data_feidq_dll30 _audit_creation_date 2014-06-13 _audit_creation_method ; Olex2 1.2 (compiled 2014.05.21 svn.r2940 for OlexSys, GUI svn.r4846) ; _shelxl_version_number 2013-2 _publ_contact_author_address ? _publ_contact_author_email ? _publ_contact_author_name '' _publ_contact_author_phone ? _publ_section_references ; Dolomanov, O.V., Bourhis, L.J., Gildea, R.J, Howard, J.A.K. & Puschmann, H. (2009), J. Appl. Cryst. 42, 339-341. Sheldrick, G.M. (2008). Acta Cryst. A64, 112-122. ; _chemical_name_common ? _chemical_name_systematic ; ? ; _chemical_formula_moiety 'C20 H26 O3' _chemical_formula_sum 'C20 H26 O3' _chemical_formula_weight 314.41 _chemical_absolute_configuration none _chemical_melting_point ? loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'C' 'C' 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'H' 'H' 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'O' 'O' 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; _space_group_crystal_system 'orthorhombic' _space_group_IT_number 19 _space_group_name_H-M_alt 'P 21 21 21' _space_group_name_Hall 'P 2ac 2ab' loop_ _space_group_symop_operation_xyz 'x, y, z' '-x+1/2, -y, z+1/2' 'x+1/2, -y+1/2, -z' '-x, y+1/2, -z+1/2' _cell_length_a 6.66247(9) _cell_length_b 16.2362(2) _cell_length_c 16.4824(3) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1782.96(4) _cell_formula_units_Z 4 _cell_measurement_reflns_used 5062 _cell_measurement_temperature 293.7(3) _cell_measurement_theta_max 70.7730 _cell_measurement_theta_min 5.3760 _shelx_estimated_absorpt_T_max ? _shelx_estimated_absorpt_T_min ? _exptl_absorpt_coefficient_mu 0.612 _exptl_absorpt_correction_T_max 1.00000 _exptl_absorpt_correction_T_min 0.72125 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; CrysAlisPro, Agilent Technologies, Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET) (compiled Feb 1 2013,16:14:44) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. ; _exptl_crystal_colour 'clear light colourless' _exptl_crystal_density_diffrn 1.171 _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_description plate _exptl_crystal_F_000 680 _exptl_crystal_size_max 0.27 _exptl_crystal_size_mid 0.12 _exptl_crystal_size_min 0.04 _exptl_special_details ; ? ; _exptl_transmission_factor_max ? _exptl_transmission_factor_min ? _diffrn_reflns_av_R_equivalents 0.0315 _diffrn_reflns_av_unetI/netI 0.0253 _diffrn_reflns_Laue_measured_fraction_full 0.999 _diffrn_reflns_Laue_measured_fraction_max 0.986 _diffrn_reflns_limit_h_max 8 _diffrn_reflns_limit_h_min -7 _diffrn_reflns_limit_k_max 19 _diffrn_reflns_limit_k_min -19 _diffrn_reflns_limit_l_max 20 _diffrn_reflns_limit_l_min -15 _diffrn_reflns_number 8123 _diffrn_reflns_point_group_measured_fraction_full 0.937 _diffrn_reflns_point_group_measured_fraction_max 0.916 _diffrn_reflns_theta_full 67.680 _diffrn_reflns_theta_max 70.659 _diffrn_reflns_theta_min 3.821 _diffrn_ambient_temperature 293.7(3) _diffrn_detector_area_resol_mean 16.0733 _diffrn_measured_fraction_theta_full 0.999 _diffrn_measured_fraction_theta_max 0.986 _diffrn_measurement_details ; #__ type_ start__ end____ width___ exp.time_ 1 omega -82.00 -57.00 1.0000 2.0000 omega____ theta____ kappa____ phi______ frames - 0.0000 178.0000 120.0000 25 #__ type_ start__ end____ width___ exp.time_ 2 omega -78.00 -37.00 1.0000 2.0000 omega____ theta____ kappa____ phi______ frames - 0.0000 178.0000 -150.0000 41 #__ type_ start__ end____ width___ exp.time_ 3 omega -65.00 -24.00 1.0000 4.0000 omega____ theta____ kappa____ phi______ frames - -42.5000 57.0000 -120.0000 41 #__ type_ start__ end____ width___ exp.time_ 4 omega -1.00 25.00 1.0000 4.0000 omega____ theta____ kappa____ phi______ frames - -42.5000 38.0000 -60.0000 26 #__ type_ start__ end____ width___ exp.time_ 5 omega 44.00 115.00 1.0000 4.0000 omega____ theta____ kappa____ phi______ frames - 56.0000 -125.0000 90.0000 71 #__ type_ start__ end____ width___ exp.time_ 6 omega -10.00 26.00 1.0000 4.0000 omega____ theta____ kappa____ phi______ frames - 56.0000 19.0000 120.0000 36 #__ type_ start__ end____ width___ exp.time_ 7 omega 30.00 121.00 1.0000 4.0000 omega____ theta____ kappa____ phi______ frames - 56.0000 19.0000 120.0000 91 #__ type_ start__ end____ width___ exp.time_ 8 omega 51.00 96.00 1.0000 9.0000 omega____ theta____ kappa____ phi______ frames - 112.0000 -50.0000 -180.0000 45 #__ type_ start__ end____ width___ exp.time_ 9 omega 43.00 100.00 1.0000 9.0000 omega____ theta____ kappa____ phi______ frames - 112.0000 -50.0000 -120.0000 57 #__ type_ start__ end____ width___ exp.time_ 10 omega 139.00 165.00 1.0000 9.0000 omega____ theta____ kappa____ phi______ frames - 112.0000 111.0000 -90.0000 26 #__ type_ start__ end____ width___ exp.time_ 11 omega 107.00 163.00 1.0000 9.0000 omega____ theta____ kappa____ phi______ frames - 112.0000 63.0000 0.0000 56 #__ type_ start__ end____ width___ exp.time_ 12 omega 112.00 138.00 1.0000 9.0000 omega____ theta____ kappa____ phi______ frames - 112.0000 111.0000 -90.0000 26 #__ type_ start__ end____ width___ exp.time_ 13 omega 53.00 84.00 1.0000 9.0000 omega____ theta____ kappa____ phi______ frames - 112.0000 -25.0000 90.0000 31 #__ type_ start__ end____ width___ exp.time_ 14 omega 53.00 96.00 1.0000 9.0000 omega____ theta____ kappa____ phi______ frames - 112.0000 -50.0000 -60.0000 43 #__ type_ start__ end____ width___ exp.time_ 15 omega 40.00 79.00 1.0000 9.0000 omega____ theta____ kappa____ phi______ frames - 112.0000 -38.0000 30.0000 39 #__ type_ start__ end____ width___ exp.time_ 16 omega -25.00 71.00 1.0000 2.0000 omega____ theta____ kappa____ phi______ frames - 0.0000 54.0000 49.0000 96 #__ type_ start__ end____ width___ exp.time_ 17 omega -114.00 -18.00 1.0000 4.0000 omega____ theta____ kappa____ phi______ frames - -42.5000 -54.0000 -94.0000 96 #__ type_ start__ end____ width___ exp.time_ 18 omega 24.00 128.00 1.0000 4.0000 omega____ theta____ kappa____ phi______ frames - 56.0000 75.0000 166.6641 104 #__ type_ start__ end____ width___ exp.time_ 19 omega -17.00 87.00 1.0000 4.0000 omega____ theta____ kappa____ phi______ frames - 56.0000 -38.0000 30.0000 104 #__ type_ start__ end____ width___ exp.time_ 20 omega -15.00 80.00 1.0000 4.0000 omega____ theta____ kappa____ phi______ frames - 56.0000 -57.0000 -90.0000 95 #__ type_ start__ end____ width___ exp.time_ 21 omega 68.00 175.00 1.0000 9.0000 omega____ theta____ kappa____ phi______ frames - 112.0000 25.0000 -150.0000 107 ; _diffrn_measurement_device_type 'SuperNova, Dual, Cu at zero, Eos' _diffrn_measurement_method '\w scans' _diffrn_orient_matrix_UB_11 -0.1397772000 _diffrn_orient_matrix_UB_12 -0.0740954000 _diffrn_orient_matrix_UB_13 0.0146491000 _diffrn_orient_matrix_UB_21 0.0592918000 _diffrn_orient_matrix_UB_22 -0.0358011000 _diffrn_orient_matrix_UB_23 -0.0831571000 _diffrn_orient_matrix_UB_31 0.1743691000 _diffrn_orient_matrix_UB_32 -0.0472515000 _diffrn_orient_matrix_UB_33 0.0400809000 _diffrn_radiation_monochromator mirror _diffrn_radiation_type CuK\a _diffrn_radiation_wavelength 1.5418 _diffrn_source 'SuperNova (Cu) X-ray Source' _reflns_Friedel_coverage 0.603 _reflns_Friedel_fraction_full 0.851 _reflns_Friedel_fraction_max 0.820 _reflns_number_gt 2979 _reflns_number_total 3140 _reflns_odcompleteness_completeness 99.89 _reflns_odcompleteness_iscentric 1 _reflns_odcompleteness_theta 66.97 _reflns_special_details ; Reflections were merged by SHELXL according to the crystal class for the calculation of statistics and refinement. _reflns_Friedel_fraction is defined as the number of unique Friedel pairs measured divided by the number that would be possible theoretically, ignoring centric projections and systematic absences. ; _reflns_threshold_expression 'I > 2\s(I)' _computing_cell_refinement ; CrysAlisPro, Agilent Technologies, Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET) (compiled Feb 1 2013,16:14:44) ; _computing_data_collection ; CrysAlisPro, Agilent Technologies, Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET) (compiled Feb 1 2013,16:14:44) ; _computing_data_reduction ; CrysAlisPro, Agilent Technologies, Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET) (compiled Feb 1 2013,16:14:44) ; _computing_molecular_graphics 'Olex2 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 (Dolomanov et al., 2009)' _computing_structure_refinement 'ShelXL (Sheldrick, 2008)' _computing_structure_solution 'ShelXS (Sheldrick, 2008)' _refine_diff_density_max 0.131 _refine_diff_density_min -0.235 _refine_diff_density_rms 0.043 _refine_ls_abs_structure_details ; Flack x determined using 1076 quotients [(I+)-(I-)]/[(I+)+(I-)] (Parsons and Flack (2004), Acta Cryst. A60, s61). ; _refine_ls_abs_structure_Flack 0.12(11) _refine_ls_extinction_coef . _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.037 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 214 _refine_ls_number_reflns 3140 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0447 _refine_ls_R_factor_gt 0.0426 _refine_ls_restrained_S_all 1.037 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details ; w=1/[\s^2^(Fo^2^)+(0.0770P)^2^+0.1196P] where P=(Fo^2^+2Fc^2^)/3 ; _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1128 _refine_ls_wR_factor_ref 0.1163 _refine_special_details ; ? ; _olex2_refinement_description ; 1. Fixed Uiso At 1.2 times of: All C(H) groups, All C(H,H) groups At 1.5 times of: All C(H,H,H) groups, All O(H) groups 2.a Ternary CH refined with riding coordinates: C3(H3), C5(H5), C6(H6), C8(H8), C10(H10), C11(H11) 2.b Secondary CH2 refined with riding coordinates: C7(H7A,H7B) 2.c Aromatic/amide H refined with riding coordinates: C1(H1), C12(H12) 2.d Idealised Me refined as rotating group: C16(H16A,H16B,H16C), C17(H17A,H17B,H17C), C18(H18A,H18B,H18C), C19(H19A,H19B, H19C), C20(H20A,H20B,H20C) 2.e Idealised tetrahedral OH refined as rotating group: O2(H2) ; _atom_sites_solution_hydrogens geom _atom_sites_solution_primary direct _atom_sites_solution_secondary ? 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 0.1800(2) 0.52034(9) 0.96943(11) 0.0430(4) Uani 1 1 d . . . . . O2 O 0.2277(3) 0.73505(9) 0.97587(13) 0.0524(5) Uani 1 1 d . . . . . H2 H 0.3218 0.7668 0.9829 0.079 Uiso 1 1 calc GR . . . . O3 O -0.0611(2) 0.61235(11) 0.99588(15) 0.0634(6) Uani 1 1 d . . . . . C1 C 0.3808(5) 0.53592(16) 0.81063(16) 0.0552(6) Uani 1 1 d . . . . . H1 H 0.3555 0.5225 0.7567 0.066 Uiso 1 1 calc R . . . . C2 C 0.3790(4) 0.61286(15) 0.83793(15) 0.0467(5) Uani 1 1 d . . . . . C3 C 0.4310(3) 0.61395(12) 0.92776(13) 0.0364(4) Uani 1 1 d . . . . . H3 H 0.5707 0.6307 0.9364 0.044 Uiso 1 1 calc R . . . . C4 C 0.3989(3) 0.52349(12) 0.95130(13) 0.0363(5) Uani 1 1 d . . . . . C5 C 0.4273(4) 0.47215(14) 0.87433(14) 0.0475(6) Uani 1 1 d . . . . . H5 H 0.3257 0.4285 0.8725 0.057 Uiso 1 1 calc R . . . . C6 C 0.6369(5) 0.43364(15) 0.86958(16) 0.0560(7) Uani 1 1 d . . . . . H6 H 0.7330 0.4728 0.8927 0.067 Uiso 1 1 calc R . . . . C7 C 0.6499(6) 0.35251(16) 0.91900(18) 0.0672(8) Uani 1 1 d . . . . . H7A H 0.5964 0.3091 0.8848 0.081 Uiso 1 1 calc R . . . . H7B H 0.7913 0.3406 0.9266 0.081 Uiso 1 1 calc R . . . . C8 C 0.5505(4) 0.34396(13) 1.00097(16) 0.0530(6) Uani 1 1 d . . . . . H8 H 0.4589 0.2968 1.0037 0.064 Uiso 1 1 calc R . . . . C9 C 0.6565(4) 0.36019(13) 1.08055(16) 0.0490(6) Uani 1 1 d . . . . . C10 C 0.4846(4) 0.41525(13) 1.05482(14) 0.0425(5) Uani 1 1 d . . . . . H10 H 0.3589 0.4059 1.0842 0.051 Uiso 1 1 calc R . . . . C11 C 0.5161(3) 0.50270(12) 1.02693(13) 0.0362(4) Uani 1 1 d . . . . . H11 H 0.6585 0.5081 1.0132 0.043 Uiso 1 1 calc R . . . . C12 C 0.4713(4) 0.56688(14) 1.09041(15) 0.0438(5) Uani 1 1 d . . . . . H12 H 0.5133 0.5569 1.1433 0.053 Uiso 1 1 calc R . . . . C13 C 0.3749(3) 0.63730(13) 1.07519(14) 0.0425(5) Uani 1 1 d . . . . . C14 C 0.2920(3) 0.65390(12) 0.98981(14) 0.0396(5) Uani 1 1 d . . . . . C15 C 0.1128(3) 0.59684(13) 0.98537(15) 0.0434(5) Uani 1 1 d . . . . . C16 C 0.3446(5) 0.68922(18) 0.78887(18) 0.0630(7) Uani 1 1 d . . . . . H16A H 0.2398 0.7213 0.8134 0.094 Uiso 1 1 calc GR . . . . H16B H 0.3058 0.6743 0.7347 0.094 Uiso 1 1 calc GR . . . . H16C H 0.4659 0.7210 0.7870 0.094 Uiso 1 1 calc GR . . . . C17 C 0.7009(8) 0.4150(2) 0.7827(2) 0.0991(15) Uani 1 1 d . . . . . H17A H 0.5980 0.3835 0.7562 0.149 Uiso 1 1 calc GR . . . . H17B H 0.8236 0.3840 0.7832 0.149 Uiso 1 1 calc GR . . . . H17C H 0.7213 0.4658 0.7539 0.149 Uiso 1 1 calc GR . . . . C18 C 0.6164(5) 0.30020(18) 1.1491(2) 0.0707(8) Uani 1 1 d . . . . . H18A H 0.4767 0.2857 1.1495 0.106 Uiso 1 1 calc GR . . . . H18B H 0.6511 0.3254 1.1999 0.106 Uiso 1 1 calc GR . . . . H18C H 0.6959 0.2515 1.1415 0.106 Uiso 1 1 calc GR . . . . C19 C 0.8687(4) 0.39209(17) 1.0803(2) 0.0633(7) Uani 1 1 d . . . . . H19A H 0.9605 0.3465 1.0812 0.095 Uiso 1 1 calc GR . . . . H19B H 0.8900 0.4259 1.1273 0.095 Uiso 1 1 calc GR . . . . H19C H 0.8909 0.4242 1.0322 0.095 Uiso 1 1 calc GR . . . . C20 C 0.3258(5) 0.69936(18) 1.13977(18) 0.0655(8) Uani 1 1 d . . . . . H20A H 0.3813 0.7519 1.1251 0.098 Uiso 1 1 calc GR . . . . H20B H 0.3819 0.6818 1.1905 0.098 Uiso 1 1 calc GR . . . . H20C H 0.1827 0.7041 1.1449 0.098 Uiso 1 1 calc GR . . . . 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 0.0311(7) 0.0345(7) 0.0633(10) -0.0002(7) 0.0004(7) -0.0073(6) O2 0.0429(9) 0.0310(7) 0.0834(13) -0.0009(7) -0.0060(9) 0.0041(6) O3 0.0294(8) 0.0513(9) 0.1095(16) 0.0042(10) 0.0043(9) 0.0015(7) C1 0.0669(16) 0.0532(13) 0.0457(12) -0.0044(10) -0.0069(13) -0.0019(13) C2 0.0439(12) 0.0470(11) 0.0491(12) 0.0064(10) -0.0044(11) -0.0045(10) C3 0.0297(9) 0.0310(9) 0.0484(11) 0.0012(8) -0.0010(9) -0.0054(8) C4 0.0320(10) 0.0298(9) 0.0472(11) -0.0013(8) 0.0026(9) -0.0042(7) C5 0.0592(15) 0.0371(11) 0.0463(12) -0.0062(9) -0.0014(11) -0.0037(10) C6 0.0692(17) 0.0441(12) 0.0548(13) -0.0057(11) 0.0160(13) 0.0052(12) C7 0.091(2) 0.0427(12) 0.0680(16) -0.0041(12) 0.0127(17) 0.0175(15) C8 0.0601(14) 0.0315(10) 0.0673(15) 0.0026(10) 0.0047(13) -0.0009(10) C9 0.0471(12) 0.0383(11) 0.0617(14) 0.0126(10) 0.0098(12) 0.0028(10) C10 0.0371(11) 0.0379(11) 0.0525(12) 0.0041(9) 0.0091(9) -0.0027(9) C11 0.0317(10) 0.0335(9) 0.0435(10) -0.0003(8) 0.0026(9) 0.0001(7) C12 0.0412(11) 0.0461(11) 0.0440(11) -0.0049(10) -0.0006(10) 0.0019(10) C13 0.0350(10) 0.0416(11) 0.0510(12) -0.0086(9) 0.0018(10) 0.0002(9) C14 0.0303(9) 0.0292(9) 0.0594(13) -0.0014(9) -0.0029(9) 0.0003(8) C15 0.0294(10) 0.0386(10) 0.0622(13) 0.0022(9) -0.0010(10) -0.0013(8) C16 0.0640(17) 0.0602(15) 0.0647(16) 0.0190(13) -0.0119(14) -0.0015(13) C17 0.151(4) 0.079(2) 0.067(2) -0.0002(16) 0.038(2) 0.039(3) C18 0.076(2) 0.0563(15) 0.080(2) 0.0260(14) 0.0139(17) 0.0053(15) C19 0.0444(13) 0.0533(14) 0.092(2) 0.0161(14) 0.0031(15) 0.0070(11) C20 0.0702(19) 0.0611(15) 0.0653(16) -0.0193(13) 0.0065(15) 0.0131(14) _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 C4 1.489(2) . ? O1 C15 1.346(3) . ? O2 H2 0.8200 . ? O2 C14 1.404(2) . ? O3 C15 1.199(3) . ? C1 H1 0.9300 . ? C1 C2 1.328(4) . ? C1 C5 1.507(3) . ? C2 C3 1.521(3) . ? C2 C16 1.498(3) . ? C3 H3 0.9800 . ? C3 C4 1.534(3) . ? C3 C14 1.525(3) . ? C4 C5 1.530(3) . ? C4 C11 1.509(3) . ? C5 H5 0.9800 . ? C5 C6 1.532(4) . ? C6 H6 0.9800 . ? C6 C7 1.551(4) . ? C6 C17 1.525(4) . ? C7 H7A 0.9700 . ? C7 H7B 0.9700 . ? C7 C8 1.511(4) . ? C8 H8 0.9800 . ? C8 C9 1.513(4) . ? C8 C10 1.523(3) . ? C9 C10 1.513(3) . ? C9 C18 1.516(3) . ? C9 C19 1.506(4) . ? C10 H10 0.9800 . ? C10 C11 1.507(3) . ? C11 H11 0.9800 . ? C11 C12 1.506(3) . ? C12 H12 0.9300 . ? C12 C13 1.335(3) . ? C13 C14 1.536(3) . ? C13 C20 1.502(3) . ? C14 C15 1.513(3) . ? C16 H16A 0.9600 . ? C16 H16B 0.9600 . ? C16 H16C 0.9600 . ? C17 H17A 0.9600 . ? C17 H17B 0.9600 . ? C17 H17C 0.9600 . ? C18 H18A 0.9600 . ? C18 H18B 0.9600 . ? C18 H18C 0.9600 . ? C19 H19A 0.9600 . ? C19 H19B 0.9600 . ? C19 H19C 0.9600 . ? C20 H20A 0.9600 . ? C20 H20B 0.9600 . ? C20 H20C 0.9600 . ? 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 O1 C4 109.44(15) . . ? C14 O2 H2 109.5 . . ? C2 C1 H1 122.8 . . ? C2 C1 C5 114.3(2) . . ? C5 C1 H1 122.8 . . ? C1 C2 C3 109.8(2) . . ? C1 C2 C16 126.7(2) . . ? C16 C2 C3 123.4(2) . . ? C2 C3 H3 111.2 . . ? C2 C3 C4 101.72(17) . . ? C2 C3 C14 121.30(19) . . ? C4 C3 H3 111.2 . . ? C14 C3 H3 111.2 . . ? C14 C3 C4 98.79(16) . . ? O1 C4 C3 102.73(16) . . ? O1 C4 C5 105.60(17) . . ? O1 C4 C11 109.45(17) . . ? C5 C4 C3 107.14(17) . . ? C11 C4 C3 110.54(17) . . ? C11 C4 C5 119.94(18) . . ? C1 C5 C4 100.25(18) . . ? C1 C5 H5 109.5 . . ? C1 C5 C6 115.6(2) . . ? C4 C5 H5 109.5 . . ? C4 C5 C6 112.2(2) . . ? C6 C5 H5 109.5 . . ? C5 C6 H6 108.1 . . ? C5 C6 C7 111.8(2) . . ? C7 C6 H6 108.1 . . ? C17 C6 C5 112.6(3) . . ? C17 C6 H6 108.1 . . ? C17 C6 C7 108.0(2) . . ? C6 C7 H7A 106.9 . . ? C6 C7 H7B 106.9 . . ? H7A C7 H7B 106.7 . . ? C8 C7 C6 121.5(2) . . ? C8 C7 H7A 106.9 . . ? C8 C7 H7B 106.9 . . ? C7 C8 H8 112.7 . . ? C7 C8 C9 123.7(2) . . ? C7 C8 C10 125.3(2) . . ? C9 C8 H8 112.7 . . ? C9 C8 C10 59.79(16) . . ? C10 C8 H8 112.7 . . ? C8 C9 C10 60.45(16) . . ? C8 C9 C18 116.9(2) . . ? C10 C9 C18 117.1(2) . . ? C19 C9 C8 119.7(2) . . ? C19 C9 C10 120.43(19) . . ? C19 C9 C18 112.9(2) . . ? C8 C10 H10 114.6 . . ? C9 C10 C8 59.75(17) . . ? C9 C10 H10 114.6 . . ? C11 C10 C8 119.88(19) . . ? C11 C10 C9 122.5(2) . . ? C11 C10 H10 114.6 . . ? C4 C11 H11 106.9 . . ? C10 C11 C4 113.01(18) . . ? C10 C11 H11 106.9 . . ? C12 C11 C4 108.46(17) . . ? C12 C11 C10 114.36(19) . . ? C12 C11 H11 106.9 . . ? C11 C12 H12 118.1 . . ? C13 C12 C11 123.8(2) . . ? C13 C12 H12 118.1 . . ? C12 C13 C14 119.7(2) . . ? C12 C13 C20 123.1(2) . . ? C20 C13 C14 117.0(2) . . ? O2 C14 C3 118.3(2) . . ? O2 C14 C13 115.11(18) . . ? O2 C14 C15 109.01(17) . . ? C3 C14 C13 108.77(16) . . ? C15 C14 C3 100.74(16) . . ? C15 C14 C13 102.74(18) . . ? O1 C15 C14 108.19(17) . . ? O3 C15 O1 122.9(2) . . ? O3 C15 C14 128.9(2) . . ? C2 C16 H16A 109.5 . . ? C2 C16 H16B 109.5 . . ? C2 C16 H16C 109.5 . . ? H16A C16 H16B 109.5 . . ? H16A C16 H16C 109.5 . . ? H16B C16 H16C 109.5 . . ? C6 C17 H17A 109.5 . . ? C6 C17 H17B 109.5 . . ? C6 C17 H17C 109.5 . . ? H17A C17 H17B 109.5 . . ? H17A C17 H17C 109.5 . . ? H17B C17 H17C 109.5 . . ? C9 C18 H18A 109.5 . . ? C9 C18 H18B 109.5 . . ? C9 C18 H18C 109.5 . . ? H18A C18 H18B 109.5 . . ? H18A C18 H18C 109.5 . . ? H18B C18 H18C 109.5 . . ? C9 C19 H19A 109.5 . . ? C9 C19 H19B 109.5 . . ? C9 C19 H19C 109.5 . . ? H19A C19 H19B 109.5 . . ? H19A C19 H19C 109.5 . . ? H19B C19 H19C 109.5 . . ? C13 C20 H20A 109.5 . . ? C13 C20 H20B 109.5 . . ? C13 C20 H20C 109.5 . . ? H20A C20 H20B 109.5 . . ? H20A C20 H20C 109.5 . . ? H20B C20 H20C 109.5 . . ? 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 O1 C4 C5 C1 84.8(2) . . . . ? O1 C4 C5 C6 -151.95(19) . . . . ? O1 C4 C11 C10 65.5(2) . . . . ? O1 C4 C11 C12 -62.4(2) . . . . ? O2 C14 C15 O1 158.1(2) . . . . ? O2 C14 C15 O3 -23.9(4) . . . . ? C1 C2 C3 C4 -16.7(3) . . . . ? C1 C2 C3 C14 -124.7(2) . . . . ? C1 C5 C6 C7 -162.9(2) . . . . ? C1 C5 C6 C17 -41.2(3) . . . . ? C2 C1 C5 C4 14.5(3) . . . . ? C2 C1 C5 C6 -106.4(3) . . . . ? C2 C3 C4 O1 -85.61(19) . . . . ? C2 C3 C4 C5 25.4(2) . . . . ? C2 C3 C4 C11 157.70(17) . . . . ? C2 C3 C14 O2 -51.8(3) . . . . ? C2 C3 C14 C13 174.32(18) . . . . ? C2 C3 C14 C15 66.8(2) . . . . ? C3 C4 C5 C1 -24.2(2) . . . . ? C3 C4 C5 C6 99.1(2) . . . . ? C3 C4 C11 C10 177.97(17) . . . . ? C3 C4 C11 C12 50.1(2) . . . . ? C3 C14 C15 O1 32.9(2) . . . . ? C3 C14 C15 O3 -149.1(3) . . . . ? C4 O1 C15 O3 174.2(2) . . . . ? C4 O1 C15 C14 -7.7(2) . . . . ? C4 C3 C14 O2 -161.40(18) . . . . ? C4 C3 C14 C13 64.77(19) . . . . ? C4 C3 C14 C15 -42.8(2) . . . . ? C4 C5 C6 C7 82.9(3) . . . . ? C4 C5 C6 C17 -155.3(3) . . . . ? C4 C11 C12 C13 -11.5(3) . . . . ? C5 C1 C2 C3 1.4(3) . . . . ? C5 C1 C2 C16 177.8(3) . . . . ? C5 C4 C11 C10 -56.7(3) . . . . ? C5 C4 C11 C12 175.45(19) . . . . ? C5 C6 C7 C8 -40.6(4) . . . . ? C6 C7 C8 C9 -93.5(3) . . . . ? C6 C7 C8 C10 -19.1(5) . . . . ? C7 C8 C9 C10 114.5(2) . . . . ? C7 C8 C9 C18 -138.1(3) . . . . ? C7 C8 C9 C19 4.2(3) . . . . ? C7 C8 C10 C9 -112.0(3) . . . . ? C7 C8 C10 C11 0.4(4) . . . . ? C8 C9 C10 C11 -108.2(2) . . . . ? C8 C10 C11 C4 63.4(3) . . . . ? C8 C10 C11 C12 -171.8(2) . . . . ? C9 C8 C10 C11 112.5(2) . . . . ? C9 C10 C11 C4 134.6(2) . . . . ? C9 C10 C11 C12 -100.7(3) . . . . ? C10 C8 C9 C18 107.4(3) . . . . ? C10 C8 C9 C19 -110.3(2) . . . . ? C10 C11 C12 C13 -138.6(2) . . . . ? C11 C4 C5 C1 -151.1(2) . . . . ? C11 C4 C5 C6 -27.9(3) . . . . ? C11 C12 C13 C14 3.6(3) . . . . ? C11 C12 C13 C20 178.0(2) . . . . ? C12 C13 C14 O2 -168.5(2) . . . . ? C12 C13 C14 C3 -33.0(3) . . . . ? C12 C13 C14 C15 73.2(2) . . . . ? C13 C14 C15 O1 -79.3(2) . . . . ? C13 C14 C15 O3 98.6(3) . . . . ? C14 C3 C4 O1 39.08(19) . . . . ? C14 C3 C4 C5 150.06(18) . . . . ? C14 C3 C4 C11 -77.6(2) . . . . ? C15 O1 C4 C3 -20.6(2) . . . . ? C15 O1 C4 C5 -132.74(19) . . . . ? C15 O1 C4 C11 96.9(2) . . . . ? C16 C2 C3 C4 166.8(2) . . . . ? C16 C2 C3 C14 58.8(3) . . . . ? C17 C6 C7 C8 -164.9(3) . . . . ? C18 C9 C10 C8 -107.1(3) . . . . ? C18 C9 C10 C11 144.7(3) . . . . ? C19 C9 C10 C8 109.1(3) . . . . ? C19 C9 C10 C11 0.9(4) . . . . ? C20 C13 C14 O2 16.9(3) . . . . ? C20 C13 C14 C3 152.3(2) . . . . ? C20 C13 C14 C15 -101.5(2) . . . . ? _shelx_res_file ; TITL feidq_DLL30 in P212121 #19 CELL 1.5418 6.662469 16.236183 16.482435 90 90 90 ZERR 4 0.00009 0.000216 0.000256 0 0 0 LATT -1 SYMM 0.5-X,-Y,0.5+Z SYMM 0.5+X,0.5-Y,-Z SYMM -X,0.5+Y,0.5-Z SFAC C H O UNIT 80 104 12 L.S. 10 PLAN 20 BOND $H HTAB MORE -1 CONF fmap 2 acta REM D:/olex2_feidq_DLL30/feidq_DLL30.hkl WGHT 0.077000 0.119600 FVAR 6.02343 O1 3 0.179990 0.520336 0.969431 11.00000 0.03113 0.03451 = 0.06325 -0.00017 0.00041 -0.00730 O2 3 0.227724 0.735049 0.975868 11.00000 0.04293 0.03096 = 0.08340 -0.00094 -0.00605 0.00410 AFIX 147 H2 2 0.321826 0.766802 0.982925 11.00000 -1.50000 AFIX 0 O3 3 -0.061133 0.612353 0.995883 11.00000 0.02942 0.05131 = 0.10947 0.00417 0.00432 0.00146 C1 1 0.380783 0.535919 0.810630 11.00000 0.06690 0.05317 = 0.04566 -0.00440 -0.00690 -0.00194 AFIX 43 H1 2 0.355477 0.522520 0.756733 11.00000 -1.20000 AFIX 0 C2 1 0.378969 0.612860 0.837930 11.00000 0.04392 0.04697 = 0.04910 0.00637 -0.00440 -0.00445 C3 1 0.431030 0.613954 0.927756 11.00000 0.02975 0.03103 = 0.04836 0.00123 -0.00104 -0.00542 AFIX 13 H3 2 0.570728 0.630692 0.936399 11.00000 -1.20000 AFIX 0 C4 1 0.398867 0.523491 0.951299 11.00000 0.03201 0.02978 = 0.04721 -0.00125 0.00257 -0.00418 C5 1 0.427295 0.472146 0.874330 11.00000 0.05922 0.03710 = 0.04631 -0.00616 -0.00141 -0.00367 AFIX 13 H5 2 0.325686 0.428541 0.872530 11.00000 -1.20000 AFIX 0 C6 1 0.636884 0.433638 0.869579 11.00000 0.06919 0.04410 = 0.05478 -0.00569 0.01596 0.00521 AFIX 13 H6 2 0.733038 0.472837 0.892678 11.00000 -1.20000 AFIX 0 C7 1 0.649884 0.352506 0.919003 11.00000 0.09088 0.04268 = 0.06805 -0.00414 0.01270 0.01753 AFIX 23 H7A 2 0.596351 0.309107 0.884834 11.00000 -1.20000 H7B 2 0.791306 0.340604 0.926625 11.00000 -1.20000 AFIX 0 C8 1 0.550543 0.343960 1.000971 11.00000 0.06011 0.03149 = 0.06730 0.00265 0.00468 -0.00088 AFIX 13 H8 2 0.458869 0.296841 1.003743 11.00000 -1.20000 AFIX 0 C9 1 0.656477 0.360192 1.080550 11.00000 0.04714 0.03831 = 0.06168 0.01255 0.00978 0.00281 C10 1 0.484642 0.415252 1.054819 11.00000 0.03713 0.03790 = 0.05247 0.00410 0.00909 -0.00274 AFIX 13 H10 2 0.358869 0.405852 1.084226 11.00000 -1.20000 AFIX 0 C11 1 0.516051 0.502699 1.026935 11.00000 0.03170 0.03346 = 0.04351 -0.00028 0.00262 0.00006 AFIX 13 H11 2 0.658540 0.508137 1.013183 11.00000 -1.20000 AFIX 0 C12 1 0.471328 0.566877 1.090412 11.00000 0.04125 0.04609 = 0.04399 -0.00490 -0.00057 0.00195 AFIX 43 H12 2 0.513337 0.556862 1.143308 11.00000 -1.20000 AFIX 0 C13 1 0.374913 0.637297 1.075190 11.00000 0.03503 0.04165 = 0.05097 -0.00863 0.00183 0.00021 C14 1 0.292044 0.653903 0.989806 11.00000 0.03025 0.02921 = 0.05945 -0.00136 -0.00292 0.00026 C15 1 0.112836 0.596839 0.985372 11.00000 0.02935 0.03862 = 0.06224 0.00220 -0.00104 -0.00133 C16 1 0.344556 0.689220 0.788871 11.00000 0.06395 0.06021 = 0.06474 0.01898 -0.01191 -0.00148 AFIX 137 H16A 2 0.239838 0.721317 0.813386 11.00000 -1.50000 H16B 2 0.305841 0.674254 0.734740 11.00000 -1.50000 H16C 2 0.465931 0.721032 0.787042 11.00000 -1.50000 AFIX 0 C17 1 0.700881 0.415018 0.782655 11.00000 0.15140 0.07899 = 0.06699 -0.00018 0.03808 0.03930 AFIX 137 H17A 2 0.598018 0.383542 0.756157 11.00000 -1.50000 H17B 2 0.823609 0.384043 0.783190 11.00000 -1.50000 H17C 2 0.721302 0.465750 0.753900 11.00000 -1.50000 AFIX 0 C18 1 0.616390 0.300197 1.149142 11.00000 0.07597 0.05630 = 0.07971 0.02601 0.01394 0.00530 AFIX 137 H18A 2 0.476727 0.285656 1.149499 11.00000 -1.50000 H18B 2 0.651134 0.325430 1.199909 11.00000 -1.50000 H18C 2 0.695924 0.251515 1.141454 11.00000 -1.50000 AFIX 0 C19 1 0.868708 0.392086 1.080312 11.00000 0.04440 0.05333 = 0.09214 0.01615 0.00314 0.00698 AFIX 137 H19A 2 0.960525 0.346527 1.081228 11.00000 -1.50000 H19B 2 0.890026 0.425874 1.127326 11.00000 -1.50000 H19C 2 0.890876 0.424190 1.032229 11.00000 -1.50000 AFIX 0 C20 1 0.325759 0.699356 1.139767 11.00000 0.07018 0.06107 = 0.06533 -0.01925 0.00647 0.01313 AFIX 137 H20A 2 0.381264 0.751852 1.125110 11.00000 -1.50000 H20B 2 0.381888 0.681773 1.190537 11.00000 -1.50000 H20C 2 0.182705 0.704112 1.144933 11.00000 -1.50000 AFIX 0 HKLF 4 REM feidq_DLL30 in P212121 #19 REM R1 = 0.0426 for 2979 Fo > 4sig(Fo) and 0.0447 for all 3140 data REM 214 parameters refined using 0 restraints END WGHT 0.0771 0.1196 REM Instructions for potential hydrogen bonds EQIV $1 x+1/2, -y+3/2, -z+2 HTAB O2 O3_$1 EQIV $2 x+1, y, z HTAB C3 O3_$2 HTAB C11 O3_$2 REM Highest difference peak 0.131, deepest hole -0.235, 1-sigma level 0.043 Q1 1 0.9175 0.4055 0.7971 11.00000 0.05 0.13 Q2 1 0.2094 0.6234 0.9927 11.00000 0.05 0.13 Q3 1 0.1607 0.6877 0.7759 11.00000 0.05 0.12 Q4 1 0.3018 0.5742 0.8336 11.00000 0.05 0.11 Q5 1 0.5942 0.4010 1.0962 11.00000 0.05 0.11 Q6 1 0.5992 0.4243 1.2069 11.00000 0.05 0.11 Q7 1 0.7697 0.2859 1.1752 11.00000 0.05 0.11 Q8 1 0.3530 0.7443 0.8254 11.00000 0.05 0.11 Q9 1 0.4725 0.5137 0.9853 11.00000 0.05 0.10 Q10 1 0.0842 0.4829 0.7589 11.00000 0.05 0.10 Q11 1 0.4199 0.4945 0.9191 11.00000 0.05 0.10 Q12 1 0.2772 0.6183 0.8793 11.00000 0.05 0.10 Q13 1 0.4703 0.5759 0.8177 11.00000 0.05 0.10 Q14 1 0.3571 0.3610 0.7450 11.00000 0.05 0.10 Q15 1 0.3966 0.6350 0.9579 11.00000 0.05 0.10 Q16 1 0.4720 0.5228 0.7397 11.00000 0.05 0.10 Q17 1 0.5243 0.5270 0.7546 11.00000 0.05 0.09 Q18 1 0.2395 0.5129 0.7776 11.00000 0.05 0.09 Q19 1 0.4487 0.6458 0.7122 11.00000 0.05 0.09 Q20 1 0.7453 0.2815 1.2560 11.00000 0.05 0.09 ; _shelx_res_checksum 64412 _shelx_hkl_file ; 0 0 2 999999. 14473.4 1 0 0 3 28.4464 23.9727 1 0 0 -3 21.3148 15.6949 17 0 0 4 54408.6 1080.28 1 0 0 -4 50447.4 922.194 17 0 0 5 76.9888 42.4156 4 0 0 5-2.41101 24.2931 7 0 0 -5 67.0608 30.5551 17 0 0 -6 28161.2 646.605 17 0 0 6 27935.2 627.406 4 0 0 6 27059.9 808.926 2 0 0 6 27086.9 638.241 7 0 0 7 0.47341 24.8391 4 0 0 -7 30.3943 27.8335 17 0 0 7 4.66398 24.6112 7 0 0 7-19.2052 24.1332 20 0 0 -8 5210.09 273.616 17 0 0 8 5253.20 274.176 7 0 0 8 5286.63 280.999 20 0 0 8 5518.77 272.399 4 0 0 -9-27.4031 39.7315 17 0 0 9-13.9300 28.7512 20 0 0 9-3.94310 31.0324 4 0 0 9 12.1154 22.0974 7 0 0 10 5291.81 317.540 4 0 0 -10 4650.37 298.904 17 0 0 10 4971.42 304.694 7 0 0 10 5003.44 317.092 20 0 0 11-1.85030 27.4540 20 0 0 -11-72.6675 63.5364 17 0 0 11 8.57061 33.4781 4 0 0 12 2484.85 263.884 4 0 0 12 2638.55 256.887 20 0 0 -12 1906.38 218.606 17 0 0 -13-18.4312 54.4686 17 0 0 13 106.848 56.5518 4 0 0 13-32.8457 32.3811 20 0 0 14 13874.7 461.148 8 0 0 14 14531.2 704.544 20 0 0 15 40.5162 26.4635 8 0 0 16 13.7703 27.0178 8 0 0 17 17.0342 28.5814 8 0 0 18 2746.45 177.915 9 0 0 19-39.1891 23.3504 9 0 0 20 1014.21 82.0573 9 0 -1 -1 82906.5 1328.21 16 0 -1 1 84759.4 1321.62 2 0 -1 2 70763.5 1202.84 2 0 -1 3 56379.7 1055.04 2 0 -1 -3 54988.6 948.533 17 0 1 3 53569.0 927.374 4 0 1 -3 56792.1 951.660 17 0 -1 -4 70465.9 1205.61 17 0 -1 4 69069.6 1349.40 2 0 1 -4 71774.6 1206.43 17 0 1 -4 73559.2 1362.95 1 0 1 4 69389.1 1181.24 4 0 -1 5 146045. 2414.88 7 0 1 5 148584. 2381.17 4 0 1 5 153525. 2637.29 1 0 -1 5 149849. 2639.37 2 0 1 5 153328. 2423.18 7 0 -1 -5 154366. 2417.57 17 0 1 -5 152993. 2410.22 17 0 -1 -6 25609.2 599.643 17 0 -1 6 24408.6 596.290 7 0 1 6 25156.3 576.075 4 0 1 6 24646.9 595.019 7 0 -1 6 24664.7 602.717 20 0 -1 6 23891.0 766.947 2 0 1 6 24015.2 755.184 1 0 1 -6 25508.1 595.202 17 0 1 7 18581.8 513.237 4 0 -1 7 19112.9 523.453 4 0 -1 7 18709.5 540.169 20 0 -1 -7 19225.1 538.328 17 0 1 -7 18923.4 536.486 17 0 -1 7 18087.3 526.176 7 0 1 7 18532.1 528.234 7 0 -1 -8 18103.3 555.441 17 0 1 8 18025.0 551.314 7 0 -1 8 18655.3 550.720 4 0 1 -8 18296.1 560.285 17 0 -1 8 18575.4 573.132 20 0 1 8 17844.4 539.109 4 0 -1 8 17625.0 551.327 7 0 1 9 764.809 109.244 4 0 -1 9 800.528 118.328 20 0 1 -9 649.915 102.856 17 0 -1 9 801.433 113.778 7 0 1 9 741.413 110.540 20 0 -1 -9 836.200 117.075 17 0 1 9 760.565 110.572 7 0 -1 9 717.572 106.619 4 0 -1 10 35071.2 960.685 20 0 1 -10 33120.5 924.307 17 0 1 10 33524.2 913.973 7 0 -1 10 35836.0 953.672 4 0 1 10 35886.4 952.002 4 0 -1 10 33499.9 907.743 7 0 1 10 35689.1 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311.356 47.6474 9 2 -3 18 38.3521 23.7542 9 2 -3 17 2257.18 162.773 9 2 -3 17 2121.98 146.161 8 2 -3 16 91.5043 37.9431 8 2 -3 16 98.8909 39.9431 9 2 -3 15 2282.59 185.276 9 2 -3 15 2311.46 171.137 8 2 -3 14 1043.35 117.752 8 -2 3 13 1797.28 240.192 7 2 -3 13 1653.37 230.961 20 -2 3 13 1649.70 220.245 20 2 -3 13 1921.98 158.459 8 2 -3 12 3539.80 328.293 20 -2 3 12 3839.56 338.410 7 -2 3 12 3376.31 308.763 20 -2 3 11 3506.25 302.206 4 2 -3 11 3082.85 289.998 20 -2 3 11 3712.42 316.568 7 -2 3 11 3583.86 303.721 20 2 3 -11 2638.87 273.325 17 -2 -3 -11 3019.70 285.534 17 2 -3 10 499.254 109.959 20 -2 3 10 442.047 103.540 4 -2 3 10 426.461 103.413 7 2 3 -10 338.591 93.4141 17 -2 -3 -10 358.078 95.2512 17 -2 3 9 9878.47 447.919 4 -2 -3 -9 9198.95 446.856 17 2 -3 9 9899.83 436.911 5 2 -3 9 9325.76 463.043 20 -2 3 9 10211.1 468.895 7 2 3 -9 9566.98 459.034 17 2 -3 8 5608.74 312.868 5 2 -3 8 5637.64 334.024 20 -2 3 8 6578.73 348.024 7 2 3 -8 5678.15 304.418 19 2 3 -8 5510.56 319.315 17 -2 -3 -8 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8 3 3 16 1314.01 114.693 8 3 3 17 3319.10 167.256 8 3 3 18 387.350 51.1265 8 3 -4 16 514.030 68.8379 8 3 -4 15 109.097 33.9851 8 -3 4 11 906.580 154.564 7 3 -4 10 2841.00 263.965 5 -3 4 10 3302.30 304.467 7 3 -4 9 5946.17 382.333 5 -3 4 9 5913.56 386.666 7 3 4 -9 5497.97 345.061 19 3 -4 8 13767.2 582.310 5 -3 4 8 13672.4 580.646 7 3 4 -8 13691.7 552.410 19 3 4 -7 1000.59 136.672 19 -3 4 7 846.209 129.485 7 3 -4 7 872.922 130.197 5 3 -4 6 3099.26 248.555 5 -3 4 6 3001.02 229.222 7 3 4 -6 3210.51 236.603 19 3 4 -5 217.126 53.7340 19 -3 -4 -5 311.644 58.1264 18 -3 4 5 280.263 65.9032 7 3 -4 5 270.341 72.1900 5 -3 4 4 1034.81 120.819 7 3 4 -4 1192.91 131.870 19 3 -4 4 1165.08 140.833 5 -3 -4 -4 963.209 96.1046 18 3 4 -3 2558.79 198.200 3 3 -4 3 2706.61 211.452 5 -3 -4 -3 2530.13 156.701 18 -3 -4 -2 31.8195 28.0950 18 3 4 -2 28.8347 25.9348 3 3 -4 2 1.70218 25.7520 3 3 -4 2-3.09610 34.4765 5 3 -4 1 5987.93 310.913 5 -3 -4 -1 5644.85 243.968 18 3 4 -1 5935.98 305.835 3 3 -4 0 19308.6 586.768 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5 8 7894.96 434.048 7 3 -5 7 8437.55 447.825 5 -3 5 7 7967.92 417.052 7 -3 5 6 2044.14 193.049 7 3 -5 6 2491.90 231.661 5 -3 5 5 5941.04 320.676 7 -3 -5 -5 6128.12 264.827 18 -3 -5 -4 57.3471 41.8642 18 -3 5 4 29.5611 25.0939 7 3 -5 4-22.5621 42.6334 5 3 5 -3 12508.2 474.420 3 -3 -5 -3 13050.2 397.609 18 3 5 -2 1211.92 135.947 3 3 -5 2 1482.75 159.825 5 -3 -5 -2 1337.05 118.201 18 3 -5 1 1832.74 178.003 5 -3 -5 -1 1561.14 126.673 18 3 5 -1 1605.41 161.243 3 3 -5 0 5597.53 298.437 19 3 -5 0 5680.56 312.595 5 -3 -5 0 5551.54 243.144 18 3 5 0 5156.30 292.572 3 3 -5 -1 1618.89 160.351 19 3 5 1 1577.26 161.811 3 3 -5 -1 1659.67 164.471 5 -3 -5 1 1667.28 129.129 18 3 5 1 1545.97 152.348 6 3 -5 -2 1416.00 151.300 19 -3 -5 2 1281.33 114.246 18 3 -5 -2 1303.18 144.354 5 3 -5 -3 13592.7 512.533 19 -3 -5 3 13201.5 410.802 18 3 -5 -3 11976.6 467.370 5 3 -5 -4-34.7012 51.8491 19 -3 -5 4 0.32967 24.9968 18 3 -5 -5 6224.44 358.946 19 -3 -5 5 5954.02 267.718 18 3 -5 -6 2108.35 213.398 19 3 -5 -7 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477.629 19 3 6 1 11478.5 485.856 3 -3 -6 1 11610.4 382.880 18 3 -6 -1 12212.8 495.317 5 3 6 1 11377.2 466.846 6 3 -6 -2 19670.4 653.178 19 -3 -6 2 19823.2 537.404 18 3 -6 -2 19739.7 654.221 5 3 6 2 20249.5 644.394 6 3 -6 -3 12337.2 503.614 19 -3 -6 3 12542.8 407.000 18 3 -6 -3 12056.7 490.110 5 3 -6 -4 3029.09 245.938 19 -3 -6 4 2782.81 181.543 18 3 -6 -4 2436.91 207.182 5 3 -6 -5 8713.76 441.113 19 -3 -6 5 8198.65 330.818 18 3 -6 -6 4961.79 338.177 19 3 -6 -7 2274.81 234.394 19 3 -6 -8 5098.14 368.164 19 3 -6 -9 751.856 139.893 19 3 6 10 2196.06 180.221 11 3 -6 -10 2457.46 270.965 19 3 -6 -10 2303.04 186.645 15 3 6 11 3371.63 221.222 11 3 -6 -11 3148.83 224.871 15 3 6 12 653.615 94.7862 11 3 -6 -12 633.243 92.9447 15 3 -6 -13 2092.56 171.756 15 3 6 13 2153.96 156.819 8 3 -6 -14 1087.40 112.555 15 3 6 14 1153.53 112.016 8 3 6 15 218.440 49.5348 8 3 6 16 842.850 80.7661 8 3 6 17 282.526 44.0498 8 -3 7 10 6026.86 434.115 7 3 -7 9 1737.11 220.908 5 -3 7 9 1846.77 232.439 7 3 -7 8 4668.97 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518.357 80.4473 15 4 5 14 612.122 78.2845 8 4 -5 -14 506.129 72.3548 15 4 5 15 175.385 36.5726 8 4 5 16 1371.53 95.1455 8 4 -6 8 16180.0 735.961 5 4 -6 7 889.704 156.533 5 4 -6 6 11324.2 582.945 5 4 -6 5 7063.49 438.068 5 -4 -6 -5 6330.72 314.838 18 -4 -6 -4 399.788 81.7182 18 4 -6 4 430.533 105.399 5 4 -6 3 1929.34 220.545 5 -4 -6 -3 2163.88 178.089 18 -4 -6 -2 1078.18 125.434 18 4 6 -2 804.374 135.375 3 4 -6 2 877.842 148.857 5 4 -6 1 7689.89 436.070 5 -4 -6 -1 7175.32 326.557 18 -4 -6 0 3123.19 212.356 18 4 6 0 2762.26 260.174 3 4 -6 -1 7928.64 433.581 5 -4 -6 1 7407.79 331.400 18 4 -6 -2 788.477 137.567 19 -4 -6 2 834.039 115.902 18 4 6 2 656.226 126.362 3 4 -6 -2 646.752 118.014 5 4 -6 -3 1828.60 210.921 19 -4 -6 3 2081.43 176.860 18 4 6 3 1612.07 212.480 3 4 -6 -4 517.527 118.763 19 4 6 4 297.304 89.0066 3 -4 -6 4 432.364 85.0565 18 4 -6 -5 6200.74 412.065 19 4 6 5 6468.62 459.304 3 -4 -6 5 6268.11 318.165 18 4 -6 -6 10917.6 566.070 19 4 6 6 9299.76 565.335 3 4 -6 -7 1110.83 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5 -1 -11 2125.95 165.284 12 5 1 11 2350.70 160.022 8 5 1 12 250.818 50.1071 8 5 -1 -12 225.594 50.7127 12 5 -1 -13 593.248 74.9154 12 5 1 13 706.213 79.8172 8 5 1 14 232.853 43.2643 8 5 -1 -14 267.291 45.2680 12 5 1 15 112.034 27.9182 8 5 2 -15 79.2108 21.9131 12 5 2 -14 423.564 61.1493 12 5 2 -13 337.233 63.2820 12 5 -2 7 4173.27 336.837 5 5 2 -7 3882.10 317.181 19 5 2 -6 9920.98 391.418 12 5 2 -6 9122.23 486.490 19 -5 2 6 9382.40 478.938 18 5 -2 5 3153.99 281.038 5 5 2 -5 2917.01 264.456 19 -5 2 5 2854.06 253.308 18 5 -2 4 4491.12 329.707 5 5 2 -4 3974.28 305.385 19 -5 -2 -4 3978.88 260.954 18 -5 2 4 4000.86 298.440 18 5 -2 3 8235.70 445.379 5 5 -2 3 6796.68 457.736 3 -5 -2 -3 7477.21 369.765 18 -5 2 3 8064.78 424.211 18 -5 -2 -2 752.372 108.974 18 -5 2 2 838.655 128.763 18 5 -2 2 699.890 123.832 5 5 -2 2 739.778 151.267 3 5 -2 1 20494.3 718.233 5 5 2 -1 19160.9 765.056 3 -5 -2 -1 20977.3 666.256 18 -5 2 1 19749.3 685.247 18 -5 -2 0 916.483 122.997 18 -5 2 0 804.584 126.090 18 5 2 0 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8 5 2 15 163.185 33.2505 8 5 3 -15 309.257 45.6386 12 5 3 -14 587.023 68.9054 12 5 -3 7 1439.07 200.707 5 5 -3 6 1717.98 212.985 5 5 3 -6 1713.37 156.314 12 -5 3 6 1601.72 193.821 18 5 -3 5 5381.75 378.949 5 5 3 -5 5009.09 270.350 12 -5 3 5 4559.31 332.905 18 5 -3 4 2537.88 256.529 5 -5 -3 -4 1883.13 178.219 18 -5 3 4 2070.29 216.917 18 5 -3 3 2164.15 226.786 5 -5 -3 -3 2010.45 183.682 18 -5 3 3 2165.48 216.704 18 -5 -3 -2 1016.40 130.236 18 -5 3 2 924.918 134.706 18 5 -3 2 1169.94 161.822 5 5 -3 1 4173.49 310.737 5 5 3 -1 3954.19 333.292 3 -5 -3 -1 4721.22 286.360 18 -5 3 1 4228.94 298.676 18 -5 -3 0-38.5158 57.1731 18 -5 3 0-23.4144 40.5138 18 5 3 0 41.3147 38.9203 3 5 3 1 3901.85 328.877 3 -5 -3 1 4273.07 274.149 18 -5 3 -1 3915.76 284.558 18 5 -3 -2 952.374 146.967 19 -5 -3 2 1091.05 134.146 18 -5 3 -2 918.873 134.958 18 5 3 2 896.497 159.062 3 5 -3 -3 1979.61 220.260 19 -5 -3 3 2115.83 192.439 18 -5 3 -3 1810.75 192.082 18 5 3 3 1605.67 222.280 3 5 -3 -4 2132.81 233.862 19 -5 -3 4 1988.57 192.367 18 5 -3 -5 4966.20 272.465 12 5 -3 -5 4462.65 352.685 19 -5 -3 5 4483.87 291.051 18 5 -3 -5 4960.89 277.991 15 5 -3 -6 1719.40 159.325 12 5 -3 -6 1636.39 213.706 19 -5 -3 6 1418.75 162.509 18 5 -3 -6 1847.85 165.172 15 5 -3 -7 1162.99 130.097 12 5 -3 -7 1059.72 175.833 19 5 -3 -7 1192.14 134.330 15 5 -3 -8 4738.85 266.116 12 5 -3 -8 4725.70 261.601 15 5 -3 -9 6888.76 318.757 12 5 -3 -9 6825.67 314.824 15 5 -3 -10 1800.26 152.369 12 5 -3 -10 2083.83 164.747 15 5 -3 -11 2369.68 174.480 15 5 3 12 65.2248 33.7256 8 5 -3 -12 91.6083 37.0296 15 5 3 13 1734.77 124.390 8 5 3 14 770.053 75.7597 8 5 3 15 355.675 46.8744 8 5 4 -15 126.087 26.6718 12 5 4 -14 121.715 32.6919 12 -5 4 6-7.92333 49.8793 18 5 -4 6 202.859 69.3919 5 5 -4 5 11288.8 577.482 5 5 4 -5 10703.6 414.231 12 -5 4 5 9988.27 512.106 18 5 4 -4 175.920 49.7192 12 5 -4 4 212.157 50.7187 10 -5 -4 -4 161.990 65.4875 18 -5 4 4 58.2715 46.3310 18 5 -4 4 62.7179 32.2503 5 5 -4 3 7015.22 432.346 5 -5 -4 -3 6746.17 345.717 18 -5 4 3 6692.96 398.550 18 -5 -4 -2 570.122 100.787 18 -5 4 2 355.024 76.4297 18 5 -4 2 636.659 122.491 5 5 4 -2 445.287 119.223 3 5 -4 1 2068.51 219.346 5 5 4 -1 2118.00 244.620 3 -5 -4 -1 2690.00 213.882 18 -5 4 1 2076.18 209.977 18 5 -4 0 5228.05 350.873 5 5 4 0 5412.37 402.468 3 -5 -4 0 5719.17 316.329 18 -5 4 0 5959.20 361.190 18 5 4 1 2031.70 246.209 3 -5 -4 1 2238.82 195.340 18 -5 4 -1 2458.82 227.047 18 -5 -4 2 496.055 95.4048 18 -5 4 -2 431.989 89.0227 18 5 4 2 279.061 69.9097 3 5 -4 -3 6247.58 409.487 19 -5 -4 3 6505.58 352.193 18 -5 4 -3 6331.75 370.336 18 5 -4 -4 144.743 43.8231 12 5 -4 -4 65.0282 42.8220 19 -5 -4 4 193.960 65.0784 18 5 -4 -4 159.060 52.6625 15 5 -4 -5 10200.4 402.310 12 5 -4 -5 10140.6 552.378 19 -5 -4 5 9342.73 432.032 18 5 -4 -5 10399.6 417.772 15 5 -4 -6 148.028 47.2531 12 5 -4 -6 286.794 93.5954 19 5 -4 -6 208.574 47.2598 15 5 -4 -7 12269.4 449.404 12 5 -4 -7 12897.4 463.076 15 5 -4 -8 2885.78 202.838 15 5 -4 -9 6571.57 306.627 15 5 -4 -10 2149.38 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872.214 161.211 19 -5 -5 5 844.456 123.832 18 5 -5 -5 885.243 115.490 15 5 -5 -6 11794.9 451.489 15 5 -5 -7 976.100 123.200 15 5 -5 -8 2952.80 208.045 15 5 5 9 976.621 116.452 11 5 -5 -9 1063.01 118.606 15 5 -5 -10 276.553 64.9050 15 5 -5 -11 410.153 71.5977 15 5 -5 -12 1995.51 145.455 15 5 5 12 2015.34 138.821 8 5 5 13 138.528 34.2817 8 5 -5 -13 115.106 37.5556 15 5 5 14 337.623 46.7999 8 5 5 15 6.28938 12.4846 8 5 6 -14 942.323 76.2069 12 5 6 -13 1210.07 96.6938 12 5 6 -6 3531.57 220.103 12 5 6 -5 412.486 76.0290 12 5 -6 4 17221.9 744.050 5 -5 -6 -4 14128.5 540.309 18 5 -6 3 3938.55 343.295 5 -5 -6 -3 3971.43 271.376 18 -5 -6 -2 3439.06 205.811 21 5 -6 2 3505.66 318.646 5 5 -6 2 4092.05 220.324 10 -5 -6 -2 3601.81 256.896 18 -5 -6 -1 1694.70 142.177 21 5 -6 1 1447.23 200.281 5 5 -6 1 1887.47 147.227 10 -5 -6 -1 1915.22 185.928 18 -5 -6 0-50.7796 29.7565 21 5 -6 0-32.5464 30.7064 10 5 -6 0 36.8425 44.7383 5 -5 -6 1 1712.07 143.510 21 5 6 1 1630.93 138.313 13 5 -6 -1 1423.51 126.738 10 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191.467 10 -5 -7 -1 2902.99 234.918 18 -5 -7 0 4489.30 234.696 21 5 7 0 3766.62 211.956 13 5 -7 0 3533.31 319.388 5 -5 -7 0 4038.29 276.271 18 -5 -7 1 3424.61 204.277 21 5 7 1 3356.94 201.438 13 -5 -7 1 3003.46 237.232 18 -5 -7 2 4688.70 240.046 21 5 7 2 4586.15 239.879 13 -5 -7 2 4525.56 296.034 18 -5 -7 3 4369.02 230.790 21 5 7 3 4654.03 240.067 13 -5 -7 4 3152.89 193.772 21 5 7 4 3640.78 208.718 13 5 -7 -4 2990.11 217.797 15 5 7 5 7751.58 311.164 13 5 -7 -5 6532.54 331.106 15 5 7 6 3698.62 205.621 13 5 -7 -6 3222.13 224.716 15 5 7 7 5330.88 283.561 11 5 -7 -7 5404.13 287.787 15 5 7 8 1399.27 139.404 11 5 -7 -8 1468.47 142.368 15 5 7 9 1657.12 145.786 11 5 -7 -9 1754.80 151.110 15 5 7 10 202.765 49.0199 11 5 -7 -10 207.009 53.4744 15 -5 -7 11 310.958 48.7368 21 5 -7 -11 446.592 69.5973 15 5 7 12 52.2248 26.7220 8 -5 -7 12 55.9132 24.7728 21 5 -7 -12 43.6090 30.1552 15 5 7 13 205.645 37.2337 8 5 -7 -13 245.985 44.7154 15 5 7 14 452.660 49.6850 8 5 8 -13 432.134 49.6081 12 5 8 -12 279.866 43.1414 12 5 8 -11 261.243 46.1091 12 5 8 -10 63.2269 27.5757 12 5 8 -9 2254.87 150.339 12 5 8 -8 603.226 78.7974 12 -5 -8 -5 3336.30 194.094 21 -5 -8 -4 1144.26 113.687 21 -5 -8 -3 434.559 70.2202 21 -5 -8 -2 554.307 79.7923 21 -5 -8 -1 507.362 75.7266 21 5 8 -1 366.820 62.7460 13 -5 -8 0 100.499 41.0701 21 5 8 0 115.780 39.1959 13 -5 -8 1 461.341 74.7633 21 5 8 1 422.749 71.5757 13 -5 -8 2 484.907 73.9850 21 5 8 2 387.279 66.1158 13 -5 -8 3 301.227 55.8077 21 5 8 3 422.506 71.6448 13 -5 -8 4 1050.49 108.686 21 5 8 4 999.238 105.404 13 -5 -8 5 3316.69 197.098 21 5 8 5 3388.84 195.181 13 5 -8 -5 2842.27 211.222 15 -5 -8 6 3172.58 191.097 21 5 8 6 2701.10 200.265 11 5 -8 -6 3070.33 215.367 15 -5 -8 7 8206.04 314.511 21 5 8 7 7352.34 337.104 11 5 -8 -7 7977.10 351.068 15 -5 -8 8 855.489 93.6766 21 5 8 8 641.007 92.3677 11 5 -8 -8 734.011 102.303 15 -5 -8 9 2641.02 161.321 21 5 8 9 2669.34 181.088 11 5 -8 -9 2753.51 186.625 15 -5 -8 10 74.8654 22.5843 21 5 8 10 68.5675 41.7743 11 5 -8 -10 116.570 40.6644 15 -5 -8 11 285.224 45.0736 21 5 -8 -11 438.005 66.2466 15 5 8 12 402.528 54.3140 8 5 -8 -12 448.067 62.2713 15 5 -8 -13 606.805 65.1458 15 5 8 13 535.287 55.9928 8 5 9 -12 148.499 30.4093 12 5 9 -11-1.98219 13.5946 12 -5 -9 -6 9711.14 339.272 21 -5 -9 -5 1552.30 129.047 21 -5 -9 -4 2750.15 174.784 21 -5 -9 -3 82.3694 33.9483 21 5 9 -3 21.2922 32.0329 13 -5 -9 -2 224.481 48.2832 21 5 9 -2 158.895 44.4400 13 -5 -9 -1 615.594 83.5507 21 5 9 -1 500.576 71.7471 13 -5 -9 0 431.276 69.1746 21 5 9 0 466.515 69.9024 13 -5 -9 1 587.840 80.5595 21 5 9 1 580.133 76.7615 13 -5 -9 2 279.955 55.6053 21 5 9 2 310.036 57.7946 13 -5 -9 3 63.4647 30.8193 21 5 9 3 139.864 44.7897 13 -5 -9 4 2762.21 177.024 21 5 9 4 2953.00 178.915 13 -5 -9 5 1628.11 135.069 21 5 9 5 1535.17 126.397 13 5 9 5 1426.46 143.242 11 5 -9 -5 1253.77 135.313 15 5 9 6 9612.93 388.722 11 5 -9 -6 9169.71 383.473 15 -5 -9 7 527.366 74.8467 21 5 9 7 534.505 83.7132 11 5 -9 -7 482.678 84.3461 15 -5 -9 8 4449.96 210.616 21 5 9 8 4175.92 231.004 11 5 -9 -8 4690.88 245.677 15 -5 -9 9 1338.03 106.599 21 5 9 9 1326.78 122.796 11 5 -9 -9 1404.84 128.373 15 -5 -9 10 78.6810 23.9587 21 5 9 10 104.576 31.5885 11 5 -9 -10 146.603 40.3324 15 5 -9 -11-31.0468 30.7194 15 5 9 12 205.298 36.5664 8 5 -9 -12 267.186 46.1483 15 5 9 13 316.142 39.9737 8 5 10 -9 243.849 39.0254 13 5 10 -8 1232.24 98.5633 13 5 10 -7 517.958 67.8313 13 -5 -10 -6 184.393 45.5156 21 5 10 -6 234.642 50.5163 13 -5 -10 -5 1537.89 125.335 21 5 10 -5 1282.77 111.224 13 -5 -10 -4 260.403 54.6969 21 5 10 -4 236.874 48.6241 13 -5 -10 -3 1910.98 143.883 21 5 10 -3 1726.46 131.971 13 -5 -10 -2 3903.96 209.928 21 5 10 -2 3604.42 197.752 13 -5 -10 -1 2975.83 181.392 21 5 10 -1 2817.69 173.357 13 -5 -10 0 12669.2 402.164 21 5 10 0 11782.0 382.805 13 -5 -10 1 2844.13 176.142 21 5 10 1 2643.10 165.075 13 -5 -10 2 4084.89 211.144 21 5 10 2 3858.71 200.961 13 -5 -10 3 2088.19 150.293 21 5 10 3 1929.93 139.118 13 5 10 3 1756.86 158.171 11 -5 -10 4 246.521 51.6973 21 5 10 4 209.632 44.5110 13 5 10 4 172.413 49.9796 11 -5 -10 5 1350.45 118.770 21 5 10 5 1439.50 138.988 11 5 -10 -5 1160.72 125.525 15 -5 -10 6 142.709 44.5710 21 5 10 6 178.794 53.0669 11 5 -10 -6 197.171 54.6182 15 -5 -10 7 567.972 73.0437 21 5 10 7 659.608 90.2699 11 5 -10 -7 727.527 96.4728 15 -5 -10 8 1409.85 108.986 21 5 10 8 1217.32 117.055 11 5 -10 -8 1448.84 128.342 15 -5 -10 9 286.108 46.8483 21 5 10 9 285.129 53.1926 11 5 -10 -9 258.800 55.0824 15 5 10 10 182.480 38.8270 11 5 -10 -10 297.367 56.9202 15 5 -10 -11 1127.20 93.2577 15 5 10 12 268.656 36.4341 8 5 -10 -12 284.953 43.5862 15 -5 -11 -7 2845.48 156.443 21 5 11 -7 2690.32 145.102 13 -5 -11 -6 1766.92 128.445 21 5 11 -6 1693.94 119.001 13 -5 -11 -5 750.457 84.2191 21 5 11 -5 694.588 79.2146 13 -5 -11 -4 755.473 85.8681 21 5 11 -4 689.640 80.1682 13 -5 -11 -3 3014.54 176.910 21 5 11 -3 2753.01 163.992 13 -5 -11 -2 3242.57 184.255 21 5 11 -2 2851.97 168.506 13 -5 -11 -1 5936.77 256.236 21 5 11 -1 5954.15 250.255 13 -5 -11 0 1773.18 135.386 21 5 11 0 1532.06 121.267 13 -5 -11 1 6062.17 255.735 21 5 11 1 5526.39 238.737 13 -5 -11 2 3326.24 185.893 21 5 11 2 3143.46 174.516 13 5 11 2 2967.18 201.285 11 -5 -11 3 2882.17 171.925 21 5 11 3 2726.60 158.340 13 5 11 3 2310.89 175.438 11 -5 -11 4 828.605 90.9957 21 5 11 4 599.643 86.1530 11 -5 -11 5 779.413 87.0839 21 5 11 5 714.899 92.7993 11 -5 -11 6 1791.89 125.795 21 5 11 6 1582.49 135.742 11 5 -11 -6 1688.14 139.770 15 -5 -11 7 3040.05 160.442 21 5 11 7 2829.11 178.503 11 5 -11 -7 3082.50 187.466 15 -5 -11 8 3387.30 160.265 21 5 11 8 3386.78 185.851 11 5 -11 -8 3479.74 192.366 15 5 11 9 1189.84 102.230 11 5 -11 -9 1330.02 110.217 15 5 11 10 249.864 44.3461 11 5 -11 -10 307.482 50.9563 15 5 -11 -11 1203.31 87.9085 15 5 11 11 1100.35 74.6689 8 -5 -12 -8 1277.94 90.7146 21 -5 -12 -7 2616.88 141.581 21 -5 -12 -6 518.134 65.1369 21 5 12 -6 378.158 52.0351 13 -5 -12 -5 7693.97 272.675 21 5 12 -5 6920.83 245.649 13 -5 -12 -4 120.530 36.6678 21 5 12 -4 105.419 27.8143 13 -5 -12 -3 1987.12 136.592 21 5 12 -3 1783.89 121.028 13 -5 -12 -2 150.614 39.3396 21 5 12 -2 176.145 40.9155 13 -5 -12 -1 3817.19 191.005 21 5 12 -1 3603.51 181.447 13 -5 -12 0 1085.25 102.065 21 5 12 0 1090.23 97.8107 13 -5 -12 1 3929.32 194.116 21 5 12 1 3747.31 182.689 13 -5 -12 2 195.847 45.1030 21 5 12 2 163.785 45.6749 13 5 12 2 176.028 41.2153 11 -5 -12 3 1829.55 128.899 21 5 12 3 1693.34 138.955 11 -5 -12 4 90.4902 33.3350 21 5 12 4 73.4533 32.5208 11 -5 -12 5 7233.97 260.191 21 5 12 5 6977.83 287.339 11 -5 -12 6 429.343 57.8373 21 5 12 6 384.833 66.5348 11 5 -12 -6 369.173 61.9619 15 -5 -12 7 2756.72 139.343 21 5 12 7 2677.89 159.529 11 5 -12 -7 2657.16 160.730 15 5 12 8 1382.94 106.570 11 5 -12 -8 1396.40 110.758 15 5 12 9 1266.53 95.3576 11 5 -12 -9 1151.08 94.3963 15 5 -12 -10 163.695 32.0772 15 -5 -13 -7 63.5452 22.8428 21 -5 -13 -6 1769.42 112.149 21 -5 -13 -5 270.664 45.8760 21 -5 -13 -4 322.542 52.2838 21 5 13 -4 271.812 41.2124 13 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63.8400 23.2200 21 5 14 3 25.3342 14.8129 11 -5 -14 4 166.199 31.8459 21 5 14 4 146.291 31.2194 11 -5 -14 5 778.255 64.6518 21 5 14 5 843.745 76.8342 11 5 14 6 105.314 29.5181 11 -5 -15 -4 18.0993 14.2569 21 -5 -15 -3 358.449 45.0106 21 -5 -15 -2 292.494 40.8065 21 -5 -15 -1 441.757 51.1833 21 -5 -15 0 38.3685 18.4048 21 5 15 0-11.7376 13.9280 11 -5 -15 1 436.271 50.2173 21 5 15 1 315.158 44.1917 11 -5 -15 2 328.242 42.9236 21 5 15 2 234.165 39.9637 11 -5 -15 3 338.914 40.9282 21 5 15 3 381.592 47.8958 11 6 0 0 341.065 55.6452 10 6 0 1 94.2864 39.8283 10 6 0 -1 4.14055 36.2651 10 6 0 -2 280.137 57.0861 12 6 0 2 244.313 59.3397 10 6 0 -3 350.644 70.8572 12 6 0 3 423.251 75.8127 10 6 0 -4 466.147 78.4804 12 6 0 4 690.710 90.9553 10 6 0 -5 516.295 81.2418 12 6 0 -6 1643.13 147.283 12 6 0 -7 2960.12 196.415 12 6 0 -8 580.741 84.3419 12 6 0 -9 2395.80 166.679 12 6 0 -10 141.746 43.0457 12 6 0 -11 209.198 44.3856 12 6 0 -12 101.374 30.3329 12 6 0 -13 390.812 49.2571 12 6 1 -13 230.387 38.3201 12 6 1 -12 537.700 64.2020 12 6 1 -11 568.811 71.4118 12 6 1 -10 2907.73 175.671 12 6 1 -9 372.506 64.9889 12 6 1 -8 1929.21 153.423 12 6 1 -7 1177.70 122.613 12 6 1 -6 907.313 108.198 12 6 1 -5 120.921 45.4516 12 6 1 -4 7157.30 323.048 12 6 -1 4 7964.72 313.818 10 6 1 -3 4760.51 259.918 12 6 -1 3 4990.00 244.853 10 6 1 -2 8043.26 345.668 12 6 -1 2 7873.73 313.682 10 6 -1 1 4805.33 238.754 10 6 -1 0 28.6004 25.2064 10 6 1 0 15.8561 27.3023 10 6 1 1 5192.21 252.210 10 6 -1 -1 4517.41 232.849 10 6 1 2 7633.36 313.103 10 6 -1 -3 4926.06 262.141 12 6 1 3 5077.42 247.642 10 6 -1 -4 6970.84 317.510 12 6 1 4 7911.86 311.154 10 6 -1 -5 108.532 46.5090 12 6 -1 -6 1049.76 117.483 12 6 -1 -7 1268.96 127.685 12 6 -1 -8 2026.28 158.010 12 6 -1 -9 327.563 59.8671 12 6 -1 -10 2765.58 170.709 12 6 -1 -11 608.070 73.2724 12 6 -1 -12 455.869 57.6146 12 6 -1 -13 201.603 32.7504 12 6 2 -13 313.126 43.2455 12 6 2 -12 15.2966 15.8673 12 6 2 -11 112.093 33.1068 12 6 2 -10 11.4799 27.2310 12 6 2 -9 955.579 103.076 12 6 2 -8 325.680 64.3886 12 6 2 -7 60.3231 21.6213 12 6 2 -6 2005.57 160.466 12 6 2 -5 374.372 74.3111 12 6 2 -4 4770.83 258.886 12 6 -2 4 5355.41 252.123 10 6 2 -3 508.003 85.0253 12 6 -2 3 547.039 80.7816 10 6 2 -2 5322.54 275.973 12 6 -2 2 5308.31 250.279 10 6 -2 1 69.1768 22.9875 10 6 -2 0 586.477 79.9962 10 6 2 0 510.359 74.0401 10 6 2 1 21.7795 25.8272 10 6 -2 -1 0.26380 32.7525 10 6 2 2 5162.72 248.354 10 6 -2 -2 4641.48 239.105 10 6 2 3 449.809 71.7420 10 6 -2 -4 4945.94 264.376 12 6 2 4 5125.50 242.704 10 6 -2 -5 325.495 67.7523 12 6 -2 -6 2285.89 176.377 12 6 -2 -7 79.8225 31.6335 12 6 -2 -8 361.426 66.7820 12 6 -2 -9 1062.79 107.842 12 6 -2 -10 73.0239 32.8191 12 6 -2 -11 186.826 42.0217 12 6 -2 -12 0.05219 11.7820 12 6 3 -13 594.871 57.4023 12 6 3 -12 1010.99 83.9873 12 6 3 -11 20.1522 23.7016 12 6 3 -10 3252.93 179.279 12 6 3 -9 1165.19 112.235 12 6 3 -8 1557.55 135.030 12 6 3 -7 616.727 89.9913 12 6 3 -6 105.754 41.1383 12 6 3 -5 3874.89 228.994 12 6 3 -4 4190.08 242.113 12 6 3 -3 1974.54 164.711 12 6 -3 3 2204.22 155.034 10 6 3 -2 6284.97 301.167 12 6 -3 2 6422.58 276.229 10 6 -3 1 3367.94 195.825 10 6 -3 0 3443.48 200.374 10 6 3 0 3272.93 196.899 10 6 3 1 3060.71 188.296 10 6 -3 -1 3226.85 196.097 10 6 3 2 5884.30 262.308 10 6 -3 -2 5604.76 264.328 10 6 -3 -3 1636.82 136.844 10 6 -3 -5 4194.70 239.825 12 6 -3 -6 176.438 54.0350 12 6 -3 -6 192.390 50.8668 15 6 -3 -7 694.730 93.5970 12 6 -3 -8 1816.01 143.569 12 6 -3 -9 1279.65 114.744 12 6 -3 -10 3182.25 172.427 12 6 4 -13 552.307 52.6360 12 6 4 -12 153.905 30.7749 12 6 4 -11 8.93484 15.3154 12 6 4 -10 678.804 77.4660 12 6 4 -9 1733.52 133.125 12 6 4 -8 871.251 98.0463 12 6 4 -7 1266.32 122.064 12 6 4 -6 3837.70 221.132 12 6 4 -5 6299.03 291.959 12 6 4 -4 3431.60 213.429 12 6 4 -3 12926.0 449.020 12 6 -4 3 14407.3 436.282 10 6 4 -2 5222.23 267.493 12 6 -4 2 5444.90 253.884 10 6 -4 1 9439.00 346.178 10 6 4 0 503.394 76.4906 13 6 -4 0 418.901 68.6843 10 6 4 0 352.597 56.5097 10 -6 -4 1 8159.82 315.482 21 6 4 1 8266.31 329.982 13 6 -4 -1 8919.56 336.683 10 -6 -4 2 4785.24 235.392 21 6 -4 -2 4901.67 244.953 10 6 -4 -3 12553.9 416.963 10 6 -4 -4 3170.47 193.160 10 6 -4 -4 3381.36 219.821 15 6 -4 -5 5574.74 259.320 10 6 -4 -5 6185.70 300.693 15 6 -4 -6 3914.23 232.695 15 6 -4 -7 1358.48 132.950 15 6 -4 -8 855.118 102.739 15 6 4 10 673.072 73.2361 8 6 4 11 50.6331 23.5238 8 6 4 12 171.180 32.0954 8 6 5 -12 523.900 55.5760 12 6 5 -11 614.943 66.1380 12 6 5 -10 916.664 87.6631 12 6 5 -9 111.232 36.4055 12 6 5 -8 2531.15 162.638 12 6 5 -7 117.841 41.5198 12 6 5 -6 8362.18 329.888 12 6 5 -5 2248.71 166.397 12 6 5 -4 5847.17 276.910 12 6 5 -3 1550.31 136.719 12 6 5 -2 3764.71 218.167 12 6 -5 2 4360.96 224.749 10 6 -5 1 1650.74 136.418 10 -6 -5 0 3452.04 195.802 21 6 5 0 3604.13 206.638 13 6 -5 0 3806.22 209.410 10 -6 -5 1 1550.49 131.102 21 6 5 1 1510.04 130.810 13 6 -5 -1 1635.20 135.009 10 -6 -5 2 3683.98 204.307 21 6 5 2 3990.80 216.716 13 6 -5 -2 3745.83 208.788 10 -6 -5 3 1631.05 132.240 21 6 5 3 1738.18 138.742 13 6 -5 -3 1733.49 137.576 10 -6 -5 4 6116.07 263.646 21 6 -5 -4 5772.78 261.012 10 6 -5 -4 6075.72 295.723 15 6 -5 -5 1931.60 143.212 10 6 -5 -5 2219.52 171.001 15 6 -5 -6 7374.26 288.841 10 6 -5 -6 8497.31 345.352 15 6 -5 -7 182.151 49.6304 15 6 -5 -8 2677.87 178.191 15 6 -5 -9 153.370 45.4569 15 -6 -5 11 610.567 63.5200 21 6 5 11 704.436 69.3437 8 -6 -5 12 485.061 50.2670 21 6 5 12 534.297 54.2508 8 6 6 -12 210.909 34.5089 12 6 6 -11 219.243 38.8130 12 6 6 -10 307.137 47.4632 12 6 6 -9 9.85058 21.6904 12 6 6 -8 122.453 35.3769 12 6 6 -7 142.377 40.2516 12 6 6 -6 3331.98 190.150 12 6 6 -5 319.505 59.5047 12 6 6 -4 5760.04 263.229 12 -6 -6 -1 2696.89 169.284 21 6 6 -1 2782.04 175.438 13 6 -6 1 3010.44 184.594 10 -6 -6 0 2833.44 174.679 21 6 6 0 2839.95 178.854 13 6 -6 0 2951.70 181.828 10 -6 -6 1 2830.60 174.834 21 6 6 1 2839.81 180.427 13 6 -6 -1 2865.63 177.102 10 -6 -6 2 3045.49 181.991 21 6 6 2 3484.10 197.692 13 6 -6 -2 3212.38 187.251 10 -6 -6 3 1981.77 144.754 21 6 6 3 1997.83 147.125 13 6 -6 -3 1917.11 141.350 10 -6 -6 4 6389.35 266.396 21 6 6 4 6647.77 271.792 13 6 -6 -4 5965.81 256.477 10 -6 -6 5 295.647 54.8070 21 6 -6 -5 393.747 73.8978 15 -6 -6 6 3477.30 186.430 21 6 -6 -6 3440.86 208.871 15 -6 -6 7 147.950 39.9573 21 6 -6 -7 179.017 46.1056 15 -6 -6 8 159.935 39.8645 21 6 -6 -8 165.332 40.9790 15 -6 -6 9 31.2377 16.0539 21 6 -6 -9-19.4801 28.1888 15 -6 -6 10 284.677 44.1233 21 6 -6 -10 371.105 57.9599 15 6 6 11 245.636 41.2579 8 -6 -6 11 213.050 35.4639 21 6 7 -11 21.5789 14.3440 12 6 7 -10 46.8530 19.8588 12 6 7 -9 444.684 56.0432 12 6 7 -8 384.726 53.5516 12 6 7 -7 277.996 48.5893 12 6 7 -3 2543.66 160.675 13 -6 -7 -2 681.267 80.7808 21 6 7 -2 649.636 83.2327 13 -6 -7 -1 11905.9 377.015 21 6 7 -1 11339.8 376.714 13 -6 -7 0 3733.37 199.766 21 6 7 0 3358.50 191.594 13 6 -7 0 3859.86 202.171 10 -6 -7 1 11772.3 381.357 21 6 7 1 11725.0 384.480 13 6 -7 -1 12232.8 383.513 10 -6 -7 2 699.942 84.1800 21 6 7 2 823.165 93.5515 13 -6 -7 3 2810.73 171.032 21 6 7 3 2764.59 167.202 13 -6 -7 4 264.848 52.0345 21 6 7 4 244.226 49.5637 13 -6 -7 5 1984.25 136.582 21 6 -7 -5 1731.77 144.626 15 -6 -7 6 387.343 58.5393 21 6 -7 -6 296.684 61.7866 15 -6 -7 7 354.777 53.5969 21 6 -7 -7 311.400 60.0882 15 -6 -7 8 555.256 65.2442 21 6 -7 -8 470.089 68.6344 15 -6 -7 9 573.469 62.9440 21 6 -7 -9 557.832 73.4700 15 -6 -7 10 36.6277 17.4476 21 6 -7 -10 99.0326 35.4170 15 6 7 11 15.7364 16.5952 8 -6 -7 11 7.83462 11.1608 21 6 8 -10 141.667 27.2465 13 6 8 -5 593.029 71.8262 13 6 8 -4 10.4695 20.1728 13 -6 -8 -3 531.815 68.1474 21 6 8 -3 607.154 73.7001 13 -6 -8 -2 72.7911 25.1777 21 6 8 -2-15.8561 25.7477 13 -6 -8 -1 5101.49 228.071 21 6 8 -1 5023.38 227.873 13 -6 -8 0 2108.91 143.784 21 6 8 0 2161.91 145.374 13 -6 -8 1 5258.39 234.281 21 6 8 1 4939.67 226.844 13 -6 -8 2 56.3898 27.3523 21 6 8 2 14.4263 24.3366 13 -6 -8 3 605.145 74.3295 21 6 8 3 745.519 83.5262 13 -6 -8 4 12.4554 23.9268 21 6 8 4 44.0189 28.7768 13 -6 -8 5 596.897 72.5564 21 -6 -8 6 499.025 67.3888 21 6 -8 -6 445.128 69.3964 15 -6 -8 7 68.2867 29.0848 21 6 -8 -7 48.0713 18.4126 15 -6 -8 8 248.048 40.7240 21 6 -8 -8 189.225 45.0832 15 -6 -8 9 1585.38 100.410 21 6 -8 -9 1560.90 116.215 15 -6 -8 10 121.595 25.0230 21 6 -8 -10 244.927 44.3592 15 6 9 -9 1156.33 77.0447 13 6 9 -8 1285.86 87.8373 13 6 9 -7 1483.09 99.9454 13 6 9 -6 1511.80 106.169 13 6 9 -5 1139.03 94.4252 13 -6 -9 -4 1268.59 98.6417 21 6 9 -4 1277.43 102.341 13 -6 -9 -3 862.014 84.0645 21 6 9 -3 790.293 82.8141 13 -6 -9 -2 2388.28 145.047 21 6 9 -2 2144.33 137.675 13 -6 -9 -1 23.6087 23.9915 21 6 9 -1 25.5899 32.1705 13 -6 -9 0 3715.81 186.311 21 6 9 0 3558.45 182.059 13 -6 -9 1 36.0532 27.3869 21 6 9 1 2.96777 23.4182 13 -6 -9 2 2574.70 151.958 21 6 9 2 2230.66 141.369 13 -6 -9 3 947.619 92.2197 21 6 9 3 890.248 85.5556 13 -6 -9 4 1288.12 105.944 21 -6 -9 5 1249.39 101.688 21 -6 -9 6 1790.60 117.323 21 6 -9 -6 1458.42 118.501 15 -6 -9 7 1587.07 105.867 21 6 -9 -7 1453.71 113.577 15 -6 -9 8 1385.55 93.1472 21 6 -9 -8 1281.85 103.185 15 -6 -9 9 1350.10 86.6665 21 6 -9 -9 1448.59 102.743 15 6 9 10 168.949 31.3226 8 6 10 -8 2085.92 103.299 13 6 10 -7 841.112 69.2399 13 6 10 -6 2065.27 116.115 13 6 10 -5 1246.41 92.2415 13 -6 -10 -4 357.525 49.5458 21 6 10 -4 300.945 47.7540 13 -6 -10 -3 504.728 63.0485 21 6 10 -3 405.631 55.2905 13 -6 -10 -2 72.1768 31.9119 21 6 10 -2 58.6567 23.3898 13 -6 -10 -1 76.4931 29.1915 21 6 10 -1 73.7357 27.0670 13 -6 -10 0 36.8601 26.9378 21 6 10 0 20.1028 21.4931 13 -6 -10 1 117.275 36.0470 21 6 10 1 23.2815 21.4551 13 -6 -10 2 92.0250 33.6694 21 6 10 2 55.4222 27.7818 13 6 10 3 477.535 62.3072 13 -6 -10 3 498.042 63.7531 21 -6 -10 4 451.471 58.4107 21 -6 -10 5 1219.24 93.4336 21 -6 -10 6 2219.83 124.349 21 -6 -10 7 915.220 73.8834 21 6 -10 -7 757.257 76.2627 15 -6 -10 8 2323.63 113.160 21 6 -10 -8 2182.02 123.350 15 6 11 -7 586.742 50.3900 13 6 11 -6 1337.88 83.9049 13 -6 -11 -5 64.6610 21.7510 21 6 11 -5 89.5347 24.5966 13 -6 -11 -4 214.615 36.8378 21 6 11 -4 208.159 34.3871 13 -6 -11 -3 352.946 48.8679 21 6 11 -3 409.857 53.6557 13 -6 -11 -2 28.8544 16.5802 21 6 11 -2 44.7666 21.8822 13 -6 -11 -1 16.3814 18.5392 21 6 11 -1 22.7344 21.8054 13 -6 -11 0 632.679 67.4041 21 6 11 0 692.434 70.0927 13 -6 -11 1-10.2309 20.3922 21 6 11 1 35.5333 21.4462 13 -6 -11 2 37.5577 18.9289 21 -6 -11 3 335.240 47.4396 21 -6 -11 4 296.813 44.8441 21 -6 -11 5 29.9640 20.0758 21 -6 -11 6 1428.20 90.4984 21 -6 -11 7 797.920 63.2055 21 6 12 -5 53.4096 15.9833 13 -6 -12 -4 99.1428 25.5863 21 6 12 -4 64.0637 17.5844 13 -6 -12 -3 105.933 25.2226 21 6 12 -3 99.4653 24.7168 13 -6 -12 -2 590.441 60.0177 21 6 12 -2 661.932 60.3035 13 -6 -12 -1 85.4982 26.8412 21 6 12 -1 113.127 27.9533 13 -6 -12 0 830.957 71.6265 21 6 12 0 782.814 66.5879 13 -6 -12 1 61.8633 24.6773 21 -6 -12 2 683.140 63.6357 21 -6 -12 3 124.393 29.3693 21 -6 -12 4 106.909 27.4644 21 -6 -12 5 86.5067 24.0755 21 -6 -13 -2 67.8625 21.4767 21 -6 -13 -1 201.948 31.6681 21 -6 -13 0 133.375 27.0813 21 -6 -13 1 237.920 34.5634 21 -6 -13 2 61.5530 19.3037 21 -6 -13 3 275.998 36.4306 21 7 0 0-14.9269 28.8754 10 7 0 1 257.143 51.6535 10 7 0 -1 123.692 37.9667 10 7 0 2 1881.86 134.965 10 7 0 -2 1588.95 123.107 10 7 0 -3 4145.74 200.485 10 7 0 -4-9.34212 24.0683 10 7 0 -5 1810.14 123.734 10 7 0 -6-42.4517 34.8683 10 7 0 -7-1.58241 28.1768 10 7 0 -8 54.2875 15.4701 10 7 0 -9 48.9727 17.0834 10 7 0 -10 79.3732 20.8043 10 7 1 -10 241.836 34.6054 10 7 1 -6 861.491 81.0780 10 7 1 -5 396.376 58.1282 10 7 1 -4 1458.99 112.778 10 7 1 -3 31.0138 21.1321 10 7 -1 2 357.189 67.3201 10 7 1 -2 189.391 37.9269 10 7 -1 1 892.424 92.1997 10 7 1 -1 763.227 84.8975 10 7 -1 0 681.708 81.6614 10 7 1 0 660.242 78.3691 10 7 1 1 937.313 93.0632 10 7 -1 -1 886.315 91.4052 10 7 1 2 337.963 57.3332 10 7 -1 -2 196.972 44.1598 10 7 -1 -3 29.7500 25.1851 10 7 -1 -4 1487.69 116.245 10 7 -1 -5 414.146 61.0751 10 7 -1 -6 741.498 76.9448 10 7 -1 -7 20.5479 20.2353 10 7 -1 -8 197.905 35.1492 10 7 -1 -9 244.582 35.8459 10 7 2 -10 1321.85 77.8988 10 7 2 -5 1601.50 114.573 10 7 2 -4 83.9711 32.3987 10 7 2 -3 507.486 66.2295 10 7 -2 2 386.516 65.7129 10 7 2 -2 247.678 44.4326 10 7 -2 1 1381.79 113.426 10 7 2 -1 1312.14 108.348 10 7 -2 0 53.2503 30.5506 10 7 2 0 15.9900 19.2256 10 7 2 1 1344.14 109.164 10 7 -2 -1 1324.40 111.448 10 7 2 2 382.732 61.9977 10 7 -2 -2 314.243 54.8627 10 7 -2 -3 667.007 77.7157 10 -7 -2 4 73.3861 25.4270 21 7 -2 -4 63.2318 22.3266 10 -7 -2 5 1289.54 93.4105 21 7 -2 -5 1660.42 117.543 10 -7 -2 6 516.745 57.3711 21 7 -2 -6 513.326 62.6480 10 7 -2 -7 368.168 51.8781 10 7 -2 -8 1808.35 108.121 10 -7 -2 9 754.025 62.5210 21 7 -2 -9 737.404 62.6324 10 -7 -2 10 1318.32 76.6370 21 7 3 -5 1208.24 97.9217 10 7 3 -4 1373.95 106.767 10 7 3 -3 1147.86 98.6212 13 7 3 -3 1300.70 104.066 10 7 3 -2 1587.45 117.134 10 7 -3 1 281.112 60.2196 10 7 3 -1 157.841 37.6501 10 7 -3 0 227.040 48.7808 10 7 3 0 272.222 48.9165 10 7 3 1 272.346 49.5648 10 7 -3 -1 201.716 45.5882 10 7 3 2 1800.97 120.129 10 7 -3 -2 1605.02 121.417 10 -7 -3 3 1031.65 85.0620 21 7 -3 -3 1379.55 109.874 10 -7 -3 4 1133.42 88.5465 21 7 -3 -4 1463.67 111.904 10 -7 -3 5 1101.70 86.6645 21 7 -3 -5 1284.62 101.760 10 -7 -3 6 110.088 29.5178 21 7 -3 -6 52.8827 18.9414 10 -7 -3 7 265.681 39.3113 21 7 -3 -7 295.604 44.3395 10 -7 -3 8 129.699 26.0445 21 7 -3 -8 153.441 29.0571 10 -7 -3 9 103.314 22.8413 21 7 -3 -9 98.0049 21.1809 10 7 4 -6 414.760 52.4593 10 7 4 -5 2398.19 134.121 10 7 4 -4 43.1469 15.3130 13 7 4 -4 41.4547 17.6188 10 7 4 -3 479.220 61.2771 13 7 4 -3 494.703 59.8882 10 7 4 -2-25.7369 16.1792 13 7 4 -2-24.7339 19.4690 10 7 4 -1 627.788 71.6571 13 7 4 -1 561.152 64.9631 10 7 -4 0 1.34640 18.6427 10 7 4 0 10.0486 17.6354 10 7 -4 -1 763.378 83.3701 10 -7 -4 2-13.0342 11.4926 21 7 -4 -2 0.50730 21.6310 10 -7 -4 3 410.390 52.5664 21 7 -4 -3 535.938 69.3580 10 -7 -4 4 46.7602 19.7107 21 7 -4 -4 86.1281 34.1798 10 -7 -4 5 2271.37 125.650 21 7 -4 -5 2722.49 144.872 10 -7 -4 6 335.907 44.4756 21 7 -4 -6 422.557 54.7534 10 -7 -4 7 145.214 29.0492 21 7 -4 -7 100.107 26.6850 10 -7 -4 8 980.600 72.3074 21 7 -4 -8 872.363 66.1328 10 -7 -4 9 739.480 58.7604 21 7 5 -9 198.501 28.2037 13 7 5 -8 868.880 67.1138 13 7 5 -8 755.592 60.9034 10 7 5 -7 554.246 57.6608 13 7 5 -7 558.913 55.4089 10 7 5 -6 2228.42 121.677 13 7 5 -6 2002.02 110.940 10 7 5 -5 204.619 34.7524 13 7 5 -5 188.112 35.0316 10 7 5 -4 625.471 67.4562 13 7 5 -4 626.073 64.3400 10 7 5 -3 197.612 41.3444 13 7 5 -3 204.126 35.8272 10 7 5 -2 256.308 46.6506 13 7 5 -1 239.906 46.6921 13 7 5 0 567.344 66.1803 13 7 -5 -1 264.739 52.9721 10 -7 -5 2 143.478 30.9657 21 7 -5 -2 253.218 50.5012 10 -7 -5 3 244.679 40.2791 21 7 -5 -3 292.363 52.0100 10 -7 -5 4 662.277 66.7446 21 7 -5 -4 782.479 75.2693 10 -7 -5 5 187.620 35.0311 21 7 -5 -5 233.764 41.1853 10 -7 -5 6 2376.38 121.921 21 7 -5 -6 2228.63 117.482 10 -7 -5 7 640.737 60.4997 21 -7 -5 8 936.775 68.1303 21 -7 -5 9 294.393 35.3096 21 7 6 -8 302.948 37.3872 13 7 6 -7 300.345 38.6046 13 7 6 -7 205.885 28.9641 10 7 6 -6 1850.26 105.335 13 7 6 -6 1380.15 84.1761 10 7 6 -5-19.6079 24.0550 13 7 6 -4 2082.51 121.661 13 7 6 -3 330.500 50.3953 13 7 6 -2 1139.26 92.0029 13 7 6 -1 704.149 72.8765 13 7 6 0 201.028 39.7210 13 -7 -6 1 624.300 62.8056 21 7 6 1 680.031 70.2964 13 -7 -6 2 1095.15 84.3105 21 -7 -6 3 353.515 46.4618 21 7 -6 -3 413.233 54.6374 10 -7 -6 4 2113.19 116.753 21 7 -6 -4 2236.12 120.572 10 -7 -6 5 33.1838 17.2035 21 -7 -6 6 1953.91 106.421 21 -7 -6 7 415.080 46.3522 21 -7 -6 8 341.759 38.9691 21 7 7 -7 854.362 62.5801 13 7 7 -6 778.032 64.0558 13 7 7 -5 94.2068 23.7914 13 7 7 -4 981.505 78.2259 13 7 7 -3 59.8632 24.9759 13 7 7 -2 535.566 60.1049 13 7 7 -1 209.679 38.5215 13 -7 -7 0 2723.92 129.093 21 7 7 0 3193.86 149.673 13 -7 -7 1 143.071 31.4521 21 7 7 1 172.390 36.0368 13 -7 -7 2 496.554 55.1381 21 7 7 2 561.761 59.7058 13 -7 -7 3 49.5055 16.5857 21 -7 -7 4 899.146 72.0280 21 -7 -7 5 128.482 29.8191 21 -7 -7 6 862.596 66.7292 21 -7 -7 7 897.411 64.4480 21 7 8 -6 308.582 36.6153 13 7 8 -5 1346.44 82.9525 13 7 8 -4 1599.76 93.8244 13 7 8 -3 2227.20 114.981 13 7 8 -2 1073.04 80.5753 13 7 8 -1 2977.58 138.663 13 -7 -8 0 329.635 42.6965 21 7 8 0 360.178 46.3468 13 -7 -8 1 2723.02 125.787 21 7 8 1 2869.88 133.657 13 -7 -8 2 897.179 70.7680 21 -7 -8 3 2120.04 109.630 21 -7 -8 4 1575.57 92.0146 21 -7 -8 5 1381.38 83.2875 21 -7 -8 6 337.970 39.4568 21 7 9 -4 363.075 40.6734 13 7 9 -3 2050.93 101.833 13 7 9 -2 438.971 46.0138 13 -7 -9 -1 626.763 52.5327 21 7 9 -1 940.747 69.2641 13 -7 -9 0 1115.13 73.8753 21 7 9 0 1325.72 82.8279 13 -7 -9 1 813.990 64.0569 21 7 9 1 971.838 70.5444 13 -7 -9 2 453.701 46.8324 21 -7 -9 3 2069.83 101.661 21 -7 -9 4 362.096 41.5554 21 7 10 -1 176.904 27.7380 13 8 0 -2 298.442 40.4342 10 8 0 -3 526.348 51.2306 10 8 1 -3 1207.33 74.7210 10 8 1 -2 920.284 66.9599 10 8 -1 -3 1196.38 75.1824 10 0 0 0 0.00 0.00 0 TITL feidq_DLL30 in P2(1)2(1)2(1) REM P2(1)2(1)2(1) (#19 in standard setting) CELL 1.54184 6.662469 16.236183 16.482435 90.0000 90.0000 90.0000 ZERR 8.00 0.000090 0.000216 0.000256 0.0000 0.0000 0.0000 LATT -1 SYMM -x+1/2,-y, z+1/2 SYMM -x, y+1/2,-z+1/2 SYMM x+1/2,-y+1/2,-z SFAC C H N O UNIT 88.00 80.00 8.00 8.00 TREF HKLF 4 END ; _shelx_hkl_checksum 93511 _olex2_computing_structure_refinement_long 'ShelXL (Sheldrick, 2008)' _olex2_computing_structure_solution_long 'ShelXS (Sheldrick, 2008)' _olex2_submission_special_instructions 'No special instructions were received'