data_global _audit_creation_date 2018-01-18 _audit_creation_method 'by CrystalStructure 4.2.5' _audit_update_record ? #============================================================================== # PROCESSING SUMMARY (IUCr Office Use Only) _journal_date_recd_electronic ? _journal_date_from_coeditor ? _journal_date_accepted ? _journal_coeditor_code ? #============================================================================== # SUBMISSION DETAILS _publ_contact_author_name 'ENTER NAME' _publ_contact_author_email 'ENTER EMAIL ADDRESS' _publ_contact_author_fax 'ENTER FAX NUMBER' _publ_contact_author_phone 'ENTER PHONE NUMBER' _publ_contact_letter ; ENTER TEXT OF LETTER ; _publ_requested_journal 'ENTER JOURNAL NAME HERE' _publ_requested_category 'CHOOSE FI FM FO CI CM CO or AD' _publ_requested_coeditor_name ? #============================================================================== # TITLE AND AUTHOR LIST _publ_section_title ; ENTER SECTION TITLE ; _publ_section_title_footnote ; ENTER FOOTNOTE TO TITLE OF PAPER ; loop_ _publ_author_name _publ_author_footnote _publ_author_address ' FIRST AUTHORS NAME ' ; FIRST AUTHORS FOOTNOTES ; ; FIRST AUTHORS ADDRESS ; _publ_section_synopsis ; ENTER SYNOPSIS ; #============================================================================== # TEXT _publ_section_abstract ; ENTER ABSTRACT ; _publ_section_comment ; ENTER TEXT ; _publ_section_references ; ENTER OTHER REFERENCES Rigaku (2017). CrystalStructure. Version 4.2.5. Rigaku Corporation, Tokyo, Japan. Sheldrick, G. M. (2014). Acta Cryst. (2014). A70, C1437. SHELXT Version 2014/5 Sheldrick, G.M. (2008) SHELXL Version 2017/1, Acta Cryst. A64, 112-122. Rigaku (1995). ABSCOR. Rigaku Corporation, Tokyo, Japan. ; _publ_section_figure_captions ; ENTER FIGURE CAPTIONS ; _publ_section_exptl_prep ; ENTER COMPOUND PREPARATION DETAILS ; _publ_section_exptl_refinement ; ENTER SPECIAL DETAILS OF THE REFINEMENT ; #============================================================================== data_TY_09_055_02 #============================================================================== # CHEMICAL DATA _chemical_formula_sum 'C17 H14 N6 O2' _chemical_formula_moiety 'C17 H14 N6 O2' _chemical_formula_weight 334.34 _chemical_melting_point ? #============================================================================== # CRYSTAL DATA _space_group_crystal_system orthorhombic _space_group_name_H-M_alt 'P b c a' _space_group_name_Hall '-P 2ac 2ab' _space_group_IT_number 61 loop_ _space_group_symop_id _space_group_symop_operation_xyz 1 '+X,+Y,+Z' 2 '1/2+X,1/2-Y,-Z' 3 '-X,1/2+Y,1/2-Z' 4 '1/2-X,-Y,1/2+Z' 5 '-X,-Y,-Z' 6 '-1/2-X,-1/2+Y,+Z' 7 '+X,-1/2-Y,-1/2+Z' 8 '-1/2+X,+Y,-1/2-Z' #------------------------------------------------------------------------------ _cell_length_a 8.17797(15) _cell_length_b 14.6247(3) _cell_length_c 27.2033(5) _cell_angle_alpha 90.0000 _cell_angle_beta 90.0000 _cell_angle_gamma 90.0000 _cell_volume 3253.52(10) _cell_formula_units_Z 8 _cell_measurement_reflns_used 39936 _cell_measurement_theta_min 2.60 _cell_measurement_theta_max 27.51 _cell_measurement_temperature 103 #------------------------------------------------------------------------------ _exptl_crystal_description prism _exptl_crystal_colour colorless _exptl_crystal_size_max 0.190 _exptl_crystal_size_mid 0.060 _exptl_crystal_size_min 0.030 _exptl_crystal_density_diffrn 1.365 _exptl_crystal_density_meas ? _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1392.00 _exptl_absorpt_coefficient_mu 0.095 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details 'ABSCOR (Rigaku, 1995)' _exptl_absorpt_correction_T_min 0.890 _exptl_absorpt_correction_T_max 0.997 #============================================================================== # EXPERIMENTAL DATA _diffrn_ambient_temperature 103 _diffrn_radiation_type 'Mo K\a' _diffrn_radiation_wavelength 0.71075 _diffrn_measurement_device_type 'Rigaku R-AXIS RAPID' _diffrn_measurement_method \w _diffrn_detector_area_resol_mean 10.000 _diffrn_reflns_number 52120 _diffrn_reflns_av_R_equivalents 0.0341 _diffrn_reflns_theta_max 27.483 _diffrn_reflns_theta_min 2.786 _diffrn_reflns_theta_full 25.242 _diffrn_measured_fraction_theta_max 1.000 _diffrn_measured_fraction_theta_full 1.000 _diffrn_reflns_Laue_measured_fraction_max 1.000 _diffrn_reflns_Laue_measured_fraction_full 1.000 _diffrn_reflns_point_group_measured_fraction_max 1.000 _diffrn_reflns_point_group_measured_fraction_full 1.000 _diffrn_reflns_limit_h_min -10 _diffrn_reflns_limit_h_max 10 _diffrn_reflns_limit_k_min -18 _diffrn_reflns_limit_k_max 18 _diffrn_reflns_limit_l_min -35 _diffrn_reflns_limit_l_max 35 _diffrn_standards_number 0 _diffrn_standards_interval_count . _diffrn_standards_decay_% ? _reflns_number_total 3740 _reflns_number_gt 3304 _reflns_threshold_expression F^2^>2.0\s(F^2^) _reflns_Friedel_coverage 0.000 _reflns_Friedel_fraction_max . _reflns_Friedel_fraction_full . #============================================================================== # REFINEMENT DATA _refine_special_details ; Refinement was performed using all reflections. The weighted R-factor (wR) and goodness of fit (S) are based on F^2^. R-factor (gt) are based on F. The threshold expression of F^2^ > 2.0 sigma(F^2^) is used only for calculating R-factor (gt). ; _refine_ls_structure_factor_coef Fsqd _refine_ls_R_factor_all 0.0432 _refine_ls_R_factor_gt 0.0367 _refine_ls_wR_factor_ref 0.0897 _refine_ls_wR_factor_gt 0.0866 _refine_ls_number_restraints 0 _refine_ls_hydrogen_treatment constr _refine_ls_number_reflns 3740 _refine_ls_number_parameters 226 _refine_ls_goodness_of_fit_ref 1.034 _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'w = 1/[\s^2^(Fo^2^)+(0.0395P)^2^+1.5993P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_hydrogens geom _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _refine_ls_shift/su_max 0.000 _refine_diff_density_max 0.35 _refine_diff_density_min -0.22 _refine_ls_extinction_method none _refine_ls_extinction_coef ? 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 for Crystallography (Vol. C, Tables 4.2.6.8 and 6.1.1.4) ; 'H' 'H' 0.0000 0.0000 ; International Tables for Crystallography (Vol. C, Table 6.1.1.4) ; 'N' 'N' 0.0061 0.0033 ; International Tables for Crystallography (Vol. C, Tables 4.2.6.8 and 6.1.1.4) ; 'O' 'O' 0.0106 0.0060 ; International Tables for Crystallography (Vol. C, Tables 4.2.6.8 and 6.1.1.4) ; #============================================================================== # ATOMIC COORDINATES AND THERMAL PARAMETERS loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group O1 O 1.00235(10) 0.58600(5) 0.38620(3) 0.02043(18) Uani 1 1 d . . . . . O2 O 0.05884(10) 0.81443(6) 0.40408(4) 0.0264(2) Uani 1 1 d . . . . . N1 N 0.77417(11) 0.65929(6) 0.36067(3) 0.0155(2) Uani 1 1 d . . . . . N2 N 0.93867(13) 0.60458(7) 0.48375(4) 0.0247(2) Uani 1 1 d . . . . . N3 N 1.08691(13) 0.62194(7) 0.48472(4) 0.0231(2) Uani 1 1 d . . . . . N4 N 1.22315(14) 0.63122(9) 0.49011(4) 0.0322(3) Uani 1 1 d . . . . . N5 N 0.05681(13) 0.98570(7) 0.43269(4) 0.0213(2) Uani 1 1 d . . . . . N6 N -0.06609(14) 1.00911(8) 0.44540(4) 0.0291(3) Uani 1 1 d . . . . . C1 C 0.88097(13) 0.63175(7) 0.39593(4) 0.0159(2) Uani 1 1 d . . . . . C2 C 0.84524(14) 0.66077(8) 0.44882(4) 0.0180(2) Uani 1 1 d . . . . . H2A H 0.874701 0.725920 0.453197 0.022 Uiso 1 1 calc R U . . . H2B H 0.726863 0.654125 0.455555 0.022 Uiso 1 1 calc R U . . . C3 C 0.62876(13) 0.71092(7) 0.37104(4) 0.0150(2) Uani 1 1 d . . . . . C4 C 0.64019(13) 0.79984(7) 0.38885(4) 0.0163(2) Uani 1 1 d . . . . . H4 H 0.744380 0.826876 0.394084 0.020 Uiso 1 1 calc R U . . . C5 C 0.49900(14) 0.84893(8) 0.39896(4) 0.0163(2) Uani 1 1 d . . . . . H5 H 0.506645 0.909616 0.411207 0.020 Uiso 1 1 calc R U . . . C6 C 0.34581(13) 0.80952(7) 0.39121(4) 0.0158(2) Uani 1 1 d . . . . . C7 C 0.33558(14) 0.72092(8) 0.37225(4) 0.0190(2) Uani 1 1 d . . . . . H7 H 0.231557 0.694078 0.366468 0.023 Uiso 1 1 calc R U . . . C8 C 0.47634(14) 0.67210(8) 0.36185(4) 0.0185(2) Uani 1 1 d . . . . . H8 H 0.468986 0.612240 0.348476 0.022 Uiso 1 1 calc R U . . . C9 C 0.18917(14) 0.85631(8) 0.40412(4) 0.0176(2) Uani 1 1 d . . . . . C10 C 0.19689(14) 0.95186(8) 0.41710(5) 0.0209(2) Uani 1 1 d . . . . . H10 H 0.294056 0.987164 0.414641 0.025 Uiso 1 1 calc R U . . . C11 C 0.81100(14) 0.63947(8) 0.30881(4) 0.0185(2) Uani 1 1 d . . . . . H11A H 0.930941 0.633168 0.305215 0.022 Uiso 1 1 calc R U . . . H11B H 0.776626 0.692585 0.288749 0.022 Uiso 1 1 calc R U . . . C12 C 0.73079(14) 0.55444(8) 0.28806(4) 0.0174(2) Uani 1 1 d . . . . . C13 C 0.70394(15) 0.54968(9) 0.23752(4) 0.0227(3) Uani 1 1 d . . . . . H13 H 0.733684 0.599864 0.217223 0.027 Uiso 1 1 calc R U . . . C14 C 0.63438(17) 0.47262(9) 0.21655(5) 0.0283(3) Uani 1 1 d . . . . . H14 H 0.617613 0.470101 0.182019 0.034 Uiso 1 1 calc R U . . . C15 C 0.58923(16) 0.39927(9) 0.24570(5) 0.0270(3) Uani 1 1 d . . . . . H15 H 0.540737 0.346654 0.231314 0.032 Uiso 1 1 calc R U . . . C16 C 0.61527(15) 0.40310(8) 0.29612(5) 0.0238(3) Uani 1 1 d . . . . . H16 H 0.584169 0.353101 0.316361 0.029 Uiso 1 1 calc R U . . . C17 C 0.68693(15) 0.48020(8) 0.31697(4) 0.0203(2) Uani 1 1 d . . . . . H17 H 0.706043 0.482040 0.351404 0.024 Uiso 1 1 calc R U . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 O1 0.0163(4) 0.0168(4) 0.0282(4) -0.0037(3) -0.0019(3) 0.0033(3) O2 0.0153(4) 0.0196(4) 0.0444(6) -0.0016(4) 0.0041(4) -0.0008(3) N1 0.0143(4) 0.0156(4) 0.0167(4) -0.0017(4) 0.0007(4) 0.0015(4) N2 0.0231(5) 0.0270(5) 0.0239(5) 0.0053(4) -0.0040(4) 0.0006(4) N3 0.0256(6) 0.0241(5) 0.0196(5) -0.0035(4) -0.0050(4) 0.0049(4) N4 0.0255(6) 0.0391(7) 0.0320(6) -0.0086(5) -0.0095(5) 0.0066(5) N5 0.0221(5) 0.0178(5) 0.0240(5) -0.0005(4) -0.0009(4) 0.0035(4) N6 0.0259(6) 0.0274(6) 0.0341(6) 0.0013(5) 0.0055(5) 0.0073(5) C1 0.0144(5) 0.0112(5) 0.0222(5) -0.0005(4) -0.0008(4) -0.0020(4) C2 0.0176(5) 0.0170(5) 0.0195(5) 0.0002(4) -0.0017(4) 0.0002(4) C3 0.0145(5) 0.0145(5) 0.0158(5) 0.0009(4) 0.0006(4) 0.0023(4) C4 0.0136(5) 0.0153(5) 0.0199(5) 0.0019(4) -0.0006(4) -0.0016(4) C5 0.0177(5) 0.0128(5) 0.0185(5) 0.0000(4) 0.0001(4) -0.0001(4) C6 0.0152(5) 0.0155(5) 0.0167(5) 0.0015(4) 0.0006(4) 0.0017(4) C7 0.0144(5) 0.0186(5) 0.0239(6) -0.0015(4) -0.0016(4) -0.0019(4) C8 0.0183(5) 0.0156(5) 0.0217(5) -0.0024(4) -0.0010(4) -0.0005(4) C9 0.0152(5) 0.0186(5) 0.0190(5) 0.0019(4) 0.0002(4) 0.0010(4) C10 0.0152(5) 0.0189(6) 0.0286(6) -0.0026(5) 0.0011(5) 0.0028(4) C11 0.0198(5) 0.0185(5) 0.0172(5) 0.0007(4) 0.0037(4) 0.0015(4) C12 0.0159(5) 0.0185(5) 0.0178(5) -0.0019(4) 0.0002(4) 0.0056(4) C13 0.0257(6) 0.0245(6) 0.0179(5) 0.0015(4) 0.0003(5) 0.0066(5) C14 0.0344(7) 0.0317(7) 0.0186(5) -0.0061(5) -0.0069(5) 0.0087(6) C15 0.0286(6) 0.0226(6) 0.0299(6) -0.0094(5) -0.0082(5) 0.0048(5) C16 0.0266(6) 0.0178(5) 0.0269(6) -0.0016(5) -0.0026(5) 0.0020(5) C17 0.0243(6) 0.0194(5) 0.0171(5) -0.0013(4) -0.0015(5) 0.0034(5) #============================================================================== _computing_data_collection 'RAPID AUTO (Rigaku, ????)' _computing_cell_refinement 'RAPID AUTO' _computing_data_reduction 'RAPID AUTO' _computing_structure_solution 'SHELXT Version 2014/5 (Sheldrick, 2014)' _computing_structure_refinement 'SHELXL Version 2017/1 (Sheldrick, 2008)' _computing_publication_material 'CrystalStructure 4.2.5 (Rigaku, 2017)' _computing_molecular_graphics 'CrystalStructure 4.2.5' #============================================================================== # MOLECULAR GEOMETRY _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 O1 C1 1.2259(13) . ? O2 C9 1.2292(14) . ? N1 C1 1.3584(15) . ? N1 C3 1.4365(14) . ? N1 C11 1.4715(14) . ? N2 N3 1.2390(15) . ? N2 C2 1.4703(15) . ? N3 N4 1.1319(15) . ? N5 N6 1.1167(15) . ? N5 C10 1.3179(15) . ? C1 C2 1.5284(16) . ? C2 H2A 0.9900 . ? C2 H2B 0.9900 . ? C3 C4 1.3910(15) . ? C3 C8 1.3923(15) . ? C4 C5 1.3872(15) . ? C4 H4 0.9500 . ? C5 C6 1.3951(15) . ? C5 H5 0.9500 . ? C6 C7 1.3971(16) . ? C6 C9 1.4942(15) . ? C7 C8 1.3837(16) . ? C7 H7 0.9500 . ? C8 H8 0.9500 . ? C9 C10 1.4428(16) . ? C10 H10 0.9500 . ? C11 C12 1.5150(16) . ? C11 H11A 0.9900 . ? C11 H11B 0.9900 . ? C12 C17 1.3878(16) . ? C12 C13 1.3941(16) . ? C13 C14 1.3854(18) . ? C13 H13 0.9500 . ? C14 C15 1.3840(19) . ? C14 H14 0.9500 . ? C15 C16 1.3893(18) . ? C15 H15 0.9500 . ? C16 C17 1.3916(17) . ? C16 H16 0.9500 . ? C17 H17 0.9500 . ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag C1 N1 C3 123.33(9) . . ? C1 N1 C11 119.14(9) . . ? C3 N1 C11 117.47(9) . . ? N3 N2 C2 114.06(10) . . ? N4 N3 N2 172.10(13) . . ? N6 N5 C10 175.62(12) . . ? O1 C1 N1 122.01(10) . . ? O1 C1 C2 120.64(10) . . ? N1 C1 C2 117.35(9) . . ? N2 C2 C1 110.72(9) . . ? N2 C2 H2A 109.5 . . ? C1 C2 H2A 109.5 . . ? N2 C2 H2B 109.5 . . ? C1 C2 H2B 109.5 . . ? H2A C2 H2B 108.1 . . ? C4 C3 C8 120.26(10) . . ? C4 C3 N1 120.28(10) . . ? C8 C3 N1 119.45(10) . . ? C5 C4 C3 119.80(10) . . ? C5 C4 H4 120.1 . . ? C3 C4 H4 120.1 . . ? C4 C5 C6 120.24(10) . . ? C4 C5 H5 119.9 . . ? C6 C5 H5 119.9 . . ? C5 C6 C7 119.53(10) . . ? C5 C6 C9 123.03(10) . . ? C7 C6 C9 117.40(10) . . ? C8 C7 C6 120.27(10) . . ? C8 C7 H7 119.9 . . ? C6 C7 H7 119.9 . . ? C7 C8 C3 119.85(10) . . ? C7 C8 H8 120.1 . . ? C3 C8 H8 120.1 . . ? O2 C9 C10 121.38(10) . . ? O2 C9 C6 121.00(10) . . ? C10 C9 C6 117.62(10) . . ? N5 C10 C9 113.85(11) . . ? N5 C10 H10 123.1 . . ? C9 C10 H10 123.1 . . ? N1 C11 C12 115.48(9) . . ? N1 C11 H11A 108.4 . . ? C12 C11 H11A 108.4 . . ? N1 C11 H11B 108.4 . . ? C12 C11 H11B 108.4 . . ? H11A C11 H11B 107.5 . . ? C17 C12 C13 118.63(11) . . ? C17 C12 C11 122.89(10) . . ? C13 C12 C11 118.46(10) . . ? C14 C13 C12 120.75(12) . . ? C14 C13 H13 119.6 . . ? C12 C13 H13 119.6 . . ? C15 C14 C13 120.28(12) . . ? C15 C14 H14 119.9 . . ? C13 C14 H14 119.9 . . ? C14 C15 C16 119.57(12) . . ? C14 C15 H15 120.2 . . ? C16 C15 H15 120.2 . . ? C15 C16 C17 119.98(12) . . ? C15 C16 H16 120.0 . . ? C17 C16 H16 120.0 . . ? C12 C17 C16 120.78(11) . . ? C12 C17 H17 119.6 . . ? C16 C17 H17 119.6 . . ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag C3 N1 C1 O1 178.36(10) . . . . ? C11 N1 C1 O1 -4.51(16) . . . . ? C3 N1 C1 C2 -2.18(15) . . . . ? C11 N1 C1 C2 174.95(9) . . . . ? N3 N2 C2 C1 72.68(13) . . . . ? O1 C1 C2 N2 -17.72(14) . . . . ? N1 C1 C2 N2 162.81(10) . . . . ? C1 N1 C3 C4 66.39(14) . . . . ? C11 N1 C3 C4 -110.78(12) . . . . ? C1 N1 C3 C8 -115.34(12) . . . . ? C11 N1 C3 C8 67.48(13) . . . . ? C8 C3 C4 C5 2.05(17) . . . . ? N1 C3 C4 C5 -179.70(10) . . . . ? C3 C4 C5 C6 -0.16(16) . . . . ? C4 C5 C6 C7 -1.30(16) . . . . ? C4 C5 C6 C9 176.21(11) . . . . ? C5 C6 C7 C8 0.88(17) . . . . ? C9 C6 C7 C8 -176.77(10) . . . . ? C6 C7 C8 C3 1.00(17) . . . . ? C4 C3 C8 C7 -2.47(17) . . . . ? N1 C3 C8 C7 179.27(10) . . . . ? C5 C6 C9 O2 -168.37(11) . . . . ? C7 C6 C9 O2 9.18(16) . . . . ? C5 C6 C9 C10 10.98(16) . . . . ? C7 C6 C9 C10 -171.46(11) . . . . ? O2 C9 C10 N5 5.76(17) . . . . ? C6 C9 C10 N5 -173.59(10) . . . . ? C1 N1 C11 C12 96.45(12) . . . . ? C3 N1 C11 C12 -86.26(12) . . . . ? N1 C11 C12 C17 -26.95(16) . . . . ? N1 C11 C12 C13 154.82(10) . . . . ? C17 C12 C13 C14 0.23(18) . . . . ? C11 C12 C13 C14 178.54(11) . . . . ? C12 C13 C14 C15 0.52(19) . . . . ? C13 C14 C15 C16 -0.5(2) . . . . ? C14 C15 C16 C17 -0.25(19) . . . . ? C13 C12 C17 C16 -0.99(17) . . . . ? C11 C12 C17 C16 -179.22(11) . . . . ? C15 C16 C17 C12 1.01(18) . . . . ? #============================================================================== #============================================================================== # Additional structures and associated data_? identifiers # should be added at this point if there is more than one # structure analysis in the CIF. _shelx_res_file ; TITL TY_09_055_02 shelxl.res created by SHELXL-2017/1 at 11:40:32 on 18-Jan-2018 CELL 0.71075 8.17797 14.62465 27.20333 90.00000 90.00000 90.00000 ZERR 8 0.00015 0.00027 0.00049 0.00000 0.00000 0.00000 LATT 1 SYMM .50+X, .50-Y, -Z SYMM -X, .50+Y, .50-Z SYMM .50-X, -Y, .50+Z SFAC C H N O UNIT 136 112 48 16 SHEL 8.147145 0.769625 L.S. 5 FMAP 2 PLAN 20 WPDB -2 HTAB BOND $H CONF LIST 4 TEMP -170.0 ACTA SIZE 0.190 0.060 0.030 WGHT 0.039500 1.599300 FVAR 0.36931 O1 4 1.002351 0.586001 0.386202 11.00000 0.01628 0.01681 = 0.02820 -0.00369 -0.00194 0.00333 O2 4 0.058839 0.814434 0.404083 11.00000 0.01530 0.01955 = 0.04440 -0.00161 0.00406 -0.00078 N1 3 0.774168 0.659290 0.360671 11.00000 0.01426 0.01564 = 0.01671 -0.00173 0.00070 0.00149 N2 3 0.938669 0.604576 0.483750 11.00000 0.02308 0.02698 = 0.02389 0.00531 -0.00397 0.00064 N3 3 1.086915 0.621944 0.484724 11.00000 0.02558 0.02411 = 0.01956 -0.00353 -0.00498 0.00490 N4 3 1.223154 0.631216 0.490110 11.00000 0.02549 0.03908 = 0.03203 -0.00863 -0.00950 0.00658 N5 3 0.056809 0.985701 0.432691 11.00000 0.02215 0.01776 = 0.02402 -0.00047 -0.00091 0.00347 N6 3 -0.066094 1.009113 0.445404 11.00000 0.02589 0.02739 = 0.03413 0.00130 0.00545 0.00734 C1 1 0.880973 0.631748 0.395931 11.00000 0.01439 0.01115 = 0.02216 -0.00053 -0.00081 -0.00195 C2 1 0.845237 0.660767 0.448825 11.00000 0.01756 0.01702 = 0.01949 0.00018 -0.00173 0.00019 AFIX 23 H2A 2 0.874701 0.725920 0.453197 11.00000 -1.20000 H2B 2 0.726863 0.654125 0.455555 11.00000 -1.20000 AFIX 0 C3 1 0.628763 0.710915 0.371041 11.00000 0.01450 0.01454 = 0.01584 0.00095 0.00060 0.00229 C4 1 0.640193 0.799843 0.388855 11.00000 0.01364 0.01529 = 0.01985 0.00189 -0.00057 -0.00159 AFIX 43 H4 2 0.744380 0.826876 0.394084 11.00000 -1.20000 AFIX 0 C5 1 0.498997 0.848932 0.398961 11.00000 0.01765 0.01280 = 0.01853 0.00001 0.00011 -0.00011 AFIX 43 H5 2 0.506645 0.909616 0.411207 11.00000 -1.20000 AFIX 0 C6 1 0.345809 0.809516 0.391208 11.00000 0.01523 0.01552 = 0.01671 0.00149 0.00055 0.00166 C7 1 0.335581 0.720919 0.372248 11.00000 0.01439 0.01859 = 0.02388 -0.00152 -0.00159 -0.00191 AFIX 43 H7 2 0.231557 0.694078 0.366468 11.00000 -1.20000 AFIX 0 C8 1 0.476337 0.672104 0.361853 11.00000 0.01828 0.01556 = 0.02170 -0.00244 -0.00098 -0.00050 AFIX 43 H8 2 0.468986 0.612240 0.348476 11.00000 -1.20000 AFIX 0 C9 1 0.189168 0.856306 0.404124 11.00000 0.01518 0.01856 = 0.01903 0.00192 0.00016 0.00101 C10 1 0.196886 0.951863 0.417104 11.00000 0.01516 0.01890 = 0.02861 -0.00256 0.00105 0.00283 AFIX 43 H10 2 0.294056 0.987164 0.414641 11.00000 -1.20000 AFIX 0 C11 1 0.811004 0.639473 0.308806 11.00000 0.01983 0.01849 = 0.01715 0.00065 0.00370 0.00150 AFIX 23 H11A 2 0.930941 0.633168 0.305215 11.00000 -1.20000 H11B 2 0.776626 0.692585 0.288749 11.00000 -1.20000 AFIX 0 C12 1 0.730788 0.554438 0.288062 11.00000 0.01589 0.01847 = 0.01779 -0.00191 0.00021 0.00555 C13 1 0.703942 0.549685 0.237517 11.00000 0.02575 0.02454 = 0.01791 0.00153 0.00029 0.00659 AFIX 43 H13 2 0.733684 0.599864 0.217223 11.00000 -1.20000 AFIX 0 C14 1 0.634385 0.472617 0.216549 11.00000 0.03444 0.03168 = 0.01863 -0.00612 -0.00695 0.00866 AFIX 43 H14 2 0.617613 0.470101 0.182019 11.00000 -1.20000 AFIX 0 C15 1 0.589227 0.399274 0.245696 11.00000 0.02856 0.02262 = 0.02993 -0.00939 -0.00822 0.00482 AFIX 43 H15 2 0.540737 0.346654 0.231314 11.00000 -1.20000 AFIX 0 C16 1 0.615268 0.403100 0.296121 11.00000 0.02658 0.01775 = 0.02692 -0.00164 -0.00260 0.00197 AFIX 43 H16 2 0.584169 0.353101 0.316361 11.00000 -1.20000 AFIX 0 C17 1 0.686925 0.480202 0.316972 11.00000 0.02434 0.01936 = 0.01708 -0.00134 -0.00154 0.00338 AFIX 43 H17 2 0.706043 0.482040 0.351404 11.00000 -1.20000 AFIX 0 HKLF 4 REM TY_09_055_02 REM R1 = 0.0367 for 3304 Fo > 4sig(Fo) and 0.0432 for all 3740 data REM 226 parameters refined using 0 restraints END WGHT 0.0395 1.5996 REM Instructions for potential hydrogen bonds EQIV $1 x+1, y, z HTAB C2 O2_$1 EQIV $2 -x+1/2, y-1/2, z HTAB C2 N6_$2 HTAB C4 O2_$1 EQIV $3 -x+3/2, y+1/2, z HTAB C10 O1_$3 REM Highest difference peak 0.350, deepest hole -0.222, 1-sigma level 0.040 Q1 1 0.2745 0.8345 0.3973 11.00000 0.05 0.35 Q2 1 0.1982 0.9047 0.4131 11.00000 0.05 0.30 Q3 1 0.6322 0.7561 0.3771 11.00000 0.05 0.29 Q4 1 0.3490 0.7616 0.3882 11.00000 0.05 0.29 Q5 1 0.5655 0.8212 0.3925 11.00000 0.05 0.29 Q6 1 0.8564 0.6483 0.4220 11.00000 0.05 0.28 Q7 1 0.4180 0.8333 0.3898 11.00000 0.05 0.27 Q8 1 0.7590 0.5967 0.2994 11.00000 0.05 0.26 Q9 1 0.5549 0.6980 0.3592 11.00000 0.05 0.26 Q10 1 0.7006 0.6812 0.3685 11.00000 0.05 0.25 Q11 1 0.8354 0.6550 0.3774 11.00000 0.05 0.24 Q12 1 0.6854 0.5550 0.2636 11.00000 0.05 0.24 Q13 1 0.4124 0.6973 0.3742 11.00000 0.05 0.22 Q14 1 0.6763 0.5223 0.3029 11.00000 0.05 0.21 Q15 1 0.7821 0.6446 0.3369 11.00000 0.05 0.21 Q16 1 0.6490 0.4473 0.3021 11.00000 0.05 0.20 Q17 1 0.6613 0.4279 0.2288 11.00000 0.05 0.20 Q18 1 0.6945 0.5022 0.2289 11.00000 0.05 0.20 Q19 1 0.7395 0.5437 0.2613 11.00000 0.05 0.19 Q20 1 0.2164 0.9987 0.3906 11.00000 0.05 0.18 ; _shelx_res_checksum 91776 _shelx_hkl_file ; 0 0 3 -0.24 0.49 0 0 3 0.44 0.31 0 0 -3 -0.27 0.45 0 0 3 0.37 0.41 0 0 -3 0.62 0.61 0 0 4 4840.44 186.91 0 0 4 4787.12 184.00 0 0 -4 4941.70 188.41 0 0 4 5016.58 197.11 0 0 -4 4883.13 191.21 0 0 5 1.39 0.86 0 0 5 -0.40 0.50 0 0 -5 -0.20 0.73 0 0 5 -0.36 0.63 0 0 -5 2.12 0.68 0 0 6 4320.91 160.45 0 0 6 4376.43 160.64 0 0 -6 4385.70 160.04 0 0 6 4302.20 161.39 0 0 -6 4421.37 168.09 0 0 7 -0.38 1.07 0 0 7 -0.63 0.61 0 0 -7 1.41 0.94 0 0 7 2.90 1.31 0 0 -7 0.26 0.85 0 0 8 4147.82 155.47 0 0 8 4235.38 155.37 0 0 -8 4285.58 157.59 0 0 8 4226.29 160.00 0 0 -8 4144.63 160.48 0 0 9 -0.71 1.29 0 0 -9 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2173.14 59.10 0 6 4 2165.02 59.83 0 -6 4 2128.66 55.92 0 6 4 2167.73 58.56 0 -6 -4 2172.64 57.23 0 -6 5 31.71 1.25 0 6 -5 30.25 1.88 0 -6 -5 30.01 1.34 0 6 5 30.27 2.05 0 -6 5 28.73 1.64 0 6 5 29.90 1.92 0 -6 -5 28.30 1.79 0 -6 6 195.15 3.14 0 6 -6 183.94 3.06 0 -6 -6 188.16 3.11 0 6 6 187.03 3.95 0 -6 6 185.19 2.91 0 6 6 187.89 3.13 0 -6 -6 187.63 3.09 0 -6 7 451.01 7.10 0 6 -7 451.90 7.08 0 -6 -7 451.07 7.89 0 6 7 445.86 7.37 0 -6 7 438.87 7.39 0 6 7 440.69 7.10 0 -6 -7 440.97 7.13 0 -6 7 434.68 7.00 0 -6 -8 797.77 14.98 0 -6 8 843.01 15.98 0 6 -8 815.81 14.71 0 -6 -8 868.19 16.45 0 6 8 829.64 15.53 0 -6 8 810.44 15.38 0 6 8 829.21 15.22 0 -6 -8 816.68 15.07 0 -6 8 820.57 16.16 0 -6 -9 520.02 8.97 0 -6 9 512.46 8.52 0 6 -9 538.87 8.70 0 -6 -9 515.74 9.43 0 6 9 537.52 9.23 0 6 9 521.36 8.86 0 -6 -9 519.10 9.81 0 -6 9 526.82 8.92 0 -6 -10 54.67 1.77 0 -6 10 54.03 1.63 0 6 -10 52.09 1.58 0 -6 -10 53.63 2.27 0 6 10 50.45 2.46 0 6 10 55.97 1.83 0 -6 -10 51.23 1.77 0 -6 10 52.10 1.74 0 -6 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0 -6 17 13.22 1.71 0 -6 -18 19.10 2.63 0 -6 18 16.85 1.53 0 6 -18 18.34 1.49 0 -6 -18 17.99 1.57 0 6 18 16.69 3.02 0 -6 -18 17.45 3.13 0 -6 18 18.58 1.80 0 6 -18 17.90 1.92 0 -6 -19 334.87 6.70 0 -6 19 334.20 6.35 0 6 -19 337.60 7.12 0 -6 -19 332.04 6.33 0 6 19 339.77 8.70 0 -6 -19 348.35 8.97 0 -6 19 345.33 6.95 0 6 -19 333.89 7.14 0 -6 -20 269.80 6.89 0 -6 20 262.64 6.46 0 6 -20 263.80 6.08 0 -6 -20 266.30 5.26 0 6 20 269.28 6.27 0 -6 -20 281.42 6.49 0 -6 20 265.85 5.81 0 6 -20 267.95 7.74 0 -6 -21 265.21 6.92 0 6 -21 271.51 6.32 0 -6 -21 274.31 6.52 0 6 21 269.88 6.43 0 -6 -21 273.31 6.67 0 -6 21 257.34 5.94 0 6 -21 277.63 6.54 0 -6 -22 596.70 12.68 0 -6 22 581.75 13.87 0 6 -22 593.36 11.81 0 -6 -22 598.92 13.67 0 6 22 610.40 13.84 0 -6 -22 613.35 14.36 0 -6 22 582.97 12.93 0 6 -22 594.73 13.90 0 -6 -23 240.78 5.40 0 -6 -23 232.22 5.21 0 -6 23 234.35 5.23 0 6 -23 233.78 4.89 0 -6 -23 236.06 6.30 0 6 23 234.86 6.11 0 -6 -23 245.32 8.47 0 -6 23 229.57 5.71 0 6 -23 235.38 6.22 0 -6 -24 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5 -2 3.34 1.18 2 -5 -2 -0.10 1.10 2 5 2 1.88 0.57 -2 -5 2 2.20 0.33 -2 -5 -2 3.01 1.22 -2 -5 -2 2.59 1.34 2 5 -2 5.64 1.52 2 -5 2 2.98 0.91 -2 5 2 1.94 1.81 2 5 -2 2.49 0.51 2 -5 2 2.24 1.17 -2 5 2 1.30 1.77 -2 -5 -2 2.07 0.88 -2 -5 3 1.61 1.04 2 5 3 3.96 0.83 -2 5 -3 0.45 0.95 2 -5 -3 2.31 1.13 2 -5 -3 2.42 1.09 -2 -5 3 1.66 0.45 2 5 3 1.91 0.61 -2 -5 -3 2.08 1.30 -2 -5 -3 1.65 0.84 2 5 -3 2.09 1.02 2 -5 3 2.71 0.89 -2 5 3 1.21 1.26 2 -5 3 4.83 1.69 -2 -5 -3 1.93 0.64 -2 -5 4 119.50 2.32 2 5 4 114.42 2.32 -2 5 -4 113.96 2.02 2 -5 -4 117.82 2.39 -2 -5 4 117.70 1.31 2 -5 -4 118.13 2.34 2 5 4 117.04 1.75 -2 -5 4 119.34 1.45 -2 -5 -4 115.93 2.62 2 5 -4 117.11 2.30 -2 -5 -4 116.24 2.32 2 -5 4 116.97 1.97 -2 5 4 116.34 2.53 2 -5 4 125.63 3.20 -2 5 4 116.09 2.29 -2 -5 -4 115.50 2.20 -2 -5 5 160.13 3.63 2 5 5 161.87 2.39 -2 5 -5 161.34 3.10 2 -5 -5 159.83 3.01 2 -5 -5 161.25 2.83 2 5 5 157.91 2.30 -2 -5 5 166.47 1.94 -2 -5 -5 161.12 3.20 2 5 -5 163.28 2.86 -2 -5 -5 161.06 2.37 2 -5 5 159.79 2.86 -2 5 5 160.86 4.07 2 -5 5 162.91 3.82 -2 5 5 162.69 2.96 -2 -5 -5 157.24 2.81 -2 -5 6 248.46 4.09 2 5 6 251.34 3.98 -2 5 -6 246.29 3.57 2 -5 -6 246.81 4.37 -2 -5 6 244.69 2.79 2 -5 -6 240.07 4.76 2 5 6 243.64 4.00 -2 -5 6 251.15 2.97 -2 -5 -6 251.43 4.54 2 5 -6 248.11 4.02 -2 -5 -6 252.00 3.44 2 -5 6 248.44 3.50 -2 5 6 243.02 4.38 2 -5 6 245.12 4.19 -2 5 6 247.14 4.93 -2 -5 -6 244.30 4.16 -2 -5 7 160.09 2.96 -2 5 -7 159.13 2.92 2 -5 -7 152.83 3.08 -2 -5 7 153.74 1.98 2 -5 -7 162.06 3.67 -2 -5 7 158.24 2.06 -2 -5 -7 156.19 3.35 2 5 -7 161.73 2.92 -2 -5 -7 153.87 2.61 2 -5 7 157.62 2.34 -2 5 7 156.59 3.21 2 -5 7 160.92 3.10 -2 5 7 157.31 2.91 -2 -5 -7 161.31 3.17 2 -5 7 158.21 3.30 -2 -5 8 100.99 2.27 -2 5 -8 98.70 1.72 2 5 8 97.18 1.68 2 -5 -8 101.02 2.39 2 -5 -8 91.63 2.93 2 5 8 93.34 2.42 -2 -5 8 96.92 1.34 -2 -5 -8 101.22 2.60 2 5 -8 96.11 2.92 2 -5 8 90.35 2.04 -2 -5 -8 95.23 1.58 -2 5 8 96.67 3.40 -2 5 8 98.39 2.23 -2 -5 -8 96.31 1.99 2 -5 8 97.03 2.57 2 5 9 10.49 1.42 -2 -5 9 9.40 1.35 -2 5 -9 9.35 1.25 2 5 9 9.83 0.83 2 -5 -9 10.14 2.16 2 -5 -9 11.60 1.27 2 5 9 7.92 1.08 -2 -5 9 8.24 0.60 -2 -5 -9 8.35 1.62 2 5 -9 7.59 1.27 -2 -5 -9 8.74 1.12 -2 5 9 12.81 2.26 -2 5 9 8.22 1.29 -2 -5 -9 8.95 1.13 2 -5 9 10.46 1.55 2 5 10 215.60 4.10 2 -5 -10 204.44 2.87 -2 -5 10 216.85 4.72 -2 5 -10 211.36 3.44 2 5 10 206.95 3.52 2 -5 -10 214.22 4.10 2 -5 -10 210.91 3.78 2 5 10 214.96 4.24 -2 -5 10 204.17 3.05 -2 -5 -10 214.01 5.28 2 5 -10 208.21 3.73 2 -5 10 209.25 2.98 -2 -5 -10 208.44 3.22 -2 5 10 212.07 3.85 -2 -5 -10 212.56 4.46 2 -5 10 215.94 5.28 2 5 11 24.18 2.46 2 -5 -11 26.57 1.30 -2 -5 11 28.96 2.34 -2 5 -11 26.74 1.00 2 5 11 24.31 1.47 2 -5 -11 26.18 2.55 2 -5 -11 27.04 2.27 2 5 11 22.44 1.42 -2 -5 11 25.40 0.86 -2 -5 -11 25.99 1.89 2 5 -11 25.88 1.53 2 -5 11 25.61 1.37 -2 -5 -11 24.80 0.90 -2 5 11 25.69 2.31 -2 -5 -11 25.29 2.24 2 -5 11 28.98 1.81 2 5 12 22.74 1.80 2 -5 -12 24.07 1.38 -2 -5 12 26.21 2.32 -2 5 -12 26.47 1.00 2 -5 -12 22.90 1.75 2 5 12 25.78 1.06 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33 10.15 3.92 2 -5 -33 6.66 3.14 2 -5 -33 12.24 3.24 2 5 33 16.62 5.94 -2 -5 33 11.18 2.83 2 -5 -33 6.81 5.91 -2 5 -33 9.97 6.55 2 -5 33 14.98 3.81 2 5 -33 9.92 4.28 -2 5 33 8.11 3.45 2 -5 33 12.16 3.66 -2 -5 -33 5.39 4.34 2 5 -33 5.00 3.52 -2 -6 0 138.52 2.48 2 6 0 138.84 3.09 2 -6 0 146.56 3.33 -2 6 0 142.61 2.74 -2 6 0 143.29 2.76 2 -6 0 138.53 2.64 2 6 0 138.37 2.08 -2 -6 0 136.92 2.00 -2 -6 1 0.54 1.61 2 6 1 1.85 1.02 2 -6 -1 2.80 1.12 -2 6 -1 1.07 1.76 -2 6 -1 1.74 1.28 2 -6 -1 1.41 1.18 2 6 1 1.97 0.58 -2 -6 1 2.98 0.71 -2 -6 -1 3.74 0.99 2 6 -1 2.44 1.05 2 -6 1 3.35 1.09 -2 6 1 1.94 1.26 -2 6 1 2.09 1.26 2 6 -1 3.02 0.48 2 -6 1 2.10 1.21 -2 -6 -1 2.81 0.59 -2 -6 2 2.74 1.10 2 6 2 4.12 0.93 2 -6 -2 4.09 1.80 -2 6 -2 1.28 1.12 -2 6 -2 2.11 1.25 2 -6 -2 4.85 1.19 2 6 2 3.25 0.94 -2 -6 2 3.72 0.68 -2 -6 -2 3.41 1.00 2 6 -2 4.61 1.64 2 -6 2 2.81 1.01 -2 6 2 2.65 1.29 2 6 -2 3.80 0.69 -2 6 2 4.76 1.26 2 -6 2 4.45 1.88 -2 -6 -2 3.59 0.63 -2 -6 3 27.61 1.34 2 6 3 28.61 1.15 2 -6 -3 24.93 1.45 -2 6 -3 24.90 1.28 2 -6 -3 28.67 1.44 2 6 3 27.44 1.24 -2 -6 3 27.47 0.79 -2 -6 -3 31.47 1.59 -2 -6 -3 28.24 1.16 2 6 -3 30.38 1.35 2 -6 3 28.34 1.19 -2 6 3 28.88 1.60 2 6 -3 27.20 0.88 2 -6 3 27.96 1.48 -2 6 3 28.10 1.47 -2 -6 -3 26.25 1.28 -2 -6 4 12.17 1.21 2 6 4 11.19 1.05 -2 6 -4 15.21 1.67 2 -6 -4 14.04 1.38 -2 -6 4 12.65 0.69 2 -6 -4 11.17 1.25 2 6 4 12.26 1.23 -2 -6 -4 15.24 1.51 -2 -6 -4 12.63 1.49 2 6 -4 12.73 1.21 2 -6 4 14.59 1.54 -2 6 4 12.07 1.47 2 -6 4 9.63 1.32 -2 6 4 13.06 1.33 -2 -6 -4 11.44 1.27 -2 -6 5 92.99 2.86 2 6 5 85.14 1.74 -2 6 -5 87.82 1.88 2 -6 -5 91.35 2.26 -2 -6 5 87.49 1.33 2 -6 -5 85.23 2.13 2 6 5 84.93 2.10 -2 -6 -5 86.38 3.22 2 6 -5 88.44 2.08 -2 -6 -5 88.75 1.74 2 -6 5 87.00 2.27 -2 6 5 89.26 3.26 2 -6 5 87.31 2.21 -2 6 5 88.46 2.19 -2 -6 -5 86.94 2.15 -2 -6 6 426.37 7.34 2 6 6 433.75 6.68 -2 6 -6 434.99 6.82 2 -6 -6 440.54 7.67 -2 -6 6 437.13 5.60 2 -6 -6 441.90 7.41 2 6 6 434.48 6.57 -2 -6 6 448.92 6.03 -2 -6 -6 438.22 7.94 2 6 -6 447.99 7.40 -2 -6 -6 445.34 6.65 2 -6 6 435.93 6.67 -2 6 6 435.34 7.91 2 -6 6 437.89 7.59 -2 6 6 442.29 7.48 -2 -6 -6 431.32 6.65 -2 -6 7 94.11 2.25 2 6 7 93.67 2.33 -2 6 -7 93.08 2.39 2 -6 -7 96.36 2.40 -2 -6 7 88.07 1.48 2 -6 -7 89.70 2.26 -2 -6 7 93.15 1.65 -2 -6 -7 91.79 2.62 2 6 -7 95.61 2.24 -2 -6 -7 96.41 2.25 2 -6 7 90.30 1.76 -2 6 7 94.26 2.58 2 -6 7 94.00 2.35 -2 6 7 93.12 2.31 -2 -6 -7 91.22 1.88 -2 -6 8 288.50 5.04 -2 6 -8 290.13 4.99 2 6 8 287.98 4.89 2 -6 -8 293.43 5.26 -2 -6 8 273.06 3.75 2 -6 -8 289.89 5.04 2 6 8 286.53 5.14 -2 -6 8 284.52 3.95 -2 -6 -8 302.71 6.85 2 6 -8 279.20 5.73 2 -6 8 291.21 4.28 -2 -6 -8 290.69 4.76 -2 6 8 284.99 5.45 2 -6 8 291.92 5.17 -2 6 8 292.02 5.08 -2 -6 -8 288.33 4.63 2 -6 8 290.12 6.53 -2 -6 9 41.41 1.72 -2 6 -9 43.81 1.33 2 6 9 40.87 1.34 2 -6 -9 40.01 2.68 -2 -6 9 41.23 1.26 2 -6 -9 41.82 2.54 2 6 9 40.79 2.03 -2 -6 9 42.29 1.28 -2 -6 -9 41.21 2.04 2 6 -9 41.37 1.70 2 -6 9 41.13 1.75 -2 -6 -9 39.46 1.16 -2 6 9 42.67 2.84 2 -6 9 43.17 1.86 -2 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-19 1.32 0.73 3 -3 -19 1.75 3.08 -3 -3 19 0.07 1.17 3 3 19 3.63 1.85 3 -3 -19 -0.32 1.70 -3 3 -19 -1.42 3.47 3 -3 19 1.36 2.19 -3 -3 -19 2.22 3.18 3 -3 19 1.50 0.83 -3 -3 -19 0.68 0.64 3 3 -19 -0.66 1.74 -3 -3 -19 1.52 0.56 -3 3 19 2.87 1.63 3 -3 19 -0.43 2.25 3 3 -19 0.57 2.03 -3 -3 -19 2.93 3.20 3 3 20 191.47 5.22 -3 -3 20 188.78 6.17 3 -3 -20 192.26 4.79 -3 3 -20 178.95 2.25 3 -3 -20 184.94 6.53 -3 -3 20 178.85 3.46 3 3 20 191.90 4.73 3 -3 -20 190.49 4.48 -3 3 -20 182.07 7.39 3 -3 20 188.52 6.56 -3 -3 -20 183.15 5.08 -3 -3 -20 184.94 2.40 3 3 -20 192.34 4.58 -3 -3 -20 177.83 2.21 -3 3 20 186.59 4.29 3 -3 20 188.47 5.21 -3 -3 -20 189.90 5.09 3 3 -20 184.61 3.91 3 3 21 123.28 4.38 -3 -3 21 125.18 3.90 3 -3 -21 128.20 3.94 -3 3 -21 118.19 1.90 3 -3 -21 117.48 3.95 -3 -3 21 119.90 2.80 3 3 21 112.80 5.04 3 -3 -21 119.06 3.56 -3 3 -21 121.95 4.64 3 -3 21 125.17 4.30 -3 -3 -21 119.72 4.14 3 3 -21 125.79 3.61 -3 -3 -21 115.30 1.62 -3 3 21 124.89 4.61 3 -3 21 122.24 4.20 -3 -3 -21 118.74 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24 8.95 4.24 -3 -3 -24 8.54 2.90 3 3 -24 8.69 3.01 3 3 25 6.35 2.90 -3 -3 25 6.84 2.04 3 -3 -25 3.16 3.78 -3 3 -25 5.67 0.96 3 -3 -25 9.30 2.65 -3 -3 25 6.03 1.77 3 3 25 8.12 2.66 3 -3 -25 12.44 3.69 -3 3 -25 5.18 3.25 3 -3 25 6.54 2.81 3 3 -25 9.43 3.53 -3 -3 -25 5.04 0.80 -3 3 25 4.58 2.18 3 -3 25 10.71 2.96 -3 -3 -25 4.20 3.00 3 3 -25 7.73 2.12 3 3 26 36.35 3.42 -3 -3 26 35.19 2.61 3 -3 -26 36.56 3.05 3 -3 -26 37.81 3.22 -3 -3 26 31.45 2.30 3 3 26 39.42 4.90 3 -3 -26 30.98 4.41 -3 3 -26 35.87 3.95 3 -3 26 41.27 3.54 3 3 -26 36.75 2.88 -3 3 26 35.84 2.77 3 -3 26 37.14 3.58 -3 -3 -26 42.61 5.42 3 3 -26 34.43 2.69 3 3 27 162.02 7.70 3 -3 -27 159.93 5.19 3 -3 -27 167.28 7.40 -3 -3 27 152.34 5.41 3 3 27 158.28 5.64 3 -3 -27 155.51 7.06 -3 3 -27 151.40 6.25 3 -3 27 160.68 7.91 3 3 -27 152.71 4.89 -3 3 27 152.76 4.82 3 -3 27 163.20 5.72 -3 -3 -27 157.00 6.06 3 3 -27 152.41 6.32 3 3 28 26.99 5.29 3 -3 -28 18.92 4.59 3 -3 -28 19.91 3.29 -3 -3 28 24.01 3.47 3 3 28 27.52 3.38 3 -3 -28 31.42 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4.68 1.93 -4 -12 13 4.19 0.67 4 -12 -13 6.80 2.80 -4 -12 13 3.77 0.72 -4 -12 -13 5.61 3.43 -4 -12 -13 6.99 1.85 4 -12 13 5.40 2.96 4 12 -13 11.76 4.25 -4 12 13 3.72 3.33 4 -12 13 3.67 4.40 -4 12 13 -0.82 4.73 -4 -12 -13 8.85 2.19 4 -12 13 2.21 5.17 4 -12 -14 32.29 3.30 -4 -12 14 31.89 3.55 4 -12 -14 31.02 3.44 -4 12 -14 32.32 3.82 4 12 14 36.79 3.73 4 12 14 35.40 3.53 4 -12 -14 36.15 3.32 -4 -12 -14 35.78 4.16 -4 -12 -14 34.69 2.24 4 -12 14 33.98 2.36 4 12 -14 36.91 3.31 4 -12 14 41.36 3.52 -4 12 14 33.28 3.64 -4 -12 -14 32.91 3.85 4 -12 14 32.71 5.81 4 -12 -15 66.88 3.87 -4 -12 15 69.78 5.92 4 -12 -15 70.77 5.94 -4 12 -15 65.19 3.21 4 12 15 67.12 3.03 4 12 15 65.87 4.25 4 -12 -15 68.50 3.92 -4 -12 -15 67.00 5.02 4 -12 15 67.79 2.91 -4 -12 -15 67.51 3.76 4 12 -15 70.26 3.95 4 -12 15 61.07 4.06 -4 12 15 67.23 6.02 -4 -12 -15 69.49 3.32 4 -12 15 73.26 6.82 4 -12 -16 4.31 1.89 -4 -12 16 -1.91 3.17 4 -12 -16 7.28 3.02 -4 12 -16 4.06 2.22 4 12 16 6.48 3.36 4 12 16 2.42 2.18 4 -12 -16 8.08 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6 162.73 2.77 -4 -13 -6 181.98 6.41 -4 -13 -6 166.76 4.64 4 -13 6 176.00 4.85 4 13 -6 176.82 5.32 -4 13 6 180.10 6.20 -4 13 6 178.87 5.73 4 -13 6 169.04 5.54 -4 -13 -6 174.46 3.87 -4 -13 7 15.77 4.21 4 -13 -7 11.60 4.46 4 13 7 9.74 2.37 -4 13 -7 13.63 3.95 4 13 7 11.49 2.55 4 -13 -7 11.04 3.01 -4 -13 7 10.26 1.17 -4 -13 -7 12.95 3.35 -4 -13 -7 13.13 3.37 4 -13 7 16.64 2.32 4 13 -7 13.61 4.17 -4 13 7 17.05 5.05 -4 13 7 14.04 3.04 4 -13 7 12.04 4.76 -4 -13 -7 11.14 2.56 -4 -13 8 87.81 4.08 4 -13 -8 92.05 4.28 4 13 8 85.96 3.39 -4 13 -8 84.15 3.73 4 13 8 89.94 3.68 4 -13 -8 85.92 4.17 -4 -13 8 81.36 1.64 -4 -13 -8 93.72 5.17 -4 -13 -8 85.30 3.29 4 -13 8 89.04 3.32 4 13 -8 89.35 4.05 -4 13 8 89.25 4.84 -4 13 8 90.90 4.33 4 -13 8 89.54 5.98 -4 -13 -8 81.59 2.77 -4 -13 9 1.97 2.77 4 -13 -9 3.91 4.19 4 13 9 3.88 3.27 -4 13 -9 -4.53 3.75 4 13 9 2.30 1.69 4 -13 -9 -0.79 2.81 -4 -13 9 0.04 0.78 -4 -13 9 0.89 0.85 -4 -13 -9 5.67 5.37 -4 -13 -9 2.48 2.06 4 -13 9 1.32 2.11 4 13 -9 0.43 4.09 -4 13 9 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5 46.57 2.34 5 -7 5 38.69 3.62 -5 -7 -5 43.28 1.41 -5 -7 6 127.09 3.22 -5 -7 6 129.02 4.52 5 7 6 116.80 3.17 5 -7 -6 128.23 3.64 -5 7 -6 126.33 3.92 5 -7 -6 126.74 3.35 5 7 6 125.76 2.18 -5 -7 -6 130.61 4.16 -5 -7 -6 128.78 3.34 5 7 -6 124.94 3.37 5 -7 6 127.43 3.45 -5 7 6 130.24 3.54 5 -7 6 117.76 4.83 -5 -7 -6 122.05 2.43 -5 -7 7 18.13 2.67 -5 -7 7 15.08 2.08 5 7 7 19.40 1.26 5 -7 -7 20.03 3.48 -5 7 -7 17.94 1.64 5 -7 -7 20.95 1.94 5 7 7 18.36 1.12 -5 -7 -7 23.52 3.85 -5 -7 -7 17.52 1.32 5 7 -7 18.05 3.01 5 -7 7 18.57 1.36 5 -7 7 22.90 3.29 -5 7 7 20.65 2.04 -5 -7 -7 19.07 1.99 -5 -7 8 3.22 2.39 -5 -7 8 2.75 1.98 5 7 8 1.46 1.08 5 -7 -8 3.69 2.06 -5 7 -8 0.76 2.12 5 -7 -8 2.04 2.79 -5 -7 -8 -0.39 2.39 -5 -7 -8 0.02 1.70 5 7 -8 0.54 1.84 5 -7 8 1.30 1.14 5 -7 8 -2.77 3.13 -5 7 8 3.07 1.86 -5 -7 -8 1.91 1.99 5 -7 8 4.40 2.33 -5 -7 9 99.47 2.74 -5 -7 9 97.75 3.34 5 7 9 98.01 2.15 5 -7 -9 104.65 4.88 -5 7 -9 99.72 3.37 5 -7 -9 102.70 3.13 5 7 9 95.58 2.95 -5 -7 -9 106.90 4.00 -5 -7 -9 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0.70 1.31 6 0 5 2.70 1.81 6 0 -5 2.72 1.63 6 0 5 1.37 0.87 6 0 5 0.18 1.51 6 0 5 0.52 1.23 6 0 -5 1.87 1.28 6 0 5 3.00 2.17 6 0 6 107.81 3.35 6 0 -6 116.52 4.09 6 0 6 112.76 2.62 6 0 -6 107.04 2.39 6 0 6 116.76 3.72 6 0 7 -1.47 2.90 6 0 -7 2.96 2.58 6 0 7 0.25 1.07 6 0 7 1.20 1.24 -6 0 7 1.00 0.88 6 0 -7 -0.82 0.85 6 0 7 1.77 2.23 6 0 8 9.45 2.21 6 0 -8 13.23 2.80 6 0 8 14.34 1.05 6 0 8 12.13 1.22 -6 0 8 12.70 1.02 6 0 -8 11.55 1.42 6 0 8 12.76 2.63 6 0 9 0.91 2.07 6 0 -9 0.72 2.79 6 0 9 -0.72 0.77 6 0 9 1.29 0.89 -6 0 9 1.28 0.97 6 0 -9 -0.42 0.89 6 0 9 1.82 2.50 6 0 10 105.17 3.69 6 0 -10 107.00 3.37 6 0 10 100.71 1.61 6 0 10 101.57 1.51 -6 0 10 105.58 2.68 6 0 -10 104.88 2.04 6 0 10 100.98 4.11 6 0 11 0.13 3.37 6 0 -11 1.45 1.99 6 0 11 0.11 0.36 6 0 11 0.00 0.29 -6 0 11 0.60 1.49 6 0 -11 -0.16 1.46 6 0 11 -4.66 2.70 6 0 12 208.71 7.20 6 0 -12 197.68 5.22 -6 0 12 204.79 3.50 6 0 -12 195.98 4.00 6 0 12 201.53 6.08 6 0 13 0.66 3.77 6 0 -13 -0.11 2.26 -6 0 13 1.78 1.69 6 0 -13 1.19 1.11 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2.58 6.27 6 -5 -25 3.50 3.76 6 -5 -25 3.03 3.88 6 5 25 2.87 3.13 6 -5 -25 3.07 4.26 6 -5 25 -0.42 6.43 6 5 -25 8.50 5.29 -6 5 25 6.12 4.07 6 -5 25 -1.16 3.94 -6 -5 -25 5.81 3.55 6 5 26 0.70 4.14 6 -5 -26 11.33 5.49 6 -5 -26 -0.68 3.82 6 5 26 7.44 4.87 6 -5 -26 9.52 4.45 6 -5 26 -3.25 4.36 6 5 -26 3.75 5.16 -6 5 26 2.60 4.10 6 -5 26 3.04 4.13 -6 -5 -26 -1.96 5.71 6 5 27 52.25 5.18 6 -5 -27 45.38 4.62 6 -5 -27 37.48 7.32 6 5 27 41.99 4.04 6 -5 -27 49.06 3.71 6 -5 27 41.47 7.84 6 5 -27 41.46 4.16 -6 5 27 42.51 3.45 6 -5 27 34.84 7.32 -6 -5 -27 50.02 7.07 -6 -6 0 9.94 3.20 6 -6 0 15.33 2.29 -6 -6 0 16.90 2.63 6 6 0 18.02 2.37 6 -6 0 13.92 1.76 6 6 0 12.43 0.48 6 -6 0 8.51 1.92 -6 -6 1 21.21 3.29 6 -6 -1 24.89 2.37 -6 -6 1 22.89 1.89 6 6 1 23.24 2.40 6 -6 -1 22.27 2.03 6 6 1 24.73 0.82 6 -6 -1 22.15 2.11 6 6 1 21.46 0.91 -6 -6 -1 26.19 2.32 6 -6 1 25.22 1.78 -6 -6 -1 24.49 2.60 6 6 -1 22.77 2.59 6 -6 1 21.83 1.82 6 -6 1 25.70 3.08 -6 -6 2 64.63 2.76 6 -6 -2 65.11 2.86 -6 -6 2 71.66 2.61 6 6 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9.44 1.74 -6 -6 6 10.40 3.15 6 6 6 9.05 1.81 6 -6 -6 10.37 2.21 6 -6 -6 11.49 2.86 6 6 6 7.87 1.55 -6 -6 -6 12.46 2.43 6 -6 6 7.16 2.07 -6 -6 -6 11.27 1.99 6 6 -6 9.17 1.92 6 -6 6 7.69 2.03 -6 6 6 12.50 1.95 6 -6 6 8.18 3.24 -6 -6 -6 7.73 1.78 6 -6 6 5.75 3.61 -6 -6 7 5.85 1.74 6 -6 -7 6.38 1.57 -6 -6 7 1.91 2.08 6 6 7 4.93 1.66 6 -6 -7 5.59 2.23 6 -6 -7 10.44 1.79 6 6 7 5.36 1.07 -6 -6 -7 6.34 2.42 6 -6 7 10.22 2.15 -6 -6 -7 4.79 1.88 6 6 -7 8.19 1.88 6 -6 7 6.16 1.90 -6 6 7 2.67 1.93 6 -6 7 5.81 3.21 -6 -6 -7 8.58 1.97 6 -6 7 6.96 2.41 -6 -6 8 8.15 2.53 6 -6 -8 4.01 1.44 -6 -6 8 5.84 3.35 6 6 8 5.46 1.63 6 -6 -8 4.88 3.53 6 -6 -8 12.19 2.78 6 6 8 6.53 1.79 -6 -6 -8 5.61 3.84 6 -6 8 5.90 3.37 -6 -6 -8 8.01 1.80 6 6 -8 9.09 2.00 6 -6 8 8.12 1.81 6 -6 8 9.64 3.31 -6 6 8 7.93 1.95 -6 -6 -8 6.17 1.43 6 -6 8 8.59 2.56 -6 -6 9 106.21 2.96 6 -6 -9 109.15 2.30 -6 -6 9 104.46 3.70 6 6 9 106.31 2.72 6 -6 -9 108.26 3.91 6 -6 -9 105.08 3.20 6 6 9 110.40 3.25 -6 -6 -9 103.45 4.20 6 -6 9 107.31 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8 -4 3 6.91 2.49 8 -4 -4 86.80 3.54 -8 -4 4 88.50 4.27 -8 -4 4 95.00 3.53 8 -4 -4 86.12 4.87 8 4 4 87.37 3.32 8 -4 -4 90.53 5.22 8 4 4 90.94 2.83 8 -4 -4 88.65 4.20 8 4 4 81.69 2.81 8 -4 4 91.11 3.41 -8 -4 -4 93.10 3.79 8 -4 4 87.71 3.78 8 4 -4 87.04 3.19 8 -4 4 89.60 3.71 8 -4 4 90.25 3.45 8 -4 4 94.42 3.73 8 4 5 3.37 2.47 8 -4 -5 5.55 2.25 -8 -4 5 4.05 2.81 -8 -4 5 5.82 2.33 8 -4 -5 4.83 3.62 8 4 5 6.50 1.40 8 -4 -5 4.21 2.57 8 4 5 6.06 2.01 8 -4 -5 5.94 1.96 8 4 5 7.85 1.32 8 -4 5 6.54 3.61 -8 -4 -5 10.26 4.02 8 -4 5 5.51 2.49 8 4 -5 8.83 3.24 8 -4 5 6.28 2.34 8 -4 5 4.74 2.19 8 -4 5 10.00 2.66 8 4 6 74.21 5.11 8 -4 -6 73.40 2.82 -8 -4 6 74.75 3.77 -8 -4 6 82.96 3.50 8 -4 -6 77.54 5.11 8 4 6 72.82 2.88 8 -4 -6 77.51 5.33 8 4 6 74.59 3.07 8 -4 -6 70.95 3.92 8 4 6 73.16 2.18 8 -4 6 77.02 5.09 -8 -4 -6 74.14 3.85 8 -4 6 74.90 2.46 8 4 -6 74.14 3.34 8 -4 6 74.60 2.34 8 -4 6 76.50 4.71 8 -4 6 79.79 3.80 8 4 7 4.74 2.54 8 -4 -7 2.98 1.74 -8 -4 7 2.56 2.55 -8 -4 7 5.24 2.44 8 -4 -7 -2.51 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3.97 8 4 15 50.56 4.35 8 -4 15 59.40 4.64 -8 -4 -15 57.68 4.52 8 4 -15 58.70 5.84 8 -4 15 64.97 5.58 -8 4 15 52.72 3.03 8 -4 15 56.96 4.11 8 4 16 9.90 3.89 8 -4 -16 16.66 5.34 8 -4 -16 10.42 2.25 8 4 16 12.61 2.47 8 -4 16 9.59 3.82 8 4 -16 9.44 4.85 8 -4 16 8.24 3.25 -8 4 16 9.81 2.34 8 -4 16 13.07 3.42 8 4 17 6.07 5.52 8 -4 -17 2.44 3.64 8 -4 -17 2.73 2.21 8 4 17 2.64 2.49 8 -4 17 5.32 5.77 8 4 -17 5.76 4.99 8 -4 17 2.56 3.21 -8 4 17 2.51 3.46 8 -4 17 9.73 5.11 8 4 18 45.31 7.05 8 -4 -18 40.26 4.31 8 -4 -18 37.31 4.05 8 4 18 37.41 4.59 8 -4 18 32.33 6.88 8 4 -18 41.95 5.98 8 -4 18 38.68 3.93 -8 4 18 41.21 4.33 8 -4 18 37.66 6.11 8 4 19 20.69 6.88 8 -4 -19 38.88 6.23 8 -4 -19 23.40 6.99 8 -4 -19 27.26 2.71 8 4 19 27.33 3.11 8 -4 19 27.08 4.51 8 4 -19 29.41 5.71 8 -4 19 24.36 5.72 -8 4 19 27.02 2.79 8 -4 19 28.31 4.11 8 4 20 6.69 6.63 8 -4 -20 9.21 3.85 8 -4 -20 1.76 6.38 8 -4 -20 7.68 2.47 8 4 20 3.73 4.38 8 -4 20 7.43 4.21 8 4 -20 3.24 5.39 8 -4 20 9.92 3.64 -8 4 20 7.00 3.86 8 -4 20 2.90 3.79 8 4 21 -0.75 6.61 8 -4 -21 13.75 6.12 8 -4 -21 9.27 6.74 8 -4 -21 3.51 2.50 8 4 21 9.97 4.54 8 -4 21 9.79 4.42 8 4 -21 9.94 3.70 -8 4 21 4.64 2.59 8 -4 21 4.39 3.93 8 4 22 2.95 6.96 8 -4 -22 9.28 4.38 8 -4 -22 4.76 4.02 8 4 22 6.65 3.08 8 4 -22 6.52 3.85 -8 4 22 3.93 4.01 8 -5 0 1.08 1.91 -8 -5 0 3.56 2.23 -8 -5 0 4.49 1.99 8 -5 0 2.51 1.98 8 5 0 1.95 1.80 8 -5 0 -0.97 3.17 8 -5 0 7.11 3.29 8 5 0 1.55 0.68 8 5 0 1.64 0.67 8 -5 -1 4.13 2.72 -8 -5 1 2.67 2.28 -8 -5 1 2.84 2.08 8 -5 -1 4.63 2.03 8 5 1 4.13 1.74 8 -5 -1 3.84 3.23 8 5 1 3.12 0.97 8 -5 -1 4.04 2.08 8 5 1 2.36 0.95 8 -5 1 6.70 3.06 -8 -5 -1 1.41 3.60 -8 -5 -1 6.04 2.89 8 -5 1 1.62 1.85 8 5 -1 2.62 1.87 8 -5 1 4.11 3.00 8 -5 1 2.75 2.19 8 -5 1 1.26 2.52 8 -5 -2 156.79 5.06 -8 -5 2 150.22 5.78 -8 -5 2 164.65 4.55 8 -5 -2 158.37 4.49 8 5 2 153.94 3.74 8 -5 -2 157.01 4.65 8 -5 -2 164.98 4.39 8 -5 2 158.31 5.68 -8 -5 -2 161.03 4.93 -8 -5 -2 159.30 5.30 8 -5 2 158.85 5.29 8 5 -2 151.20 5.43 8 -5 2 157.18 5.21 8 -5 2 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4.71 8 -6 0 91.56 3.56 8 -6 -1 10.65 3.12 -8 -6 1 10.71 2.52 8 -6 -1 13.57 2.24 -8 -6 1 10.43 2.34 8 6 1 12.08 1.96 8 -6 -1 13.74 2.31 8 -6 -1 11.36 2.40 -8 -6 -1 13.53 4.02 8 -6 1 13.44 3.25 8 -6 1 12.24 2.15 -8 -6 -1 11.78 2.22 8 6 -1 15.59 3.16 8 -6 1 15.04 3.27 8 -6 1 12.15 2.47 8 -6 -2 0.94 1.87 -8 -6 2 1.17 3.49 8 -6 -2 2.20 3.34 -8 -6 2 1.79 2.23 8 6 2 0.04 1.78 8 -6 -2 3.41 2.32 8 6 2 1.92 1.06 8 -6 -2 1.89 3.39 8 6 2 2.15 0.80 -8 -6 -2 0.76 2.64 8 -6 2 1.07 2.09 8 -6 2 1.16 1.88 -8 -6 -2 1.02 1.94 8 6 -2 -0.29 2.03 8 -6 2 -0.35 2.96 8 -6 2 1.02 2.30 8 -6 2 1.78 2.70 -8 -6 3 10.37 3.48 8 -6 -3 4.94 2.75 8 -6 -3 3.95 3.53 -8 -6 3 4.47 2.37 8 6 3 4.19 1.70 8 -6 -3 8.29 3.69 8 6 3 2.92 1.16 8 -6 -3 5.31 3.36 8 6 3 3.22 1.11 -8 -6 -3 7.58 2.63 8 -6 3 4.72 2.26 8 -6 3 6.13 1.95 -8 -6 -3 6.90 2.90 8 6 -3 7.05 2.11 8 -6 3 3.07 2.87 8 -6 3 6.52 3.68 8 -6 3 6.92 2.82 8 -6 -4 14.01 2.76 -8 -6 4 17.62 2.48 -8 -6 4 17.53 2.54 8 -6 -4 17.86 3.98 8 6 4 15.41 2.69 8 -6 -4 19.83 2.64 8 6 4 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6.32 3.51 8 -7 18 -2.48 5.63 -8 7 18 -1.59 2.93 8 -7 18 3.88 6.10 -8 -7 -18 2.46 2.97 -8 -7 19 11.70 4.34 8 -7 -19 21.72 4.41 8 -7 -19 23.48 4.61 8 -7 -19 15.54 3.09 8 7 19 13.67 2.87 8 -7 19 22.65 4.60 -8 -7 -19 19.25 4.82 8 7 -19 18.59 3.85 8 -7 19 15.60 4.01 -8 7 19 19.18 3.20 8 -7 19 19.22 4.51 -8 -7 -19 23.20 5.02 -8 -8 0 77.47 4.08 8 -8 0 72.59 3.25 -8 -8 0 71.42 4.78 8 8 0 71.89 4.36 8 -8 0 76.51 4.87 8 -8 0 76.42 3.84 -8 -8 1 -1.92 2.69 8 -8 -1 -0.13 2.12 8 -8 -1 3.15 2.35 -8 -8 1 -0.10 3.72 8 8 1 6.44 3.08 8 -8 -1 0.61 2.36 8 -8 -1 1.30 2.58 -8 -8 -1 2.91 4.47 8 -8 1 -3.55 3.37 -8 -8 -1 1.49 3.47 8 8 -1 3.82 3.24 8 -8 1 3.23 3.37 8 -8 1 2.56 2.68 -8 -8 2 -0.97 4.11 8 -8 -2 1.39 3.10 8 -8 -2 2.39 2.44 -8 -8 2 0.40 2.47 8 8 2 2.79 2.97 8 -8 -2 -0.29 2.49 8 -8 -2 1.35 3.92 -8 -8 -2 1.70 2.92 8 -8 2 -2.10 3.47 -8 -8 -2 2.69 3.30 8 8 -2 0.73 2.18 8 -8 2 3.01 3.26 8 -8 2 -2.94 2.73 -8 -8 3 20.14 2.98 8 -8 -3 17.62 2.16 8 -8 -3 18.84 4.31 -8 -8 3 23.63 2.85 8 8 3 19.99 3.13 8 -8 -3 21.78 4.24 8 -8 -3 17.29 4.33 -8 -8 -3 13.87 5.10 -8 -8 -3 19.26 3.57 8 8 -3 18.06 2.57 8 -8 3 19.30 3.44 8 -8 3 17.71 3.03 -8 -8 4 -3.02 3.98 8 -8 -4 4.84 2.92 8 -8 -4 1.94 4.02 -8 -8 4 8.04 2.72 8 8 4 6.53 2.84 8 -8 -4 5.90 2.71 8 -8 -4 5.16 4.06 -8 -8 -4 -2.84 3.13 8 -8 4 5.86 3.75 -8 -8 -4 4.00 3.18 8 8 -4 10.16 3.66 8 -8 4 3.17 3.01 8 -8 4 6.82 2.89 8 -8 4 10.26 4.85 -8 -8 5 2.17 3.94 8 -8 -5 2.52 1.76 8 -8 -5 -2.37 2.73 -8 -8 5 6.17 3.99 8 8 5 2.28 1.81 8 -8 -5 -0.58 2.78 8 -8 -5 -2.05 3.85 -8 -8 -5 2.14 3.16 8 -8 5 -0.32 3.82 -8 -8 -5 2.27 3.10 8 8 -5 1.98 2.45 8 -8 5 0.12 1.95 8 -8 5 4.77 4.25 8 -8 5 -4.58 3.24 -8 -8 6 51.61 3.34 8 -8 -6 49.29 3.61 -8 -8 6 46.84 5.22 8 -8 -6 51.74 5.45 8 -8 -6 53.18 3.27 -8 -8 -6 61.91 5.98 8 -8 6 54.69 5.17 -8 -8 -6 49.71 3.81 8 8 -6 57.04 4.90 8 -8 6 53.25 2.55 8 -8 6 52.67 5.33 8 -8 6 55.17 4.23 -8 -8 7 35.96 3.01 8 -8 -7 34.54 2.73 8 -8 -7 34.55 5.12 -8 -8 7 39.42 3.44 8 8 7 28.24 2.99 8 -8 -7 33.58 3.50 8 -8 -7 35.29 3.10 -8 -8 -7 35.79 3.97 -8 -8 -7 31.00 2.40 8 8 -7 37.04 3.05 8 -8 7 39.49 3.25 8 -8 7 35.09 5.15 8 -8 7 31.34 3.95 -8 -8 8 13.63 4.02 8 -8 -8 9.47 4.99 -8 -8 8 11.32 3.14 8 8 8 9.66 1.75 8 -8 -8 10.24 3.16 8 -8 -8 7.84 2.74 -8 -8 -8 9.58 5.45 8 -8 8 14.17 4.81 -8 -8 -8 11.76 2.02 8 8 -8 17.41 4.24 8 -8 8 11.35 1.83 -8 8 8 13.96 2.91 8 -8 8 17.05 3.22 8 -8 8 11.09 3.58 -8 -8 9 13.46 3.82 8 -8 -9 16.88 3.33 -8 -8 9 10.66 4.80 8 8 9 11.72 1.74 8 -8 -9 12.83 5.05 8 -8 -9 18.70 2.79 8 8 9 11.65 2.11 -8 -8 -9 17.67 3.73 8 -8 9 13.68 4.89 -8 -8 -9 11.23 2.79 8 8 -9 7.14 2.97 8 -8 9 14.91 2.70 -8 8 9 10.63 2.99 8 -8 9 9.98 3.33 8 -8 9 13.63 3.81 -8 -8 10 10.81 2.53 8 -8 -10 9.59 3.26 -8 -8 10 7.44 4.92 8 8 10 6.54 2.33 8 -8 -10 7.53 3.32 8 -8 -10 5.39 4.21 8 8 10 2.56 2.27 -8 -8 -10 10.83 5.63 8 -8 10 8.26 3.34 8 -8 10 8.98 1.79 -8 -8 -10 6.62 1.69 8 8 -10 10.36 2.97 8 -8 10 6.34 2.54 -8 8 10 8.78 2.86 8 -8 10 10.30 3.20 8 -8 10 5.65 3.60 -8 -8 11 1.52 2.35 8 -8 -11 -1.16 5.05 -8 -8 11 2.13 3.21 8 8 11 -0.88 1.35 8 -8 -11 1.68 3.31 8 -8 -11 5.40 4.04 8 8 11 1.75 1.61 -8 -8 -11 7.51 3.64 8 -8 11 1.65 3.22 8 -8 11 2.79 2.56 -8 -8 -11 3.68 2.32 8 8 -11 -0.53 4.33 8 -8 11 -1.01 2.28 -8 8 11 1.95 4.38 8 -8 11 0.44 4.92 8 -8 11 6.00 5.59 -8 -8 12 51.26 4.41 8 -8 -12 54.80 4.36 -8 -8 12 57.72 4.26 8 -8 -12 55.59 6.40 8 -8 -12 53.82 5.13 8 8 12 44.56 3.37 -8 -8 -12 63.58 6.99 8 -8 12 54.59 4.31 8 8 -12 56.57 5.64 -8 8 12 53.05 3.72 8 -8 12 51.42 4.26 8 -8 12 52.30 6.92 -8 -8 13 11.99 3.58 8 -8 -13 12.29 5.63 -8 -8 13 12.65 5.56 8 -8 -13 13.13 3.70 8 -8 -13 11.98 2.87 8 8 13 10.91 2.96 -8 -8 -13 11.06 4.21 8 -8 13 9.28 5.72 8 8 -13 11.61 3.37 -8 8 13 14.72 3.10 8 -8 13 21.05 3.49 8 -8 13 13.40 6.13 -8 -8 14 8.84 3.39 -8 -8 14 6.35 3.71 8 -8 -14 10.46 3.88 8 -8 -14 5.76 3.82 8 -8 -14 7.94 2.89 8 8 14 7.22 2.05 -8 -8 -14 8.81 6.06 8 -8 14 8.91 5.59 8 8 -14 8.98 3.38 -8 8 14 18.22 4.80 8 -8 14 -1.53 5.41 8 -8 14 7.68 4.07 -8 -8 -14 9.59 2.37 -8 -8 15 67.85 4.41 -8 -8 15 88.50 7.40 8 -8 -15 82.75 5.27 8 -8 -15 85.14 5.32 8 -8 -15 75.97 4.03 8 8 15 66.70 4.42 8 -8 15 77.28 5.36 -8 -8 -15 80.77 5.63 8 8 -15 83.74 4.73 -8 8 15 80.13 4.32 8 -8 15 80.09 5.12 8 -8 15 84.63 5.64 -8 -8 -15 68.57 5.32 -8 -8 16 128.39 8.58 8 -8 -16 118.86 8.74 8 -8 -16 126.16 8.92 8 -8 -16 124.20 4.88 8 -8 16 126.67 6.43 8 8 -16 127.91 5.90 -8 8 16 119.57 5.19 8 -8 16 125.96 8.51 8 -8 16 110.23 6.53 -8 -8 -16 108.28 4.81 -8 -8 17 23.09 4.53 8 -8 -17 28.89 4.45 8 -8 -17 33.74 6.49 8 -8 -17 31.40 3.43 8 8 17 26.02 4.06 8 -8 17 32.61 6.85 -8 -8 -17 27.39 4.73 8 8 -17 30.66 6.04 8 -8 17 30.07 4.19 -8 8 17 30.21 5.32 8 -8 17 31.52 4.70 -8 -8 -17 28.17 4.87 -8 -9 0 30.19 3.52 8 -9 0 28.00 2.76 -8 -9 0 27.58 2.88 8 9 0 29.96 3.82 8 -9 0 32.51 4.20 8 -9 0 32.12 3.29 -8 -9 1 4.76 4.60 8 -9 -1 1.12 3.36 -8 -9 1 6.28 3.85 8 9 1 -1.46 3.30 8 -9 -1 -1.44 2.49 8 -9 -1 1.01 2.70 -8 -9 -1 -0.07 4.72 8 -9 1 1.24 2.33 -8 -9 -1 2.04 2.41 8 9 -1 -0.81 3.44 8 -9 1 1.20 3.64 8 -9 1 3.78 2.85 -8 -9 2 4.62 2.86 8 -9 -2 2.48 3.34 -8 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1 3 12.60 2.04 10 -1 -3 13.41 3.48 10 -1 3 13.73 2.81 10 -1 3 10.99 3.17 10 1 -3 13.62 3.89 10 -1 3 15.09 3.42 10 1 -3 15.57 3.00 10 -1 3 10.84 3.29 10 -1 3 16.89 3.82 10 1 4 16.47 3.06 10 -1 -4 19.19 2.69 10 1 4 14.45 2.78 10 -1 -4 19.71 3.08 10 1 4 12.80 3.04 10 -1 -4 14.25 1.87 10 1 4 12.74 3.36 10 -1 -4 14.07 2.28 10 -1 4 13.75 4.61 10 -1 4 11.53 2.91 10 1 -4 16.83 2.73 10 -1 4 11.84 3.39 10 1 -4 12.84 3.09 10 -1 4 14.70 2.30 10 -1 4 14.47 4.00 10 1 5 27.95 4.81 10 -1 -5 19.93 2.91 10 1 5 16.09 2.58 10 1 5 16.10 3.21 10 -1 -5 15.47 4.97 10 1 5 19.04 2.14 10 -1 -5 14.39 2.69 10 1 5 19.24 2.35 10 -1 -5 15.71 2.26 10 -1 5 21.54 4.84 10 1 -5 20.61 2.83 10 -1 5 12.85 2.81 10 -1 5 15.96 3.02 10 1 -5 23.88 4.95 10 -1 5 19.49 3.60 10 -1 5 22.07 2.82 10 1 6 8.77 3.06 10 -1 -6 9.21 4.18 10 -1 -6 8.60 3.19 10 1 6 2.64 2.02 10 -1 -6 4.96 2.54 10 1 6 3.88 3.43 10 -1 -6 3.63 3.00 10 -1 6 8.24 3.16 10 1 -6 1.50 4.14 10 1 -6 15.23 4.80 10 -1 6 8.59 3.43 10 -1 6 5.26 4.00 10 1 7 0.68 3.20 10 -1 -7 -7.98 4.24 10 -1 -7 0.87 3.20 10 1 7 1.94 3.15 10 1 7 0.56 2.26 10 -1 7 -3.25 3.14 10 1 -7 1.69 2.78 10 1 -7 -2.84 3.20 10 -1 7 -1.74 3.49 10 -1 7 0.51 3.97 10 1 8 12.07 3.43 10 -1 -8 7.70 4.48 10 -1 -8 10.69 5.27 10 1 8 6.96 3.38 10 1 8 7.24 3.70 10 -1 8 9.91 5.30 10 1 -8 9.26 2.98 10 1 -8 12.93 3.48 10 -1 8 1.91 3.76 10 -1 8 4.43 2.79 10 1 9 36.85 5.99 10 -1 -9 31.42 5.38 10 -1 -9 32.49 6.08 10 1 9 28.45 2.72 10 1 9 31.73 3.00 10 -1 9 38.58 4.10 10 1 -9 38.65 3.59 10 1 -9 34.62 4.11 10 -1 9 34.29 4.41 10 -1 9 35.43 3.37 10 1 10 3.54 3.58 10 -1 -10 -0.20 4.80 10 -1 -10 2.53 3.58 10 1 10 -0.22 2.33 10 1 10 6.72 3.90 10 -1 10 0.34 3.52 10 1 -10 5.40 3.02 10 1 -10 2.37 3.58 10 -1 10 -1.55 3.95 10 -1 10 4.33 4.48 10 1 11 35.07 4.14 10 -1 -11 40.20 5.63 10 -1 -11 41.85 4.25 10 1 11 35.05 2.97 10 1 11 31.46 4.72 10 -1 11 38.51 6.51 10 1 -11 33.76 5.66 10 -1 11 32.73 4.71 10 -1 11 33.55 3.62 10 -2 0 106.57 5.48 10 -2 0 114.52 5.23 10 2 0 104.31 5.04 10 -2 0 109.49 4.27 10 2 0 109.11 5.97 10 -2 0 110.57 4.86 10 -2 0 107.44 4.18 10 -2 -1 3.47 3.40 10 -2 -1 2.15 2.27 10 2 1 1.42 2.00 10 -2 -1 -0.19 2.58 10 2 1 -1.59 2.47 10 -2 -1 2.93 2.04 10 -2 -1 5.14 3.65 10 -2 1 3.90 3.76 10 -2 1 0.74 2.13 10 2 -1 -1.25 3.36 10 -2 1 -2.30 3.66 10 2 -1 3.45 2.55 10 -2 1 0.52 2.15 10 -2 1 0.42 2.48 10 -2 -2 0.26 3.11 10 -2 -2 1.76 3.49 10 2 2 2.83 1.94 10 -2 -2 1.65 4.07 10 2 2 2.39 3.65 10 -2 -2 2.18 3.04 10 -2 -2 0.94 3.59 10 -2 2 3.65 3.92 10 -2 2 3.14 3.09 10 2 -2 4.06 2.31 10 -2 2 1.30 3.37 10 -2 2 1.69 3.30 10 -2 2 -2.70 3.90 10 -2 -3 -2.03 2.71 10 -2 -3 0.32 3.68 10 2 3 0.26 2.75 10 -2 -3 -3.10 2.81 10 2 3 2.63 3.34 10 -2 -3 0.59 1.96 10 -2 -3 1.05 3.51 10 -2 3 0.36 2.71 10 -2 3 0.48 1.95 10 2 -3 2.49 3.65 10 -2 3 -1.35 3.26 10 -2 3 -0.43 3.37 10 -2 3 3.14 3.95 10 2 4 77.32 5.63 10 -2 -4 69.01 3.62 10 2 4 59.08 3.64 10 -2 -4 71.42 5.66 10 2 4 62.16 3.16 10 -2 -4 66.42 3.95 10 -2 -4 68.92 4.65 10 -2 4 71.93 5.68 10 -2 4 66.00 4.00 10 2 -4 77.43 3.65 10 -2 4 65.97 4.14 10 -2 4 70.18 3.29 10 -2 4 68.79 5.35 10 2 5 29.73 3.35 10 -2 -5 29.79 3.10 10 -2 -5 33.42 3.48 10 2 5 25.16 2.40 10 -2 -5 28.93 2.26 10 2 5 25.86 2.26 10 -2 -5 28.64 2.72 10 -2 5 37.83 3.45 10 -2 5 27.38 3.09 10 2 -5 29.21 3.12 10 -2 5 28.62 2.29 10 -2 5 31.62 2.89 10 -2 5 30.08 3.17 10 2 6 13.88 5.03 10 -2 -6 21.64 3.02 10 -2 -6 18.85 3.54 10 2 6 18.38 3.07 10 -2 -6 17.15 3.21 10 2 6 17.71 3.31 10 -2 -6 17.95 2.55 10 -2 6 24.59 5.08 10 2 -6 16.37 4.52 10 -2 6 21.22 2.70 10 -2 6 20.69 3.08 10 2 7 20.56 3.52 10 -2 -7 24.14 3.14 10 -2 -7 24.81 5.37 10 2 7 19.65 3.24 10 -2 -7 18.77 2.12 10 2 7 14.20 2.30 10 -2 -7 15.27 2.52 10 -2 7 21.35 3.55 10 2 -7 18.16 3.13 10 -2 7 20.63 2.74 10 -2 7 15.43 4.66 10 2 8 73.57 6.53 10 -2 -8 62.81 4.08 10 -2 -8 72.19 6.64 10 2 8 62.48 3.07 10 -2 -8 66.96 3.92 10 2 8 56.63 4.40 10 -2 -8 60.63 4.59 10 -2 8 66.79 4.51 10 2 -8 64.74 4.06 10 -2 8 68.27 3.59 10 -2 8 60.19 4.02 10 2 9 -0.33 3.35 10 -2 -9 -1.48 4.63 10 -2 -9 0.48 3.50 10 2 9 0.59 3.22 10 -2 -9 0.59 1.77 10 2 9 1.54 2.24 10 -2 -9 0.87 3.18 10 -2 9 3.90 5.26 10 2 -9 2.40 4.61 10 -2 9 1.53 2.66 10 -2 9 2.71 2.99 10 2 10 17.79 5.76 10 -2 -10 13.32 5.17 10 -2 -10 19.59 3.87 10 2 10 18.05 3.67 10 -2 -10 12.00 3.01 10 2 10 17.60 4.00 10 -2 10 18.55 4.01 10 2 -10 19.87 5.11 10 -2 10 16.91 3.00 10 -2 10 20.82 4.96 10 2 11 33.41 6.45 10 -2 -11 27.05 5.63 10 -2 -11 33.62 4.37 10 2 11 31.35 4.17 10 2 11 32.16 4.42 10 -2 11 36.19 4.44 10 2 -11 35.79 5.49 10 -2 11 30.96 3.37 10 -2 11 32.49 5.43 10 -3 0 8.75 3.92 10 -3 0 10.85 3.64 10 3 0 15.20 3.52 10 -3 0 14.53 2.71 10 -3 0 13.16 3.59 10 -3 0 15.07 4.27 10 -3 -1 6.54 3.59 10 -3 -1 7.53 2.46 10 3 1 8.02 3.33 10 -3 -1 9.23 4.12 10 -3 -1 11.89 3.44 10 -3 -1 10.20 4.09 10 -3 1 4.40 4.00 10 -3 1 5.63 3.31 10 3 -1 6.09 2.35 10 -3 1 5.55 2.51 10 -3 1 8.12 2.39 10 -3 1 5.41 2.80 10 -3 -2 4.79 3.17 10 -3 -2 2.92 2.41 10 3 2 5.69 2.05 10 -3 -2 4.23 4.15 10 -3 -2 4.38 2.22 10 -3 -2 6.77 3.97 10 -3 2 1.75 2.69 10 -3 2 4.55 2.16 10 3 -2 4.13 2.36 10 -3 2 4.16 2.29 10 -3 2 4.29 2.34 10 -3 2 3.87 2.84 10 -3 -3 4.45 3.75 10 3 3 -0.96 1.94 10 -3 -3 2.14 2.76 10 3 3 -0.38 2.32 10 -3 -3 1.86 3.24 10 -3 -3 3.40 2.57 10 -3 3 1.64 2.78 10 -3 3 0.03 3.05 10 3 -3 2.89 3.73 10 -3 3 2.60 3.36 10 -3 3 2.23 3.66 10 -3 3 -1.52 4.26 10 -3 -4 104.05 5.73 10 3 4 89.70 3.18 10 -3 -4 101.46 6.45 10 3 4 87.65 5.03 10 -3 -4 97.83 3.59 10 -3 -4 96.38 4.01 10 -3 4 103.48 6.32 10 -3 4 95.36 4.53 10 3 -4 96.64 4.14 10 -3 4 94.33 3.42 10 -3 4 107.60 5.61 10 -3 4 97.55 6.33 10 -3 -5 13.24 2.93 10 3 5 10.86 2.66 10 -3 -5 19.35 3.34 10 3 5 14.76 3.32 10 -3 -5 16.98 3.45 10 -3 -5 14.74 2.80 10 -3 5 13.34 3.23 10 -3 5 11.40 1.97 10 3 -5 12.70 2.78 10 -3 5 13.35 2.09 10 -3 5 15.21 4.10 10 -3 5 14.88 4.83 10 3 6 6.08 3.24 10 -3 -6 7.93 2.91 10 -3 -6 3.75 3.28 10 -3 -6 8.94 3.20 10 -3 -6 4.47 2.64 10 -3 6 11.61 3.25 10 3 -6 6.17 4.26 10 -3 6 2.79 4.00 10 -3 6 2.00 3.03 10 3 7 33.65 5.45 10 -3 -7 33.48 3.41 10 -3 -7 31.45 5.80 10 -3 -7 25.63 2.57 10 -3 -7 33.02 4.15 10 -3 7 31.96 5.60 10 3 -7 31.69 3.38 10 -3 7 35.67 4.58 10 -3 7 31.60 3.60 10 3 8 15.61 3.49 10 -3 -8 15.35 3.16 10 -3 -8 10.43 3.57 10 3 8 8.10 3.04 10 -3 -8 7.04 3.33 10 3 8 5.10 3.14 10 -3 8 7.70 3.55 10 3 -8 10.31 3.11 10 -3 8 15.46 4.33 10 -3 8 11.15 4.87 10 3 9 29.38 3.84 10 -3 -9 32.81 3.50 10 -3 -9 26.42 3.94 10 3 9 23.10 3.40 10 -3 -9 22.78 2.44 10 3 9 21.84 3.50 10 -3 9 25.00 3.89 10 3 -9 27.52 5.14 10 -3 9 30.60 4.67 10 -3 9 28.78 5.38 10 3 10 4.87 5.44 10 -3 -10 0.66 3.18 10 -3 -10 1.35 5.55 10 3 10 2.26 2.12 10 -3 -10 0.80 3.10 10 3 10 3.35 2.10 10 -3 10 4.55 5.45 10 3 -10 -0.50 4.77 10 -3 10 2.14 2.90 10 -3 10 0.48 3.20 10 -4 0 177.36 7.28 10 -4 0 174.95 7.00 10 4 0 175.40 6.77 10 -4 0 181.40 5.61 10 -4 0 187.79 7.05 10 -4 0 176.65 6.02 10 -4 -1 4.85 3.57 10 -4 -1 3.10 2.56 10 4 1 8.52 3.39 10 -4 -1 8.70 4.20 10 -4 -1 7.24 3.76 10 -4 -1 7.88 2.99 10 -4 1 5.50 3.99 10 -4 1 7.60 3.50 10 4 -1 3.50 2.41 10 -4 1 9.07 2.52 10 -4 1 7.68 3.86 10 -4 1 7.36 4.68 10 -4 -2 -1.99 3.22 10 -4 -2 2.46 2.57 10 4 2 -0.42 3.08 10 -4 -2 1.87 4.27 10 -4 -2 2.78 2.35 10 -4 -2 -0.49 2.85 10 -4 2 -0.16 2.70 10 -4 2 3.60 2.18 10 4 -2 -1.64 2.38 10 -4 2 -0.02 2.35 10 -4 2 2.88 2.46 10 -4 2 -1.57 4.45 10 -4 -3 3.77 4.11 10 4 3 1.91 3.05 10 -4 -3 8.96 2.91 10 -4 -3 3.50 3.71 10 -4 -3 2.18 4.26 10 -4 3 3.81 4.28 10 -4 3 4.08 3.33 10 4 -3 1.97 3.89 10 -4 3 3.19 2.29 10 -4 3 6.93 2.66 10 -4 3 2.63 3.03 10 -4 -4 46.69 5.08 10 4 4 36.01 3.53 10 -4 -4 42.46 5.64 10 -4 -4 44.56 4.23 10 -4 -4 51.12 5.02 10 -4 4 46.40 3.63 10 -4 4 39.43 2.66 10 4 -4 51.47 3.27 10 -4 4 40.70 2.75 10 -4 4 39.22 3.30 10 -4 4 47.73 3.88 10 -4 -5 -0.99 4.31 10 4 5 -0.60 2.43 10 -4 -5 2.24 3.09 10 -4 -5 0.30 2.28 10 -4 -5 3.17 4.07 10 -4 5 0.72 4.56 10 -4 5 -0.97 2.86 10 4 -5 -1.91 3.96 10 -4 5 0.91 2.93 10 -4 5 1.46 2.64 10 -4 5 2.30 3.12 10 -4 -6 33.87 5.16 10 -4 -6 33.62 5.62 10 -4 -6 38.43 2.85 10 -4 -6 36.53 3.14 10 -4 6 39.62 3.87 10 4 -6 37.19 4.83 10 -4 6 32.28 3.32 10 -4 6 38.85 5.64 10 -4 -7 0.66 4.74 10 -4 -7 4.23 3.30 10 -4 -7 3.19 3.58 10 -4 7 1.85 3.33 10 4 -7 5.72 2.89 10 -4 7 3.14 2.72 10 -4 7 6.16 5.02 10 -4 -8 12.30 5.15 10 -4 -8 15.70 3.61 10 -4 -8 11.20 2.51 10 -4 8 15.42 5.38 10 4 -8 15.92 4.61 10 -4 8 11.42 3.08 10 -4 8 18.84 3.55 10 -4 -9 47.56 6.06 10 -4 -9 49.52 6.47 10 -4 -9 43.60 4.38 10 -4 9 41.50 6.45 10 4 -9 52.43 5.55 10 -4 9 41.73 5.33 10 -4 9 43.79 4.24 10 -5 0 103.98 5.96 -10 -5 0 101.56 6.51 10 -5 0 103.52 5.72 10 5 0 99.59 5.46 10 -5 0 105.21 4.32 10 -5 0 110.06 4.35 10 -5 0 111.29 6.98 10 -5 -1 3.17 3.59 -10 -5 1 4.02 4.29 10 -5 -1 2.08 2.54 10 5 1 0.43 3.37 10 -5 -1 2.99 4.09 10 -5 -1 -0.15 2.48 10 -5 -1 2.75 2.96 10 -5 1 -0.19 3.94 -10 -5 -1 4.68 4.56 10 -5 1 -1.38 3.71 10 5 -1 -0.83 2.32 10 -5 1 1.44 2.53 10 -5 1 1.01 3.92 10 -5 1 5.41 4.79 -10 -5 2 4.48 4.28 10 -5 -2 9.14 2.79 10 5 2 9.38 3.37 10 -5 -2 2.23 4.42 10 -5 -2 10.54 2.70 10 -5 -2 9.52 3.08 10 -5 2 11.04 2.84 -10 -5 -2 7.74 4.76 10 -5 2 7.77 2.41 10 5 -2 8.87 2.62 10 -5 2 5.64 2.56 10 -5 2 8.36 4.25 10 -5 2 8.02 3.27 -10 -5 3 2.73 4.00 10 -5 -3 0.38 2.84 10 5 3 -3.01 3.10 10 -5 -3 2.74 2.97 10 -5 -3 1.13 2.53 10 -5 -3 1.67 3.07 10 -5 3 1.84 4.34 -10 -5 -3 2.63 4.71 10 -5 3 -0.64 3.52 10 5 -3 2.87 3.94 10 -5 3 0.81 2.29 10 -5 3 -2.83 4.24 10 -5 3 3.01 3.19 -10 -5 4 120.79 6.23 10 -5 -4 125.23 5.05 10 -5 -4 129.57 7.30 10 -5 -4 126.61 6.19 10 -5 -4 135.64 7.03 10 -5 4 129.22 5.17 -10 -5 -4 132.27 7.89 10 -5 4 123.37 5.54 10 5 -4 125.39 4.70 10 -5 4 116.44 4.10 10 -5 4 122.60 6.84 10 -5 4 132.66 5.71 -10 -5 5 2.73 3.58 10 -5 -5 -2.12 2.97 10 5 5 1.81 1.72 10 -5 -5 -0.05 3.15 10 -5 -5 -0.31 3.92 10 -5 5 1.23 3.01 -10 -5 -5 4.16 3.33 10 -5 5 1.96 3.09 10 5 -5 0.94 4.13 10 -5 5 1.51 3.05 10 -5 5 0.60 4.38 10 -5 5 -4.42 5.14 -10 -5 6 2.51 2.18 10 -5 -6 3.95 3.04 10 -5 -6 1.34 4.95 10 -5 -6 2.97 2.55 10 -5 6 -3.77 4.88 -10 -5 -6 0.38 3.43 10 5 -6 0.99 2.86 10 -5 6 2.73 4.44 10 -5 6 3.73 5.21 10 -5 -7 42.55 3.95 10 -5 -7 46.66 4.22 10 -5 -7 40.84 3.15 10 -5 7 38.37 4.07 -10 -5 -7 42.12 4.37 10 5 -7 38.53 3.59 10 -5 7 37.97 5.41 10 -5 7 43.35 4.20 10 -6 0 57.81 5.27 -10 -6 0 67.19 6.06 10 -6 0 65.80 5.34 10 6 0 67.99 4.90 10 -6 0 61.53 3.81 10 -6 0 71.03 3.82 10 -6 0 69.08 6.49 10 -6 -1 10.35 3.94 -10 -6 1 13.96 4.85 10 6 1 9.71 3.70 10 -6 -1 15.45 3.05 10 -6 -1 14.01 2.97 10 -6 -1 16.70 3.58 10 -6 1 11.47 2.95 -10 -6 -1 16.56 5.04 10 -6 1 11.56 2.73 10 6 -1 8.53 2.68 10 -6 1 12.94 2.79 10 -6 1 12.47 3.04 10 -6 1 7.61 5.37 -10 -6 2 8.64 4.63 10 -6 -2 4.87 4.41 10 6 2 8.96 3.48 10 -6 -2 10.11 4.57 10 -6 -2 8.53 2.91 10 -6 -2 9.17 3.40 10 -6 2 7.29 4.43 -10 -6 -2 11.01 3.36 10 -6 2 10.10 2.68 10 6 -2 10.88 2.63 10 -6 2 10.98 2.52 10 -6 2 9.61 3.01 10 -6 2 8.59 3.57 -10 -6 3 8.92 4.53 10 -6 -3 12.22 4.70 10 6 3 8.58 3.41 10 -6 -3 15.40 3.13 10 -6 -3 8.16 4.43 10 -6 -3 12.70 3.29 10 -6 3 11.48 3.05 -10 -6 -3 12.54 3.52 10 -6 3 7.52 3.93 10 6 -3 13.11 4.22 10 -6 3 9.17 2.50 10 -6 3 17.57 3.08 10 -6 3 7.01 3.69 -10 -6 4 3.88 4.25 10 -6 -4 -0.98 4.55 10 6 4 0.24 3.07 10 -6 -4 1.42 4.76 10 -6 -4 2.51 4.24 10 -6 4 2.50 4.57 -10 -6 -4 0.97 3.37 10 -6 4 -0.60 3.62 10 6 -4 3.19 2.70 10 -6 4 4.20 2.29 10 -6 4 3.03 2.99 10 -6 4 4.48 3.61 0 0 0 0.00 0.00 _computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)' ; _shelx_hkl_checksum 55320 #============================================================================== # End of CIF #==============================================================================