#------------------------------------------------------------------------------ #$Date: 2025-07-01 13:56:43 +0300 (Tue, 01 Jul 2025) $ #$Revision: 1154 $ #$URL: svn://localhost/testcod/cif/7/20/00/7200042.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_7200042 loop_ _publ_author_name 'Logan, Matthew W.' 'Ayad, Suliman' 'Adamson, Jeremy D.' 'Dilbeck, Tristan' 'Hanson, Kenneth' 'Uribe-Romo, Fernando J.' _publ_section_title ; Systematic variation of the optical bandgap in titanium based isoreticular metal--organic frameworks for photocatalytic reduction of CO2 under blue light ; _journal_issue 23 _journal_name_full 'Journal of Materials Chemistry A' _journal_page_first 11854 _journal_page_last 11863 _journal_paper_doi 10.1039/C7TA00437K _journal_volume 5 _journal_year 2017 _chemical_formula_sum 'C3.735 N0.315 O2.361 Ti0.25' _chemical_formula_weight 99.02 _chemical_name_systematic MIL-125-NHhep _space_group_IT_number 139 _space_group_name_Hall '-I 4 2' _space_group_name_H-M_alt 'I 4/m m m' _symmetry_cell_setting tetragonal _symmetry_space_group_name_H-M 'I 4/m m m' _audit_creation_date 2016-12-26T16:51 _audit_creation_method 'created in GSAS-II' _audit_update_record ; 2017-01-13 deposited with the CCDC. 2017-04-07 downloaded from the CCDC. ; _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 32 _cell_length_a 18.854(27) _cell_length_b 18.854(27) _cell_length_c 18.292(23) _cell_volume 6502(16) _computing_structure_refinement 'GSAS-II (Toby & Von Dreele, J. Appl. Cryst. 46, 544-549, 2013)' _diffrn_ambient_pressure 100 _diffrn_ambient_temperature 300 _diffrn_radiation_polarisn_ratio 2.8(28) _diffrn_radiation_probe x-ray _diffrn_radiation_type K\a~1,2~ _pd_block_id 2016-12-26T16:51|B2|Uribe-Romo|MiniFlex600 _pd_calc_method 'Rietveld Refinement' _pd_instr_location ' ?' _pd_meas_2theta_range_inc 0.02000 _pd_meas_2theta_range_max 39.98000 _pd_meas_2theta_range_min 3.00000 _pd_phase_name MIL-125-NHhep_1 _pd_proc_2theta_range_inc 0.02000 _pd_proc_2theta_range_max 37.15798 _pd_proc_2theta_range_min 0.17798 _pd_proc_info_datetime 2016-12-26T16:51 _pd_proc_info_excluded_regions ' ?' _pd_proc_ls_background_function ; Background function: "chebyschev" function with 6 terms: 2.01(5)e3, -3.7(11)e2, -2.17(18)e3, -1.7(4)e3, 5.08(17)e3, -1.4(3)e3, ; _pd_proc_ls_pref_orient_corr ; Simple spherical harmonic correction Order = 2 Coefficients: 0:0:C(2,0) = -2.53(24); ; _pd_proc_ls_profile_function ; Finger-Cox-Jephcoat function parameters U, V, W, X, Y, SH/L: peak variance(Gauss) = Utan(Th)^2^+Vtan(Th)+W: peak HW(Lorentz) = X/cos(Th)+Ytan(Th); SH/L = S/L+H/L U, V, W in (centideg)^2^, X & Y in centideg 7.0(21)e3, -1.3(5)e3, 109(27), 6(6), 70(15), 0.0695(5), Crystallite size model "isotropic" for MIL-125-NHhep_1 (microns) parameters: Size, G/L mix 2(7), 1.000, Mustrain model "isotropic" for MIL-125-NHhep_1 (10^6^) parameters: Mustrain, G/L mix 15(26), 1.000, ; _pd_proc_ls_prof_R_factor 0.06291 _pd_proc_ls_prof_wR_expected 0.01663 _pd_proc_ls_prof_wR_factor 0.09196 _pd_proc_number_of_points 1850 _pd_spec_mounting ' ?' _refine_ls_goodness_of_fit_all 5.623 _refine_ls_matrix_type full _refine_ls_number_parameters 60 _refine_ls_R_Fsqd_factor 0.15916 _refine_ls_wR_factor_obs 0.09196 _reflns_d_resolution_high 2.464 _reflns_d_resolution_low 13.332 _reflns_limit_h_max 7 _reflns_limit_h_min 7 _reflns_limit_k_max 0 _reflns_limit_k_min 0 _reflns_limit_l_max 3 _reflns_limit_l_min 3 _reflns_number_total 88 _cod_data_source_file c7ta00437k2.cif _cod_data_source_block B2 _cod_original_cell_volume 6502(27) _cod_database_code 7200042 _refine_ls_r_f_factor 0.10029 _gsas_proc_ls_prof_r_b_factor 0.07049 _gsas_proc_ls_prof_wr_b_factor 0.10048 loop_ _space_group_symop_id _space_group_symop_operation_xyz 1 x,y,z 2 -y,x,z 3 -x,-y,z 4 y,-x,z 5 -x,y,z 6 -y,-x,z 7 x,-y,z 8 y,x,z 9 -x,-y,-z 10 y,-x,-z 11 x,y,-z 12 -y,x,-z 13 x,-y,-z 14 y,x,-z 15 -x,y,-z 16 -y,-x,-z 17 1/2+x,1/2+y,1/2+z 18 1/2-y,1/2+x,1/2+z 19 1/2-x,1/2-y,1/2+z 20 1/2+y,1/2-x,1/2+z 21 1/2-x,1/2+y,1/2+z 22 1/2-y,1/2-x,1/2+z 23 1/2+x,1/2-y,1/2+z 24 1/2+y,1/2+x,1/2+z 25 1/2-x,1/2-y,1/2-z 26 1/2+y,1/2-x,1/2-z 27 1/2+x,1/2+y,1/2-z 28 1/2-y,1/2+x,1/2-z 29 1/2+x,1/2-y,1/2-z 30 1/2+y,1/2+x,1/2-z 31 1/2-x,1/2+y,1/2-z 32 1/2-y,1/2-x,1/2-z loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_adp_type _atom_site_U_iso_or_equiv _atom_site_symmetry_multiplicity O1 O 0.22590 0.14420 0.42680 1.000 Uiso 0.08(20) 32 C2 C 0.19291 0.28122 0.28426 0.130 Uiso -0.4(8) 32 N3 N 0.13742 0.31587 0.31910 0.250 Uiso 0.1(5) 32 C4 C 0.07585 0.93031 0.95298 0.130 Uiso 0.2(10) 32 C5 C 0.69041 0.84186 0.43699 0.130 Uiso -0.1(15) 32 C6 C -0.40901 0.75345 0.92554 0.130 Uiso -0.3(6) 32 C7 C 0.46480 0.29270 0.84857 0.130 Uiso -5.4(7) 32 C8 C 0.27840 -0.73561 0.63308 0.130 Uiso -0.0(5) 32 C9 C 0.70044 0.28626 0.84446 0.130 Uiso -0.3(7) 32 C10 C 0.44058 0.26993 0.82850 0.130 Uiso -2.1(7) 32 C11 C 0.57914 0.42088 0.75984 0.130 Uiso -2.7(5) 32 C12 C 0.75979 0.14703 0.73076 0.130 Uiso 0.5(29) 32 C13 C 0.81982 0.22603 0.78947 0.130 Uiso 0.1(5) 32 C14 C -0.83465 1.63676 -0.05299 0.130 Uiso -1.1(9) 32 C15 C 0.71684 0.61524 0.74327 0.130 Uiso -4.1(11) 32 C16 C 1.17159 0.61056 0.58168 0.130 Uiso 2(6) 32 C17 C 0.28572 0.75665 0.21800 0.130 Uiso -0.1(7) 32 C18 C 0.87058 0.61801 0.21472 0.130 Uiso -2.7(9) 32 C19 C 0.47749 0.48109 0.34771 0.130 Uiso 1(14) 32 C20 C 0.95350 0.76164 0.36406 0.130 Uiso -0.3(7) 32 C21 C 0.55010 0.54162 0.28089 0.130 Uiso 0.3(28) 32 C22 C 0.49006 0.47606 0.35509 0.130 Uiso 2(15) 32 C23 C 0.47193 0.55935 0.29016 0.130 Uiso -4(3) 32 C24 C 1.03697 0.03807 0.20403 0.130 Uiso -3.3(19) 32 Ti25 Ti 0.20830 0.07400 0.50000 0.500 Uiso 0.17(15) 16 O26 O 0.31110 0.05800 0.50000 0.500 Uiso 1.0(7) 16 C27 C 0.46333 0.06514 0.50000 0.500 Uiso 0.6(5) 16 N28 N 0.42348 0.12294 0.50000 0.130 Uiso 0.1(11) 16 O29 O 0.18190 0.00000 0.42650 0.500 Uiso -0.39(16) 16 O30 O 0.10740 0.10740 0.50000 0.250 Uiso -0.7(4) 8 C31 C 0.35070 0.00000 0.50000 0.250 Uiso 0.1(11) 8 C32 C 0.42650 0.00000 0.50000 0.250 Uiso -1.9(8) 8 C33 C 0.19400 0.19400 0.40230 0.500 Uiso -0.9(5) 16 C34 C 0.22250 0.22250 0.32090 0.500 Uiso -0.1(4) 16 Ow18 O 0.00000 0.00000 0.543(6) 2.20(27) Uiso 0.253 4 Ow22 O 0.00000 0.215(6) 0.00000 2.09(23) Uiso 0.253 8 loop_ _atom_type_symbol _atom_type_number_in_cell C 119.52 N 10.08 O 75.544 Ti 8 loop_ _diffrn_radiation_wavelength _diffrn_radiation_wavelength_wt _diffrn_radiation_wavelength_id 1.54050 1.0 1 1.54430 0.5000 2 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_2 _geom_angle_site_symmetry_3 _geom_angle_publ_flag C6 O1 Ti25 58.624 24_454 1_555 1_555 yes C6 O1 C33 156.373 24_454 1_555 1_555 yes Ti25 O1 C33 135.663 1_555 1_555 1_555 yes C2 C2 N3 119.909 32_555 1_555 1_555 yes C2 C2 C12 105.464 32_555 1_555 10_566 yes N3 C2 C12 82.193 1_555 1_555 10_566 yes C2 C2 C17 23.496 32_555 1_555 2_655 yes N3 C2 C17 143.052 1_555 1_555 2_655 yes C12 C2 C17 107.568 10_566 1_555 2_655 yes C2 C2 C17 88.547 32_555 1_555 31_545 yes N3 C2 C17 151.46 1_555 1_555 31_545 yes C12 C2 C17 88.368 10_566 1_555 31_545 yes C17 C2 C17 65.486 2_655 1_555 31_545 yes C2 C2 C34 123.332 32_555 1_555 1_555 yes N3 C2 C34 116.724 1_555 1_555 1_555 yes C12 C2 C34 83.531 10_566 1_555 1_555 yes C17 C2 C34 99.949 2_655 1_555 1_555 yes C17 C2 C34 35.044 31_545 1_555 1_555 yes C2 N3 C18 112.306 1_555 1_555 30_445 yes O1 C6 C20 116.415 24_455 1_555 19_565 yes O1 C6 Ti25 85.284 24_455 1_555 24_455 yes C20 C6 Ti25 115.813 19_565 1_555 24_455 yes C7 C7 C10 128.951 5_655 1_555 1_555 yes C7 C7 C20 108.123 5_655 1_555 17_445 yes C10 C7 C20 60.509 1_555 1_555 17_445 yes C17 C9 C17 44.233 9_666 1_555 14_556 yes C17 C9 C33 163.649 9_666 1_555 20_555 yes C17 C9 C33 139.716 14_556 1_555 20_555 yes C17 C9 C34 33.88 9_666 1_555 20_555 yes C17 C9 C34 15.082 14_556 1_555 20_555 yes C33 C9 C34 144.118 20_555 1_555 20_555 yes C7 C10 C20 56.835 1_555 1_555 17_445 yes C21 C11 C21 11.14 10_566 1_555 13_566 yes C21 C11 C23 12.66 10_566 1_555 9_666 yes C21 C11 C23 23.508 13_566 1_555 9_666 yes C21 C11 C23 23.514 10_566 1_555 14_556 yes C21 C11 C23 12.667 13_566 1_555 14_556 yes C23 C11 C23 35.196 9_666 1_555 14_556 yes C21 C11 C24 6.652 10_566 1_555 20_565 yes C21 C11 C24 5.64 13_566 1_555 20_565 yes C23 C11 C24 18.21 9_666 1_555 20_565 yes C23 C11 C24 17.104 14_556 1_555 20_565 yes C21 C11 C24 5.646 10_566 1_555 23_455 yes C21 C11 C24 6.645 13_566 1_555 23_455 yes C23 C11 C24 17.105 9_666 1_555 23_455 yes C23 C11 C24 18.209 14_556 1_555 23_455 yes C24 C11 C24 1.109 20_565 1_555 23_455 yes C2 C12 C13 88.534 12_656 1_555 6_665 yes C2 C12 C15 160.116 12_656 1_555 31_646 yes C13 C12 C15 76.94 6_665 1_555 31_646 yes C2 C12 C17 27.637 12_656 1_555 22_655 yes C13 C12 C17 74.204 6_665 1_555 22_655 yes C15 C12 C17 149.402 31_646 1_555 22_655 yes C12 C13 C13 119.766 6_665 1_555 6_665 yes C12 C13 C15 38.751 6_665 1_555 28_646 yes C13 C13 C15 122.752 6_665 1_555 28_646 yes C5 C14 C16 98.459 23_374 1_555 30_355 yes C12 C15 C13 64.309 31_656 1_555 26_566 yes C2 C17 C2 67.957 4_565 1_555 31_555 yes C2 C17 C9 172.08 4_565 1_555 9_666 yes C2 C17 C9 104.706 31_555 1_555 9_666 yes C2 C17 C9 174.512 4_565 1_555 14_556 yes C2 C17 C9 117.292 31_555 1_555 14_556 yes C9 C17 C9 12.652 9_666 1_555 14_556 yes C2 C17 C12 93.344 4_565 1_555 22_564 yes C2 C17 C12 63.995 31_555 1_555 22_564 yes C9 C17 C12 80.393 9_666 1_555 22_564 yes C9 C17 C12 87.925 14_556 1_555 22_564 yes C2 C17 C17 113.388 4_565 1_555 6_665 yes C2 C17 C17 174.47 31_555 1_555 6_665 yes C9 C17 C17 74.209 9_666 1_555 6_665 yes C9 C17 C17 61.557 14_556 1_555 6_665 yes C12 C17 C17 120.723 22_564 1_555 6_665 yes C2 C17 C17 23.5 4_565 1_555 30_455 yes C2 C17 C17 91.014 31_555 1_555 30_455 yes C9 C17 C17 164.209 9_666 1_555 30_455 yes C9 C17 C17 151.557 14_556 1_555 30_455 yes C12 C17 C17 108.521 22_564 1_555 30_455 yes C17 C17 C17 90 6_665 1_555 30_455 yes C2 C17 C34 167.04 4_565 1_555 28_555 yes C2 C17 C34 123.641 31_555 1_555 28_555 yes C9 C17 C34 20.876 9_666 1_555 28_555 yes C9 C17 C34 9.574 14_556 1_555 28_555 yes C12 C17 C34 97.263 22_564 1_555 28_555 yes C17 C17 C34 54.469 6_665 1_555 28_555 yes C17 C17 C34 143.774 30_455 1_555 28_555 yes N3 C18 C18 124.389 30_555 1_555 32_665 yes C19 C19 C19 45 2_655 1_555 3_665 yes C19 C19 C19 90 2_655 1_555 4_565 yes C19 C19 C19 45 3_665 1_555 4_565 yes C19 C19 C19 4.96 2_655 1_555 5_655 yes C19 C19 C19 40.04 3_665 1_555 5_655 yes C19 C19 C19 85.04 4_565 1_555 5_655 yes C19 C19 C19 49.96 2_655 1_555 6_665 yes C19 C19 C19 4.96 3_665 1_555 6_665 yes C19 C19 C19 40.04 4_565 1_555 6_665 yes C19 C19 C19 45 5_655 1_555 6_665 yes C19 C19 C19 94.96 2_655 1_555 7_565 yes C19 C19 C19 49.96 3_665 1_555 7_565 yes C19 C19 C19 4.96 4_565 1_555 7_565 yes C19 C19 C19 90 5_655 1_555 7_565 yes C19 C19 C19 45 6_665 1_555 7_565 yes C19 C19 C21 110.17 2_655 1_555 3_665 yes C19 C19 C21 118.864 3_665 1_555 3_665 yes C19 C19 C21 109.748 4_565 1_555 3_665 yes C19 C19 C21 111.884 5_655 1_555 3_665 yes C19 C19 C21 118.718 6_665 1_555 3_665 yes C19 C19 C21 107.867 7_565 1_555 3_665 yes C19 C19 C21 102.687 2_655 1_555 6_665 yes C19 C19 C21 117.785 3_665 1_555 6_665 yes C19 C19 C21 116.079 4_565 1_555 6_665 yes C19 C19 C21 104.881 5_655 1_555 6_665 yes C19 C19 C21 118.545 6_665 1_555 6_665 yes C19 C19 C21 114.77 7_565 1_555 6_665 yes C21 C19 C21 9.256 3_665 1_555 6_665 yes C19 C19 C22 18.02 2_655 1_555 2_655 yes C19 C19 C22 30.249 3_665 1_555 2_655 yes C19 C19 C22 74.294 4_565 1_555 2_655 yes C19 C19 C22 13.882 5_655 1_555 2_655 yes C19 C19 C22 35.014 6_665 1_555 2_655 yes C19 C19 C22 79.195 7_565 1_555 2_655 yes C21 C19 C22 123.4 3_665 1_555 2_655 yes C21 C19 C22 117.275 6_665 1_555 2_655 yes C19 C19 C22 58.142 2_655 1_555 3_665 yes C19 C19 C22 14.873 3_665 1_555 3_665 yes C19 C19 C22 32.963 4_565 1_555 3_665 yes C19 C19 C22 53.246 5_655 1_555 3_665 yes C19 C19 C22 10.915 6_665 1_555 3_665 yes C19 C19 C22 37.791 7_565 1_555 3_665 yes C21 C19 C22 125.533 3_665 1_555 3_665 yes C21 C19 C22 126.857 6_665 1_555 3_665 yes C22 C19 C22 41.511 2_655 1_555 3_665 yes C19 C19 C22 97.576 2_655 1_555 4_565 yes C19 C19 C22 54.075 3_665 1_555 4_565 yes C19 C19 C22 15.928 4_565 1_555 4_565 yes C19 C19 C22 92.763 5_655 1_555 4_565 yes C19 C19 C22 49.354 6_665 1_555 4_565 yes C19 C19 C22 14.209 7_565 1_555 4_565 yes C21 C19 C22 119.355 3_665 1_555 4_565 yes C21 C19 C22 127.113 6_665 1_555 4_565 yes C22 C19 C22 80.156 2_655 1_555 4_565 yes C22 C19 C22 39.734 3_665 1_555 4_565 yes C19 C19 C22 12.886 2_655 1_555 5_655 yes C19 C19 C22 49.991 3_665 1_555 5_655 yes C19 C19 C22 93.762 4_565 1_555 5_655 yes C19 C19 C22 15.096 5_655 1_555 5_655 yes C19 C19 C22 54.768 6_665 1_555 5_655 yes C19 C19 C22 98.607 7_565 1_555 5_655 yes C21 C19 C22 120.041 3_665 1_555 5_655 yes C21 C19 C22 111.771 6_665 1_555 5_655 yes C22 C19 C22 19.755 2_655 1_555 5_655 yes C22 C19 C22 60.815 3_665 1_555 5_655 yes C22 C19 C22 98.066 4_565 1_555 5_655 yes C19 C19 C22 37.453 2_655 1_555 6_665 yes C19 C19 C22 11.064 3_665 1_555 6_665 yes C19 C19 C22 53.553 4_565 1_555 6_665 yes C19 C19 C22 32.622 5_655 1_555 6_665 yes C19 C19 C22 15.089 6_665 1_555 6_665 yes C19 C19 C22 58.452 7_565 1_555 6_665 yes C21 C19 C22 126.03 3_665 1_555 6_665 yes C21 C19 C22 123.274 6_665 1_555 6_665 yes C22 C19 C22 20.743 2_655 1_555 6_665 yes C22 C19 C22 20.835 3_665 1_555 6_665 yes C22 C19 C22 60.141 4_565 1_555 6_665 yes C22 C19 C22 40.309 5_655 1_555 6_665 yes C19 C19 C22 78.765 2_655 1_555 7_565 yes C19 C19 C22 34.692 3_665 1_555 7_565 yes C19 C19 C22 14.542 4_565 1_555 7_565 yes C19 C19 C22 73.871 5_655 1_555 7_565 yes C19 C19 C22 29.956 6_665 1_555 7_565 yes C19 C19 C22 18.65 7_565 1_555 7_565 yes C21 C19 C22 122.205 3_665 1_555 7_565 yes C21 C19 C22 127.32 6_665 1_555 7_565 yes C22 C19 C22 61.899 2_655 1_555 7_565 yes C22 C19 C22 20.625 3_665 1_555 7_565 yes C22 C19 C22 19.398 4_565 1_555 7_565 yes C22 C19 C22 80.783 5_655 1_555 7_565 yes C22 C19 C22 41.385 6_665 1_555 7_565 yes C19 C19 C23 122.131 2_655 1_555 2_655 yes C19 C19 C23 120.333 3_665 1_555 2_655 yes C19 C19 C23 100.506 4_565 1_555 2_655 yes C19 C19 C23 123.068 5_655 1_555 2_655 yes C19 C19 C23 118.8 6_665 1_555 2_655 yes C19 C19 C23 97.798 7_565 1_555 2_655 yes C21 C19 C23 14.253 3_665 1_555 2_655 yes C21 C19 C23 23.48 6_665 1_555 2_655 yes C22 C19 C23 132.762 2_655 1_555 2_655 yes C22 C19 C23 122.885 3_665 1_555 2_655 yes C22 C19 C23 107.713 4_565 1_555 2_655 yes C22 C19 C23 133.06 5_655 1_555 2_655 yes C22 C19 C23 129.64 6_665 1_555 2_655 yes C22 C19 C23 114.275 7_565 1_555 2_655 yes C19 C19 C23 119.913 2_655 1_555 6_665 yes C19 C19 C23 88.584 3_665 1_555 6_665 yes C19 C19 C23 57.749 4_565 1_555 6_665 yes C19 C19 C23 116.787 5_655 1_555 6_665 yes C19 C19 C23 84.967 6_665 1_555 6_665 yes C19 C19 C23 54.918 7_565 1_555 6_665 yes C21 C19 C23 53.855 3_665 1_555 6_665 yes C21 C19 C23 61.977 6_665 1_555 6_665 yes C22 C19 C23 115.597 2_655 1_555 6_665 yes C22 C19 C23 84.59 3_665 1_555 6_665 yes C22 C19 C23 65.512 4_565 1_555 6_665 yes C22 C19 C23 131.815 5_655 1_555 6_665 yes C22 C19 C23 99.648 6_665 1_555 6_665 yes C22 C19 C23 71.869 7_565 1_555 6_665 yes C23 C19 C23 42.88 2_655 1_555 6_665 yes C19 C19 C23 91.698 2_655 1_555 7_565 yes C19 C19 C23 115.958 3_665 1_555 7_565 yes C19 C19 C23 126.114 4_565 1_555 7_565 yes C19 C19 C23 94.616 5_655 1_555 7_565 yes C19 C19 C23 118.054 6_665 1_555 7_565 yes C19 C19 C23 125.777 7_565 1_555 7_565 yes C21 C19 C23 23.601 3_665 1_555 7_565 yes C21 C19 C23 14.372 6_665 1_555 7_565 yes C22 C19 C23 107.975 2_655 1_555 7_565 yes C22 C19 C23 128.083 3_665 1_555 7_565 yes C22 C19 C23 139.215 4_565 1_555 7_565 yes C22 C19 C23 99.339 5_655 1_555 7_565 yes C22 C19 C23 118.59 6_665 1_555 7_565 yes C22 C19 C23 134.761 7_565 1_555 7_565 yes C23 C19 C23 37.736 2_655 1_555 7_565 yes C23 C19 C23 75.423 6_665 1_555 7_565 yes C19 C19 C24 103.253 2_655 1_555 25_655 yes C19 C19 C24 114.867 3_665 1_555 25_655 yes C19 C19 C24 111.435 4_565 1_555 25_655 yes C19 C19 C24 105.07 5_655 1_555 25_655 yes C19 C19 C24 115.295 6_665 1_555 25_655 yes C19 C19 C24 110.137 7_565 1_555 25_655 yes C21 C19 C24 6.977 3_665 1_555 25_655 yes C21 C19 C24 4.645 6_665 1_555 25_655 yes C22 C19 C24 116.873 2_655 1_555 25_655 yes C22 C19 C24 123.148 3_665 1_555 25_655 yes C22 C19 C24 122.57 4_565 1_555 25_655 yes C22 C19 C24 113.067 5_655 1_555 25_655 yes C22 C19 C24 121.084 6_665 1_555 25_655 yes C22 C19 C24 122.772 7_565 1_555 25_655 yes C23 C19 C24 20.832 2_655 1_555 25_655 yes C23 C19 C24 57.62 6_665 1_555 25_655 yes C23 C19 C24 18.103 7_565 1_555 25_655 yes C19 C19 C24 39.917 2_655 1_555 26_565 yes C19 C19 C24 64.496 3_665 1_555 26_565 yes C19 C19 C24 99.093 4_565 1_555 26_565 yes C19 C19 C24 41.372 5_655 1_555 26_565 yes C19 C19 C24 68.136 6_665 1_555 26_565 yes C19 C19 C24 102.93 7_565 1_555 26_565 yes C21 C19 C24 70.513 3_665 1_555 26_565 yes C21 C19 C24 63.726 6_665 1_555 26_565 yes C22 C19 C24 53.598 2_655 1_555 26_565 yes C22 C19 C24 79.044 3_665 1_555 26_565 yes C22 C19 C24 113.752 4_565 1_555 26_565 yes C22 C19 C24 51.284 5_655 1_555 26_565 yes C22 C19 C24 64.267 6_665 1_555 26_565 yes C22 C19 C24 95.857 7_565 1_555 26_565 yes C23 C19 C24 82.23 2_655 1_555 26_565 yes C23 C19 C24 92.408 6_665 1_555 26_565 yes C23 C19 C24 55.075 7_565 1_555 26_565 yes C24 C19 C24 63.705 25_655 1_555 26_565 yes C19 C19 C24 105.371 2_655 1_555 28_545 yes C19 C19 C24 71.739 3_665 1_555 28_545 yes C19 C19 C24 44.911 4_565 1_555 28_545 yes C19 C19 C24 101.703 5_655 1_555 28_545 yes C19 C19 C24 68.181 6_665 1_555 28_545 yes C19 C19 C24 43.242 7_565 1_555 28_545 yes C21 C19 C24 64.839 3_665 1_555 28_545 yes C21 C19 C24 71.531 6_665 1_555 28_545 yes C22 C19 C24 99.11 2_655 1_555 28_545 yes C22 C19 C24 68.417 3_665 1_555 28_545 yes C22 C19 C24 56.05 4_565 1_555 28_545 yes C22 C19 C24 116.381 5_655 1_555 28_545 yes C22 C19 C24 82.802 6_665 1_555 28_545 yes C22 C19 C24 57.98 7_565 1_555 28_545 yes C23 C19 C24 56.428 2_655 1_555 28_545 yes C23 C19 C24 16.851 6_665 1_555 28_545 yes C23 C19 C24 83.182 7_565 1_555 28_545 yes C24 C19 C24 66.903 25_655 1_555 28_545 yes C24 C19 C24 84.737 26_565 1_555 28_545 yes C19 C19 C24 40.541 2_655 1_555 29_455 yes C19 C19 C24 65.52 3_665 1_555 29_455 yes C19 C19 C24 100.016 4_565 1_555 29_455 yes C19 C19 C24 42.093 5_655 1_555 29_455 yes C19 C19 C24 69.162 6_665 1_555 29_455 yes C19 C19 C24 103.827 7_565 1_555 29_455 yes C21 C19 C24 69.805 3_665 1_555 29_455 yes C21 C19 C24 62.935 6_665 1_555 29_455 yes C22 C19 C24 54.422 2_655 1_555 29_455 yes C22 C19 C24 80.07 3_665 1_555 29_455 yes C22 C19 C24 114.72 4_565 1_555 29_455 yes C22 C19 C24 51.777 5_655 1_555 29_455 yes C22 C19 C24 65.254 6_665 1_555 29_455 yes C22 C19 C24 96.863 7_565 1_555 29_455 yes C23 C19 C24 81.637 2_655 1_555 29_455 yes C23 C19 C24 92.522 6_665 1_555 29_455 yes C23 C19 C24 54.154 7_565 1_555 29_455 yes C24 C19 C24 62.977 25_655 1_555 29_455 yes C24 C19 C24 1.026 26_565 1_555 29_455 yes C24 C19 C24 85.112 28_545 1_555 29_455 yes C19 C19 C24 104.488 2_655 1_555 31_655 yes C19 C19 C24 70.677 3_665 1_555 31_655 yes C19 C19 C24 44.1 4_565 1_555 31_655 yes C19 C19 C24 100.786 5_655 1_555 31_655 yes C19 C19 C24 67.117 6_665 1_555 31_655 yes C19 C19 C24 42.517 7_565 1_555 31_655 yes C21 C19 C24 65.65 3_665 1_555 31_655 yes C21 C19 C24 72.253 6_665 1_555 31_655 yes C22 C19 C24 98.09 2_655 1_555 31_655 yes C22 C19 C24 67.375 3_665 1_555 31_655 yes C22 C19 C24 55.441 4_565 1_555 31_655 yes C22 C19 C24 115.43 5_655 1_555 31_655 yes C22 C19 C24 81.74 6_665 1_555 31_655 yes C22 C19 C24 57.076 7_565 1_555 31_655 yes C23 C19 C24 57.376 2_655 1_555 31_655 yes C23 C19 C24 17.911 6_665 1_555 31_655 yes C23 C19 C24 83.777 7_565 1_555 31_655 yes C24 C19 C24 67.619 25_655 1_555 31_655 yes C24 C19 C24 84.348 26_565 1_555 31_655 yes C24 C19 C24 1.065 28_545 1_555 31_655 yes C24 C19 C24 84.74 29_455 1_555 31_655 yes C19 C19 C24 104.528 2_655 1_555 32_565 yes C19 C19 C24 115.053 3_665 1_555 32_565 yes C19 C19 C24 110.365 4_565 1_555 32_565 yes C19 C19 C24 106.261 5_655 1_555 32_565 yes C19 C19 C24 115.329 6_665 1_555 32_565 yes C19 C19 C24 108.966 7_565 1_555 32_565 yes C21 C19 C24 5.641 3_665 1_555 32_565 yes C21 C19 C24 5.85 6_665 1_555 32_565 yes C22 C19 C24 117.905 2_655 1_555 32_565 yes C22 C19 C24 122.937 3_665 1_555 32_565 yes C22 C19 C24 121.264 4_565 1_555 32_565 yes C22 C19 C24 114.472 5_655 1_555 32_565 yes C22 C19 C24 121.549 6_665 1_555 32_565 yes C22 C19 C24 121.925 7_565 1_555 32_565 yes C23 C19 C24 19.285 2_655 1_555 32_565 yes C23 C19 C24 56.193 6_665 1_555 32_565 yes C23 C19 C24 19.647 7_565 1_555 32_565 yes C24 C19 C24 1.592 25_655 1_555 32_565 yes C24 C19 C24 64.889 26_565 1_555 32_565 yes C24 C19 C24 65.724 28_545 1_555 32_565 yes C24 C19 C24 64.176 29_455 1_555 32_565 yes C24 C19 C24 66.457 31_655 1_555 32_565 yes C6 C20 C7 132.634 19_564 1_555 17_554 yes C6 C20 C10 124.103 19_564 1_555 17_554 yes C7 C20 C10 62.656 17_554 1_555 17_554 yes C11 C21 C11 0.033 12_656 1_555 13_566 yes C11 C21 C19 157.249 12_656 1_555 3_665 yes C11 C21 C19 157.26 13_566 1_555 3_665 yes C11 C21 C19 155.569 12_656 1_555 6_665 yes C11 C21 C19 155.585 13_566 1_555 6_665 yes C19 C21 C19 3.912 3_665 1_555 6_665 yes C11 C21 C22 159.475 12_656 1_555 6_665 yes C11 C21 C22 159.479 13_566 1_555 6_665 yes C19 C21 C22 5.44 3_665 1_555 6_665 yes C19 C21 C22 9.324 6_665 1_555 6_665 yes C11 C21 C23 113.161 12_656 1_555 1_555 yes C11 C21 C23 113.192 13_566 1_555 1_555 yes C19 C21 C23 66.961 3_665 1_555 1_555 yes C19 C21 C23 63.473 6_665 1_555 1_555 yes C22 C21 C23 71.424 6_665 1_555 1_555 yes C11 C21 C23 100.35 12_656 1_555 5_655 yes C11 C21 C23 100.382 13_566 1_555 5_655 yes C19 C21 C23 68.985 3_665 1_555 5_655 yes C19 C21 C23 65.08 6_665 1_555 5_655 yes C22 C21 C23 74.401 6_665 1_555 5_655 yes C23 C21 C23 27.799 1_555 1_555 5_655 yes C11 C21 C23 128.124 12_656 1_555 8_555 yes C11 C21 C23 128.094 13_566 1_555 8_555 yes C19 C21 C23 68.652 3_665 1_555 8_555 yes C19 C21 C23 72.047 6_665 1_555 8_555 yes C22 C21 C23 63.594 6_665 1_555 8_555 yes C23 C21 C23 109.179 1_555 1_555 8_555 yes C23 C21 C23 130.251 5_655 1_555 8_555 yes C11 C21 C24 140.946 12_656 1_555 26_565 yes C11 C21 C24 140.919 13_566 1_555 26_565 yes C19 C21 C24 59.195 3_665 1_555 26_565 yes C19 C21 C24 61.997 6_665 1_555 26_565 yes C22 C21 C24 54.857 6_665 1_555 26_565 yes C23 C21 C24 92.828 1_555 1_555 26_565 yes C23 C21 C24 114.566 5_655 1_555 26_565 yes C23 C21 C24 16.369 8_555 1_555 26_565 yes C11 C21 C24 141.193 12_656 1_555 29_455 yes C11 C21 C24 141.167 13_566 1_555 29_455 yes C19 C21 C24 59.104 3_665 1_555 29_455 yes C19 C21 C24 61.869 6_665 1_555 29_455 yes C22 C21 C24 54.811 6_665 1_555 29_455 yes C23 C21 C24 92.213 1_555 1_555 29_455 yes C23 C21 C24 114.053 5_655 1_555 29_455 yes C23 C21 C24 16.975 8_555 1_555 29_455 yes C24 C21 C24 0.659 26_565 1_555 29_455 yes C19 C22 C19 49.461 2_655 1_555 3_665 yes C19 C22 C19 95.676 2_655 1_555 4_565 yes C19 C22 C19 47.564 3_665 1_555 4_565 yes C19 C22 C19 6.03 2_655 1_555 5_655 yes C19 C22 C19 43.602 3_665 1_555 5_655 yes C19 C22 C19 90.218 4_565 1_555 5_655 yes C19 C22 C19 54.615 2_655 1_555 6_665 yes C19 C22 C19 5.24 3_665 1_555 6_665 yes C19 C22 C19 42.353 4_565 1_555 6_665 yes C19 C22 C19 48.785 5_655 1_555 6_665 yes C19 C22 C19 100.691 2_655 1_555 7_565 yes C19 C22 C19 52.883 3_665 1_555 7_565 yes C19 C22 C19 5.37 4_565 1_555 7_565 yes C19 C22 C19 95.317 5_655 1_555 7_565 yes C19 C22 C19 47.682 6_665 1_555 7_565 yes C19 C22 C21 100.177 2_655 1_555 6_665 yes C19 C22 C21 111.305 3_665 1_555 6_665 yes C19 C22 C21 96.007 4_565 1_555 6_665 yes C19 C22 C21 103.363 5_655 1_555 6_665 yes C19 C22 C21 110.667 6_665 1_555 6_665 yes C19 C22 C21 93.167 7_565 1_555 6_665 yes C19 C22 C22 23.885 2_655 1_555 2_655 yes C19 C22 C22 31.263 3_665 1_555 2_655 yes C19 C22 C22 78.613 4_565 1_555 2_655 yes C19 C22 C22 18.291 5_655 1_555 2_655 yes C19 C22 C22 36.373 6_665 1_555 2_655 yes C19 C22 C22 83.97 7_565 1_555 2_655 yes C21 C22 C22 118.278 6_665 1_555 2_655 yes C19 C22 C22 65.399 2_655 1_555 3_665 yes C19 C22 C22 16.401 3_665 1_555 3_665 yes C19 C22 C22 34.446 4_565 1_555 3_665 yes C19 C22 C22 59.437 5_655 1_555 3_665 yes C19 C22 C22 11.902 6_665 1_555 3_665 yes C19 C22 C22 39.781 7_565 1_555 3_665 yes C21 C22 C22 115.977 6_665 1_555 3_665 yes C22 C22 C22 45 2_655 1_555 3_665 yes C19 C22 C22 109.003 2_655 1_555 4_565 yes C19 C22 C22 59.876 3_665 1_555 4_565 yes C19 C22 C22 14.346 4_565 1_555 4_565 yes C19 C22 C22 103.318 5_655 1_555 4_565 yes C19 C22 C22 54.645 6_665 1_555 4_565 yes C19 C22 C22 10.956 7_565 1_555 4_565 yes C21 C22 C22 98.378 6_665 1_555 4_565 yes C22 C22 C22 90 2_655 1_555 4_565 yes C22 C22 C22 45 3_665 1_555 4_565 yes C19 C22 C22 43.982 2_655 1_555 6_665 yes C19 C22 C22 10.915 3_665 1_555 6_665 yes C19 C22 C22 56.366 4_565 1_555 6_665 yes C19 C22 C22 37.952 5_655 1_555 6_665 yes C19 C22 C22 15.089 6_665 1_555 6_665 yes C19 C22 C22 61.735 7_565 1_555 6_665 yes C21 C22 C22 119.564 6_665 1_555 6_665 yes C22 C22 C22 22.552 2_655 1_555 6_665 yes C22 C22 C22 22.448 3_665 1_555 6_665 yes C22 C22 C22 67.448 4_565 1_555 6_665 yes C19 C22 C22 87.237 2_655 1_555 7_565 yes C19 C22 C22 37.791 3_665 1_555 7_565 yes C19 C22 C22 13.882 4_565 1_555 7_565 yes C19 C22 C22 81.393 5_655 1_555 7_565 yes C19 C22 C22 32.622 6_665 1_555 7_565 yes C19 C22 C22 18.65 7_565 1_555 7_565 yes C21 C22 C22 108.394 6_665 1_555 7_565 yes C22 C22 C22 67.552 2_655 1_555 7_565 yes C22 C22 C22 22.552 3_665 1_555 7_565 yes C22 C22 C22 22.448 4_565 1_555 7_565 yes C22 C22 C22 45 6_665 1_555 7_565 yes C19 C22 C23 114.253 2_655 1_555 2_655 yes C19 C22 C23 107.799 3_665 1_555 2_655 yes C19 C22 C23 79.446 4_565 1_555 2_655 yes C19 C22 C23 115.799 5_655 1_555 2_655 yes C19 C22 C23 105.293 6_665 1_555 2_655 yes C19 C22 C23 75.709 7_565 1_555 2_655 yes C21 C22 C23 20.879 6_665 1_555 2_655 yes C22 C22 C23 126.104 2_655 1_555 2_655 yes C22 C22 C23 106.496 3_665 1_555 2_655 yes C22 C22 C23 79.182 4_565 1_555 2_655 yes C22 C22 C23 118.178 6_665 1_555 2_655 yes C22 C22 C23 92.954 7_565 1_555 2_655 yes C19 C22 C23 51.969 2_655 1_555 3_665 yes C19 C22 C23 87.831 3_665 1_555 3_665 yes C19 C22 C23 113.122 4_565 1_555 3_665 yes C19 C22 C23 56.699 5_655 1_555 3_665 yes C19 C22 C23 91.226 6_665 1_555 3_665 yes C19 C22 C23 114.706 7_565 1_555 3_665 yes C21 C22 C23 51.025 6_665 1_555 3_665 yes C22 C22 C23 74.651 2_655 1_555 3_665 yes C22 C22 C23 102.821 3_665 1_555 3_665 yes C22 C22 C23 125.346 4_565 1_555 3_665 yes C22 C22 C23 88.706 6_665 1_555 3_665 yes C22 C22 C23 115.696 7_565 1_555 3_665 yes C23 C22 C23 70.016 2_655 1_555 3_665 yes C19 C22 C23 93.17 2_655 1_555 7_565 yes C19 C22 C23 114.169 3_665 1_555 7_565 yes C19 C22 C23 106.804 4_565 1_555 7_565 yes C19 C22 C23 97.228 5_655 1_555 7_565 yes C19 C22 C23 114.69 6_665 1_555 7_565 yes C19 C22 C23 104.402 7_565 1_555 7_565 yes C21 C22 C23 12.218 6_665 1_555 7_565 yes C22 C22 C23 113.976 2_655 1_555 7_565 yes C22 C22 C23 122.154 3_665 1_555 7_565 yes C22 C22 C23 110.26 4_565 1_555 7_565 yes C22 C22 C23 120.536 6_665 1_555 7_565 yes C22 C22 C23 118.373 7_565 1_555 7_565 yes C23 C22 C23 32.973 2_655 1_555 7_565 yes C23 C22 C23 41.829 3_665 1_555 7_565 yes C19 C22 C24 101.614 2_655 1_555 25_655 yes C19 C22 C24 107.708 3_665 1_555 25_655 yes C19 C22 C24 90.051 4_565 1_555 25_655 yes C19 C22 C24 104.244 5_655 1_555 25_655 yes C19 C22 C24 106.627 6_665 1_555 25_655 yes C19 C22 C24 87.168 7_565 1_555 25_655 yes C21 C22 C24 6.007 6_665 1_555 25_655 yes C22 C22 C24 117.877 2_655 1_555 25_655 yes C22 C22 C24 111.124 3_665 1_555 25_655 yes C22 C22 C24 92.412 4_565 1_555 25_655 yes C22 C22 C24 116.613 6_665 1_555 25_655 yes C22 C22 C24 102.559 7_565 1_555 25_655 yes C23 C22 C24 15.954 2_655 1_555 25_655 yes C23 C22 C24 54.422 3_665 1_555 25_655 yes C23 C22 C24 17.981 7_565 1_555 25_655 yes C19 C22 C24 38.141 2_655 1_555 26_565 yes C19 C22 C24 69.97 3_665 1_555 26_565 yes C19 C22 C24 99.907 4_565 1_555 26_565 yes C19 C22 C24 41.771 5_655 1_555 26_565 yes C19 C22 C24 73.477 6_665 1_555 26_565 yes C19 C22 C24 102.628 7_565 1_555 26_565 yes C21 C22 C24 62.053 6_665 1_555 26_565 yes C22 C22 C24 58.746 2_655 1_555 26_565 yes C22 C22 C24 85.183 3_665 1_555 26_565 yes C22 C22 C24 113.583 4_565 1_555 26_565 yes C22 C22 C24 70.99 6_665 1_555 26_565 yes C22 C22 C24 99.883 7_565 1_555 26_565 yes C23 C22 C24 77.709 2_655 1_555 26_565 yes C23 C22 C24 17.888 3_665 1_555 26_565 yes C23 C22 C24 55.493 7_565 1_555 26_565 yes C24 C22 C24 63.814 25_655 1_555 26_565 yes C19 C22 C24 39.027 2_655 1_555 29_455 yes C19 C22 C24 71.059 3_665 1_555 29_455 yes C19 C22 C24 100.633 4_565 1_555 29_455 yes C19 C22 C24 42.736 5_655 1_555 29_455 yes C19 C22 C24 74.547 6_665 1_555 29_455 yes C19 C22 C24 103.282 7_565 1_555 29_455 yes C21 C22 C24 61.196 6_665 1_555 29_455 yes C22 C22 C24 59.784 2_655 1_555 29_455 yes C22 C22 C24 86.24 3_665 1_555 29_455 yes C22 C22 C24 114.238 4_565 1_555 29_455 yes C22 C22 C24 72.101 6_665 1_555 29_455 yes C22 C22 C24 100.793 7_565 1_555 29_455 yes C23 C22 C24 77.059 2_655 1_555 29_455 yes C23 C22 C24 16.79 3_665 1_555 29_455 yes C23 C22 C24 54.507 7_565 1_555 29_455 yes C24 C22 C24 63.041 25_655 1_555 29_455 yes C24 C22 C24 1.111 26_565 1_555 29_455 yes C19 C22 C24 102.477 2_655 1_555 32_565 yes C19 C22 C24 107.448 3_665 1_555 32_565 yes C19 C22 C24 88.937 4_565 1_555 32_565 yes C19 C22 C24 105.002 5_655 1_555 32_565 yes C19 C22 C24 106.245 6_665 1_555 32_565 yes C19 C22 C24 85.998 7_565 1_555 32_565 yes C21 C22 C24 7.235 6_665 1_555 32_565 yes C22 C22 C24 118.359 2_655 1_555 32_565 yes C22 C22 C24 110.489 3_665 1_555 32_565 yes C22 C22 C24 91.147 4_565 1_555 32_565 yes C22 C22 C24 116.509 6_665 1_555 32_565 yes C22 C22 C24 101.53 7_565 1_555 32_565 yes C23 C22 C24 14.65 2_655 1_555 32_565 yes C23 C22 C24 55.624 3_665 1_555 32_565 yes C23 C22 C24 19.294 7_565 1_555 32_565 yes C24 C22 C24 1.346 25_655 1_555 32_565 yes C24 C22 C24 64.773 26_565 1_555 32_565 yes C24 C22 C24 64.015 29_455 1_555 32_565 yes C11 C23 C11 0.026 9_666 1_555 14_556 yes C11 C23 C19 142.228 9_666 1_555 4_565 yes C11 C23 C19 142.252 14_556 1_555 4_565 yes C11 C23 C19 167.399 9_666 1_555 6_665 yes C11 C23 C19 167.425 14_556 1_555 6_665 yes C19 C23 C19 27.284 4_565 1_555 6_665 yes C11 C23 C19 138.54 9_666 1_555 7_565 yes C11 C23 C19 138.565 14_556 1_555 7_565 yes C19 C23 C19 4.034 4_565 1_555 7_565 yes C19 C23 C19 30.553 6_665 1_555 7_565 yes C11 C23 C21 131.465 9_666 1_555 1_555 yes C11 C23 C21 131.453 14_556 1_555 1_555 yes C19 C23 C21 80.834 4_565 1_555 1_555 yes C19 C23 C21 54.55 6_665 1_555 1_555 yes C19 C23 C21 83.306 7_565 1_555 1_555 yes C11 C23 C21 56.111 9_666 1_555 5_655 yes C11 C23 C21 56.137 14_556 1_555 5_655 yes C19 C23 C21 91.44 4_565 1_555 5_655 yes C19 C23 C21 111.361 6_665 1_555 5_655 yes C19 C23 C21 87.414 7_565 1_555 5_655 yes C21 C23 C21 123.671 1_555 1_555 5_655 yes C11 C23 C21 129.622 9_666 1_555 8_555 yes C11 C23 C21 129.608 14_556 1_555 8_555 yes C19 C23 C21 84.272 4_565 1_555 8_555 yes C19 C23 C21 57.493 6_665 1_555 8_555 yes C19 C23 C21 86.955 7_565 1_555 8_555 yes C21 C23 C21 5.253 1_555 1_555 8_555 yes C21 C23 C21 127.85 5_655 1_555 8_555 yes C11 C23 C22 162.5 9_666 1_555 3_665 yes C11 C23 C22 162.525 14_556 1_555 3_665 yes C19 C23 C22 20.318 4_565 1_555 3_665 yes C19 C23 C22 8.119 6_665 1_555 3_665 yes C19 C23 C22 23.962 7_565 1_555 3_665 yes C21 C23 C22 62.578 1_555 1_555 3_665 yes C21 C23 C22 108.674 5_655 1_555 3_665 yes C21 C23 C22 65.381 8_555 1_555 3_665 yes C11 C23 C22 136.348 9_666 1_555 4_565 yes C11 C23 C22 136.373 14_556 1_555 4_565 yes C19 C23 C22 6.725 4_565 1_555 4_565 yes C19 C23 C22 32.421 6_665 1_555 4_565 yes C19 C23 C22 2.747 7_565 1_555 4_565 yes C21 C23 C22 84.384 1_555 1_555 4_565 yes C21 C23 C22 84.721 5_655 1_555 4_565 yes C21 C23 C22 88.194 8_555 1_555 4_565 yes C22 C23 C22 26.167 3_665 1_555 4_565 yes C11 C23 C22 149.195 9_666 1_555 7_565 yes C11 C23 C22 149.217 14_556 1_555 7_565 yes C19 C23 C22 7.453 4_565 1_555 7_565 yes C19 C23 C22 21.318 6_665 1_555 7_565 yes C19 C23 C22 11.473 7_565 1_555 7_565 yes C21 C23 C22 75.754 1_555 1_555 7_565 yes C21 C23 C22 98.787 5_655 1_555 7_565 yes C21 C23 C22 78.806 8_555 1_555 7_565 yes C22 C23 C22 13.662 3_665 1_555 7_565 yes C22 C23 C22 14.1 4_565 1_555 7_565 yes C11 C23 C23 134.278 9_666 1_555 5_655 yes C11 C23 C23 134.259 14_556 1_555 5_655 yes C19 C23 C23 82.202 4_565 1_555 5_655 yes C19 C23 C23 54.918 6_665 1_555 5_655 yes C19 C23 C23 85.384 7_565 1_555 5_655 yes C21 C23 C23 14.265 1_555 1_555 5_655 yes C21 C23 C23 137.936 5_655 1_555 5_655 yes C21 C23 C23 10.484 8_555 1_555 5_655 yes C22 C23 C23 62.255 3_665 1_555 5_655 yes C22 C23 C23 87.046 4_565 1_555 5_655 yes C22 C23 C23 75.917 7_565 1_555 5_655 yes C11 C23 C23 72.389 9_666 1_555 6_665 yes C11 C23 C23 72.415 14_556 1_555 6_665 yes C19 C23 C23 73.149 4_565 1_555 6_665 yes C19 C23 C23 95.033 6_665 1_555 6_665 yes C19 C23 C23 69.115 7_565 1_555 6_665 yes C21 C23 C23 121.998 1_555 1_555 6_665 yes C21 C23 C23 18.645 5_655 1_555 6_665 yes C21 C23 C23 127.084 8_555 1_555 6_665 yes C22 C23 C23 91.294 3_665 1_555 6_665 yes C22 C23 C23 66.464 4_565 1_555 6_665 yes C22 C23 C23 80.563 7_565 1_555 6_665 yes C23 C23 C23 135 5_655 1_555 6_665 yes C11 C23 C24 143.079 9_666 1_555 27_455 yes C11 C23 C24 143.07 14_556 1_555 27_455 yes C19 C23 C24 68.563 4_565 1_555 27_455 yes C19 C23 C24 42.256 6_665 1_555 27_455 yes C19 C23 C24 71.115 7_565 1_555 27_455 yes C21 C23 C24 12.317 1_555 1_555 27_455 yes C21 C23 C24 122.881 5_655 1_555 27_455 yes C21 C23 C24 15.959 8_555 1_555 27_455 yes C22 C23 C24 50.307 3_665 1_555 27_455 yes C22 C23 C24 72.285 4_565 1_555 27_455 yes C22 C23 C24 63.438 7_565 1_555 27_455 yes C23 C23 C24 18.697 5_655 1_555 27_455 yes C23 C23 C24 116.787 6_665 1_555 27_455 yes C11 C23 C24 143.021 9_666 1_555 30_545 yes C11 C23 C24 143.012 14_556 1_555 30_545 yes C19 C23 C24 68.351 4_565 1_555 30_545 yes C19 C23 C24 42.133 6_665 1_555 30_545 yes C19 C23 C24 70.872 7_565 1_555 30_545 yes C21 C23 C24 12.493 1_555 1_555 30_545 yes C21 C23 C24 122.308 5_655 1_555 30_545 yes C21 C23 C24 16.274 8_555 1_555 30_545 yes C22 C23 C24 50.198 3_665 1_555 30_545 yes C22 C23 C24 72.017 4_565 1_555 30_545 yes C22 C23 C24 63.283 7_565 1_555 30_545 yes C23 C23 C24 19.231 5_655 1_555 30_545 yes C23 C23 C24 116.219 6_665 1_555 30_545 yes C24 C23 C24 0.58 27_455 1_555 30_545 yes C11 C24 C11 0.025 18_644 1_555 23_554 yes C11 C24 C19 157.615 18_644 1_555 25_655 yes C11 C24 C19 157.611 23_554 1_555 25_655 yes C11 C24 C19 158.615 18_644 1_555 26_555 yes C11 C24 C19 158.64 23_554 1_555 26_555 yes C19 C24 C19 31.835 25_655 1_555 26_555 yes C11 C24 C19 157.588 18_644 1_555 28_645 yes C11 C24 C19 157.563 23_554 1_555 28_645 yes C19 C24 C19 28.647 25_655 1_555 28_645 yes C19 C24 C19 43.765 26_555 1_555 28_645 yes C11 C24 C19 159.697 18_644 1_555 29_555 yes C11 C24 C19 159.722 23_554 1_555 29_555 yes C19 C24 C19 32.837 25_655 1_555 29_555 yes C19 C24 C19 2.736 26_555 1_555 29_555 yes C19 C24 C19 42.702 28_645 1_555 29_555 yes C11 C24 C19 156.477 18_644 1_555 31_645 yes C11 C24 C19 156.452 23_554 1_555 31_645 yes C19 C24 C19 27.346 25_655 1_555 31_645 yes C19 C24 C19 44.702 26_555 1_555 31_645 yes C19 C24 C19 2.732 28_645 1_555 31_645 yes C19 C24 C19 43.803 29_555 1_555 31_645 yes C11 C24 C19 157.924 18_644 1_555 32_655 yes C11 C24 C19 157.926 23_554 1_555 32_655 yes C19 C24 C19 5.239 25_655 1_555 32_655 yes C19 C24 C19 27.792 26_555 1_555 32_655 yes C19 C24 C19 32.367 28_645 1_555 32_655 yes C19 C24 C19 29.094 29_555 1_555 32_655 yes C19 C24 C19 31.372 31_645 1_555 32_655 yes C11 C24 C21 108.272 18_644 1_555 28_645 yes C11 C24 C21 108.293 23_554 1_555 28_645 yes C19 C24 C21 87.8 25_655 1_555 28_645 yes C19 C24 C21 55.966 26_555 1_555 28_645 yes C19 C24 C21 90.377 28_645 1_555 28_645 yes C19 C24 C21 55.068 29_555 1_555 28_645 yes C19 C24 C21 92.588 31_645 1_555 28_645 yes C19 C24 C21 83.63 32_655 1_555 28_645 yes C11 C24 C21 107.09 18_644 1_555 29_555 yes C11 C24 C21 107.069 23_554 1_555 29_555 yes C19 C24 C21 82.417 25_655 1_555 29_555 yes C19 C24 C21 92.068 26_555 1_555 29_555 yes C19 C24 C21 54.405 28_645 1_555 29_555 yes C19 C24 C21 89.895 29_555 1_555 29_555 yes C19 C24 C21 55.247 31_645 1_555 29_555 yes C19 C24 C21 86.618 32_655 1_555 29_555 yes C21 C24 C21 105.524 28_645 1_555 29_555 yes C11 C24 C22 158.242 18_644 1_555 25_655 yes C11 C24 C22 158.251 23_554 1_555 25_655 yes C19 C24 C22 11.595 25_655 1_555 25_655 yes C19 C24 C22 22.336 26_555 1_555 25_655 yes C19 C24 C22 36.351 28_645 1_555 25_655 yes C19 C24 C22 23.979 29_555 1_555 25_655 yes C19 C24 C22 35.756 31_645 1_555 25_655 yes C19 C24 C22 6.441 32_655 1_555 25_655 yes C21 C24 C22 77.733 28_645 1_555 25_655 yes C21 C24 C22 90.727 29_555 1_555 25_655 yes C11 C24 C22 157.931 18_644 1_555 28_645 yes C11 C24 C22 157.908 23_554 1_555 28_645 yes C19 C24 C22 19.29 25_655 1_555 28_645 yes C19 C24 C22 41.613 26_555 1_555 28_645 yes C19 C24 C22 10.66 28_645 1_555 28_645 yes C19 C24 C22 41.269 29_555 1_555 28_645 yes C19 C24 C22 8.598 31_645 1_555 28_645 yes C19 C24 C22 23.757 32_655 1_555 28_645 yes C21 C24 C22 93.66 28_645 1_555 28_645 yes C21 C24 C22 63.135 29_555 1_555 28_645 yes C22 C24 C22 28.842 25_655 1_555 28_645 yes C11 C24 C22 159.843 18_644 1_555 29_555 yes C11 C24 C22 159.865 23_554 1_555 29_555 yes C19 C24 C22 24.197 25_655 1_555 29_555 yes C19 C24 C22 8.668 26_555 1_555 29_555 yes C19 C24 C22 41.186 28_645 1_555 29_555 yes C19 C24 C22 10.75 29_555 1_555 29_555 yes C19 C24 C22 41.566 31_645 1_555 29_555 yes C19 C24 C22 19.709 32_655 1_555 29_555 yes C21 C24 C22 63.946 28_645 1_555 29_555 yes C21 C24 C22 93.042 29_555 1_555 29_555 yes C22 C24 C22 13.867 25_655 1_555 29_555 yes C22 C24 C22 36.908 28_645 1_555 29_555 yes C11 C24 C22 157.3 18_644 1_555 32_655 yes C11 C24 C22 157.289 23_554 1_555 32_655 yes C19 C24 C22 6.201 25_655 1_555 32_655 yes C19 C24 C22 36.023 26_555 1_555 32_655 yes C19 C24 C22 23.714 28_645 1_555 32_655 yes C19 C24 C22 36.641 29_555 1_555 32_655 yes C19 C24 C22 22.082 31_645 1_555 32_655 yes C19 C24 C22 11.35 32_655 1_555 32_655 yes C21 C24 C22 91.66 28_645 1_555 32_655 yes C21 C24 C22 76.695 29_555 1_555 32_655 yes C22 C24 C22 17.495 25_655 1_555 32_655 yes C22 C24 C22 13.666 28_645 1_555 32_655 yes C22 C24 C22 29.069 29_555 1_555 32_655 yes C11 C24 C23 106.528 18_644 1_555 27_545 yes C11 C24 C23 106.551 23_554 1_555 27_545 yes C19 C24 C23 86.242 25_655 1_555 27_545 yes C19 C24 C23 55.009 26_555 1_555 27_545 yes C19 C24 C23 94.108 28_645 1_555 27_545 yes C19 C24 C23 54.73 29_555 1_555 27_545 yes C19 C24 C23 95.995 31_645 1_555 27_545 yes C19 C24 C23 81.55 32_655 1_555 27_545 yes C21 C24 C23 10.938 28_645 1_555 27_545 yes C21 C24 C23 115.956 29_555 1_555 27_545 yes C22 C24 C23 75.27 25_655 1_555 27_545 yes C22 C24 C23 95.473 28_645 1_555 27_545 yes C22 C24 C23 62.055 29_555 1_555 27_545 yes C22 C24 C23 90.949 32_655 1_555 27_545 yes C11 C24 C23 105.2 18_644 1_555 30_545 yes C11 C24 C23 105.177 23_554 1_555 30_545 yes C19 C24 C23 80.247 25_655 1_555 30_545 yes C19 C24 C23 95.383 26_555 1_555 30_545 yes C19 C24 C23 54.053 28_645 1_555 30_545 yes C19 C24 C23 93.541 29_555 1_555 30_545 yes C19 C24 C23 54.274 31_645 1_555 30_545 yes C19 C24 C23 84.958 32_655 1_555 30_545 yes C21 C24 C23 115.877 28_645 1_555 30_545 yes C21 C24 C23 10.843 29_555 1_555 30_545 yes C22 C24 C23 89.922 25_655 1_555 30_545 yes C22 C24 C23 61.224 28_645 1_555 30_545 yes C22 C24 C23 94.762 29_555 1_555 30_545 yes C22 C24 C23 74.178 32_655 1_555 30_545 yes C23 C24 C23 126.053 27_545 1_555 30_545 yes C11 C24 C24 122.309 18_644 1_555 2_645 yes C11 C24 C24 122.329 23_554 1_555 2_645 yes C19 C24 C24 74.634 25_655 1_555 2_645 yes C19 C24 C24 43.001 26_555 1_555 2_645 yes C19 C24 C24 76.427 28_645 1_555 2_645 yes C19 C24 C24 41.801 29_555 1_555 2_645 yes C19 C24 C24 78.587 31_645 1_555 2_645 yes C19 C24 C24 70.788 32_655 1_555 2_645 yes C21 C24 C24 14.089 28_645 1_555 2_645 yes C21 C24 C24 98.378 29_555 1_555 2_645 yes C22 C24 C24 65.216 25_655 1_555 2_645 yes C22 C24 C24 79.581 28_645 1_555 2_645 yes C22 C24 C24 51.35 29_555 1_555 2_645 yes C22 C24 C24 78.104 32_655 1_555 2_645 yes C23 C24 C24 19.506 27_545 1_555 2_645 yes C23 C24 C24 107.794 30_545 1_555 2_645 yes C11 C24 C24 120.394 18_644 1_555 4_665 yes C11 C24 C24 120.373 23_554 1_555 4_665 yes C19 C24 C24 70.097 25_655 1_555 4_665 yes C19 C24 C24 78.919 26_555 1_555 4_665 yes C19 C24 C24 41.661 28_645 1_555 4_665 yes C19 C24 C24 76.812 29_555 1_555 4_665 yes C19 C24 C24 42.755 31_645 1_555 4_665 yes C19 C24 C24 74.023 32_655 1_555 4_665 yes C21 C24 C24 99.377 28_645 1_555 4_665 yes C21 C24 C24 13.305 29_555 1_555 4_665 yes C22 C24 C24 77.798 25_655 1_555 4_665 yes C22 C24 C24 50.971 28_645 1_555 4_665 yes C22 C24 C24 79.737 29_555 1_555 4_665 yes C22 C24 C24 64.634 32_655 1_555 4_665 yes C23 C24 C24 108.884 27_545 1_555 4_665 yes C23 C24 C24 18.422 30_545 1_555 4_665 yes C24 C24 C24 90 2_645 1_555 4_665 yes C11 C24 C24 121.806 18_644 1_555 5_755 yes C11 C24 C24 121.827 23_554 1_555 5_755 yes C19 C24 C24 74.93 25_655 1_555 5_755 yes C19 C24 C24 43.242 26_555 1_555 5_755 yes C19 C24 C24 77.07 28_645 1_555 5_755 yes C19 C24 C24 42.093 29_555 1_555 5_755 yes C19 C24 C24 79.214 31_645 1_555 5_755 yes C19 C24 C24 71.034 32_655 1_555 5_755 yes C21 C24 C24 13.544 28_645 1_555 5_755 yes C21 C24 C24 99.199 29_555 1_555 5_755 yes C22 C24 C24 65.413 25_655 1_555 5_755 yes C22 C24 C24 80.117 28_645 1_555 5_755 yes C22 C24 C24 51.546 29_555 1_555 5_755 yes C22 C24 C24 78.47 32_655 1_555 5_755 yes C23 C24 C24 18.697 27_545 1_555 5_755 yes C23 C24 C24 108.627 30_545 1_555 5_755 yes C24 C24 C24 0.835 2_645 1_555 5_755 yes C24 C24 C24 90.835 4_665 1_555 5_755 yes C11 C24 C24 120.909 18_644 1_555 7_555 yes C11 C24 C24 120.888 23_554 1_555 7_555 yes C19 C24 C24 69.863 25_655 1_555 7_555 yes C19 C24 C24 78.297 26_555 1_555 7_555 yes C19 C24 C24 41.372 28_645 1_555 7_555 yes C19 C24 C24 76.173 29_555 1_555 7_555 yes C19 C24 C24 42.517 31_645 1_555 7_555 yes C19 C24 C24 73.739 32_655 1_555 7_555 yes C21 C24 C24 98.556 28_645 1_555 7_555 yes C21 C24 C24 13.849 29_555 1_555 7_555 yes C22 C24 C24 77.441 25_655 1_555 7_555 yes C22 C24 C24 50.781 28_645 1_555 7_555 yes C22 C24 C24 79.207 29_555 1_555 7_555 yes C22 C24 C24 64.447 32_655 1_555 7_555 yes C23 C24 C24 108.052 27_545 1_555 7_555 yes C23 C24 C24 19.231 30_545 1_555 7_555 yes C24 C24 C24 89.165 2_645 1_555 7_555 yes C24 C24 C24 0.835 4_665 1_555 7_555 yes C24 C24 C24 90 5_755 1_555 7_555 yes O1 Ti25 O1 88.915 1_555 1_555 11_556 yes O1 Ti25 C6 36.093 1_555 1_555 24_454 yes O1 Ti25 C6 110.904 11_556 1_555 24_454 yes O1 Ti25 C6 110.904 1_555 1_555 30_456 yes O1 Ti25 C6 36.093 11_556 1_555 30_456 yes C6 Ti25 C6 112.527 24_454 1_555 30_456 yes O1 Ti25 O26 86.271 1_555 1_555 1_555 yes O1 Ti25 O26 86.271 11_556 1_555 1_555 yes C6 Ti25 O26 61.083 24_454 1_555 1_555 yes C6 Ti25 O26 61.083 30_456 1_555 1_555 yes Ti25 O26 C31 133.17 1_555 1_555 1_555 yes C27 C27 N28 124.584 5_655 1_555 1_555 yes C27 C27 C32 119.484 5_655 1_555 1_555 yes N28 C27 C32 115.932 1_555 1_555 1_555 yes O26 C31 O26 111.353 1_555 1_555 7_555 yes O26 C31 C32 124.324 1_555 1_555 1_555 yes O26 C31 C32 124.324 7_555 1_555 1_555 yes C27 C32 C27 121.033 1_555 1_555 7_555 yes C27 C32 C31 119.484 1_555 1_555 1_555 yes C27 C32 C31 119.484 7_555 1_555 1_555 yes O1 C33 O1 130.016 1_555 1_555 8_555 yes O1 C33 C9 105.585 1_555 1_555 18_544 yes O1 C33 C9 123.619 8_555 1_555 18_544 yes O1 C33 C9 123.619 1_555 1_555 23_454 yes O1 C33 C9 105.585 8_555 1_555 23_454 yes C9 C33 C9 18.091 18_544 1_555 23_454 yes C2 C34 C2 113.317 1_555 1_555 8_555 yes C2 C34 C8 97.243 1_555 1_555 11_566 yes C2 C34 C8 85.784 8_555 1_555 11_566 yes C2 C34 C8 85.784 1_555 1_555 14_656 yes C2 C34 C8 97.243 8_555 1_555 14_656 yes C8 C34 C8 13.722 11_566 1_555 14_656 yes C2 C34 C9 138.64 1_555 1_555 18_544 yes C2 C34 C9 105.881 8_555 1_555 18_544 yes C8 C34 C9 98.279 11_566 1_555 18_544 yes C8 C34 C9 102.251 14_656 1_555 18_544 yes C2 C34 C9 105.881 1_555 1_555 23_454 yes C2 C34 C9 138.64 8_555 1_555 23_454 yes C8 C34 C9 102.251 11_566 1_555 23_454 yes C8 C34 C9 98.279 14_656 1_555 23_454 yes C9 C34 C9 33.172 18_544 1_555 23_454 yes C2 C34 C17 92.257 1_555 1_555 26_455 yes C2 C34 C17 21.316 8_555 1_555 26_455 yes C8 C34 C17 91.61 11_566 1_555 26_455 yes C8 C34 C17 99.61 14_656 1_555 26_455 yes C9 C34 C17 125.244 18_544 1_555 26_455 yes C9 C34 C17 155.344 23_454 1_555 26_455 yes C2 C34 C17 21.316 1_555 1_555 31_545 yes C2 C34 C17 92.257 8_555 1_555 31_545 yes C8 C34 C17 99.61 11_566 1_555 31_545 yes C8 C34 C17 91.61 14_656 1_555 31_545 yes C9 C34 C17 155.344 18_544 1_555 31_545 yes C9 C34 C17 125.244 23_454 1_555 31_545 yes C17 C34 C17 71.061 26_455 1_555 31_545 yes loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_1 _geom_bond_site_symmetry_2 _geom_bond_publ_flag O1 C5 1.61058 1_555 3_665 yes O1 C6 1.13002 1_555 24_454 yes O1 C9 1.85613 1_555 18_544 yes O1 Ti25 1.91174 1_555 1_555 yes O1 C33 1.20175 1_555 1_555 yes C2 C2 1.43062 1_555 32_555 yes C2 N3 1.38835 1_555 1_555 yes C2 C9 1.68862 1_555 23_454 yes C2 C12 1.19223 1_555 10_566 yes C2 C13 1.72027 1_555 15_656 yes C2 C13 1.69553 1_555 18_544 yes C2 C17 1.54295 1_555 2_655 yes C2 C17 1.74323 1_555 26_455 yes C2 C17 0.61534 1_555 31_545 yes C2 C34 1.40931 1_555 1_555 yes N3 C2 1.38835 1_555 1_555 yes N3 C12 1.70271 1_555 10_566 yes N3 C18 1.25734 1_555 30_445 yes C4 C4 1.72018 1_555 11_557 yes C4 C4 1.72801 1_555 16_667 yes C5 O1 1.61058 1_555 3_665 yes C5 C6 1.66361 1_555 22_654 yes C5 C14 0.64762 1_555 23_675 yes C5 C16 1.56442 1_555 10_576 yes C6 O1 1.13002 1_555 24_455 yes C6 C5 1.66361 1_555 22_565 yes C6 C14 1.80076 1_555 4_356 yes C6 C20 1.43163 1_555 19_565 yes C6 Ti25 1.63772 1_555 24_455 yes C6 O26 1.85016 1_555 24_455 yes C7 C7 1.32739 1_555 5_655 yes C7 C10 0.72642 1_555 1_555 yes C7 C10 1.87137 1_555 5_655 yes C7 C20 0.68458 1_555 17_445 yes C7 C20 1.67211 1_555 21_645 yes C7 O29 1.64367 1_555 20_555 yes C8 C9 1.76327 1_555 28_536 yes C8 C9 1.80044 1_555 29_446 yes C8 C13 1.76254 1_555 28_536 yes C8 C13 1.62787 1_555 29_446 yes C8 C17 1.86375 1_555 20_445 yes C8 C34 1.56313 1_555 11_546 yes C9 O1 1.85613 1_555 20_555 yes C9 C2 1.68862 1_555 23_555 yes C9 C8 1.76327 1_555 26_656 yes C9 C8 1.80044 1_555 29_546 yes C9 C12 1.77648 1_555 30_546 yes C9 C17 1.42404 1_555 9_666 yes C9 C17 1.5584 1_555 14_556 yes C9 C33 1.12808 1_555 20_555 yes C9 C34 0.62133 1_555 20_555 yes C10 C7 0.72642 1_555 1_555 yes C10 C7 1.87137 1_555 5_655 yes C10 C15 1.89751 1_555 6_665 yes C10 C20 0.71184 1_555 17_445 yes C11 C21 1.16406 1_555 10_566 yes C11 C21 1.164 1_555 13_566 yes C11 C23 1.37926 1_555 9_666 yes C11 C23 1.37905 1_555 14_556 yes C11 C24 1.50766 1_555 20_565 yes C11 C24 1.50767 1_555 23_455 yes C12 C2 1.19223 1_555 12_656 yes C12 N3 1.70271 1_555 12_656 yes C12 C9 1.77648 1_555 30_546 yes C12 C13 1.271 1_555 6_665 yes C12 C15 0.88284 1_555 31_646 yes C12 C17 1.32599 1_555 22_655 yes C12 C34 1.74039 1_555 12_656 yes C13 C2 1.72027 1_555 15_656 yes C13 C2 1.69553 1_555 20_555 yes C13 C8 1.76254 1_555 26_656 yes C13 C8 1.62787 1_555 29_546 yes C13 C12 1.271 1_555 6_665 yes C13 C13 1.2226 1_555 6_665 yes C13 C15 1.37395 1_555 28_646 yes C13 C17 1.64434 1_555 14_556 yes C13 C17 1.56721 1_555 17_545 yes C14 C5 0.64762 1_555 23_374 yes C14 C6 1.80076 1_555 2_574 yes C14 C16 1.33199 1_555 30_355 yes C14 O26 1.82795 1_555 21_464 yes C15 C10 1.89751 1_555 6_665 yes C15 C12 0.88284 1_555 31_656 yes C15 C13 1.37395 1_555 26_566 yes C16 C5 1.56442 1_555 12_756 yes C16 C14 1.33199 1_555 30_465 yes C16 N28 1.86699 1_555 4_665 yes C17 C2 1.54295 1_555 4_565 yes C17 C2 1.74323 1_555 28_555 yes C17 C2 0.61534 1_555 31_555 yes C17 C8 1.86375 1_555 18_454 yes C17 C9 1.42404 1_555 9_666 yes C17 C9 1.5584 1_555 14_556 yes C17 C12 1.32599 1_555 22_564 yes C17 C13 1.64434 1_555 14_556 yes C17 C13 1.56721 1_555 17_454 yes C17 C17 1.12974 1_555 6_665 yes C17 C17 1.80216 1_555 25_565 yes C17 C17 1.40409 1_555 30_455 yes C17 C34 0.97201 1_555 28_555 yes C18 N3 1.25734 1_555 30_555 yes C18 C18 1.32588 1_555 32_665 yes C19 C19 0.78385 1_555 2_655 yes C19 C19 1.10853 1_555 3_665 yes C19 C19 0.78385 1_555 4_565 yes C19 C19 0.84869 1_555 5_655 yes C19 C19 1.10438 1_555 6_665 yes C19 C19 0.71314 1_555 7_565 yes C19 C21 1.82111 1_555 2_655 yes C19 C21 1.39557 1_555 3_665 yes C19 C21 1.81695 1_555 4_565 yes C19 C21 1.75125 1_555 5_655 yes C19 C21 1.40331 1_555 6_665 yes C19 C21 1.88437 1_555 7_565 yes C19 C22 0.90209 1_555 2_655 yes C19 C22 1.02243 1_555 3_665 yes C19 C22 0.56119 1_555 4_565 yes C19 C22 0.63367 1_555 5_655 yes C19 C22 1.03978 1_555 6_665 yes C19 C22 0.85275 1_555 7_565 yes C19 C23 1.81565 1_555 1_555 yes C19 C23 1.27306 1_555 2_655 yes C19 C23 1.61215 1_555 3_665 yes C19 C23 1.5413 1_555 6_665 yes C19 C23 1.30408 1_555 7_565 yes C19 C23 1.87617 1_555 8_555 yes C19 C24 1.04916 1_555 25_655 yes C19 C24 1.52192 1_555 26_565 yes C19 C24 1.81872 1_555 27_455 yes C19 C24 1.44645 1_555 28_545 yes C19 C24 1.5113 1_555 29_455 yes C19 C24 1.81949 1_555 30_545 yes C19 C24 1.45755 1_555 31_655 yes C19 C24 1.04782 1_555 32_565 yes C20 C6 1.43163 1_555 19_564 yes C20 C7 0.68458 1_555 17_554 yes C20 C7 1.67211 1_555 21_654 yes C20 C10 0.71184 1_555 17_554 yes C20 C20 1.75328 1_555 5_755 yes C20 O29 1.79066 1_555 4_665 yes C21 C11 1.16406 1_555 12_656 yes C21 C11 1.164 1_555 13_566 yes C21 C19 1.81695 1_555 2_655 yes C21 C19 1.39557 1_555 3_665 yes C21 C19 1.82111 1_555 4_565 yes C21 C19 1.75125 1_555 5_655 yes C21 C19 1.40331 1_555 6_665 yes C21 C19 1.88437 1_555 7_565 yes C21 C21 1.73662 1_555 2_655 yes C21 C21 1.73662 1_555 4_565 yes C21 C21 1.88903 1_555 5_655 yes C21 C21 1.56948 1_555 7_565 yes C21 C22 1.74082 1_555 2_655 yes C21 C22 1.58946 1_555 3_665 yes C21 C22 1.5627 1_555 6_665 yes C21 C22 1.7985 1_555 7_565 yes C21 C23 1.5207 1_555 1_555 yes C21 C23 0.5593 1_555 5_655 yes C21 C23 1.33634 1_555 8_555 yes C21 C24 1.52425 1_555 26_565 yes C21 C24 1.68725 1_555 28_545 yes C21 C24 1.54747 1_555 29_455 yes C21 C24 1.66597 1_555 31_655 yes C22 C19 0.56119 1_555 2_655 yes C22 C19 1.02243 1_555 3_665 yes C22 C19 0.90209 1_555 4_565 yes C22 C19 0.63367 1_555 5_655 yes C22 C19 1.03978 1_555 6_665 yes C22 C19 0.85275 1_555 7_565 yes C22 C21 1.58946 1_555 3_665 yes C22 C21 1.74082 1_555 4_565 yes C22 C21 1.5627 1_555 6_665 yes C22 C21 1.7985 1_555 7_565 yes C22 C22 0.69123 1_555 2_655 yes C22 C22 0.97755 1_555 3_665 yes C22 C22 0.69123 1_555 4_565 yes C22 C22 0.90347 1_555 6_665 yes C22 C22 0.9028 1_555 7_565 yes C22 C23 1.51155 1_555 2_655 yes C22 C23 1.5396 1_555 3_665 yes C22 C23 1.80013 1_555 6_665 yes C22 C23 1.40481 1_555 7_565 yes C22 C23 1.76743 1_555 8_555 yes C22 C24 1.22495 1_555 25_655 yes C22 C24 1.43163 1_555 26_565 yes C22 C24 1.82186 1_555 27_455 yes C22 C24 1.66437 1_555 28_545 yes C22 C24 1.4224 1_555 29_455 yes C22 C24 1.81887 1_555 30_545 yes C22 C24 1.67227 1_555 31_655 yes C22 C24 1.22939 1_555 32_565 yes C23 C11 1.37926 1_555 9_666 yes C23 C11 1.37905 1_555 14_556 yes C23 C19 1.81565 1_555 1_555 yes C23 C19 1.61215 1_555 3_665 yes C23 C19 1.27306 1_555 4_565 yes C23 C19 1.5413 1_555 6_665 yes C23 C19 1.30408 1_555 7_565 yes C23 C19 1.87617 1_555 8_555 yes C23 C21 1.5207 1_555 1_555 yes C23 C21 0.5593 1_555 5_655 yes C23 C21 1.33634 1_555 8_555 yes C23 C22 1.5396 1_555 3_665 yes C23 C22 1.51155 1_555 4_565 yes C23 C22 1.80013 1_555 6_665 yes C23 C22 1.40481 1_555 7_565 yes C23 C22 1.76743 1_555 8_555 yes C23 C23 1.75057 1_555 2_655 yes C23 C23 1.75057 1_555 4_565 yes C23 C23 1.05859 1_555 5_655 yes C23 C23 0.83393 1_555 6_665 yes C23 C24 1.84743 1_555 25_655 yes C23 C24 1.29475 1_555 27_455 yes C23 C24 1.32075 1_555 30_545 yes C23 C24 1.82894 1_555 32_565 yes C24 C11 1.50766 1_555 18_644 yes C24 C11 1.50767 1_555 23_554 yes C24 C19 1.04916 1_555 25_655 yes C24 C19 1.44645 1_555 26_555 yes C24 C19 1.81872 1_555 27_545 yes C24 C19 1.52192 1_555 28_645 yes C24 C19 1.5113 1_555 29_555 yes C24 C19 1.81949 1_555 30_545 yes C24 C19 1.45755 1_555 31_645 yes C24 C19 1.04782 1_555 32_655 yes C24 C21 1.68725 1_555 26_555 yes C24 C21 1.52425 1_555 28_645 yes C24 C21 1.54747 1_555 29_555 yes C24 C21 1.66597 1_555 31_645 yes C24 C22 1.22495 1_555 25_655 yes C24 C22 1.66437 1_555 26_555 yes C24 C22 1.82186 1_555 27_545 yes C24 C22 1.43163 1_555 28_645 yes C24 C22 1.4224 1_555 29_555 yes C24 C22 1.81887 1_555 30_545 yes C24 C22 1.67227 1_555 31_645 yes C24 C22 1.22939 1_555 32_655 yes C24 C23 1.84743 1_555 25_655 yes C24 C23 1.29475 1_555 27_545 yes C24 C23 1.32075 1_555 30_545 yes C24 C23 1.82894 1_555 32_655 yes C24 C24 1.41503 1_555 2_645 yes C24 C24 1.41503 1_555 4_665 yes C24 C24 1.39425 1_555 5_755 yes C24 C24 1.4355 1_555 7_555 yes Ti25 O1 1.91174 1_555 1_555 yes Ti25 O1 1.91174 1_555 11_556 yes Ti25 C6 1.63772 1_555 24_454 yes Ti25 C6 1.63772 1_555 30_456 yes Ti25 Ti25 2.79044 1_555 7_555 yes Ti25 O26 1.96156 1_555 1_555 yes Ti25 O29 2.00047 1_555 1_555 yes Ti25 O29 2.00047 1_555 11_556 yes Ti25 O30 2.00392 1_555 1_555 yes O26 C6 1.85016 1_555 24_454 yes O26 C6 1.85016 1_555 30_456 yes O26 C14 1.82795 1_555 21_435 yes O26 C14 1.82795 1_555 31_435 yes O26 Ti25 1.96156 1_555 1_555 yes O26 C31 1.32413 1_555 1_555 yes C27 C27 1.38278 1_555 5_655 yes C27 N28 1.32368 1_555 1_555 yes C27 C32 1.41089 1_555 1_555 yes N28 C16 1.86699 1_555 2_645 yes N28 C16 1.86699 1_555 12_646 yes N28 C27 1.32368 1_555 1_555 yes O29 C7 1.64367 1_555 18_544 yes O29 C7 1.64367 1_555 22_554 yes O29 C20 1.79066 1_555 2_645 yes O29 C20 1.79066 1_555 6_665 yes O29 Ti25 2.00047 1_555 1_555 yes O29 Ti25 2.00047 1_555 7_555 yes O30 Ti25 2.00392 1_555 1_555 yes O30 Ti25 2.00392 1_555 8_555 yes C31 O26 1.32413 1_555 1_555 yes C31 O26 1.32413 1_555 7_555 yes C31 C32 1.42916 1_555 1_555 yes C32 C27 1.41089 1_555 1_555 yes C32 C27 1.41089 1_555 7_555 yes C32 C31 1.42916 1_555 1_555 yes C33 O1 1.20175 1_555 1_555 yes C33 O1 1.20175 1_555 8_555 yes C33 C9 1.12808 1_555 18_544 yes C33 C9 1.12808 1_555 23_454 yes C33 C34 1.67165 1_555 1_555 yes C34 C2 1.40931 1_555 1_555 yes C34 C2 1.40931 1_555 8_555 yes C34 C8 1.56313 1_555 11_566 yes C34 C8 1.56313 1_555 14_656 yes C34 C9 0.62133 1_555 18_544 yes C34 C9 0.62133 1_555 23_454 yes C34 C12 1.74039 1_555 10_566 yes C34 C12 1.74039 1_555 15_656 yes C34 C17 0.97201 1_555 26_455 yes C34 C17 0.97201 1_555 31_545 yes C34 C33 1.67165 1_555 1_555 yes Ow18 Ow18 1.56(21) 1_555 9_556 yes loop_ _pd_meas_intensity_total _pd_calc_intensity_total _pd_proc_intensity_bkg_calc _pd_proc_ls_weight 11400 0 0 0 11245 0 0 0 10913 0 0 0 10488 0 0 0 10523 0 0 0 10792 0 0 0 10914 0 0 0 10934 0 0 0 10764 0 0 0 10333 0 0 0 10431 0 0 0 10413 0 0 0 10032 0 0 0 9936 0 0 0 10188 0 0 0 10115 0 0 0 9880 0 0 0 9871 0 0 0 9624 0 0 0 9528 0 0 0 9856 0 0 0 9668 0 0 0 9677 0 0 0 9659 0 0 0 9603 0 0 0 9554 0 0 0 9446 0 0 0 9287 0 0 0 9256 0 0 0 9215 0 0 0 9226 0 0 0 9221 0 0 0 9058 0 0 0 8952 0 0 0 8716 0 0 0 8735 0 0 0 8708 0 0 0 8936 0 0 0 8878 0 0 0 8881 0 0 0 8952 0 0 0 8793 0 0 0 8552 0 0 0 8324 0 0 0 8397 0 0 0 8478 0 0 0 8659 0 0 0 8662 0 0 0 8331 0 0 0 8163 0 0 0 8294 8477.17563 8415.29559 0.0001205691 8374 8446.43509 8383.56392 0.0001194172 8457 8415.8368 8351.95003 0.0001182452 8291 8385.38127 8320.45361 0.0001206127 8310 8355.06906 8289.07438 0.0001203369 8452 8324.90079 8257.81202 0.0001183152 8393 8294.87709 8226.66625 0.0001191469 8077 8264.99867 8195.63676 0.0001238083 8115 8235.26626 8164.72326 0.0001232286 8121 8205.68064 8133.92545 0.0001231375 7931 8176.24265 8103.24303 0.0001260875 8075 8146.95315 8072.67572 0.000123839 8045 8117.81311 8042.2232 0.0001243008 7723 8088.82353 8011.88519 0.0001294834 7852 8059.98549 7981.66139 0.0001273561 7855 8031.30011 7951.55151 0.0001273074 7793 8002.76862 7921.55526 0.0001283203 7666 7974.39229 7891.67234 0.0001304461 7486 7946.17249 7861.90245 0.0001335827 7767 7918.1107 7832.24531 0.0001287498 7838 7890.20843 7802.70063 0.0001275836 7752 7862.46735 7773.2681 0.000128999 7485 7834.88921 7743.94745 0.0001336005 7737 7807.47587 7714.73838 0.0001292491 7585 7780.22932 7685.6406 0.0001318392 7477 7753.15168 7656.65382 0.0001337435 7593 7726.2452 7627.77775 0.0001317003 7617 7699.51227 7599.0121 0.0001312853 7551 7672.95548 7570.35659 0.0001324328 7265 7646.57754 7541.81092 0.0001376462 7485 7620.38136 7513.37482 0.0001336005 7453 7594.3701 7485.04798 0.0001341742 7642 7568.54706 7456.83013 0.0001308558 7465 7542.9158 7428.72097 0.0001339585 7285 7517.48016 7400.72023 0.0001372684 7524 7492.24421 7372.82762 0.000132908 7465 7467.21238 7345.04285 0.0001339585 7571 7442.38934 7317.36563 0.0001320829 7606 7417.78018 7289.79569 0.0001314752 7438 7393.39034 7262.33274 0.0001344447 7438 7369.22568 7234.9765 0.0001344447 7353 7345.29259 7207.72669 0.0001359989 7075 7321.59786 7180.58301 0.0001413428 7365 7298.14891 7153.54519 0.0001357773 7331 7274.95378 7126.61296 0.000136407 7366 7252.02117 7099.78602 0.0001357589 7241 7229.36052 7073.0641 0.0001381025 7167 7206.9822 7046.44692 0.0001395284 7123 7184.89743 7019.93419 0.0001403903 7147 7163.11856 6993.52565 0.0001399188 7219 7141.6591 6967.221 0.0001385233 6930 7120.53394 6941.01997 0.0001443001 7180 7099.75948 6914.92229 0.0001392758 7222 7079.35392 6888.92768 0.0001384658 7127 7059.33758 6863.03585 0.0001403115 7034 7039.73317 6837.24654 0.0001421666 7360 7020.56646 6811.55946 0.0001358696 7193 7001.86704 6785.97434 0.0001390241 7267 6983.66933 6760.49091 0.0001376084 7163 6966.01414 6735.10889 0.0001396063 7103 6948.95085 6709.828 0.0001407856 7130 6932.54043 6684.64798 0.0001402525 7102 6916.85922 6659.56855 0.0001408054 6940 6902.00423 6634.58943 0.0001440922 7056 6888.0993 6609.71035 0.0001417234 7195 6875.3032 6584.93105 0.0001389854 7273 6863.81894 6560.25124 0.0001374948 7109 6853.90477 6535.67066 0.0001406668 7079 6845.88597 6511.18904 0.0001412629 7549 6840.16761 6486.8061 0.0001324679 7065 6837.24434 6462.52158 0.0001415428 7263 6837.70528 6438.3352 0.0001376842 7147 6842.22986 6414.2467 0.0001399188 7463 6851.57344 6390.25581 0.0001339944 7463 6866.55044 6366.36226 0.0001339944 7296 6888.03201 6342.56578 0.0001370614 7419 6916.95334 6318.86611 0.0001347891 7385 6954.27864 6295.26297 0.0001354096 7406 7000.86447 6271.7561 0.0001350257 7486 7057.25885 6248.34523 0.0001335827 7570 7123.60414 6225.03011 0.0001321004 7749 7199.79105 6201.81045 0.0001290489 7447 7285.78953 6178.68601 0.0001342823 7813 7381.78647 6155.65651 0.0001279918 7871 7487.83449 6132.72168 0.0001270487 8033 7603.31565 6109.88128 0.0001244865 8015 7726.98678 6087.13502 0.0001247661 8117 7857.85821 6064.48266 0.0001231982 8060 7995.97951 6041.92392 0.0001240695 8287 8141.99065 6019.45855 0.0001206709 8188 8295.82718 5997.08628 0.0001221299 8593 8456.36558 5974.80685 0.0001163738 8599 8622.75596 5952.62001 0.0001162926 8659 8795.73145 5930.52548 0.0001154868 8861 8976.84956 5908.52302 0.0001128541 9107 9166.48023 5886.61236 0.0001098056 9161 9363.45462 5864.79324 0.0001091584 9353 9567.12887 5843.06541 0.0001069176 9667 9778.9592 5821.42861 0.0001034447 9956 10001.03444 5799.88257 0.0001004419 9904 10233.56205 5778.42704 0.0001009693 10244 10475.17685 5757.06177 0.0000976181 10401 10726.44597 5735.7865 0.0000961446 10654 10988.50995 5714.60097 0.0000938615 10788 11264.40804 5693.50492 0.0000926956 11307 11553.16206 5672.49811 0.0000884408 11547 11854.01384 5651.58027 0.0000866026 11683 12168.33735 5630.75116 0.0000855945 11821 12499.27809 5610.01051 0.0000845952 12475 12848.30874 5589.35807 0.0000801603 12712 13214.76028 5568.7936 0.0000786658 13088 13599.21776 5548.31684 0.0000764059 13588 14005.01208 5527.92753 0.0000735943 14255 14435.26053 5507.62543 0.0000701508 14578 14890.73707 5487.41028 0.0000685965 15063 15372.41673 5467.28183 0.0000663878 15514 15892.94391 5447.23983 0.0000644579 16178 16439.51842 5427.28404 0.0000618123 16853 17028.28966 5407.41419 0.0000593366 17479 17653.5664 5387.63005 0.0000572115 18341 18325.90263 5367.93136 0.0000545227 19369 19053.01272 5348.31787 0.0000516289 20313 19841.96615 5328.78935 0.0000492296 21001 20701.16341 5309.34553 0.0000476168 21767 21642.40627 5289.98617 0.0000459411 23372 22678.91316 5270.71102 0.0000427862 24733 23823.84372 5251.51985 0.0000404318 26228 25091.67968 5232.41239 0.0000381272 27777 26497.08619 5213.38841 0.000036001 29174 28051.10461 5194.44767 0.0000342771 31248 29758.89583 5175.58991 0.000032002 33272 31616.47949 5156.81489 0.0000300553 35645 33604.70497 5138.12237 0.0000280544 37389 35683.84142 5119.5121 0.0000267458 39673 37788.82405 5100.98384 0.0000252061 42270 39825.90666 5082.53736 0.0000236574 43323 41674.37245 5064.1724 0.0000230824 45212 43194.19633 5045.88872 0.000022118 46529 44236.62769 5027.68609 0.000021492 47158 44652.91073 5009.56425 0.0000212053 46190 44302.10079 4991.52298 0.0000216497 45038 43071.22233 4973.56203 0.0000222035 42023 40918.80689 4955.68116 0.0000237965 39347 37925.95257 4937.88013 0.0000254149 34574 34310.52918 4920.1587 0.0000289235 30762 30376.49054 4902.51664 0.0000325076 26838 26428.64997 4884.9537 0.0000372606 22420 22708.50289 4867.46965 0.000044603 18990 19373.18421 4850.06425 0.0000526593 16008 16503.12184 4832.73726 0.0000624688 13686 14118.96622 4815.48845 0.0000730674 11745 12198.62952 4798.31758 0.0000851426 10687 10692.39147 4781.22441 0.0000935716 9535 9535.96655 4764.20871 0.0001048768 8894 8661.17654 4747.27025 0.0001124353 8206 8003.77165 4730.40879 0.0001218621 7626 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3006.58092 1934.25664 0.0003759398 2755 3064.59892 1933.20919 0.0003629764 2885 3119.2831 1932.15591 0.0003466205 3008 3168.7535 1931.0968 0.0003324468 3042 3210.97669 1930.03187 0.0003287311 3098 3243.83693 1928.96113 0.0003227889 3135 3265.30155 1927.88458 0.0003189793 3102 3273.67326 1926.80222 0.0003223727 3140 3267.87319 1925.71407 0.0003184713 3171 3247.66226 1924.62012 0.0003153579 3190 3213.73463 1923.52039 0.0003134796 3079 3167.65309 1922.41488 0.0003247808 2968 3111.65541 1921.30359 0.0003369272 2938 3048.38534 1920.18653 0.0003403676 2918 2980.61492 1919.06372 0.0003427005 2805 2911.15586 1917.93515 0.0003565062 2625 2842.10931 1916.80083 0.0003809524 2557 2775.65992 1915.66077 0.0003910833 2619 2713.46604 1914.51498 0.0003818251 2539 2656.89727 1913.36347 0.0003938558 2465 2606.77829 1912.20624 0.0004056795 2425 2563.87333 1911.04329 0.0004123711 2426 2528.63589 1909.87465 0.0004122012 2424 2501.31913 1908.70031 0.0004125413 2438 2482.0062 1907.52028 0.0004101723 2479 2470.63218 1906.33458 0.0004033885 2455 2467.00266 1905.1432 0.000407332 2491 2470.80296 1903.94617 0.0004014452 2453 2481.6056 1902.74348 0.0004076641 2445 2498.87342 1901.53515 0.000408998 2442 2521.96383 1900.32119 0.0004095004 2473 2550.13006 1899.1016 0.0004043672 2506 2582.52438 1897.87639 0.0003990423 2443 2618.20387 1896.64558 0.0004093328 2408 2656.14119 1895.40917 0.0004152824 2464 2695.24122 1894.16718 0.0004058442 2490 2734.35711 1892.9196 0.0004016064 2517 2772.29804 1891.66646 0.0003972984 2550 2807.82202 1890.40776 0.0003921569 2486 2839.38302 1889.14352 0.0004022526 2531 2866.07373 1887.87374 0.0003951008 2536 2886.11052 1886.59843 0.0003943218 2532 2898.35108 1885.31761 0.0003949447 2458 2901.4889 1884.03129 0.0004068348 2454 2894.70683 1882.73947 0.000407498 2466 2877.71133 1881.44217 0.000405515 2366 2850.81062 1880.1394 0.0004226543 2441 2814.89581 1878.83117 0.0004096682 2498 2771.33168 1877.51749 0.0004003203 2418 2721.79118 1876.19838 0.0004135649 2398 2668.13079 1874.87384 0.0004170142 2342 2611.99679 1873.54389 0.0004269855 2354 2555.1744 1872.20855 0.0004248088 2215 2498.78228 1870.86781 0.0004514673 2173 2444.087 1869.5217 0.0004601933 2101 2391.88951 1868.17023 0.0004759638 2069 2342.84508 1866.8134 0.0004833253 2033 2297.45127 1865.45125 0.0004918839 2045 2255.81673 1864.08376 0.0004889976 2073 2218.12449 1862.71097 0.0004823927 1973 2184.36894 1861.33288 0.0005068424 1946 2154.45677 1859.9495 0.0005138746 1985 2128.21043 1858.56086 0.0005037783 1968 2105.41614 1857.16696 0.0005081301 1938 2085.82412 1855.76781 0.0005159959 1956 2069.16995 1854.36344 0.0005112474 1993 2055.1892 1852.95385 0.0005017561 1905 2043.63003 1851.53906 0.0005249344 1925 2034.2634 1850.11909 0.0005194805 1939 2026.89097 1848.69394 0.0005157298 1930 2021.35109 1847.26363 0.0005181347 1979 2017.52274 1845.82819 0.0005053057 1949 2015.32796 1844.38761 0.0005130836 1912 2014.73273 1842.94193 0.0005230126 1935 2015.74687 1841.49114 0.0005167959 1864 2018.42278 1840.03528 0.0005364807 1882 2022.20135 1838.57434 0.0005313496 1878 2028.52115 1837.10836 0.0005324814 1874 2036.88982 1835.63734 0.0005336179 1899 2047.17502 1834.1613 0.0005265929 1889 2060.24708 1832.68026 0.0005293806 1936 2076.00121 1831.19423 0.0005165289 1980 2094.67629 1829.70323 0.0005050505 1978 2116.50218 1828.20727 0.0005055612 1911 2141.69229 1826.70638 0.0005232862 1959 2170.42129 1825.20057 0.0005104645 1957 2202.81934 1823.68985 0.0005109862 1995 2238.94628 1822.17424 0.0005012531 1950 2278.77375 1820.65376 0.0005128205 2043 2322.16555 1819.12842 0.0004894763 2061 2368.88084 1817.59825 0.0004852014 2071 2418.47253 1816.06326 0.0004828585 2114 2470.40524 1814.52347 0.0004730369 2151 2523.9634 1812.9789 0.0004649 2187 2578.28485 1811.42956 0.0004572474 2220 2632.32596 1809.87546 0.0004504505 2276 2684.94388 1808.31664 0.0004393673 2283 2734.87886 1806.75311 0.0004380201 2344 2780.79815 1805.18488 0.0004266212 2441 2821.33542 1803.61198 0.0004096682 2410 2855.13705 1802.03442 0.0004149378 2508 2880.91945 1800.45222 0.0003987241 2415 2897.54271 1798.86541 0.0004140787 2478 2904.10102 1797.27399 0.0004035513 2436 2900.15601 1795.67799 0.000410509 2437 2885.29261 1794.07743 0.0004103406 2434 2859.97212 1792.47232 0.0004108463 2382 2824.99749 1790.86269 0.0004198153 2363 2781.64288 1789.24856 0.0004231909 2356 2731.31525 1787.62994 0.0004244482 2209 2675.74629 1786.00686 0.0004526935 2177 2616.81411 1784.37933 0.0004593477 2140 2555.86552 1782.74737 0.0004672897 2016 2494.52254 1781.11102 0.0004960317 2040 2434.05259 1779.47027 0.0004901961 2022 2375.41825 1777.82517 0.0004945598 1905 2319.5443 1776.17572 0.0005249344 1942 2267.13763 1774.52195 0.0005149331 1923 2218.16101 1772.86387 0.0005200208 1888 2173.16831 1771.20151 0.000529661 1865 2132.1869 1769.5349 0.000536193 1857 2095.28928 1767.86404 0.000538503 1785 2062.18095 1766.18897 0.0005602241 1782 2032.76565 1764.5097 0.0005611672 1854 2006.90467 1762.82625 0.0005393743 1861 1984.10777 1761.13865 0.0005373455 1854 1964.17161 1759.44692 0.0005393743 1774 1946.77769 1757.75108 0.0005636979 1852 1931.60698 1756.05115 0.0005399568 1931 1918.40112 1754.34716 0.0005178664 1850 1906.7717 1752.63912 0.0005405405 1843 1896.47641 1750.92706 0.0005425936 1865 1887.27952 1749.211 0.000536193 1913 1878.93132 1747.49096 0.0005227392 1875 1871.32355 1745.76697 0.0005333333 1836 1864.26352 1744.03905 0.0005446623 1855 1857.6248 1742.30722 0.0005390836 1863 1851.35703 1740.57151 0.0005367687 1842 1845.38409 1738.83193 0.0005428882 1802 1839.66742 1737.08851 0.000554939 1821 1834.1836 1735.34128 0.0005491488 1794 1828.91955 1733.59025 0.0005574136 1855 1823.86879 1731.83546 0.0005390836 1797 1819.04356 1730.07692 0.000556483 1797 1814.42125 1728.31466 0.000556483 1789 1809.99941 1726.54871 0.0005589715 1780 1805.78584 1724.77908 0.0005617978 1769 1801.77939 1723.0058 0.0005652911 1733 1797.98997 1721.22889 0.000577034 1685 1794.29891 1719.44839 0.0005934718 1707 1790.9003 1717.66431 0.0005858231 1682 1787.69714 1715.87668 0.0005945303 1758 1784.63902 1714.08552 0.0005688282 1721 1781.81426 1712.29086 0.0005810575 1751 1779.17244 1710.49272 0.0005711022 1720 1776.7103 1708.69113 0.0005813953 1742 1774.42579 1706.88611 0.0005740528 1636 1772.33391 1705.07769 0.0006112469 1662 1770.40572 1703.26589 0.0006016847 1701 1768.76968 1701.45075 0.0005878895 1685 1767.21687 1699.63227 0.0005934718 1678 1765.8747 1697.8105 0.0005959476 1731 1764.74388 1695.98545 0.0005777008 1808 1763.91417 1694.15716 0.0005530973 1728 1763.34499 1692.32564 0.0005787037 1753 1763.02125 1690.49093 0.0005704507 1731 1763.03652 1688.65305 0.0005777008 1670 1763.43707 1686.81202 0.0005988024 1745 1764.30677 1684.96788 0.0005730659 1707 1765.64476 1683.12064 0.0005858231 1707 1767.54819 1681.27034 0.0005858231 1777 1770.08966 1679.41701 0.0005627462 1765 1773.34659 1677.56066 0.0005665722 1810 1777.39995 1675.70133 0.0005524862 1832 1782.33231 1673.83904 0.0005458515 1759 1788.22566 1671.97383 0.0005685048 1804 1795.16902 1670.10571 0.0005543237 1762 1803.21372 1668.23472 0.0005675369 1784 1812.4318 1666.36088 0.0005605381 1816 1822.87048 1664.48422 0.0005506608 1912 1834.55775 1662.60477 0.0005230126 1887 1847.50254 1660.72255 0.0005299417 1855 1861.66851 1658.8376 0.0005390836 1993 1876.99976 1656.94994 0.0005017561 1939 1893.36387 1655.05959 0.0005157298 1900 1910.74845 1653.1666 0.0005263158 1999 1928.78552 1651.27098 0.0005002501 1976 1947.28838 1649.37277 0.0005060729 2091 1965.99848 1647.47199 0.0004782401 1997 1984.60334 1645.56867 0.0005007511 1992 2002.66173 1643.66284 0.000502008 2022 2019.80857 1641.75453 0.0004945598 2016 2035.62096 1639.84377 0.0004960317 2036 2049.63607 1637.93058 0.0004911591 2037 2061.49108 1636.015 0.000490918 2015 2070.84927 1634.09706 0.0004962779 2010 2077.16535 1632.17678 0.0004975124 2015 2080.32968 1630.25419 0.0004962779 2010 2080.21114 1628.32932 0.0004975124 2065 2076.83513 1626.40221 0.0004842615 2042 2070.4071 1624.47288 0.000489716 1989 2061.11083 1622.54137 0.0005027652 1960 2049.37145 1620.60769 0.0005102041 1952 2035.62237 1618.67189 0.0005122951 1945 2020.32176 1616.73398 0.0005141388 1885 2003.9244 1614.79401 0.000530504 1813 1986.8609 1612.852 0.000551572 1784 1969.54458 1610.90799 0.0005605381 1841 1952.28969 1608.96199 0.0005431831 1796 1935.42299 1607.01405 0.0005567929 1820 1919.28996 1605.0642 0.0005494505 1796 1903.95699 1603.11246 0.0005567929 1755 1889.6633 1601.15886 0.0005698006 1823 1876.55205 1599.20344 0.0005485464 1804 1864.76772 1597.24623 0.0005543237 1785 1854.25727 1595.28725 0.0005602241 1839 1845.08878 1593.32655 0.0005437738 1768 1837.24626 1591.36415 0.0005656109 1825 1830.69332 1589.40007 0.0005479452 1860 1824.88636 1587.43436 0.0005376344 1775 1820.68954 1585.46705 0.0005633803 1811 1817.53734 1583.49816 0.0005521811 1821 1815.08966 1581.52774 0.0005491488 1833 1813.69868 1579.5558 0.0005455537 1811 1813.00398 1577.58238 0.0005521811 1826 1812.87312 1575.60752 0.0005476451 1864 1813.16855 1573.63124 0.0005364807 1848 1813.75051 1571.65358 0.0005411255 1812 1814.48086 1569.67457 0.0005518764 1802 1815.22864 1567.69425 0.000554939 1858 1815.87704 1565.71264 0.0005382131 1826 1816.33128 1563.72978 0.0005476451 1875 1816.52586 1561.74569 0.0005333333 1829 1816.42963 1559.76042 0.0005467469 1820 1816.04722 1557.774 0.0005494505 1767 1815.41644 1555.78645 0.000565931 1845 1814.60228 1553.79782 0.0005420054 1778 1813.68894 1551.80813 0.0005624297 1669 1812.77133 1549.81742 0.0005991612 1689 1811.94738 1547.82572 0.0005920663 1670 1811.31243 1545.83306 0.0005988024 1747 1810.95591 1543.83948 0.0005724098 1733 1810.96094 1541.84501 0.000577034 1670 1811.40664 1539.84968 0.0005988024 1651 1812.37291 1537.85354 0.0006056935 1723 1813.94721 1535.8566 0.0005803831 1706 1816.23254 1533.85891 0.0005861665 1669 1819.35477 1531.8605 0.0005991612 1703 1823.46791 1529.8614 0.0005871991 1685 1828.75557 1527.86165 0.0005934718 1679 1835.42821 1525.86128 0.0005955926 1624 1843.71626 1523.86032 0.0006157635 1676 1853.85966 1521.85882 0.0005966587 1735 1866.09545 1519.8568 0.0005763689 1670 1880.64438 1517.8543 0.0005988024 1710 1897.69736 1515.85135 0.0005847953 1749 1917.40273 1513.84799 0.0005717553 1777 1939.85501 1511.84425 0.0005627462 1779 1965.08465 1509.84017 0.0005621135 1751 1993.04945 1507.83578 0.0005711022 1827 2023.62738 1505.83111 0.0005473454 1841 2056.59978 1503.82621 0.0005431831 1864 2091.69158 1501.82111 0.0005364807 1934 2128.50286 1499.81583 0.0005170631 1973 2166.54644 1497.81043 0.0005068424 1945 2205.26059 1495.80493 0.0005141388 2010 2243.97711 1493.79936 0.0004975124 2014 2281.94788 1491.79377 0.0004965243 2096 2318.34478 1489.78819 0.0004770992 2147 2352.27234 1487.78265 0.0004657662 2208 2382.78757 1485.77719 0.0004528986 2293 2408.93445 1483.77185 0.0004361099 2296 2429.61737 1481.76666 0.0004355401 2382 2444.37198 1479.76165 0.0004198153 2381 2452.28781 1477.75687 0.0004199916 2384 2453.13831 1475.75235 0.0004194631 2420 2446.71905 1473.74813 0.0004132231 2417 2433.22342 1471.74424 0.000413736 2362 2413.13982 1469.74071 0.00042337 2407 2387.21051 1467.73759 0.0004154549 2430 2356.3681 1465.73491 0.0004115226 2397 2321.66345 1463.73271 0.0004171882 2361 2284.19298 1461.73103 0.0004235493 2334 2245.03478 1459.72989 0.000428449 2188 2205.19843 1457.72934 0.0004570384 2167 2165.59005 1455.72942 0.0004614675 2144 2126.99289 1453.73015 0.0004664179 2017 2090.05933 1451.73159 0.0004957858 1975 2055.31097 1449.73376 0.0005063291 1929 2023.14483 1447.7367 0.0005184033 1946 1993.84201 1445.74045 0.0005138746 1880 1967.57816 1443.74505 0.0005319149 1850 1944.43522 1441.75053 0.0005405405 1879 1924.41311 1439.75694 0.000532198 1888 1907.44127 1437.7643 0.000529661 1832 1893.38933 1435.77265 0.0005458515 1882 1882.0752 1433.78204 0.0005313496 1764 1873.27142 1431.79251 0.0005668934 1807 1866.70835 1429.80408 0.0005534034 1827 1862.076 1427.8168 0.0005473454 1835 1859.02415 1425.8307 0.0005449591 1886 1857.1632 1423.84582 0.0005302227 1818 1856.06739 1421.86221 0.000550055 1869 1855.28202 1419.87989 0.0005350455 1821 1854.33666 1417.89891 0.0005491488 1847 1852.76546 1415.9193 0.0005414185 1780 1850.13272 1413.94111 0.0005617978 1817 1846.06185 1411.96437 0.0005503577 1787 1840.26233 1409.98911 0.0005595971 1741 1832.55053 1408.01539 0.0005743825 1698 1822.85972 1406.04323 0.0005889282 1754 1811.2391 1404.07268 0.0005701254 1719 1797.84139 1402.10377 0.0005817336 1594 1782.90291 1400.13654 0.0006273526 1654 1766.71922 1398.17103 0.0006045949 1675 1749.61981 1396.20729 0.0005970149 1632 1731.94487 1394.24534 0.0006127451 1563 1714.02682 1392.28523 0.0006397953 1611 1696.17632 1390.32699 0.0006207325 1570 1678.67383 1388.37067 0.0006369427 1558 1661.76543 1386.41631 0.0006418485 1575 1645.66169 1384.46394 0.0006349206 1535 1630.53839 1382.5136 0.0006514658 1464 1616.53844 1380.56534 0.0006830601 1446 1603.77426 1378.61918 0.0006915629 1482 1592.32985 1376.67518 0.0006747638 1533 1582.26294 1374.73337 0.0006523157 1528 1573.44425 1372.79379 0.0006544503 1533 1566.21194 1370.85648 0.0006523157 1497 1560.3925 1368.92147 0.0006680027 1503 1555.87635 1366.98882 0.000665336 1499 1552.78075 1365.05856 0.0006671114 1537 1550.96184 1363.13072 0.0006506181 1500 1550.34284 1361.20535 0.0006666667 1529 1550.83279 1359.28249 0.0006540222 1535 1552.32784 1357.36218 0.0006514658 1537 1554.71129 1355.44446 0.0006506181 1499 1557.8543 1353.52937 0.0006671114 1552 1561.61631 1351.61695 0.0006443299 1566 1565.84607 1349.70723 0.0006385696 1560 1570.38367 1347.80026 0.0006410256 1619 1575.06396 1345.89609 0.0006176652 1621 1579.72227 1343.99474 0.0006169031 1575 1584.20206 1342.09627 0.0006349206 1576 1588.36454 1340.2007 0.0006345178 1594 1592.09913 1338.30809 0.0006273526 1582 1595.3333 1336.41847 0.0006321113 1645 1598.03979 1334.53188 0.0006079027 1583 1600.23994 1332.64836 0.0006317119 1625 1602.00218 1330.76796 0.0006153846 1654 1603.43603 1328.89072 0.0006045949 1655 1604.61796 1327.01667 0.0006042296 1704 1605.83707 1325.14585 0.0005868545 1638 1607.19524 1323.27832 0.0006105006 1606 1608.82086 1321.4141 0.000622665 1641 1610.92196 1319.55324 0.0006093845 1615 1613.5837 1317.69579 0.000619195 1680 1616.89074 1315.84178 0.0005952381 1649 1620.88982 1313.99125 0.0006064281 1665 1625.58627 1312.14424 0.0006006006 1636 1630.94152 1310.3008 0.0006112469 1615 1636.87133 1308.46097 0.000619195 1652 1643.24468 1306.62479 0.0006053269 1665 1649.88302 1304.79229 0.0006006006 1613 1656.56188 1302.96353 0.0006199628 1607 1663.01443 1301.13855 0.0006222775 1674 1668.93878 1299.31737 0.0005973716 1649 1674.01046 1297.50006 0.0006064281 1602 1677.89936 1295.68664 0.0006242197 1585 1680.29152 1293.87716 0.0006309148 1654 1680.91302 1292.07167 0.0006045949 1649 1679.55209 1290.2702 0.0006064281 1606 1676.07737 1288.47279 0.000622665 1629 1670.44802 1286.67949 0.0006138735 1589 1662.71513 1284.89034 0.0006293266 1555 1653.01462 1283.10539 0.0006430868 1699 1641.55362 1281.32466 0.0005885815 1724 1628.59234 1279.54822 0.0005800464 1674 1614.42479 1277.77609 0.0005973716 1701 1599.36009 1276.00832 0.0005878895 1724 1583.70662 1274.24495 0.0005800464 1643 1567.75983 1272.48603 0.0006086427 1713 1551.55101 1270.7316 0.0005837712 1757 1535.81604 1268.98169 0.000569152 1765 1520.44203 1267.23636 0.0005665722 1812 1505.80355 1265.49564 0.0005518764 1786 1491.85836 1263.75958 0.0005599104 1791 1478.94969 1262.02821 0.0005583473 1763 1467.17092 1260.30159 0.000567215 1811 1456.58294 1258.57976 0.0005521811 1807 1447.27505 1256.86275 0.0005534034 1788 1439.3216 1255.15061 0.0005592841 1744 1432.78341 1253.44339 0.0005733945 1719 1427.70912 1251.74112 0.0005817336 1707 1424.13618 1250.04385 0.0005858231 1677 1422.09158 1248.35162 0.0005963029 1618 1421.59239 1246.66447 0.000618047 1633 1422.6459 1244.98246 0.0006123699 1611 1425.24953 1243.30561 0.0006207325 1563 1429.39045 1241.63397 0.0006397953 1535 1435.04459 1239.9676 0.0006514658 1519 1442.17649 1238.30652 0.0006583278 1525 1450.73668 1236.65078 0.0006557377 1535 1460.66092 1235.00043 0.0006514658 1537 1471.86838 1233.35551 0.0006506181 1611 1484.25905 1231.71606 0.0006207325 1552 1497.71161 1230.08213 0.0006443299 1612 1512.08094 1228.45375 0.0006203474 1626 1527.19526 1226.83098 0.0006150062 1620 1542.85373 1225.21386 0.000617284 1675 1558.8242 1223.60242 0.0005970149 1679 1574.84205 1221.99671 0.0005955926 1774 1590.61066 1220.39679 0.0005636979 1901 1605.80417 1218.80268 0.0005260389 1899 1620.06108 1217.21443 0.0005265929 1943 1633.04416 1215.63209 0.000514668 1984 1644.37877 1214.0557 0.0005040323 1992 1653.71398 1212.48531 0.000502008 1978 1660.75393 1210.92095 0.0005055612 2007 1665.23946 1209.36268 0.0004982561 2066 1666.98999 1207.81053 0.0004840271 2056 1665.90973 1206.26455 0.0004863813 2136 1661.99342 1204.72478 0.0004681648 2031 1655.32569 1203.19127 0.0004923683 2002 1646.07327 1201.66406 0.0004995005 1951 1634.47195 1200.14319 0.0005125577 1928 1620.81043 1198.62871 0.0005186722 1883 1605.41256 1197.12067 0.0005310674 1806 1588.61977 1195.6191 0.0005537099 1774 1570.77572 1194.12405 0.0005636979 1708 1552.21347 1192.63557 0.0005854801 1671 1533.00644 1191.15369 0.000598444 1583 1513.92016 1189.67847 0.0006317119 1563 1494.96927 1188.20995 0.0006397953 1550 1476.25697 1186.74816 0.0006451613 1551 1458.2139 1185.29317 0.0006447453 1510 1440.87921 1183.845 0.0006622517 1498 1424.38295 1182.4037 0.0006675567 1440 1408.82802 1180.96933 0.0006944444 1399 1394.29248 1179.54191 0.0007147963 1385 1380.8321 1178.12151 0.0007220217 1408 1368.48279 1176.70815 0.0007102273 1398 1357.2632 1175.30189 0.0007153076 1353 1347.17715 1173.90277 0.0007390983 1347 1338.21601 1172.51084 0.0007423905 1423 1330.36116 1171.12613 0.0007027407 1411 1323.5861 1169.7487 0.0007087172 1377 1317.85862 1168.37859 0.0007262164 1352 1313.14279 1167.01583 0.000739645 1376 1309.40076 1165.66049 0.0007267442 1348 1306.59446 1164.3126 0.0007418398 1356 1304.68712 1162.9722 0.0007374631 1353 1303.64468 1161.63934 0.0007390983 1385 1303.43703 1160.31407 0.0007220217 1358 1304.03914 1158.99643 0.000736377 1427 1305.43195 1157.68647 0.0007007708 1412 1307.60315 1156.38423 0.0007082153 1367 1310.54752 1155.08975 0.0007315289 1357 1314.26712 1153.80307 0.0007369197 1372 1318.771 1152.52426 0.000728863 1399 1324.07464 1151.25334 0.0007147963 1395 1330.19916 1149.99036 0.0007168459 1403 1337.17018 1148.73538 0.0007127584 1440 1345.01693 1147.48843 0.0006944444 1427 1353.77124 1146.24955 0.0007007708 1428 1363.46693 1145.0188 0.0007002801 1360 1374.13949 1143.79622 0.0007352941 1390 1385.82625 1142.58185 0.0007194245 1400 1398.56672 1141.37574 0.0007142857 1437 1412.40302 1140.17793 0.0006958942 1452 1427.38002 1138.98847 0.0006887052 1472 1443.54496 1137.8074 0.0006793478 1453 1460.94592 1136.63477 0.0006882312 1498 1479.62961 1135.47062 0.0006675567 1498 1499.63766 1134.31501 0.0006675567 1494 1521.00241 1133.16796 0.000669344 1532 1543.74173 1132.02953 0.0006527415 1534 1567.85352 1130.89977 0.0006518905 1590 1593.31043 1129.77872 0.0006289308 1628 1620.05464 1128.66642 0.0006142506 1677 1647.99405 1127.56291 0.0005963029 1745 1676.99977 1126.46826 0.0005730659 1769 1706.90574 1125.38249 0.0005652911 1874 1737.51153 1124.30565 0.0005336179 1929 1768.5871 1123.2378 0.0005184033 1933 1799.88091 1122.17897 0.0005173306 2007 1831.12929 1121.12921 0.0004982561 2064 1862.06641 1120.08856 0.0004844961 2138 1892.43283 1119.05708 0.0004677268 2184 1921.98159 1118.0348 0.0004578755 2284 1950.4807 1117.02177 0.0004378284 2338 1977.71255 1116.01804 0.000427716 2299 2003.47083 1115.02365 0.0004349717 2246 2027.55659 1114.03865 0.000445236 2201 2049.77505 1113.06308 0.0004543389 2269 2069.93365 1112.09699 0.0004407228 2236 2087.84315 1111.14042 0.0004472272 2181 2103.32002 1110.19342 0.0004585053 2168 2116.1904 1109.25603 0.0004612546 2105 2126.29506 1108.3283 0.0004750594 2035 2133.49408 1107.41028 0.0004914005 2099 2137.6722 1106.50201 0.0004764173 2122 2138.74374 1105.60353 0.0004712535 2058 2136.6585 1104.71489 0.0004859086 2020 2131.40641 1103.83614 0.0004950495 1998 2123.02159 1102.96732 0.0005005005 2052 2111.51903 1102.10848 0.0004873294 2057 2097.15163 1101.25965 0.0004861449 2058 2080.01756 1100.4209 0.0004859086 2073 2060.28029 1099.59226 0.0004823927 2064 2038.22462 1098.77378 0.0004844961 2044 2013.8388 1097.9655 0.0004892368 2074 1987.80404 1097.16748 0.0004821601 2068 1960.15574 1096.37975 0.000483559 2053 1931.14993 1095.60235 0.0004870921 2009 1900.93715 1094.83535 0.0004977601 1956 1869.99414 1094.07877 0.0005112474 1916 1838.47517 1093.33268 0.0005219207 1916 1806.64393 1092.5971 0.0005219207 1894 1774.76337 1091.8721 0.0005279831 1879 1743.09288 1091.1577 0.000532198 1832 1711.88424 1090.45397 0.0005458515 1831 1681.37781 1089.76094 0.0005461496 1832 1651.79797 1089.07866 0.0005458515 1808 1623.34969 1088.40718 0.0005530973 1745 1596.21554 1087.74653 0.0005730659 1659 1570.55353 1087.09677 0.0006027728 1628 1546.49625 1086.45795 0.0006142506 1594 1524.15065 1085.8301 0.0006273526 1566 1503.59865 1085.21328 0.0006385696 1563 1484.89838 1084.60752 0.0006397953 1575 1468.08545 1084.01288 0.0006349206 1541 1453.17494 1083.4294 0.0006489293 1526 1440.16311 1082.85712 0.000655308 1507 1429.02964 1082.29609 0.00066357 1447 1419.73993 1081.74636 0.000691085 1479 1412.24745 1081.20797 0.0006761325 1528 1406.49658 1080.68096 0.0006544503 1475 1402.42499 1080.16539 0.0006779661 1443 1399.96639 1079.6613 0.0006930007 1470 1399.05225 1079.16873 0.0006802721 1478 1399.61357 1078.68773 0.00067659 1488 1401.5813 1078.21834 0.000672043 1493 1404.88627 1077.76062 0.0006697924 1468 1409.45796 1077.31459 0.0006811989 1418 1415.22282 1076.88032 0.0007052186 1442 1422.10186 1076.45785 0.0006934813 1459 1430.00787 1076.04722 0.000685401 1442 1438.8426 1075.64847 0.0006934813 1470 1448.49396 1075.26166 0.0006802721 1483 1458.8276 1074.88682 0.0006743088 1482 1469.7081 1074.52401 0.0006747638 1443 1480.96306 1074.17326 0.0006930007 1449 1492.40322 1073.83464 0.0006901311 1482 1503.8294 1073.50817 0.0006747638 1508 1515.01806 1073.1939 0.00066313 1552 1525.73768 1072.89189 0.0006443299 1570 1535.75245 1072.60217 0.0006369427 1566 1544.83068 1072.32479 0.0006385696 1595 1552.75439 1072.0598 0.0006269592 1579 1559.32925 1071.80724 0.0006333122 1568 1564.39421 1071.56716 0.0006377551 1598 1567.82955 1071.3396 0.0006257822 1648 1569.5635 1071.12461 0.0006067961 1668 1569.57513 1070.92223 0.0005995204 1645 1567.89578 1070.73251 0.0006079027 1595 1564.60697 1070.5555 0.0006269592 1577 1559.83666 1070.39123 0.0006341154 1617 1553.75215 1070.23976 0.0006184292 1585 1546.55277 1070.10113 0.0006309148 1554 1538.46066 1069.97538 0.0006435006 1573 1529.71184 1069.86256 0.0006357279 1565 1520.54732 1069.76272 0.0006389776 1514 1511.20499 1069.6759 0.000660502 1517 1501.91297 1069.60214 0.0006591958 1494 1492.88379 1069.5415 0.000669344 1458 1484.31016 1069.49401 0.0006858711 1467 1476.36214 1069.45972 0.0006816633 1453 1469.18505 1069.43868 0.0006882312 1425 1462.89884 1069.43094 0.0007017544 1406 1457.59792 1069.43652 0.0007112376 1397 1453.35171 1069.45549 0.0007158196 1391 1450.20537 1069.48789 0.0007189073 1391 1448.18071 1069.53376 0.0007189073 1393 1447.27721 1069.59314 0.0007178751 1403 1447.47279 1069.66609 0.0007127584 1380 1448.72482 1069.75264 0.0007246377 1374 1450.97118 1069.85285 0.000727802 1419 1454.13174 1069.96676 0.0007047216 1401 1458.11052 1070.0944 0.0007137759 1320 1462.79855 1070.23583 0.0007575758 1314 1468.07753 1070.3911 0.000761035 1355 1473.82461 1070.56024 0.0007380074 1354 1479.91648 1070.7433 0.0007385524 1341 1486.2342 1070.94033 0.0007457122 1354 1492.66704 1071.15137 0.0007385524 1355 1499.11459 1071.37647 0.0007380074 1357 1505.48775 1071.61567 0.0007369197 1359 1511.70796 1071.86901 0.0007358352 1356 1517.70518 1072.13655 0.0007374631 1342 1523.41506 1072.41832 0.0007451565 1338 1528.7761 1072.71437 0.0007473842 1320 1533.7273 1073.02474 0.0007575758 1315 1538.20706 1073.34949 0.0007604563 1356 1542.15381 1073.68865 0.0007374631 1389 1545.50827 1074.04227 0.0007199424 1393 1548.21712 1074.41039 0.0007178751 1422 1550.23748 1074.79306 0.0007032349 1431 1551.54127 1075.19032 0.000698812 1387 1552.11864 1075.60222 0.0007209805 1405 1551.97984 1076.0288 0.0007117438 1455 1551.15469 1076.47011 0.0006872852 1412 1549.69027 1076.92619 0.0007082153 1382 1547.64658 1077.39708 0.000723589 1418 1545.09085 1077.88284 0.0007052186 1418 1542.09134 1078.38349 0.0007052186 1376 1538.7107 1078.8991 0.0007267442 1355 1535.00056 1079.4297 0.0007380074 1353 1530.99644 1079.97533 0.0007390983 1333 1526.71479 1080.53605 0.0007501875 1292 1522.15191 1081.11189 0.0007739938 1294 1517.2841 1081.70291 0.0007727975 1318 1512.07019 1082.30914 0.0007587253 1333 1506.45596 1082.93062 0.0007501875 1350 1500.37929 1083.56741 0.0007407407 1331 1493.77651 1084.21954 0.0007513148 1267 1486.58883 1084.88707 0.000789266 1231 1478.76859 1085.57003 0.0008123477 1269 1470.28437 1086.26847 0.0007880221 1311 1461.12472 1086.98243 0.0007627765 1297 1451.30016 1087.71196 0.00077101 1317 1440.84341 1088.4571 0.0007593014 1323 1429.80802 1089.2179 0.0007558579 1309 1418.26554 1089.99439 0.0007639419 1343 1406.30195 1090.78663 0.0007446016 1331 1393.92307 1091.59465 0.0007513148 1318 1381.41191 1092.41851 0.0007587253 1306 1368.7815 1093.25824 0.0007656968 1292 1356.08844 1094.11388 0.0007739938 1287 1343.52042 1094.98549 0.0007770008 1270 1331.12189 1095.8731 0.0007874016 1264 1318.97412 1096.77676 0.0007911392 1233 1307.14891 1097.69652 0.00081103 1219 1295.70812 1098.63241 0.0008203445 1244 1284.7038 1099.58448 0.0008038585 1233 1274.17842 1100.55277 0.00081103 1161 1264.16543 1101.53733 0.0008613264 1161 1254.67634 1102.5382 0.0008613264 1149 1245.75557 1103.55543 0.000870322 1117 1237.3998 1104.58905 0.0008952551 1174 1229.61285 1105.63911 0.0008517888 1150 1222.38617 1106.70565 0.0008695652 1108 1215.72648 1107.78872 0.0009025271 1140 1209.61574 1108.88836 0.000877193 1109 1204.0389 1110.00462 0.0009017133 1096 1198.97775 1111.13753 0.0009124088 1118 1194.41142 1112.28714 0.0008944544 1110 1190.317 1113.45349 0.0009009009 1097 1186.66998 1114.63663 0.000911577 1115 1183.4448 1115.8366 0.000896861 1131 1180.61525 1117.05344 0.0008841733 1149 1178.15492 1118.28719 0.000870322 1113 1176.03011 1119.5379 0.0008984726 1100 1174.22994 1120.80562 0.0009090909 1076 1172.72189 1122.09037 0.000929368 1080 1171.48189 1123.39221 0.0009259259 1113 1170.48333 1124.71118 0.0008984726 1115 1169.71204 1126.04732 0.000896861 1103 1169.14406 1127.40068 0.0009066183 1075 1168.76063 1128.77129 0.0009302326 1080 1168.54445 1130.1592 0.0009259259 1096 1168.4797 1131.56445 0.0009124088 1112 1168.55199 1132.98709 0.0008992806 1126 1168.74834 1134.42715 0.0008880995 1124 1169.05707 1135.88469 0.0008896797 1116 1169.46586 1137.35973 0.0008960573 1095 1169.96925 1138.85233 0.000913242 1068 1170.55714 1140.36252 0.0009363296 1097 1171.22135 1141.89035 0.000911577 1139 1171.95744 1143.43587 0.0008779631 1135 1172.75892 1144.9991 0.0008810573 1142 1173.59393 1146.5801 0.0008756567 1146 1174.51238 1148.17891 0.0008726003 1130 1175.48348 1149.79557 0.0008849558 1151 1176.50404 1151.43011 0.0008688097 1168 1177.5578 1153.08259 0.0008561644 1118 1178.66937 1154.75305 0.0008944544 1157 1179.82311 1156.44152 0.0008643042 1205 1181.01718 1158.14804 0.0008298755 1210 1182.24999 1159.87267 0.0008264463 1189 1183.52012 1161.61544 0.0008410429 1196 1184.82633 1163.37639 0.0008361204 1195 1186.16752 1165.15557 0.0008368201 1246 1187.5427 1166.95302 0.0008025682 1230 1188.95102 1168.76877 0.0008130081 1200 1190.39167 1170.60287 0.0008333333 1211 1191.86394 1172.45536 0.0008257638 1245 1193.3672 1174.32629 0.0008032129 1213 1194.90086 1176.21568 0.0008244023 1210 1196.46437 1178.12359 0.0008264463 1201 1198.05724 1180.05006 0.0008326395 1203 1199.67902 1181.99513 0.0008312552 1201 1201.30587 1183.95883 0.0008326395 1179 1202.98432 1185.94121 0.0008481764 1139 1204.69048 1187.94231 0.0008779631 1114 1206.41229 1189.96218 0.0008976661 1126 1208.17294 1192.00084 0.0008880995 1205 1209.96035 1194.05835 0.0008298755 1210 1211.77425 1196.13474 0.0008264463 1187 1213.61436 1198.23005 0.00084246 1179 1215.48044 1200.34433 0.0008481764 1188 1217.37226 1202.47762 0.0008417508 1201 1219.2896 1204.62995 0.0008326395 1222 1221.23225 1206.80137 0.0008183306 1251 1223.20003 1208.99191 0.0007993605 1265 1225.19274 1211.20163 0.0007905138 1293 1227.21022 1213.43055 0.0007733952 1265 1229.25231 1215.67872 0.0007905138 1317 1231.31886 1217.94617 0.0007593014 1327 1233.40971 1220.23296 0.0007535795 1326 1235.52474 1222.53911 0.0007541478 1324 1237.66383 1224.86468 0.000755287 1367 1239.82684 1227.20969 0.0007315289 1392 1242.01367 1229.57419 0.0007183908 1333 1244.22421 1231.95822 0.0007501875 1318 1246.45836 1234.36182 0.0007587253 1312 1248.71603 1236.78503 0.0007621951 1307 1250.99713 1239.22788 0.0007651109 1291 1253.30158 1241.69042 0.0007745933 1347 1255.62929 1244.17269 0.0007423905 1307 1257.96863 1246.67473 0.0007651109 1261 1260.34272 1249.19657 0.0007930214 1269 1262.73987 1251.73826 0.0007880221 1221 1265.16003 1254.29984 0.0008190008 1228 1267.59735 1256.88134 0.0008143322 1216 1270.04163 1259.4828 0.0008223684 1254 1272.53059 1262.10427 0.0007974482 1267 1275.04236 1264.74577 0.000789266 1235 1277.57688 1267.40736 0.0008097166 1230 1280.12326 1270.08907 0.0008130081 1200 1282.70324 1272.79094 0.0008333333 1210 1285.30586 1275.51301 0.0008264463 1218 1287.9311 1278.25531 0.0008210181 1253 1290.57892 1281.01789 0.0007980846 1239 1293.06165 1283.80079 0.0008071025 1319 1295.75537 1286.60403 0.0007581501 1342 1298.47161 1289.42767 0.0007451565 1315 1301.1162 1292.27174 0.0007604563 1349 1303.87781 1295.13628 0.0007412898 1317 1306.66188 1298.02132 0.0007593014 1374 1309.46839 1300.92691 0.000727802 1361 1312.29733 1303.85308 0.0007347539 1413 1315.1487 1306.79988 0.0007077141 1468 1318.02248 1309.76733 0.0006811989 1459 1320.91866 1312.75549 0.000685401 1445 1323.83724 1315.76437 0.0006920415 1446 1326.77822 1318.79404 0.0006915629 1445 1329.74159 1321.84451 0.0006920415 1477 1332.72735 1324.91583 0.0006770481 1457 1335.7355 1328.00804 0.0006863418 1469 1338.76604 1331.12118 0.0006807352 1396 1341.81898 1334.25528 0.0007163324 1421 1344.8943 1337.41037 0.0007037298 1421 1347.99203 1340.58651 0.0007037298 1402 1351.11216 1343.78372 0.0007132668 1416 1354.2547 1347.00204 0.0007062147 1388 1357.41965 1350.24151 0.0007204611 1401 1360.60703 1353.50217 0.0007137759 1419 1363.81684 1356.78405 0.0007047216 1386 1367.04908 1360.08719 0.0007215007 1397 1370.29214 1363.41163 0.0007158196 1345 1373.56935 1366.75741 0.0007434944 1389 1376.86903 1370.12455 0.0007199424 1414 1380.19119 1373.51311 0.0007072136 1435 1383.53003 1376.9231 0.0006968641 1412 1386.89722 1380.35458 0.0007082153 1417 1390.28694 1383.80758 0.0007057163 1428 1393.6992 1387.28213 0.0007002801 1410 1397.13401 1390.77827 0.0007092199 1359 1400.59138 1394.29604 0.0007358352 1371 1404.07134 1397.83547 0.0007293946 1400 1407.5739 1401.39661 0.0007142857 1376 1411.09893 1404.97947 0.0007267442 1404 1414.64674 1408.58411 0.0007122507 1427 1418.21721 1412.21056 0.0007007708 1414 1421.81027 1415.85885 0.0007072136 1377 1425.4261 1419.52902 0.0007262164 1377 1429.06464 1423.2211 0.0007262164 1435 1432.65377 1426.93513 0.0006968641 1437 1436.33808 1430.67115 0.0006958942 1432 1440.04516 1434.42919 0.000698324 1411 0 0 0.0007087172 loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_meas _refln_F_squared_calc _refln_phase_calc _pd_refln_d_spacing _gsas_i100_meas 1 1 0 72284.5733 69769.0691 0.0 13.332 16.73 1 0 1 60776.0812 58993.4785 180.0 13.129 100.00 2 0 0 21993.5755 20293.2119 180.0 9.427 2.63 0 0 2 86035.1119 100640.8481 -0.0 9.146 29.92 2 1 1 20157.2809 19582.2255 -0.0 7.657 12.45 1 1 2 22.6046 22.2241 -180.0 7.542 0.02 2 2 0 2719.7599 6337.6274 0.0 6.666 0.17 2 0 2 1465.0665 2779.9790 0.0 6.564 0.66 3 1 0 15.7071 16.3808 0.0 5.962 0.00 3 0 1 39728.8078 43574.8961 -0.0 5.944 6.31 1 0 3 6779.6125 9999.1233 180.0 5.801 3.79 2 2 2 41112.7444 46368.2363 -180.0 5.387 9.94 3 2 1 25145.7882 26616.0138 180.0 5.028 5.38 3 1 2 9540.4623 9104.1926 180.0 4.995 3.69 2 1 3 7889.6055 7245.1774 -180.0 4.941 5.18 4 0 0 73727.2858 59798.0493 0.0 4.714 2.55 0 0 4 69893.4726 57622.3679 -0.0 4.573 7.09 3 3 0 920.9989 747.6018 0.0 4.444 0.03 4 1 1 9566.2464 7770.2422 180.0 4.436 1.56 3 0 3 1951.6864 1429.4239 -180.0 4.376 0.44 1 1 4 4229.1717 2609.2594 0.0 4.326 1.43 4 2 0 5718.1471 5247.3954 0.0 4.216 0.33 4 0 2 2238.9535 2432.2633 -0.0 4.190 0.27 2 0 4 11305.2606 16428.9526 0.0 4.114 3.25 3 3 2 2085.4389 1098.8938 180.0 3.997 0.22 3 2 3 11165.4586 5575.9217 180.0 3.969 3.74 4 2 2 14136.5054 9517.5851 -0.0 3.829 2.68 2 2 4 3773.2709 3306.8553 180.0 3.771 0.83 5 1 0 52633.8771 59299.0503 0.0 3.698 2.48 4 3 1 2089.4508 2359.1962 -0.0 3.693 0.24 5 0 1 11921.5428 13460.5981 180.0 3.693 0.68 4 1 3 6.7653 7.8140 0.0 3.658 0.00 3 1 4 308.0066 381.1402 0.0 3.629 0.12 1 0 5 7170.5900 10624.7582 0.0 3.591 1.94 5 2 1 4256.0453 8148.0290 -180.0 3.439 0.43 5 1 2 9852.7659 18881.2567 -0.0 3.428 1.44 2 1 5 109.4408 171.5853 -180.0 3.356 0.05 4 4 0 65.4532 104.6110 0.0 3.333 0.00 4 0 4 7.7664 12.5436 0.0 3.282 0.00 5 3 0 22.9991 24.6990 0.0 3.233 0.00 4 3 3 4319.3659 4897.7542 -180.0 3.207 0.81 5 0 3 3250.2955 3685.5292 0.0 3.207 0.30 3 3 4 1180.9908 1425.1036 180.0 3.187 0.16 3 0 5 493.3723 575.9052 -180.0 3.162 0.09 6 0 0 1283.4154 1460.9834 0.0 3.142 0.02 4 4 2 5542.8992 6499.3475 180.0 3.132 0.33 4 2 4 966.4113 1382.1140 -0.0 3.100 0.24 6 1 1 1603.1559 2110.5658 -180.0 3.056 0.13 0 0 6 2389.8408 2990.0192 -180.0 3.049 0.13 5 3 2 1148.8050 1437.0059 0.0 3.049 0.13 5 2 3 15054.9177 17515.0922 -180.0 3.036 2.45 3 2 5 514.1426 573.3457 -180.0 2.998 0.16 6 2 0 57.9739 67.1464 180.0 2.981 0.00 1 1 6 2314.2445 2768.5619 -180.0 2.972 0.47 6 0 2 8718.1963 10430.8564 -0.0 2.972 0.47 5 4 1 630.9229 637.4443 0.0 2.907 0.05 2 0 6 2906.7883 2852.5539 0.0 2.901 0.55 5 1 4 15.6699 14.2573 -0.0 2.875 0.00 4 1 5 5584.1477 4441.9767 -0.0 2.857 1.52 6 2 2 53.1474 32.6116 180.0 2.834 0.01 6 3 1 10770.9456 6932.7322 -180.0 2.778 0.76 2 2 6 9959.3815 6501.7683 -180.0 2.772 1.66 6 1 3 898.6012 606.2078 -180.0 2.763 0.12 3 1 6 135.2337 104.6298 180.0 2.714 0.04 4 4 4 2695.0855 2247.6497 0.0 2.693 0.23 5 5 0 23778.2263 20582.9375 0.0 2.666 0.36 7 1 0 29047.4693 25144.1069 180.0 2.666 0.87 7 0 1 4559.0042 3953.8468 -0.0 2.665 0.15 5 4 3 12796.1834 11329.2865 -0.0 2.652 1.51 5 3 4 11477.1063 10259.0987 0.0 2.640 1.86 4 3 5 396.8119 349.0279 -180.0 2.626 0.09 5 0 5 9238.0841 8125.6347 -0.0 2.626 1.00 6 4 0 3835.4836 3315.9218 0.0 2.615 0.11 6 0 4 2065.2359 1814.9141 -180.0 2.590 0.16 1 0 7 508.1610 448.1854 -0.0 2.588 0.09 7 2 1 2435.1310 2292.5642 180.0 2.564 0.15 4 0 6 7453.2463 7106.3656 0.0 2.560 0.99 5 5 2 900.2568 858.4081 -0.0 2.560 0.04 7 1 2 604.3567 576.2630 180.0 2.560 0.05 6 3 3 5432.3350 5314.5714 -180.0 2.552 0.59 5 2 5 451.7746 507.3237 180.0 2.529 0.09 3 3 6 1463.8130 1833.8253 180.0 2.514 0.19 6 4 2 4677.4686 5860.4610 -0.0 2.514 0.36 6 2 4 293.9313 397.6415 0.0 2.497 0.04 2 1 7 2274.9882 3091.0514 -180.0 2.496 0.72 7 3 0 4709.0454 6734.8931 0.0 2.476 0.13 4 2 6 2290.9710 3324.1851 180.0 2.470 0.55 7 0 3 1553.0145 2316.5203 -180.0 2.464 0.08