# Electronic Supplementary Material (ESI) for Dalton Transactions # This journal is © The Royal Society of Chemistry 2011 data_global _journal_name_full 'Dalton Trans.' _journal_coden_cambridge 0222 #TrackingRef 'C4H28B4N1Y1_CCDC.cif' #======================================================================= _audit_creation_method 'Jana2006 Version : 23/10/2010' #======================================================================= # 2. SUBMISSION DETAILS _publ_contact_author_name "Tomasz Jaro\'n" _publ_contact_author_address # Address of author for correspondence ; University of Warsaw, Faculty of Chemistry, Pasteura 1, 02093 Warsaw, Poland ; _publ_contact_author_email tjaron@chem.uw.edu.pl _publ_contact_author_fax 48-22-5540801 _publ_contact_author_phone 48-22-5540880 _publ_requested_category QM _publ_contact_letter ; ; #======================================================================= # 3. TITLE AND AUTHOR LIST _publ_section_title ; Probing Lewis acidity of Y(BH4)3 via its reactions with MBH4 (M = Li, Na, K, NMe4) ; _publ_section_title_footnote . loop_ _publ_author_name _publ_author_address _publ_author_footnote _publ_author_email "Jaro\'n, Tomasz" ; Faculty of Chemistry, University of Warsaw, Pasteura 1, 02093 Warsaw, Poland ; . ; tjaron@chem.uw.edu.pl ; 'Grochala, Wojciech' ; Faculty of Chemistry, University of Warsaw, Pasteura 1, 02093 Warsaw, Poland; ICM, University of Warsaw, Pawi\'nskiego 5a, 02106 Warsaw, Poland ; . ; wg22@cornell.edu ; #======================================================================= # 4. TEXT _publ_section_synopsis . _publ_section_abstract ; (type here to add abstract) ; _publ_section_comment ; (type here to add) ; _publ_section_introduction ? _publ_section_experimental ? _publ_section_exptl_prep ; (type here to add preparation details) ; _publ_section_exptl_refinement ; (type here to add refinement details) ; _publ_section_exptl_solution ? _publ_section_discussion ? _publ_section_acknowledgements ; ? ; _publ_section_references ; ? ; _publ_section_figure_captions ; ; _publ_section_table_legends ? #======================================================================= data_I _database_code_depnum_ccdc_archive 'CCDC 826118' #TrackingRef 'C4H28B4N1Y1_CCDC.cif' #======================================================================= # 5. CHEMICAL DATA _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_formula_moiety 'B4 H16 Y, C4 H12 N' _chemical_formula_structural ? _chemical_formula_analytical ? _chemical_formula_iupac ? _chemical_formula_sum 'C4 H28 B4 N1 Y1' _chemical_formula_weight 222.42 _chemical_melting_point ? _chemical_compound_source ? _chemical_absolute_configuration . #======================================================================= # 6. POWDER SPECIMEN AND CRYSTAL DATA _symmetry_cell_setting orthorhombic _symmetry_space_group_name_H-M 'P n m a' _symmetry_space_group_name_Hall '-P -2xabc;-2yb;-2zac' _symmetry_Int_Tables_number 62 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 x,y,z 2 -x+1/2,-y,z+1/2 3 -x,y+1/2,-z 4 x+1/2,-y+1/2,-z+1/2 5 -x,-y,-z 6 x+1/2,y,-z+1/2 7 x,-y+1/2,z 8 -x+1/2,y+1/2,z+1/2 _cell_length_a 15.0290(10) _cell_length_b 8.5164(6) _cell_length_c 12.0811(7) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1546.29(17) _cell_formula_units_Z 4 _cell_measurement_temperature 298 _cell_special_details ; ? ; _exptl_crystal_density_diffrn 0.9551 _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_F_000 80 _pd_spec_size_axial 18 _pd_spec_size_equat 0.5 _pd_spec_size_thick ? _pd_spec_mounting 'quartz capillary' _pd_spec_mount_mode transmission _pd_spec_shape cylinder _pd_char_particle_morphology ? _pd_char_colour white _pd_prep_cool_rate ? _pd_prep_pressure ? _pd_prep_temperature 298 _exptl_absorpt_coefficient_mu 4.919 _exptl_absorpt_correction_type ? _exptl_absorpt_process_details ? _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? #======================================================================= # 7. EXPERIMENTAL DATA _exptl_special_details ? _pd_instr_location ; ? ; _pd_calibration_special_details ; ? ; _diffrn_ambient_temperature 298 _diffrn_source ? _diffrn_source_target ? _diffrn_source_type ? _diffrn_radiation_type 'Cu K\a' _diffrn_radiation_wavelength 1.5418 _diffrn_radiation_monochromator none _diffrn_measurement_device ? _diffrn_measurement_device_type 'Bruker D8 Discover' _diffrn_detector one-dimensional _diffrn_detector_type VANTEC _pd_meas_scan_method cont _pd_meas_special_details ; ? ; _pd_meas_number_of_points 5440 _pd_meas_2theta_range_min 5.000 _pd_meas_2theta_range_max 105.000 _pd_meas_2theta_range_inc 0.0183857 #======================================================================= # 8. REFINEMENT DATA _pd_proc_ls_special_details ; ? ; _pd_proc_ls_profile_function Pseudo-Voigt _pd_proc_ls_background_function '20 Legendre polynoms' _pd_proc_ls_pref_orient_corr none _pd_proc_ls_prof_R_factor 0.0104 _pd_proc_ls_prof_wR_factor 0.0144 _pd_proc_ls_prof_wR_expected 0.0073 _refine_special_details ; ? ; _refine_ls_R_factor_gt ? _refine_ls_wR_factor_gt ? _refine_ls_R_factor_all ? _refine_ls_wR_factor_ref ? _refine_ls_number_parameters 98 _refine_ls_number_restraints 79 _refine_ls_number_constraints 0 _refine_ls_weighting_scheme sigma _refine_ls_weighting_details ? _refine_ls_hydrogen_treatment refall _refine_ls_shift/su_max 0.0128 _refine_ls_shift/su_mean 0.0007 _refine_ls_extinction_method ? _refine_ls_extinction_coef ? _pd_proc_2theta_range_min 6.011 _pd_proc_2theta_range_max 105 _pd_proc_2theta_range_inc 0.0183857 loop_ _pd_proc_wavelength 1.54051 1.54433 _pd_block_diffractogram_id ? loop_ _pd_proc_info_excluded_regions 'from 5 to 6.000' _pd_proc_info_data_reduction ? loop_ _atom_type_symbol _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source Y -0.267 2.024 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1' B 0.009 0.004 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1' H 0.000 0.000 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1' N 0.031 0.018 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1' C 0.018 0.009 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1' _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution ? _computing_structure_refinement ? _computing_molecular_graphics ? _computing_publication_material ? #======================================================================= # 9. ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_adp_type _atom_site_U_iso_or_equiv _atom_site_symmetry_multiplicity _atom_site_occupancy _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Y1 Y 0.5092(3) 0.25 -0.7768(2) Uiso 0.1057(18) 4 1 d . . . B1 B 0.5514(10) 0.4886(8) 0.3154(8) Uiso 0.1057(18) 8 1 d . . . Hb11 H 0.545(6) 0.389(3) 0.3793(12) Uiso 0.1057(18) 8 1 d . . . Hb12 H 0.484(3) 0.507(4) 0.272(7) Uiso 0.1057(18) 8 1 d . . . Hb13 H 0.605(3) 0.456(6) 0.251(5) Uiso 0.1057(18) 8 1 d . . . Hb14 H 0.5716(15) 0.6028(11) 0.3595(12) Uiso 0.1057(18) 8 1 d . . . B2 B 1.3486(5) 0.25 -0.8000(16) Uiso 0.1057(18) 4 1 d . . . Hb21 H 1.2726(6) 0.25 -0.811(2) Uiso 0.1057(18) 4 1 d . . . Hb22 H 0.3696(6) 0.36025(7) 0.2484(14) Uiso 0.1057(18) 8 1 d . . . Hb23 H 1.3824(10) 0.25 -0.8853(13) Uiso 0.1057(18) 4 1 d . . . B3 B 0.5743(11) 0.25 0.0423(8) Uiso 0.1057(18) 4 1 d . . . Hb31 H 0.6054(16) 0.25 -0.0447(11) Uiso 0.1057(18) 4 1 d . . . Hb32 H 0.6299(8) 0.25 0.1077(13) Uiso 0.1057(18) 4 1 d . . . Hb33 H 0.5310(10) 0.13975(7) 0.0530(7) Uiso 0.1057(18) 8 1 d . . . N1 N 1.2253(6) 0.25 -0.1303(4) Uiso 0.1057(18) 4 1 d . . . C1 C 1.2797(7) 0.3913(5) -0.1108(6) Uiso 0.1057(18) 8 1 d . . . Hc11 H 1.304(6) 0.389(7) -0.033(3) Uiso 0.1057(18) 8 1 d . . . Hc12 H 1.241(2) 0.4887(12) -0.121(10) Uiso 0.1057(18) 8 1 d . . . Hc13 H 1.331(5) 0.394(7) -0.165(7) Uiso 0.1057(18) 8 1 d . . . C2 C 1.1455(10) 0.25 -0.0511(10) Uiso 0.1057(18) 4 1 d . . . Hc21 H 1.1084(9) 0.1538(7) -0.0644(13) Uiso 0.1057(18) 8 1 d . . . Hc22 H 1.1675(13) 0.25 -0.9721(11) Uiso 0.1057(18) 4 1 d . . . C3 C 1.1923(9) 0.25 -0.2486(8) Uiso 0.1057(18) 4 1 d . . . Hc31 H 1.1552(10) 0.3463(7) -0.2619(10) Uiso 0.1057(18) 8 1 d . . . Hc32 H 1.2443(13) 0.25 -0.3002(10) Uiso 0.1057(18) 4 1 d . . . loop_ _atom_site_aniso_label _atom_site_aniso_type_symbol _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 ? ? ? ? ? ? ? ? #======================================================================= # 10. MOLECULAR GEOMETRY loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_1 _geom_bond_site_symmetry_2 _geom_bond_distance _geom_bond_publ_flag Y1 B1 . 1_554 2.3612(15) yes Y1 B1 . 7_554 2.3612(15) yes Y1 Hb11 . 1_554 2.275(2) yes Y1 Hb11 . 7_554 2.275(2) yes Y1 Hb12 . 1_554 2.2891(2) yes Y1 Hb12 . 7_554 2.2891(2) yes Y1 Hb13 . 1_554 2.083(3) yes Y1 Hb13 . 7_554 2.083(3) yes Y1 B2 . 1_455 2.723(4) yes Y1 Hb22 . 1_554 2.530(4) yes Y1 Hb22 . 7_554 2.530(4) yes Y1 Hb23 . 1_455 2.539(3) yes Y1 B3 . 1_554 2.390(3) yes Y1 Hb32 . 1_554 2.115(3) yes Y1 Hb33 . 1_554 2.310(2) yes Y1 Hb33 . 7_554 2.310(2) yes B1 Hb11 . . 1.2515 yes B1 Hb12 . . 1.2466 yes B1 Hb13 . . 1.2427 yes B1 Hb14 . . 1.2067 yes B2 Hb21 . . 1.2097 yes B2 Hb22 . 1_654 1.2434 yes B2 Hb22 . 7_654 1.2434 yes B2 Hb23 . . 1.241 yes B3 Hb31 . . 1.2067 yes B3 Hb32 . . 1.2425 yes B3 Hb33 . . 1.2507 yes B3 Hb33 . 7_555 1.2507 yes N1 C1 . . 1.464(8) yes N1 C1 . 7_555 1.464(8) yes N1 C2 . . 1.502(15) yes N1 C3 . . 1.520(12) yes C1 Hc11 . . 1.00(7) yes C1 Hc12 . . 1.002(18) yes C1 Hc13 . . 1.01(7) yes C2 Hc21 . . 1.001(12) yes C2 Hc21 . 7_555 1.001(12) yes C2 Hc22 . 1_556 1.00(2) yes C3 Hc31 . . 0.997(14) yes C3 Hc31 . 7_555 0.997(14) yes C3 Hc32 . . 1.00(2) yes loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_2 _geom_angle_site_symmetry_3 _geom_angle _geom_angle_publ_flag B1 Y1 B1 1_554 . 7_554 115.4(4) ? B1 Y1 Hb11 1_554 . 1_554 28.2(6) ? B1 Y1 Hb11 1_554 . 7_554 89.3(8) ? B1 Y1 Hb12 1_554 . 1_554 28.2(16) ? B1 Y1 Hb12 1_554 . 7_554 136(2) ? B1 Y1 Hb13 1_554 . 1_554 28.2(16) ? B1 Y1 Hb13 1_554 . 7_554 114.8(16) ? B1 Y1 B2 1_554 . 1_455 108.4(4) ? B1 Y1 Hb22 1_554 . 1_554 80.5(4) ? B1 Y1 Hb22 1_554 . 7_554 121.3(4) ? B1 Y1 Hb23 1_554 . 1_455 118.7(3) ? B1 Y1 B3 1_554 . 1_554 108.7(3) ? B1 Y1 Hb32 1_554 . 1_554 94.5(4) ? B1 Y1 Hb33 1_554 . 1_554 137.0(4) ? B1 Y1 Hb33 1_554 . 7_554 92.1(3) ? B1 Y1 Hb11 7_554 . 1_554 89.3(8) ? B1 Y1 Hb11 7_554 . 7_554 28.2(6) ? B1 Y1 Hb12 7_554 . 1_554 136(2) ? B1 Y1 Hb12 7_554 . 7_554 28.2(16) ? B1 Y1 Hb13 7_554 . 1_554 114.8(16) ? B1 Y1 Hb13 7_554 . 7_554 28.2(16) ? B1 Y1 B2 7_554 . 1_455 108.4(4) ? B1 Y1 Hb22 7_554 . 1_554 121.3(4) ? B1 Y1 Hb22 7_554 . 7_554 80.5(4) ? B1 Y1 Hb23 7_554 . 1_455 118.7(3) ? B1 Y1 B3 7_554 . 1_554 108.7(3) ? B1 Y1 Hb32 7_554 . 1_554 94.5(4) ? B1 Y1 Hb33 7_554 . 1_554 92.1(3) ? B1 Y1 Hb33 7_554 . 7_554 137.0(4) ? Hb11 Y1 Hb11 1_554 . 7_554 61.9(9) ? Hb11 Y1 Hb12 1_554 . 1_554 48(2) ? Hb11 Y1 Hb12 1_554 . 7_554 108(2) ? Hb11 Y1 Hb13 1_554 . 1_554 48(2) ? Hb11 Y1 Hb13 1_554 . 7_554 97(2) ? Hb11 Y1 B2 1_554 . 1_455 110(2) ? Hb11 Y1 Hb22 1_554 . 1_554 84(2) ? Hb11 Y1 Hb22 1_554 . 7_554 109(2) ? Hb11 Y1 Hb23 1_554 . 1_455 132(2) ? Hb11 Y1 B3 1_554 . 1_554 131.0(18) ? Hb11 Y1 Hb32 1_554 . 1_554 108(2) ? Hb11 Y1 Hb33 1_554 . 1_554 157(2) ? Hb11 Y1 Hb33 1_554 . 7_554 119.8(9) ? Hb11 Y1 Hb12 7_554 . 1_554 108(2) ? Hb11 Y1 Hb12 7_554 . 7_554 48(2) ? Hb11 Y1 Hb13 7_554 . 1_554 97(2) ? Hb11 Y1 Hb13 7_554 . 7_554 48(2) ? Hb11 Y1 B2 7_554 . 1_455 110(2) ? Hb11 Y1 Hb22 7_554 . 1_554 109(2) ? Hb11 Y1 Hb22 7_554 . 7_554 84(2) ? Hb11 Y1 Hb23 7_554 . 1_455 132(2) ? Hb11 Y1 B3 7_554 . 1_554 131.0(18) ? Hb11 Y1 Hb32 7_554 . 1_554 108(2) ? Hb11 Y1 Hb33 7_554 . 1_554 119.8(9) ? Hb11 Y1 Hb33 7_554 . 7_554 157(2) ? Hb12 Y1 Hb12 1_554 . 7_554 144(3) ? Hb12 Y1 Hb13 1_554 . 1_554 48.4(19) ? Hb12 Y1 Hb13 1_554 . 7_554 143(2) ? Hb12 Y1 B2 1_554 . 1_455 82.2(14) ? Hb12 Y1 Hb22 1_554 . 1_554 55.2(13) ? Hb12 Y1 Hb22 1_554 . 7_554 101.4(14) ? Hb12 Y1 Hb23 1_554 . 1_455 90.6(16) ? Hb12 Y1 B3 1_554 . 1_554 108.0(19) ? Hb12 Y1 Hb32 1_554 . 1_554 107.1(16) ? Hb12 Y1 Hb33 1_554 . 1_554 131(2) ? Hb12 Y1 Hb33 1_554 . 7_554 83(2) ? Hb12 Y1 Hb13 7_554 . 1_554 143(2) ? Hb12 Y1 Hb13 7_554 . 7_554 48.4(19) ? Hb12 Y1 B2 7_554 . 1_455 82.2(14) ? Hb12 Y1 Hb22 7_554 . 1_554 101.4(14) ? Hb12 Y1 Hb22 7_554 . 7_554 55.2(13) ? Hb12 Y1 Hb23 7_554 . 1_455 90.6(16) ? Hb12 Y1 B3 7_554 . 1_554 108.0(19) ? Hb12 Y1 Hb32 7_554 . 1_554 107.1(16) ? Hb12 Y1 Hb33 7_554 . 1_554 83(2) ? Hb12 Y1 Hb33 7_554 . 7_554 131(2) ? Hb13 Y1 Hb13 1_554 . 7_554 101(2) ? Hb13 Y1 B2 1_554 . 1_455 129.4(14) ? Hb13 Y1 Hb22 1_554 . 1_554 103.4(14) ? Hb13 Y1 Hb22 1_554 . 7_554 148.9(15) ? Hb13 Y1 Hb23 1_554 . 1_455 126.4(15) ? Hb13 Y1 B3 1_554 . 1_554 83.2(17) ? Hb13 Y1 Hb32 1_554 . 1_554 66.3(16) ? Hb13 Y1 Hb33 1_554 . 1_554 111.1(17) ? Hb13 Y1 Hb33 1_554 . 7_554 74.2(17) ? Hb13 Y1 B2 7_554 . 1_455 129.4(14) ? Hb13 Y1 Hb22 7_554 . 1_554 148.9(15) ? Hb13 Y1 Hb22 7_554 . 7_554 103.4(14) ? Hb13 Y1 Hb23 7_554 . 1_455 126.4(15) ? Hb13 Y1 B3 7_554 . 1_554 83.2(17) ? Hb13 Y1 Hb32 7_554 . 1_554 66.3(16) ? Hb13 Y1 Hb33 7_554 . 1_554 74.2(17) ? Hb13 Y1 Hb33 7_554 . 7_554 111.1(17) ? B2 Y1 Hb22 1_455 . 1_554 27.9(3) ? B2 Y1 Hb22 1_455 . 7_554 27.9(3) ? B2 Y1 Hb23 1_455 . 1_455 27.9(6) ? B2 Y1 B3 1_455 . 1_554 107.0(6) ? B2 Y1 Hb32 1_455 . 1_554 135.4(6) ? B2 Y1 Hb33 1_455 . 1_554 91.8(6) ? B2 Y1 Hb33 1_455 . 7_554 91.8(6) ? Hb22 Y1 Hb22 1_554 . 7_554 47.78(15) ? Hb22 Y1 Hb23 1_554 . 1_455 47.8(5) ? Hb22 Y1 B3 1_554 . 1_554 118.9(5) ? Hb22 Y1 Hb32 1_554 . 1_554 142.5(5) ? Hb22 Y1 Hb33 1_554 . 1_554 114.1(6) ? Hb22 Y1 Hb33 1_554 . 7_554 94.3(5) ? Hb22 Y1 Hb23 7_554 . 1_455 47.8(5) ? Hb22 Y1 B3 7_554 . 1_554 118.9(5) ? Hb22 Y1 Hb32 7_554 . 1_554 142.5(5) ? Hb22 Y1 Hb33 7_554 . 1_554 94.3(5) ? Hb22 Y1 Hb33 7_554 . 7_554 114.1(6) ? Hb23 Y1 B3 1_455 . 1_554 79.1(5) ? Hb23 Y1 Hb32 1_455 . 1_554 107.4(5) ? Hb23 Y1 Hb33 1_455 . 1_554 66.5(5) ? Hb23 Y1 Hb33 1_455 . 7_554 66.5(5) ? B3 Y1 Hb32 1_554 . 1_554 28.3(5) ? B3 Y1 Hb33 1_554 . 1_554 28.3(3) ? B3 Y1 Hb33 1_554 . 7_554 28.3(3) ? Hb32 Y1 Hb33 1_554 . 1_554 48.5(5) ? Hb32 Y1 Hb33 1_554 . 7_554 48.5(5) ? Hb33 Y1 Hb33 1_554 . 7_554 48.56(14) ? Y1 B1 Hb11 1_556 . . 70.5(16) ? Y1 B1 Hb12 1_556 . . 71(2) ? Y1 B1 Hb13 1_556 . . 70(3) ? Y1 B1 Hb14 1_556 . . 180.0(5) ? Hb11 B1 Hb12 . . . 109(5) ? Hb11 B1 Hb13 . . . 109(5) ? Hb11 B1 Hb14 . . . 109.5(18) ? Hb12 B1 Hb13 . . . 109(5) ? Hb12 B1 Hb14 . . . 109(2) ? Hb13 B1 Hb14 . . . 109(3) ? Y1 Hb11 B1 1_556 . . 81.2(13) ? Y1 Hb12 B1 1_556 . . 81(2) ? Y1 Hb13 B1 1_556 . . 81(3) ? Y1 B2 Hb21 1_655 . . 180(2) ? Y1 B2 Hb22 1_655 . 1_654 70.6(6) ? Y1 B2 Hb22 1_655 . 7_654 70.6(6) ? Y1 B2 Hb23 1_655 . . 70.3(9) ? Hb21 B2 Hb22 . . 1_654 109.5(11) ? Hb21 B2 Hb22 . . 7_654 109.5(11) ? Hb21 B2 Hb23 . . . 109(2) ? Hb22 B2 Hb22 1_654 . 7_654 109.5(17) ? Hb22 B2 Hb23 1_654 . . 109.5(10) ? Hb22 B2 Hb23 7_654 . . 109.5(10) ? Y1 Hb22 B2 1_556 . 1_456 81.5(6) ? Y1 Hb23 B2 1_655 . . 81.7(10) ? Y1 B3 Hb31 1_556 . . 179.9(16) ? Y1 B3 Hb32 1_556 . . 70.7(9) ? Y1 B3 Hb33 1_556 . . 70.5(7) ? Y1 B3 Hb33 1_556 . 7_555 70.5(7) ? Hb31 B3 Hb32 . . . 109.5(19) ? Hb31 B3 Hb33 . . . 109.5(9) ? Hb31 B3 Hb33 . . 7_555 109.5(9) ? Hb32 B3 Hb33 . . . 109.5(9) ? Hb32 B3 Hb33 . . 7_555 109.5(9) ? Hb33 B3 Hb33 . . 7_555 109.5(16) ? Y1 Hb32 B3 1_556 . . 81.0(9) ? Y1 Hb33 B3 1_556 . . 81.2(6) ? C1 N1 C1 . . 7_555 109.5(7) ? C1 N1 C2 . . . 109.5(5) ? C1 N1 C3 . . . 109.5(4) ? C1 N1 C2 7_555 . . 109.5(5) ? C1 N1 C3 7_555 . . 109.5(4) ? C2 N1 C3 . . . 109.5(9) ? N1 C1 Hc11 . . . 109(4) ? N1 C1 Hc12 . . . 109(2) ? N1 C1 Hc13 . . . 109(4) ? Hc11 C1 Hc12 . . . 109(8) ? Hc11 C1 Hc13 . . . 109(7) ? Hc12 C1 Hc13 . . . 109(6) ? N1 C2 Hc21 . . . 109.5(11) ? N1 C2 Hc21 . . 7_555 109.5(11) ? N1 C2 Hc22 . . 1_556 109.5(15) ? Hc21 C2 Hc21 . . 7_555 109.5(15) ? Hc21 C2 Hc22 . . 1_556 109.5(12) ? Hc21 C2 Hc22 7_555 . 1_556 109.5(12) ? N1 C3 Hc31 . . . 109.5(8) ? N1 C3 Hc31 . . 7_555 109.5(8) ? N1 C3 Hc32 . . . 109.5(13) ? Hc31 C3 Hc31 . . 7_555 109.5(16) ? Hc31 C3 Hc32 . . . 109.5(10) ? Hc31 C3 Hc32 7_555 . . 109.5(10) ? 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_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion _geom_torsion_publ_flag ? ? ? ? ? ? ? ? ? ? loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_site_symmetry_D _geom_hbond_site_symmetry_H _geom_hbond_site_symmetry_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA _geom_hbond_publ_flag ? ? ? ? ? ? ? ? ? ? ? #======================================================================= # 11. POWDER PROFILE loop_ _pd_proc_point_id _pd_proc_2theta_corrected _pd_proc_intensity_net _pd_calc_intensity_net _pd_proc_ls_weight 1 6.0341 73752.00 74668.20 271.57 2 6.0525 74003.00 74571.70 272.04 3 6.0709 73799.00 74476.20 271.66 4 6.0893 74011.00 74381.70 272.05 5 6.1077 73961.00 74288.10 271.96 6 6.1260 74090.00 74196.00 272.20 7 6.1444 73198.00 74104.20 270.55 8 6.1628 73782.00 74013.40 271.63 9 6.1812 73514.00 73923.50 271.14 10 6.1996 72889.00 73834.40 269.98 11 6.2180 74247.00 73746.20 272.48 12 6.2364 73481.00 73658.90 271.07 13 6.2547 73357.00 73572.80 270.85 14 6.2731 73281.00 73487.10 270.70 15 6.2915 72905.00 73402.20 270.01 16 6.3099 73251.00 73318.10 270.65 17 6.3283 72648.00 73234.70 269.53 18 6.3467 73268.00 73152.10 270.68 19 6.3651 72818.00 73070.30 269.85 20 6.3834 72826.00 72989.60 269.86 21 6.4018 73258.00 72909.20 270.66 22 6.4202 72931.00 72829.50 270.06 23 6.4386 72825.00 72750.50 269.86 24 6.4570 72932.00 72672.20 270.06 25 6.4754 72396.00 72594.50 269.07 26 6.4938 72429.00 72517.40 269.13 27 6.5121 72469.00 72441.50 269.20 28 6.5305 72583.00 72365.70 269.41 29 6.5489 71974.00 72290.60 268.28 30 6.5673 72064.00 72216.00 268.45 31 6.5857 72585.00 72142.10 269.42 32 6.6041 71979.00 72068.70 268.29 33 6.6225 72074.00 71995.90 268.47 34 6.6408 72309.00 71924.00 268.90 35 6.6592 72681.00 71852.30 269.59 36 6.6776 71926.00 71781.10 268.19 37 6.6960 71935.00 71710.50 268.21 38 6.7144 71682.00 71640.30 267.73 39 6.7328 72289.00 71570.70 268.87 40 6.7512 71449.00 71501.50 267.30 41 6.7695 71720.00 71433.20 267.81 42 6.7879 71849.00 71365.00 268.05 43 6.8063 71608.00 71297.30 267.60 44 6.8247 71520.00 71230.00 267.43 45 6.8431 71278.00 71163.20 266.98 46 6.8615 71213.00 71096.80 266.86 47 6.8799 71105.00 71030.80 266.65 48 6.8982 71072.00 70965.50 266.59 49 6.9166 71070.00 70900.40 266.59 50 6.9350 71425.00 70835.60 267.26 51 6.9534 71055.00 70771.20 266.56 52 6.9718 70628.00 70707.20 265.76 53 6.9902 71137.00 70643.50 266.71 54 7.0086 70732.00 70580.30 265.95 55 7.0269 70761.00 70517.70 266.01 56 7.0453 71023.00 70455.10 266.50 57 7.0637 71295.00 70392.90 267.01 58 7.0821 70594.00 70331.00 265.70 59 7.1005 70533.00 70269.40 265.58 60 7.1189 70358.00 70208.10 265.25 61 7.1373 70316.00 70147.10 265.17 62 7.1556 69902.00 70086.80 264.39 63 7.1740 70460.00 70026.40 265.44 64 7.1924 70302.00 69966.30 265.14 65 7.2108 70362.00 69906.50 265.26 66 7.2292 70249.00 69846.90 265.05 67 7.2476 70375.00 69787.60 265.28 68 7.2660 69638.00 69728.60 263.89 69 7.2843 69967.00 69670.20 264.51 70 7.3027 69812.00 69611.70 264.22 71 7.3211 70098.00 69553.40 264.76 72 7.3395 69482.00 69495.30 263.59 73 7.3579 69886.00 69437.50 264.36 74 7.3763 69644.00 69379.90 263.90 75 7.3947 69732.00 69322.50 264.07 76 7.4130 69465.00 69265.70 263.56 77 7.4314 69436.00 69208.70 263.51 78 7.4498 69382.00 69151.90 263.40 79 7.4682 69157.00 69095.30 262.98 80 7.4866 69138.00 69038.90 262.94 81 7.5050 69525.00 68982.80 263.68 82 7.5234 69128.00 68926.70 262.92 83 7.5417 69026.00 68871.20 262.73 84 7.5601 69379.00 68815.50 263.40 85 7.5785 69016.00 68760.00 262.71 86 7.5969 68839.00 68704.60 262.37 87 7.6153 68502.00 68649.40 261.73 88 7.6337 68522.00 68594.30 261.77 89 7.6521 68545.00 68539.40 261.81 90 7.6704 68441.00 68484.90 261.61 91 7.6888 68753.00 68430.30 262.21 92 7.7072 68348.00 68375.80 261.43 93 7.7256 68748.00 68321.40 262.20 94 7.7440 68128.00 68267.20 261.01 95 7.7624 68436.00 68213.10 261.60 96 7.7808 68496.00 68159.00 261.72 97 7.7991 68508.00 68105.40 261.74 98 7.8175 67715.00 68051.70 260.22 99 7.8359 67751.00 67998.00 260.29 100 7.8543 67965.00 67944.40 260.70 101 7.8727 67701.00 67890.90 260.19 102 7.8911 67902.00 67837.60 260.58 103 7.9095 68057.00 67784.30 260.88 104 7.9278 67799.00 67731.40 260.38 105 7.9462 67451.00 67678.30 259.71 106 7.9646 67834.00 67625.30 260.45 107 7.9830 68052.00 67572.40 260.87 108 8.0014 67365.00 67519.60 259.55 109 8.0198 67596.00 67466.80 259.99 110 8.0382 67388.00 67414.10 259.59 111 8.0565 67306.00 67361.80 259.43 112 8.0749 66874.00 67309.20 258.60 113 8.0933 67797.00 67256.80 260.38 114 8.1117 67159.00 67204.40 259.15 115 8.1301 67091.00 67152.00 259.02 116 8.1485 67266.00 67099.80 259.36 117 8.1669 67440.00 67047.60 259.69 118 8.1852 66984.00 66995.70 258.81 119 8.2036 66773.00 66943.60 258.40 120 8.2220 66875.00 66891.60 258.60 121 8.2404 67069.00 66845.30 258.98 122 8.2588 66749.00 66793.50 258.36 123 8.2772 66469.00 66744.50 257.82 124 8.2956 66810.00 66692.80 258.48 125 8.3139 66552.00 66641.40 257.98 126 8.3323 66397.00 66589.90 257.68 127 8.3507 66244.00 66538.30 257.38 128 8.3691 66307.00 66486.80 257.50 129 8.3875 66423.00 66435.40 257.73 130 8.4059 66652.00 66384.00 258.17 131 8.4243 65943.00 66332.70 256.79 132 8.4426 66546.00 66281.80 257.96 133 8.4610 65999.00 66230.60 256.90 134 8.4794 66011.00 66179.40 256.93 135 8.4978 65999.00 66128.40 256.90 136 8.5162 66719.00 66077.40 258.30 137 8.5346 66120.00 66026.40 257.14 138 8.5530 65985.00 65975.60 256.88 139 8.5713 66006.00 65925.10 256.92 140 8.5897 65511.00 65874.40 255.95 141 8.6081 65865.00 65823.80 256.64 142 8.6265 64977.00 65773.30 254.91 143 8.6449 65824.00 65722.90 256.56 144 8.6633 65699.00 65672.70 256.32 145 8.6817 65269.00 65622.60 255.48 146 8.7000 65938.00 65572.90 256.78 147 8.7184 65348.00 65523.20 255.63 148 8.7368 65169.00 65473.80 255.28 149 8.7552 65389.00 65424.50 255.71 150 8.7736 65442.00 65375.60 255.82 151 8.7920 65186.00 65327.10 255.32 152 8.8104 65201.00 65278.90 255.35 153 8.8287 65462.00 65231.50 255.85 154 8.8471 65404.00 65184.40 255.74 155 8.8655 64997.00 65137.90 254.95 156 8.8839 64843.00 65092.10 254.64 157 8.9023 65371.00 65047.20 255.68 158 8.9207 65311.00 65003.40 255.56 159 8.9391 65354.00 64960.90 255.64 160 8.9574 64640.00 64920.20 254.24 161 8.9758 64717.00 64881.30 254.40 162 8.9942 64591.00 64845.10 254.15 163 9.0126 64782.00 64812.20 254.52 164 9.0310 64371.00 64783.40 253.71 165 9.0494 64578.00 64759.70 254.12 166 9.0678 64910.00 64742.10 254.77 167 9.0861 63826.00 64731.60 252.64 168 9.1045 64416.00 64729.00 253.80 169 9.1229 64519.00 64735.20 254.01 170 9.1413 64050.00 64750.60 253.08 171 9.1597 64345.00 64775.40 253.66 172 9.1781 64920.00 64809.60 254.79 173 9.1965 64299.00 64852.80 253.57 174 9.2148 64640.00 64904.30 254.24 175 9.2332 64414.00 64964.30 253.80 176 9.2516 64786.00 65044.90 254.53 177 9.2700 64652.00 65118.90 254.27 178 9.2884 64425.00 65204.20 253.82 179 9.3068 65212.00 65284.70 255.37 180 9.3252 64689.00 65361.80 254.34 181 9.3435 64810.00 65428.20 254.58 182 9.3619 65195.00 65475.40 255.33 183 9.3803 65103.00 65493.40 255.15 184 9.3987 64974.00 65473.60 254.90 185 9.4171 64832.00 65410.80 254.62 186 9.4355 64800.00 65304.40 254.56 187 9.4539 64891.00 65158.20 254.74 188 9.4722 63926.00 64980.60 252.84 189 9.4906 63716.00 64778.80 252.42 190 9.5090 63782.00 64563.70 252.55 191 9.5274 63235.00 64344.70 251.47 192 9.5458 63424.00 64129.80 251.84 193 9.5642 63209.00 63925.50 251.41 194 9.5826 62959.00 63736.20 250.92 195 9.6009 63370.00 63565.40 251.73 196 9.6193 62919.00 63411.90 250.84 197 9.6377 63311.00 63276.40 251.62 198 9.6561 63525.00 63157.20 252.04 199 9.6745 63179.00 63052.40 251.35 200 9.6929 62931.00 62959.60 250.86 201 9.7113 62675.00 62876.60 250.35 202 9.7296 62452.00 62801.70 249.90 203 9.7480 62306.00 62732.50 249.61 204 9.7664 61955.00 62667.80 248.91 205 9.7848 62625.00 62606.60 250.25 206 9.8032 62334.00 62547.90 249.67 207 9.8216 62474.00 62491.10 249.95 208 9.8400 62364.00 62435.70 249.73 209 9.8583 62168.00 62381.60 249.34 210 9.8767 61753.00 62327.80 248.50 211 9.8951 62175.00 62274.60 249.35 212 9.9135 62375.00 62221.70 249.75 213 9.9319 61978.00 62169.00 248.95 214 9.9503 62031.00 62116.50 249.06 215 9.9687 61648.00 62064.10 248.29 216 9.9870 61814.00 62012.10 248.62 217 10.0054 61678.00 61960.00 248.35 218 10.0238 62324.00 61907.90 249.65 219 10.0422 61120.00 61855.90 247.23 220 10.0606 61756.00 61804.10 248.51 221 10.0790 61431.00 61752.30 247.85 222 10.0974 61213.00 61700.70 247.41 223 10.1157 61957.00 61649.40 248.91 224 10.1341 61168.00 61598.00 247.32 225 10.1525 61425.00 61546.80 247.84 226 10.1709 60922.00 61495.70 246.82 227 10.1893 61313.00 61444.70 247.62 228 10.2077 61039.00 61393.80 247.06 229 10.2261 61521.00 61343.10 248.03 230 10.2444 60849.00 61292.80 246.68 231 10.2628 60775.00 61242.30 246.53 232 10.2812 61292.00 61192.00 247.57 233 10.2996 61160.00 61141.80 247.30 234 10.3180 60113.00 61091.80 245.18 235 10.3364 60857.00 61041.90 246.69 236 10.3548 61014.00 60992.10 247.01 237 10.3731 60996.00 60942.80 246.97 238 10.3915 61012.00 60893.30 247.01 239 10.4099 60849.00 60843.90 246.68 240 10.4283 60412.00 60794.70 245.79 241 10.4467 60495.00 60745.70 245.96 242 10.4651 60674.00 60696.80 246.32 243 10.4835 60250.00 60648.00 245.46 244 10.5018 60417.00 60599.80 245.80 245 10.5202 60489.00 60551.30 245.95 246 10.5386 60124.00 60503.10 245.20 247 10.5570 60594.00 60455.00 246.16 248 10.5754 60326.00 60407.10 245.61 249 10.5938 60232.00 60359.30 245.42 250 10.6122 60239.00 60311.80 245.44 251 10.6305 60003.00 60264.70 244.96 252 10.6489 60190.00 60225.70 245.34 253 10.6673 60104.00 60178.90 245.16 254 10.6857 60064.00 60136.30 245.08 255 10.7041 60468.00 60089.90 245.90 256 10.7225 60095.00 60043.80 245.14 257 10.7409 60305.00 59998.00 245.57 258 10.7592 59686.00 59952.60 244.31 259 10.7776 59648.00 59907.30 244.23 260 10.7960 59761.00 59862.30 244.46 261 10.8144 59981.00 59817.70 244.91 262 10.8328 59912.00 59773.30 244.77 263 10.8512 59270.00 59729.30 243.45 264 10.8696 59647.00 59685.60 244.23 265 10.8879 59693.00 59642.60 244.32 266 10.9063 59601.00 59599.80 244.13 267 10.9247 59657.00 59557.40 244.25 268 10.9431 59454.00 59515.50 243.83 269 10.9615 59991.00 59474.10 244.93 270 10.9799 58999.00 59433.30 242.90 271 10.9983 59563.00 59393.10 244.05 272 11.0166 59051.00 59353.80 243.00 273 11.0350 59548.00 59315.00 244.02 274 11.0534 59483.00 59277.10 243.89 275 11.0718 59205.00 59240.10 243.32 276 11.0902 59296.00 59204.30 243.51 277 11.1086 59565.00 59169.70 244.06 278 11.1270 59259.00 59136.50 243.43 279 11.1453 59209.00 59105.10 243.33 280 11.1637 59067.00 59075.50 243.04 281 11.1821 58766.00 59048.00 242.42 282 11.2005 58965.00 59023.10 242.83 283 11.2189 59061.00 59000.90 243.02 284 11.2373 59252.00 58982.10 243.42 285 11.2557 59195.00 58967.00 243.30 286 11.2740 59191.00 58956.40 243.29 287 11.2924 59646.00 58950.60 244.23 288 11.3108 58908.00 58950.80 242.71 289 11.3292 59210.00 58973.70 243.33 290 11.3476 59264.00 58989.60 243.44 291 11.3660 59518.00 59015.90 243.96 292 11.3844 59153.00 59063.20 243.21 293 11.4027 59263.00 59118.60 243.44 294 11.4211 59642.00 59194.80 244.22 295 11.4395 59657.00 59296.40 244.25 296 11.4579 59576.00 59428.90 244.08 297 11.4763 60078.00 59598.60 245.11 298 11.4947 60059.00 59811.40 245.07 299 11.5131 60053.00 60073.10 245.06 300 11.5314 60495.00 60386.60 245.96 301 11.5498 60926.00 60758.90 246.83 302 11.5682 61408.00 61190.60 247.81 303 11.5866 61229.00 61682.60 247.45 304 11.6050 62517.00 62234.30 250.03 305 11.6234 62321.00 62843.90 249.64 306 11.6418 63043.00 63507.50 251.08 307 11.6601 64095.00 64213.50 253.17 308 11.6785 65207.00 64955.60 255.36 309 11.6969 66421.00 65705.90 257.72 310 11.7153 67477.00 66426.20 259.76 311 11.7337 69039.00 67063.90 262.75 312 11.7521 69881.00 67556.10 264.35 313 11.7705 71555.00 67841.00 267.50 314 11.7888 70803.00 67873.40 266.09 315 11.8072 69891.00 67636.90 264.37 316 11.8256 68594.00 67146.20 261.90 317 11.8440 66891.00 66444.10 258.63 318 11.8624 63942.00 65589.20 252.87 319 11.8808 63213.00 64644.50 251.42 320 11.8992 61515.00 63668.80 248.02 321 11.9175 60167.00 62717.00 245.29 322 11.9359 59309.00 61817.20 243.53 323 11.9543 58883.00 61001.20 242.66 324 11.9727 58808.00 60284.60 242.50 325 11.9911 58262.00 59672.50 241.38 326 12.0095 58306.00 59162.70 241.47 327 12.0279 58365.00 58747.30 241.59 328 12.0462 57762.00 58417.00 240.34 329 12.0646 57849.00 58155.80 240.52 330 12.0830 57734.00 57953.70 240.28 331 12.1014 57238.00 57799.90 239.24 332 12.1198 57909.00 57684.90 240.64 333 12.1382 58146.00 57601.30 241.13 334 12.1566 58011.00 57543.40 240.85 335 12.1749 58180.00 57507.00 241.21 336 12.1933 58099.00 57488.70 241.04 337 12.2117 57840.00 57486.90 240.50 338 12.2301 57950.00 57500.90 240.73 339 12.2485 58048.00 57530.60 240.93 340 12.2669 58071.00 57576.90 240.98 341 12.2853 58544.00 57641.80 241.96 342 12.3036 58110.00 57727.60 241.06 343 12.3220 58876.00 57839.60 242.64 344 12.3404 58741.00 57983.20 242.37 345 12.3588 59361.00 58166.10 243.64 346 12.3772 59725.00 58397.60 244.39 347 12.3956 59828.00 58689.00 244.60 348 12.4140 60180.00 59053.00 245.32 349 12.4323 60794.00 59500.10 246.56 350 12.4507 61897.00 60048.30 248.79 351 12.4691 62334.00 60710.80 249.67 352 12.4875 63416.00 61491.20 251.82 353 12.5059 64114.00 62400.40 253.21 354 12.5243 65329.00 63444.40 255.60 355 12.5427 66534.00 64621.80 257.94 356 12.5610 67847.00 65930.80 260.48 357 12.5794 68249.00 67368.60 261.24 358 12.5978 70220.00 68922.70 264.99 359 12.6162 71765.00 70560.00 267.89 360 12.6346 72945.00 72233.50 270.08 361 12.6530 74354.00 73862.20 272.68 362 12.6714 76192.00 75331.10 276.03 363 12.6897 76452.00 76493.40 276.50 364 12.7081 76981.00 77219.50 277.45 365 12.7265 77055.00 77392.70 277.59 366 12.7449 76648.00 76968.50 276.85 367 12.7633 75757.00 75978.70 275.24 368 12.7817 73759.00 74518.80 271.59 369 12.8001 72209.00 72721.10 268.72 370 12.8184 69708.00 70739.00 264.02 371 12.8368 67943.00 68680.70 260.66 372 12.8552 66096.00 66665.70 257.09 373 12.8736 65066.00 64776.00 255.08 374 12.8920 63115.00 63067.00 251.23 375 12.9104 62247.00 61568.80 249.49 376 12.9288 60887.00 60291.10 246.75 377 12.9471 59978.00 59232.20 244.90 378 12.9655 59617.00 58362.40 244.17 379 12.9839 58857.00 57663.50 242.60 380 13.0023 58343.00 57108.50 241.54 381 13.0207 57516.00 56671.00 239.82 382 13.0391 57248.00 56326.90 239.27 383 13.0575 56889.00 56055.60 238.51 384 13.0758 56459.00 55841.00 237.61 385 13.0942 55922.00 55667.20 236.48 386 13.1126 56336.00 55523.90 237.35 387 13.1310 55680.00 55404.20 235.97 388 13.1494 55245.00 55301.80 235.04 389 13.1678 55431.00 55211.80 235.44 390 13.1862 55474.00 55130.90 235.53 391 13.2045 55350.00 55057.10 235.27 392 13.2229 55131.00 54988.00 234.80 393 13.2413 55398.00 54923.00 235.37 394 13.2597 54833.00 54861.40 234.16 395 13.2781 54739.00 54802.90 233.96 396 13.2965 54660.00 54747.20 233.79 397 13.3149 54575.00 54694.40 233.61 398 13.3332 54418.00 54644.90 233.28 399 13.3516 54683.00 54598.10 233.84 400 13.3700 54831.00 54554.70 234.16 401 13.3884 54288.00 54514.80 233.00 402 13.4068 54667.00 54478.70 233.81 403 13.4252 54317.00 54446.70 233.06 404 13.4436 54684.00 54419.20 233.85 405 13.4619 54447.00 54396.80 233.34 406 13.4803 54288.00 54379.60 233.00 407 13.4987 54386.00 54368.40 233.21 408 13.5171 54618.00 54363.70 233.71 409 13.5355 54477.00 54366.30 233.40 410 13.5539 54576.00 54377.10 233.62 411 13.5723 54779.00 54397.20 234.05 412 13.5906 54562.00 54427.70 233.59 413 13.6090 54701.00 54470.80 233.88 414 13.6274 54687.00 54528.70 233.85 415 13.6458 54489.00 54604.40 233.43 416 13.6642 55016.00 54701.60 234.55 417 13.6826 54928.00 54825.30 234.37 418 13.7010 55175.00 54981.30 234.89 419 13.7193 55305.00 55175.30 235.17 420 13.7377 55485.00 55416.80 235.55 421 13.7561 56110.00 55712.50 236.88 422 13.7745 56216.00 56069.90 237.10 423 13.7929 56712.00 56495.70 238.14 424 13.8113 57196.00 56995.40 239.16 425 13.8297 57832.00 57572.80 240.48 426 13.8480 57739.00 58226.30 240.29 427 13.8664 58870.00 58963.50 242.63 428 13.8848 59545.00 59778.50 244.02 429 13.9032 60352.00 60663.90 245.67 430 13.9216 60929.00 61604.30 246.84 431 13.9400 61999.00 62569.70 249.00 432 13.9584 62625.00 63510.90 250.25 433 13.9767 63439.00 64352.20 251.87 434 13.9951 64850.00 65016.40 254.66 435 14.0135 64437.00 65412.60 253.84 436 14.0319 64393.00 65479.60 253.76 437 14.0503 64660.00 65199.20 254.28 438 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39198.80 198.46 924 23.0041 39609.00 39137.90 199.02 925 23.0225 39465.00 39061.10 198.66 926 23.0409 39305.00 38958.70 198.26 927 23.0593 39158.00 38820.70 197.88 928 23.0777 38895.00 38642.70 197.22 929 23.0960 38696.00 38429.40 196.71 930 23.1144 38503.00 38187.90 196.22 931 23.1328 37642.00 37937.30 194.01 932 23.1512 37554.00 37681.80 193.79 933 23.1696 37555.00 37438.60 193.79 934 23.1880 36778.00 37219.10 191.78 935 23.2064 36883.00 37023.20 192.05 936 23.2247 36624.00 36856.00 191.37 937 23.2431 36469.00 36715.10 190.97 938 23.2615 36225.00 36599.90 190.33 939 23.2799 36558.00 36508.40 191.20 940 23.2983 36426.00 36438.40 190.86 941 23.3167 35834.00 36388.30 189.30 942 23.3351 36105.00 36360.20 190.01 943 23.3534 35873.00 36346.00 189.40 944 23.3718 35861.00 36349.00 189.37 945 23.3902 36139.00 36370.90 190.10 946 23.4086 36316.00 36409.20 190.57 947 23.4270 36121.00 36467.00 190.05 948 23.4454 36294.00 36546.30 190.51 949 23.4638 36033.00 36650.00 189.82 950 23.4821 35919.00 36780.60 189.52 951 23.5005 36263.00 36943.70 190.43 952 23.5189 36499.00 37142.80 191.05 953 23.5373 36826.00 37381.70 191.90 954 23.5557 37340.00 37662.00 193.24 955 23.5741 37492.00 37981.20 193.63 956 23.5925 38012.00 38328.70 194.97 957 23.6108 38634.00 38681.20 196.55 958 23.6292 38875.00 39009.80 197.17 959 23.6476 39822.00 39271.60 199.55 960 23.6660 40047.00 39429.50 200.12 961 23.6844 39924.00 39460.70 199.81 962 23.7028 40095.00 39363.20 200.24 963 23.7212 40002.00 39153.40 200.01 964 23.7395 39004.00 38861.70 197.49 965 23.7579 38719.00 38519.40 196.77 966 23.7763 37902.00 38148.60 194.68 967 23.7947 37629.00 37806.80 193.98 968 23.8131 37025.00 37501.40 192.42 969 23.8315 36732.00 37239.10 191.66 970 23.8499 36142.00 37040.80 190.11 971 23.8682 36257.00 36902.40 190.41 972 23.8866 36347.00 36821.40 190.65 973 23.9050 36201.00 36795.10 190.27 974 23.9234 36316.00 36816.30 190.57 975 23.9418 36513.00 36873.40 191.08 976 23.9602 36748.00 36953.60 191.70 977 23.9786 36827.00 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38683.00 41002.30 196.68 1005 24.4934 38684.00 40633.40 196.68 1006 24.5117 38853.00 40128.80 197.11 1007 24.5301 38092.00 39534.60 195.17 1008 24.5485 37950.00 38906.20 194.81 1009 24.5669 37744.00 38289.10 194.28 1010 24.5853 37889.00 37717.70 194.65 1011 24.6037 37157.00 37214.30 192.76 1012 24.6221 36905.00 36791.00 192.11 1013 24.6404 37244.00 36454.10 192.99 1014 24.6588 36662.00 36199.70 191.47 1015 24.6772 36803.00 36025.90 191.84 1016 24.6956 36431.00 35925.90 190.87 1017 24.7140 36596.00 35889.00 191.30 1018 24.7324 36814.00 35897.50 191.87 1019 24.7508 37411.00 35936.00 193.42 1020 24.7691 37592.00 35976.90 193.89 1021 24.7875 37975.00 35993.80 194.87 1022 24.8059 38144.00 35967.50 195.30 1023 24.8243 37472.00 35884.40 193.58 1024 24.8427 37652.00 35743.00 194.04 1025 24.8611 37092.00 35551.20 192.59 1026 24.8795 37192.00 35323.20 192.85 1027 24.8978 36128.00 35077.70 190.07 1028 24.9162 35629.00 34829.90 188.76 1029 24.9346 34979.00 34596.70 187.03 1030 24.9530 34402.00 34390.10 185.48 1031 24.9714 34075.00 34218.20 184.59 1032 24.9898 33869.00 34085.30 184.04 1033 25.0082 33522.00 33992.60 183.09 1034 25.0265 33268.00 33939.00 182.40 1035 25.0449 33087.00 33919.20 181.90 1036 25.0633 33223.00 33926.10 182.27 1037 25.0817 32848.00 33948.70 181.24 1038 25.1001 32770.00 33973.40 181.02 1039 25.1185 32680.00 33985.90 180.78 1040 25.1369 32938.00 33974.20 181.49 1041 25.1552 33053.00 33931.40 181.80 1042 25.1736 32839.00 33855.90 181.21 1043 25.1920 32693.00 33751.90 180.81 1044 25.2104 32681.00 33627.60 180.78 1045 25.2288 32678.00 33493.00 180.77 1046 25.2472 32809.00 33358.30 181.13 1047 25.2656 32529.00 33232.00 180.36 1048 25.2839 32384.00 33120.30 179.96 1049 25.3023 32826.00 33024.70 181.18 1050 25.3207 32764.00 32946.10 181.01 1051 25.3391 32420.00 32884.10 180.06 1052 25.3575 32799.00 32838.70 181.10 1053 25.3759 32629.00 32809.30 180.63 1054 25.3943 32554.00 32798.70 180.43 1055 25.4126 32686.00 32809.80 180.79 1056 25.4310 32889.00 32845.20 181.35 1057 25.4494 32720.00 32907.70 180.89 1058 25.4678 32722.00 32997.90 180.89 1059 25.4862 33106.00 33112.80 181.95 1060 25.5046 32907.00 33244.70 181.40 1061 25.5230 33032.00 33380.10 181.75 1062 25.5413 33101.00 33499.60 181.94 1063 25.5597 33184.00 33583.20 182.16 1064 25.5781 33245.00 33610.90 182.33 1065 25.5965 32904.00 33570.20 181.40 1066 25.6149 33135.00 33458.00 182.03 1067 25.6333 32907.00 33280.10 181.40 1068 25.6517 32759.00 33048.80 180.99 1069 25.6700 32487.00 32781.80 180.24 1070 25.6884 32384.00 32493.80 179.96 1071 25.7068 32248.00 32202.10 179.58 1072 25.7252 31952.00 31920.00 178.75 1073 25.7436 31693.00 31656.70 178.02 1074 25.7620 31638.00 31417.80 177.87 1075 25.7804 31353.00 31205.70 177.07 1076 25.7987 31335.00 31021.50 177.02 1077 25.8171 31448.00 30861.30 177.34 1078 25.8355 30826.00 30723.00 175.57 1079 25.8539 31064.00 30602.40 176.25 1080 25.8723 31211.00 30494.20 176.67 1081 25.8907 31110.00 30394.20 176.38 1082 25.9091 30544.00 30297.70 174.77 1083 25.9274 30650.00 30202.30 175.07 1084 25.9458 30340.00 30103.40 174.18 1085 25.9642 30588.00 30005.40 174.89 1086 25.9826 30161.00 29906.90 173.67 1087 26.0010 30279.00 29809.30 174.01 1088 26.0194 29707.00 29713.40 172.36 1089 26.0378 29977.00 29622.20 173.14 1090 26.0561 29738.00 29536.50 172.45 1091 26.0745 29206.00 29456.10 170.90 1092 26.0929 29500.00 29382.00 171.76 1093 26.1113 29437.00 29314.20 171.57 1094 26.1297 29154.00 29250.40 170.74 1095 26.1481 29677.00 29194.60 172.27 1096 26.1665 29382.00 29144.20 171.41 1097 26.1848 29096.00 29098.80 170.58 1098 26.2032 29222.00 29055.80 170.94 1099 26.2216 28961.00 29016.50 170.18 1100 26.2400 29261.00 28978.40 171.06 1101 26.2584 29036.00 28940.50 170.40 1102 26.2768 29079.00 28901.60 170.53 1103 26.2952 28889.00 28861.70 169.97 1104 26.3135 28859.00 28820.50 169.88 1105 26.3319 28926.00 28778.20 170.08 1106 26.3503 28721.00 28736.00 169.47 1107 26.3687 28630.00 28694.70 169.20 1108 26.3871 28858.00 28655.20 169.88 1109 26.4055 28466.00 28618.60 168.72 1110 26.4239 28465.00 28585.60 168.72 1111 26.4422 28606.00 28557.00 169.13 1112 26.4606 28697.00 28533.10 169.40 1113 26.4790 28647.00 28514.50 169.25 1114 26.4974 28677.00 28501.50 169.34 1115 26.5158 28020.00 28494.60 167.39 1116 26.5342 27945.00 28494.30 167.17 1117 26.5526 28275.00 28501.10 168.15 1118 26.5709 28337.00 28515.60 168.34 1119 26.5893 28147.00 28538.80 167.77 1120 26.6077 27894.00 28571.60 167.01 1121 26.6261 28165.00 28615.20 167.82 1122 26.6445 28145.00 28671.00 167.76 1123 26.6629 28130.00 28740.60 167.72 1124 26.6813 28106.00 28825.80 167.65 1125 26.6996 28234.00 28928.20 168.03 1126 26.7180 28272.00 29053.70 168.14 1127 26.7364 28505.00 29199.30 168.83 1128 26.7548 28534.00 29370.20 168.92 1129 26.7732 29074.00 29568.90 170.51 1130 26.7916 29309.00 29798.80 171.20 1131 26.8100 29689.00 30058.70 172.30 1132 26.8283 30086.00 30347.50 173.45 1133 26.8467 30556.00 30665.20 174.80 1134 26.8651 30620.00 31001.90 174.99 1135 26.8835 31358.00 31339.20 177.08 1136 26.9019 32084.00 31668.40 179.12 1137 26.9203 32272.00 31961.80 179.64 1138 26.9387 32926.00 32196.90 181.46 1139 26.9570 33511.00 32353.60 183.06 1140 26.9754 33540.00 32431.20 183.14 1141 26.9938 33412.00 32428.80 182.79 1142 27.0122 33345.00 32358.30 182.61 1143 27.0306 33268.00 32237.60 182.40 1144 27.0490 32846.00 32087.60 181.24 1145 27.0674 32304.00 31929.20 179.73 1146 27.0857 31990.00 31780.40 178.86 1147 27.1041 31743.00 31650.70 178.17 1148 27.1225 31455.00 31544.40 177.36 1149 27.1409 31506.00 31456.80 177.50 1150 27.1593 30744.00 31376.00 175.34 1151 27.1777 30764.00 31285.70 175.40 1152 27.1961 30759.00 31169.20 175.38 1153 27.2144 30287.00 31014.70 174.03 1154 27.2328 30291.00 30814.00 174.04 1155 27.2512 30242.00 30568.20 173.90 1156 27.2696 29789.00 30284.80 172.60 1157 27.2880 29435.00 29971.60 171.57 1158 27.3064 29280.00 29639.80 171.11 1159 27.3248 29149.00 29306.70 170.73 1160 27.3431 29061.00 28983.60 170.47 1161 27.3615 28519.00 28674.30 168.88 1162 27.3799 28461.00 28386.00 168.70 1163 27.3983 28212.00 28124.50 167.96 1164 27.4167 27863.00 27892.50 166.92 1165 27.4351 27715.00 27684.80 166.48 1166 27.4535 27145.00 27502.90 164.76 1167 27.4718 27325.00 27347.20 165.30 1168 27.4902 27370.00 27213.20 165.44 1169 27.5086 26889.00 27098.70 163.98 1170 27.5270 27021.00 27003.10 164.38 1171 27.5454 26629.00 26925.60 163.18 1172 27.5638 26839.00 26863.80 163.83 1173 27.5822 26458.00 26817.40 162.66 1174 27.6005 26255.00 26785.80 162.03 1175 27.6189 26455.00 26768.40 162.65 1176 27.6373 26523.00 26765.40 162.86 1177 27.6557 26439.00 26777.20 162.60 1178 27.6741 26312.00 26804.40 162.21 1179 27.6925 26766.00 26913.80 163.60 1180 27.7109 26283.00 26975.70 162.12 1181 27.7292 26548.00 27055.80 162.94 1182 27.7476 26706.00 27156.60 163.42 1183 27.7660 26243.00 27311.50 162.00 1184 27.7844 26737.00 27457.10 163.51 1185 27.8028 26870.00 27626.00 163.92 1186 27.8212 27319.00 27810.70 165.29 1187 27.8396 27391.00 28022.10 165.50 1188 27.8579 27822.00 28246.50 166.80 1189 27.8763 28301.00 28477.40 168.23 1190 27.8947 28830.00 28697.10 169.79 1191 27.9131 29001.00 28896.80 170.30 1192 27.9315 29359.00 29057.00 171.35 1193 27.9499 29304.00 29164.60 171.18 1194 27.9683 29686.00 29211.90 172.30 1195 27.9866 29611.00 29198.80 172.08 1196 28.0050 29718.00 29131.50 172.39 1197 28.0234 29572.00 29020.00 171.96 1198 28.0418 29489.00 28879.50 171.72 1199 28.0602 29000.00 28724.20 170.29 1200 28.0786 28920.00 28569.40 170.06 1201 28.0970 28684.00 28427.40 169.36 1202 28.1153 27950.00 28308.00 167.18 1203 28.1337 27818.00 28214.00 166.79 1204 28.1521 27735.00 28146.50 166.54 1205 28.1705 27517.00 28101.30 165.88 1206 28.1889 27395.00 28070.30 165.51 1207 28.2073 27331.00 28042.80 165.32 1208 28.2257 27178.00 28007.50 164.86 1209 28.2440 27156.00 27955.10 164.79 1210 28.2624 27314.00 27875.70 165.27 1211 28.2808 27188.00 27774.00 164.89 1212 28.2992 26821.00 27649.00 163.77 1213 28.3176 26920.00 27505.50 164.07 1214 28.3360 26866.00 27348.70 163.91 1215 28.3544 26782.00 27188.50 163.65 1216 28.3727 26648.00 27030.10 163.24 1217 28.3911 26409.00 26875.60 162.51 1218 28.4095 26443.00 26727.10 162.61 1219 28.4279 26099.00 26583.40 161.55 1220 28.4463 26068.00 26441.40 161.46 1221 28.4647 26060.00 26297.60 161.43 1222 28.4831 25902.00 26149.00 160.94 1223 28.5014 25861.00 25995.20 160.81 1224 28.5198 25846.00 25834.40 160.77 1225 28.5382 25496.00 25668.90 159.68 1226 28.5566 25272.00 25501.20 158.97 1227 28.5750 25269.00 25334.10 158.96 1228 28.5934 24921.00 25170.70 157.86 1229 28.6118 25109.00 25013.50 158.46 1230 28.6301 24678.00 24865.40 157.09 1231 28.6485 24599.00 24724.60 156.84 1232 28.6669 24589.00 24595.00 156.81 1233 28.6853 24650.00 24476.30 157.00 1234 28.7037 24481.00 24367.80 156.46 1235 28.7221 24261.00 24267.90 155.76 1236 28.7405 24513.00 24177.30 156.57 1237 28.7588 24256.00 24095.40 155.74 1238 28.7772 24115.00 24020.30 155.29 1239 28.7956 23959.00 23951.70 154.79 1240 28.8140 23850.00 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152.38 1267 29.3104 23732.00 23360.00 154.05 1268 29.3288 23326.00 23387.70 152.73 1269 29.3472 23828.00 23421.30 154.36 1270 29.3656 23540.00 23461.50 153.43 1271 29.3840 23463.00 23508.70 153.18 1272 29.4023 23592.00 23563.00 153.60 1273 29.4207 23722.00 23625.20 154.02 1274 29.4391 23837.00 23695.10 154.39 1275 29.4575 23608.00 23772.50 153.65 1276 29.4759 23720.00 23856.50 154.01 1277 29.4943 24018.00 23946.00 154.98 1278 29.5127 24240.00 24039.50 155.69 1279 29.5310 24164.00 24137.10 155.45 1280 29.5494 24016.00 24233.50 154.97 1281 29.5678 24300.00 24331.10 155.88 1282 29.5862 24638.00 24430.10 156.96 1283 29.6046 24760.00 24533.00 157.35 1284 29.6230 24830.00 24644.20 157.57 1285 29.6414 24896.00 24765.80 157.79 1286 29.6597 25152.00 24904.40 158.59 1287 29.6781 25283.00 25068.10 159.01 1288 29.6965 25388.00 25263.90 159.34 1289 29.7149 25481.00 25500.60 159.63 1290 29.7333 25911.00 25788.30 160.97 1291 29.7517 26446.00 26139.10 162.62 1292 29.7701 26698.00 26568.10 163.40 1293 29.7884 27089.00 27095.10 164.59 1294 29.8068 28045.00 27747.00 167.47 1295 29.8252 28617.00 28562.70 169.17 1296 29.8436 29889.00 29597.40 172.88 1297 29.8620 31237.00 30926.40 176.74 1298 29.8804 32893.00 32650.50 181.36 1299 29.8988 34484.00 34889.90 185.70 1300 29.9171 37886.00 37770.10 194.64 1301 29.9355 41552.00 41474.50 203.84 1302 29.9539 46598.00 46135.50 215.87 1303 29.9723 52454.00 51874.80 229.03 1304 29.9907 59565.00 58756.30 244.06 1305 30.0091 68134.00 66728.50 261.02 1306 30.0275 76687.00 75518.30 276.92 1307 30.0458 85571.00 84438.70 292.52 1308 30.0642 92966.00 92510.60 304.90 1309 30.0826 98787.00 98366.70 314.30 1310 30.1010 102165.00 101041.00 319.63 1311 30.1194 101332.00 100403.00 318.33 1312 30.1378 98005.00 96965.80 313.06 1313 30.1562 92727.00 91342.60 304.51 1314 30.1745 85266.00 84103.20 292.00 1315 30.1929 76863.00 75786.40 277.24 1316 30.2113 68021.00 67198.20 260.81 1317 30.2297 59587.00 59052.40 244.10 1318 30.2481 52078.00 51822.40 228.21 1319 30.2665 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33.6494 17214.00 17435.60 131.20 1504 33.6678 17386.00 17457.80 131.86 1505 33.6862 17575.00 17476.70 132.57 1506 33.7046 17259.00 17492.20 131.37 1507 33.7230 17248.00 17503.20 131.33 1508 33.7414 17208.00 17509.70 131.18 1509 33.7597 17314.00 17512.30 131.58 1510 33.7781 17012.00 17511.30 130.43 1511 33.7965 17360.00 17510.20 131.76 1512 33.8149 17319.00 17507.30 131.60 1513 33.8333 17079.00 17505.40 130.69 1514 33.8517 17644.00 17505.50 132.83 1515 33.8701 17447.00 17509.70 132.09 1516 33.8884 17243.00 17519.50 131.31 1517 33.9068 17343.00 17535.20 131.69 1518 33.9252 17328.00 17558.50 131.64 1519 33.9436 17574.00 17590.30 132.57 1520 33.9620 17573.00 17631.50 132.56 1521 33.9804 17449.00 17683.10 132.10 1522 33.9988 17859.00 17745.70 133.64 1523 34.0171 17545.00 17820.00 132.46 1524 34.0355 17766.00 17907.20 133.29 1525 34.0539 17964.00 18008.00 134.03 1526 34.0723 17705.00 18123.00 133.06 1527 34.0907 17800.00 18252.50 133.42 1528 34.1091 18326.00 18397.00 135.37 1529 34.1275 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187.54 1582 35.1019 32044.00 31924.80 179.01 1583 35.1203 29591.00 29443.50 172.02 1584 35.1387 27417.00 27491.80 165.58 1585 35.1571 25956.00 25962.20 161.11 1586 35.1754 24940.00 24763.70 157.92 1587 35.1938 24074.00 23801.70 155.16 1588 35.2122 23301.00 23016.90 152.65 1589 35.2306 22606.00 22362.00 150.35 1590 35.2490 21812.00 21802.40 147.69 1591 35.2674 21283.00 21315.40 145.89 1592 35.2858 20943.00 20886.50 144.72 1593 35.3041 20434.00 20508.90 142.95 1594 35.3225 20108.00 20169.50 141.80 1595 35.3409 19813.00 19866.80 140.76 1596 35.3593 19541.00 19596.10 139.79 1597 35.3777 19357.00 19352.70 139.13 1598 35.3961 18913.00 19132.00 137.52 1599 35.4145 18493.00 18930.60 135.99 1600 35.4328 18388.00 18742.50 135.60 1601 35.4512 18397.00 18563.10 135.64 1602 35.4696 17995.00 18391.60 134.15 1603 35.4880 17962.00 18222.50 134.02 1604 35.5064 17922.00 18055.90 133.87 1605 35.5248 17408.00 17887.90 131.94 1606 35.5432 17203.00 17723.70 131.16 1607 35.5615 17385.00 17562.50 131.85 1608 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15476.20 121.93 1661 36.5544 15058.00 15402.80 122.71 1662 36.5728 15239.00 15325.00 123.45 1663 36.5911 15010.00 15243.70 122.51 1664 36.6095 15015.00 15159.20 122.54 1665 36.6279 14812.00 15072.90 121.71 1666 36.6463 14786.00 14985.90 121.60 1667 36.6647 14826.00 14899.40 121.76 1668 36.6831 14566.00 14813.50 120.69 1669 36.7015 14861.00 14729.30 121.91 1670 36.7198 14454.00 14648.20 120.22 1671 36.7382 14418.00 14569.60 120.07 1672 36.7566 14279.00 14494.70 119.50 1673 36.7750 14504.00 14423.90 120.43 1674 36.7934 14367.00 14357.40 119.86 1675 36.8118 14231.00 14295.60 119.29 1676 36.8302 14069.00 14238.30 118.61 1677 36.8485 14110.00 14186.00 118.79 1678 36.8669 13947.00 14137.70 118.10 1679 36.8853 14054.00 14093.70 118.55 1680 36.9037 13909.00 14053.60 117.94 1681 36.9221 13856.00 14015.20 117.71 1682 36.9405 13808.00 13982.10 117.51 1683 36.9589 13955.00 13952.10 118.13 1684 36.9772 13644.00 13925.10 116.81 1685 36.9956 13764.00 13900.70 117.32 1686 37.0140 13730.00 13878.10 117.18 1687 37.0324 13728.00 13858.90 117.17 1688 37.0508 13601.00 13842.40 116.62 1689 37.0692 13846.00 13828.40 117.67 1690 37.0876 13733.00 13817.00 117.19 1691 37.1059 13682.00 13808.30 116.97 1692 37.1243 13546.00 13802.30 116.39 1693 37.1427 13620.00 13798.60 116.71 1694 37.1611 13658.00 13798.50 116.87 1695 37.1795 13814.00 13800.10 117.53 1696 37.1979 13801.00 13803.40 117.48 1697 37.2163 13726.00 13809.00 117.16 1698 37.2346 13981.00 13816.00 118.24 1699 37.2530 13878.00 13823.50 117.81 1700 37.2714 13956.00 13830.80 118.14 1701 37.2898 14052.00 13837.20 118.54 1702 37.3082 14134.00 13842.30 118.89 1703 37.3266 14045.00 13845.40 118.51 1704 37.3450 14093.00 13846.20 118.71 1705 37.3633 14055.00 13844.50 118.55 1706 37.3817 14031.00 13790.20 118.45 1707 37.4001 14342.00 13784.40 119.76 1708 37.4185 14135.00 13776.80 118.89 1709 37.4369 13985.00 13767.70 118.26 1710 37.4553 14017.00 13758.10 118.39 1711 37.4737 14111.00 13723.90 118.79 1712 37.4920 13975.00 13715.70 118.22 1713 37.5104 13927.00 13709.00 118.01 1714 37.5288 13973.00 13704.30 118.21 1715 37.5472 13837.00 13702.00 117.63 1716 37.5656 13770.00 13702.00 117.35 1717 37.5840 13798.00 13704.40 117.46 1718 37.6024 13880.00 13708.50 117.81 1719 37.6207 13982.00 13713.80 118.25 1720 37.6391 13989.00 13719.40 118.28 1721 37.6575 13991.00 13724.40 118.28 1722 37.6759 13732.00 13728.30 117.18 1723 37.6943 13815.00 13730.60 117.54 1724 37.7127 13907.00 13731.00 117.93 1725 37.7311 13708.00 13729.70 117.08 1726 37.7494 13701.00 13727.50 117.05 1727 37.7678 14163.00 13724.80 119.01 1728 37.7862 14004.00 13722.90 118.34 1729 37.8046 13853.00 13722.50 117.70 1730 37.8230 13756.00 13724.90 117.29 1731 37.8414 13903.00 13731.30 117.91 1732 37.8598 13708.00 13742.70 117.08 1733 37.8781 13702.00 13760.20 117.06 1734 37.8965 13611.00 13784.80 116.67 1735 37.9149 13633.00 13817.20 116.76 1736 37.9333 13895.00 13858.20 117.88 1737 37.9517 13663.00 13909.20 116.89 1738 37.9701 13849.00 13968.60 117.68 1739 37.9885 13718.00 14037.10 117.12 1740 38.0068 13965.00 14114.00 118.17 1741 38.0252 13992.00 14199.20 118.29 1742 38.0436 14222.00 14291.10 119.26 1743 38.0620 14514.00 14386.40 120.47 1744 38.0804 14743.00 14482.50 121.42 1745 38.0988 14979.00 14575.60 122.39 1746 38.1172 15272.00 14661.60 123.58 1747 38.1355 15525.00 14736.30 124.60 1748 38.1539 15431.00 14797.20 124.22 1749 38.1723 15657.00 14841.50 125.13 1750 38.1907 16182.00 14868.20 127.21 1751 38.2091 15772.00 14878.50 125.59 1752 38.2275 16225.00 14872.40 127.38 1753 38.2459 16003.00 14852.90 126.50 1754 38.2642 16029.00 14823.50 126.61 1755 38.2826 15885.00 14785.50 126.04 1756 38.3010 15785.00 14742.80 125.64 1757 38.3194 15494.00 14697.50 124.47 1758 38.3378 15240.00 14651.30 123.45 1759 38.3562 14963.00 14605.50 122.32 1760 38.3746 14905.00 14559.90 122.09 1761 38.3929 14652.00 14514.70 121.04 1762 38.4113 14633.00 14468.40 120.97 1763 38.4297 14440.00 14420.70 120.17 1764 38.4481 14240.00 14371.30 119.33 1765 38.4665 14242.00 14320.20 119.34 1766 38.4849 13905.00 14267.70 117.92 1767 38.5033 13908.00 14214.90 117.93 1768 38.5216 14060.00 14163.70 118.57 1769 38.5400 13991.00 14113.70 118.28 1770 38.5584 14084.00 14067.20 118.68 1771 38.5768 13992.00 14025.40 118.29 1772 38.5952 13905.00 13989.80 117.92 1773 38.6136 14011.00 13960.90 118.37 1774 38.6320 13979.00 13938.70 118.23 1775 38.6503 13762.00 13923.30 117.31 1776 38.6687 13787.00 13913.80 117.42 1777 38.6871 13899.00 13909.40 117.89 1778 38.7055 13866.00 13908.50 117.75 1779 38.7239 13877.00 13909.80 117.80 1780 38.7423 13788.00 13911.70 117.42 1781 38.7607 13739.00 13912.60 117.21 1782 38.7790 13935.00 13911.10 118.05 1783 38.7974 13616.00 13906.80 116.69 1784 38.8158 13957.00 13896.40 118.14 1785 38.8342 14092.00 13879.50 118.71 1786 38.8526 13921.00 13854.90 117.99 1787 38.8710 13977.00 13821.80 118.22 1788 38.8894 14103.00 13780.00 118.76 1789 38.9077 14069.00 13728.70 118.61 1790 38.9261 13913.00 13668.10 117.95 1791 38.9445 13932.00 13599.50 118.03 1792 38.9629 13893.00 13524.00 117.87 1793 38.9813 14132.00 13443.10 118.88 1794 38.9997 13961.00 13358.40 118.16 1795 39.0181 13670.00 13269.10 116.92 1796 39.0364 13586.00 13181.90 116.56 1797 39.0548 13462.00 13094.90 116.03 1798 39.0732 13384.00 13009.90 115.69 1799 39.0916 13202.00 12927.80 114.90 1800 39.1100 12955.00 12848.10 113.82 1801 39.1284 13166.00 12773.80 114.74 1802 39.1468 12778.00 12703.80 113.04 1803 39.1651 12587.00 12638.30 112.19 1804 39.1835 12384.00 12576.80 111.28 1805 39.2019 12529.00 12519.20 111.93 1806 39.2203 12411.00 12465.60 111.40 1807 39.2387 12404.00 12415.60 111.37 1808 39.2571 12346.00 12369.60 111.11 1809 39.2755 12327.00 12326.30 111.03 1810 39.2938 12238.00 12286.40 110.62 1811 39.3122 12257.00 12249.30 110.71 1812 39.3306 12122.00 12212.00 110.10 1813 39.3490 12249.00 12180.70 110.68 1814 39.3674 12123.00 12151.90 110.10 1815 39.3858 12257.00 12125.60 110.71 1816 39.4042 12240.00 12101.80 110.64 1817 39.4225 12083.00 12078.90 109.92 1818 39.4409 12109.00 12059.50 110.04 1819 39.4593 11963.00 12042.20 109.38 1820 39.4777 11697.00 12026.60 108.15 1821 39.4961 12061.00 12012.50 109.82 1822 39.5145 12115.00 11999.60 110.07 1823 39.5329 11902.00 11987.50 109.10 1824 39.5512 11991.00 11976.10 109.50 1825 39.5696 11895.00 11964.90 109.06 1826 39.5880 12024.00 11953.70 109.65 1827 39.6064 11842.00 11942.20 108.82 1828 39.6248 11923.00 11930.40 109.19 1829 39.6432 12066.00 11918.30 109.85 1830 39.6616 11879.00 11905.90 108.99 1831 39.6799 11825.00 11893.30 108.74 1832 39.6983 11850.00 11880.50 108.86 1833 39.7167 12019.00 11867.80 109.63 1834 39.7351 11825.00 11855.30 108.74 1835 39.7535 11997.00 11843.20 109.53 1836 39.7719 11753.00 11831.70 108.41 1837 39.7903 11679.00 11821.10 108.07 1838 39.8086 11922.00 11811.60 109.19 1839 39.8270 11780.00 11803.20 108.54 1840 39.8454 11828.00 11796.70 108.76 1841 39.8638 11801.00 11791.20 108.63 1842 39.8822 11733.00 11787.80 108.32 1843 39.9006 11521.00 11785.70 107.34 1844 39.9190 11627.00 11785.60 107.83 1845 39.9373 11590.00 11784.90 107.66 1846 39.9557 11675.00 11789.10 108.05 1847 39.9741 11624.00 11796.00 107.82 1848 39.9925 11581.00 11805.30 107.61 1849 40.0109 11345.00 11817.20 106.51 1850 40.0293 11709.00 11832.20 108.21 1851 40.0477 11734.00 11848.80 108.32 1852 40.0660 11652.00 11870.20 107.94 1853 40.0844 11748.00 11895.60 108.39 1854 40.1028 11779.00 11924.90 108.53 1855 40.1212 11684.00 11958.60 108.09 1856 40.1396 11797.00 11997.20 108.61 1857 40.1580 11703.00 12040.80 108.18 1858 40.1764 11653.00 12090.00 107.95 1859 40.1947 11731.00 12144.80 108.31 1860 40.2131 12033.00 12206.10 109.69 1861 40.2315 12001.00 12273.80 109.55 1862 40.2499 11923.00 12348.10 109.19 1863 40.2683 12093.00 12428.00 109.97 1864 40.2867 12268.00 12515.20 110.76 1865 40.3051 12432.00 12608.10 111.50 1866 40.3234 12354.00 12705.50 111.15 1867 40.3418 12651.00 12807.70 112.48 1868 40.3602 12745.00 12912.20 112.89 1869 40.3786 12879.00 13020.10 113.49 1870 40.3970 13060.00 13128.70 114.28 1871 40.4154 13176.00 13236.70 114.79 1872 40.4338 13111.00 13342.10 114.50 1873 40.4521 13221.00 13442.50 114.98 1874 40.4705 13374.00 13537.40 115.65 1875 40.4889 13508.00 13624.90 116.22 1876 40.5073 13490.00 13701.90 116.15 1877 40.5257 13748.00 13767.60 117.25 1878 40.5441 13588.00 13821.10 116.57 1879 40.5625 13363.00 13860.20 115.60 1880 40.5808 13557.00 13884.20 116.43 1881 40.5992 13540.00 13890.80 116.36 1882 40.6176 13396.00 13879.00 115.74 1883 40.6360 13408.00 13848.20 115.79 1884 40.6544 13385.00 13797.50 115.69 1885 40.6728 13271.00 13727.60 115.20 1886 40.6912 13181.00 13639.70 114.81 1887 40.7095 13015.00 13535.70 114.08 1888 40.7279 12899.00 13417.80 113.57 1889 40.7463 13119.00 13289.00 114.54 1890 40.7647 12909.00 13152.30 113.62 1891 40.7831 12685.00 13010.70 112.63 1892 40.8015 12463.00 12866.30 111.64 1893 40.8199 12448.00 12722.50 111.57 1894 40.8382 12202.00 12582.30 110.46 1895 40.8566 12110.00 12446.00 110.04 1896 40.8750 12202.00 12316.10 110.46 1897 40.8934 11796.00 12193.40 108.61 1898 40.9118 11862.00 12078.80 108.91 1899 40.9302 11911.00 11972.50 109.14 1900 40.9486 11657.00 11874.60 107.97 1901 40.9669 11726.00 11785.40 108.29 1902 40.9853 11622.00 11703.40 107.81 1903 41.0037 11453.00 11628.90 107.02 1904 41.0221 11465.00 11561.20 107.07 1905 41.0405 11248.00 11500.00 106.06 1906 41.0589 11286.00 11444.70 106.24 1907 41.0773 11178.00 11394.80 105.73 1908 41.0956 11268.00 11350.10 106.15 1909 41.1140 11021.00 11310.10 104.98 1910 41.1324 11056.00 11274.00 105.15 1911 41.1508 11016.00 11241.80 104.96 1912 41.1692 11047.00 11213.30 105.11 1913 41.1876 10954.00 11187.40 104.66 1914 41.2060 11035.00 11165.60 105.05 1915 41.2243 10992.00 11146.90 104.84 1916 41.2427 10933.00 11131.10 104.56 1917 41.2611 10929.00 11117.90 104.54 1918 41.2795 10979.00 11107.00 104.78 1919 41.2979 10896.00 11099.00 104.38 1920 41.3163 11022.00 11093.30 104.99 1921 41.3347 10851.00 11089.70 104.17 1922 41.3530 10921.00 11087.90 104.50 1923 41.3714 10942.00 11086.50 104.60 1924 41.3898 10894.00 11087.20 104.37 1925 41.4082 10782.00 11088.40 103.84 1926 41.4266 10932.00 11089.90 104.56 1927 41.4450 10956.00 11091.10 104.67 1928 41.4634 11065.00 11091.90 105.19 1929 41.4817 10963.00 11091.40 104.70 1930 41.5001 10960.00 11090.90 104.69 1931 41.5185 11015.00 11090.00 104.95 1932 41.5369 11024.00 11089.00 105.00 1933 41.5553 11065.00 11088.00 105.19 1934 41.5737 11058.00 11088.10 105.16 1935 41.5921 11029.00 11089.40 105.02 1936 41.6104 10870.00 11092.40 104.26 1937 41.6288 10845.00 11097.40 104.14 1938 41.6472 10995.00 11104.60 104.86 1939 41.6656 11012.00 11113.90 104.94 1940 41.6840 10836.00 11125.40 104.10 1941 41.7024 11210.00 11138.50 105.88 1942 41.7208 11162.00 11152.10 105.65 1943 41.7391 11054.00 11165.20 105.14 1944 41.7575 11227.00 11176.70 105.96 1945 41.7759 11089.00 11184.90 105.30 1946 41.7943 11130.00 11189.00 105.50 1947 41.8127 11309.00 11187.50 106.34 1948 41.8311 11220.00 11180.00 105.92 1949 41.8495 11281.00 11166.40 106.21 1950 41.8678 11193.00 11146.90 105.80 1951 41.8862 11109.00 11122.10 105.40 1952 41.9046 11036.00 11092.60 105.05 1953 41.9230 11267.00 11059.30 106.15 1954 41.9414 11054.00 11023.40 105.14 1955 41.9598 10962.00 10985.80 104.70 1956 41.9782 10947.00 10947.50 104.63 1957 41.9965 10726.00 10909.90 103.57 1958 42.0149 10864.00 10873.30 104.23 1959 42.0333 10617.00 10838.70 103.04 1960 42.0517 10654.00 10806.60 103.22 1961 42.0701 10712.00 10777.40 103.50 1962 42.0885 10672.00 10751.50 103.31 1963 42.1069 10661.00 10729.10 103.25 1964 42.1252 10448.00 10710.40 102.21 1965 42.1436 10525.00 10695.00 102.59 1966 42.1620 10500.00 10683.30 102.47 1967 42.1804 10627.00 10675.20 103.09 1968 42.1988 10480.00 10670.60 102.37 1969 42.2172 10602.00 10669.60 102.97 1970 42.2356 10493.00 10672.10 102.43 1971 42.2539 10601.00 10677.70 102.96 1972 42.2723 10702.00 10686.80 103.45 1973 42.2907 10632.00 10697.60 103.11 1974 42.3091 10570.00 10710.80 102.81 1975 42.3275 10707.00 10725.10 103.47 1976 42.3459 10913.00 10739.80 104.46 1977 42.3643 10746.00 10753.60 103.66 1978 42.3826 10765.00 10765.00 103.75 1979 42.4010 10721.00 10772.80 103.54 1980 42.4194 10955.00 10776.70 104.67 1981 42.4378 10919.00 10775.60 104.49 1982 42.4562 11220.00 10769.30 105.92 1983 42.4746 10730.00 10757.60 103.59 1984 42.4930 10866.00 10740.90 104.24 1985 42.5113 11023.00 10719.90 104.99 1986 42.5297 11017.00 10694.90 104.96 1987 42.5481 10966.00 10666.90 104.72 1988 42.5665 11067.00 10636.50 105.20 1989 42.5849 10910.00 10604.70 104.45 1990 42.6033 10814.00 10572.10 103.99 1991 42.6217 10801.00 10539.70 103.93 1992 42.6400 10678.00 10508.10 103.33 1993 42.6584 10694.00 10477.60 103.41 1994 42.6768 10534.00 10448.70 102.64 1995 42.6952 10584.00 10421.30 102.88 1996 42.7136 10423.00 10396.60 102.09 1997 42.7320 10610.00 10374.20 103.00 1998 42.7504 10376.00 10354.20 101.86 1999 42.7687 10515.00 10336.60 102.54 2000 42.7871 10445.00 10321.30 102.20 2001 42.8055 10467.00 10308.00 102.31 2002 42.8239 10274.00 10297.50 101.36 2003 42.8423 10328.00 10289.20 101.63 2004 42.8607 10356.00 10283.10 101.76 2005 42.8791 10489.00 10279.20 102.42 2006 42.8974 10315.00 10277.60 101.56 2007 42.9158 10279.00 10278.10 101.39 2008 42.9342 10297.00 10280.80 101.47 2009 42.9526 10339.00 10285.70 101.68 2010 42.9710 10377.00 10292.40 101.87 2011 42.9894 10421.00 10301.10 102.08 2012 43.0078 10317.00 10311.50 101.57 2013 43.0261 10370.00 10323.50 101.83 2014 43.0445 10503.00 10337.10 102.48 2015 43.0629 10278.00 10351.90 101.38 2016 43.0813 10502.00 10367.50 102.48 2017 43.0997 10578.00 10384.00 102.85 2018 43.1181 10345.00 10401.20 101.71 2019 43.1365 10475.00 10419.30 102.35 2020 43.1548 10432.00 10438.30 102.14 2021 43.1732 10309.00 10458.60 101.53 2022 43.1916 10237.00 10480.80 101.18 2023 43.2100 10528.00 10502.60 102.61 2024 43.2284 10483.00 10528.60 102.39 2025 43.2468 10498.00 10557.30 102.46 2026 43.2652 10523.00 10588.70 102.58 2027 43.2835 10503.00 10623.10 102.48 2028 43.3019 10499.00 10660.90 102.46 2029 43.3203 10339.00 10700.20 101.68 2030 43.3387 10525.00 10742.60 102.59 2031 43.3571 10562.00 10786.30 102.77 2032 43.3755 10551.00 10830.10 102.72 2033 43.3939 10635.00 10872.70 103.13 2034 43.4122 10740.00 10912.60 103.63 2035 43.4306 10517.00 10949.00 102.55 2036 43.4490 10590.00 10980.70 102.91 2037 43.4674 10698.00 11007.10 103.43 2038 43.4858 10877.00 11028.20 104.29 2039 43.5042 10767.00 11043.30 103.76 2040 43.5226 10855.00 11055.40 104.19 2041 43.5409 10918.00 11064.20 104.49 2042 43.5593 10647.00 11071.10 103.18 2043 43.5777 10917.00 11077.20 104.48 2044 43.5961 10708.00 11083.20 103.48 2045 43.6145 11182.00 11091.30 105.75 2046 43.6329 10850.00 11102.10 104.16 2047 43.6513 10886.00 11116.30 104.34 2048 43.6696 11093.00 11133.80 105.32 2049 43.6880 10834.00 11155.00 104.09 2050 43.7064 11166.00 11179.20 105.67 2051 43.7248 11208.00 11205.60 105.87 2052 43.7432 11286.00 11232.90 106.24 2053 43.7616 11291.00 11260.00 106.26 2054 43.7800 11465.00 11285.30 107.07 2055 43.7983 11648.00 11307.10 107.93 2056 43.8167 11650.00 11324.90 107.93 2057 43.8351 11692.00 11337.40 108.13 2058 43.8535 11647.00 11343.90 107.92 2059 43.8719 11743.00 11343.50 108.36 2060 43.8903 11555.00 11337.10 107.49 2061 43.9087 11748.00 11324.50 108.39 2062 43.9270 11582.00 11306.60 107.62 2063 43.9454 11701.00 11284.20 108.17 2064 43.9638 11662.00 11258.50 107.99 2065 43.9822 11451.00 11230.30 107.01 2066 44.0006 11589.00 11200.50 107.65 2067 44.0190 11538.00 11171.80 107.42 2068 44.0374 11307.00 11144.10 106.33 2069 44.0557 11395.00 11118.00 106.75 2070 44.0741 11482.00 11093.50 107.15 2071 44.0925 11272.00 11070.60 106.17 2072 44.1109 11264.00 11048.30 106.13 2073 44.1293 11383.00 11027.10 106.69 2074 44.1477 11060.00 11005.70 105.17 2075 44.1661 10944.00 10983.40 104.61 2076 44.1844 11200.00 10960.50 105.83 2077 44.2028 11077.00 10935.40 105.25 2078 44.2212 11044.00 10909.10 105.09 2079 44.2396 11252.00 10881.50 106.07 2080 44.2580 10884.00 10853.20 104.33 2081 44.2764 11150.00 10825.00 105.59 2082 44.2948 11066.00 10797.80 105.19 2083 44.3131 11034.00 10771.90 105.04 2084 44.3315 10995.00 10748.30 104.86 2085 44.3499 10741.00 10727.40 103.64 2086 44.3683 10933.00 10709.80 104.56 2087 44.3867 10701.00 10695.70 103.45 2088 44.4051 10803.00 10684.90 103.94 2089 44.4235 10830.00 10677.00 104.07 2090 44.4418 10779.00 10671.10 103.82 2091 44.4602 10814.00 10665.90 103.99 2092 44.4786 10948.00 10660.30 104.63 2093 44.4970 10802.00 10652.70 103.93 2094 44.5154 10918.00 10641.80 104.49 2095 44.5338 10889.00 10626.70 104.35 2096 44.5522 10767.00 10606.40 103.76 2097 44.5705 10705.00 10580.70 103.46 2098 44.5889 10691.00 10549.60 103.40 2099 44.6073 10721.00 10513.40 103.54 2100 44.6257 10773.00 10472.80 103.79 2101 44.6441 10623.00 10428.70 103.07 2102 44.6625 10620.00 10381.90 103.05 2103 44.6809 10581.00 10333.40 102.86 2104 44.6992 10620.00 10284.50 103.05 2105 44.7176 10360.00 10235.80 101.78 2106 44.7360 10460.00 10188.40 102.27 2107 44.7544 10393.00 10143.20 101.95 2108 44.7728 10150.00 10101.00 100.75 2109 44.7912 10151.00 10062.30 100.75 2110 44.8096 10097.00 10027.40 100.48 2111 44.8279 10303.00 9996.73 101.50 2112 44.8463 10141.00 9970.03 100.70 2113 44.8647 10017.00 9947.62 100.08 2114 44.8831 9959.00 9929.31 99.79 2115 44.9015 10009.00 9914.89 100.04 2116 44.9199 10035.00 9904.21 100.18 2117 44.9383 9981.00 9896.65 99.90 2118 44.9566 9834.00 9891.92 99.17 2119 44.9750 10138.00 9889.45 100.69 2120 44.9934 9956.00 9888.68 99.78 2121 45.0118 10125.00 9888.96 100.62 2122 45.0302 9882.00 9889.64 99.41 2123 45.0486 10097.00 9889.83 100.48 2124 45.0670 9931.00 9888.81 99.65 2125 45.0853 9961.00 9885.93 99.80 2126 45.1037 9975.00 9880.51 99.87 2127 45.1221 9779.00 9872.11 98.89 2128 45.1405 9830.00 9860.52 99.15 2129 45.1589 9901.00 9845.79 99.50 2130 45.1773 9575.00 9827.87 97.85 2131 45.1957 9988.00 9807.16 99.94 2132 45.2140 9981.00 9784.22 99.90 2133 45.2324 9880.00 9759.27 99.40 2134 45.2508 9682.00 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67.25 5367 104.6918 4497.00 4545.63 67.06 5368 104.7102 4583.00 4549.70 67.70 5369 104.7286 4603.00 4554.10 67.85 5370 104.7469 4668.00 4558.79 68.32 5371 104.7653 4590.00 4563.86 67.75 5372 104.7837 4536.00 4569.28 67.35 5373 104.8021 4586.00 4575.04 67.72 5374 104.8205 4426.00 4581.20 66.53 5375 104.8389 4521.00 4587.73 67.24 5376 104.8573 4578.00 4594.66 67.66 5377 104.8756 4613.00 4601.96 67.92 5378 104.8940 4538.00 4609.71 67.36 5379 104.9124 4500.00 4617.89 67.08 5380 104.9308 4654.00 4626.52 68.22 5381 104.9492 4613.00 4635.61 67.92 5382 104.9676 4635.00 4645.16 68.08 5383 104.9860 4452.00 4655.19 66.72 5384 105.0043 4518.00 4665.65 67.22 5385 105.0227 4591.00 4676.68 67.76