# Electronic Supplementary Material (ESI) for CrystEngComm # This journal is © The Royal Society of Chemistry 2012 ####################################################################### # # Cambridge Crystallographic Data Centre # CCDC # ####################################################################### # # This CIF contains data from an original supplementary publication # deposited with the CCDC, and may include chemical, crystal, # experimental, refinement, atomic coordinates, # anisotropic displacement parameters and molecular geometry data, # as required by the journal to which it was submitted. # # This CIF is provided on the understanding that it is used for bona # fide research purposes only. It may contain copyright material # of the CCDC or of third parties, and may not be copied or further # disseminated in any form, whether machine-readable or not, # except for the purpose of generating routine backup copies # on your local computer system. # # For further information on the CCDC, data deposition and # data retrieval see: # www.ccdc.cam.ac.uk # # Bona fide researchers may freely download Mercury and enCIFer # from this site to visualise CIF-encoded structures and # to carry out CIF format checking respectively. # ####################################################################### data_ACM_FormII _database_code_depnum_ccdc_archive 'CCDC 900783' #TrackingRef '14760_web_deposit_cif_file_1_AshwiniNangia_1350520027.ACM_FormII.cif' _pd_block_id 2012-06-11T19:58|ACEMETACIN|| _audit_creation_method 'from EXP file using GSAS2CIF' _audit_creation_date 2012-06-11T19:58 _audit_update_record ; 2012-06-11T19:58 Initial CIF as created by GSAS2CIF ; _refine_special_details ; ? ; _pd_proc_ls_special_details ; ? ; # The following items are used to identify the programs used. _computing_molecular_graphics ? _computing_publication_material ? _refine_ls_weighting_scheme ? _refine_ls_weighting_details ? _refine_ls_hydrogen_treatment ? _refine_ls_extinction_method ? _refine_ls_extinction_coef ? _refine_ls_number_constraints ? _refine_ls_restrained_S_all ? _refine_ls_restrained_S_obs ? #============================================================================== # 6. SAMPLE PREPARATION DATA # (In the unusual case where multiple samples are used in a single # Rietveld study, this information should be moved into the phase # blocks) # The following three fields describe the preparation of the material. # The cooling rate is in K/min. The pressure at which the sample was # prepared is in kPa. The temperature of preparation is in K. _pd_prep_cool_rate ? _pd_prep_pressure ? _pd_prep_temperature ? _pd_char_colour ? # use ICDD colour descriptions _refine_ls_shift/su_max 0.03 _refine_ls_shift/su_mean 0.01 _computing_structure_refinement GSAS _refine_ls_number_parameters 135 _refine_ls_goodness_of_fit_all 2.31 _refine_ls_number_restraints 102 _refine_ls_matrix_type full #============================================================================== # 7. CHEMICAL, STRUCTURAL AND CRYSTAL DATA _pd_char_particle_morphology ? _chemical_name_systematic ; ? ; _chemical_name_common 'from D:/data/P.Sapui/gsas_26052012/ps1.cif' _chemical_formula_moiety ? _chemical_formula_structural ? _chemical_formula_analytical ? _chemical_melting_point ? _chemical_compound_source ? # for minerals and # natural products _symmetry_space_group_name_Hall ? _exptl_crystal_F_000 ? _exptl_crystal_density_diffrn ? _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _cell_measurement_temperature 293 _cell_special_details ; ? ; _geom_special_details ? # The following item identifies the program(s) used (if appropriate). _computing_structure_solution ? #============================================================================== # 8. Phase information from GSAS _pd_phase_name 'from D:/data/P.Sapui/gsas_26052012/ps1.cif' _cell_length_a 22.5733(13) _cell_length_b 4.89448(21) _cell_length_c 18.3874(9) _cell_angle_alpha 90.0 _cell_angle_beta 108.5192(27) _cell_angle_gamma 90.0 _cell_volume 1926.32(23) _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M 'P 1 21/n 1' loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 +x,+y,+z 2 -x+1/2,+y+1/2,-z+1/2 -1 -x,-y,-z -2 +x+1/2,-y+1/2,+z+1/2 # ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS loop_ _atom_site_type_symbol _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_thermal_displace_type _atom_site_U_iso_or_equiv _atom_site_symmetry_multiplicity C C2 0.09092(12) -0.2021(4) 0.19903(14) 1.0 Uiso 0.04 4 C C1 0.14117(11) -0.0705(5) 0.18469(14) 1.0 Uiso 0.04 4 C C6 0.17660(9) 0.1225(5) 0.23679(17) 1.0 Uiso 0.04 4 C C5 0.16161(13) 0.1832(4) 0.30338(14) 1.0 Uiso 0.04 4 C C4 0.11142(12) 0.0508(5) 0.31783(13) 1.0 Uiso 0.04 4 C C3 0.07602(9) -0.1412(5) 0.26556(17) 1.0 Uiso 0.04 4 Cl Cl1 0.15945(14) -0.1463(6) 0.10198(15) 1.0 Uiso 0.04 4 C C7 0.09499(16) 0.1161(7) 0.38879(14) 1.0 Uiso 0.04 4 O O1 0.04244(18) 0.1991(16) 0.38122(27) 1.0 Uiso 0.04 4 N N1 0.14240(21) 0.1666(14) 0.45956(21) 1.0 Uiso 0.04 4 C C12 0.13620(11) 0.3422(5) 0.51639(15) 1.0 Uiso 0.04 4 C C11 0.19162(11) 0.3374(5) 0.57790(16) 1.0 Uiso 0.04 4 C C10 0.23268(19) 0.1384(9) 0.56025(18) 1.0 Uiso 0.04 4 C C8 0.20220(21) 0.0376(15) 0.48749(19) 1.0 Uiso 0.04 4 C C13 0.08840(10) 0.5241(6) 0.51631(15) 1.0 Uiso 0.04 4 C C14 0.09621(10) 0.7017(4) 0.57812(19) 1.0 Uiso 0.04 4 C C15 0.15169(10) 0.6979(5) 0.64004(16) 1.0 Uiso 0.04 4 C C16 0.19945(9) 0.5153(5) 0.63992(14) 1.0 Uiso 0.04 4 O O6 0.15912(13) 0.8714(6) 0.70032(18) 1.0 Uiso 0.04 4 C C17 0.10927(13) 1.0376(5) 0.69805(11) 1.0 Uiso 0.04 4 C C9 0.23163(10) -0.1327(5) 0.44047(13) 1.0 Uiso 0.04 4 C C18 0.29119(17) 0.0162(5) 0.61780(14) 1.0 Uiso 0.04 4 C C19 0.35071(18) 0.1752(12) 0.6232(4) 1.0 Uiso 0.04 4 O O3 0.40891(19) 0.0920(9) 0.66373(28) 1.0 Uiso 0.04 4 O O2 0.33942(24) 0.3547(11) 0.57445(35) 1.0 Uiso 0.04 4 C C20 0.45982(16) 0.2459(5) 0.65521(20) 1.0 Uiso 0.04 4 C C21 0.47526(30) 0.1638(14) 0.5816(5) 1.0 Uiso 0.04 4 O O5 0.5140(4) 0.2738(12) 0.5575(4) 1.0 Uiso 0.04 4 O O4 0.44673(30) -0.0670(11) 0.55405(29) 1.0 Uiso 0.04 4 H H2 0.06722 -0.32969 0.1643 1.0 Uiso 0.06 4 H H6 0.20979 0.21102 0.22694 1.0 Uiso 0.06 4 H H5 0.18509 0.31174 0.33796 1.0 Uiso 0.06 4 H H3 0.04273 -0.22823 0.27525 1.0 Uiso 0.06 4 H H13 0.05218 0.52851 0.47438 1.0 Uiso 0.06 4 H H14 0.0651 0.82618 0.57703 1.0 Uiso 0.06 4 H H16 0.23611 0.50879 0.68129 1.0 Uiso 0.06 4 H H17A 0.07531 0.92859 0.69654 1.0 Uiso 0.06 4 H H17B 0.12006 1.14578 0.74166 1.0 Uiso 0.06 4 H H17C 0.09958 1.14701 0.6546 1.0 Uiso 0.06 4 H H9C 0.23673 -0.02595 0.40094 1.0 Uiso 0.06 4 H H9A 0.27045 -0.19526 0.47109 1.0 Uiso 0.06 4 H H9B 0.20612 -0.28099 0.4197 1.0 Uiso 0.06 4 H H18A 0.29585 -0.16308 0.60338 1.0 Uiso 0.06 4 H H18B 0.28612 0.01594 0.66618 1.0 Uiso 0.06 4 H H20A 0.49496 0.21433 0.69739 1.0 Uiso 0.06 4 H H20B 0.44971 0.43017 0.65243 1.0 Uiso 0.06 4 H H4 0.45568 -0.11362 0.51621 1.0 Uiso 0.06 4 # If you change Z, be sure to change all 3 of the following _chemical_formula_sum 'C21 H18 Cl N O6' _chemical_formula_weight 415.83 _cell_formula_units_Z 4 # MOLECULAR GEOMETRY 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 C2 C1 1.4005(21) . 1_555 N C2 C3 1.3999(21) . 1_555 N C2 H2 0.9310(19) . 1_555 N C1 C2 1.4005(21) . 1_555 N C1 C6 1.4011(21) . 1_555 N C6 C1 1.4011(21) . 1_555 N C6 C5 1.4018(21) . 1_555 N C6 H6 0.9317(18) . 1_555 N C5 C6 1.4018(21) . 1_555 N C5 C4 1.4020(21) . 1_555 N C5 H5 0.9312(19) . 1_555 N C4 C5 1.4020(21) . 1_555 N C4 C3 1.3989(21) . 1_555 N C4 C7 1.4999(21) . 1_555 N C3 C2 1.3999(21) . 1_555 N C3 C4 1.3989(21) . 1_555 N C3 H3 0.9291(19) . 1_555 N C7 C4 1.4999(21) . 1_555 N C7 O1 1.2192(22) . 1_555 N C7 N1 1.4194(20) . 1_555 N O1 C7 1.2192(22) . 1_555 N N1 C7 1.4194(20) . 1_555 N N1 C12 1.3940(20) . 1_555 N N1 C8 1.4297(20) . 1_555 N C12 N1 1.3940(20) . 1_555 N C12 C11 1.3951(19) . 1_555 N C12 C13 1.3984(21) . 1_555 N C11 C12 1.3951(19) . 1_555 N C11 C10 1.4506(20) . 1_555 N C11 C16 1.4004(21) . 1_555 N C10 C11 1.4506(20) . 1_555 N C10 C8 1.3863(20) . 1_555 N C10 C18 1.5278(21) . 1_555 N C8 N1 1.4297(20) . 1_555 N C8 C10 1.3863(20) . 1_555 N C8 C9 1.4996(21) . 1_555 N C13 C12 1.3984(21) . 1_555 N C13 C14 1.3971(21) . 1_555 N C13 H13 0.9289(19) . 1_555 N C14 C13 1.3971(21) . 1_555 N C14 C15 1.3998(20) . 1_555 N C14 H14 0.9249(19) . 1_555 N C15 C14 1.3998(20) . 1_555 N C15 C16 1.4008(21) . 1_555 N C15 O6 1.3638(21) . 1_555 N C16 C11 1.4004(21) . 1_555 N C16 C15 1.4008(21) . 1_555 N C16 H16 0.9299(18) . 1_555 N O6 C15 1.3638(21) . 1_555 N O6 C17 1.3784(22) . 1_555 N C17 O6 1.3784(22) . 1_555 N C17 H17A 0.9271(21) . 1_555 N C17 H17B 0.9266(20) . 1_555 N C17 H17C 0.9283(21) . 1_555 N C9 C8 1.4996(21) . 1_555 N C9 H9C 0.9315(21) . 1_555 N C9 H9A 0.9301(20) . 1_555 N C9 H9B 0.9299(21) . 1_555 N C18 C10 1.5278(21) . 1_555 N C18 C19 1.5284(21) . 1_555 N C18 H18A 0.9323(21) . 1_555 N C18 H18B 0.9323(21) . 1_555 N C19 C18 1.5284(21) . 1_555 N C19 O3 1.3510(22) . 1_555 N C19 O2 1.2231(22) . 1_555 N O3 C19 1.3510(22) . 1_555 N O3 C20 1.4239(22) . 1_555 N O2 C19 1.2231(22) . 1_555 N C20 O3 1.4239(22) . 1_555 N C20 C21 1.5545(22) . 1_555 N C20 H20A 0.9294(21) . 1_555 N C20 H20B 0.9276(21) . 1_555 N C21 C20 1.5545(22) . 1_555 N C21 O5 1.2233(22) . 1_555 N C21 O4 1.3193(22) . 1_555 N O5 C21 1.2233(22) . 1_555 N O4 C21 1.3193(22) . 1_555 N O4 H4 0.8162(22) . 1_555 N 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 C1 C2 C3 120.02(14) 1_555 . 1_555 N C1 C2 H2 120.17(28) 1_555 . 1_555 N C3 C2 H2 119.82(30) 1_555 . 1_555 N C2 C1 C6 120.12(14) 1_555 . 1_555 N C2 C1 Cl1 119.90(16) 1_555 . 1_555 N C6 C1 Cl1 119.98(17) 1_555 . 1_555 N C1 C6 C5 119.76(13) 1_555 . 1_555 N C1 C6 H6 120.02(30) 1_555 . 1_555 N C5 C6 H6 120.21(32) 1_555 . 1_555 N C6 C5 C4 120.09(14) 1_555 . 1_555 N C6 C5 H5 119.78(32) 1_555 . 1_555 N C4 C5 H5 120.13(30) 1_555 . 1_555 N C5 C4 C3 119.98(14) 1_555 . 1_555 N C5 C4 C7 120.30(16) 1_555 . 1_555 N C3 C4 C7 119.71(17) 1_555 . 1_555 N C2 C3 C4 120.02(13) 1_555 . 1_555 N C2 C3 H3 120.21(30) 1_555 . 1_555 N C4 C3 H3 119.77(30) 1_555 . 1_555 N C4 C7 O1 118.17(18) 1_555 . 1_555 N C4 C7 N1 120.78(20) 1_555 . 1_555 N O1 C7 N1 118.00(21) 1_555 . 1_555 N C7 N1 C12 124.65(15) 1_555 . 1_555 N C7 N1 C8 127.12(17) 1_555 . 1_555 N C12 N1 C8 108.12(15) 1_555 . 1_555 N N1 C12 C11 108.66(15) 1_555 . 1_555 N N1 C12 C13 130.76(15) 1_555 . 1_555 N C11 C12 C13 120.28(14) 1_555 . 1_555 N C12 C11 C10 107.57(14) 1_555 . 1_555 N C12 C11 C16 119.90(13) 1_555 . 1_555 N C10 C11 C16 132.48(15) 1_555 . 1_555 N C11 C10 C8 107.36(14) 1_555 . 1_555 N C11 C10 C18 125.53(16) 1_555 . 1_555 N C8 C10 C18 125.73(16) 1_555 . 1_555 N N1 C8 C10 108.19(14) 1_555 . 1_555 N N1 C8 C9 125.37(15) 1_555 . 1_555 N C10 C8 C9 125.40(22) 1_555 . 1_555 N C12 C13 C14 119.83(13) 1_555 . 1_555 N C12 C13 H13 119.41(28) 1_555 . 1_555 N C14 C13 H13 120.73(30) 1_555 . 1_555 N C13 C14 C15 120.16(14) 1_555 . 1_555 N C13 C14 H14 119.58(29) 1_555 . 1_555 N C15 C14 H14 120.23(27) 1_555 . 1_555 N C14 C15 C16 119.83(14) 1_555 . 1_555 N C14 C15 O6 119.99(15) 1_555 . 1_555 N C16 C15 O6 120.18(16) 1_555 . 1_555 N C11 C16 C15 119.99(13) 1_555 . 1_555 N C11 C16 H16 119.61(25) 1_555 . 1_555 N C15 C16 H16 120.39(25) 1_555 . 1_555 N C15 O6 C17 117.03(17) 1_555 . 1_555 N O6 C17 H17A 108.69(24) 1_555 . 1_555 N O6 C17 H17B 108.85(25) 1_555 . 1_555 N O6 C17 H17C 109.47(25) 1_555 . 1_555 N H17A C17 H17B 110.02(24) 1_555 . 1_555 N H17A C17 H17C 109.87(24) 1_555 . 1_555 N H17B C17 H17C 109.91(24) 1_555 . 1_555 N C8 C9 H9C 109.0(4) 1_555 . 1_555 N C8 C9 H9A 109.80(21) 1_555 . 1_555 N C8 C9 H9B 109.91(35) 1_555 . 1_555 N H9C C9 H9A 109.33(23) 1_555 . 1_555 N H9C C9 H9B 109.35(22) 1_555 . 1_555 N H9A C9 H9B 109.46(23) 1_555 . 1_555 N C10 C18 C19 113.23(20) 1_555 . 1_555 N C10 C18 H18A 108.81(28) 1_555 . 1_555 N C10 C18 H18B 108.68(27) 1_555 . 1_555 N C19 C18 H18A 108.8(4) 1_555 . 1_555 N C19 C18 H18B 108.1(4) 1_555 . 1_555 N H18A C18 H18B 109.22(24) 1_555 . 1_555 N C18 C19 O3 124.28(20) 1_555 . 1_555 N C18 C19 O2 110.11(19) 1_555 . 1_555 N O3 C19 O2 124.09(31) 1_555 . 1_555 N C19 O3 C20 117.21(21) 1_555 . 1_555 N O3 C20 C21 111.78(21) 1_555 . 1_555 N O3 C20 H20A 109.0(4) 1_555 . 1_555 N O3 C20 H20B 109.1(4) 1_555 . 1_555 N C21 C20 H20A 108.4(6) 1_555 . 1_555 N C21 C20 H20B 108.83(35) 1_555 . 1_555 N H20A C20 H20B 109.73(24) 1_555 . 1_555 N C20 C21 O5 125.83(25) 1_555 . 1_555 N C20 C21 O4 109.78(27) 1_555 . 1_555 N O5 C21 O4 123.78(24) 1_555 . 1_555 N C21 O4 H4 110.1(4) 1_555 . 1_555 N C17 H17A H17B 34.98(13) 1_555 . 1_555 N C17 H17A H17C 35.09(14) 1_555 . 1_555 N H17B H17A H17C 59.9992(31) 1_555 . 1_555 N C17 H17B H17A 35.00(14) 1_555 . 1_555 N C17 H17B H17C 35.08(14) 1_555 . 1_555 N H17A H17B H17C 60.0001(19) 1_555 . 1_555 N C17 H17C H17A 35.04(14) 1_555 . 1_555 N C17 H17C H17B 35.01(13) 1_555 . 1_555 N H17A H17C H17B 60.0007(21) 1_555 . 1_555 N C9 H9C H9A 35.31(13) 1_555 . 1_555 N C9 H9C H9B 35.29(13) 1_555 . 1_555 N H9A H9C H9B 59.9993(27) 1_555 . 1_555 N C9 H9A H9C 35.37(14) 1_555 . 1_555 N C9 H9A H9B 35.26(13) 1_555 . 1_555 N H9C H9A H9B 60.0003(26) 1_555 . 1_555 N C9 H9B H9C 35.36(13) 1_555 . 1_555 N C9 H9B H9A 35.28(13) 1_555 . 1_555 N H9C H9B H9A 60.0005(21) 1_555 . 1_555 N C18 H18A H18B 35.39(14) 1_555 . 1_555 N C18 H18B H18A 35.39(14) 1_555 . 1_555 N C20 H20A H20B 35.10(14) 1_555 . 1_555 N C20 H20B H20A 35.17(14) 1_555 . 1_555 N # Powder diffraction data for histogram 1 #============================================================================== # 9. INSTRUMENT CHARACTERIZATION _exptl_special_details ; ? ; # if regions of the data are excluded, the reason(s) are supplied here: _pd_proc_info_excluded_regions ; ? ; # The following item is used to identify the equipment used to record # the powder pattern when the diffractogram was measured at a laboratory # other than the authors' home institution, e.g. when neutron or synchrotron # radiation is used. _pd_instr_location ; ? ; _pd_calibration_special_details # description of the method used # to calibrate the instrument ; ? ; _diffrn_ambient_temperature 293 _diffrn_source ? _diffrn_source_target ? _diffrn_source_type ? _diffrn_measurement_device_type ? _diffrn_detector ? _diffrn_detector_type ? # make or model of detector _pd_meas_scan_method ? # options are 'step', 'cont', # 'tof', 'fixed' or # 'disp' (= dispersive) _pd_meas_special_details ; ? ; # The following two items identify the program(s) used (if appropriate). _computing_data_collection ? _computing_data_reduction ? # Describe any processing performed on the data, prior to refinement. # For example: a manual Lp correction or a precomputed absorption correction _pd_proc_info_data_reduction ? # The following item is used for angular dispersive measurements only. _diffrn_radiation_monochromator ? # The following items are used to define the size of the instrument. # Not all distances are appropriate for all instrument types. _pd_instr_dist_src/mono ? _pd_instr_dist_mono/spec ? _pd_instr_dist_src/spec ? _pd_instr_dist_spec/anal ? _pd_instr_dist_anal/detc ? _pd_instr_dist_spec/detc ? # 10. Specimen size and mounting information # The next three fields give the specimen dimensions in mm. The equatorial # plane contains the incident and diffracted beam. _pd_spec_size_axial ? # perpendicular to # equatorial plane _pd_spec_size_equat ? # parallel to # scattering vector # in transmission _pd_spec_size_thick ? # parallel to # scattering vector # in reflection _pd_spec_mounting # This field should be # used to give details of the # container. ; ? ; _pd_spec_mount_mode ? # options are 'reflection' # or 'transmission' _pd_spec_shape ? # options are 'cylinder' # 'flat_sheet' or 'irregular' loop_ _atom_type_symbol _atom_type_number_in_cell _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_Cromer_Mann_a1 _atom_type_scat_Cromer_Mann_a2 _atom_type_scat_Cromer_Mann_a3 _atom_type_scat_Cromer_Mann_a4 _atom_type_scat_Cromer_Mann_b1 _atom_type_scat_Cromer_Mann_b2 _atom_type_scat_Cromer_Mann_b3 _atom_type_scat_Cromer_Mann_b4 _atom_type_scat_Cromer_Mann_c _atom_type_scat_source C 84.0 0.000 0.000 2.31000 20.8439 1.02000 10.2075 1.58860 0.56870 0.86500 51.6512 0.21560 International_Tables_Vol_C Cl 4.0 0.000 0.000 11.4604 0.01040 7.19640 1.16620 6.25560 18.5194 1.64550 47.7784 -9.5574 International_Tables_Vol_C O 24.0 0.000 0.000 3.04850 13.2771 2.28680 5.70110 1.54630 0.32390 0.86700 32.9089 0.25080 International_Tables_Vol_C N 4.0 0.000 0.000 12.2126 0.00570 3.13220 9.89330 2.01250 28.9975 1.16630 0.58260 -11.529 International_Tables_Vol_C H 72.0 0.000 0.000 0.49300 10.5109 0.32291 26.1257 0.14019 3.14236 0.04081 57.7997 0.00304 International_Tables_Vol_C _diffrn_radiation_probe x-ray _diffrn_radiation_polarisn_ratio 0.5 _diffrn_radiation_wavelength 1.5406 _diffrn_radiation_type ? _pd_proc_ls_prof_R_factor 0.0437 _pd_proc_ls_prof_wR_factor 0.0623 _pd_proc_ls_prof_wR_expected 0.0284 _refine_ls_R_Fsqd_factor 0.06165 _pd_proc_ls_background_function ; GSAS Background function number 1 with 36 terms. Shifted Chebyshev function of 1st kind 1: 794.142 2: -657.606 3: 371.969 4: -213.544 5: 166.299 6: -143.469 7: 70.6800 8: -5.35319 9: -11.3920 10: 33.8229 11: -47.4186 12: 35.3653 13: -3.06906 14: -21.9251 15: 20.9186 16: -7.89351 17: -2.34766 18: 12.1133 19: -6.55919 20: 3.39025 21: -7.21148 22: 3.35714 23: 7.73519 24: -15.0360 25: 8.72045 26: 5.14066 27: -8.68721 28: 6.06076 29: -0.724527 30: -6.39920 31: 10.0706 32: -8.68152 33: -0.444416 34: 11.4944 35: -5.40526 36: 2.00949 ; _exptl_absorpt_process_details ; GSAS Absorption/surface roughness correction: function number 0 No correction is applied. ; _exptl_absorpt_correction_T_min 1.00000 _exptl_absorpt_correction_T_max 1.00000 # Extinction correction _gsas_exptl_extinct_corr_T_min 1.00000 _gsas_exptl_extinct_corr_T_max 1.00000 _pd_proc_ls_profile_function ; CW Profile function number 2 with 18 terms Profile coefficients for Simpson's rule integration of pseudovoigt function C.J. Howard (1982). J. Appl. Cryst.,15,615-620. P. Thompson, D.E. Cox & J.B. Hastings (1987). J. Appl. Cryst.,20,79-83. #1(GU) = 1237.690 #2(GV) = -190.417 #3(GW) = 38.156 #4(LX) = 3.517 #5(LY) = 1.000 #6(trns) = 0.000 #7(asym) = 2.5327 #8(shft) = 3.6988 #9(GP) = 0.000 #10(stec)= 0.00 #11(ptec)= 0.00 #12(sfec)= 0.00 #13(L11) = 0.000 #14(L22) = 0.025 #15(L33) = 0.000 #16(L12) = 0.004 #17(L13) = 0.000 #18(L23) = 0.000 Peak tails are ignored where the intensity is below 0.0100 times the peak Aniso. broadening axis 0.0 0.0 1.0 ; _pd_proc_ls_peak_cutoff 0.01000 _pd_proc_info_datetime 2012-06-11T19:58:24 _pd_calc_method 'Rietveld Refinement' #---- raw/calc data loop ----- _pd_meas_2theta_range_min 5.0 _pd_meas_2theta_range_max 99.80305 _pd_meas_2theta_range_inc 0.0198 _pd_proc_2theta_range_min 5.0 _pd_proc_2theta_range_max 99.80305 _pd_proc_2theta_range_inc 0.0198 loop_ _pd_meas_counts_total _pd_proc_ls_weight _pd_proc_intensity_bkg_calc _pd_calc_intensity_total 2348.0 0.000426 2324.42871 2325.89990 2299.0 0.000435 2323.49878 2325.55078 2323.0 0.000430 2322.17603 2325.07300 2320.0 0.000431 2320.50684 2324.57983 2318.0 0.000431 2318.53955 2324.16406 2307.0 0.000433 2316.31470 2323.87549 2312.0 0.000433 2313.86914 2323.70508 2310.0 0.000433 2311.24023 2323.60791 2292.0 0.000436 2308.45874 2323.51245 2301.0 0.000435 2305.55151 2323.28198 2295.0 0.000436 2302.54517 2322.72510 2319.0 0.000431 2299.46313 2321.78027 2306.0 0.000434 2296.32666 2320.65601 2328.0 0.000430 2293.15381 2319.62305 2332.0 0.000429 2289.95972 2318.75366 2344.0 0.000427 2286.76025 2317.85938 2352.0 0.000425 2283.56860 2316.49780 2348.0 0.000426 2280.39258 2314.09424 2379.0 0.000420 2277.24438 2310.17749 2348.0 0.000426 2274.12964 2304.52100 2349.0 0.000426 2271.05688 2297.30591 2341.0 0.000427 2268.03125 2289.19507 2309.0 0.000433 2265.05566 2281.03809 2286.0 0.000437 2262.13428 2273.51074 2277.0 0.000439 2259.26855 2266.97217 2270.0 0.000441 2256.46021 2261.50073 2249.0 0.000445 2253.71045 2256.97485 2255.0 0.000443 2251.01807 2253.17896 2241.0 0.000446 2248.38379 2249.89453 2229.0 0.000449 2245.80469 2246.93750 2248.0 0.000445 2243.28101 2244.18750 2214.0 0.000452 2240.80884 2241.57104 2231.0 0.000448 2238.38672 2239.04590 2229.0 0.000449 2236.01123 2236.59229 2215.0 0.000451 2233.67773 2234.19653 2210.0 0.000452 2231.38599 2231.84985 2208.0 0.000453 2229.12988 2229.54956 2215.0 0.000451 2226.90649 2227.28760 2209.0 0.000453 2224.71240 2225.05957 2205.0 0.000454 2222.54224 2222.86011 2228.0 0.000449 2220.39355 2220.68555 2214.0 0.000452 2218.26099 2218.53052 2214.0 0.000452 2216.14185 2216.39038 2209.0 0.000453 2214.02954 2214.26025 2199.0 0.000455 2211.92261 2211.92358 2199.0 0.000455 2209.81567 2209.81689 2190.0 0.000457 2207.70605 2207.70605 2210.0 0.000452 2205.58838 2205.58813 2183.0 0.000458 2203.45825 2203.45923 2206.0 0.000453 2201.31592 2201.31567 2201.0 0.000454 2199.15283 2199.15234 2184.0 0.000458 2196.96899 2196.96851 2189.0 0.000457 2194.76074 2194.75977 2177.0 0.000459 2192.52393 2192.52222 2165.0 0.000462 2190.25562 2190.25391 2170.0 0.000461 2187.95337 2187.95288 2182.0 0.000458 2185.61597 2185.61499 2182.0 0.000458 2183.23950 2183.23804 2189.0 0.000457 2180.82202 2180.82007 2187.0 0.000457 2178.36108 2178.35864 2184.0 0.000458 2175.85474 2175.85229 2166.0 0.000462 2173.30127 2173.29980 2156.0 0.000464 2170.70068 2170.69800 2145.0 0.000466 2168.04956 2168.04614 2146.0 0.000466 2165.34668 2165.34351 2134.0 0.000469 2162.59229 2162.58960 2146.0 0.000466 2159.78467 2159.78247 2151.0 0.000465 2156.92358 2156.91943 2138.0 0.000468 2154.00757 2154.00513 2164.0 0.000462 2151.03662 2151.03491 2152.0 0.000465 2148.01025 2148.00806 2142.0 0.000467 2144.92944 2144.92676 2147.0 0.000466 2141.79248 2141.79077 2137.0 0.000468 2138.60107 2138.59912 2124.0 0.000471 2135.35522 2135.35205 2115.0 0.000473 2132.05396 2132.05029 2134.0 0.000469 2128.69775 2128.69482 2114.0 0.000473 2125.28906 2125.28711 2118.0 0.000472 2121.82764 2121.82568 2133.0 0.000469 2118.31470 2118.31226 2115.0 0.000473 2114.75049 2114.74902 2129.0 0.000470 2111.13574 2111.13574 2116.0 0.000473 2107.47388 2107.47339 2134.0 0.000469 2103.76367 2103.76318 2102.0 0.000476 2100.00708 2100.00684 2120.0 0.000472 2096.20630 2096.20532 2101.0 0.000476 2092.36133 2092.36133 2109.0 0.000474 2088.47412 2088.47485 2098.0 0.000477 2084.54712 2084.54858 2104.0 0.000475 2080.58179 2080.58203 2101.0 0.000476 2076.57886 2076.57886 2097.0 0.000477 2072.54004 2072.54126 2095.0 0.000477 2068.46851 2068.46973 2071.0 0.000483 2064.36328 2064.36475 2082.0 0.000480 2060.22803 2062.50439 2061.0 0.000485 2056.06543 2058.52856 2062.0 0.000485 2051.87573 2054.55078 2066.0 0.000484 2047.66162 2050.57813 2053.0 0.000487 2043.42334 2046.61609 2059.0 0.000486 2039.16516 2042.67542 2047.0 0.000489 2034.88757 2038.76807 2044.0 0.000489 2030.59167 2034.91089 2060.0 0.000485 2026.28137 2031.13367 2045.0 0.000489 2021.95642 2027.49084 2054.0 0.000487 2017.61951 2024.08374 2042.0 0.000490 2013.27246 2021.09631 2028.0 0.000493 2008.91724 2018.84033 2045.0 0.000489 2004.55542 2017.78931 2001.0 0.000500 2000.18860 2018.58997 2027.0 0.000493 1995.81848 2022.03259 2035.0 0.000491 1991.44666 2028.98645 2037.0 0.000491 1987.07544 2040.30884 2052.0 0.000487 1982.70544 2056.68506 2054.0 0.000487 1978.33875 2078.39502 2066.0 0.000484 1973.97717 2105.22974 2076.0 0.000482 1969.62170 2136.78174 2081.0 0.000481 1965.27368 2172.17065 2114.0 0.000473 1960.93518 2208.80957 2138.0 0.000468 1956.60693 2242.13403 2166.0 0.000462 1952.29016 2267.88501 2217.0 0.000451 1947.98706 2283.94800 2274.0 0.000440 1943.69775 2288.30933 2271.0 0.000440 1939.42407 2277.54688 2281.0 0.000438 1935.16650 2248.78394 2257.0 0.000443 1930.92773 2203.02710 2212.0 0.000452 1926.70618 2146.77173 2147.0 0.000466 1922.50452 2088.90332 2082.0 0.000480 1918.32349 2036.62097 2063.0 0.000485 1914.16357 1993.93091 2021.0 0.000495 1910.02600 1961.82288 2008.0 0.000498 1905.91138 1939.11792 2001.0 0.000500 1901.82019 1923.56140 1988.0 0.000503 1897.75317 1912.79004 1973.0 0.000507 1893.71094 1921.53247 1978.0 0.000506 1889.69446 1916.57849 1966.0 0.000509 1885.70361 1912.64307 1963.0 0.000509 1881.73865 1909.36328 1970.0 0.000508 1877.80017 1906.58826 1970.0 0.000508 1873.88916 1904.27551 1967.0 0.000508 1870.00549 1902.44116 1950.0 0.000513 1866.14917 1901.14441 1949.0 0.000513 1862.32092 1900.49902 1945.0 0.000514 1858.52026 1900.71692 1947.0 0.000514 1854.74744 1902.20764 1950.0 0.000513 1851.00256 1905.76770 1974.0 0.000507 1847.28577 1912.87671 2005.0 0.000499 1843.59680 1926.08386 2014.0 0.000497 1839.93604 1949.38904 2050.0 0.000488 1836.30298 1986.43726 2078.0 0.000481 1832.69727 2048.66821 2131.0 0.000469 1829.11938 2142.26514 2170.0 0.000461 1825.56860 2275.70532 2278.0 0.000439 1822.04443 2455.77612 2383.0 0.000420 1818.54736 2684.90747 2540.0 0.000394 1815.07581 2959.92261 2726.0 0.000367 1811.63110 3273.57324 2999.0 0.0003334 1808.21106 3611.45142 3310.0 0.0003021 1804.81653 3942.90942 3688.0 0.0002711 1801.44678 4224.96338 4099.0 0.0002440 1798.10071 4423.20264 4508.0 0.0002218 1794.77783 4515.57666 4756.0 0.0002103 1791.47852 4477.94629 4786.0 0.0002089 1788.20178 4290.39551 4469.0 0.0002238 1784.94592 3962.47876 4040.0 0.0002475 1781.71252 3546.66919 3435.0 0.0002911 1778.49927 3115.10498 2837.0 0.000352 1775.30566 2726.56934 2352.0 0.000425 1772.13220 2413.89136 2076.0 0.000482 1768.97668 2185.48706 1938.0 0.000516 1765.83948 2032.28601 1856.0 0.000539 1762.71875 1936.44885 1852.0 0.000540 1759.61511 1879.09460 1838.0 0.000544 1756.52771 1844.90002 1825.0 0.000548 1753.45471 1823.49365 1830.0 0.000546 1750.39612 1808.78699 1821.0 0.000549 1747.35107 1797.58496 1807.0 0.000553 1744.31860 1788.33618 1798.0 0.000556 1741.29810 1780.30823 1783.0 0.000561 1738.28955 1773.13770 1780.0 0.000562 1735.29053 1766.61755 1779.0 0.000562 1732.30115 1760.61731 1763.0 0.000567 1729.32104 1755.03943 1771.0 0.000565 1726.34924 1749.81042 1762.0 0.000568 1723.38477 1744.87354 1753.0 0.000570 1720.42676 1740.18164 1744.0 0.000573 1717.47449 1735.69678 1742.0 0.000574 1714.52722 1731.38867 1741.0 0.000574 1711.58411 1711.58777 1737.0 0.000576 1708.64539 1708.64819 1717.0 0.000582 1705.70911 1705.71179 1738.0 0.000575 1702.77454 1702.77722 1727.0 0.000579 1699.84143 1699.84424 1732.0 0.000577 1696.90881 1696.91199 1725.0 0.000580 1693.97681 1693.97913 1737.0 0.000576 1691.04395 1691.04565 1742.0 0.000574 1688.10962 1688.11121 1724.0 0.000580 1685.17249 1685.17456 1715.0 0.000583 1682.23303 1682.23511 1719.0 0.000582 1679.29053 1679.29199 1698.0 0.000589 1676.34399 1676.34558 1700.0 0.000588 1673.39246 1673.39429 1703.0 0.000587 1670.43640 1670.43799 1687.0 0.000593 1667.47437 1667.47559 1695.0 0.000590 1664.50586 1664.50745 1697.0 0.000589 1661.53052 1661.53162 1686.0 0.000593 1658.54785 1658.54895 1682.0 0.000595 1655.55725 1655.55859 1660.0 0.000602 1652.55823 1652.56006 1670.0 0.000599 1649.55115 1649.55188 1664.0 0.000601 1646.53430 1646.53540 1637.0 0.000611 1643.50732 1643.50854 1636.0 0.000611 1640.47058 1640.47180 1642.0 0.000609 1637.42346 1637.42468 1634.0 0.000612 1634.36511 1634.36621 1628.0 0.000614 1631.29626 1631.29712 1642.0 0.000609 1628.21533 1628.21667 1640.0 0.000610 1625.12256 1625.12341 1632.0 0.000613 1622.01746 1622.01904 1620.0 0.000617 1618.90051 1618.90112 1615.0 0.000619 1615.77051 1615.77197 1613.0 0.000620 1612.62744 1612.62952 1582.0 0.000632 1609.47253 1609.47339 1601.0 0.000625 1606.30286 1606.30493 1595.0 0.000627 1603.12061 1603.12244 1590.0 0.000629 1599.92456 1599.92639 1577.0 0.000634 1596.71436 1596.71667 1583.0 0.000632 1593.49097 1593.49329 1574.0 0.000635 1590.25330 1590.25549 1561.0 0.000641 1587.00183 1587.00452 1575.0 0.000635 1583.73608 1605.59082 1564.0 0.000639 1580.45679 1604.07019 1572.0 0.000636 1577.16333 1602.75745 1574.0 0.000635 1573.85547 1601.69055 1578.0 0.000634 1570.53369 1600.91797 1574.0 0.000635 1567.19849 1600.49695 1573.0 0.000636 1563.84900 1600.50537 1581.0 0.000633 1560.48584 1601.04028 1590.0 0.000629 1557.10901 1602.23950 1591.0 0.000629 1553.71851 1604.31714 1601.0 0.000625 1550.31409 1607.64453 1625.0 0.000615 1546.89709 1612.92114 1627.0 0.000615 1543.46680 1621.49805 1666.0 0.000600 1540.02368 1635.90710 1705.0 0.000587 1536.56726 1660.60156 1749.0 0.000572 1533.09924 1702.78711 1848.0 0.000541 1529.61804 1773.07678 1946.0 0.000514 1526.12573 1885.55920 2091.0 0.000478 1522.62073 2056.78223 2287.0 0.000437 1519.10486 2303.03638 2527.0 0.000396 1515.57788 2635.46899 2858.0 0.0003499 1512.03931 3053.72656 3204.0 0.0003121 1508.49097 3541.85278 3672.0 0.0002723 1504.93152 4067.14331 4222.0 0.0002369 1501.36230 4574.30762 4775.0 0.0002094 1497.78394 4987.46094 5294.0 0.0001889 1494.19641 5237.06885 5653.0 0.0001769 1490.59937 5276.76318 5705.0 0.0001753 1486.99451 5080.26953 5386.0 0.0001857 1483.38086 4660.08984 4780.0 0.0002092 1479.75952 4088.94043 4004.0 0.0002498 1476.13098 3473.93286 3181.0 0.0003144 1472.49597 2907.39429 2489.0 0.000402 1468.85388 2443.62646 1990.0 0.000503 1465.20642 2099.92432 1727.0 0.000579 1461.55298 1866.48682 1573.0 0.000636 1457.89380 1720.75964 1500.0 0.000667 1454.23096 1632.54285 1469.0 0.000681 1450.56250 1580.49304 1456.0 0.000687 1446.89087 1548.72791 1441.0 0.000694 1443.21582 1527.66492 1441.0 0.000694 1439.53760 1512.18066 1428.0 0.000700 1435.85718 1499.75146 1426.0 0.000701 1432.17419 1489.18982 1426.0 0.000701 1428.49060 1479.92505 1426.0 0.000701 1424.80469 1471.65222 1424.0 0.000702 1421.11877 1464.20154 1429.0 0.000700 1417.43164 1457.47925 1413.0 0.000708 1413.74597 1451.48035 1423.0 0.000703 1410.06091 1446.30249 1425.0 0.000702 1406.37720 1442.20386 1414.0 0.000707 1402.69470 1439.63013 1413.0 0.000708 1399.01416 1439.22058 1434.0 0.000697 1395.33691 1441.75061 1440.0 0.000694 1391.66248 1428.27344 1450.0 0.000690 1387.99133 1440.38306 1458.0 0.000686 1384.32434 1457.43994 1482.0 0.000675 1380.66187 1479.77637 1481.0 0.000675 1377.00476 1507.24756 1525.0 0.000656 1373.35217 1539.31677 1531.0 0.000653 1369.70532 1574.96289 1561.0 0.000641 1366.06445 1611.24438 1600.0 0.000625 1362.43140 1641.58557 1623.0 0.000616 1358.80457 1656.48438 1647.0 0.000607 1355.18579 1648.14783 1659.0 0.000603 1351.57422 1616.33203 1642.0 0.000609 1347.97156 1568.32251 1638.0 0.000611 1344.37756 1514.24133 1625.0 0.000615 1340.79248 1462.91235 1589.0 0.000629 1337.21741 1419.86987 1547.0 0.000646 1333.65149 1387.07971 1527.0 0.000655 1330.09595 1363.85620 1489.0 0.000672 1326.55127 1348.09375 1434.0 0.000697 1323.01831 1337.41589 1415.0 0.000707 1319.49536 1329.83325 1380.0 0.000725 1315.98462 1323.98010 1363.0 0.000734 1312.48645 1319.03882 1359.0 0.000736 1308.99976 1314.57471 1342.0 0.000745 1305.52661 1310.37561 1353.0 0.000739 1302.06543 1306.34021 1327.0 0.000754 1298.61829 1302.42102 1338.0 0.000747 1295.18384 1298.59045 1322.0 0.000756 1291.76440 1294.83350 1320.0 0.000758 1288.35815 1288.37939 1305.0 0.000766 1284.96753 1335.45789 1305.0 0.000766 1281.59045 1336.03406 1313.0 0.000762 1278.22827 1337.10901 1303.0 0.000767 1274.88123 1338.76318 1292.0 0.000774 1271.54993 1341.09875 1317.0 0.000759 1268.23315 1344.23767 1307.0 0.000765 1264.93323 1348.33569 1325.0 0.000755 1261.64880 1353.58887 1343.0 0.000745 1258.38000 1360.26257 1358.0 0.000736 1255.12805 1368.73706 1398.0 0.000715 1251.89282 1379.63770 1446.0 0.000692 1248.67310 1394.10962 1493.0 0.000670 1245.47144 1414.38110 1572.0 0.000636 1242.28503 1444.78809 1688.0 0.000592 1239.11646 1493.25488 1815.0 0.000551 1235.96460 1573.06250 2029.0 0.000493 1232.83044 1704.09875 2243.0 0.000446 1229.71301 1912.87830 2584.0 0.000387 1226.61279 2230.96240 2955.0 0.0003384 1223.53052 2691.74219 3441.0 0.0002906 1220.46497 3326.96021 4079.0 0.0002452 1217.41724 4159.42236 4835.0 0.0002068 1214.38672 5190.95264 5819.0 0.0001719 1211.37500 6390.65674 6977.0 0.0001433 1208.37866 7698.41602 8236.0 0.0001214 1205.40112 9010.52734 9577.0 0.0001044 1202.44104 10135.27734 10525.0 0.0000950 1199.49854 10789.77344 10905.0 0.0000917 1196.57336 10718.06934 10419.0 0.0000960 1193.66492 9880.65137 9190.0 0.0001088 1190.77502 8489.64746 7485.0 0.0001336 1187.90186 6867.38623 5571.0 0.0001795 1185.04602 5305.80566 3865.0 0.0002587 1182.20691 3993.77466 2594.0 0.000386 1179.38538 3007.59570 1889.0 0.000529 1176.58081 2334.01099 1532.0 0.000653 1173.79321 1909.82544 1366.0 0.000732 1171.02283 1658.67749 1281.0 0.000781 1168.26843 1514.43970 1247.0 0.000802 1165.53113 1430.46411 1237.0 0.000808 1162.80969 1378.30579 1215.0 0.000823 1160.10522 1342.59387 1207.0 0.000829 1157.41663 1315.69348 1200.0 0.000833 1154.74414 1293.99792 1197.0 0.000835 1152.08752 1275.76257 1200.0 0.000833 1149.44666 1260.06604 1175.0 0.000851 1146.82092 1246.35229 1192.0 0.000839 1144.21045 1144.22278 1180.0 0.000847 1141.61487 1141.62769 1165.0 0.000858 1139.03503 1139.04675 1174.0 0.000852 1136.46948 1136.48083 1158.0 0.000864 1133.91870 1133.92981 1167.0 0.000857 1131.38171 1131.39270 1162.0 0.000861 1128.85938 1128.87012 1162.0 0.000861 1126.35083 1126.36047 1165.0 0.000858 1123.85620 1123.86523 1154.0 0.000867 1121.37366 1121.38318 1151.0 0.000869 1118.90588 1118.91528 1146.0 0.000873 1116.45032 1116.45935 1135.0 0.000881 1114.00769 1114.01611 1140.0 0.000877 1111.57788 1111.58569 1119.0 0.000894 1109.15942 1109.16687 1132.0 0.000883 1106.75378 1106.76099 1112.0 0.000899 1104.35889 1104.36536 1116.0 0.000896 1101.97607 1101.98267 1116.0 0.000896 1099.60400 1099.61023 1119.0 0.000894 1097.24316 1097.24939 1122.0 0.000891 1094.89282 1094.89844 1121.0 0.000892 1092.55273 1092.55823 1129.0 0.000886 1090.22375 1090.22815 1121.0 0.000892 1087.90393 1087.90784 1119.0 0.000894 1085.59326 1085.59729 1120.0 0.000893 1083.29199 1083.29565 1110.0 0.000901 1081.00024 1081.00354 1115.0 0.000897 1078.71631 1078.71960 1096.0 0.000912 1076.44202 1076.44434 1093.0 0.000915 1074.17529 1074.17725 1093.0 0.000915 1071.91675 1071.91858 1078.0 0.000928 1069.66504 1069.66724 1064.0 0.000940 1067.42163 1067.42297 1065.0 0.000939 1065.18494 1065.18567 1057.0 0.000946 1062.95471 1062.95569 1056.0 0.000947 1060.73181 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718.47247 4382.28955 2818.0 0.000355 718.22784 3110.80396 2043.0 0.000489 718.01288 2266.85425 1583.0 0.000632 717.82684 1744.89734 1335.0 0.000749 717.67072 1439.88416 1138.0 0.000879 717.54364 1269.53015 1110.0 0.000901 717.44617 1179.63586 1118.0 0.000894 717.37811 1140.49255 1150.0 0.000870 717.33923 1139.72974 1188.0 0.000842 717.32971 1173.91833 1271.0 0.000787 717.35004 1249.62708 1380.0 0.000725 717.39917 1368.38403 1490.0 0.000671 717.47778 1528.84363 1656.0 0.000604 717.58521 1720.86414 1838.0 0.000544 717.72198 1923.34692 2007.0 0.000498 717.88831 2105.54004 2141.0 0.000467 718.08319 2235.28711 2221.0 0.000450 718.30713 2278.00146 2192.0 0.000456 718.55981 2214.62671 2065.0 0.000484 718.84143 2055.60986 1867.0 0.000536 719.15204 1836.61511 1598.0 0.000626 719.49097 1518.86279 1355.0 0.000738 719.85815 1303.22986 1141.0 0.000876 720.25391 1123.67456 974.0 0.001027 720.67804 987.91052 861.0 0.001161 721.13049 893.71527 810.0 0.001235 721.61066 833.11945 765.0 0.001307 722.11865 796.47998 741.0 0.001350 722.65436 775.25140 721.0 0.001387 723.21765 763.10657 721.0 0.001387 723.80835 755.98474 714.0 0.001401 724.42615 751.54846 705.0 0.001418 725.07098 748.57068 724.0 0.001381 725.74274 746.44135 704.0 0.001420 726.44104 744.86273 728.0 0.001374 727.16602 743.68158 717.0 0.001395 727.91736 742.81067 709.0 0.001410 728.69482 742.19226 702.0 0.001425 729.49780 741.78571 692.0 0.001445 730.32660 741.55908 685.0 0.001460 731.18079 741.48706 680.0 0.001471 732.06012 741.54895 676.0 0.001479 732.96454 741.72882 691.0 0.001447 733.89337 742.01239 683.0 0.001464 734.84662 734.84576 701.0 0.001427 735.82471 735.82306 695.0 0.001439 736.82635 736.82422 696.0 0.001437 737.85168 737.84918 691.0 0.001447 738.90045 738.89734 699.0 0.001431 739.97260 739.96863 693.0 0.001443 741.06714 741.06293 697.0 0.001435 742.18463 742.17981 700.0 0.001429 743.32410 743.31903 698.0 0.001433 744.48584 744.48035 707.0 0.001414 745.66907 745.66284 701.0 0.001427 746.87384 746.86707 705.0 0.001418 748.09998 748.09265 703.0 0.001422 749.34662 749.33850 709.0 0.001410 750.61377 750.60541 714.0 0.001401 751.90100 751.89197 719.0 0.001391 753.20789 758.47675 729.0 0.001372 754.53455 760.10461 731.0 0.001368 755.88013 761.77753 749.0 0.001335 757.24469 763.49939 763.0 0.001311 758.62769 765.27283 771.0 0.001297 760.02869 767.10168 799.0 0.001252 761.44745 768.99109 825.0 0.001212 762.88385 770.94592 853.0 0.001172 764.33710 772.97278 883.0 0.001133 765.80695 775.07916 909.0 0.001100 767.29346 777.27454 951.0 0.001052 768.79572 779.56897 975.0 0.001026 770.31378 798.33203 1025.0 0.000976 771.84668 801.80682 1042.0 0.000960 773.39465 805.51367 1078.0 0.000928 774.95734 809.48676 1097.0 0.000912 776.53387 813.77136 1100.0 0.000909 778.12378 937.64301 1091.0 0.000917 779.72772 949.56427 1058.0 0.000945 781.34406 962.66180 1026.0 0.000975 782.97296 977.20007 1004.0 0.000996 784.61432 993.58301 962.0 0.001040 786.26727 1012.41577 954.0 0.001048 787.93176 1034.62585 975.0 0.001026 789.60675 1061.56311 979.0 0.001021 791.29291 1095.12732 1038.0 0.000963 792.98889 1137.77771 1082.0 0.000924 794.69452 1192.45715 1163.0 0.000860 796.40979 1262.27075 1247.0 0.000802 798.13373 1349.87793 1354.0 0.000739 799.86633 1456.73877 1501.0 0.000666 801.60718 1582.06775 1666.0 0.000600 803.35571 1722.10669 1861.0 0.000537 805.11139 1869.85657 2067.0 0.000484 806.87360 2016.19958 2333.0 0.000429 808.64331 2151.94116 2573.0 0.000389 810.41815 2270.75317 2700.0 0.000370 812.19940 2375.45117 2759.0 0.000362 813.98566 2484.77319 2795.0 0.000358 815.77673 2633.96729 3013.0 0.0003319 817.57208 2868.72461 3275.0 0.0003053 819.37177 3239.73462 3872.0 0.0002583 821.17499 3799.30322 4584.0 0.0002182 822.98132 4598.08203 5641.0 0.0001773 824.79059 5679.72656 6974.0 0.0001434 826.60205 7071.71191 8682.0 0.0001152 828.41577 8776.55176 10777.0 0.0000928 830.23083 10757.17383 12853.0 0.0000778 832.04742 12924.78320 15038.0 0.0000665 833.86426 15136.13281 17070.0 0.0000586 835.68201 17201.92578 18723.0 0.0000534 837.49933 18897.81445 19921.0 0.0000502 839.31610 19968.48438 20117.0 0.0000497 841.13226 20162.41602 19330.0 0.0000517 842.94690 19339.66211 17474.0 0.0000572 844.76031 17599.99609 15169.0 0.0000659 846.57172 15259.51465 12522.0 0.0000799 848.38043 12692.75000 9819.0 0.0001018 850.18610 10206.70215 7820.0 0.0001279 851.98920 7999.55322 5905.0 0.0001693 853.78815 6172.00977 4437.0 0.0002254 855.58295 4746.41748 3488.0 0.0002867 857.37396 3691.14722 2740.0 0.000365 859.15985 2944.26343 2263.0 0.000442 860.94098 2433.32129 1918.0 0.000521 862.71619 2091.00195 1723.0 0.000580 864.48566 1866.37329 1635.0 0.000612 866.24915 1743.15271 1559.0 0.000641 868.00562 1654.82410 1474.0 0.000678 869.75500 1584.30457 1444.0 0.000693 871.49762 1536.96375 1416.0 0.000706 873.23206 1507.20093 1387.0 0.000721 874.95825 1485.67212 1389.0 0.000720 876.67670 1479.12000 1370.0 0.000730 878.38568 1477.44873 1439.0 0.000695 880.08612 1475.76062 1488.0 0.000672 881.77673 1469.41614 1496.0 0.000668 883.45770 1455.12329 1494.0 0.000669 885.12872 1432.55908 1453.0 0.000688 886.78906 1404.97461 1395.0 0.000717 888.43854 1377.72424 1345.0 0.000743 890.07721 1356.45007 1305.0 0.000766 891.70428 1346.13013 1285.0 0.000778 893.31964 1350.89148 1325.0 0.000755 894.92310 1358.02136 1380.0 0.000725 896.51398 1403.08850 1462.0 0.000684 898.09192 1470.94531 1573.0 0.000636 899.65747 1562.21375 1711.0 0.000584 901.20929 1675.59619 1825.0 0.000548 902.74799 1689.21484 2002.0 0.000500 904.27252 1841.22876 2147.0 0.000466 905.78326 2002.32593 2337.0 0.000428 907.27905 2171.57422 2538.0 0.000394 908.76068 2354.34180 2761.0 0.000362 910.22729 2566.41479 3052.0 0.0003277 911.67877 2836.36938 3373.0 0.0002965 913.11444 3199.05249 3788.0 0.0002640 914.53442 3682.40845 4297.0 0.0002327 915.93890 4295.27197 4895.0 0.0002043 917.32690 5031.42969 5535.0 0.0001807 918.69867 5820.64258 6232.0 0.0001605 920.05341 6568.09277 6851.0 0.0001460 921.39148 7174.86035 7310.0 0.0001368 922.71240 7527.35938 7568.0 0.0001321 924.01569 7539.50928 7435.0 0.0001345 925.30206 7196.52881 7016.0 0.0001425 926.57031 6563.07227 6277.0 0.0001593 927.82080 5755.77197 5361.0 0.0001865 929.05237 4895.14453 4354.0 0.0002297 930.26654 4074.89722 3452.0 0.0002897 931.46198 3355.00684 2714.0 0.000368 932.63824 2764.74927 2151.0 0.000465 933.79590 2309.66724 1798.0 0.000556 934.93427 1980.09937 1611.0 0.000621 936.05389 1758.68311 1528.0 0.000654 937.15356 1627.72290 1506.0 0.000664 938.23413 1573.89709 1588.0 0.000630 939.29474 1590.68469 1691.0 0.000591 940.33545 1677.81458 1832.0 0.000546 941.35645 1838.18481 2028.0 0.000493 942.35712 2072.75220 2267.0 0.000441 943.33771 2381.13965 2529.0 0.000395 944.29785 2730.39233 2812.0 0.000356 945.23761 3090.95825 3119.0 0.0003206 946.15674 3415.11646 3357.0 0.0002979 947.05536 3649.01978 3536.0 0.0002828 947.93250 3757.58325 3610.0 0.0002770 948.78949 3723.48486 3546.0 0.0002820 949.62500 3574.00464 3420.0 0.0002924 950.43970 3367.46362 3229.0 0.0003097 951.23352 3166.83984 3079.0 0.0003248 952.00568 3022.80981 2970.0 0.0003367 952.75677 2950.79468 2960.0 0.0003378 953.48621 2949.30884 3001.0 0.0003332 954.19470 3029.84253 3084.0 0.0003243 954.88153 3075.51709 3140.0 0.0003185 955.54700 3079.92529 3128.0 0.0003197 956.19098 3012.69824 3035.0 0.0003295 956.81335 2870.31470 2802.0 0.000357 957.41406 2645.33618 2560.0 0.000391 957.99310 2420.41333 2277.0 0.000439 958.55066 2228.36279 1974.0 0.000507 959.08643 2075.32349 1794.0 0.000557 959.60065 1972.61804 1675.0 0.000597 960.09314 1920.15417 1622.0 0.000617 960.56415 1907.81042 1659.0 0.000603 961.01343 1918.39099 1727.0 0.000579 961.44110 1931.47522 1806.0 0.000554 961.84680 1927.91736 1881.0 0.000532 962.23163 1895.33936 1980.0 0.000505 962.59448 1832.88867 2019.0 0.000495 962.93591 1750.19446 2070.0 0.000483 963.25568 1661.32349 2073.0 0.000482 963.55396 1566.01453 2096.0 0.000477 963.83142 1503.27368 2116.0 0.000473 964.08710 1466.93616 2124.0 0.000471 964.32172 1469.41943 2177.0 0.000459 964.53510 1508.77576 2285.0 0.000438 964.72705 1599.36731 2416.0 0.000414 964.89825 1754.71521 2639.0 0.000379 965.04852 1991.26709 2900.0 0.0003448 965.17780 2327.08716 3256.0 0.0003071 965.28632 2777.57886 3664.0 0.0002729 965.37421 3350.38354 4177.0 0.0002394 965.44135 4037.48779 4736.0 0.0002111 965.48785 4841.50586 5333.0 0.0001875 965.51447 5645.74658 5908.0 0.0001693 965.52039 6399.90381 6507.0 0.0001537 965.50616 7007.87256 6828.0 0.0001465 965.47192 7371.91309 7027.0 0.0001423 965.41785 7415.82910 6910.0 0.0001447 965.34406 7117.22559 6492.0 0.0001540 965.25031 6519.98975 5830.0 0.0001715 965.13739 5773.39600 5021.0 0.0001992 965.00464 4942.76660 4138.0 0.0002417 964.85297 4135.50146 3375.0 0.0002963 964.68219 3426.93457 2710.0 0.000369 964.49213 2842.00830 2273.0 0.000440 964.28375 2389.49072 1957.0 0.000511 964.05658 2060.56445 1827.0 0.000547 963.81097 1836.96472 1761.0 0.000568 963.54694 1696.97327 1766.0 0.000566 963.26501 1620.66809 1808.0 0.000553 962.96509 1592.26501 1863.0 0.000537 962.64716 1601.17407 1927.0 0.000519 962.31195 1697.28772 2001.0 0.000500 961.95923 1771.44836 2089.0 0.000479 961.58948 1876.01343 2201.0 0.000454 961.20245 2012.98621 2322.0 0.000431 960.79877 2185.39160 2521.0 0.000397 960.37836 2397.92529 2725.0 0.000367 959.94165 2657.35620 2999.0 0.0003334 959.48877 2973.68945 3340.0 0.0002994 959.02002 3360.20288 3731.0 0.0002680 958.53522 3832.71802 4235.0 0.0002361 958.03473 4404.03809 4831.0 0.0002070 957.51923 5072.08789 5464.0 0.0001830 956.98846 5811.19336 6230.0 0.0001605 956.44250 6568.38965 6980.0 0.0001433 955.88184 7271.85791 7723.0 0.0001295 955.30713 7849.38574 8341.0 0.0001199 954.71796 8243.20898 8900.0 0.0001124 954.11475 8458.55469 9261.0 0.0001080 953.49799 8584.94922 9573.0 0.0001045 952.86713 8753.94336 9858.0 0.0001014 952.22363 9097.20313 10219.0 0.0000979 951.56641 9657.03711 10813.0 0.0000925 950.89697 10512.12402 11466.0 0.0000872 950.21442 11536.15430 12294.0 0.0000813 949.51971 12562.34277 13127.0 0.0000762 948.81299 13378.75684 13620.0 0.0000734 948.09430 13781.38867 13765.0 0.0000726 947.36414 13616.71289 13270.0 0.0000754 946.62238 12837.76172 12161.0 0.0000822 945.86993 11530.86914 10557.0 0.0000947 945.10638 9890.10156 8563.0 0.0001168 944.33221 8142.02393 6624.0 0.0001510 943.54767 6478.51025 4838.0 0.0002067 942.75330 5031.86426 3443.0 0.0002904 941.94885 3866.69165 2436.0 0.000411 941.13507 2990.80444 1839.0 0.000544 940.31177 2372.48584 1477.0 0.000677 939.47943 1959.23865 1270.0 0.000787 938.63818 1695.93579 1175.0 0.000851 937.78857 1534.66284 1119.0 0.000894 936.93091 1439.99109 1099.0 0.000910 936.06494 1388.73389 1093.0 0.000915 935.19141 1374.55847 1130.0 0.000885 934.31055 1372.47571 1171.0 0.000854 933.42206 1397.28528 1227.0 0.000815 932.52716 1442.03931 1294.0 0.000773 931.62524 1504.99158 1385.0 0.000722 930.71698 1582.31189 1498.0 0.000668 929.80225 1667.23254 1602.0 0.000624 928.88226 1749.69971 1713.0 0.000584 927.95624 1817.27063 1848.0 0.000541 927.02502 1857.32654 1926.0 0.000519 926.08881 1828.74182 1985.0 0.000504 925.14752 1794.53296 1998.0 0.000501 924.20203 1726.11584 1934.0 0.000517 923.25183 1634.40967 1834.0 0.000545 922.29767 1533.35071 1681.0 0.000595 921.34021 1436.67993 1560.0 0.000641 920.37872 1356.27454 1408.0 0.000710 919.41449 1301.53003 1328.0 0.000753 918.44678 1240.37610 1300.0 0.000769 917.47650 1260.43469 1306.0 0.000766 916.50385 1319.90857 1353.0 0.000739 915.52905 1421.01416 1442.0 0.000693 914.55176 1582.20569 1544.0 0.000648 913.57343 1736.16418 1687.0 0.000593 912.59320 1894.78015 1813.0 0.000552 911.61237 2036.26099 1962.0 0.000510 910.63037 2137.42188 2092.0 0.000478 909.64716 2181.73926 2131.0 0.000469 908.66388 2154.40967 2124.0 0.000471 907.68048 2064.90552 2057.0 0.000486 906.69745 1933.45007 1906.0 0.000525 905.71411 1785.54126 1775.0 0.000563 904.73175 1645.33130 1651.0 0.000606 903.74976 1532.18884 1545.0 0.000647 902.76886 1460.25977 1540.0 0.000649 901.78986 1438.92053 1558.0 0.000642 900.81183 1473.92859 1640.0 0.000610 899.83551 1568.23193 1762.0 0.000568 898.86127 1722.04041 1927.0 0.000519 897.88940 1931.68860 2128.0 0.000470 896.91968 2188.22998 2371.0 0.000422 895.95264 2475.29468 2637.0 0.000379 894.98865 2769.04053 2905.0 0.0003442 894.02789 3045.84009 3178.0 0.0003147 893.07007 3262.28687 3413.0 0.0002930 892.11627 3396.54761 3593.0 0.0002783 891.16614 3453.49316 3691.0 0.0002709 890.21948 3453.17041 3780.0 0.0002646 889.27747 3444.89722 3836.0 0.0002607 888.33954 3486.82861 3895.0 0.0002567 887.40656 3650.18823 4067.0 0.0002459 886.47839 3929.17871 4339.0 0.0002305 885.55499 4351.85693 4719.0 0.0002119 884.63684 4897.87402 5216.0 0.0001917 883.72394 5509.94336 5783.0 0.0001729 882.81702 6123.36475 6340.0 0.0001577 881.91553 6634.78223 6765.0 0.0001478 881.02032 6948.08447 6994.0 0.0001430 880.13110 6994.69971 6922.0 0.0001445 879.24823 6761.62158 6577.0 0.0001520 878.37195 6298.76074 5932.0 0.0001686 877.50220 5693.16553 5209.0 0.0001920 876.63983 5035.07861 4431.0 0.0002257 875.78381 4397.43799 3744.0 0.0002671 874.93555 3832.40649 3232.0 0.0003094 874.09406 3370.03467 2840.0 0.000352 873.26086 3019.62036 2620.0 0.000382 872.43494 2770.94629 2496.0 0.000401 871.61688 2600.09888 2398.0 0.000417 870.80688 2476.23340 2340.0 0.000427 870.00500 2369.95776 2323.0 0.000430 869.21173 2261.42896 2222.0 0.000450 868.42639 2124.46143 2147.0 0.000466 867.65002 2009.07324 2068.0 0.000484 866.88208 1912.68372 1984.0 0.000504 866.12341 1862.32410 1956.0 0.000511 865.37323 1852.62659 1967.0 0.000508 864.63245 1909.88855 2047.0 0.000489 863.90100 2042.37781 2213.0 0.000452 863.17877 2250.93066 2429.0 0.000412 862.46600 2527.13696 2705.0 0.000370 861.76288 2852.98486 3006.0 0.0003327 861.06934 3197.75366 3317.0 0.0003015 860.38568 3522.15967 3627.0 0.0002757 859.71222 3779.69580 3833.0 0.0002609 859.04877 3935.73315 3942.0 0.0002537 858.39490 3938.54590 3934.0 0.0002542 857.75165 3794.13037 3737.0 0.0002676 857.11865 3529.73389 3436.0 0.0002910 856.49622 3191.62646 3043.0 0.0003286 855.88403 2827.64551 2609.0 0.000383 855.28247 2477.67139 2229.0 0.000449 854.69159 2169.77563 1898.0 0.000527 854.11121 1917.66821 1677.0 0.000596 853.54193 1706.10120 1533.0 0.000652 852.98309 1589.96704 1488.0 0.000672 852.43542 1532.02917 1484.0 0.000674 851.89856 1522.33911 1534.0 0.000652 851.37305 1541.17822 1613.0 0.000620 850.85809 1597.79883 1759.0 0.000569 850.35492 1676.75598 1890.0 0.000529 849.86243 1777.59875 2060.0 0.000485 849.38116 1906.47913 2281.0 0.000438 848.91144 2075.70947 2497.0 0.000400 848.45288 2351.24268 2763.0 0.000362 848.00568 2645.26025 3088.0 0.0003238 847.56958 3006.49487 3440.0 0.0002907 847.14532 3421.21509 3778.0 0.0002647 846.73181 3859.17114 4139.0 0.0002416 846.33044 4273.48242 4442.0 0.0002251 845.94006 4606.98145 4612.0 0.0002168 845.56146 4802.62646 4652.0 0.0002150 845.19427 4819.94092 4506.0 0.0002219 844.83832 4650.43506 4212.0 0.0002374 844.49402 4322.98145 3811.0 0.0002624 844.16101 3892.84766 3350.0 0.0002985 843.83954 3423.75806 2959.0 0.0003380 843.52966 2973.41846 2622.0 0.000381 843.23114 2588.73657 2429.0 0.000412 842.94434 2304.12085 2368.0 0.000422 842.66858 2143.83740 2424.0 0.000413 842.40466 2104.13623 2572.0 0.000389 842.15137 2237.46216 2833.0 0.000353 841.90991 2528.18970 3181.0 0.0003144 841.67969 2974.68896 3636.0 0.0002750 841.46088 3563.05176 4208.0 0.0002376 841.25330 4262.55859 4839.0 0.0002067 841.05682 5020.10693 5544.0 0.0001804 840.87164 5760.72754 6235.0 0.0001604 840.69769 6391.89063 6841.0 0.0001462 840.53455 6816.47510 7250.0 0.0001379 840.38269 6955.86621 7301.0 0.0001370 840.24188 6777.36963 7000.0 0.0001429 840.11163 6311.98828 6289.0 0.0001590 839.99249 5642.24951 5360.0 0.0001866 839.88446 4868.56689 4278.0 0.0002338 839.78668 4082.94800 3268.0 0.0003060 839.69952 3354.31226 2427.0 0.000412 839.62335 2725.95264 1814.0 0.000551 839.55756 2217.35059 1409.0 0.000710 839.50214 1827.99109 1183.0 0.000845 839.45721 1544.71289 1028.0 0.000973 839.42267 1347.27551 939.0 0.001065 839.39807 1213.01978 909.0 0.001100 839.38379 1126.57019 876.0 0.001142 839.37958 1069.13892 864.0 0.001157 839.38519 1030.82922 861.0 0.001161 839.40094 991.18115 856.0 0.001168 839.42645 972.51605 871.0 0.001148 839.46118 958.23065 880.0 0.001136 839.50580 946.76514 890.0 0.001124 839.55988 931.70599 916.0 0.001092 839.62317 923.85291 938.0 0.001066 839.69550 927.06146 940.0 0.001064 839.77753 921.74786 949.0 0.001054 839.86859 917.22546 970.0 0.001031 839.96808 913.39349 955.0 0.001047 840.07660 910.17560 953.0 0.001049 840.19385 856.64276 950.0 0.001053 840.31976 857.94440 948.0 0.001055 840.45367 861.10864 953.0 0.001049 840.59613 862.82550 930.0 0.001075 840.74689 864.76337 935.0 0.001070 840.90570 866.98486 935.0 0.001070 841.07245 869.58215 904.0 0.001106 841.24701 872.70123 908.0 0.001101 841.42896 876.56085 901.0 0.001110 841.61859 881.48566 899.0 0.001112 841.81586 887.92432 903.0 0.001107 842.02008 896.47833 927.0 0.001079 842.23151 907.89478 953.0 0.001049 842.44995 923.05212 969.0 0.001032 842.67505 942.93146 1027.0 0.000974 842.90723 968.54205 1062.0 0.000942 843.14563 1000.93927 1117.0 0.000895 843.39038 1041.19446 1184.0 0.000845 843.64185 1090.51050 1232.0 0.000812 843.89886 1150.19043 1307.0 0.000765 844.16229 1221.78955 1377.0 0.000726 844.43103 1307.04871 1432.0 0.000698 844.70551 1407.93555 1522.0 0.000657 844.98578 1526.55884 1644.0 0.000608 845.27118 1664.34045 1751.0 0.000571 845.56195 1820.75867 1921.0 0.000521 845.85742 1991.19165 2115.0 0.000473 846.15796 2165.82104 2317.0 0.000432 846.46313 2329.09985 2500.0 0.000400 846.77283 2461.64575 2663.0 0.000376 847.08691 2543.67578 2744.0 0.000364 847.40533 2561.06592 2736.0 0.000365 847.72766 2552.08789 2637.0 0.000379 848.05389 2448.76880 2459.0 0.000407 848.38379 2316.27832 2251.0 0.000444 848.71722 2160.61133 2024.0 0.000494 849.05444 1998.21521 1829.0 0.000547 849.39435 1842.67224 1674.0 0.000597 849.73779 1701.13135 1584.0 0.000631 850.08398 1574.32825 1489.0 0.000672 850.43262 1465.47058 1458.0 0.000686 850.78430 1375.82654 1431.0 0.000699 851.13824 1306.25366 1424.0 0.000702 851.49426 1257.44165 1449.0 0.000690 851.85223 1230.83191 1484.0 0.000674 852.21222 1236.39685 1571.0 0.000637 852.57404 1265.92615 1661.0 0.000602 852.93732 1334.21204 1810.0 0.000552 853.30206 1452.35242 1979.0 0.000505 853.66772 1633.59399 2215.0 0.000451 854.03467 1891.88965 2480.0 0.000403 854.40265 2238.61182 2802.0 0.000357 854.77148 2679.30103 3216.0 0.0003109 855.14032 3208.94775 3683.0 0.0002715 855.50977 3812.95605 4208.0 0.0002376 855.87927 4448.16797 4803.0 0.0002082 856.24902 5066.68896 5385.0 0.0001857 856.61871 5604.08252 5849.0 0.0001710 856.98810 6005.18262 6202.0 0.0001612 857.35669 6189.85742 6250.0 0.0001600 857.72485 6145.15088 6028.0 0.0001659 858.09229 5887.20215 5561.0 0.0001798 858.45874 5466.03223 4904.0 0.0002039 858.82416 4947.11523 4207.0 0.0002377 859.18823 4395.33594 3553.0 0.0002815 859.55066 3863.32300 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0.002404 382.65097 426.26102 411.0 0.002433 382.50397 426.46774 420.0 0.002381 382.35831 426.75156 414.0 0.002415 382.21414 427.08508 416.0 0.002404 382.07162 427.45511 430.0 0.002326 381.93097 427.87601 427.0 0.002342 381.79205 428.33850 427.0 0.002342 381.65503 428.84048 435.0 0.002299 381.52026 429.36130 429.0 0.002331 381.38745 429.92056 429.0 0.002331 381.25717 430.50317 431.0 0.002320 381.12900 431.09122 421.0 0.002375 381.00327 431.72153 426.0 0.002347 380.88016 432.32822 423.0 0.002364 380.75952 432.94299 429.0 0.002331 380.64182 433.48499 433.0 0.002309 380.52682 434.07758 430.0 0.002326 380.41486 434.62338 431.0 0.002320 380.30557 435.21902 438.0 0.002283 380.19971 435.73221 428.0 0.002336 380.09686 436.20236 429.0 0.002331 379.99719 436.62561 438.0 0.002283 379.90085 437.00659 437.0 0.002288 379.80783 437.36328 438.0 0.002283 379.71838 437.57623 444.0 0.002252 379.63239 437.77158 446.0 0.002242 379.55005 437.89481 434.0 0.002304 379.47113 437.98663 445.0 0.002247 379.39627 438.00479 441.0 0.002268 379.32501 438.02045 440.0 0.002273 379.25748 437.80750 447.0 0.002237 379.19391 437.62735 443.0 0.002257 379.13431 437.37454 447.0 0.002237 379.07870 437.06628 443.0 0.002257 379.02701 436.71979 448.0 0.002232 378.97946 436.36969 441.0 0.002268 378.93594 435.87579 441.0 0.002268 378.89655 435.32367 439.0 0.002278 378.86118 434.71747 431.0 0.002320 378.83011 434.05930 431.0 0.002320 378.80328 433.35944 430.0 0.002326 378.78049 432.60846 420.0 0.002381 378.76190 431.84393 432.0 0.002315 378.74762 431.04926 430.0 0.002326 378.73752 430.23047 424.0 0.002358 378.73160 429.36975 427.0 0.002342 378.72998 428.50128 424.0 0.002358 378.73242 427.61963 416.0 0.002404 378.73907 426.73444 422.0 0.002370 378.75000 425.85391 416.0 0.002404 378.76486 424.94540 419.0 0.002387 378.78400 424.09113 423.0 0.002364 378.80725 423.24805 428.0 0.002336 378.83441 422.42630 422.0 0.002370 378.86557 421.64902 430.0 0.002326 378.90073 420.91440 429.0 0.002331 378.93958 420.22070 425.0 0.002353 378.98254 419.58167 435.0 0.002299 379.02917 418.99072 425.0 0.002353 379.07968 418.45609 425.0 0.002353 379.13342 417.95767 422.0 0.002370 379.19107 417.54602 422.0 0.002370 379.25214 417.19482 410.0 0.002439 379.31662 416.90228 412.0 0.002427 379.38431 416.72906 419.0 0.002387 379.45526 416.58490 421.0 0.002375 379.52948 416.50827 418.0 0.002392 379.60657 416.50024 422.0 0.002370 379.68661 416.56284 424.0 0.002358 379.76947 416.70255 431.0 0.002320 379.85495 416.90192 414.0 0.002415 379.94296 417.16650 424.0 0.002358 380.03357 417.49573 430.0 0.002326 380.12640 417.88116 415.0 0.002410 380.22137 418.33463 422.0 0.002370 380.31854 418.83371 420.0 0.002381 380.41751 419.37967 420.0 0.002381 380.51825 419.98886 415.0 0.002410 380.62054 420.63571 424.0 0.002358 380.72452 421.32181 421.0 0.002375 380.82944 422.04343 423.0 0.002364 380.93591 422.78448 427.0 0.002342 381.04327 423.53943 418.0 0.002392 381.15125 424.31104 425.0 0.002353 381.26016 425.11374 426.0 0.002347 381.36942 425.92184 426.0 0.002347 381.47906 426.72958 422.0 0.002370 381.58896 427.53015 425.0 0.002353 381.69870 428.44125 432.0 0.002315 381.80817 429.23007 417.0 0.002398 381.91730 429.98788 431.0 0.002320 382.02594 430.72037 429.0 0.002331 382.13382 431.39587 433.0 0.002309 382.24088 431.98978 438.0 0.002283 382.34656 432.67169 433.0 0.002309 382.45111 433.22171 439.0 0.002278 382.55399 433.74844 434.0 0.002304 382.65549 434.21860 433.0 0.002309 382.75497 434.60934 430.0 0.002326 382.85245 434.96973 433.0 0.002309 382.94754 435.26279 425.0 0.002353 383.04028 435.49234 435.0 0.002299 383.13058 435.67889 438.0 0.002283 383.21802 435.78033 433.0 0.002309 383.30240 435.81754 452.0 0.002212 383.38348 435.73895 449.0 0.002227 383.46146 435.65228 449.0 0.002227 383.53589 435.50952 447.0 0.002237 383.60666 435.33838 448.0 0.002232 383.67343 435.08475 435.0 0.002299 383.73624 434.77985 441.0 0.002268 383.79489 434.40143 440.0 0.002273 383.84900 434.01596 433.0 0.002309 383.89893 433.61548 437.0 0.002288 383.94391 433.11169 441.0 0.002268 383.98419 432.61963 428.0 0.002336 384.01941 432.10861 439.0 0.002278 384.04956 431.55212 440.0 0.002273 384.07431 431.02292 439.0 0.002278 384.09393 430.47852 449.0 0.002227 384.10791 429.94702 445.0 0.002247 384.11630 429.40515 442.0 0.002262 384.11890 428.86685 434.0 0.002304 384.11560 428.34546 433.0 0.002309 384.10657 427.84091 427.0 0.002342 384.09146 427.37671 422.0 0.002370 384.07007 426.92603 424.0 0.002358 384.04251 426.49570 430.0 0.002326 384.00873 426.09424 426.0 0.002347 383.96878 425.70880 426.0 0.002347 383.92221 425.40790 424.0 0.002358 383.86923 425.12271 421.0 0.002375 383.81000 424.86957 420.0 0.002381 383.74420 424.65329 418.0 0.002392 383.67191 424.49130 413.0 0.002421 383.59311 424.35577 418.0 0.002392 383.50784 424.27127 417.0 0.002398 383.41605 424.22446 420.0 0.002381 383.31778 424.19214 415.0 0.002410 383.21313 424.20871 427.0 0.002342 383.10202 424.26041 415.0 0.002410 382.98489 424.34210 427.0 0.002342 382.86127 424.43509 423.0 0.002364 382.73154 424.56332 419.0 0.002387 382.59583 424.71774 423.0 0.002364 382.45425 424.93024 414.0 0.002415 382.30652 425.12302 415.0 0.002410 382.15320 425.32196 410.0 0.002439 381.99423 425.57809 409.0 0.002445 381.82993 425.79614 411.0 0.002433 381.66034 426.03125 409.0 0.002445 381.48557 426.24393 407.0 0.002457 381.30609 426.43036 411.0 0.002433 381.12155 426.62320 407.0 0.002457 380.93286 426.82578 409.0 0.002445 380.73953 427.00311 407.0 0.002457 380.54251 427.14474 418.0 0.002392 380.34134 427.23810 417.0 0.002398 380.13651 427.25305 422.0 0.002370 379.92871 427.28683 421.0 0.002375 379.71759 427.28763 420.0 0.002381 379.50409 427.24747 421.0 0.002375 379.28784 427.17987 418.0 0.002392 379.06967 427.03741 415.0 0.002410 378.84940 426.91556 424.0 0.002358 378.62787 426.72299 423.0 0.002364 378.40506 426.49429 429.0 0.002331 378.18121 426.22351 426.0 0.002347 377.95731 425.92126 426.0 0.002347 377.73300 425.53696 424.0 0.002358 377.50916 425.16016 433.0 0.002309 377.28580 424.77063 415.0 0.002410 377.06354 424.31537 430.0 0.002326 376.84247 423.87949 435.0 0.002299 376.62354 423.39578 426.0 0.002347 376.40649 422.87869 430.0 0.002326 376.19199 422.35474 430.0 0.002326 375.98087 421.86719 433.0 0.002309 375.77267 421.37421 428.0 0.002336 375.56870 420.90125 428.0 0.002336 375.36850 420.40796 425.0 0.002353 375.17340 419.94354 436.0 0.002294 374.98294 419.45395 428.0 0.002336 374.79810 419.01382 429.0 0.002331 374.61902 418.56747 435.0 0.002299 374.44608 418.15024 429.0 0.002331 374.27985 417.75916 427.0 0.002342 374.12057 417.39972 421.0 0.002375 373.96881 417.07132 433.0 0.002309 373.82477 416.76108 424.0 0.002358 373.68896 416.50061 425.0 0.002353 373.56152 416.27679 426.0 0.002347 373.44299 416.09192 423.0 0.002364 373.33347 415.94702 419.0 0.002387 373.23352 415.85382 416.0 0.002404 373.14337 415.81265 419.0 0.002387 373.06339 415.75409 418.0 0.002392 372.99377 415.78033 428.0 0.002336 372.93469 415.83902 418.0 0.002392 372.88647 415.93402 419.0 0.002387 372.84933 416.06729 413.0 0.002421 372.82358 416.22482 414.0 0.002415 372.80899 416.42661 415.0 0.002410 372.80615 416.67166 407.0 0.002457 372.81494 416.89722 413.0 0.002421 372.83545 417.19513 419.0 0.002387 372.86792 417.50757 413.0 0.002421 372.91226 417.84769 412.0 0.002427 372.96835 418.20117 417.0 0.002398 373.03650 418.56387 418.0 0.002392 373.11621 418.92776 417.0 0.002398 373.20779 419.30908 418.0 0.002392 373.31097 419.69434 419.0 0.002387 373.42526 420.08542 422.0 0.002370 373.55103 420.46530 425.0 0.002353 373.68759 420.84451 425.0 0.002353 373.83478 421.21655 424.0 0.002358 373.99228 421.56894 426.0 0.002347 374.15994 421.91748 424.0 0.002358 374.33701 422.24966 417.0 0.002398 374.52335 422.56396 431.0 0.002320 374.71823 422.86096 420.0 0.002381 374.92114 423.13367 430.0 0.002326 375.13187 423.38037 430.0 0.002326 375.34918 423.60562 426.0 0.002347 375.57300 423.80524 426.0 0.002347 375.80222 423.97839 427.0 0.002342 376.03653 424.11899 421.0 0.002375 376.27466 424.07898 422.0 0.002370 376.51624 424.17334 429.0 0.002331 376.76001 424.24530 427.0 0.002342 377.00534 424.29907 426.0 0.002347 377.25128 424.31601 430.0 0.002326 377.49667 424.30524 433.0 0.002309 377.74081 424.23129 433.0 0.002309 377.98233 424.17175 437.0 0.002288 378.22064 424.08780 431.0 0.002320 378.45419 423.98322 434.0 0.002304 378.68240 423.85034 425.0 0.002353 378.90378 423.69839 422.0 0.002370 379.11719 423.52637 424.0 0.002358 379.32178 423.33093 414.0 0.002415 379.51602 423.11899 417.0 0.002398 379.69928 422.87991 419.0 0.002387 379.87009 422.62683 410.0 0.002439 380.02753 422.35632 412.0 0.002427 380.17035 422.07126 418.0 0.002392 380.29782 421.73920 412.0 0.002427 380.40869 421.38040 412.0 0.002427 380.50223 421.04941 414.0 0.002415 380.57712 420.70224 413.0 0.002421 380.63284 420.33484 408.0 0.002451 380.66879 419.95093 411.0 0.002433 380.68411 419.52994 414.0 0.002415 380.67841 419.12668 410.0 0.002439 380.65103 418.70688 408.0 0.002451 380.60178 418.27667 416.0 0.002404 380.53052 417.83533 406.0 0.002463 380.43738 417.36871 407.0 0.002457 380.32242 416.94077 413.0 0.002421 380.18631 416.46146 411.0 0.002433 380.02914 415.97665 414.0 0.002415 379.85251 415.48499 413.0 0.002421 379.65677 414.97891 413.0 0.002421 379.44394 414.45822 415.0 0.002410 379.21545 413.94226 411.0 0.002433 378.97327 413.40695 414.0 0.002415 378.72034 412.86728 412.0 0.002427 378.45880 412.32471 410.0 0.002439 378.19263 411.78369 416.0 0.002404 377.92493 411.26852 412.0 0.002427 377.66028 410.73715 413.0 0.002421 377.40295 410.21719 410.0 0.002439 377.15884 409.71439 414.0 0.002415 376.93356 409.22894 410.0 0.002439 376.73328 408.77005 410.0 0.002439 376.56595 408.34454 417.0 0.002398 376.43887 407.95972 416.0 0.002404 376.36142 407.62433 421.0 0.002375 376.34262 407.34741 420.0 0.002381 376.39313 407.13861 414.0 0.002415 376.52466 407.01001 419.0 0.002387 376.74905 406.99319 414.0 0.002415 377.08017 407.06335 410.0 0.002439 377.53299 407.25867 419.0 0.002387 378.12250 407.58698 420.0 0.002381 378.86624 408.07040 416.0 0.002404 379.78223 408.74551 411.0 0.002433 380.89148 409.58990 408.0 0.002451 382.21289 410.68729 405.0 0.002469 383.77243 412.00244 398.0 0.002513 385.59088 413.58163 402.0 0.002488 387.69818 415.45032 404.0 0.002475 390.12323 417.63052 400.0 . . . _pd_meas_number_of_points 4790 _pd_proc_number_of_points 4790 loop_ _refln_index_h _refln_index_k _refln_index_l _refln_observed_status _refln_F_squared_meas _refln_F_squared_calc _refln_phase_calc _refln_d_spacing _gsas_i100_meas 1 0 -1 o 0.798 0.004 180.00 16.28631 0.24 1 0 1 o 478.280 442.015 0.00 11.80602 2.06 2 0 0 o 1040.468 1069.918 180.00 10.70218 14.02 0 0 2 o 3335.693 3294.555 0.00 8.71762 18.86 2 0 -2 o 304.807 220.167 180.00 8.14315 2.00 3 0 -1 o 12092.866 12342.611 0.00 7.48956 44.00 1 0 -3 o 7540.479 7294.510 180.00 6.12190 24.24 3 0 1 o 3727.652 3700.642 0.00 5.97181 9.73 2 0 2 o 32.470 283.564 180.00 5.90301 0.07 3 0 -3 o 670.329 463.048 0.00 5.42877 2.18 4 0 -2 o 835.023 713.511 180.00 5.38662 1.09 4 0 0 o 23134.123 23033.369 180.00 5.35109 75.56 1 0 3 o 1717.658 1838.182 0.00 5.20609 6.30 1 1 0 o 1863.781 1625.309 0.00 4.77133 5.03 0 1 1 o 2428.709 2385.963 180.00 4.71232 15.64 1 1 -1 o 26656.115 27052.203 0.00 4.68738 100.00 2 0 -4 o 498.084 514.087 180.00 4.57643 0.87 1 1 1 o 829.951 789.713 0.00 4.52133 0.49 5 0 -1 o 1522.369 1409.124 0.00 4.50166 3.53 2 1 -1 o 10286.602 10189.460 0.00 4.45615 25.63 2 1 0 o 5557.936 5493.247 0.00 4.45108 13.12 0 0 4 o 8358.595 8821.033 180.00 4.35881 11.51 1 1 -2 o 2836.845 2780.844 180.00 4.31612 10.40 0 1 2 o 1321.712 1152.167 0.00 4.26783 4.42 2 1 -2 o 1368.574 1238.612 180.00 4.19503 3.28 2 1 1 o 13418.899 13045.234 180.00 4.18238 35.26 3 1 -1 o 787.877 748.768 0.00 4.09717 4.65 5 0 -3 o 178.916 148.819 180.00 4.12951 0.21 1 1 2 o 9296.512 9215.422 180.00 4.06595 31.50 4 0 -4 o 765.894 766.636 0.00 4.07158 1.35 3 1 0 o 9957.454 9892.789 180.00 4.03608 18.56 4 0 2 o 31467.137 31575.494 0.00 4.02587 48.27 3 1 -2 o 671.264 684.176 0.00 3.94261 2.81 3 0 3 o 4406.815 3947.023 0.00 3.93534 1.81 5 0 1 o 4584.388 4699.882 0.00 3.88168 5.78 1 1 -3 o 3408.237 3336.422 0.00 3.82287 12.24 3 1 1 o 2083.718 2085.986 0.00 3.78549 3.10 2 1 -3 o 15923.141 15948.821 0.00 3.78323 29.42 2 1 2 o 1775.796 1785.057 180.00 3.76778 2.84 6 0 -2 o 3095.036 3057.099 180.00 3.74478 2.80 0 1 3 o 1377.309 1356.601 0.00 3.74372 2.16 4 1 -1 o 4534.610 4510.361 180.00 3.69743 17.77 3 1 -3 o 268.569 260.959 0.00 3.63518 0.26 2 0 4 o 1518.207 1449.124 0.00 3.65192 2.28 4 1 -2 o 2872.259 2873.608 0.00 3.62244 12.02 4 1 0 o 0.046 0.001 0.00 3.61158 0.01 1 0 -5 o 454.025 450.831 180.00 3.62948 0.42 3 0 -5 o 8531.852 8586.536 0.00 3.61902 9.23 6 0 0 o 4584.970 4517.108 0.00 3.56739 6.59 1 1 3 o 9738.794 9710.169 180.00 3.56600 27.59 3 1 2 o 346.201 292.633 180.00 3.43484 1.40 4 1 -3 o 5478.580 5034.169 180.00 3.41302 10.33 4 1 1 o 1604.115 1392.081 180.00 3.39490 1.91 2 1 -4 o 15212.888 15050.755 180.00 3.34281 25.37 1 1 -4 o 1726.173 1741.884 180.00 3.33796 5.58 5 1 -1 o 1609.480 1568.687 180.00 3.31334 3.43 2 1 3 o -38.401 752.368 180.00 3.32791 0.00 6 0 -4 o 1976.769 2044.117 180.00 3.32672 1.67 5 1 -2 o 2247.545 2190.944 0.00 3.28891 7.01 3 1 -4 o 3529.987 3541.305 180.00 3.26869 4.09 1 0 5 o 9195.747 9134.210 180.00 3.28029 12.06 5 0 -5 o 2106.249 2176.804 180.00 3.25726 2.33 0 1 4 o 2733.953 2856.042 180.00 3.25512 5.11 5 1 0 o 69.873 68.001 180.00 3.22227 0.17 7 0 -1 o 6192.446 6022.039 0.00 3.18907 7.81 5 1 -3 o 13639.735 13311.555 180.00 3.15622 33.33 7 0 -3 o 39.822 38.702 0.00 3.14950 0.02 4 1 -4 o 12745.643 12684.990 0.00 3.13012 22.62 4 1 2 o 16387.283 16143.865 180.00 3.10921 23.11 1 1 4 o 1740.674 1724.476 0.00 3.11032 2.80 3 1 3 o 18614.242 18450.184 180.00 3.06694 24.15 2 0 -6 o 1614.594 1587.638 0.00 3.06095 1.24 5 1 1 o 9158.378 9275.749 180.00 3.04133 14.19 5 0 3 o 1092.647 1734.280 0.00 3.01913 1.02 6 1 -2 o 432.282 437.354 180.00 2.97413 1.10 6 1 -1 o 6929.702 6807.513 0.00 2.96961 8.43 6 0 2 o 5345.990 6067.939 0.00 2.98591 3.43 4 0 -6 o 1.654 2.074 180.00 2.98147 0.00 5 1 -4 o 11322.151 11045.391 0.00 2.95011 18.31 4 0 4 o 305.407 296.951 180.00 2.95150 0.06 2 1 -5 o 371.288 371.396 0.00 2.94000 0.53 2 1 4 o 1001.263 1040.535 180.00 2.92696 0.01 3 1 -5 o 218.049 214.472 0.00 2.90994 0.21 1 1 -5 o 2873.711 2859.982 180.00 2.91537 6.50 6 1 -3 o 480.768 476.130 180.00 2.89536 1.13 0 0 6 o 1786.748 1757.699 180.00 2.90587 1.06 6 1 0 o 1673.534 1536.893 180.00 2.88290 3.29 7 0 1 o 4932.202 4169.816 0.00 2.86114 3.43 4 1 -5 o 7164.486 6764.823 0.00 2.82998 10.95 0 1 5 o 1743.766 1564.920 180.00 2.84000 2.07 5 1 2 o -111.168 3944.677 0.00 2.81170 0.00 4 1 3 o 2234.490 2182.362 180.00 2.80939 5.45 8 0 -2 o 799.348 763.399 0.00 2.82148 0.64 3 0 5 o 16893.000 16707.854 0.00 2.80146 11.22 7 0 -5 o 8438.976 8262.992 180.00 2.77761 5.27 6 1 -4 o 8119.450 8088.688 0.00 2.75135 9.40 6 1 1 o 1400.057 1351.812 0.00 2.73359 2.47 3 1 4 o 14.581 356.047 180.00 2.72724 0.00 5 1 -5 o 1139.595 1217.434 0.00 2.71167 1.48 1 1 5 o 190.460 181.658 180.00 2.72491 0.31 6 0 -6 o 2399.523 2512.212 180.00 2.71438 1.81 7 1 -2 o 185.874 185.559 0.00 2.69168 0.31 8 0 -4 o 378.164 377.278 180.00 2.69331 0.10 7 1 -1 o 6441.148 6701.973 0.00 2.67194 5.16 8 0 0 o 1141.898 1209.543 180.00 2.67554 0.85 7 1 -3 o 41.794 30.917 0.00 2.64854 0.07 3 0 -7 o 6825.004 6081.806 180.00 2.62532 3.94 7 1 0 o 5640.785 5491.424 0.00 2.59329 7.88 2 0 6 o 1.991 1.775 180.00 2.60304 0.00 3 1 -6 o 3146.896 3021.138 0.00 2.58913 2.21 2 1 -6 o 300.006 294.292 180.00 2.59523 0.37 2 1 5 o 1116.146 1064.630 0.00 2.58426 1.74 5 1 3 o 10.624 10.422 180.00 2.56959 0.01 6 1 -5 o 638.140 623.930 180.00 2.56922 0.30 1 0 -7 o 2878.134 2818.543 180.00 2.56953 1.08 1 1 -6 o 1091.036 1058.414 180.00 2.56378 1.28 7 1 -4 o 0.034 0.037 0.00 2.55099 0.00 6 1 2 o 6.488 6.930 0.00 2.54902 0.00 4 1 -6 o 5557.464 5850.986 0.00 2.54625 4.68 4 1 4 o 1056.870 1196.267 0.00 2.52751 0.93 5 0 -7 o 4212.498 4815.498 180.00 2.53038 2.02 0 1 6 o 1063.123 1257.886 180.00 2.49868 0.63 9 0 -3 o 1245.931 1505.071 0.00 2.49652 0.50 5 1 -6 o 1628.955 1808.184 0.00 2.47181 1.26 7 1 1 o -0.369 0.001 0.00 2.47007 0.01 9 0 -1 o 3661.705 4082.802 180.00 2.46355 2.59 0 2 0 o 1920.416 1958.827 180.00 2.44724 0.44 8 1 -2 o 474.021 468.683 0.00 2.44441 0.47 1 2 0 o 343.050 337.636 0.00 2.43140 0.18 3 1 5 o 22.273 22.009 0.00 2.43136 0.02 8 1 -3 o 922.620 878.745 0.00 2.42400 1.18 0 2 1 o 366.174 346.274 0.00 2.42348 0.34 1 2 -1 o 1326.867 1197.725 180.00 2.42007 1.40 8 1 -1 o 260.192 225.909 180.00 2.41749 0.15 7 1 -5 o 558.854 463.296 180.00 2.41572 0.01 1 1 6 o 157.842 115.947 180.00 2.40726 0.17 6 0 4 o 1915.480 1441.679 180.00 2.41076 0.93 7 0 3 o 1245.265 937.349 0.00 2.40908 0.53 1 2 1 o 165.175 143.703 0.00 2.39630 0.03 2 2 -1 o 3212.706 3444.525 0.00 2.38644 2.65 2 2 0 o 1426.919 1531.471 180.00 2.38566 0.85 1 0 7 o 33.749 35.487 180.00 2.38849 0.02 6 1 -6 o 1782.897 1863.865 0.00 2.37378 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1648.537 0.00 2.13772 0.74 0 2 4 o 813.670 940.696 0.00 2.13391 0.58 5 1 5 o 4.162 4.172 0.00 2.12667 0.01 5 2 0 o 1884.344 1834.289 180.00 2.12458 0.74 8 1 2 o 491.494 471.502 180.00 2.12319 0.36 9 1 -5 o 89.058 84.261 180.00 2.11202 0.01 5 2 -3 o 1881.121 1602.396 180.00 2.10531 2.01 7 1 -7 o -58.279 1290.636 0.00 2.10129 0.00 4 2 -4 o 53.599 43.345 180.00 2.09752 0.03 1 2 4 o 966.825 940.922 180.00 2.09153 0.73 4 2 2 o 66.730 65.731 0.00 2.09119 0.04 9 0 -7 o 1950.010 2038.069 0.00 2.08175 0.68 3 1 -8 o 4276.296 4303.105 0.00 2.08031 2.69 3 2 3 o -0.506 25.942 180.00 2.07818 0.00 4 1 -8 o 1854.302 1595.760 180.00 2.07287 0.92 5 2 1 o 14.073 12.289 0.00 2.07016 0.01 2 1 -8 o 17.681 15.329 0.00 2.06824 0.01 10 0 -6 o 4528.563 4072.243 0.00 2.06476 0.91 2 1 7 o 214.127 202.804 0.00 2.06067 0.24 4 1 6 o 251.668 243.168 180.00 2.05871 0.38 9 1 1 o 2970.609 2837.840 0.00 2.05346 2.22 11 0 -3 o 8.057 7.631 0.00 2.05178 0.00 6 2 -2 o 94.344 88.837 180.00 2.04858 0.12 10 1 -3 o 2451.722 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180.00 2.00494 2.13 7 1 4 o 3820.079 3148.030 180.00 2.00405 0.94 6 1 -8 o 133.723 111.712 180.00 2.00341 0.03 0 2 5 o 2300.911 1881.096 180.00 2.00315 0.79 4 2 -5 o 932.530 757.307 180.00 1.99963 0.37 5 2 2 o 888.436 745.765 180.00 1.99315 0.40 8 1 3 o 32.950 28.468 0.00 1.99246 0.01 4 2 3 o 90.203 77.180 0.00 1.99233 0.02 0 1 8 o 994.878 846.196 180.00 1.99095 0.36 9 0 3 o 5388.098 4631.398 180.00 1.99060 1.36 11 0 -5 o 753.318 658.004 0.00 1.98918 0.10 1 0 -9 o 4864.404 4382.059 180.00 1.98685 0.93 6 1 5 o 3348.487 3064.627 180.00 1.98565 3.39 10 1 -5 o 37.020 38.150 180.00 1.97202 0.01 6 2 -4 o 319.150 327.908 180.00 1.97130 0.30 6 0 6 o 2191.092 2160.739 180.00 1.96767 0.18 3 1 7 o 3140.678 3090.674 0.00 1.96751 3.35 6 2 1 o 1917.230 1826.709 180.00 1.96474 0.89 3 2 4 o 2416.593 2254.481 0.00 1.96238 0.88 1 2 5 o 737.848 683.868 180.00 1.96151 0.42 10 1 0 o 2635.294 2431.164 180.00 1.96111 1.31 5 2 -5 o 414.492 385.861 0.00 1.95655 0.15 9 1 2 o 8.139 8.014 0.00 1.95239 0.00 7 2 -2 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215.023 180.00 1.57370 0.08 2 3 -3 o 857.511 1003.429 180.00 1.57366 0.43 2 3 2 o 9.509 10.721 0.00 1.57254 0.00 4 1 9 o -0.102 0.115 180.00 1.57250 0.00 11 2 -3 o 203.694 229.417 180.00 1.57229 0.08 0 3 3 o 29.837 32.169 180.00 1.57077 0.02 10 2 1 o 161.284 173.233 180.00 1.57027 0.10 14 0 -6 o 469.562 550.063 0.00 1.57475 0.04 6 1 -11 o 3.080 3.170 180.00 1.56938 0.00 9 0 -11 o 666.087 675.291 180.00 1.56879 0.13 11 2 -2 o 271.399 265.844 180.00 1.56789 0.09 4 2 -9 o 108.799 104.976 0.00 1.56734 0.03 4 3 -1 o 165.040 157.633 0.00 1.56730 0.04 3 2 -9 o 891.636 853.904 0.00 1.56726 0.39 8 2 -8 o 261.754 234.263 180.00 1.56506 0.09 11 2 -4 o 168.712 143.486 0.00 1.56399 0.10 3 3 -3 o 838.270 707.304 180.00 1.56246 0.25 12 1 2 o 817.526 678.219 0.00 1.56161 0.09 4 3 -2 o 2.160 1.813 180.00 1.56145 0.00 4 3 0 o 435.558 361.012 180.00 1.56057 0.11 13 1 0 o 1261.820 1042.282 0.00 1.56056 0.23 4 2 7 o -38.194 506.238 0.00 1.56031 0.00 2 1 -11 o 223.731 185.779 0.00 1.55971 0.07 5 2 -9 o 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28.590 180.00 1.51894 0.01 5 3 -3 o 76.954 85.683 180.00 1.51736 0.01 14 1 -2 o 51.767 57.063 0.00 1.51611 0.01 4 3 -4 o 133.400 142.306 0.00 1.51444 0.02 13 1 1 o 16.501 17.977 0.00 1.51439 0.00 13 0 -9 o 1753.731 1861.302 0.00 1.51415 0.21 11 2 -6 o 937.055 945.152 0.00 1.51244 0.49 1 3 4 o 219.006 218.962 180.00 1.51218 0.08 4 3 2 o 0.594 0.587 180.00 1.51205 0.00 8 1 7 o 534.071 513.268 0.00 1.51108 0.54 3 2 8 o 98.597 93.907 0.00 1.51099 0.03 12 1 -9 o 272.670 249.558 0.00 1.50983 0.13 10 0 6 o 0.064 0.033 180.00 1.50957 0.00 12 0 -10 o 1296.478 1163.184 0.00 1.50926 0.22 5 1 9 o 120.913 105.243 180.00 1.50864 0.05 0 1 11 o 296.191 252.972 0.00 1.50792 0.09 11 0 5 o 3.891 3.209 180.00 1.50761 0.00 3 3 3 o 330.012 276.564 180.00 1.50711 0.01 3 1 10 o 34.228 26.556 180.00 1.50514 0.00 2 0 -12 o 1227.163 980.022 0.00 1.50485 0.14 5 3 1 o 260.802 209.056 180.00 1.50404 0.09 5 2 7 o 0.284 1.774 180.00 1.50362 0.00 15 0 -3 o 9.805 8.440 180.00 1.50055 0.00 13 1 -8 o 308.771 259.724 180.00 1.50054 0.11 14 1 -6 o 1175.969 1034.801 180.00 1.49907 0.26 9 0 7 o 85.850 75.793 0.00 1.49868 0.01 15 0 -5 o 2757.921 2539.402 0.00 1.49791 0.34 12 1 3 o 399.976 402.720 0.00 1.49581 0.07 6 3 -2 o 797.715 805.888 180.00 1.49571 0.14 6 3 -1 o 649.955 672.253 180.00 1.49513 0.11 11 1 -10 o 7.776 8.133 0.00 1.49475 0.00 14 0 -8 o 21.995 23.024 0.00 1.49454 0.00 9 1 -11 o 2.153 2.597 0.00 1.49392 0.00 12 0 4 o 887.339 992.084 180.00 1.49295 0.11 5 3 -4 o 169.871 192.255 0.00 1.49263 0.03 14 1 -1 o 117.754 134.055 0.00 1.49235 0.02 12 2 -3 o 1097.047 1268.589 180.00 1.49136 0.38 2 3 -5 o 826.220 954.636 180.00 1.49131 0.34 8 0 -12 o 362.006 427.878 0.00 1.49074 0.06 8 2 -9 o 49.036 59.325 0.00 1.48977 0.02 2 3 4 o 188.061 219.700 0.00 1.48960 0.03 1 2 9 o 28.991 33.905 0.00 1.48917 0.01 1 3 -5 o 713.949 843.915 180.00 1.48807 0.35 3 3 -5 o 251.254 295.174 180.00 1.48734 0.07 12 2 -4 o 0.015 0.059 0.00 1.48706 0.00 11 2 1 o 333.263 386.952 180.00 1.48561 0.17 6 3 -3 o 19.608 22.236 180.00 1.48538 0.00 12 2 -2 o 19.739 22.686 180.00 1.48480 0.00 6 3 0 o 5.340 6.114 180.00 1.48369 0.00 7 1 8 o 28.792 31.998 180.00 1.48322 0.03 11 0 -11 o 1335.079 1443.003 180.00 1.48057 0.24 8 2 5 o 293.745 310.527 180.00 1.47926 0.19 9 2 4 o 69.068 71.288 180.00 1.47814 0.01 0 3 5 o 554.633 565.871 0.00 1.47775 0.25 4 3 -5 o 290.847 286.889 180.00 1.47633 0.06 8 0 8 o 419.516 409.356 180.00 1.47575 0.02 10 2 -8 o 1328.032 1274.304 0.00 1.47506 0.43 5 3 2 o 42.439 38.710 180.00 1.47372 0.02 4 3 3 o 219.125 201.545 180.00 1.47339 0.03 1 1 11 o 2130.857 1966.979 0.00 1.47331 0.64 11 2 -7 o 140.388 128.398 0.00 1.47250 0.05 12 2 -5 o 820.982 742.180 0.00 1.47219 0.42 4 2 -10 o 1113.338 978.915 0.00 1.47000 0.27 7 2 6 o 162.990 143.499 0.00 1.46830 0.06 14 1 -7 o 366.941 316.465 180.00 1.46816 0.10 12 2 -1 o 1426.587 1231.010 180.00 1.46782 0.38 3 2 -10 o 141.080 121.594 0.00 1.46724 0.05 13 0 3 o 1209.071 1041.262 180.00 1.46668 0.16 5 2 -10 o 3858.681 3334.147 180.00 1.46585 0.73 10 2 3 o -52.477 1207.853 180.00 1.46503 0.00 6 3 -4 o 20.512 17.851 180.00 1.46482 0.00 4 2 8 o 846.475 744.523 0.00 1.46348 0.04 6 3 1 o 1681.705 1499.813 180.00 1.46212 0.51 5 1 -12 o 76.525 67.648 180.00 1.46195 0.03 13 1 2 o 105.925 95.479 0.00 1.46171 0.00 3 3 4 o 317.188 285.543 180.00 1.46115 0.02 1 3 5 o 28.975 26.534 0.00 1.46079 0.01 4 1 -12 o 1083.265 985.333 0.00 1.46073 0.42 15 0 -1 o 243.800 222.523 180.00 1.46041 0.05 14 1 0 o 3926.161 3646.436 0.00 1.45934 0.55 5 3 -5 o 579.896 543.294 0.00 1.45874 0.10 2 2 -10 o 282.102 269.063 0.00 1.45769 0.12 10 1 -11 o 1545.967 1480.571 180.00 1.45739 0.72 6 1 -12 o 117.376 113.823 180.00 1.45638 0.05 7 3 -2 o 339.912 334.028 180.00 1.45560 0.09 9 2 -9 o 367.796 364.685 0.00 1.45501 0.12 6 2 -10 o 0.013 0.012 180.00 1.45497 0.00 2 2 9 o 18.847 18.849 180.00 1.45432 0.00 15 0 -7 o 55.364 56.008 180.00 1.45314 0.00 0 0 12 o 38.873 39.328 180.00 1.45294 0.00 4 1 10 o 1.836 1.861 0.00 1.45292 0.00 3 1 -12 o 275.253 278.731 180.00 1.45277 0.10 3 0 11 o 2146.848 2175.900 180.00 1.45270 0.47 7 3 -1 o 612.549 620.268 180.00 1.45246 0.11 7 3 -3 o 505.704 505.246 0.00 1.44866 0.16 12 2 -6 o 29.797 29.550 180.00 1.44768 0.01 13 1 -9 o 0.110 0.083 0.00 1.44651 0.00 6 2 7 o -35.173 307.701 180.00 1.44604 0.00 6 1 9 o 215.688 211.965 180.00 1.44534 0.14 7 1 -12 o 163.965 161.716 0.00 1.44426 0.06 10 1 6 o 25.648 25.981 0.00 1.44252 0.01 7 0 9 o 65.718 66.671 0.00 1.44240 0.01 12 1 -10 o 17.407 17.739 180.00 1.44225 0.01 1 2 -10 o 832.613 854.940 0.00 1.44173 0.30 12 2 0 o 599.931 619.540 180.00 1.44145 0.23 11 2 2 o 15.202 15.848 0.00 1.44084 0.00 11 1 5 o 6.914 7.538 0.00 1.44081 0.00 2 3 -6 o 184.999 199.382 180.00 1.43975 0.07 7 3 0 o 5.500 5.869 0.00 1.43942 0.00 3 3 -6 o 713.859 786.226 180.00 1.43871 0.22 2 1 -12 o 409.466 454.381 0.00 1.43840 0.12 15 1 -4 o 40.071 44.903 0.00 1.43836 0.01 2 3 5 o 287.651 321.555 180.00 1.43787 0.08 7 2 -10 o 12.619 14.462 0.00 1.43780 0.00 5 3 3 o 427.584 471.982 0.00 1.43533 0.08 6 3 -5 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180.00 1.41715 0.55 15 1 -6 o 0.116 0.125 0.00 1.41694 0.00 10 2 -9 o 83.561 87.747 180.00 1.41633 0.03 3 2 9 o 600.518 631.863 0.00 1.41558 0.18 13 2 -3 o 2.202 2.316 180.00 1.41553 0.00 8 2 -10 o 147.225 155.379 0.00 1.41499 0.05 12 2 -7 o 683.909 723.368 0.00 1.41494 0.27 5 0 -13 o 1816.148 1925.922 180.00 1.41440 0.25 13 2 -4 o 258.102 271.782 0.00 1.41426 0.09 5 2 8 o -28.005 347.661 180.00 1.41398 0.00 8 1 8 o 113.016 119.922 0.00 1.41292 0.13 8 3 -2 o 4.609 4.890 0.00 1.41237 0.00 16 0 -4 o 2220.276 2318.480 0.00 1.41074 0.34 9 2 5 o 15.458 16.033 0.00 1.41053 0.00 3 3 5 o 112.498 115.773 0.00 1.40984 0.02 8 3 -3 o 799.109 797.988 180.00 1.40840 0.35 13 2 -2 o 53.432 51.980 180.00 1.40754 0.01 12 2 1 o 116.861 113.038 180.00 1.40720 0.05 8 3 -1 o 68.402 65.831 180.00 1.40712 0.01 7 3 -5 o 75.440 72.182 0.00 1.40677 0.02 10 2 4 o -10.519 214.333 180.00 1.40585 0.00 1 3 6 o 4.649 4.232 0.00 1.40509 0.00 13 1 3 o 166.979 151.761 180.00 1.40495 0.02 8 2 6 o 37.646 33.846 0.00 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10.087 180.00 1.37421 0.00 7 3 -6 o 492.298 538.332 0.00 1.37416 0.14 4 2 9 o 5.088 5.667 180.00 1.37408 0.00 14 1 2 o 62.961 68.622 0.00 1.37312 0.00 6 2 -11 o 1860.828 2009.149 180.00 1.37199 0.33 5 3 -7 o 266.600 284.236 180.00 1.37119 0.05 8 3 1 o 755.179 801.440 0.00 1.37065 0.13 15 1 0 o 1202.008 1260.897 180.00 1.36992 0.14 9 0 -13 o 107.841 110.819 180.00 1.36898 0.01 9 3 -2 o 218.276 215.913 180.00 1.36716 0.07 12 2 2 o 35.464 34.816 0.00 1.36680 0.01 13 2 0 o 297.865 287.606 180.00 1.36609 0.09 1 0 -13 o 2837.757 2722.015 0.00 1.36590 0.22 9 3 -3 o 484.017 462.112 0.00 1.36572 0.22 2 2 -11 o 743.156 705.046 0.00 1.36552 0.25 11 1 6 o 345.522 324.657 180.00 1.36510 0.09 0 3 7 o 173.939 162.207 0.00 1.36478 0.03 6 2 8 o -0.926 19.358 0.00 1.36362 0.00 1 1 12 o 587.184 529.550 180.00 1.36328 0.15 2 2 10 o 69.520 62.122 180.00 1.36246 0.02 15 1 -8 o 61.439 53.651 180.00 1.36193 0.02 10 1 7 o 692.171 602.707 180.00 1.36037 0.28 12 1 5 o 187.847 162.284 180.00 1.36029 0.06 9 3 -1 o 56.512 48.849 0.00 1.36025 0.01 7 2 -11 o 6.045 5.353 0.00 1.35970 0.00 5 1 -13 o 7.195 6.236 180.00 1.35880 0.00 13 2 -7 o 109.037 95.771 180.00 1.35814 0.04 12 0 -12 o 1032.867 909.489 180.00 1.35719 0.15 6 1 -13 o 155.594 137.625 180.00 1.35645 0.05 9 3 -4 o 254.800 225.583 180.00 1.35601 0.14 6 3 -7 o 39.469 35.347 0.00 1.35586 0.01 10 2 -10 o 18.693 16.494 0.00 1.35583 0.00 4 1 -13 o 521.951 467.801 180.00 1.35570 0.17 16 1 -4 o 65.656 59.541 180.00 1.35555 0.01 3 3 6 o 953.791 857.580 180.00 1.35532 0.28 5 0 11 o 9.811 9.180 180.00 1.35304 0.00 16 1 -5 o 57.036 52.562 0.00 1.35261 0.01 6 3 4 o 243.247 230.183 180.00 1.35116 0.02 7 3 3 o 1054.947 999.951 0.00 1.35086 0.20 16 1 -3 o 234.020 223.072 180.00 1.35034 0.04 1 2 -11 o 653.779 623.591 180.00 1.35027 0.16 4 1 11 o -3.432 98.551 0.00 1.34888 0.00 7 1 -13 o 1376.664 1342.491 180.00 1.34872 0.44 3 1 -13 o 2.603 2.638 0.00 1.34724 0.00 1 3 7 o 19.783 19.920 0.00 1.34720 0.00 6 1 10 o 27.102 27.661 0.00 1.34667 0.01 16 0 -8 o 560.739 572.617 0.00 1.34665 0.03 9 1 8 o 87.479 89.920 180.00 1.34640 0.07 13 1 4 o 0.095 0.137 180.00 1.34624 0.00 14 2 -4 o 36.418 38.066 180.00 1.34584 0.01 8 3 -6 o 249.110 260.449 180.00 1.34583 0.09 9 3 0 o 1276.510 1352.939 0.00 1.34536 0.20 10 2 5 o 1410.460 1499.387 0.00 1.34523 0.20 14 2 -3 o 77.496 82.769 0.00 1.34486 0.01 9 2 6 o 373.433 416.087 0.00 1.34338 0.14 11 1 -12 o 816.678 925.794 180.00 1.34248 0.41 8 2 -11 o 229.280 261.435 0.00 1.34241 0.06 5 3 5 o 4.132 4.927 0.00 1.34225 0.00 12 0 6 o 2676.379 3050.632 180.00 1.34196 0.35 16 1 -6 o 3.710 4.142 0.00 1.34167 0.00 8 3 2 o 14.992 17.096 0.00 1.34137 0.00 11 0 7 o 1318.976 1506.156 180.00 1.34066 0.16 14 2 -5 o 481.964 535.774 180.00 1.33885 0.18 9 3 -5 o 246.353 270.332 180.00 1.33854 0.12 11 2 4 o -27.404 286.988 0.00 1.33797 0.00 16 0 0 o 5079.235 5466.161 180.00 1.33777 0.75 16 1 -2 o 19.209 20.179 180.00 1.33726 0.00 14 1 -10 o 1597.786 1635.596 0.00 1.33606 0.74 14 2 -2 o 203.428 207.729 180.00 1.33597 0.03 8 1 -13 o 43.694 44.409 180.00 1.33589 0.01 7 3 -7 o 33.876 34.386 180.00 1.33580 0.01 13 2 1 o 0.001 0.000 0.00 1.33479 0.00 15 1 1 o 682.069 668.212 0.00 1.33431 0.02 13 0 5 o 1229.931 1200.821 180.00 1.33421 0.13 2 1 -13 o 383.231 370.603 0.00 1.33374 0.10 8 2 7 o 0.138 0.129 180.00 1.33253 0.00 12 2 -9 o 34.351 32.315 0.00 1.33167 0.01 5 2 9 o 671.814 625.536 0.00 1.33085 0.08 10 0 8 o 307.507 283.481 180.00 1.33040 0.02 0 2 11 o 92.701 86.452 180.00 1.33036 0.01 3 3 -8 o 132.946 123.690 180.00 1.33036 0.04 2 1 12 o 131.500 121.947 0.00 1.33034 0.02 13 1 -11 o 202.854 187.974 0.00 1.33009 0.10 3 2 10 o 113.121 102.781 180.00 1.32845 0.04 4 3 -8 o 115.331 105.184 0.00 1.32841 0.03 2 3 -8 o 150.769 134.974 180.00 1.32719 0.04 9 3 1 o 173.553 150.995 180.00 1.32326 0.03 17 0 -5 o 844.521 748.355 0.00 1.32645 0.10 13 2 -8 o 454.394 395.855 0.00 1.32528 0.11 10 3 -3 o 17.863 15.731 180.00 1.32164 0.01 2 3 7 o 299.952 260.777 180.00 1.32518 0.09 15 1 -9 o 263.048 230.601 0.00 1.32510 0.09 4 3 6 o 326.266 284.057 0.00 1.32466 0.07 10 3 -2 o 404.535 353.022 0.00 1.32097 0.13 14 2 -6 o 221.599 193.074 0.00 1.32427 0.08 8 1 9 o 90.603 78.886 0.00 1.32401 0.08 14 1 3 o 275.698 238.500 180.00 1.32377 0.01 16 1 -7 o 372.819 323.181 0.00 1.32330 0.07 12 2 3 o 594.555 513.787 0.00 1.32202 0.08 5 3 -8 o 490.119 424.137 180.00 1.32140 0.10 11 2 -10 o 32.033 26.762 180.00 1.32129 0.01 9 2 -11 o 95.285 83.193 0.00 1.32072 0.02 17 0 -3 o 333.210 294.264 0.00 1.32037 0.05 14 2 -1 o 3.163 2.794 180.00 1.31963 0.00 1 3 -8 o 6.523 5.436 0.00 1.31900 0.00 9 1 -13 o 887.447 785.003 0.00 1.31838 0.32 10 3 -4 o 178.602 160.883 180.00 1.31476 0.08 14 0 4 o 41.870 36.464 180.00 1.31788 0.00 9 3 -6 o 6.297 5.446 180.00 1.31420 0.00 16 1 -1 o 81.427 73.274 0.00 1.31696 0.01 11 0 -13 o 1627.216 1444.352 180.00 1.31689 0.22 10 3 -1 o 68.102 61.038 0.00 1.31281 0.02 1 1 -13 o 1282.518 1143.834 180.00 1.31563 0.31 8 3 -7 o 19.562 17.522 0.00 1.31165 0.01 7 2 8 o 1057.161 956.219 180.00 1.31331 0.01 7 3 4 o 28.098 26.475 0.00 1.30975 0.00 6 3 -8 o 136.349 130.450 0.00 1.30957 0.02 1 0 13 o 400.705 363.060 180.00 1.31278 0.05 6 0 -14 o 37.352 33.357 180.00 1.31266 0.00 9 0 9 o 106.550 99.058 0.00 1.31178 0.00 8 3 3 o 2236.482 2214.510 0.00 1.30650 0.35 0 3 8 o 31.318 31.082 0.00 1.30607 0.00 4 0 -14 o 98.697 96.548 0.00 1.30815 0.01 6 3 5 o 1478.742 1461.559 0.00 1.30457 0.13 12 1 -12 o 777.758 763.656 180.00 1.30784 0.41 1 2 11 o 25.686 25.478 0.00 1.30641 0.00 14 2 -7 o 229.425 224.682 0.00 1.30282 0.07 10 3 -5 o 1042.487 1011.935 180.00 1.30069 0.51 5 1 11 o -14.603 289.735 180.00 1.30413 0.00 3 3 7 o 81.424 79.075 0.00 1.29939 0.03 17 0 -7 o 3060.433 2990.345 0.00 1.30252 0.19 5 2 -12 o 879.526 858.938 180.00 1.29847 0.13 13 2 2 o 145.376 141.812 0.00 1.29830 0.05 4 0 12 o 90.280 88.050 180.00 1.30152 0.01 4 2 -12 o 89.923 88.270 0.00 1.29761 0.02 10 3 0 o 37.152 36.500 180.00 1.29754 0.01 14 2 0 o 6.836 6.770 0.00 1.29664 0.00 10 2 -11 o 86.023 86.255 180.00 1.29527 0.01 9 3 2 o 1.352 1.370 0.00 1.29501 0.00 16 1 -8 o 248.499 242.646 180.00 1.29841 0.07 6 2 -12 o 3.812 3.846 180.00 1.29456 0.00 8 0 -14 o 100.002 98.052 0.00 1.29771 0.01 15 1 2 o -17.692 253.312 180.00 1.29415 0.00 10 1 -13 o 24.866 24.588 180.00 1.29676 0.01 7 3 -8 o 1478.298 1513.532 0.00 1.29331 0.17 11 1 7 o 2.503 2.564 180.00 1.29303 0.00 4 2 10 o 225.490 233.908 180.00 1.29213 0.07 3 2 -12 o 1620.368 1685.961 0.00 1.29203 0.41 3 1 12 o 12.683 12.763 0.00 1.29492 0.00 5 3 6 o 1052.102 1106.029 0.00 1.29126 0.13 7 1 10 o 0.367 0.372 180.00 1.29444 0.00 12 1 6 o 87.154 88.353 0.00 1.29419 0.02 15 0 3 o 287.802 292.843 180.00 1.29389 0.03 16 1 0 o 3.180 3.340 0.00 1.29044 0.00 0 1 13 o 532.160 543.391 0.00 1.29349 0.13 1 3 8 o 227.650 248.010 180.00 1.28882 0.04 13 2 -9 o 160.966 176.088 180.00 1.28762 0.02 13 1 5 o 193.022 212.319 180.00 1.28724 0.05 6 2 9 o 57.696 62.729 0.00 1.28679 0.00 7 2 -12 o 44.246 49.164 180.00 1.28603 0.01 14 1 -11 o 630.025 689.477 0.00 1.28516 0.31 10 2 6 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0 -10 o 2822.050 3171.186 180.00 1.27476 0.17 11 3 -2 o 460.501 520.065 0.00 1.27463 0.14 14 0 -12 o 58.850 67.844 0.00 1.27459 0.01 12 2 4 o 15.247 17.184 0.00 1.27451 0.00 4 3 -9 o 7.531 8.663 0.00 1.27433 0.00 3 3 -9 o 242.592 273.713 180.00 1.27429 0.07 8 2 -12 o 255.226 290.940 0.00 1.27313 0.05 8 3 -8 o 81.593 92.962 180.00 1.27311 0.01 17 1 -6 o 5.713 6.942 0.00 1.27273 0.00 14 1 4 o 533.427 616.145 180.00 1.27256 0.07 11 3 -4 o 67.715 77.173 180.00 1.27253 0.03 11 1 -13 o 311.037 359.345 0.00 1.27166 0.14 13 1 -12 o 29.968 34.087 180.00 1.27125 0.01 4 3 7 o 73.704 83.653 180.00 1.27055 0.02 5 3 -9 o 32.153 36.299 0.00 1.26988 0.01 15 2 -2 o 41.646 46.509 180.00 1.26982 0.00 2 3 -9 o 938.395 1070.836 0.00 1.26976 0.25 16 1 -9 o 19.115 20.720 0.00 1.26810 0.01 14 2 1 o 872.381 956.591 0.00 1.26805 0.29 5 1 -14 o 1.268 1.372 0.00 1.26804 0.00 1 1 13 o 0.177 0.187 180.00 1.26796 0.00 6 1 -14 o 8.360 9.168 180.00 1.26786 0.00 2 3 8 o 46.128 50.228 0.00 1.26776 0.01 1 2 -12 o 1007.266 1084.706 180.00 1.26752 0.16 8 3 4 o 212.156 227.999 180.00 1.26746 0.03 9 1 9 o 377.705 400.992 0.00 1.26706 0.31 11 2 -11 o 94.139 98.824 0.00 1.26678 0.01 15 2 -6 o 1130.857 1179.940 180.00 1.26662 0.34 11 3 -1 o 1138.264 1139.153 0.00 1.26556 0.24 7 3 5 o 695.193 693.143 180.00 1.26546 0.12 10 0 -14 o 63.223 62.336 0.00 1.26519 0.01 4 1 -14 o 3.815 3.595 180.00 1.26379 0.00 8 2 8 o 1.968 1.833 180.00 1.26376 0.00 16 0 2 o 147.787 137.592 180.00 1.26349 0.02 7 1 -14 o 120.865 111.356 180.00 1.26325 0.04 17 1 -2 o 421.705 375.758 180.00 1.26206 0.07 9 3 3 o 38.464 34.020 180.00 1.26183 0.00 11 3 -5 o 183.039 161.304 0.00 1.26147 0.08 6 3 -9 o 38.313 34.215 0.00 1.26108 0.00 1 3 -9 o 11.258 9.973 180.00 1.26087 0.00 6 1 11 o 21.774 18.091 0.00 1.25917 0.00 16 1 1 o 300.357 255.480 180.00 1.25884 0.01 17 1 -7 o 10.630 9.036 180.00 1.25871 0.00 13 2 3 o 756.293 643.364 180.00 1.25804 0.13 4 1 12 o 5.459 458.234 0.00 1.25781 0.00 9 2 -12 o 2014.165 1676.907 0.00 1.25626 0.35 6 3 6 o 13.074 11.021 0.00 1.25593 0.00 3 1 -14 o 69.061 56.310 0.00 1.25525 0.02 8 1 -14 o 553.985 453.325 180.00 1.25436 0.17 5 2 10 o 1682.968 1378.684 180.00 1.25431 0.45 15 2 -1 o 0.811 0.656 0.00 1.25408 0.00 10 3 -7 o 6.921 5.025 180.00 1.25393 0.00 7 0 11 o 9.607 7.921 180.00 1.25386 0.00 17 0 -9 o 454.007 369.807 0.00 1.25311 0.02 13 0 -13 o 979.117 796.302 180.00 1.25279 0.12 18 0 -4 o 4.682 3.767 0.00 1.25267 0.00 15 1 3 o 22.711 17.262 180.00 1.25092 0.00 11 3 0 o 0.095 0.072 0.00 1.25020 0.00 9 3 -8 o 940.275 759.139 0.00 1.24955 0.14 15 2 -7 o 416.394 338.529 180.00 1.24947 0.11 0 2 12 o 13.230 10.731 0.00 1.24934 0.00 3 2 11 o 349.025 283.445 0.00 1.24919 0.11 10 3 2 o 18.429 14.703 180.00 1.24887 0.00 18 0 -6 o 779.530 641.869 180.00 1.24826 0.06 7 3 -9 o 44.286 36.112 0.00 1.24819 0.00 3 0 13 o 339.253 279.870 0.00 1.24808 0.05 0 3 9 o 141.450 115.471 180.00 1.24791 0.02 13 2 -10 o 4.524 3.979 180.00 1.24657 0.00 0 0 14 o 19.929 16.617 180.00 1.24537 0.00 11 3 -6 o 1450.194 1299.324 180.00 1.24430 0.55 12 1 -13 o 1.408 1.148 180.00 1.24374 0.00 8 1 10 o 325.598 294.193 0.00 1.24363 0.22 3 3 8 o 135.359 123.645 180.00 1.24349 0.04 14 2 -9 o 414.490 375.907 0.00 1.24345 0.05 17 1 -1 o 783.144 714.170 180.00 1.24332 0.11 2 1 -14 o 481.302 445.964 0.00 1.24267 0.10 7 2 9 o 11.855 11.012 0.00 1.24262 0.00 9 1 -14 o 150.486 141.135 0.00 1.24147 0.05 15 1 -11 o 566.558 541.734 0.00 1.24032 0.26 2 1 13 o 1141.619 1105.158 180.00 1.23970 0.18 5 3 7 o 66.887 65.213 0.00 1.23937 0.01 17 1 -8 o 103.825 102.267 0.00 1.23884 0.02 12 2 -11 o 57.865 63.076 180.00 1.23595 0.00 10 2 -12 o 46.153 49.513 180.00 1.23590 0.01 14 2 2 o 220.060 245.579 0.00 1.23503 0.07 16 1 -10 o 328.949 386.785 0.00 1.23360 0.12 14 1 -12 o 307.778 364.087 0.00 1.23345 0.15 15 2 0 o 22.763 28.719 0.00 1.23271 0.01 12 3 -3 o 114.107 141.929 0.00 1.23248 0.04 18 0 -2 o 6.174 7.538 0.00 1.23178 0.00 8 3 -9 o 799.044 992.514 180.00 1.23158 0.06 1 3 9 o 0.633 0.867 0.00 1.23124 0.00 12 1 7 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0.05 12 3 0 o 190.180 140.329 180.00 1.20386 0.04 2 2 12 o 4.056 2.800 0.00 1.20363 0.00 11 3 2 o 8.804 6.773 0.00 1.20351 0.00 13 2 -11 o -4.173 112.406 180.00 1.20344 0.00 3 4 -2 o 354.341 266.632 0.00 1.20344 0.07 7 3 -10 o 631.296 503.489 180.00 1.20173 0.05 1 4 -3 o 47.140 42.327 180.00 1.19989 0.01 15 2 -9 o 3.925 3.529 0.00 1.19974 0.00 18 1 -7 o 149.450 144.402 0.00 1.19896 0.02 8 2 9 o 265.270 257.538 180.00 1.19893 0.05 14 2 3 o 12.147 11.896 180.00 1.19876 0.00 3 4 1 o 216.994 212.933 0.00 1.19872 0.02 2 4 -3 o 43.640 43.086 0.00 1.19864 0.01 16 2 -7 o 3.009 3.027 180.00 1.19841 0.00 2 4 2 o 141.133 144.054 0.00 1.19815 0.00 0 4 3 o 67.682 72.381 180.00 1.19737 0.02 16 1 -11 o 6.754 7.450 0.00 1.19611 0.00 11 0 9 o 209.927 237.538 180.00 1.19601 0.01 4 4 -1 o 11.107 12.656 0.00 1.19583 0.00 15 1 -12 o 965.993 1112.072 0.00 1.19509 0.46 11 3 -8 o 1748.627 2019.379 180.00 1.19477 0.38 9 2 -13 o 212.498 244.706 0.00 1.19475 0.03 9 1 10 o 277.245 322.673 180.00 1.19463 0.19 18 1 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51.498 51.820 0.00 1.18689 0.00 7 1 -15 o 207.281 207.842 180.00 1.18668 0.06 17 0 -11 o 3249.772 3243.118 180.00 1.18634 0.18 3 4 2 o 339.925 338.290 0.00 1.18602 0.02 9 3 5 o 527.016 522.958 0.00 1.18567 0.12 16 1 3 o 0.643 268.708 180.00 1.18526 0.00 4 4 -3 o 10.115 9.988 180.00 1.18512 0.00 17 1 -10 o 471.841 466.230 180.00 1.18500 0.15 1 1 14 o 20.434 20.133 180.00 1.18468 0.00 4 4 1 o 143.488 141.636 0.00 1.18435 0.02 5 2 11 o 102.572 101.334 0.00 1.18411 0.03 13 3 -2 o 629.146 621.655 180.00 1.18389 0.14 12 3 1 o 62.395 61.580 180.00 1.18369 0.02 18 1 -8 o 573.357 568.072 0.00 1.18316 0.10 4 1 -15 o 1.009 1.002 180.00 1.18288 0.00 10 3 4 o 225.729 224.068 0.00 1.18289 0.02 12 1 -14 o 13.534 13.442 180.00 1.18275 0.01 15 0 -13 o 1493.628 1485.828 180.00 1.18252 0.14 8 3 6 o 257.827 257.014 180.00 1.18220 0.08 2 4 -4 o 13.082 13.055 0.00 1.18210 0.00 14 1 -13 o 221.008 220.502 0.00 1.18205 0.11 1 4 -4 o 98.169 98.060 0.00 1.18188 0.03 13 3 -5 o 737.395 737.640 180.00 1.18166 0.24 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92.108 93.315 180.00 1.16032 0.02 2 4 4 o 0.298 0.301 180.00 1.16023 0.00 2 1 14 o 16.751 17.023 180.00 1.16021 0.00 9 0 11 o 152.157 154.146 180.00 1.15985 0.01 17 1 2 o -4.552 31.854 0.00 1.15967 0.00 11 2 -13 o 1945.831 1966.752 0.00 1.15965 0.10 1 4 -5 o 242.833 245.265 0.00 1.15950 0.08 13 2 -12 o -106.378 2434.020 180.00 1.15934 0.00 12 3 2 o 105.294 106.210 0.00 1.15934 0.02 3 4 -5 o 605.376 609.752 180.00 1.15916 0.14 13 3 0 o 1511.440 1518.187 180.00 1.15891 0.36 10 1 -15 o 312.987 313.748 0.00 1.15869 0.10 2 3 -11 o 9.870 9.875 180.00 1.15856 0.00 6 4 -3 o 324.340 322.888 0.00 1.15823 0.03 13 1 -14 o 368.708 366.647 0.00 1.15812 0.17 6 4 0 o 394.992 387.863 180.00 1.15743 0.05 6 3 8 o 4.587 4.513 0.00 1.15740 0.00 16 2 -9 o 22.585 21.914 180.00 1.15695 0.00 5 2 -14 o 5.027 4.916 180.00 1.15690 0.00 1 2 13 o 70.626 68.768 180.00 1.15684 0.01 17 0 3 o 1762.358 1713.618 0.00 1.15684 0.15 6 2 -14 o 268.446 260.709 0.00 1.15676 0.03 16 1 -12 o 393.768 381.717 0.00 1.15671 0.17 2 3 10 o 0.523 0.508 180.00 1.15669 0.00 9 2 9 o 7.036 6.795 180.00 1.15616 0.00 18 1 0 o 1073.212 1022.049 180.00 1.15552 0.08 7 3 -11 o 83.728 79.467 180.00 1.15500 0.01 0 4 5 o 10.214 9.650 180.00 1.15460 0.00 19 1 -5 o 8.077 7.615 180.00 1.15452 0.00 13 3 -7 o 0.099 0.079 0.00 1.15404 0.00 4 4 -5 o 57.509 54.432 0.00 1.15392 0.01 4 2 -14 o 354.691 334.596 0.00 1.15367 0.06 7 2 -14 o 0.232 0.114 180.00 1.15326 0.00 17 1 -11 o 86.126 81.672 0.00 1.15295 0.03 5 4 2 o 27.155 25.730 0.00 1.15267 0.00 10 3 -10 o 436.580 413.722 180.00 1.15263 0.05 4 4 3 o 190.044 180.171 0.00 1.15251 0.01 19 1 -4 o 161.411 153.630 0.00 1.15242 0.02 17 2 -2 o 230.168 218.832 0.00 1.15235 0.02 19 1 -6 o 11.257 10.861 0.00 1.15158 0.00 6 2 11 o 188.533 184.491 0.00 1.15016 0.06 16 2 1 o 926.669 910.531 180.00 1.14990 0.22 17 2 -7 o 14.622 14.364 180.00 1.14980 0.00 15 1 -13 o 238.834 236.382 180.00 1.14945 0.11 1 3 -11 o 527.754 523.786 0.00 1.14920 0.11 6 0 -16 o 148.843 147.864 180.00 1.14912 0.01 4 2 12 o 331.729 329.579 180.00 1.14912 0.10 6 4 -4 o 21.145 21.202 0.00 1.14840 0.00 1 1 -15 o 78.091 78.495 180.00 1.14817 0.02 19 0 -1 o 1476.994 1488.408 0.00 1.14791 0.17 10 1 10 o 99.001 100.044 180.00 1.14769 0.07 3 2 -14 o 13.617 13.809 180.00 1.14716 0.00 6 4 1 o 225.386 228.893 0.00 1.14710 0.04 3 4 4 o 23.356 23.803 180.00 1.14663 0.00 8 2 -14 o 108.450 110.881 180.00 1.14649 0.01 14 3 -4 o 20.834 21.260 0.00 1.14647 0.00 1 4 5 o 16.263 16.693 0.00 1.14646 0.00 10 3 5 o 160.933 165.527 180.00 1.14609 0.03 14 3 -3 o 369.071 380.427 180.00 1.14586 0.08 16 1 4 o 16.865 17.472 180.00 1.14550 0.00 5 4 -5 o 75.199 77.841 0.00 1.14546 0.01 19 1 -3 o 0.122 0.190 180.00 1.14536 0.00 9 3 6 o 594.383 619.952 180.00 1.14495 0.21 5 1 13 o -23.903 425.302 0.00 1.14490 0.00 19 0 -9 o 269.407 282.564 0.00 1.14457 0.01 8 3 -11 o 509.694 536.085 180.00 1.14435 0.04 8 0 -16 o 854.443 901.802 180.00 1.14411 0.07 7 4 -2 o 24.789 26.114 180.00 1.14394 0.00 15 2 3 o 8.338 8.798 180.00 1.14386 0.00 19 1 -7 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2 -14 o 533.280 593.596 180.00 1.13661 0.05 13 3 -8 o 765.126 794.797 0.00 1.13368 0.19 2 4 -6 o 30.332 33.456 180.00 1.13620 0.01 4 0 14 o 1055.302 1167.384 0.00 1.13592 0.14 15 2 -11 o -3.330 97.614 0.00 1.13573 0.00 14 3 -6 o 40.363 40.904 180.00 1.13305 0.01 3 4 -6 o 284.007 311.175 180.00 1.13569 0.06 3 3 10 o 35.047 39.360 0.00 1.13566 0.01 2 4 5 o 71.063 77.726 0.00 1.13528 0.01 2 2 13 o 132.779 145.547 180.00 1.13526 0.03 7 4 -4 o 23.531 23.119 0.00 1.13241 0.00 6 4 2 o 26.050 25.472 0.00 1.13224 0.00 4 4 -6 o 8.091 7.842 0.00 1.13199 0.00 8 0 12 o 694.560 746.686 180.00 1.13460 0.06 17 2 -8 o 43.431 46.353 0.00 1.13460 0.01 13 0 -15 o 1055.224 1126.429 180.00 1.13438 0.11 12 3 3 o 23.609 22.392 0.00 1.13163 0.00 3 1 14 o 319.149 336.071 0.00 1.13399 0.02 11 3 -10 o 0.010 0.005 0.00 1.13118 0.00 19 1 -2 o 21.172 21.992 0.00 1.13360 0.00 1 4 -6 o 3.912 4.053 0.00 1.13352 0.00 4 4 4 o 291.086 254.317 180.00 1.13033 0.01 14 3 -1 o 624.343 541.017 180.00 1.13014 0.12 14 1 -14 o 74.858 70.986 180.00 1.13178 0.04 19 1 -8 o 23.407 21.665 180.00 1.13119 0.00 18 0 2 o 308.667 284.822 180.00 1.13109 0.03 0 1 15 o 106.603 96.192 180.00 1.13090 0.02 9 3 -11 o 36.900 33.160 0.00 1.13082 0.00 16 2 -10 o 7.878 7.102 180.00 1.13057 0.00 14 2 -12 o 0.451 265.178 0.00 1.13045 0.00 0 4 6 o 1379.118 1050.910 0.00 1.12772 0.38 18 1 1 o 49.906 42.860 0.00 1.13020 0.00 7 3 8 o 36.904 27.747 0.00 1.12616 0.00 9 1 11 o 0.799 0.645 0.00 1.12859 0.00 12 2 7 o 18.396 14.933 0.00 1.12834 0.00 5 4 -6 o 1403.501 1006.746 180.00 1.12522 0.14 7 4 1 o 4.998 3.483 180.00 1.12505 0.00 13 2 6 o 140.706 102.470 180.00 1.12720 0.01 20 0 -6 o 96.458 69.208 180.00 1.12705 0.01 11 2 8 o 96.952 71.349 0.00 1.12409 0.02 10 2 -14 o 10.533 7.596 180.00 1.12388 0.00 10 0 -16 o 9.393 5.733 0.00 1.12647 0.00 17 1 3 o -38.343 1593.556 0.00 1.12583 0.00 20 0 -4 o 965.465 696.550 180.00 1.12541 0.10 16 2 2 o 2.453 1.845 0.00 1.12269 0.00 12 1 -15 o 145.219 105.733 0.00 1.12522 0.06 8 4 -2 o 1258.608 969.559 180.00 1.12260 0.11 1 2 -14 o 0.758 0.060 0.00 1.12502 0.00 1 3 11 o 106.622 85.566 0.00 1.12180 0.02 3 4 5 o 90.553 73.741 180.00 1.12133 0.01 14 2 5 o 1254.904 1084.665 180.00 1.12071 0.10 8 4 -3 o 20.669 18.084 0.00 1.12060 0.00 8 4 -1 o 22.659 20.381 180.00 1.11996 0.00 5 2 12 o 84.136 77.280 180.00 1.11987 0.03 7 4 -5 o 2016.427 1853.995 0.00 1.11978 0.18 14 1 7 o 171.997 158.167 0.00 1.11974 0.04 17 2 0 o 53.456 49.010 180.00 1.11959 0.01 14 3 -7 o 9.210 8.304 0.00 1.11952 0.00 13 1 8 o 164.888 156.395 180.00 1.11930 0.04 1 4 6 o 0.244 0.225 180.00 1.11893 0.00 17 1 -12 o 0.026 0.006 180.00 1.11873 0.00 2 0 -16 o 603.588 530.441 0.00 1.12056 0.03 7 1 -16 o 437.572 440.325 180.00 1.11790 0.11 19 1 -1 o 61.447 62.441 180.00 1.11758 0.01 5 3 -12 o 482.222 498.034 0.00 1.11676 0.08 13 3 2 o 14.949 15.461 0.00 1.11665 0.00 5 1 -16 o 2.197 2.294 0.00 1.11645 0.00 16 1 -13 o 3.319 3.431 180.00 1.11636 0.00 4 3 -12 o 749.534 777.620 0.00 1.11621 0.17 6 1 -16 o 0.202 0.167 0.00 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1 15 o 47.026 48.666 180.00 1.11137 0.01 4 1 -16 o 118.201 121.891 180.00 1.11120 0.03 18 1 -11 o 236.077 243.329 180.00 1.11115 0.07 17 0 -13 o 234.417 242.814 180.00 1.11073 0.02 20 0 -8 o -0.024 0.011 0.00 1.11024 0.00 0 2 14 o 67.296 69.762 180.00 1.10992 0.01 7 4 2 o 184.728 192.145 180.00 1.10986 0.04 18 2 -3 o 269.289 280.090 180.00 1.10984 0.03 13 3 -9 o 229.071 237.934 180.00 1.10983 0.05 6 3 9 o -30.873 562.118 180.00 1.10930 0.00 15 2 4 o 429.300 447.459 0.00 1.10916 0.06 3 4 -7 o 38.607 40.313 0.00 1.10907 0.01 18 0 -12 o 525.916 551.435 180.00 1.10891 0.03 7 3 -12 o 217.726 228.747 180.00 1.10881 0.02 11 2 -14 o 313.567 329.892 0.00 1.10858 0.01 2 4 -7 o 69.023 72.749 0.00 1.10839 0.02 10 3 6 o 241.836 254.910 180.00 1.10802 0.08 12 3 -10 o 1263.255 1335.374 180.00 1.10790 0.21 2 4 6 o 307.805 327.920 180.00 1.10737 0.06 9 1 -16 o 610.437 648.815 0.00 1.10731 0.16 11 3 5 o 527.508 561.496 0.00 1.10725 0.06 4 4 -7 o 111.299 118.948 0.00 1.10678 0.02 4 1 14 o -22.044 545.207 0.00 1.10651 0.00 2 3 -12 o 498.503 536.335 0.00 1.10616 0.14 15 3 -4 o 79.079 85.863 180.00 1.10614 0.02 7 0 13 o 17.236 19.103 180.00 1.10580 0.00 20 0 -2 o 506.507 550.210 0.00 1.10556 0.06 8 1 12 o 7.243 7.885 0.00 1.10529 0.00 13 1 -15 o 18.401 19.891 0.00 1.10509 0.01 16 1 5 o 72.205 79.139 0.00 1.10503 0.01 4 4 5 o 200.385 218.551 180.00 1.10492 0.00 1 4 -7 o 299.414 327.778 0.00 1.10475 0.08 15 3 -3 o 108.785 119.064 0.00 1.10445 0.02 2 3 11 o 818.643 898.288 0.00 1.10437 0.13 15 1 -14 o 2.466 2.665 180.00 1.10421 0.00 18 2 -7 o 544.531 601.754 0.00 1.10372 0.09 9 3 7 o 41.147 45.100 180.00 1.10370 0.01 15 3 -5 o 272.419 301.193 180.00 1.10339 0.07 8 4 -5 o 83.566 91.834 180.00 1.10315 0.01 7 4 -6 o 102.149 112.848 0.00 1.10312 0.01 3 1 -16 o 33.153 36.860 0.00 1.10309 0.01 11 1 10 o 38.615 42.837 0.00 1.10293 0.02 16 0 -14 o 54.910 60.432 180.00 1.10281 0.00 18 1 2 o -7.407 111.848 0.00 1.10205 0.00 14 3 -8 o 72.577 80.751 180.00 1.10204 0.02 19 0 1 o 91.609 103.063 0.00 1.10191 0.01 5 4 -7 o 320.115 358.177 180.00 1.10158 0.04 16 2 -11 o 1.523 143.803 180.00 1.10150 0.00 12 3 4 o 65.371 73.118 0.00 1.10140 0.00 8 4 1 o 41.098 46.081 180.00 1.10130 0.01 15 2 -12 o -40.586 619.240 0.00 1.10070 0.00 8 3 -12 o 135.956 150.855 180.00 1.10051 0.01 9 2 10 o 95.600 106.163 0.00 1.10034 0.03 18 2 -2 o 9.442 10.424 180.00 1.10026 0.00 20 1 -5 o 148.231 163.750 180.00 1.09973 0.02 9 4 -2 o 463.808 511.071 180.00 1.09949 0.05 9 4 -3 o 36.341 39.219 0.00 1.09874 0.00 15 3 -2 o 6.279 6.905 180.00 1.09838 0.00 14 0 8 o 256.788 278.148 0.00 1.09831 0.02 20 1 -6 o 688.792 743.038 180.00 1.09831 0.08 0 4 7 o 221.521 238.954 0.00 1.09825 0.05 12 0 -16 o 25.539 27.421 180.00 1.09789 0.00 19 1 0 o 127.787 136.871 0.00 1.09784 0.01 10 1 -16 o 267.770 285.558 180.00 1.09777 0.08 17 2 1 o 1.063 1.121 0.00 1.09764 0.00 19 0 -11 o 923.880 975.582 180.00 1.09748 0.03 14 3 1 o 265.803 279.567 0.00 1.09723 0.07 15 0 7 o 311.962 324.899 180.00 1.09696 0.03 1 3 -12 o 2.118 2.209 0.00 1.09688 0.00 20 1 -4 o 488.281 508.094 180.00 1.09679 0.07 11 3 -11 o 13.738 14.178 180.00 1.09641 0.00 15 3 -6 o 10.826 11.125 180.00 1.09630 0.00 6 2 -15 o 316.030 321.459 0.00 1.09598 0.04 9 4 -1 o 674.530 684.247 0.00 1.09589 0.06 5 2 -15 o 223.765 221.763 0.00 1.09498 0.03 13 0 9 o 77.254 75.838 0.00 1.09468 0.01 8 3 8 o 290.719 284.746 180.00 1.09444 0.03 19 1 -10 o 2533.999 2466.516 0.00 1.09419 0.57 7 2 -15 o 577.043 560.899 0.00 1.09412 0.06 9 4 -4 o 320.932 309.452 180.00 1.09367 0.05 6 4 -7 o 780.733 751.296 180.00 1.09359 0.08 3 0 15 o 3797.711 3643.881 0.00 1.09343 0.41 3 4 6 o 87.882 84.112 180.00 1.09330 0.01 16 2 3 o 314.626 299.639 180.00 1.09300 0.07 17 2 -10 o 73.011 69.007 180.00 1.09281 0.00 20 1 -7 o 456.711 432.983 180.00 1.09258 0.05 1 2 14 o 2.915 2.716 180.00 1.09255 0.00 2 1 -16 o 100.503 94.660 180.00 1.09230 0.02 18 2 -8 o 443.124 417.474 180.00 1.09136 0.06 4 2 -15 o 272.155 255.774 0.00 1.09114 0.04 6 4 4 o 0.224 0.159 0.00 1.09112 0.00 12 2 -14 o 6.998 6.559 0.00 1.09104 0.00 7 4 3 o 28.257 26.367 0.00 1.09096 0.01 13 3 3 o 17.406 16.351 0.00 1.09073 0.00 16 0 6 o 11.705 10.905 0.00 1.09069 0.00 14 2 -13 o -2.609 13.915 180.00 1.09049 0.00 17 1 4 o 29.269 27.714 180.00 1.09049 0.00 2 1 15 o 367.696 347.273 0.00 1.08999 0.05 6 2 12 o 58.027 55.017 0.00 1.08991 0.02 0 0 16 o 455.950 432.706 0.00 1.08970 0.03 20 1 -3 o 12.459 11.699 0.00 1.08960 0.00 9 3 -12 o 104.829 99.612 0.00 1.08956 0.01 8 2 -15 o 394.533 373.458 180.00 1.08943 0.04 1 4 7 o 572.859 545.030 180.00 1.08903 0.11 8 4 -6 o 45.003 43.317 180.00 1.08830 0.01 5 3 10 o 145.314 139.223 180.00 1.08829 0.01 15 3 -1 o 206.375 198.107 0.00 1.08814 0.04 9 4 0 o 1117.817 1075.741 0.00 1.08806 0.10 10 1 11 o 572.907 553.152 180.00 1.08766 0.30 4 2 13 o 387.237 375.975 180.00 1.08699 0.11 18 2 -1 o 187.926 182.544 180.00 1.08669 0.02 5 4 5 o -2.577 18.718 0.00 1.08641 0.00 12 0 10 o 180.805 176.076 0.00 1.08623 0.01 8 4 2 o 70.124 68.232 0.00 1.08594 0.02 15 0 -15 o 286.328 279.479 0.00 1.08575 0.03 11 1 -16 o 82.497 80.466 0.00 1.08567 0.03 15 3 -7 o 33.555 32.657 180.00 1.08513 0.01 0 3 12 o 219.611 214.173 0.00 1.08504 0.04 3 3 11 o 5.325 5.203 0.00 1.08494 0.00 3 2 -15 o 0.174 0.169 0.00 1.08454 0.00 9 4 -5 o 444.338 431.273 180.00 1.08444 0.09 13 2 7 o 424.658 408.426 0.00 1.08342 0.03 13 3 -10 o 905.209 867.146 180.00 1.08322 0.17 14 1 -15 o 47.918 46.008 0.00 1.08322 0.02 17 1 -13 o 534.930 512.482 0.00 1.08319 0.22 7 4 -7 o 393.702 375.882 0.00 1.08298 0.05 20 1 -8 o 780.074 742.805 0.00 1.08274 0.10 9 2 -15 o 47.253 44.584 180.00 1.08202 0.00 8 2 11 o 43.709 41.415 180.00 1.08179 0.01 18 1 -12 o 422.073 395.772 180.00 1.08150 0.15 7 0 -17 o 49.521 46.821 0.00 1.08142 0.00 12 2 8 o 68.136 63.877 0.00 1.08133 0.01 14 3 -9 o 27.854 26.202 180.00 1.08117 0.01 14 2 6 o 140.761 131.672 180.00 1.08072 0.01 7 3 9 o -3.005 72.738 0.00 1.08063 0.00 3 4 -8 o 95.363 89.097 0.00 1.08008 0.02 17 0 5 o 45.793 42.954 180.00 1.07975 0.00 1 1 -16 o 202.274 190.840 180.00 1.07906 0.04 4 4 -8 o 79.259 74.783 180.00 1.07903 0.01 7 1 13 o -49.136 1445.430 0.00 1.07862 0.00 20 1 -2 o 16.856 16.098 180.00 1.07839 0.00 2 4 -8 o 18.370 17.706 180.00 1.07838 0.00 5 1 14 o -1.955 58.085 0.00 1.07818 0.00 5 0 -17 o 1886.642 1820.259 0.00 1.07797 0.15 20 0 -10 o 528.564 517.992 0.00 1.07732 0.02 2 4 7 o 0.946 0.923 180.00 1.07730 0.00 4 4 6 o 81.695 80.685 180.00 1.07702 0.01 9 4 1 o 187.705 188.779 0.00 1.07626 0.02 12 3 -11 o 256.274 257.812 0.00 1.07623 0.04 10 3 -12 o 20.654 20.788 180.00 1.07620 0.00 16 1 -14 o 86.513 87.739 180.00 1.07584 0.04 14 3 2 o 108.330 110.399 0.00 1.07563 0.02 10 4 -3 o 498.279 509.925 180.00 1.07539 0.09 2 2 -15 o 584.178 599.139 180.00 1.07533 0.06 18 2 -9 o 470.389 482.353 180.00 1.07529 0.05 5 4 -8 o 69.028 70.744 180.00 1.07526 0.01 10 4 -2 o 218.992 225.597 0.00 1.07503 0.03 19 1 1 o 604.112 621.646 180.00 1.07500 0.01 11 2 9 o 16.496 17.091 0.00 1.07455 0.00 21 0 -5 o 1693.963 1755.011 0.00 1.07453 0.16 6 0 14 o 1.549 1.693 180.00 1.07438 0.00 15 3 0 o 608.407 632.542 0.00 1.07409 0.14 1 4 -8 o 145.358 151.248 180.00 1.07397 0.03 9 0 -17 o 526.315 547.583 180.00 1.07393 0.04 15 2 5 o 36.509 37.909 0.00 1.07335 0.00 11 0 11 o 8.181 8.448 180.00 1.07327 0.00 2 2 14 o 1.886 1.961 0.00 1.07327 0.00 17 2 2 o 1240.225 1287.292 180.00 1.07285 0.26 10 2 -15 o 156.248 160.656 180.00 1.07207 0.01 18 1 3 o -20.415 603.197 0.00 1.07183 0.00 11 3 6 o 28.954 29.792 0.00 1.07176 0.01 10 4 -4 o 57.026 58.303 0.00 1.07168 0.01 14 1 8 o 62.185 63.696 0.00 1.07166 0.01 13 2 -14 o 1.005 8.023 0.00 1.07161 0.00 9 4 -6 o 69.902 71.283 0.00 1.07137 0.01 12 1 -16 o 545.380 554.408 180.00 1.07127 0.19 19 1 -11 o 47.225 47.692 0.00 1.07089 0.01 1 3 12 o 704.762 712.155 0.00 1.07088 0.11 10 4 -1 o 43.546 43.774 0.00 1.07062 0.00 16 2 -12 o -0.117 27.767 180.00 1.07050 0.00 15 1 7 o 2.870 2.873 180.00 1.07041 0.00 15 3 -8 o 121.798 121.547 0.00 1.07023 0.04 20 0 0 o 1247.671 1245.069 0.00 1.07022 0.12 8 4 -7 o 308.198 306.340 180.00 1.06999 0.04 21 0 -7 o 155.878 154.823 0.00 1.06994 0.01 18 2 0 o 5.508 5.438 0.00 1.06955 0.00 10 3 7 o 802.511 790.319 0.00 1.06947 0.30 12 3 5 o 1600.423 1574.674 0.00 1.06943 0.08 20 1 -9 o 10.493 10.281 180.00 1.06911 0.00 7 4 4 o 12.616 12.342 180.00 1.06896 0.00 6 4 -8 o 14.461 14.049 180.00 1.06886 0.00 19 2 -5 o 121.009 117.996 180.00 1.06876 0.01 5 3 -13 o 3.700 3.600 0.00 1.06870 0.00 9 1 12 o 172.865 167.570 180.00 1.06838 0.06 13 1 9 o 29.390 28.490 0.00 1.06829 0.01 6 3 -13 o 397.695 384.239 180.00 1.06756 0.04 17 2 -11 o 344.120 331.868 0.00 1.06752 0.00 4 3 -13 o 583.921 562.716 0.00 1.06719 0.12 8 4 3 o 2.187 2.123 180.00 1.06719 0.00 3 1 15 o 27.384 26.426 180.00 1.06713 0.00 16 3 -4 o 8.492 8.156 0.00 1.06712 0.00 19 2 -4 o 69.377 66.714 180.00 1.06710 0.01 0 4 8 o 52.431 50.638 0.00 1.06696 0.01 19 2 -6 o 36.130 34.781 0.00 1.06642 0.01 6 4 5 o 142.228 137.730 0.00 1.06614 0.00 16 3 -5 o 1156.089 1123.239 180.00 1.06568 0.26 15 2 -13 o -8.556 226.136 180.00 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1.06080 0.01 11 3 -12 o 497.871 512.659 0.00 1.06071 0.08 12 1 10 o 23.996 24.749 180.00 1.06043 0.01 16 3 -6 o 22.525 23.198 180.00 1.06031 0.01 19 2 -7 o 2.167 2.228 180.00 1.06016 0.00 15 1 -15 o 658.169 677.860 180.00 1.05999 0.31 7 4 -8 o 141.411 145.649 180.00 1.05996 0.02 11 2 -15 o 15.802 16.264 180.00 1.05977 0.00 7 2 12 o 376.855 388.181 0.00 1.05963 0.13 5 4 6 o 57.972 59.539 180.00 1.05884 0.00 16 3 -2 o 96.333 98.444 180.00 1.05813 0.01 14 3 -10 o 5.402 5.503 180.00 1.05753 0.00 1 4 8 o 8.565 8.743 0.00 1.05749 0.00 8 3 -13 o 142.731 145.799 180.00 1.05745 0.02 15 3 1 o 412.813 419.927 0.00 1.05667 0.11 2 3 -13 o 0.567 0.619 180.00 1.05638 0.00 10 0 12 o 813.023 826.472 0.00 1.05630 0.03 11 0 -17 o 653.814 664.681 0.00 1.05615 0.05 18 2 -10 o 20.167 20.501 180.00 1.05601 0.00 7 1 -17 o 49.138 49.983 0.00 1.05595 0.01 6 1 -17 o 504.295 512.036 0.00 1.05562 0.12 9 4 -7 o 303.291 307.950 180.00 1.05489 0.06 13 1 -16 o 6.183 6.264 0.00 1.05485 0.00 2 3 12 o 168.903 171.589 180.00 1.05469 0.03 13 3 -11 o 8.129 8.266 180.00 1.05456 0.00 17 1 5 o 251.327 255.670 0.00 1.05440 0.02 8 1 -17 o 11.667 11.922 180.00 1.05372 0.00 5 1 -17 o 6.791 6.948 0.00 1.05274 0.00 10 4 -6 o 32.770 33.537 180.00 1.05266 0.01 3 2 14 o 78.082 79.536 0.00 1.05241 0.02 20 1 -10 o 139.201 142.116 0.00 1.05214 0.03 19 2 -2 o 11.469 11.779 180.00 1.05210 0.00 15 3 -9 o 30.485 31.077 180.00 1.05207 0.01 8 3 9 o -0.324 154.533 0.00 1.05153 0.00 14 3 3 o 111.114 113.337 0.00 1.05141 0.01 16 3 -7 o 157.867 160.738 180.00 1.05117 0.04 2 0 16 o 666.592 677.172 180.00 1.05098 0.06 11 4 -3 o 22.513 22.975 0.00 1.05092 0.01 14 2 -14 o -0.658 66.976 0.00 1.05065 0.00 10 4 1 o 111.173 112.680 0.00 1.05032 0.01 18 1 -13 o 12.274 12.410 0.00 1.05027 0.00 19 2 -8 o 909.454 920.728 0.00 1.05017 0.12 0 2 15 o 1.167 1.178 0.00 1.04994 0.00 21 0 -9 o 258.836 261.502 180.00 1.04983 0.01 19 1 2 o -0.375 20.077 180.00 1.04970 0.00 11 4 -2 o 3.808 3.838 180.00 1.04961 0.00 21 1 -5 o 552.798 557.013 180.00 1.04954 0.07 4 4 -9 o 19.332 19.448 180.00 1.04944 0.00 3 4 -9 o 14.037 14.150 0.00 1.04942 0.00 6 1 14 o -0.473 0.028 180.00 1.04940 0.00 18 2 1 o 1175.994 1183.141 180.00 1.04938 0.21 21 1 -6 o 0.133 0.134 180.00 1.04928 0.00 9 1 -17 o 358.823 359.798 180.00 1.04897 0.09 8 4 -8 o 16.221 16.233 0.00 1.04876 0.00 9 3 -13 o 78.881 78.892 0.00 1.04870 0.01 11 4 -4 o 301.215 300.518 180.00 1.04844 0.08 11 1 11 o 16.680 16.637 0.00 1.04836 0.01 9 2 11 o 4.486 4.457 0.00 1.04809 0.00 16 3 -1 o 14.498 14.378 0.00 1.04799 0.00 4 1 -17 o 36.321 35.930 180.00 1.04736 0.01 4 4 7 o 951.329 939.805 180.00 1.04733 0.13 1 3 -13 o 115.319 113.946 0.00 1.04731 0.02 17 1 -14 o 5.112 5.040 0.00 1.04703 0.00 5 4 -9 o 442.055 435.182 180.00 1.04695 0.07 2 4 -9 o 162.944 160.312 180.00 1.04688 0.03 1 1 16 o 581.691 570.061 0.00 1.04639 0.10 21 1 -4 o 50.174 48.908 0.00 1.04601 0.01 17 2 3 o 118.491 115.730 0.00 1.04588 0.02 2 4 8 o 744.297 725.425 180.00 1.04576 0.13 8 1 13 o 4.133 3.995 180.00 1.04575 0.00 19 0 3 o 80.902 78.907 0.00 1.04565 0.01 8 4 4 o 78.587 76.586 180.00 1.04559 0.01 20 1 0 o 101.316 98.369 0.00 1.04552 0.01 12 2 -15 o 154.703 150.143 0.00 1.04539 0.00 21 1 -7 o 612.684 594.864 180.00 1.04525 0.07 19 1 -12 o 103.219 100.200 0.00 1.04524 0.03 11 4 -1 o 67.837 65.705 180.00 1.04452 0.01 7 4 5 o 127.998 123.458 0.00 1.04447 0.00 12 3 -12 o 378.870 364.015 180.00 1.04337 0.06 4 1 15 o 1.461 1.382 0.00 1.04316 0.00 9 4 3 o 17.207 16.502 0.00 1.04243 0.00 11 4 -5 o 5.530 5.319 0.00 1.04222 0.00 6 4 -9 o 0.101 0.098 0.00 1.04200 0.00 1 4 -9 o 242.827 233.111 180.00 1.04189 0.03 10 1 -17 o 14.647 13.968 0.00 1.04182 0.00 5 3 11 o 28.978 27.793 180.00 1.04149 0.00 5 0 15 o 484.187 465.116 180.00 1.04122 0.06 14 2 7 o 444.660 427.328 180.00 1.04099 0.03 18 0 -14 o 284.929 273.464 180.00 1.04087 0.02 13 2 8 o 4.453 4.218 180.00 1.04064 0.00 19 0 -13 o 40.870 39.376 0.00 1.04062 0.00 1 0 -17 o 406.816 391.159 180.00 1.04035 0.02 18 1 4 o 125.961 121.060 0.00 1.04024 0.00 17 2 -12 o -0.535 11.120 0.00 1.04018 0.00 6 2 -16 o 9.639 9.277 0.00 1.04016 0.00 3 1 -17 o 273.206 263.032 180.00 1.03960 0.05 7 2 -16 o 10.707 10.324 0.00 1.03951 0.00 19 2 -1 o 0.821 0.785 180.00 1.03926 0.00 6 4 6 o 26.378 25.274 0.00 1.03909 0.00 21 1 -3 o 65.988 63.618 0.00 1.03880 0.01 16 3 -8 o 535.168 515.978 180.00 1.03856 0.15 5 2 -16 o 15.147 14.682 180.00 1.03835 0.00 16 2 -13 o -22.026 200.716 0.00 1.03827 0.00 10 4 -7 o 5.260 5.052 0.00 1.03796 0.00 10 3 -13 o 528.211 508.706 0.00 1.03772 0.08 21 1 -8 o 96.712 92.961 180.00 1.03758 0.01 15 2 6 o 104.281 100.360 0.00 1.03711 0.01 21 0 -1 o 1393.207 1339.611 180.00 1.03689 0.14 3 3 12 o 54.620 52.416 0.00 1.03677 0.01 19 2 -9 o 8.907 8.583 0.00 1.03678 0.00 14 1 -16 o 88.135 84.512 180.00 1.03673 0.04 7 3 10 o -7.230 60.126 180.00 1.03653 0.00 8 2 -16 o 14.778 14.220 180.00 1.03644 0.00 12 3 6 o 66.286 63.674 180.00 1.03640 0.01 15 3 2 o 409.755 393.067 0.00 1.03638 0.10 12 2 9 o 376.081 361.787 0.00 1.03607 0.07 0 3 13 o 77.969 74.998 180.00 1.03604 0.01 9 0 13 o 99.709 95.778 180.00 1.03589 0.01 11 4 0 o 60.220 58.058 180.00 1.03584 0.00 11 3 7 o 334.821 321.844 180.00 1.03581 0.12 16 1 -15 o 275.207 264.097 0.00 1.03575 0.13 9 4 -8 o 3.336 3.186 0.00 1.03547 0.00 10 4 2 o 76.715 74.068 0.00 1.03508 0.01 7 4 -9 o 425.940 411.990 180.00 1.03469 0.05 6 2 13 o 178.657 172.634 0.00 1.03458 0.06 0 4 9 o 5.207 5.024 0.00 1.03453 0.00 16 3 0 o 246.099 238.831 0.00 1.03447 0.05 1 2 15 o 138.061 134.324 180.00 1.03426 0.02 4 2 -16 o 19.041 18.526 180.00 1.03412 0.00 18 2 -11 o 280.358 273.136 180.00 1.03408 0.01 17 0 -15 o 0.833 0.826 0.00 1.03312 0.00 13 3 5 o 88.726 89.085 180.00 1.03282 0.00 10 1 12 o 5.023 5.119 180.00 1.03253 0.00 11 4 -6 o 285.817 290.017 180.00 1.03248 0.09 11 1 -17 o 3.388 3.446 180.00 1.03239 0.00 20 0 -12 o 171.702 174.448 180.00 1.03238 0.01 20 1 -11 o 18.146 18.568 0.00 1.03231 0.01 3 4 8 o 17.816 18.406 180.00 1.03201 0.00 14 3 -11 o 151.666 157.782 180.00 1.03175 0.03 15 3 -10 o 483.008 511.405 0.00 1.03119 0.11 10 3 8 o 8.081 8.602 0.00 1.03105 0.00 9 2 -16 o 21.772 23.559 180.00 1.03099 0.00 4 2 14 o 93.163 101.116 180.00 1.03033 0.02 5 4 7 o 50.681 56.402 0.00 1.02965 0.01 2 1 -17 o 6.159 7.060 180.00 1.02962 0.00 13 0 -17 o 47.147 52.171 180.00 1.02957 0.00 17 3 -4 o 2.458 2.685 180.00 1.02957 0.00 8 2 12 o 0.436 0.476 180.00 1.02935 0.00 17 3 -5 o 13.073 14.586 0.00 1.02921 0.00 13 2 -15 o -0.063 0.014 180.00 1.02919 0.00 16 2 5 o 121.046 134.242 0.00 1.02914 0.02 15 2 -14 o -5.428 125.216 180.00 1.02848 0.00 21 1 -2 o 47.344 52.342 0.00 1.02815 0.01 3 2 -16 o 47.221 51.916 180.00 1.02757 0.01 2 1 16 o 44.030 48.011 180.00 1.02756 0.01 11 2 10 o 1115.927 1211.878 180.00 1.02745 0.40 15 1 8 o 73.959 79.817 0.00 1.02725 0.01 18 2 2 o 0.208 0.221 0.00 1.02673 0.00 21 1 -9 o 1065.763 1120.272 0.00 1.02649 0.15 17 3 -3 o 20.808 21.718 180.00 1.02636 0.00 22 0 -6 o 139.977 144.098 0.00 1.02589 0.01 14 1 9 o 8.745 8.908 180.00 1.02571 0.00 12 4 -3 o 51.973 53.029 0.00 1.02569 0.01 17 3 -6 o 51.016 51.197 0.00 1.02528 0.01 14 3 4 o 24.451 24.468 0.00 1.02519 0.00 8 4 -9 o 345.824 345.903 180.00 1.02518 0.04 1 4 9 o 9.649 9.593 0.00 1.02498 0.00 20 2 -5 o 16.990 16.834 0.00 1.02486 0.00 20 1 1 o 16.365 16.170 0.00 1.02481 0.00 11 3 -13 o 9.953 9.808 180.00 1.02472 0.00 16 1 7 o 5.845 5.753 180.00 1.02471 0.00 13 3 -12 o 431.802 422.246 180.00 1.02451 0.08 12 4 -4 o 354.875 344.638 0.00 1.02429 0.11 11 4 1 o 140.121 134.449 180.00 1.02382 0.01 20 2 -6 o 133.704 128.081 0.00 1.02371 0.02 20 0 2 o 33.937 32.190 180.00 1.02365 0.00 12 4 -2 o 495.360 473.215 0.00 1.02355 0.08 19 2 0 o 142.484 135.416 0.00 1.02333 0.02 10 2 -16 o 0.892 0.824 180.00 1.02327 0.00 16 3 -9 o 48.949 46.036 0.00 1.02286 0.01 5 3 -14 o 0.218 0.187 180.00 1.02283 0.00 1 3 13 o 137.150 129.606 180.00 1.02278 0.02 6 3 -14 o 5.595 5.296 0.00 1.02273 0.00 19 1 3 o -10.777 98.362 0.00 1.02258 0.00 10 4 -8 o 292.158 277.295 180.00 1.02034 0.06 20 2 -4 o 0.025 0.021 180.00 1.02248 0.00 9 3 9 o 29.721 28.066 180.00 1.02231 0.00 17 3 -2 o 27.511 26.467 180.00 1.01968 0.00 8 4 5 o 187.730 176.210 0.00 1.02173 0.01 11 4 -7 o 234.750 224.553 180.00 1.01949 0.07 12 4 -5 o 120.692 115.725 180.00 1.01939 0.04 9 4 4 o 22.133 20.737 0.00 1.02136 0.00 22 0 -4 o 103.278 97.089 0.00 1.02101 0.01 12 1 -17 o 253.445 239.282 0.00 1.02089 0.09 4 4 -10 o 184.505 178.534 0.00 1.01867 0.04 4 3 -14 o 22.499 21.387 180.00 1.02059 0.00 7 1 14 o -8.463 133.223 180.00 1.02047 0.00 8 0 -18 o 102.593 96.717 180.00 1.02040 0.01 19 2 -10 o 281.807 267.619 180.00 1.02037 0.02 6 0 -18 o 214.435 204.118 180.00 1.02032 0.02 7 3 -14 o 0.848 0.811 180.00 1.02031 0.00 7 4 6 o 270.906 264.289 0.00 1.01810 0.00 13 1 10 o 8.292 7.944 180.00 1.02016 0.00 16 3 1 o 1.480 1.451 180.00 1.01798 0.00 12 4 -1 o 247.075 241.615 0.00 1.01794 0.03 17 3 -7 o 84.774 82.941 180.00 1.01791 0.02 3 4 -10 o 241.050 236.452 180.00 1.01775 0.05 5 4 -10 o 53.496 52.871 180.00 1.01728 0.01 10 4 3 o 6.829 6.763 0.00 1.01701 0.00 20 2 -7 o 12.636 12.154 0.00 1.01906 0.00 2 2 -16 o 2.006 1.941 180.00 1.01883 0.00 20 2 -3 o 9.442 9.417 0.00 1.01664 0.00 4 4 8 o 767.404 766.755 0.00 1.01649 0.15 5 1 15 o -12.098 108.382 0.00 1.01843 0.00 17 1 6 o 13.516 13.183 0.00 1.01819 0.00 6 3 11 o -19.645 239.087 180.00 1.01815 0.00 18 1 -14 o 302.685 295.516 180.00 1.01811 0.12 16 0 -16 o 246.499 240.941 0.00 1.01789 0.02 19 1 -13 o 70.109 68.500 180.00 1.01787 0.03 8 3 -14 o 49.321 49.945 180.00 1.01561 0.01 1 1 -17 o 32.034 31.428 0.00 1.01761 0.01 4 3 12 o 82.247 80.957 180.00 1.01743 0.01 17 2 4 o 0.905 0.891 180.00 1.01736 0.00 15 1 -16 o 196.317 194.005 180.00 1.01720 0.09 10 2 11 o 259.511 264.917 180.00 1.01507 0.12 2 2 15 o 303.333 300.912 0.00 1.01696 0.04 22 0 -8 o 40.761 40.554 180.00 1.01672 0.00 21 0 -11 o 2.219 2.209 0.00 1.01671 0.00 2 4 -10 o 29.331 30.057 180.00 1.01454 0.00 21 1 -1 o 1.952 2.060 0.00 1.01437 0.00 3 3 -14 o 109.917 110.496 180.00 1.01608 0.03 15 3 3 o 133.205 137.470 180.00 1.01378 0.02 9 4 -9 o 171.131 176.872 0.00 1.01364 0.02 6 4 -10 o 891.098 920.313 180.00 1.01362 0.13 11 2 -16 o 24.982 25.917 0.00 1.01345 0.00 2 4 9 o 57.079 58.804 0.00 1.01340 0.01 21 1 -10 o 50.968 52.373 0.00 1.01232 0.01 14 2 -15 o 3.396 33.131 0.00 1.01145 0.00 17 2 -13 o -7.909 199.108 0.00 1.01143 0.00 9 1 13 o 272.220 281.612 180.00 1.01344 0.06 10 0 -18 o 5.414 5.513 0.00 1.01134 0.00 12 4 -6 o 34.795 35.304 0.00 1.01115 0.01 4 0 -18 o 787.768 798.153 0.00 1.01108 0.05 20 2 -8 o 114.994 116.422 180.00 1.01106 0.01 17 1 -15 o 98.178 99.171 0.00 1.01085 0.05 12 1 11 o 224.475 226.383 0.00 1.01078 0.11 8 0 14 o 218.258 225.249 180.00 1.01269 0.02 6 4 7 o 35.874 36.073 0.00 1.01059 0.00 20 1 -12 o 0.181 0.181 0.00 1.01015 0.00 18 2 -12 o 2.385 2.377 0.00 1.01005 0.00 12 3 -13 o 22.118 21.987 0.00 1.00995 0.00 8 3 10 o -24.644 563.482 0.00 1.00988 0.00 17 3 -1 o 0.147 0.145 0.00 1.00972 0.00 2 3 -14 o 4.784 4.724 0.00 1.00937 0.00 1 0 17 o 776.361 764.271 0.00 1.00922 0.06 1 4 -10 o 0.690 0.672 180.00 1.00912 0.00 12 4 0 o 963.828 946.877 180.00 1.00902 0.10 11 4 2 o 232.552 227.958 0.00 1.00881 0.03 9 3 -14 o 144.304 141.126 180.00 1.00873 0.02 15 3 -11 o 32.678 31.907 180.00 1.00811 0.01 1 2 -16 o 11.649 11.347 180.00 1.00807 0.00 18 1 5 o 824.349 802.166 180.00 1.00790 0.06 2 3 13 o 205.994 200.193 0.00 1.00778 0.03 7 4 -10 o 70.465 68.658 0.00 1.00776 0.01 7 2 13 o 15.412 15.005 180.00 1.00770 0.00 13 1 -17 o 107.948 104.728 0.00 1.00752 0.04 20 2 -2 o 75.335 73.169 180.00 1.00752 0.01 3 1 16 o 30.891 30.099 180.00 1.00747 0.00 5 2 14 o 115.592 112.072 0.00 1.00735 0.03 17 3 -8 o 17.455 16.859 180.00 1.00732 0.01 4 0 16 o 217.971 211.752 180.00 1.00707 0.02 _reflns_number_total 1973 _reflns_limit_h_min 0 _reflns_limit_h_max 22 _reflns_limit_k_min 0 _reflns_limit_k_max 4 _reflns_limit_l_min -18 _reflns_limit_l_max 17 _reflns_d_resolution_high 1.007 _reflns_d_resolution_low 16.286 #--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--# data_ACM_formI _database_code_depnum_ccdc_archive 'CCDC 902230' #TrackingRef '14759_web_deposit_cif_file_0_AshwiniNangia_1350520027.ACM_FormI.cif' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C21 H18 Cl N O6' _chemical_formula_weight 415.81 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M P21 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y+1/2, -z' _cell_length_a 11.858(3) _cell_length_b 4.8452(9) _cell_length_c 16.785(3) _cell_angle_alpha 90.00 _cell_angle_beta 102.47(2) _cell_angle_gamma 90.00 _cell_volume 941.6(3) _cell_formula_units_Z 2 _cell_measurement_temperature 298(2) _cell_measurement_reflns_used 557 _cell_measurement_theta_min 3.3348 _cell_measurement_theta_max 26.3116 _exptl_crystal_description needle _exptl_crystal_colour colorless _exptl_crystal_size_max 0.40 _exptl_crystal_size_mid 0.10 _exptl_crystal_size_min 0.08 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.467 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 432 _exptl_absorpt_coefficient_mu 0.243 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.88964 _exptl_absorpt_correction_T_max 1.00000 _exptl_absorpt_process_details SADABS _exptl_special_details ; ? ; _diffrn_ambient_temperature 298(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'Xcalibur, Eos, Gemini' _diffrn_measurement_method '\w scans' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 3561 _diffrn_reflns_av_R_equivalents 0.0630 _diffrn_reflns_av_sigmaI/netI 0.1925 _diffrn_reflns_limit_h_min -14 _diffrn_reflns_limit_h_max 10 _diffrn_reflns_limit_k_min -6 _diffrn_reflns_limit_k_max 5 _diffrn_reflns_limit_l_min -20 _diffrn_reflns_limit_l_max 19 _diffrn_reflns_theta_min 3.34 _diffrn_reflns_theta_max 26.37 _reflns_number_total 2846 _reflns_number_gt 1298 _reflns_threshold_expression >2sigma(I) _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics ? _computing_publication_material ? _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0292P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment mixed _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881' _refine_ls_abs_structure_Flack 0.0(2) _refine_ls_number_reflns 2846 _refine_ls_number_parameters 268 _refine_ls_number_restraints 1 _refine_ls_R_factor_all 0.1903 _refine_ls_R_factor_gt 0.0882 _refine_ls_wR_factor_ref 0.1598 _refine_ls_wR_factor_gt 0.1219 _refine_ls_goodness_of_fit_ref 0.998 _refine_ls_restrained_S_all 0.998 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Cl1 Cl -0.2432(2) 1.1007(7) -0.05933(17) 0.0801(11) Uani 1 1 d . . . O6 O 0.3540(5) 0.0842(14) 0.5459(3) 0.0448(17) Uani 1 1 d . . . O3 O 0.5624(5) 0.8330(12) 0.2575(3) 0.0351(16) Uani 1 1 d . . . C11 C 0.2669(8) 0.5989(19) 0.3886(5) 0.031(2) Uani 1 1 d . . . O2 O 0.4145(6) 0.5418(15) 0.2272(4) 0.059(2) Uani 1 1 d . . . C12 C 0.1464(8) 0.5799(19) 0.3759(5) 0.033(2) Uani 1 1 d . . . C14 C 0.1606(8) 0.2369(17) 0.4768(5) 0.038(2) Uani 1 1 d . . . H14 H 0.1259 0.1178 0.5077 0.045 Uiso 1 1 calc R . . O5 O 0.5791(6) 0.6420(14) 0.0541(4) 0.055(2) Uani 1 1 d . . . O1 O -0.0849(6) 0.7507(17) 0.3258(4) 0.079(3) Uani 1 1 d . . . C17 C 0.3018(8) -0.100(2) 0.5945(5) 0.051(3) Uani 1 1 d . . . H17A H 0.2521 0.0028 0.6218 0.077 Uiso 1 1 calc R . . H17B H 0.3610 -0.1891 0.6342 0.077 Uiso 1 1 calc R . . H17C H 0.2573 -0.2367 0.5599 0.077 Uiso 1 1 calc R . . C2 C -0.2006(8) 1.1759(19) 0.1034(7) 0.050(3) Uani 1 1 d . . . H2 H -0.2560 1.3149 0.0937 0.059 Uiso 1 1 calc R . . C15 C 0.2819(8) 0.2448(17) 0.4899(5) 0.032(2) Uani 1 1 d . . . C13 C 0.0930(8) 0.4002(19) 0.4195(5) 0.042(3) Uani 1 1 d . . . H13 H 0.0129 0.3904 0.4102 0.050 Uiso 1 1 calc R . . O4 O 0.5066(8) 1.0092(16) 0.1054(5) 0.053(2) Uani 1 1 d . . . C21 C 0.5596(8) 0.775(2) 0.1094(6) 0.036(2) Uani 1 1 d . . . C6 C -0.0885(9) 0.830(2) 0.0535(6) 0.045(3) Uani 1 1 d . . . H6 H -0.0702 0.7329 0.0101 0.054 Uiso 1 1 calc R . . N1 N 0.0999(6) 0.7684(15) 0.3106(4) 0.0350(19) Uani 1 1 d . . . C18 C 0.4124(7) 0.8900(19) 0.3278(5) 0.038(3) Uani 1 1 d . . . H18A H 0.4113 1.0852 0.3148 0.046 Uiso 1 1 calc R . . H18B H 0.4639 0.8644 0.3807 0.046 Uiso 1 1 calc R . . C16 C 0.3342(8) 0.4256(16) 0.4459(5) 0.031(2) Uani 1 1 d . . . H16 H 0.4143 0.4318 0.4544 0.037 Uiso 1 1 calc R . . C4 C -0.0632(8) 0.9063(19) 0.1985(6) 0.038(3) Uani 1 1 d . . . C20 C 0.6117(8) 0.6915(18) 0.1981(5) 0.041(3) Uani 1 1 d . . . H20A H 0.6012 0.4945 0.2037 0.050 Uiso 1 1 calc R . . H20B H 0.6941 0.7275 0.2095 0.050 Uiso 1 1 calc R . . C19 C 0.4576(8) 0.7347(19) 0.2658(5) 0.032(2) Uani 1 1 d . . . C3 C -0.1463(8) 1.102(2) 0.1823(6) 0.043(3) Uani 1 1 d . . . H3 H -0.1680 1.1902 0.2258 0.052 Uiso 1 1 calc R . . C7 C -0.0149(9) 0.804(2) 0.2847(6) 0.045(3) Uani 1 1 d . . . C9 C 0.1812(7) 1.119(2) 0.2246(5) 0.045(3) Uani 1 1 d . . . H9A H 0.2527 1.2184 0.2305 0.068 Uiso 1 1 calc R . . H9B H 0.1211 1.2440 0.2313 0.068 Uiso 1 1 calc R . . H9C H 0.1617 1.0375 0.1713 0.068 Uiso 1 1 calc R . . C10 C 0.2943(7) 0.8017(17) 0.3329(5) 0.027(2) Uani 1 1 d . . . C1 C -0.1692(8) 1.034(2) 0.0393(6) 0.050(3) Uani 1 1 d . . . C8 C 0.1940(8) 0.8996(18) 0.2873(5) 0.031(2) Uani 1 1 d . . . C5 C -0.0331(8) 0.765(2) 0.1340(6) 0.047(3) Uani 1 1 d . . . H5 H 0.0235 0.6291 0.1442 0.057 Uiso 1 1 calc R . . H4 H 0.469(13) 1.07(4) 0.066(8) 0.18(8) Uiso 1 1 d . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Cl1 0.062(2) 0.122(3) 0.0503(17) 0.024(2) -0.0008(16) 0.020(2) O6 0.051(4) 0.045(4) 0.035(4) 0.008(4) 0.003(3) 0.002(4) O3 0.035(4) 0.046(4) 0.026(3) -0.005(3) 0.011(3) -0.015(3) C11 0.033(6) 0.030(5) 0.034(5) -0.015(5) 0.015(4) 0.000(5) O2 0.057(5) 0.068(5) 0.059(5) -0.034(5) 0.033(4) -0.031(4) C12 0.040(6) 0.033(5) 0.025(5) -0.002(5) 0.004(4) -0.009(6) C14 0.032(6) 0.048(6) 0.036(6) 0.011(5) 0.012(5) -0.001(5) O5 0.069(5) 0.066(5) 0.032(4) -0.026(4) 0.016(4) 0.003(4) O1 0.039(5) 0.142(8) 0.061(5) 0.037(6) 0.022(4) 0.011(5) C17 0.067(8) 0.051(7) 0.042(6) 0.010(6) 0.027(6) 0.023(6) C2 0.029(6) 0.045(7) 0.073(8) 0.024(6) 0.007(6) 0.005(5) C15 0.036(6) 0.035(6) 0.026(5) 0.007(5) 0.008(5) 0.015(5) C13 0.033(6) 0.063(7) 0.034(6) 0.009(6) 0.016(5) -0.002(6) O4 0.074(6) 0.051(5) 0.036(4) -0.002(4) 0.020(4) 0.013(4) C21 0.033(6) 0.037(6) 0.044(6) 0.002(6) 0.022(5) -0.018(6) C6 0.051(7) 0.043(6) 0.044(6) -0.005(6) 0.013(5) 0.012(6) N1 0.027(5) 0.043(5) 0.036(5) 0.000(4) 0.009(4) -0.007(4) C18 0.036(6) 0.054(7) 0.029(5) -0.004(5) 0.016(5) -0.004(5) C16 0.025(5) 0.031(5) 0.039(6) -0.016(5) 0.009(5) -0.011(5) C4 0.024(6) 0.042(6) 0.050(7) 0.001(5) 0.011(5) 0.002(5) C20 0.041(6) 0.061(8) 0.025(5) 0.010(5) 0.014(5) 0.016(5) C19 0.038(6) 0.031(5) 0.027(5) 0.002(5) 0.008(5) -0.010(5) C3 0.044(6) 0.031(5) 0.059(7) 0.014(6) 0.022(5) 0.018(6) C7 0.055(8) 0.040(6) 0.040(6) -0.007(5) 0.010(6) -0.005(6) C9 0.035(6) 0.054(6) 0.048(6) 0.005(6) 0.011(5) -0.026(6) C10 0.030(6) 0.024(5) 0.031(5) -0.008(4) 0.017(4) -0.002(5) C1 0.032(6) 0.068(8) 0.049(7) 0.012(7) 0.008(5) -0.018(6) C8 0.026(5) 0.030(5) 0.037(5) 0.007(5) 0.007(5) 0.009(5) C5 0.034(6) 0.054(7) 0.048(7) 0.012(6) -0.003(5) 0.011(6) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Cl1 C1 1.728(10) . ? O6 C15 1.368(9) . ? O6 C17 1.437(9) . ? O3 C19 1.366(10) . ? O3 C20 1.435(9) . ? C11 C16 1.391(11) . ? C11 C12 1.402(11) . ? C11 C10 1.441(11) . ? O2 C19 1.188(10) . ? C12 C13 1.377(11) . ? C12 N1 1.442(10) . ? C14 C13 1.364(11) . ? C14 C15 1.407(11) . ? C14 H14 0.9300 . ? O5 C21 1.193(10) . ? O1 C7 1.216(11) . ? C17 H17A 0.9600 . ? C17 H17B 0.9600 . ? C17 H17C 0.9600 . ? C2 C3 1.390(12) . ? C2 C1 1.393(12) . ? C2 H2 0.9300 . ? C15 C16 1.377(11) . ? C13 H13 0.9300 . ? O4 C21 1.292(12) . ? O4 H4 0.77(14) . ? C21 C20 1.537(11) . ? C6 C1 1.364(13) . ? C6 C5 1.405(12) . ? C6 H6 0.9300 . ? N1 C7 1.348(11) . ? N1 C8 1.411(10) . ? C18 C19 1.476(11) . ? C18 C10 1.484(11) . ? C18 H18A 0.9700 . ? C18 H18B 0.9700 . ? C16 H16 0.9300 . ? C4 C3 1.351(11) . ? C4 C5 1.390(11) . ? C4 C7 1.520(12) . ? C20 H20A 0.9700 . ? C20 H20B 0.9700 . ? C3 H3 0.9300 . ? C9 C8 1.481(11) . ? C9 H9A 0.9600 . ? C9 H9B 0.9600 . ? C9 H9C 0.9600 . ? C10 C8 1.353(11) . ? C5 H5 0.9300 . ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag C15 O6 C17 117.5(7) . . ? C19 O3 C20 114.9(7) . . ? C16 C11 C12 118.7(9) . . ? C16 C11 C10 133.2(8) . . ? C12 C11 C10 108.1(8) . . ? C13 C12 C11 122.1(9) . . ? C13 C12 N1 131.3(8) . . ? C11 C12 N1 106.5(8) . . ? C13 C14 C15 121.3(9) . . ? C13 C14 H14 119.3 . . ? C15 C14 H14 119.3 . . ? O6 C17 H17A 109.5 . . ? O6 C17 H17B 109.5 . . ? H17A C17 H17B 109.5 . . ? O6 C17 H17C 109.5 . . ? H17A C17 H17C 109.5 . . ? H17B C17 H17C 109.5 . . ? C3 C2 C1 117.6(9) . . ? C3 C2 H2 121.2 . . ? C1 C2 H2 121.2 . . ? O6 C15 C16 116.3(8) . . ? O6 C15 C14 123.9(8) . . ? C16 C15 C14 119.8(8) . . ? C14 C13 C12 118.3(9) . . ? C14 C13 H13 120.9 . . ? C12 C13 H13 120.9 . . ? C21 O4 H4 123(10) . . ? O5 C21 O4 127.4(9) . . ? O5 C21 C20 120.4(10) . . ? O4 C21 C20 111.8(9) . . ? C1 C6 C5 119.6(9) . . ? C1 C6 H6 120.2 . . ? C5 C6 H6 120.2 . . ? C7 N1 C8 131.1(8) . . ? C7 N1 C12 121.4(8) . . ? C8 N1 C12 107.5(7) . . ? C19 C18 C10 112.6(8) . . ? C19 C18 H18A 109.1 . . ? C10 C18 H18A 109.1 . . ? C19 C18 H18B 109.1 . . ? C10 C18 H18B 109.1 . . ? H18A C18 H18B 107.8 . . ? C15 C16 C11 119.8(8) . . ? C15 C16 H16 120.1 . . ? C11 C16 H16 120.1 . . ? C3 C4 C5 119.2(9) . . ? C3 C4 C7 121.9(9) . . ? C5 C4 C7 118.3(9) . . ? O3 C20 C21 114.1(7) . . ? O3 C20 H20A 108.7 . . ? C21 C20 H20A 108.7 . . ? O3 C20 H20B 108.7 . . ? C21 C20 H20B 108.7 . . ? H20A C20 H20B 107.6 . . ? O2 C19 O3 120.8(9) . . ? O2 C19 C18 127.4(9) . . ? O3 C19 C18 111.8(8) . . ? C4 C3 C2 122.7(9) . . ? C4 C3 H3 118.6 . . ? C2 C3 H3 118.6 . . ? O1 C7 N1 123.7(9) . . ? O1 C7 C4 116.6(10) . . ? N1 C7 C4 119.7(9) . . ? C8 C9 H9A 109.5 . . ? C8 C9 H9B 109.5 . . ? H9A C9 H9B 109.5 . . ? C8 C9 H9C 109.5 . . ? H9A C9 H9C 109.5 . . ? H9B C9 H9C 109.5 . . ? C8 C10 C11 108.2(8) . . ? C8 C10 C18 126.3(8) . . ? C11 C10 C18 125.5(8) . . ? C6 C1 C2 121.2(9) . . ? C6 C1 Cl1 119.7(9) . . ? C2 C1 Cl1 118.9(8) . . ? C10 C8 N1 109.7(8) . . ? C10 C8 C9 126.6(8) . . ? N1 C8 C9 123.7(8) . . ? C4 C5 C6 119.7(9) . . ? C4 C5 H5 120.2 . . ? C6 C5 H5 120.2 . . ? _diffrn_measured_fraction_theta_max 0.995 _diffrn_reflns_theta_full 26.37 _diffrn_measured_fraction_theta_full 0.995 _refine_diff_density_max 0.297 _refine_diff_density_min -0.265 _refine_diff_density_rms 0.064