#------------------------------------------------------------------------------ #$Date: 2021-11-05 00:58:19 +0200 (Fri, 05 Nov 2021) $ #$Revision: 270306 $ #$URL: file:///home/coder/svn-repositories/cod/cif/7/12/92/7129201.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_7129201 loop_ _publ_author_name 'Taylor, Chloe M.' 'Ellingsen, Theo A.' 'Breadmore, Michael C.' 'Kilah, Nathan L.' _publ_section_title ; Porphyrin-based colorimetric sensing of perfluorooctanoic acid as proof of concept for perfluoroalkyl substance detection. ; _journal_name_full 'Chemical communications (Cambridge, England)' _journal_paper_doi 10.1039/d1cc04903h _journal_year 2021 _chemical_formula_moiety 'C76 H30 F60 N8 O4, 0.5(C6 H14)' _chemical_formula_sum 'C79 H37 F60 N8 O4' _chemical_formula_weight 2302.16 _space_group_crystal_system triclinic _space_group_IT_number 2 _space_group_name_Hall '-P 1' _space_group_name_H-M_alt 'P -1' _atom_sites_solution_hydrogens mixed _atom_sites_solution_primary dual _audit_creation_date 2021-04-28 _audit_creation_method ; Olex2 1.2 (compiled May 18 2018 14:05:52 for OlexSys, GUI svn.r5506) ; _audit_update_record ; 2021-04-29 deposited with the CCDC. 2021-09-28 downloaded from the CCDC. ; _cell_angle_alpha 101.49(3) _cell_angle_beta 106.91(3) _cell_angle_gamma 96.71(3) _cell_formula_units_Z 2 _cell_length_a 13.920(3) _cell_length_b 14.710(3) _cell_length_c 22.500(5) _cell_measurement_reflns_used 71163 _cell_measurement_temperature 100 _cell_measurement_theta_max 29.250 _cell_measurement_theta_min 0.976 _cell_volume 4243.9(19) _computing_cell_refinement 'XDS (Kabsch, 1993)' _computing_data_collection 'BluIce (McPhillips, 2002)' _computing_data_reduction 'XDS (Kabsch, 1993)' _computing_molecular_graphics 'Olex2 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 (Dolomanov et al., 2009)' _computing_structure_refinement 'ShelXL (Sheldrick, 2015)' _computing_structure_solution 'ShelXT (Sheldrick, 2015)' _diffrn_ambient_temperature 100(2) _diffrn_detector 'CMOS area detector' _diffrn_detector_area_resol_mean 21 _diffrn_detector_type 'ADSC Quantum 210r' _diffrn_measured_fraction_theta_full 0.996 _diffrn_measured_fraction_theta_max 0.835 _diffrn_measurement_device_type 'ADSC Quantum 210r' _diffrn_measurement_method 'Phi Scan' _diffrn_radiation_monochromator 'Silicon Double Crystal' _diffrn_radiation_probe x-ray _diffrn_radiation_type Synchrotron _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0616 _diffrn_reflns_av_unetI/netI 0.0494 _diffrn_reflns_Laue_measured_fraction_full 0.996 _diffrn_reflns_Laue_measured_fraction_max 0.835 _diffrn_reflns_limit_h_max 18 _diffrn_reflns_limit_h_min -18 _diffrn_reflns_limit_k_max 19 _diffrn_reflns_limit_k_min -20 _diffrn_reflns_limit_l_max 30 _diffrn_reflns_limit_l_min -30 _diffrn_reflns_number 71163 _diffrn_reflns_point_group_measured_fraction_full 0.996 _diffrn_reflns_point_group_measured_fraction_max 0.835 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 29.250 _diffrn_reflns_theta_min 0.976 _diffrn_source 'MX1 Beamline Australian Synchrotron' _exptl_absorpt_coefficient_mu 0.203 _exptl_absorpt_correction_type none _exptl_crystal_colour red _exptl_crystal_colour_primary red _exptl_crystal_density_diffrn 1.802 _exptl_crystal_description block _exptl_crystal_F_000 2278 _exptl_crystal_size_max 0.05 _exptl_crystal_size_mid 0.05 _exptl_crystal_size_min 0.05 _refine_diff_density_max 0.482 _refine_diff_density_min -0.425 _refine_diff_density_rms 0.057 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.036 _refine_ls_hydrogen_treatment mixed _refine_ls_matrix_type full _refine_ls_number_parameters 1767 _refine_ls_number_reflns 19307 _refine_ls_number_restraints 221 _refine_ls_restrained_S_all 1.033 _refine_ls_R_factor_all 0.0743 _refine_ls_R_factor_gt 0.0492 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0744P)^2^+1.2061P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1293 _refine_ls_wR_factor_ref 0.1460 _reflns_Friedel_coverage 0.000 _reflns_number_gt 13675 _reflns_number_total 19307 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file d1cc04903h2.cif _cod_data_source_block 19cmt4391 _cod_original_cell_volume 4243.9(17) _cod_database_code 7129201 _shelx_shelxl_version_number 2018/3 _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. ; _shelx_estimated_absorpt_t_max 0.990 _shelx_estimated_absorpt_t_min 0.990 _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 2. Restrained distances C32-C33 \\sim C32-C33A with sigma of 0.02 F46-C33 \\sim F46A-C33A with sigma of 0.02 F47-C33 \\sim F47A-C33A with sigma of 0.02 C33-C34 \\sim C33A-C34A with sigma of 0.02 C32-F46 \\sim C32-F46A with sigma of 0.04 C32-F47 \\sim C32-F47A with sigma of 0.04 F46-F47 \\sim F46A-F47A with sigma of 0.04 F46-C34 \\sim F46A-C34 with sigma of 0.04 F47-C34 \\sim F47A-C34 with sigma of 0.04 F49-C34 \\sim F49A-C34A with sigma of 0.02 F48-C34 \\sim F48A-C34A with sigma of 0.02 C33-C34 \\sim C33-C34A with sigma of 0.02 C35-C34 \\sim C35-C34A with sigma of 0.02 C34-C33A \\sim C34A-C33A with sigma of 0.02 F49-F48 \\sim F49A-F48A with sigma of 0.04 F49-C33 \\sim F49A-C33 with sigma of 0.04 F49-C35 \\sim F49A-C35 with sigma of 0.04 F49-C33A \\sim F49A-C33A with sigma of 0.04 F48-C33 \\sim F48A-C33 with sigma of 0.04 F48-C35 \\sim F48A-C35 with sigma of 0.04 F48-C33A \\sim F48A-C33A with sigma of 0.04 F50-C35 \\sim F50A-C35A with sigma of 0.02 F51-C35 \\sim F51A-C35A with sigma of 0.02 F51-F48A \\sim F51A-F48A with sigma of 0.02 C35-C34 \\sim C35A-C34 with sigma of 0.02 C35-C36 \\sim C35A-C36 with sigma of 0.02 C35-C34A \\sim C35A-C34A with sigma of 0.02 F50-F51 \\sim F50A-F51A with sigma of 0.04 F50-C34 \\sim F50A-C34 with sigma of 0.04 F50-C36 \\sim F50A-C36 with sigma of 0.04 F50-C34A \\sim F50A-C34A with sigma of 0.04 F51-C34 \\sim F51A-C34 with sigma of 0.04 F51-C36 \\sim F51A-C36 with sigma of 0.04 F51-C34A \\sim F51A-C34A with sigma of 0.04 C35-F48A \\sim C35A-F48A with sigma of 0.04 F54-C36 \\sim F52A-C36A with sigma of 0.02 F52-C36 \\sim F53A-C36A with sigma of 0.02 F53-C36 \\sim F54A-C36A with sigma of 0.02 F53-F50A \\sim F54A-F50A with sigma of 0.02 C35-C36 \\sim C35-C36A with sigma of 0.02 C36-C35A \\sim C36A-C35A with sigma of 0.02 F54-F52 \\sim F52A-F53A with sigma of 0.04 F54-F53 \\sim F52A-F54A with sigma of 0.04 F54-C35 \\sim F52A-C35 with sigma of 0.04 F54-C35A \\sim F52A-C35A with sigma of 0.04 F52-F53 \\sim F53A-F54A with sigma of 0.04 F52-C35 \\sim F53A-C35 with sigma of 0.04 F52-C35A \\sim F53A-C35A with sigma of 0.04 F53-C35 \\sim F54A-C35 with sigma of 0.04 F53-C35A \\sim F54A-C35A with sigma of 0.04 C36-F50A \\sim C36A-F50A with sigma of 0.04 F57-C41 \\sim F57A-C41A with sigma of 0.02 F58-C41 \\sim F58A-C41A with sigma of 0.02 C40-C41 \\sim C40-C41A with sigma of 0.02 C41-C42 \\sim C41A-C42 with sigma of 0.02 F57-F58 \\sim F57A-F58A with sigma of 0.04 F57-C40 \\sim F57A-C40 with sigma of 0.04 F57-C42 \\sim F57A-C42 with sigma of 0.04 F58-C40 \\sim F58A-C40 with sigma of 0.04 F58-C42 \\sim F58A-C42 with sigma of 0.04 F60-C42 \\sim F60A-C42A with sigma of 0.02 F59-C42 \\sim F59A-C42A with sigma of 0.02 F61-C43 \\sim F61A-C43A with sigma of 0.02 F62-C43 \\sim F62A-C43A with sigma of 0.02 F64-C44 \\sim F64A-C44A with sigma of 0.02 F63-C44 \\sim F63A-C44A with sigma of 0.02 F65-C45 \\sim F65A-C45A with sigma of 0.02 F66-C45 \\sim F66A-C45A with sigma of 0.02 F68-C46 \\sim F68A-C46A with sigma of 0.02 F67-C46 \\sim F67A-C46A with sigma of 0.02 F69-C46 \\sim F69A-C46A with sigma of 0.02 C41-C42 \\sim C41-C42A with sigma of 0.02 C42-C43 \\sim C42A-C43A with sigma of 0.02 C42-C41A \\sim C42A-C41A with sigma of 0.02 C43-C44 \\sim C43A-C44A with sigma of 0.02 C44-C45 \\sim C44A-C45A with sigma of 0.02 C45-C46 \\sim C45A-C46A with sigma of 0.02 F60-F59 \\sim F60A-F59A with sigma of 0.04 F60-C41 \\sim F60A-C41 with sigma of 0.04 F60-C43 \\sim F60A-C43A with sigma of 0.04 F60-C41A \\sim F60A-C41A with sigma of 0.04 F59-C41 \\sim F59A-C41 with sigma of 0.04 F59-C43 \\sim F59A-C43A with sigma of 0.04 F59-C41A \\sim F59A-C41A with sigma of 0.04 F61-F62 \\sim F61A-F62A with sigma of 0.04 F61-C42 \\sim F61A-C42A with sigma of 0.04 F61-C44 \\sim F61A-C44A with sigma of 0.04 F62-C42 \\sim F62A-C42A with sigma of 0.04 F62-C44 \\sim F62A-C44A with sigma of 0.04 F64-F63 \\sim F64A-F63A with sigma of 0.04 F64-C43 \\sim F64A-C43A with sigma of 0.04 F64-C45 \\sim F64A-C45A with sigma of 0.04 F63-C43 \\sim F63A-C43A with sigma of 0.04 F63-C45 \\sim F63A-C45A with sigma of 0.04 F65-F66 \\sim F65A-F66A with sigma of 0.04 F65-C44 \\sim F65A-C44A with sigma of 0.04 F65-C46 \\sim F65A-C46A with sigma of 0.04 F66-C44 \\sim F66A-C44A with sigma of 0.04 F66-C46 \\sim F66A-C46A with sigma of 0.04 F68-F67 \\sim F68A-F67A with sigma of 0.04 F68-F69 \\sim F68A-F69A with sigma of 0.04 F68-C45 \\sim F68A-C45A with sigma of 0.04 F67-F69 \\sim F67A-F69A with sigma of 0.04 F67-C45 \\sim F67A-C45A with sigma of 0.04 F69-C45 \\sim F69A-C45A with sigma of 0.04 C41-C43 \\sim C41-C43A with sigma of 0.04 C42-C44 \\sim C42A-C44A with sigma of 0.04 C43-C45 \\sim C43A-C45A with sigma of 0.04 C43-C41A \\sim C43A-C41A with sigma of 0.04 C44-C46 \\sim C44A-C46A with sigma of 0.04 C31-C30 \\sim C31-C30A with sigma of 0.02 C314-C30 \\sim C314-C30A with sigma of 0.02 F40-C30 \\sim F40A-C30A with sigma of 0.02 F41-C30 \\sim F41A-C30A with sigma of 0.02 C31-F40 \\sim C31-F40A with sigma of 0.04 C31-F41 \\sim C31-F41A with sigma of 0.04 C314-F40 \\sim C314-F40A with sigma of 0.04 C314-F41 \\sim C314-F41A with sigma of 0.04 F40-F41 \\sim F40A-F41A with sigma of 0.04 C24-C25 \\sim C24-C25A with sigma of 0.02 F36-C25 \\sim F36A-C25A with sigma of 0.02 F35-C25 \\sim F35A-C25A with sigma of 0.02 C25-C26 \\sim C25A-C26A with sigma of 0.02 F39-C26 \\sim F39A-C26A with sigma of 0.02 F37-C26 \\sim F37A-C26A with sigma of 0.02 F38-C26 \\sim F38A-C26A with sigma of 0.02 C24-F36 \\sim C24-F36A with sigma of 0.04 C24-F35 \\sim C24-F35A with sigma of 0.04 C24-C26 \\sim C24-C26A with sigma of 0.04 F36-F35 \\sim F36A-F35A with sigma of 0.04 F36-C26 \\sim F36A-C26A with sigma of 0.04 F35-C26 \\sim F35A-C26A with sigma of 0.04 C25-F39 \\sim C25A-F39A with sigma of 0.04 C25-F37 \\sim C25A-F37A with sigma of 0.04 C25-F38 \\sim C25A-F38A with sigma of 0.04 F39-F37 \\sim F39A-F37A with sigma of 0.04 F39-F38 \\sim F39A-F38A with sigma of 0.04 F37-F38 \\sim F37A-F38A with sigma of 0.04 3. Others Sof(F57A)=Sof(F58A)=Sof(F59A)=Sof(F60A)=Sof(F61A)=Sof(F62A)=Sof(F63A)= Sof(F64A)=Sof(F65A)=Sof(F66A)=Sof(F67A)=Sof(F68A)=Sof(F69A)=Sof(C41A)= Sof(C42A)=Sof(C43A)=Sof(C44A)=Sof(C45A)=Sof(C46A)=1-FVAR(1) Sof(F57)=Sof(F58)=Sof(F59)=Sof(F60)=Sof(F61)=Sof(F62)=Sof(F63)=Sof(F64)= Sof(F65)=Sof(F66)=Sof(F67)=Sof(F68)=Sof(F69)=Sof(C41)=Sof(C42)=Sof(C43)= Sof(C44)=Sof(C45)=Sof(C46)=FVAR(1) Sof(F40A)=Sof(F41A)=Sof(C30A)=1-FVAR(2) Sof(F40)=Sof(F41)=Sof(C30)=FVAR(2) Sof(F46A)=Sof(F47A)=Sof(F48A)=Sof(F49A)=Sof(F50A)=Sof(F51A)=Sof(F52A)= Sof(F53A)=Sof(F54A)=Sof(C33A)=Sof(C34A)=Sof(C35A)=Sof(C36A)=1-FVAR(3) Sof(F46)=Sof(F47)=Sof(F48)=Sof(F49)=Sof(F50)=Sof(F51)=Sof(F52)=Sof(F53)= Sof(F54)=Sof(C33)=Sof(C34)=Sof(C35)=Sof(C36)=FVAR(3) Sof(F35A)=Sof(F36A)=Sof(F37A)=Sof(F38A)=Sof(F39A)=Sof(C25A)=Sof(C26A)=1-FVAR(4) Sof(F35)=Sof(F36)=Sof(F37)=Sof(F38)=Sof(F39)=Sof(C25)=Sof(C26)=FVAR(4) 4.a Secondary CH2 refined with riding coordinates: C502(H50D,H50E), C503(H50F,H50G) 4.b Aromatic/amide H refined with riding coordinates: C103(H103), C104(H104), C108(H108), C109(H109), C110(H110), C111(H111), C203(H203), C204(H204), C208(H208), C209(H209), C210(H210), C211(H211), C303(H303), C304(H304), C308(H308), C309(H309), C310(H310), C311(H311), C403(H403), C404(H404), C408(H408), C409(H409), C410(H410), C411(H411) 4.c Idealised Me refined as rotating group: C501(H50A,H50B,H50C) ; _shelx_res_file ; TITL 19cmt4391_a.res in P-1 19cmt4391.res created by SHELXL-2018/3 at 11:56:12 on 29-Apr-2021 REM Old TITL 19cmt4391_b.res in P1 REM SHELXT solution in P-1: R1 0.198, Rweak 0.012, Alpha 0.051 REM 0.000 for 0 systematic absences, Orientation as input REM Formula found by SHELXT: C80 N18 F65 O26 REM SIMU 0.04 0.08 1.7 C32 > C34A REM SIMU 0.04 0.08 1.7 C40 > C43A REM SIMU 0.04 0.08 1.7 C23 CELL 0.71073 13.92 14.71 22.5 101.487 106.91 96.713 ZERR 2 0.0028 0.0029 0.0045 0.03 0.03 0.03 LATT 1 SFAC C H F N O UNIT 158 74 120 16 8 SADI C32 C33 C32 C33A SADI F46 C33 F46A C33A SADI F47 C33 F47A C33A SADI C33 C34 C33A C34A SADI 0.04 C32 F46 C32 F46A SADI 0.04 C32 F47 C32 F47A SADI 0.04 F46 F47 F46A F47A SADI 0.04 F46 C34 F46A C34 SADI 0.04 F47 C34 F47A C34 SADI F49 C34 F49A C34A SADI F48 C34 F48A C34A SADI C33 C34 C33 C34A SADI C35 C34 C35 C34A SADI C34 C33A C34A C33A SADI 0.04 F49 F48 F49A F48A SADI 0.04 F49 C33 F49A C33 SADI 0.04 F49 C35 F49A C35 SADI 0.04 F49 C33A F49A C33A SADI 0.04 F48 C33 F48A C33 SADI 0.04 F48 C35 F48A C35 SADI 0.04 F48 C33A F48A C33A SADI F50 C35 F50A C35A SADI F51 C35 F51A C35A SADI F51 F48A F51A F48A SADI C35 C34 C35A C34 SADI C35 C36 C35A C36 SADI C35 C34A C35A C34A SADI 0.04 F50 F51 F50A F51A SADI 0.04 F50 C34 F50A C34 SADI 0.04 F50 C36 F50A C36 SADI 0.04 F50 C34A F50A C34A SADI 0.04 F51 C34 F51A C34 SADI 0.04 F51 C36 F51A C36 SADI 0.04 F51 C34A F51A C34A SADI 0.04 C35 F48A C35A F48A SADI F54 C36 F52A C36A SADI F52 C36 F53A C36A SADI F53 C36 F54A C36A SADI F53 F50A F54A F50A SADI C35 C36 C35 C36A SADI C36 C35A C36A C35A SADI 0.04 F54 F52 F52A F53A SADI 0.04 F54 F53 F52A F54A SADI 0.04 F54 C35 F52A C35 SADI 0.04 F54 C35A F52A C35A SADI 0.04 F52 F53 F53A F54A SADI 0.04 F52 C35 F53A C35 SADI 0.04 F52 C35A F53A C35A SADI 0.04 F53 C35 F54A C35 SADI 0.04 F53 C35A F54A C35A SADI 0.04 C36 F50A C36A F50A SADI F57 C41 F57A C41A SADI F58 C41 F58A C41A SADI C40 C41 C40 C41A SADI C41 C42 C41A C42 SADI 0.04 F57 F58 F57A F58A SADI 0.04 F57 C40 F57A C40 SADI 0.04 F57 C42 F57A C42 SADI 0.04 F58 C40 F58A C40 SADI 0.04 F58 C42 F58A C42 SADI F60 C42 F60A C42A SADI F59 C42 F59A C42A SADI F61 C43 F61A C43A SADI F62 C43 F62A C43A SADI F64 C44 F64A C44A SADI F63 C44 F63A C44A SADI F65 C45 F65A C45A SADI F66 C45 F66A C45A SADI F68 C46 F68A C46A SADI F67 C46 F67A C46A SADI F69 C46 F69A C46A SADI C41 C42 C41 C42A SADI C42 C43 C42A C43A SADI C42 C41A C42A C41A SADI C43 C44 C43A C44A SADI C44 C45 C44A C45A SADI C45 C46 C45A C46A SADI 0.04 F60 F59 F60A F59A SADI 0.04 F60 C41 F60A C41 SADI 0.04 F60 C43 F60A C43A SADI 0.04 F60 C41A F60A C41A SADI 0.04 F59 C41 F59A C41 SADI 0.04 F59 C43 F59A C43A SADI 0.04 F59 C41A F59A C41A SADI 0.04 F61 F62 F61A F62A SADI 0.04 F61 C42 F61A C42A SADI 0.04 F61 C44 F61A C44A SADI 0.04 F62 C42 F62A C42A SADI 0.04 F62 C44 F62A C44A SADI 0.04 F64 F63 F64A F63A SADI 0.04 F64 C43 F64A C43A SADI 0.04 F64 C45 F64A C45A SADI 0.04 F63 C43 F63A C43A SADI 0.04 F63 C45 F63A C45A SADI 0.04 F65 F66 F65A F66A SADI 0.04 F65 C44 F65A C44A SADI 0.04 F65 C46 F65A C46A SADI 0.04 F66 C44 F66A C44A SADI 0.04 F66 C46 F66A C46A SADI 0.04 F68 F67 F68A F67A SADI 0.04 F68 F69 F68A F69A SADI 0.04 F68 C45 F68A C45A SADI 0.04 F67 F69 F67A F69A SADI 0.04 F67 C45 F67A C45A SADI 0.04 F69 C45 F69A C45A SADI 0.04 C41 C43 C41 C43A SADI 0.04 C42 C44 C42A C44A SADI 0.04 C43 C45 C43A C45A SADI 0.04 C43 C41A C43A C41A SADI 0.04 C44 C46 C44A C46A SADI C31 C30 C31 C30A SADI C314 C30 C314 C30A SADI F40 C30 F40A C30A SADI F41 C30 F41A C30A SADI 0.04 C31 F40 C31 F40A SADI 0.04 C31 F41 C31 F41A SADI 0.04 C314 F40 C314 F40A SADI 0.04 C314 F41 C314 F41A SADI 0.04 F40 F41 F40A F41A SADI C24 C25 C24 C25A SADI F36 C25 F36A C25A SADI F35 C25 F35A C25A SADI C25 C26 C25A C26A SADI F39 C26 F39A C26A SADI F37 C26 F37A C26A SADI F38 C26 F38A C26A SADI 0.04 C24 F36 C24 F36A SADI 0.04 C24 F35 C24 F35A SADI 0.04 C24 C26 C24 C26A SADI 0.04 F36 F35 F36A F35A SADI 0.04 F36 C26 F36A C26A SADI 0.04 F35 C26 F35A C26A SADI 0.04 C25 F39 C25A F39A SADI 0.04 C25 F37 C25A F37A SADI 0.04 C25 F38 C25A F38A SADI 0.04 F39 F37 F39A F37A SADI 0.04 F39 F38 F39A F38A SADI 0.04 F37 F38 F37A F38A L.S. 10 PLAN 20 SIZE 0.05 0.05 0.05 BOND list 4 fmap 2 acta OMIT 3 -7 6 OMIT -1 -4 26 OMIT 0 3 16 OMIT -3 7 22 OMIT -6 7 22 OMIT 5 11 11 REM REM REM WGHT 0.074700 1.199000 FVAR 0.25130 0.77769 0.61787 0.75167 0.65798 F10 3 1.177593 0.706759 0.856809 11.00000 0.05618 0.04441 = 0.04940 0.01088 0.01703 0.01142 F11 3 1.033677 0.632752 0.784607 11.00000 0.03918 0.04477 = 0.06373 0.02125 0.01937 0.01252 F12 3 1.261735 0.724821 0.763217 11.00000 0.03884 0.05240 = 0.06523 0.02629 0.01531 0.00531 F13 3 1.128084 0.787947 0.763765 11.00000 0.05618 0.03750 = 0.05607 0.01322 0.01812 0.01308 F14 3 1.007478 0.655285 0.665365 11.00000 0.04082 0.06473 = 0.05443 0.02173 0.01083 0.00053 F15 3 1.124522 0.567867 0.670242 11.00000 0.08654 0.03974 = 0.05574 0.01674 0.02749 0.01603 F16 3 1.235382 0.681311 0.631346 11.00000 0.05671 0.08228 = 0.07414 0.03828 0.03389 0.02792 F17 3 1.160854 0.799110 0.654494 11.00000 0.06664 0.04059 = 0.05500 0.01515 0.01809 0.00147 F18 3 0.989770 0.721966 0.562492 11.00000 0.05115 0.06160 = 0.05312 0.01934 0.01699 0.01343 F19 3 1.037163 0.584505 0.547116 11.00000 0.10349 0.03897 = 0.05491 0.01201 0.02413 0.00304 F20 3 1.180777 0.649315 0.502861 11.00000 0.12177 0.09361 = 0.08724 0.05076 0.06741 0.07192 F21 3 1.163339 0.794505 0.533471 11.00000 0.05560 0.05991 = 0.06783 0.02962 0.02179 0.00716 F22 3 0.974422 0.612074 0.425425 11.00000 0.14579 0.05388 = 0.05911 0.01288 0.02009 -0.01090 F23 3 1.082246 0.707275 0.404358 11.00000 0.11529 0.07651 = 0.06348 0.03008 0.04641 0.03209 F24 3 0.976166 0.761386 0.448695 11.00000 0.06664 0.06278 = 0.06218 0.02612 0.01836 0.01488 F25 3 0.822480 0.877147 0.818200 11.00000 0.04477 0.06346 = 0.04591 0.01645 0.01505 0.01075 F26 3 0.926507 0.790093 0.790643 11.00000 0.06035 0.03351 = 0.03712 0.00664 0.00913 0.00942 F27 3 1.044868 0.963966 0.790057 11.00000 0.04360 0.05689 = 0.05042 0.01846 0.00797 0.00053 F28 3 0.910596 1.025943 0.792805 11.00000 0.07505 0.03665 = 0.04350 0.00868 0.01268 0.02034 F29 3 0.798637 0.857549 0.691914 11.00000 0.04829 0.05313 = 0.04412 0.01539 0.00728 -0.00107 F30 3 0.947688 0.842759 0.683181 11.00000 0.07028 0.05650 = 0.04142 0.01547 0.01901 0.03247 F31 3 0.972731 1.043068 0.687464 11.00000 0.07624 0.06408 = 0.05252 0.02646 -0.00170 -0.01931 F32 3 0.809472 1.024129 0.671103 11.00000 0.08551 0.05647 = 0.04977 0.01808 0.01649 0.03719 F33 3 0.802750 0.854933 0.573013 11.00000 0.08014 0.04148 = 0.04337 0.01315 0.00932 0.00345 F34 3 0.955070 0.925970 0.582846 11.00000 0.06319 0.12227 = 0.05676 0.03906 0.02559 0.03411 PART 1 F35 3 0.856869 1.093653 0.575939 51.00000 0.06905 0.04502 = 0.04964 0.02149 0.00482 0.00028 PART 0 PART 2 F35A 3 0.896346 1.076103 0.565243 -51.00000 0.10552 0.05608 = 0.05283 0.02066 0.00673 -0.01924 PART 0 PART 1 F36 3 0.715909 0.994279 0.547809 51.00000 0.04746 0.05808 = 0.05106 0.02586 0.01073 0.01461 PART 0 PART 2 F36A 3 0.736207 1.013011 0.546312 -51.00000 0.11478 0.11961 = 0.08336 0.06182 0.04264 0.06344 PART 0 PART 1 F37 3 0.791369 0.884529 0.457089 51.00000 0.10688 0.05875 = 0.04080 0.01279 0.01862 0.03247 PART 0 PART 2 F37A 3 0.756142 0.872717 0.452257 -51.00000 0.23067 0.07190 = 0.05515 0.02482 -0.01715 -0.02758 PART 0 PART 1 F38 3 0.904511 1.009391 0.477607 51.00000 0.06094 0.11811 = 0.06504 0.05054 0.02707 0.01947 PART 0 PART 2 F38A 3 0.902782 0.946698 0.464616 -51.00000 0.17046 0.24400 = 0.07721 0.06947 0.06862 0.11765 PART 0 PART 1 F39 3 0.748014 1.016049 0.444361 51.00000 0.06166 0.05857 = 0.04009 0.02065 0.00289 0.00695 PART 0 PART 2 F39A 3 0.772707 1.010821 0.437714 -51.00000 0.22521 0.07240 = 0.05523 0.03879 0.02496 0.02107 PART 0 PART 1 F40 3 0.438204 0.648428 0.741524 31.00000 0.07084 0.03599 = 0.03824 0.00489 0.01725 -0.00653 PART 0 PART 2 F40A 3 0.491981 0.640742 0.745670 -31.00000 0.09074 0.03626 = 0.04132 0.00690 0.02283 0.00375 PART 0 PART 1 F41 3 0.605452 0.677966 0.768076 31.00000 0.07247 0.06078 = 0.05278 0.02686 0.03524 0.04123 PART 0 PART 2 F41A 3 0.650535 0.718078 0.783252 -31.00000 0.06155 0.06998 = 0.05391 0.02204 0.02761 0.03402 PART 0 F42 3 0.596016 0.868601 0.761996 11.00000 0.04787 0.04591 = 0.04654 0.00514 0.01578 -0.00353 F43 3 0.432058 0.825045 0.736690 11.00000 0.04511 0.05516 = 0.04576 0.01221 0.02096 0.01564 F44 3 0.443476 0.680646 0.636814 11.00000 0.06865 0.04208 = 0.03941 0.00698 0.01760 -0.00422 F45 3 0.605068 0.741445 0.662623 11.00000 0.05327 0.07444 = 0.05056 0.02162 0.02818 0.02761 PART 1 F46 3 0.537856 0.916833 0.651170 41.00000 0.06475 0.03826 = 0.04272 0.01128 0.01876 0.00859 PART 0 PART 2 F46A 3 0.582039 0.889258 0.634808 -41.00000 0.05321 0.06113 = 0.06274 0.02563 0.01109 -0.00681 PART 0 PART 1 F47 3 0.383158 0.836517 0.613028 41.00000 0.04308 0.07667 = 0.04420 0.02452 0.01902 0.02281 PART 0 PART 2 F47A 3 0.425666 0.874865 0.633471 -41.00000 0.07081 0.05158 = 0.04204 0.00685 0.01630 0.02665 PART 0 PART 1 F48 3 0.467874 0.707840 0.531409 41.00000 0.07500 0.04311 = 0.04094 0.00438 0.02448 0.00360 PART 0 PART 2 F48A 3 0.359804 0.738381 0.530142 -41.00000 0.05681 0.05355 = 0.05345 0.00599 0.01763 0.00008 PART 0 PART 1 F49 3 0.595464 0.825580 0.561382 41.00000 0.03901 0.06205 = 0.04568 0.02016 0.01816 0.01076 PART 0 PART 2 F49A 3 0.509612 0.710203 0.535495 -41.00000 0.09247 0.06481 = 0.05926 0.02794 0.04710 0.04645 PART 0 PART 1 F50 3 0.449159 0.938898 0.527529 41.00000 0.05380 0.05539 = 0.04500 0.02078 0.02367 0.02384 PART 0 PART 2 F50A 3 0.567401 0.869424 0.508919 -41.00000 0.06020 0.07967 = 0.06979 0.03020 0.02317 0.00444 PART 0 PART 1 F51 3 0.333889 0.813589 0.488694 41.00000 0.03883 0.09319 = 0.04628 0.02700 0.01393 0.00513 PART 0 PART 2 F51A 3 0.442635 0.929891 0.528383 -41.00000 0.19150 0.08575 = 0.05996 0.03757 0.04804 0.04826 PART 0 PART 1 F52 3 0.433261 0.739206 0.410415 41.00000 0.06905 0.06316 = 0.04927 0.00123 0.01984 -0.00581 PART 0 PART 2 F52A 3 0.443328 0.731845 0.412552 -41.00000 0.07133 0.07855 = 0.04288 0.02307 0.03762 0.02736 PART 0 PART 1 F53 3 0.552710 0.865359 0.446905 41.00000 0.04930 0.05848 = 0.04465 0.01650 0.02267 0.00672 PART 0 PART 2 F53A 3 0.427352 0.869441 0.398225 -41.00000 0.10916 0.06763 = 0.04691 0.02120 0.03331 -0.00891 PART 0 PART 1 F54 3 0.397268 0.874991 0.401612 41.00000 0.06293 0.10285 = 0.04503 0.03314 0.02111 0.02397 PART 0 PART 2 F54A 3 0.308188 0.792212 0.421682 -41.00000 0.05484 0.07434 = 0.05414 0.01495 0.01277 0.01378 PART 0 F55 3 0.461559 0.461139 0.648644 11.00000 0.04178 0.04572 = 0.04725 0.01671 0.00606 0.00048 F56 3 0.311226 0.477860 0.655280 11.00000 0.06300 0.04357 = 0.04759 0.01092 0.02271 0.02188 PART 1 F57 3 0.214376 0.351645 0.547141 21.00000 0.03732 0.05665 = 0.04628 0.02150 0.00834 -0.00238 PART 0 PART 2 F57A 3 0.238352 0.317982 0.544093 -21.00000 0.07354 0.05697 = 0.03803 0.02109 0.00845 -0.01202 PART 0 PART 1 F58 3 0.355127 0.302409 0.543278 21.00000 0.07527 0.03751 = 0.03964 0.01340 0.02016 0.02128 PART 0 PART 2 F58A 3 0.393817 0.327449 0.546980 -21.00000 0.09982 0.05153 = 0.03568 0.01335 0.02169 0.04456 PART 0 PART 1 F59 3 0.429991 0.460725 0.522927 21.00000 0.03601 0.07859 = 0.04901 0.03277 0.00973 0.00081 PART 0 PART 2 F59A 3 0.393100 0.519154 0.544072 -21.00000 0.08920 0.04340 = 0.03422 0.01232 -0.00031 -0.01904 PART 0 PART 1 F60 3 0.315710 0.533734 0.549413 21.00000 0.07097 0.03413 = 0.04192 0.00956 0.01196 0.01080 PART 0 PART 2 F60A 3 0.233993 0.487783 0.526912 -21.00000 0.08068 0.07740 = 0.05015 0.03127 0.03345 0.05072 PART 0 PART 1 F61 3 0.168132 0.434092 0.449269 21.00000 0.03641 0.06742 = 0.04609 0.02570 0.01318 0.00739 PART 0 PART 2 F61A 3 0.230798 0.327593 0.425991 -21.00000 0.13644 0.05843 = 0.04340 0.01967 0.00572 -0.02876 PART 0 PART 1 F62 3 0.258349 0.330437 0.427324 21.00000 0.08628 0.02801 = 0.03847 0.00906 0.01326 0.00512 PART 0 PART 2 F62A 3 0.384389 0.388658 0.442096 -21.00000 0.07510 0.07808 = 0.05820 0.03315 0.03591 0.04553 PART 0 PART 1 F63 3 0.378794 0.448879 0.395501 21.00000 0.04001 0.06803 = 0.04667 0.02399 0.01809 0.01672 PART 0 PART 2 F63A 3 0.322988 0.561577 0.433807 -21.00000 0.08784 0.10159 = 0.03837 0.04523 -0.00553 0.00806 PART 0 PART 1 F64 3 0.321433 0.569148 0.435460 21.00000 0.05810 0.02579 = 0.04959 0.00897 0.01703 -0.00407 PART 0 PART 2 F64A 3 0.166737 0.490587 0.403592 -21.00000 0.04418 0.07099 = 0.04841 0.02209 0.01334 0.01917 PART 0 PART 1 F65 3 0.137088 0.509424 0.350149 21.00000 0.04670 0.05836 = 0.04969 0.02360 0.01862 0.02182 PART 0 PART 2 F65A 3 0.204927 0.357291 0.310252 -21.00000 0.08295 0.03119 = 0.04286 0.00593 0.01175 -0.00828 PART 0 PART 1 F66 3 0.175182 0.373252 0.315493 21.00000 0.05103 0.03950 = 0.04321 0.01302 0.00825 0.00267 PART 0 PART 2 F66A 3 0.356505 0.439316 0.335454 -21.00000 0.06260 0.06891 = 0.05631 0.02274 0.03073 0.01973 PART 0 PART 1 F67 3 0.315159 0.459788 0.273204 21.00000 0.07125 0.09251 = 0.05402 0.02853 0.03543 0.03284 PART 0 PART 2 F67A 3 0.275436 0.590919 0.311355 -21.00000 0.11533 0.10076 = 0.05421 0.05189 -0.02149 -0.04960 PART 0 PART 1 F68 3 0.291598 0.594967 0.313406 21.00000 0.08964 0.04426 = 0.05627 0.02023 0.02537 -0.00310 PART 0 PART 2 F68A 3 0.127016 0.519742 0.286665 -21.00000 0.06729 0.12142 = 0.07221 0.05246 0.01074 0.03275 PART 0 PART 1 F69 3 0.167015 0.495588 0.239989 21.00000 0.05911 0.07245 = 0.04432 0.03072 0.00968 0.00802 PART 0 PART 2 F69A 3 0.220292 0.466253 0.231150 -21.00000 0.12173 0.06702 = 0.04540 0.02375 0.02788 0.01954 PART 0 O115 5 1.270372 0.558074 0.809347 11.00000 0.03590 0.04491 = 0.05855 0.01797 0.01582 0.00793 O215 5 0.999491 0.993366 0.915095 11.00000 0.07549 0.04063 = 0.04785 0.00276 0.00117 0.02015 O315 5 0.602484 0.820355 0.877942 11.00000 0.04813 0.05509 = 0.04119 0.01180 0.01416 -0.00338 O415 5 0.277437 0.295546 0.666336 11.00000 0.04239 0.05367 = 0.04886 0.02144 0.02191 0.01354 N101 4 0.811510 0.383325 0.846841 11.00000 0.03331 0.03297 = 0.03622 0.01007 0.01561 0.00921 H101 2 0.811506 0.434975 0.875264 11.00000 0.08125 N113 4 1.108947 0.480784 0.793452 11.00000 0.03525 0.03751 = 0.04655 0.01528 0.01765 0.00975 H113 2 1.055925 0.488822 0.788101 11.00000 0.04917 N201 4 0.970481 0.544500 0.923841 11.00000 0.03598 0.03242 = 0.03643 0.00945 0.01564 0.00859 N213 4 1.037733 0.846704 0.912399 11.00000 0.04480 0.03107 = 0.03365 0.00737 0.01171 0.00584 H213 2 1.018282 0.791812 0.891532 11.00000 0.05201 N301 4 0.819063 0.649411 0.952863 11.00000 0.03460 0.03300 = 0.03745 0.00770 0.01358 0.00922 H301 2 0.816700 0.595823 0.933704 11.00000 0.09592 N313 4 0.471096 0.700623 0.860958 11.00000 0.04015 0.03143 = 0.03762 0.00668 0.00860 0.00676 H313 2 0.431122 0.663077 0.838064 11.00000 0.04784 N401 4 0.660489 0.487090 0.880382 11.00000 0.03574 0.03119 = 0.03554 0.00842 0.01451 0.00850 N413 4 0.451029 0.309949 0.694427 11.00000 0.03663 0.03769 = 0.03758 0.01234 0.01026 0.00441 H413 2 0.501013 0.342537 0.698316 11.00000 0.04365 C10 1 1.136196 0.648240 0.797170 11.00000 0.03792 0.04071 = 0.04632 0.01170 0.01232 0.00792 C11 1 1.160101 0.705174 0.750803 11.00000 0.03921 0.03723 = 0.05223 0.01264 0.01470 0.00845 C12 1 1.108051 0.657353 0.678996 11.00000 0.04481 0.03750 = 0.05215 0.01321 0.01706 0.00810 C13 1 1.145446 0.705504 0.632186 11.00000 0.04922 0.04110 = 0.05642 0.01645 0.01997 0.01289 C14 1 1.069417 0.677769 0.563057 11.00000 0.06071 0.03608 = 0.05410 0.01329 0.02318 0.01214 C15 1 1.113484 0.704913 0.511729 11.00000 0.06947 0.05261 = 0.05952 0.02218 0.02981 0.02699 C16 1 1.033720 0.695458 0.446373 11.00000 0.09139 0.04399 = 0.05823 0.01676 0.03072 0.01022 C20 1 0.919191 0.878513 0.818063 11.00000 0.04502 0.03608 = 0.03686 0.00691 0.01053 0.00886 C21 1 0.942836 0.944836 0.776886 11.00000 0.04382 0.03450 = 0.04064 0.00893 0.00986 0.00905 C22 1 0.892945 0.903870 0.703558 11.00000 0.04575 0.03511 = 0.04122 0.01023 0.01171 0.00964 C23 1 0.885719 0.979251 0.663869 11.00000 0.05181 0.04016 = 0.04244 0.01458 0.00762 0.00681 C24 1 0.865204 0.937773 0.591325 11.00000 0.04870 0.04974 = 0.04213 0.01614 0.01066 0.01104 PART 1 C25 1 0.813331 1.002528 0.549780 51.00000 0.04844 0.04720 = 0.03455 0.02146 0.00551 0.00704 PART 0 PART 2 C25A 1 0.826577 0.995724 0.543501 -51.00000 0.07119 0.04134 = 0.08540 0.00503 0.02330 -0.00236 PART 0 PART 1 C26 1 0.813995 0.976180 0.480325 51.00000 0.04989 0.07274 = 0.04937 0.01830 0.01434 0.00988 PART 0 PART 2 C26A 1 0.815417 0.955866 0.472961 -51.00000 0.11957 0.06943 = 0.02925 0.02745 0.01168 0.02904 PART 0 PART 1 C30 1 0.523084 0.715913 0.771192 31.00000 0.04143 0.03181 = 0.03708 0.00704 0.01705 0.00918 PART 0 PART 2 C30A 1 0.553254 0.726301 0.776981 -31.00000 0.04708 0.03798 = 0.04056 0.00527 0.01148 0.00203 PART 0 C31 1 0.518932 0.795252 0.734313 11.00000 0.03848 0.03565 = 0.04149 0.00964 0.01673 0.00778 C32 1 0.513028 0.759806 0.663335 11.00000 0.04299 0.03892 = 0.04162 0.00999 0.01820 0.00809 PART 1 C33 1 0.482630 0.830718 0.621271 41.00000 0.04078 0.03191 = 0.02503 0.00703 0.01249 0.00706 PART 0 PART 2 C33A 1 0.494817 0.824729 0.617442 -41.00000 0.04610 0.07417 = 0.15526 0.02941 0.04160 0.01651 PART 0 PART 1 C34 1 0.496007 0.800623 0.554376 41.00000 0.04088 0.04526 = 0.03401 0.01019 0.01221 0.00503 PART 0 PART 2 C34A 1 0.457703 0.778585 0.545142 -41.00000 0.04654 0.05820 = 0.03813 -0.00701 0.01045 0.01761 PART 0 PART 1 C35 1 0.432883 0.847639 0.503231 41.00000 0.03670 0.05572 = 0.04043 0.01654 0.01334 0.01008 PART 0 PART 2 C35A 1 0.467794 0.846465 0.505130 -41.00000 0.02903 0.04981 = 0.07254 0.01173 0.01425 0.00941 PART 0 PART 1 C36 1 0.456040 0.831617 0.438905 41.00000 0.04769 0.05748 = 0.04028 0.01501 0.01327 0.00340 PART 0 PART 2 C36A 1 0.407515 0.805609 0.431266 -41.00000 0.07417 0.05455 = 0.04209 0.01865 0.01675 -0.00184 PART 0 C40 1 0.364183 0.415520 0.634584 11.00000 0.03856 0.03777 = 0.03727 0.01042 0.01169 0.00901 PART 1 C41 1 0.315929 0.377769 0.560759 21.00000 0.04100 0.02770 = 0.02623 0.01000 0.00944 0.00140 PART 0 PART 2 C41A 1 0.325994 0.383710 0.560963 -21.00000 0.03117 0.05157 = 0.11880 0.00249 0.02603 0.01318 PART 0 PART 1 C42 1 0.332221 0.451856 0.521466 21.00000 0.03784 0.03202 = 0.03111 0.01335 0.00755 0.00174 PART 0 PART 2 C42A 1 0.312939 0.445599 0.520827 -21.00000 0.04985 0.03222 = 0.09595 0.00754 0.04387 0.00217 PART 0 PART 1 C43 1 0.262796 0.420804 0.450349 21.00000 0.03833 0.03224 = 0.03373 0.01102 0.00691 0.00284 PART 0 PART 2 C43A 1 0.297819 0.410158 0.449416 -21.00000 0.03145 0.05337 = 0.07132 0.02957 0.00875 0.01262 PART 0 PART 1 C44 1 0.295751 0.478020 0.406527 21.00000 0.03947 0.03195 = 0.03624 0.00981 0.01326 0.00291 PART 0 PART 2 C44A 1 0.260028 0.475520 0.404846 -21.00000 0.03619 0.04092 = 0.06464 0.00977 0.01765 -0.00214 PART 0 PART 1 C45 1 0.212782 0.465064 0.341124 21.00000 0.04179 0.03662 = 0.04216 0.01404 0.01511 0.01020 PART 0 PART 2 C45A 1 0.261130 0.444369 0.336158 -21.00000 0.04969 0.04057 = 0.03903 0.01352 0.01199 -0.00162 PART 0 PART 1 C46 1 0.247244 0.505032 0.290813 21.00000 0.04645 0.04965 = 0.04029 0.02249 0.01433 0.00795 PART 0 PART 2 C46A 1 0.220407 0.504202 0.289761 -21.00000 0.07478 0.04777 = 0.06677 -0.01428 0.01417 -0.00235 PART 0 C102 1 0.724786 0.319709 0.810178 11.00000 0.03659 0.03310 = 0.03071 0.01142 0.01310 0.00856 C103 1 0.752586 0.246186 0.769878 11.00000 0.03968 0.03306 = 0.03298 0.00960 0.01493 0.01058 AFIX 43 H103 2 0.708325 0.193669 0.740287 11.00000 -1.20000 AFIX 0 C104 1 0.855130 0.267091 0.782725 11.00000 0.03836 0.03566 = 0.03554 0.01182 0.01755 0.01152 AFIX 43 H104 2 0.893713 0.232017 0.762954 11.00000 -1.20000 AFIX 0 C105 1 0.893394 0.352659 0.832082 11.00000 0.03684 0.03256 = 0.03553 0.01262 0.01707 0.01146 C106 1 0.995948 0.396646 0.862049 11.00000 0.03656 0.03219 = 0.03884 0.01262 0.01742 0.00969 C107 1 1.074114 0.349889 0.840129 11.00000 0.03215 0.03285 = 0.03865 0.00761 0.01486 0.00756 C108 1 1.091435 0.262359 0.850552 11.00000 0.03715 0.03748 = 0.04370 0.01323 0.01618 0.00990 AFIX 43 H108 2 1.055500 0.232899 0.872646 11.00000 -1.20000 AFIX 0 C109 1 1.161790 0.218259 0.828378 11.00000 0.04088 0.03606 = 0.05277 0.00987 0.01637 0.01400 AFIX 43 H109 2 1.173347 0.160041 0.836117 11.00000 -1.20000 AFIX 0 C110 1 1.214614 0.261158 0.794756 11.00000 0.03767 0.04090 = 0.05304 0.00614 0.02042 0.01189 AFIX 43 H110 2 1.261073 0.231250 0.779511 11.00000 -1.20000 AFIX 0 C111 1 1.198685 0.348312 0.783697 11.00000 0.04023 0.04245 = 0.04951 0.01023 0.02238 0.00885 AFIX 43 H111 2 1.234460 0.376984 0.761193 11.00000 -1.20000 AFIX 0 C112 1 1.129467 0.392518 0.806208 11.00000 0.03524 0.03344 = 0.04158 0.00907 0.01537 0.00666 C114 1 1.179644 0.555377 0.799439 11.00000 0.03863 0.04065 = 0.04048 0.01458 0.01332 0.00700 C202 1 1.031145 0.483528 0.908093 11.00000 0.03522 0.03543 = 0.04030 0.01142 0.01649 0.00984 C203 1 1.137663 0.526048 0.940404 11.00000 0.03363 0.04020 = 0.04474 0.01107 0.01517 0.01163 AFIX 43 H203 2 1.193675 0.497861 0.939081 11.00000 -1.20000 AFIX 0 C204 1 1.140173 0.614575 0.972878 11.00000 0.03480 0.03751 = 0.04046 0.00816 0.01271 0.00635 AFIX 43 H204 2 1.198269 0.659279 0.997689 11.00000 -1.20000 AFIX 0 C205 1 1.034776 0.626535 0.961614 11.00000 0.03530 0.03493 = 0.03608 0.01088 0.01368 0.00747 C206 1 1.003804 0.710831 0.982954 11.00000 0.03588 0.03348 = 0.03123 0.00981 0.01102 0.00576 C207 1 1.084247 0.798766 1.013119 11.00000 0.03364 0.03120 = 0.03713 0.00844 0.01389 0.00895 C208 1 1.143107 0.819445 1.077357 11.00000 0.03845 0.03759 = 0.03568 0.01098 0.01365 0.01100 AFIX 43 H208 2 1.134480 0.776932 1.101771 11.00000 -1.20000 AFIX 0 C209 1 1.214621 0.902593 1.105690 11.00000 0.03627 0.04205 = 0.03643 0.00646 0.00856 0.01145 AFIX 43 H209 2 1.251610 0.916385 1.149115 11.00000 -1.20000 AFIX 0 C210 1 1.230978 0.964986 1.069453 11.00000 0.03557 0.03474 = 0.04579 0.00526 0.01219 0.00549 AFIX 43 H210 2 1.279963 1.019965 1.088229 11.00000 -1.20000 AFIX 0 C211 1 1.174188 0.945242 1.005217 11.00000 0.03968 0.03579 = 0.04366 0.01259 0.01625 0.00751 AFIX 43 H211 2 1.185682 0.986393 0.980488 11.00000 -1.20000 AFIX 0 C212 1 1.100059 0.863928 0.977765 11.00000 0.03703 0.03403 = 0.03497 0.00838 0.01246 0.00866 C214 1 0.991384 0.912499 0.887752 11.00000 0.04749 0.03729 = 0.03688 0.00856 0.01184 0.00939 C302 1 0.903066 0.720394 0.977859 11.00000 0.03777 0.03360 = 0.03164 0.00940 0.01167 0.00687 C303 1 0.871378 0.805955 1.001847 11.00000 0.03759 0.03390 = 0.03936 0.00634 0.01282 0.00831 AFIX 43 H303 2 0.912562 0.865418 1.020020 11.00000 -1.20000 AFIX 0 C304 1 0.770035 0.783491 0.992944 11.00000 0.04016 0.03465 = 0.03933 0.00770 0.01381 0.01067 AFIX 43 H304 2 0.729358 0.824807 1.004800 11.00000 -1.20000 AFIX 0 C305 1 0.736738 0.685308 0.962181 11.00000 0.03796 0.03402 = 0.03472 0.00975 0.01454 0.01146 C306 1 0.636324 0.635183 0.943314 11.00000 0.03548 0.03465 = 0.03517 0.01127 0.01518 0.01045 C307 1 0.561545 0.683854 0.967305 11.00000 0.03667 0.03054 = 0.04178 0.01022 0.01792 0.00791 C308 1 0.571440 0.700489 1.032257 11.00000 0.05326 0.04071 = 0.04135 0.01462 0.02206 0.01628 AFIX 43 H308 2 0.625809 0.683182 1.060201 11.00000 -1.20000 AFIX 0 C309 1 0.501292 0.742492 1.055735 11.00000 0.06508 0.04120 = 0.04785 0.01556 0.03265 0.01724 AFIX 43 H309 2 0.509320 0.753599 1.099220 11.00000 -1.20000 AFIX 0 C310 1 0.419539 0.767898 1.014780 11.00000 0.05242 0.03866 = 0.06400 0.01348 0.03654 0.01476 AFIX 43 H310 2 0.371425 0.794208 1.030384 11.00000 -1.20000 AFIX 0 C311 1 0.409599 0.753999 0.950411 11.00000 0.03703 0.03598 = 0.05730 0.01097 0.01849 0.01132 AFIX 43 H311 2 0.355578 0.772182 0.922775 11.00000 -1.20000 AFIX 0 C312 1 0.480518 0.712852 0.927302 11.00000 0.03538 0.03049 = 0.04114 0.00881 0.01472 0.00542 C314 1 0.538255 0.753765 0.843642 11.00000 0.04174 0.03731 = 0.03876 0.01061 0.01344 0.01337 C402 1 0.601852 0.542092 0.905019 11.00000 0.03550 0.03606 = 0.03505 0.01317 0.01429 0.01117 C403 1 0.497173 0.492316 0.883877 11.00000 0.03339 0.03618 = 0.04118 0.01281 0.01690 0.01051 AFIX 43 H403 2 0.442752 0.514502 0.894235 11.00000 -1.20000 AFIX 0 C404 1 0.493880 0.407831 0.846382 11.00000 0.03295 0.03474 = 0.03814 0.01234 0.01393 0.00699 AFIX 43 H404 2 0.436417 0.360556 0.825605 11.00000 -1.20000 AFIX 0 C405 1 0.596774 0.403981 0.844296 11.00000 0.03327 0.03506 = 0.03380 0.01174 0.01263 0.00780 C406 1 0.624800 0.326288 0.810698 11.00000 0.03360 0.03383 = 0.03161 0.01127 0.01144 0.00770 C407 1 0.545197 0.238567 0.777055 11.00000 0.03627 0.03290 = 0.03474 0.00778 0.01710 0.00956 C408 1 0.554802 0.158687 0.801533 11.00000 0.04167 0.03536 = 0.03570 0.00916 0.01572 0.01221 AFIX 43 H408 2 0.610308 0.161537 0.837349 11.00000 -1.20000 AFIX 0 C409 1 0.484112 0.075642 0.773984 11.00000 0.05304 0.03371 = 0.04592 0.01132 0.02225 0.01189 AFIX 43 H409 2 0.491765 0.023499 0.791277 11.00000 -1.20000 AFIX 0 C410 1 0.402049 0.070797 0.720568 11.00000 0.04796 0.03414 = 0.05017 0.00445 0.01723 0.00283 AFIX 43 H410 2 0.354011 0.015163 0.701963 11.00000 -1.20000 AFIX 0 C411 1 0.390578 0.147966 0.694432 11.00000 0.04265 0.03857 = 0.04080 0.00633 0.00976 0.00522 AFIX 43 H411 2 0.335536 0.143950 0.658089 11.00000 -1.20000 AFIX 0 C412 1 0.462144 0.232143 0.722898 11.00000 0.03783 0.03480 = 0.03433 0.00820 0.01433 0.00828 C414 1 0.360238 0.333785 0.667878 11.00000 0.04161 0.03935 = 0.03158 0.00782 0.01447 0.00959 C501 1 0.316135 0.996008 0.874389 11.00000 0.06772 0.07983 = 0.05408 0.01812 0.01427 0.02123 AFIX 137 H50A 2 0.307221 0.986229 0.829492 11.00000 -1.50000 H50B 2 0.303961 1.057630 0.890405 11.00000 -1.50000 H50C 2 0.268683 0.948998 0.880702 11.00000 -1.50000 AFIX 0 C502 1 0.424608 0.988358 0.910105 11.00000 0.05603 0.04877 = 0.04950 0.01337 0.02159 0.01050 AFIX 23 H50D 2 0.472099 1.034318 0.902052 11.00000 -1.20000 H50E 2 0.436424 0.926080 0.893469 11.00000 -1.20000 AFIX 0 C503 1 0.446298 1.004637 0.982126 11.00000 0.04948 0.03899 = 0.04740 0.01148 0.02105 0.01182 AFIX 23 H50F 2 0.435619 1.067350 0.998834 11.00000 -1.20000 H50G 2 0.397917 0.959440 0.990101 11.00000 -1.20000 AFIX 0 HKLF 4 REM 19cmt4391_a.res in P-1 REM wR2 = 0.1461, GooF = S = 1.036, Restrained GooF = 1.035 for all data REM R1 = 0.0492 for 13675 Fo > 4sig(Fo) and 0.0743 for all 19307 data REM 1767 parameters refined using 95 restraints END WGHT 0.0746 1.1899 REM Highest difference peak 0.482, deepest hole -0.425, 1-sigma level 0.057 Q1 1 1.2649 0.6420 0.7065 11.00000 0.05 0.48 Q2 1 1.1988 0.7006 0.8036 11.00000 0.05 0.47 Q3 1 1.0613 0.9992 0.9048 11.00000 0.05 0.46 Q4 1 1.1170 0.6026 0.4914 11.00000 0.05 0.45 Q5 1 0.9006 0.8653 0.5727 11.00000 0.05 0.42 Q6 1 1.1334 0.7566 0.6928 11.00000 0.05 0.37 Q7 1 0.5812 0.2807 0.7918 11.00000 0.05 0.32 Q8 1 1.1579 0.5737 0.5706 11.00000 0.05 0.31 Q9 1 0.9819 0.6105 0.4986 11.00000 0.05 0.30 Q10 1 0.7199 0.5060 0.8894 11.00000 0.05 0.29 Q11 1 0.4243 0.1920 0.7076 11.00000 0.05 0.29 Q12 1 1.1037 0.6767 0.6472 11.00000 0.05 0.29 Q13 1 0.6255 0.5893 0.9264 11.00000 0.05 0.29 Q14 1 1.2180 0.7349 0.5996 11.00000 0.05 0.28 Q15 1 1.0590 0.6181 0.7489 11.00000 0.05 0.27 Q16 1 1.1611 0.6253 0.7663 11.00000 0.05 0.27 Q17 1 0.6817 0.6584 0.9497 11.00000 0.05 0.27 Q18 1 1.0032 0.6028 0.6176 11.00000 0.05 0.27 Q19 1 1.0448 0.7527 1.0037 11.00000 0.05 0.27 Q20 1 0.7375 0.8690 0.5890 11.00000 0.05 0.26 ; _shelx_res_checksum 54313 _shelx_hkl_file ; 0 0 -1 4833.64 103.84 0 0 1 4097.86 88.04 0 0 -2 395.32 55.81 0 0 2 389.43 55.03 0 0 -2 393.36 12.42 0 0 -2 377.87 8.25 0 0 -2 362.23 7.94 0 0 2 368.12 8.10 0 0 2 378.34 8.33 0 0 -3 566.69 80.02 0 0 3 553.01 78.14 0 0 -3 506.40 16.04 0 0 -3 524.63 11.48 0 0 -3 510.64 11.24 0 0 3 514.41 11.32 0 0 3 538.55 11.79 0 0 -4 665.03 93.94 0 0 -4 595.14 18.87 0 0 -4 613.54 13.52 0 0 -4 605.99 13.28 0 0 4 607.33 13.36 0 0 4 620.22 13.68 0 0 -5 638.46 90.24 0 0 5 915.00 129.31 0 0 -5 546.80 17.37 0 0 5 549.08 17.45 0 0 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19 1.73 5.35 0 5 -19 0.39 0.86 0 -5 19 -0.79 1.34 0 5 -19 0.86 1.41 0 -5 18 841.90 119.72 0 5 -18 416.78 13.84 0 -5 18 395.87 9.83 0 5 -18 421.11 10.38 0 5 -18 403.10 9.98 0 5 -16 465.68 15.41 0 5 -16 452.23 11.01 0 -5 15 41.98 11.87 0 5 -15 24.68 1.73 0 -5 15 25.08 2.04 0 5 -15 28.06 2.04 0 -5 14 -1.57 10.85 0 5 -14 21.62 1.65 0 -5 14 21.62 1.97 0 5 -14 18.79 1.89 0 -5 13 101.48 19.65 0 5 -13 114.30 4.32 0 -5 13 121.45 3.93 0 5 -13 111.00 3.62 0 5 -12 23.82 1.65 0 -5 12 24.37 1.97 0 5 -12 28.77 1.97 0 -5 11 -11.40 12.73 0 5 -11 3.07 1.26 0 -5 11 2.20 1.57 0 5 -11 2.75 1.41 0 -5 10 235.51 34.90 0 5 -10 131.67 4.87 0 -5 9 2.67 7.94 0 5 -9 15.33 1.57 0 -5 9 12.58 1.73 0 5 -9 9.43 1.65 0 5 -8 435.96 14.39 0 5 -8 434.00 10.22 0 -5 7 385.81 54.79 0 5 -7 299.58 10.14 0 -5 7 293.45 7.23 0 5 -7 278.98 6.92 0 -5 6 -1.18 1.97 0 5 -6 1.26 1.49 0 -5 6 1.02 1.41 0 5 -6 0.79 1.41 0 -5 5 31.99 5.11 0 5 -5 32.86 2.12 0 -5 5 31.05 1.89 0 5 -5 30.97 1.81 0 -5 4 144.40 20.67 0 5 -4 131.04 4.95 0 -5 4 128.92 3.62 0 5 -4 127.82 3.54 0 -5 3 2.99 1.57 0 5 -3 1.18 1.49 0 -5 3 0.08 1.26 0 5 -3 2.67 1.18 0 -5 2 244.39 34.74 0 5 -2 250.37 8.57 0 -5 2 251.15 6.05 0 5 -2 237.40 5.74 0 -5 1 37.89 5.74 0 5 -1 40.25 2.28 0 -5 1 35.61 1.57 0 5 -1 38.52 1.65 0 -5 0 177.26 25.23 0 5 0 190.23 6.68 0 -5 0 182.37 4.48 0 5 0 179.54 4.32 0 5 0 182.92 4.48 0 5 1 572.82 81.05 0 5 1 611.57 19.81 0 -5 -1 606.70 13.44 0 -5 -1 610.63 13.52 0 5 1 600.80 13.28 0 5 1 607.33 13.44 0 5 2 9.67 2.04 0 5 2 7.39 1.41 0 -5 -2 6.29 0.86 0 -5 -2 5.19 0.71 0 5 2 5.58 0.71 0 5 2 4.72 0.86 0 5 3 295.96 42.21 0 5 3 267.35 8.96 0 -5 -3 268.21 6.13 0 -5 -3 270.73 6.21 0 5 3 262.47 5.97 0 5 3 264.83 6.05 0 5 4 1247.52 176.32 0 5 4 1190.92 37.97 0 -5 -4 1234.15 26.88 0 -5 -4 1178.34 25.70 0 5 4 1175.20 25.63 0 5 4 1223.93 26.65 0 5 5 20.99 5.27 0 5 5 23.19 1.57 0 -5 -5 19.81 0.86 0 -5 -5 20.60 1.02 0 5 5 21.70 0.94 0 5 5 19.89 1.02 0 5 6 221.52 31.60 0 5 6 234.33 7.86 0 5 6 227.34 5.35 0 5 6 225.61 5.27 0 5 7 -0.08 1.02 0 -5 -7 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-11 13 145.98 4.64 0 11 -13 141.26 4.48 0 -11 12 12.89 2.59 0 11 -12 16.35 1.89 0 -11 12 13.68 1.89 0 11 -12 11.95 1.73 0 -11 11 5.74 1.89 0 11 -11 7.47 1.73 0 -11 11 6.13 1.57 0 11 -11 7.55 1.57 0 -11 10 26.26 4.32 0 11 -10 32.39 2.44 0 -11 10 32.23 1.81 0 -11 10 27.83 2.04 0 11 -10 28.61 2.12 0 -11 9 37.02 5.82 0 11 -9 39.93 2.67 0 -11 9 40.96 1.97 0 -11 9 37.26 2.28 0 11 -9 38.44 2.28 0 -11 8 8.41 2.20 0 11 -8 9.67 1.81 0 -11 8 6.60 1.65 0 11 -8 6.84 1.57 0 -11 7 93.54 13.68 0 11 -7 87.96 4.09 0 -11 7 90.40 3.22 0 11 -7 94.96 3.38 0 -11 6 7.55 2.12 0 11 -6 7.70 1.81 0 -11 6 8.02 1.41 0 -11 5 28.06 4.64 0 11 -5 23.90 2.20 0 -11 5 25.00 1.89 0 11 -5 27.20 1.89 0 -11 4 40.88 6.37 0 11 -4 40.25 2.67 0 11 -4 40.17 2.12 0 -11 3 100.54 14.62 0 11 -3 105.73 4.56 0 -11 3 108.56 3.54 0 11 -3 106.67 3.46 0 11 -2 199.59 28.53 0 11 -2 207.92 7.70 0 -11 2 211.14 5.66 0 11 -2 213.42 5.66 0 11 -1 0.86 1.49 0 11 -1 -0.63 1.57 0 11 0 0.71 1.41 0 11 0 1.57 1.57 0 -11 0 -1.41 1.10 0 11 1 10.38 2.28 0 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1.41 -2 -6 26 12.03 1.73 2 6 -26 10.77 1.57 2 6 -26 14.31 1.34 -2 -6 25 -1.89 4.56 2 6 -25 12.97 1.41 -2 -6 25 12.58 1.73 2 6 -25 13.52 1.65 2 6 -25 13.76 1.34 -2 -6 24 -1.49 4.32 2 6 -24 -0.31 0.94 -2 -6 24 -1.81 1.49 2 6 -24 0.47 1.34 -2 -6 23 -2.75 4.64 2 6 -23 1.18 1.10 -2 -6 23 2.67 1.49 2 6 -23 -0.63 1.49 2 6 -22 32.94 2.12 -2 -6 22 29.32 2.28 -2 -6 22 31.13 2.04 2 6 -22 32.39 2.20 -2 -6 21 0.79 5.42 2 6 -21 0.08 1.02 -2 -6 20 -5.35 5.66 2 6 -20 1.49 1.10 -2 -6 20 2.99 1.57 2 6 -20 0.94 1.41 2 6 -19 66.58 3.14 2 6 -19 70.12 2.99 -2 -6 18 27.91 7.39 2 6 -18 22.72 1.81 -2 -6 18 18.32 1.97 2 6 -18 25.15 2.04 2 6 -17 310.74 10.69 2 6 -17 313.49 8.10 2 6 -17 307.36 7.94 2 6 -16 363.96 12.34 2 6 -16 366.63 9.20 -2 -6 15 54.87 8.33 2 6 -15 38.91 2.44 -2 -6 15 42.21 2.36 2 6 -15 41.27 2.36 -2 -6 14 61.31 9.12 2 6 -14 58.01 2.91 -2 -6 14 59.51 2.67 2 6 -14 57.23 2.59 2 6 -13 83.95 3.62 -2 -6 13 77.51 3.07 2 6 -13 78.29 2.99 -2 -6 12 12.81 3.07 2 6 -12 9.90 1.65 -2 -6 12 14.78 1.81 2 6 -12 11.16 1.65 -2 -6 11 19.34 4.40 -2 -6 11 9.59 1.65 2 6 -11 11.48 1.65 -2 -6 10 601.20 85.29 -2 -6 10 355.15 8.73 2 6 -10 352.64 8.65 -2 -6 9 4.56 1.97 -2 -6 9 3.07 1.49 2 6 -9 3.14 1.41 -2 -6 8 10.69 2.28 2 6 -8 10.22 1.65 -2 -6 7 28.85 4.56 2 6 -7 31.44 2.12 -2 -6 7 29.32 1.81 2 6 -7 34.27 1.97 -2 -6 6 134.34 19.26 2 6 -6 138.90 5.27 -2 -6 6 138.04 3.93 2 6 -6 143.30 4.09 -2 -6 5 92.13 13.28 2 6 -5 93.23 3.85 -2 -6 5 101.33 3.14 2 6 -5 101.33 3.22 -2 -6 4 26.81 4.32 2 6 -4 26.26 1.97 -2 -6 4 28.61 1.73 2 6 -4 29.09 1.73 2 6 -3 257.84 36.63 2 6 -3 266.09 9.12 -2 -6 3 266.17 6.52 2 6 -3 269.71 6.60 2 6 -2 940.94 133.01 2 6 -2 1007.76 32.39 -2 -6 2 1050.21 23.27 2 6 -2 1021.91 22.64 2 6 -1 1744.32 246.36 2 6 -1 1885.82 60.06 -2 -6 1 1914.12 41.82 2 6 -1 1943.99 42.45 2 6 0 369.07 52.51 2 6 0 304.61 10.30 -2 -6 0 298.63 7.15 2 6 0 308.46 7.39 2 6 1 1.18 1.18 -2 -6 -1 0.94 1.02 2 6 1 0.00 1.02 2 6 2 36.00 2.04 -2 -6 -2 37.73 1.81 2 6 2 34.74 1.73 2 6 3 40.72 7.47 2 6 3 38.83 2.12 -2 -6 -3 38.83 1.81 2 6 3 36.63 1.73 2 6 4 9.83 2.91 2 6 4 6.84 1.26 -2 -6 -4 7.31 1.10 2 6 5 56.52 8.41 2 6 5 59.90 2.67 -2 -6 -5 64.69 2.36 2 6 5 63.99 2.28 2 6 6 34.90 5.42 2 6 6 35.06 1.89 2 6 6 35.22 1.65 2 6 7 30.89 4.87 2 6 7 28.69 1.65 -2 -6 -7 24.13 1.49 2 6 7 27.20 1.49 2 6 8 1.02 1.41 2 6 8 0.31 0.86 -2 -6 -8 1.41 0.94 2 6 8 1.18 0.86 2 6 9 2.20 1.26 2 6 9 1.65 0.86 -2 -6 -9 3.14 0.94 2 6 9 1.34 0.94 2 6 10 32.94 5.19 2 6 10 39.23 1.89 -2 -6 -10 41.43 1.89 2 6 10 40.17 1.89 2 6 11 219.95 31.44 2 6 11 213.19 7.15 -2 -6 -11 213.58 5.66 2 6 11 209.73 5.50 2 6 12 0.16 1.18 2 6 12 0.79 0.63 2 6 12 0.55 0.63 2 6 13 2.04 1.34 2 6 13 3.07 0.55 2 6 13 2.44 0.55 2 6 13 1.97 1.18 2 6 14 2.12 1.26 -2 -6 -14 -1.18 1.02 2 6 14 1.97 1.18 -2 -6 -15 0.16 1.02 -2 -6 -15 0.55 1.10 2 6 15 2.59 1.18 -2 -6 -16 2.12 1.41 2 6 16 2.59 1.41 -2 -6 -16 1.65 1.10 2 6 16 3.69 1.18 2 6 17 0.86 1.18 -2 -6 -17 0.94 1.02 2 6 17 -0.24 1.18 2 6 18 0.71 1.18 -2 -6 -18 1.34 1.10 2 6 18 -2.28 1.18 2 6 19 0.00 1.26 -2 -6 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78.29 2.59 2 7 2 94.33 14.31 2 7 2 80.26 3.46 -2 -7 -2 81.12 2.67 2 7 2 70.98 2.52 2 7 3 11.40 4.87 2 7 3 7.86 1.41 -2 -7 -3 6.76 1.26 2 7 3 9.12 1.18 2 7 4 56.76 9.75 2 7 4 34.51 1.73 2 7 5 22.09 3.77 2 7 5 20.36 1.65 -2 -7 -5 21.30 1.49 2 7 5 24.84 1.49 2 7 6 14.39 2.75 2 7 6 12.89 1.34 -2 -7 -6 11.63 1.18 2 7 6 12.18 1.18 2 7 7 3.54 1.57 2 7 7 4.72 1.10 -2 -7 -7 6.37 1.10 2 7 7 5.50 1.02 2 7 8 1.26 1.34 2 7 8 -2.20 0.94 -2 -7 -8 0.24 0.86 2 7 8 -0.47 0.86 2 7 9 21.77 3.69 2 7 9 18.24 1.41 -2 -7 -9 20.12 1.41 2 7 9 19.49 1.41 2 7 10 108.56 15.80 2 7 10 112.72 4.24 -2 -7 -10 114.14 3.46 2 7 10 122.63 3.62 2 7 11 13.60 2.67 2 7 11 15.41 1.34 -2 -7 -11 14.78 1.34 2 7 11 13.99 1.26 2 7 12 24.13 4.09 2 7 12 22.72 1.41 2 7 12 23.82 1.41 2 7 13 25.23 1.41 2 7 13 21.77 1.26 2 7 14 2.28 0.55 2 7 14 1.57 0.55 -2 -7 -14 2.36 1.10 2 7 14 3.85 1.10 2 7 15 0.94 1.18 -2 -7 -15 0.86 1.02 2 7 15 0.39 1.10 2 7 16 10.93 2.44 -2 -7 -16 12.89 1.41 2 7 16 12.11 1.49 2 7 17 1.34 1.34 -2 -7 -17 -0.24 0.94 2 7 17 0.47 1.10 2 7 18 20.44 3.62 -2 -7 -18 17.92 1.57 2 7 18 17.53 1.65 -2 -7 -19 13.05 2.52 2 7 19 10.85 2.28 -2 -7 -19 10.69 1.41 -2 -7 -20 -0.63 0.94 2 7 20 0.24 1.10 -2 -8 28 0.79 1.57 -2 -8 27 18.63 3.54 -2 -8 26 1.65 1.73 2 8 -26 0.71 1.18 -2 -8 26 0.86 0.94 2 8 -26 2.28 1.41 2 8 -26 2.44 0.86 -2 -8 25 3.14 1.81 2 8 -25 3.38 1.26 -2 -8 25 2.52 0.94 -2 -8 25 2.04 1.49 2 8 -25 2.67 0.94 -2 -8 23 3.62 1.97 2 8 -23 3.14 1.18 -2 -8 23 4.01 1.57 -2 -8 23 3.14 1.02 2 8 -23 4.01 0.94 2 8 -23 3.93 1.49 -2 -8 22 1.26 1.81 2 8 -22 2.99 1.10 -2 -8 22 2.52 0.94 -2 -8 22 1.41 1.57 2 8 -22 2.44 0.86 2 8 -22 4.80 1.49 -2 -8 21 3.07 1.89 2 8 -21 5.50 1.26 -2 -8 21 2.36 1.57 2 8 -21 4.24 1.49 -2 -8 20 19.42 3.62 2 8 -20 15.88 1.73 -2 -8 20 18.94 2.04 -2 -8 20 13.68 1.57 2 8 -20 17.14 1.89 2 8 -20 15.33 1.49 -2 -8 19 45.59 7.07 2 8 -19 47.40 2.75 -2 -8 18 1.65 1.73 2 8 -18 0.79 1.41 -2 -8 18 -0.86 1.65 2 8 -18 1.34 1.41 -2 -8 17 9.83 2.44 2 8 -17 13.44 1.73 -2 -8 17 7.94 1.81 2 8 -17 11.79 1.73 -2 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1.49 2 8 -2 0.31 1.34 -2 -8 2 1.97 1.10 2 8 -2 2.67 1.10 2 8 -1 347.69 49.37 2 8 -1 373.23 12.66 -2 -8 1 360.26 8.65 2 8 -1 374.73 8.96 2 8 0 0.24 3.14 2 8 0 8.96 1.57 -2 -8 0 10.14 1.34 2 8 0 10.38 1.34 2 8 1 219.55 31.60 2 8 1 210.51 7.55 -2 -8 -1 201.79 5.27 2 8 1 206.27 5.35 2 8 2 17.22 5.27 2 8 2 13.52 1.65 -2 -8 -2 13.13 1.57 2 8 2 16.82 1.41 2 8 3 52.20 9.04 2 8 3 33.17 2.28 -2 -8 -3 40.33 1.97 2 8 3 38.52 1.81 2 8 4 14.78 5.19 2 8 4 13.21 1.89 -2 -8 -4 19.49 1.41 2 8 4 18.47 1.41 2 8 5 102.03 14.94 -2 -8 -5 109.97 3.30 2 8 5 112.57 3.30 2 8 6 0.24 1.34 -2 -8 -6 -1.02 0.86 2 8 6 0.24 0.94 2 8 7 62.10 9.20 -2 -8 -7 67.21 2.44 2 8 7 66.97 2.36 2 8 8 11.16 2.44 2 8 8 9.51 1.41 -2 -8 -8 10.30 1.18 2 8 8 8.33 1.10 2 8 9 5.03 1.65 2 8 9 3.69 1.02 -2 -8 -9 2.52 0.94 2 8 9 0.47 0.86 2 8 10 7.31 1.81 2 8 10 7.70 1.18 -2 -8 -10 6.76 1.10 2 8 10 6.76 1.02 2 8 11 9.75 2.12 2 8 11 13.28 1.26 -2 -8 -11 13.13 1.34 2 8 11 11.79 1.26 2 8 12 4.64 0.86 2 8 12 7.00 1.02 -2 -8 -13 3.93 1.41 2 8 13 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2 10 -13 22.40 1.97 -2 -10 12 24.13 4.32 2 10 -12 24.84 2.20 -2 -10 12 22.09 1.89 2 10 -12 20.83 1.89 -2 -10 11 54.08 8.25 2 10 -11 53.61 3.07 -2 -10 11 51.33 2.52 -2 -10 11 51.25 2.28 2 10 -11 54.79 2.67 -2 -10 10 103.61 15.09 2 10 -10 101.64 4.48 -2 -10 10 99.28 3.46 2 10 -10 97.00 3.46 -2 -10 9 4.09 1.97 2 10 -9 7.47 1.81 -2 -10 9 7.55 1.41 2 10 -9 6.21 1.57 -2 -10 8 0.79 1.73 2 10 -8 4.56 1.65 -2 -10 8 3.93 1.34 2 10 -8 2.83 1.41 -2 -10 7 4.72 1.81 2 10 -7 4.72 1.65 -2 -10 7 2.59 1.41 2 10 -7 4.48 1.41 -2 -10 6 3.38 1.73 2 10 -6 4.24 1.65 -2 -10 6 7.39 1.49 2 10 -6 6.45 1.41 2 10 -5 9.35 2.20 2 10 -5 10.61 1.81 -2 -10 5 7.39 1.49 2 10 -5 6.60 1.34 2 10 -4 106.04 15.41 2 10 -4 101.33 4.40 -2 -10 4 105.96 3.54 2 10 -4 101.48 3.38 2 10 -3 29.71 4.80 2 10 -3 32.62 2.28 -2 -10 3 32.15 1.97 2 10 -3 27.04 1.81 2 10 -2 21.85 3.77 2 10 -2 22.17 2.12 -2 -10 2 17.61 1.81 2 10 -2 25.70 1.73 2 10 -1 1.49 1.65 2 10 -1 0.94 1.41 -2 -10 1 0.47 1.18 2 10 -1 3.77 1.26 2 10 0 4.48 4.40 2 10 0 4.17 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16 4.17 1.57 2 11 -16 0.86 1.41 -2 -11 15 1.81 2.12 2 11 -15 4.48 1.57 -2 -11 15 3.93 1.02 2 11 -15 4.40 1.18 -2 -11 14 18.87 3.77 2 11 -14 25.15 2.20 -2 -11 14 21.07 1.89 2 11 -14 24.05 2.04 -2 -11 13 -1.57 2.04 2 11 -13 0.79 1.49 -2 -11 13 1.73 1.41 2 11 -13 1.65 1.57 -2 -11 12 15.56 3.07 2 11 -12 10.53 1.81 -2 -11 12 11.01 1.65 2 11 -12 12.42 1.73 -2 -11 11 0.79 1.73 2 11 -11 -0.71 1.49 -2 -11 11 0.79 1.34 2 11 -11 1.65 1.41 -2 -11 10 60.92 9.20 2 11 -10 57.23 3.14 -2 -11 10 57.93 2.67 2 11 -10 60.06 2.75 -2 -11 9 35.06 5.58 2 11 -9 37.73 2.59 -2 -11 9 39.30 1.97 -2 -11 9 37.10 2.20 2 11 -9 34.51 2.20 -2 -11 8 27.91 4.56 2 11 -8 32.78 2.44 -2 -11 8 31.13 2.12 2 11 -8 35.45 2.20 -2 -11 7 7.31 1.97 2 11 -7 9.83 1.81 -2 -11 7 10.61 1.65 2 11 -7 8.18 1.57 2 11 -6 62.73 9.28 2 11 -6 59.11 3.14 -2 -11 6 66.35 2.83 2 11 -6 56.60 2.99 2 11 -5 168.30 24.13 2 11 -5 179.54 6.84 -2 -11 5 190.00 5.35 2 11 -5 180.09 5.11 2 11 -4 6.76 2.04 2 11 -4 2.91 1.49 2 11 -4 5.19 1.34 2 11 -3 23.11 3.93 2 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86.23 3.38 -2 -12 14 -0.24 1.89 -2 -12 14 1.41 1.34 2 12 -14 0.31 1.41 -2 -12 13 14.07 3.14 -2 -12 13 21.22 1.81 -2 -12 12 28.06 4.72 -2 -12 12 22.72 1.97 2 12 -12 18.79 2.36 -2 -12 12 22.56 1.97 -2 -12 12 27.75 1.81 2 12 -12 30.19 2.20 -2 -12 11 3.85 1.97 2 12 -11 4.09 1.65 -2 -12 11 5.03 1.49 2 12 -11 4.24 1.57 -2 -12 10 12.11 2.59 2 12 -10 15.96 1.97 -2 -12 10 13.13 1.65 2 12 -10 12.03 1.73 -2 -12 9 23.50 4.01 2 12 -9 22.17 2.12 -2 -12 9 20.75 1.89 2 12 -9 22.88 1.97 -2 -12 8 4.09 1.73 2 12 -8 4.95 1.65 -2 -12 8 3.85 1.41 2 12 -7 379.29 13.13 -2 -12 7 384.87 9.59 2 12 -7 380.78 9.51 2 12 -6 64.69 9.59 2 12 -6 64.54 3.38 2 12 -6 65.64 2.83 2 12 -5 60.61 9.04 2 12 -5 58.96 3.22 -2 -12 5 58.56 2.67 2 12 -5 56.83 2.59 2 12 -4 28.46 4.56 2 12 -4 33.17 2.36 -2 -12 4 33.41 2.04 2 12 -4 34.27 2.04 2 12 -3 5.74 1.81 2 12 -3 3.14 1.57 -2 -12 3 4.32 1.26 2 12 -3 5.03 1.34 2 12 -2 62.34 9.28 2 12 -2 66.74 3.46 -2 -12 2 60.61 2.59 2 12 -2 62.73 2.67 2 12 -1 26.73 5.03 2 12 -1 23.03 2.20 -2 -12 1 27.20 1.81 2 12 -1 25.55 1.81 2 12 0 4.24 4.32 -2 -12 0 7.31 1.34 2 12 0 7.23 1.26 2 12 1 7.70 1.73 -2 -12 -1 7.86 1.41 2 12 1 9.83 1.34 2 12 2 4.09 1.41 2 12 2 -0.16 5.03 2 12 2 4.95 1.57 -2 -12 -2 0.86 1.18 2 12 2 4.09 1.10 2 12 3 7.23 4.72 2 12 3 7.23 1.65 -2 -12 -3 8.57 1.34 2 12 3 10.61 1.26 2 12 4 133.24 19.81 2 12 4 160.52 23.19 2 12 4 132.06 5.42 -2 -12 -4 134.58 4.01 2 12 4 132.69 4.01 2 12 5 44.96 2.75 -2 -12 -5 44.96 2.12 2 12 5 44.73 2.12 2 12 6 22.72 3.85 2 12 6 22.09 3.85 2 12 6 17.84 1.81 -2 -12 -6 17.92 1.49 2 12 6 19.34 1.49 2 12 7 10.61 2.28 2 12 7 10.38 1.57 -2 -12 -7 9.43 1.26 2 12 7 11.08 1.18 2 12 8 2.67 1.41 2 12 8 2.99 1.26 2 12 8 1.10 0.86 2 12 8 2.67 0.94 2 12 9 -0.79 0.94 2 12 9 0.08 1.26 2 12 9 -0.16 1.18 2 12 9 0.00 0.86 2 12 10 0.31 1.34 2 12 10 3.30 1.26 2 12 10 3.30 1.02 2 12 11 -0.39 1.26 2 12 11 -0.55 1.02 -2 -12 -11 -0.86 0.71 2 12 12 2.12 1.34 2 12 12 2.67 1.65 2 12 12 3.38 1.18 2 13 -26 1.26 1.02 2 13 -26 2.04 1.34 -2 -13 25 4.95 1.97 2 13 -25 2.75 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4 6 -21 32.78 2.28 -4 -6 20 2.52 1.65 4 6 -20 2.67 1.41 -4 -6 20 -1.89 1.41 4 6 -20 1.73 1.49 -4 -6 19 55.18 8.25 4 6 -19 60.45 2.99 -4 -6 19 61.31 2.75 4 6 -19 59.74 2.75 -4 -6 18 37.50 5.82 4 6 -18 34.98 2.36 -4 -6 18 39.38 2.28 4 6 -18 42.68 2.44 -4 -6 17 190.55 27.20 4 6 -17 200.92 7.39 -4 -6 17 178.21 5.19 4 6 -17 193.53 5.50 4 6 -16 14.39 1.73 -4 -6 16 13.84 1.65 4 6 -16 12.89 1.73 4 6 -16 13.84 1.34 -4 -6 15 20.83 3.62 4 6 -15 20.75 1.89 -4 -6 15 23.11 1.89 4 6 -15 20.36 1.89 -4 -6 14 58.48 8.65 4 6 -14 65.32 3.14 -4 -6 14 61.08 2.67 4 6 -14 63.75 2.75 -4 -6 13 1.18 1.65 4 6 -13 2.52 1.41 -4 -6 13 0.86 1.34 4 6 -13 -1.41 1.34 -4 -6 12 83.09 12.11 4 6 -12 80.57 3.62 -4 -6 12 76.64 2.99 4 6 -12 81.12 3.07 -4 -6 11 4.40 1.89 4 6 -11 2.91 1.49 -4 -6 11 2.20 1.41 4 6 -11 6.13 1.57 -4 -6 10 3.46 1.41 4 6 -10 5.19 1.49 -4 -6 10 3.07 1.34 4 6 -10 2.99 1.41 -4 -6 9 2.91 1.41 4 6 -9 0.86 1.49 -4 -6 9 3.46 1.34 4 6 -9 2.91 1.41 -4 -6 8 0.47 1.26 4 6 -8 -2.28 1.41 -4 -6 8 -0.16 1.34 4 6 -8 0.00 1.26 4 6 -7 2.75 1.34 4 6 -7 1.81 1.73 -4 -6 7 1.34 1.34 4 6 -7 4.80 1.34 4 6 -6 62.65 9.12 4 6 -6 68.07 3.30 -4 -6 6 66.19 2.75 4 6 -6 62.57 2.59 4 6 -5 193.30 27.51 4 6 -5 212.16 7.63 -4 -6 2 9.67 1.41 4 6 -2 10.06 1.49 4 6 -1 3.93 4.40 -4 -6 1 5.50 1.49 4 6 -1 4.32 1.34 4 6 0 112.02 16.74 4 6 0 86.47 3.69 -4 -6 0 90.01 3.07 4 6 0 94.64 3.14 4 6 1 17.14 3.07 4 6 1 18.94 1.73 -4 -6 -1 16.82 1.65 4 6 1 17.84 1.65 4 6 2 4.95 1.65 4 6 2 4.80 1.34 -4 -6 -2 2.36 1.41 4 6 3 216.49 30.89 4 6 4 16.19 2.99 4 6 4 18.55 1.57 4 6 5 33.09 5.19 4 6 5 23.98 1.73 4 6 6 3.22 1.34 4 6 6 4.01 1.02 -4 -6 -6 5.11 1.26 4 6 6 2.83 1.10 4 6 7 11.24 2.36 4 6 7 8.88 1.18 -4 -6 -7 11.95 1.41 4 6 7 10.53 1.34 4 6 8 0.79 1.26 4 6 8 -0.16 0.86 -4 -6 -8 1.41 1.18 4 6 8 -0.71 1.10 4 6 9 229.38 32.78 4 6 9 239.76 8.18 -4 -6 -9 236.53 6.29 4 6 9 232.21 6.21 4 6 10 156.51 22.56 4 6 10 172.23 6.05 -4 -6 -10 166.73 4.87 4 6 10 162.17 4.72 4 6 11 4.87 1.73 4 6 11 3.14 0.79 -4 -6 -11 3.85 1.10 4 6 11 1.18 1.10 4 6 12 30.58 4.95 4 6 12 28.30 1.41 -4 -6 -12 27.51 1.89 4 6 12 27.43 1.89 -4 -6 -13 34.59 6.21 4 6 13 30.89 4.95 4 6 13 27.04 1.26 4 6 13 26.18 1.18 -4 -6 -13 29.01 1.97 4 6 13 26.96 1.89 -4 -6 -14 1.26 2.59 4 6 14 -0.16 1.18 -4 -6 -14 -1.10 1.10 4 6 14 0.86 1.18 -4 -6 -15 -2.83 2.67 4 6 15 1.10 1.26 -4 -6 -15 3.85 1.26 4 6 15 0.86 1.18 -4 -6 -16 4.17 2.75 -4 -6 -16 5.19 1.34 4 6 16 4.48 1.34 -4 -6 -17 -0.24 2.59 4 6 17 -0.47 1.10 -4 -6 -17 -0.24 1.10 4 6 17 -0.39 1.26 -4 -6 -18 12.81 3.62 4 6 18 1.02 1.18 -4 -6 -18 11.16 1.41 4 6 18 8.18 1.57 -4 -6 -19 3.69 1.57 -4 -6 -19 5.82 1.34 4 6 19 6.13 1.49 -4 -7 27 10.69 2.59 4 7 -27 11.95 1.65 -4 -7 27 10.38 1.49 -4 -7 27 10.06 1.34 4 7 -27 10.77 1.26 4 7 -27 9.12 1.49 -4 -7 26 1.18 1.65 4 7 -26 2.04 1.26 -4 -7 26 -0.63 1.02 -4 -7 26 -0.24 0.86 4 7 -26 1.41 0.86 4 7 -26 -0.79 1.26 -4 -7 25 7.15 2.12 4 7 -25 5.97 1.41 -4 -7 25 4.95 1.26 4 7 -25 5.66 1.10 4 7 -25 6.45 1.49 -4 -7 24 4.95 1.89 4 7 -24 4.40 1.34 -4 -7 24 6.37 1.34 4 7 -24 6.05 1.49 -4 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-4 -7 9 59.59 2.59 4 7 -9 59.27 2.52 4 7 -8 74.84 3.46 -4 -7 8 76.41 2.91 4 7 -8 71.22 2.75 4 7 -7 422.68 14.23 -4 -7 7 417.73 10.06 4 7 -7 420.08 10.14 4 7 -6 1.73 1.49 -4 -7 6 1.97 1.34 4 7 -6 1.02 1.26 4 7 -5 75.23 11.01 4 7 -5 81.83 3.69 -4 -7 5 83.88 2.99 4 7 -5 83.72 2.99 4 7 -4 175.30 25.15 4 7 -4 178.99 6.60 -4 -7 4 177.34 4.95 4 7 -4 185.99 5.11 4 7 -3 123.65 18.16 4 7 -3 118.86 4.80 -4 -7 3 108.48 3.46 4 7 -3 112.41 3.54 4 7 -2 328.90 46.85 4 7 -2 312.31 10.69 -4 -7 2 299.42 7.47 4 7 -2 307.36 7.63 4 7 -1 59.74 9.83 4 7 -1 51.33 2.67 4 7 -1 49.05 2.36 4 7 0 32.70 6.84 4 7 0 25.00 2.04 4 7 1 9.12 3.62 4 7 1 10.85 1.57 4 7 2 100.54 14.62 4 7 2 94.64 4.01 4 7 2 96.69 3.38 4 7 3 210.36 30.03 -4 -7 -3 210.12 5.66 4 7 3 216.96 5.74 4 7 4 13.13 2.59 4 7 4 10.93 1.41 4 7 5 22.56 3.85 -4 -7 -5 24.21 1.81 4 7 5 24.05 1.73 4 7 6 48.19 7.31 -4 -7 -6 47.87 2.28 4 7 6 44.65 2.12 4 7 7 -1.49 1.18 4 7 7 0.16 1.02 -4 -7 -7 -1.26 1.10 4 7 7 -0.94 1.02 4 7 8 117.76 17.06 4 7 8 119.80 4.56 -4 -7 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1.49 4 8 -11 34.51 2.36 -4 -8 11 32.15 2.12 4 8 -11 33.88 2.20 -4 -8 10 1.10 1.49 4 8 -10 0.00 1.49 -4 -8 10 0.39 1.34 4 8 -10 -1.89 1.41 -4 -8 9 30.74 4.87 4 8 -9 34.35 2.44 -4 -8 9 33.88 2.04 4 8 -9 36.00 2.12 4 8 -8 141.57 20.36 4 8 -8 150.22 5.82 -4 -8 8 142.28 4.32 4 8 -8 133.56 4.09 4 8 -7 5.50 1.73 4 8 -7 4.48 1.65 -4 -8 7 5.90 1.41 4 8 -7 4.72 1.34 4 8 -6 236.14 33.64 4 8 -6 246.67 8.80 -4 -8 6 256.89 6.68 4 8 -6 249.03 6.52 4 8 -5 88.98 12.97 4 8 -5 99.52 4.24 -4 -8 5 100.30 3.38 4 8 -5 96.92 3.30 4 8 -4 5.82 3.07 4 8 -4 7.07 1.65 -4 -8 4 4.56 1.41 4 8 -4 6.13 1.49 4 8 -3 33.64 6.45 4 8 -3 29.56 2.12 -4 -8 3 30.97 1.97 4 8 -3 32.94 1.97 4 8 -2 161.70 23.50 4 8 -2 163.66 6.21 -4 -8 2 164.76 4.72 4 8 -2 166.73 4.72 4 8 -1 598.60 84.90 4 8 -1 558.36 18.47 -4 -8 1 562.76 13.13 4 8 -1 571.64 13.36 4 8 0 10.61 5.03 4 8 0 11.01 1.57 -4 -8 0 11.16 1.57 4 8 0 9.98 1.49 4 8 1 149.20 22.01 4 8 1 111.62 4.56 -4 -8 -1 114.53 3.69 4 8 1 110.68 3.54 4 8 2 50.47 7.70 4 8 2 54.00 2.83 4 8 2 52.12 2.36 4 8 3 5.50 1.81 4 8 3 5.74 1.41 -4 -8 -3 7.00 1.34 4 8 3 5.27 1.26 4 8 4 21.54 3.69 4 8 4 22.95 1.89 -4 -8 -4 23.74 1.81 4 8 4 22.95 1.73 4 8 5 130.80 18.87 4 8 5 140.55 5.42 -4 -8 -5 146.68 4.40 4 8 5 145.74 4.32 4 8 6 53.06 8.02 4 8 6 58.48 2.83 -4 -8 -6 57.15 2.44 4 8 6 53.06 2.28 4 8 7 10.38 2.36 4 8 7 11.08 1.34 -4 -8 -7 11.40 1.41 4 8 7 10.14 1.34 4 8 8 11.56 2.52 4 8 8 15.80 1.65 -4 -8 -8 16.27 1.49 4 8 8 16.66 1.49 -4 -8 -9 25.63 4.32 4 8 9 28.77 4.72 -4 -8 -9 30.42 1.89 4 8 9 29.48 1.89 -4 -8 -10 116.34 16.90 4 8 10 104.23 15.25 4 8 10 104.31 4.17 -4 -8 -10 103.92 3.54 4 8 10 105.02 3.54 -4 -8 -11 14.62 2.67 4 8 11 11.48 2.44 4 8 11 11.40 1.26 -4 -8 -11 13.52 1.41 4 8 11 11.87 1.41 -4 -8 -12 0.47 0.86 4 8 12 -0.08 1.18 4 8 12 0.55 0.86 -4 -8 -12 1.41 1.18 4 8 12 0.31 1.18 -4 -8 -13 18.63 3.22 4 8 13 19.97 3.54 4 8 13 19.73 1.34 -4 -8 -13 15.25 1.65 4 8 13 19.81 1.65 -4 -8 -14 1.10 0.94 4 8 14 1.02 0.55 4 8 14 0.55 0.55 -4 -8 -14 2.67 1.18 4 8 14 1.65 1.10 -4 -8 -15 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1.34 -4 -11 13 -0.39 1.41 4 11 -13 -1.02 1.49 -4 -11 12 7.55 2.20 4 11 -12 7.23 1.73 -4 -11 12 12.42 1.65 4 11 -12 7.78 1.65 -4 -11 11 2.28 1.65 4 11 -11 2.44 1.57 -4 -11 11 3.14 1.41 4 11 -11 3.14 1.41 4 11 -10 19.49 3.46 4 11 -10 23.27 2.20 -4 -11 10 24.84 1.97 4 11 -10 22.25 1.89 4 11 -9 -1.73 1.49 4 11 -9 1.81 1.41 -4 -11 9 0.55 1.34 -4 -11 9 -0.24 0.79 4 11 -9 -0.79 1.34 4 11 -8 155.88 22.40 4 11 -8 174.83 6.68 -4 -11 8 168.22 5.03 4 11 -8 168.22 5.03 4 11 -7 147.94 21.22 4 11 -7 162.41 6.29 -4 -11 7 159.02 4.80 4 11 -7 156.75 4.72 4 11 -6 43.71 6.68 4 11 -6 44.10 2.75 -4 -11 6 45.59 2.44 4 11 -6 39.54 2.36 4 11 -5 277.72 39.54 4 11 -5 313.73 11.01 -4 -11 5 317.19 8.18 4 11 -5 311.84 8.10 4 11 -4 43.55 7.70 4 11 -4 34.43 2.52 4 11 -4 30.58 2.04 4 11 -3 9.83 4.40 4 11 -3 10.53 1.73 -4 -11 3 8.25 1.49 4 11 -3 9.28 1.49 4 11 -2 0.16 4.17 4 11 -2 0.00 1.41 -4 -11 2 0.16 1.26 4 11 -2 0.86 1.26 4 11 -1 1.49 4.48 4 11 -1 0.00 1.41 -4 -11 1 0.55 1.34 4 11 -1 0.86 1.34 4 11 0 31.52 6.76 4 11 0 26.57 2.20 -4 -11 0 29.71 1.97 4 11 0 30.34 1.97 4 11 1 35.77 2.52 -4 -11 -1 37.57 2.12 4 11 1 36.08 2.04 4 11 2 32.31 6.21 4 11 2 36.71 5.82 4 11 2 36.00 2.52 -4 -11 -2 37.73 2.12 4 11 2 34.67 1.97 4 11 3 3.46 1.73 4 11 3 5.58 1.57 -4 -11 -3 2.67 1.18 4 11 3 2.99 1.26 4 11 4 67.45 10.06 4 11 4 73.11 3.62 -4 -11 -4 72.95 2.91 4 11 4 74.36 2.91 4 11 5 2.91 1.65 4 11 5 3.69 1.34 4 11 5 5.35 1.41 -4 -11 -5 5.27 1.26 4 11 5 3.54 1.26 4 11 6 16.74 3.07 4 11 6 17.61 3.22 4 11 6 17.06 1.81 -4 -11 -6 16.74 1.49 4 11 6 18.24 1.57 4 11 7 11.87 2.44 4 11 7 9.04 2.20 4 11 7 9.35 1.73 -4 -11 -7 10.14 1.34 4 11 7 11.79 1.34 4 11 8 15.01 2.91 4 11 8 14.94 2.91 4 11 8 12.42 1.65 -4 -11 -8 15.96 1.57 4 11 8 11.56 1.34 4 11 9 0.24 1.02 4 11 9 -0.63 1.02 4 11 9 0.31 1.18 -4 -11 -9 -0.31 1.02 4 11 9 1.02 1.02 4 11 10 1.02 1.34 4 11 10 1.81 1.10 -4 -11 -10 1.97 1.10 4 11 10 2.52 1.02 -4 -11 -11 0.00 0.86 4 11 11 2.04 1.26 4 11 11 3.54 1.18 -4 -11 -11 2.59 1.10 4 11 11 2.99 1.02 -4 -11 -12 0.24 1.10 4 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12 -15 11.32 1.89 -4 -12 15 15.09 1.81 -4 -12 15 14.31 1.41 4 12 -15 13.44 1.73 -4 -12 14 36.95 5.97 -4 -12 14 33.49 2.12 4 12 -14 35.77 2.59 -4 -12 14 33.64 2.28 4 12 -14 34.82 2.36 -4 -12 13 10.77 2.59 -4 -12 13 6.84 1.49 4 12 -13 12.73 1.81 -4 -12 13 10.77 1.57 4 12 -13 10.53 1.65 -4 -12 12 44.10 6.92 4 12 -12 51.49 3.14 4 12 -11 0.47 1.34 4 12 -11 -1.65 1.41 -4 -12 11 0.79 1.34 4 12 -11 -0.08 1.34 4 12 -10 3.69 1.57 -4 -12 10 5.58 1.02 -4 -12 10 8.49 1.57 4 12 -10 6.60 1.57 4 12 -9 0.47 1.49 -4 -12 9 -0.16 0.79 -4 -12 9 -0.16 1.34 4 12 -9 -0.63 1.34 4 12 -8 54.63 8.18 -4 -12 8 55.97 2.83 -4 -12 8 58.88 2.75 4 12 -7 98.18 14.31 -4 -12 7 106.91 3.69 4 12 -7 107.62 3.77 4 12 -6 -0.31 1.26 4 12 -6 0.08 1.57 4 12 -6 0.08 1.34 4 12 -5 188.03 27.04 4 12 -5 205.88 7.78 -4 -12 5 194.95 5.58 4 12 -5 202.34 5.74 4 12 -4 -3.62 3.93 4 12 -4 1.02 1.49 -4 -12 4 -0.47 1.18 4 12 -4 0.71 1.26 4 12 -3 88.98 4.17 -4 -12 3 91.50 3.30 4 12 -3 80.89 3.14 4 12 -2 23.27 3.93 4 12 -2 22.17 2.12 -4 -12 2 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7 23.74 1.89 5 7 -7 24.45 1.89 5 7 -6 112.41 16.82 5 7 -6 82.38 3.77 -5 -7 6 83.09 3.07 5 7 -6 81.28 2.99 5 7 -5 6.84 4.09 5 7 -5 5.50 1.73 -5 -7 5 5.35 1.49 5 7 -5 7.00 1.49 5 7 -4 37.10 6.92 5 7 -4 39.30 2.44 -5 -7 4 36.95 2.04 5 7 -4 37.81 2.12 5 7 -3 9.04 4.64 5 7 -3 7.39 1.57 -5 -7 3 7.78 1.49 5 7 -3 5.19 1.41 5 7 -2 2.28 4.48 5 7 -2 8.10 1.57 -5 -7 2 7.63 1.49 5 7 -2 5.11 1.41 5 7 -1 25.39 5.11 5 7 -1 22.40 1.89 -5 -7 1 20.60 1.89 5 7 -1 22.48 1.81 5 7 0 8.02 1.97 5 7 0 9.90 1.57 -5 -7 0 11.16 1.65 5 7 0 11.08 1.49 5 7 1 65.01 9.59 5 7 1 72.63 3.30 -5 -7 -1 77.59 2.99 5 7 1 68.47 2.67 5 7 2 86.55 12.66 5 7 2 88.83 3.77 -5 -7 -2 84.35 3.07 5 7 3 64.22 9.59 5 7 3 60.53 2.99 -5 -7 -3 68.86 2.75 5 7 3 67.21 2.67 5 7 4 3.30 1.73 5 7 4 3.22 1.26 5 7 4 5.97 1.41 5 7 5 76.80 11.32 5 7 5 88.59 3.77 -5 -7 -5 87.88 3.14 5 7 5 85.13 2.99 5 7 6 33.49 5.27 5 7 6 35.22 2.20 -5 -7 -6 38.20 2.12 5 7 6 37.89 2.04 5 7 7 109.74 15.96 -5 -7 -7 113.12 3.69 5 7 7 123.89 3.93 5 7 8 3.54 1.65 -5 -7 -8 5.82 1.26 5 7 8 5.42 1.26 5 7 9 1.26 1.49 5 7 9 2.36 1.10 -5 -7 -9 0.94 1.02 5 7 9 2.67 1.10 -5 -7 -10 3.62 2.91 5 7 10 3.77 1.57 5 7 10 3.54 1.02 -5 -7 -10 2.12 1.18 5 7 10 2.36 1.18 -5 -7 -11 4.80 2.91 5 7 11 4.40 1.57 5 7 11 7.23 1.02 -5 -7 -11 6.13 1.26 5 7 11 7.23 1.34 -5 -7 -12 1.89 2.59 5 7 12 0.31 0.71 -5 -7 -12 1.65 1.18 5 7 12 0.39 1.18 -5 -7 -13 1.81 2.59 5 7 13 0.47 1.26 5 7 13 0.16 0.55 -5 -7 -13 -0.08 1.18 5 7 13 -0.71 1.10 -5 -7 -14 27.43 5.19 5 7 14 19.02 3.46 -5 -7 -14 20.75 1.81 5 7 14 19.34 1.73 -5 -7 -15 3.14 2.75 5 7 15 1.65 1.34 -5 -7 -15 1.26 1.18 5 7 15 1.65 1.26 -5 -7 -16 3.30 3.07 -5 -7 -16 5.03 1.34 5 7 16 0.86 1.10 -5 -7 -17 5.42 1.49 -5 -7 -18 -0.08 1.18 5 8 -28 1.10 1.26 5 8 -27 9.43 1.65 -5 -8 26 3.46 1.89 -5 -8 26 5.90 1.26 -5 -8 26 3.54 0.94 5 8 -26 4.32 1.02 5 8 -26 2.91 1.41 -5 -8 25 1.26 1.73 -5 -8 25 0.86 1.02 -5 -8 25 -0.24 0.86 5 8 -25 -0.08 1.41 5 8 -25 -0.79 0.86 -5 -8 24 -0.63 1.65 5 8 -24 -1.02 1.41 -5 -8 24 2.75 1.34 -5 -8 24 0.16 0.86 5 8 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130.73 4.01 6 4 1 18.55 3.22 6 4 1 14.46 1.65 -6 -4 -1 17.29 1.73 6 4 1 16.04 1.65 6 4 2 135.60 19.57 6 4 2 148.33 5.58 -6 -4 -2 143.38 4.32 6 4 2 142.12 4.24 6 4 3 18.79 3.30 6 4 3 20.36 1.73 -6 -4 -3 20.91 1.89 6 4 3 18.79 1.73 6 4 4 66.27 9.83 6 4 4 64.07 2.91 -6 -4 -4 63.67 2.67 6 4 4 58.96 2.52 6 4 5 2.91 1.41 6 4 5 2.99 1.02 -6 -4 -5 2.44 1.34 6 4 5 2.67 1.26 6 4 6 1.97 1.41 6 4 6 2.04 1.02 -6 -4 -6 1.57 1.26 6 4 6 1.34 1.26 6 4 7 11.71 2.52 6 4 7 6.21 1.10 -6 -4 -7 10.69 1.49 6 4 7 5.19 1.41 6 4 8 0.31 1.41 6 4 8 -0.08 0.86 -6 -4 -8 0.00 1.26 6 4 8 1.57 1.26 6 4 9 6.60 1.89 6 4 9 7.86 1.02 -6 -4 -9 7.70 1.41 6 4 9 5.82 1.34 6 4 10 6.37 1.73 6 4 10 5.74 0.86 -6 -4 -10 6.84 1.34 6 4 10 6.13 1.34 -6 -4 -11 2.28 2.99 6 4 11 2.83 0.71 -6 -4 -11 5.58 1.26 6 4 11 1.26 1.18 -6 -4 -12 -0.39 2.83 6 4 12 2.20 1.34 6 4 12 3.22 0.63 -6 -4 -12 4.01 1.34 6 4 12 1.26 1.26 -6 -4 -13 1.81 2.75 6 4 13 0.00 1.26 6 4 13 2.83 0.39 -6 -4 -13 1.81 1.26 6 4 13 1.89 1.34 -6 -4 -14 1.81 2.67 6 4 14 1.41 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6 5 -8 19.10 1.73 6 5 -7 29.24 5.74 6 5 -7 30.26 2.20 -6 -5 7 33.09 2.04 6 5 -7 30.66 2.04 6 5 -6 170.03 24.53 6 5 -6 153.99 5.82 -6 -5 6 155.96 4.56 6 5 -6 155.25 4.56 6 5 -5 4.09 3.14 6 5 -5 6.13 1.41 -6 -5 5 5.66 1.49 6 5 -5 4.32 1.41 6 5 -4 2.44 1.34 6 5 -4 2.52 1.41 -6 -5 4 1.26 1.34 6 5 -4 3.54 1.34 6 5 -3 67.45 3.22 -6 -5 3 69.25 2.83 6 5 -3 66.35 2.75 6 5 -2 9.75 2.12 6 5 -2 10.45 1.65 -6 -5 2 10.14 1.65 6 5 -2 11.16 1.57 6 5 -1 294.86 41.90 6 5 -1 293.21 10.14 -6 -5 1 290.69 7.39 6 5 -1 293.92 7.47 6 5 0 254.22 36.24 6 5 0 253.91 8.88 -6 -5 0 258.31 6.76 6 5 0 252.33 6.60 6 5 1 48.50 7.31 6 5 1 52.04 2.99 -6 -5 -1 51.33 2.52 6 5 1 51.10 2.44 6 5 2 67.37 9.98 -6 -5 -2 78.14 2.99 6 5 2 78.29 2.99 6 5 3 126.80 18.32 -6 -5 -3 135.05 4.17 6 5 3 134.97 4.17 6 5 4 9.51 2.12 -6 -5 -4 9.12 1.49 6 5 4 8.10 1.41 6 5 5 63.67 9.51 6 5 5 58.33 2.83 -6 -5 -5 61.79 2.67 6 5 5 55.26 2.44 6 5 6 83.72 12.34 6 5 6 79.08 3.38 -6 -5 -6 87.81 3.22 6 5 6 76.80 2.91 6 5 7 64.93 9.67 6 5 7 58.01 2.67 6 5 7 58.72 2.59 6 5 8 133.48 19.34 6 5 8 134.42 5.03 -6 -5 -8 135.36 4.24 6 5 8 138.12 4.32 6 5 9 51.02 7.78 6 5 9 48.74 2.28 -6 -5 -9 47.87 2.44 6 5 9 45.75 2.36 -6 -5 -10 12.11 3.62 6 5 10 10.30 2.52 6 5 10 14.62 1.26 -6 -5 -10 15.88 1.57 6 5 10 14.70 1.57 -6 -5 -11 -2.99 2.67 6 5 11 1.26 1.18 6 5 11 1.18 0.71 -6 -5 -11 0.24 1.10 6 5 11 2.59 1.18 -6 -5 -12 2.28 2.75 6 5 12 2.91 1.34 6 5 12 2.04 0.63 -6 -5 -12 -0.16 1.26 6 5 12 1.65 1.26 -6 -5 -13 0.39 2.59 6 5 13 0.55 1.26 6 5 13 1.89 0.47 -6 -5 -13 2.12 1.26 6 5 13 1.89 1.34 -6 -5 -14 1.97 2.59 6 5 14 0.55 1.10 -6 -5 -14 0.31 1.34 6 5 14 1.49 1.18 -6 -5 -15 40.88 6.92 6 5 15 0.55 1.02 -6 -5 -16 9.75 3.30 6 5 16 5.35 1.57 -6 -5 -16 4.32 1.34 6 5 16 6.37 1.41 -6 -5 -17 5.58 3.07 -6 -5 -17 5.90 1.49 6 5 17 2.36 1.34 -6 -5 -18 10.93 1.73 6 5 18 10.14 1.65 -6 -5 -19 -0.55 1.26 6 5 19 -1.10 1.34 -6 -5 -20 0.86 1.18 6 6 -28 4.01 1.18 -6 -6 28 4.01 1.10 -6 -6 28 3.62 1.18 6 6 -28 5.27 1.10 6 6 -28 2.44 1.34 6 6 -27 5.03 1.26 -6 -6 27 2.20 1.18 6 6 -27 2.99 1.34 6 6 -27 3.62 1.02 -6 -6 26 19.10 3.46 6 6 -26 17.84 1.97 -6 -6 26 18.08 1.73 6 6 -26 16.90 1.57 6 6 -26 15.33 1.73 -6 -6 25 5.03 1.81 6 6 -25 7.23 1.41 -6 -6 25 6.76 1.41 6 6 -25 4.80 1.41 -6 -6 24 19.49 3.38 6 6 -24 15.49 1.81 -6 -6 24 17.06 1.73 6 6 -24 16.19 1.81 -6 -6 23 5.50 1.81 6 6 -23 4.87 1.49 -6 -6 23 7.07 1.41 6 6 -23 7.39 1.57 -6 -6 22 4.32 1.73 6 6 -22 0.47 1.34 -6 -6 22 1.49 1.18 6 6 -22 1.97 1.10 6 6 -22 2.52 1.65 6 6 -21 6.05 1.49 6 6 -21 4.72 1.57 6 6 -20 39.30 2.59 -6 -6 19 9.28 2.04 6 6 -19 11.63 1.73 -6 -6 19 10.69 1.57 6 6 -19 9.83 1.73 -6 -6 18 8.02 1.81 6 6 -18 8.18 1.73 -6 -6 18 5.90 1.57 6 6 -18 6.13 1.65 -6 -6 17 62.02 9.12 6 6 -17 63.75 3.38 -6 -6 17 62.97 2.83 6 6 -17 61.63 2.83 -6 -6 16 118.15 16.98 6 6 -16 126.09 5.19 -6 -6 16 123.42 4.09 6 6 -16 122.39 4.09 -6 -6 15 6.21 1.65 6 6 -15 6.45 1.49 -6 -6 15 9.35 1.65 6 6 -15 5.58 1.49 -6 -6 14 6.60 1.65 6 6 -14 9.28 1.65 -6 -6 14 5.90 1.57 6 6 -14 5.42 1.49 6 6 -13 0.71 1.10 6 6 -13 -1.41 1.34 -6 -6 13 1.34 1.41 6 6 -13 0.08 1.41 6 6 -12 193.69 27.59 6 6 -12 193.85 7.23 -6 -6 12 191.25 5.42 6 6 -12 189.45 5.42 6 6 -11 80.50 11.63 6 6 -11 74.36 3.54 -6 -6 11 84.90 3.14 6 6 -11 83.64 3.14 6 6 -10 259.17 36.87 6 6 -10 266.80 9.43 -6 -6 10 267.35 7.00 6 6 -10 257.84 6.84 6 6 -9 20.12 1.97 -6 -6 9 18.63 1.81 6 6 -9 21.46 1.81 6 6 -8 -5.19 3.62 6 6 -8 -0.24 1.49 -6 -6 8 1.02 1.34 6 6 -8 1.26 1.34 6 6 -7 93.94 14.15 6 6 -7 82.77 3.77 -6 -6 7 88.28 3.22 6 6 -7 85.53 3.14 6 6 -6 103.92 4.32 -6 -6 6 104.31 3.54 6 6 -6 106.99 3.62 6 6 -5 26.49 2.12 -6 -6 5 26.10 1.97 6 6 -5 27.04 1.89 6 6 -4 66.90 10.30 6 6 -4 67.92 3.22 -6 -6 4 67.37 2.75 6 6 -4 64.62 2.67 6 6 -3 -0.24 1.34 6 6 -3 1.81 1.41 -6 -6 3 -0.16 1.57 6 6 -3 -0.79 1.41 6 6 -2 240.46 34.27 6 6 -2 247.38 8.73 -6 -6 2 247.85 6.52 6 6 -2 238.42 6.29 6 6 -1 102.19 14.86 6 6 -1 111.62 4.56 -6 -6 1 114.06 3.77 6 6 -1 110.68 3.62 6 6 0 0.31 1.49 6 6 0 -0.39 1.26 -6 -6 0 0.00 1.57 6 6 0 -0.71 1.34 6 6 1 8.10 2.04 -6 -6 -1 6.05 1.41 6 6 1 6.13 1.49 6 6 2 3.62 1.57 6 6 2 4.95 1.26 -6 -6 -2 4.87 1.41 6 6 2 3.46 1.41 6 6 3 50.55 7.63 6 6 3 51.10 2.67 -6 -6 -3 49.29 2.44 6 6 3 52.12 2.44 6 6 4 118.38 17.22 6 6 4 122.63 4.80 -6 -6 -4 120.27 3.93 6 6 5 16.35 3.14 6 6 5 17.06 1.73 -6 -6 -5 14.86 1.57 6 6 5 21.07 1.73 6 6 6 2.91 1.49 -6 -6 -6 1.73 1.26 6 6 6 2.20 1.26 6 6 7 41.82 6.52 -6 -6 -7 41.35 2.28 6 6 7 45.75 2.36 6 6 8 -0.24 1.02 -6 -6 -8 0.55 1.18 6 6 8 3.14 1.18 6 6 9 23.58 4.01 6 6 9 21.38 1.57 -6 -6 -9 22.48 1.73 6 6 9 25.47 1.81 -6 -6 -10 0.94 2.67 6 6 10 0.94 1.41 6 6 10 -0.16 0.79 -6 -6 -10 -0.94 1.10 6 6 10 -0.08 1.18 -6 -6 -11 1.57 2.67 6 6 11 3.62 1.57 6 6 11 2.20 0.79 -6 -6 -11 3.22 1.26 6 6 11 4.87 1.26 -6 -6 -12 4.01 2.67 6 6 12 0.24 1.18 6 6 12 -0.24 0.63 -6 -6 -12 -0.47 1.26 6 6 12 -0.31 1.26 -6 -6 -13 11.16 3.22 6 6 13 9.04 2.12 6 6 13 8.49 0.71 -6 -6 -13 6.45 1.57 6 6 13 11.48 1.57 -6 -6 -14 1.49 2.59 6 6 14 1.49 1.18 -6 -6 -14 2.75 1.34 6 6 14 3.38 1.26 -6 -6 -15 19.89 4.32 6 6 15 13.52 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3.93 6 7 -17 29.87 2.28 -6 -7 17 24.76 2.04 6 7 -17 25.39 2.12 -6 -7 16 55.73 8.41 6 7 -16 65.32 3.38 -6 -7 16 61.16 2.83 6 7 -16 61.47 2.83 6 7 -15 11.16 1.73 -6 -7 15 12.97 1.73 6 7 -15 10.45 1.65 6 7 -14 73.66 3.62 -6 -7 14 70.59 2.99 6 7 -14 68.23 2.91 6 7 -13 -0.86 1.41 -6 -7 13 0.31 1.41 6 7 -13 1.81 1.26 6 7 -12 30.42 2.28 -6 -7 12 33.49 2.12 6 7 -12 35.14 2.20 6 7 -11 17.14 1.89 -6 -7 11 20.12 1.89 6 7 -11 18.00 1.81 6 7 -10 6.21 1.57 -6 -7 10 4.64 1.49 6 7 -10 5.97 1.41 6 7 -9 8.25 2.99 6 7 -9 14.07 1.81 -6 -7 9 14.54 1.65 6 7 -9 11.71 1.65 6 7 -8 30.74 5.90 6 7 -8 29.40 2.28 -6 -7 8 28.14 2.04 6 7 -8 27.28 1.97 6 7 -7 266.72 38.13 6 7 -7 271.67 9.67 -6 -7 7 254.46 6.76 6 7 -7 262.32 6.92 6 7 -6 6.84 4.32 6 7 -6 4.01 1.49 -6 -7 6 5.50 1.49 6 7 -6 3.62 1.41 6 7 -5 29.79 6.21 6 7 -5 23.03 2.04 -6 -7 5 24.92 1.97 6 7 -5 24.29 1.89 6 7 -4 3.77 4.24 6 7 -4 6.68 1.57 -6 -7 4 5.03 1.49 6 7 -4 4.80 1.41 6 7 -3 19.49 4.17 6 7 -3 20.28 1.97 -6 -7 3 19.73 1.89 6 7 -3 21.38 1.81 6 7 -2 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32.62 2.44 -7 -5 9 27.51 1.97 7 5 -9 26.96 1.97 7 5 -8 73.03 3.62 -7 -5 8 71.93 2.91 7 5 -8 73.58 2.91 7 5 -7 192.59 27.51 7 5 -7 221.36 8.10 -7 -5 7 208.63 5.74 7 5 -7 209.26 5.74 7 5 -6 1.02 1.18 7 5 -6 3.38 1.65 -7 -5 6 1.81 1.34 7 5 -6 2.83 1.41 7 5 -5 16.19 1.97 -7 -5 5 15.33 1.89 7 5 -5 15.80 1.81 7 5 -4 -0.24 1.34 7 5 -4 -0.79 1.57 -7 -5 4 0.00 1.57 7 5 -4 -0.31 1.41 7 5 -3 21.77 3.62 7 5 -3 20.67 2.04 -7 -5 3 21.85 1.97 7 5 -3 23.74 1.89 7 5 -2 18.24 3.22 7 5 -2 14.62 1.89 -7 -5 2 18.39 1.89 7 5 -2 17.37 1.81 7 5 -1 8.18 1.89 7 5 -1 7.78 1.65 -7 -5 1 9.43 1.57 7 5 -1 12.58 1.65 7 5 0 8.96 2.04 7 5 0 9.59 1.65 -7 -5 0 13.76 1.65 7 5 0 10.53 1.65 7 5 1 5.97 1.81 -7 -5 -1 10.45 1.57 7 5 1 7.55 1.57 7 5 2 0.31 1.41 7 5 2 -0.24 1.34 -7 -5 -2 1.02 1.49 7 5 2 -0.86 1.41 7 5 3 52.04 7.94 7 5 3 41.98 2.44 -7 -5 -3 47.79 2.52 7 5 3 43.63 2.36 7 5 4 64.85 9.75 7 5 4 72.87 3.30 -7 -5 -4 63.59 2.75 7 5 4 72.16 2.91 7 5 5 5.19 1.65 7 5 5 4.64 1.18 -7 -5 -5 4.72 1.41 7 5 5 7.31 1.41 7 5 6 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164.06 6.37 -7 -6 11 156.82 4.72 7 6 -11 149.43 4.56 7 6 -10 6.21 3.62 7 6 -10 7.15 1.65 -7 -6 10 7.39 1.57 7 6 -10 7.78 1.65 7 6 -9 -1.65 3.77 7 6 -9 2.04 1.49 -7 -6 9 -0.24 1.41 7 6 -9 1.81 1.49 7 6 -8 4.01 1.57 -7 -6 8 7.07 1.65 7 6 -8 3.14 1.57 7 6 -7 25.55 2.12 -7 -6 7 29.01 2.04 7 6 -7 27.59 2.04 7 6 -6 1.18 1.97 7 6 -6 -0.79 1.41 -7 -6 6 1.02 1.34 7 6 -6 -0.08 1.41 7 6 -5 0.47 1.26 7 6 -5 3.14 1.41 -7 -6 5 2.75 1.65 7 6 -5 1.49 1.41 7 6 -4 14.46 2.67 7 6 -4 12.50 1.65 -7 -6 4 17.77 1.89 7 6 -4 16.27 1.81 7 6 -3 71.53 10.53 7 6 -3 69.73 3.46 -7 -6 3 77.11 3.07 7 6 -3 75.46 2.99 7 6 -2 143.07 20.60 7 6 -2 151.32 5.90 -7 -6 2 152.66 4.64 7 6 -2 148.41 4.48 7 6 -1 9.12 2.12 7 6 -1 10.93 1.73 -7 -6 1 11.01 1.73 7 6 -1 5.82 1.57 7 6 0 2.12 1.41 7 6 0 3.38 1.65 -7 -6 0 5.35 0.86 -7 -6 0 3.93 1.41 7 6 0 5.35 1.49 7 6 1 23.43 3.85 7 6 1 19.97 1.97 -7 -6 -1 25.63 1.97 7 6 1 24.37 1.89 7 6 2 28.69 4.72 7 6 2 26.33 2.12 -7 -6 -2 26.73 2.04 7 6 2 29.40 2.04 7 6 3 40.80 6.37 7 6 3 37.81 2.36 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8.57 2.04 7 7 1 8.10 1.65 -7 -7 -1 9.43 1.57 7 7 1 8.33 1.49 7 7 2 66.19 9.83 7 7 2 76.88 3.62 -7 -7 -2 79.16 3.14 7 7 3 44.18 6.76 7 7 3 50.94 2.83 -7 -7 -3 52.27 2.59 7 7 3 50.47 2.52 7 7 4 35.61 5.66 7 7 4 34.74 2.36 -7 -7 -4 30.66 2.04 7 7 4 31.36 2.04 -7 -7 -5 4.56 1.89 7 7 5 8.73 1.49 -7 -7 -5 10.85 1.49 7 7 5 7.15 1.34 7 7 6 0.24 1.34 7 7 6 -0.71 1.26 -7 -7 -6 -2.75 1.18 7 7 6 -0.31 1.18 7 7 7 0.24 1.41 7 7 7 2.28 1.26 -7 -7 -7 -0.31 1.26 7 7 7 2.67 1.26 -7 -7 -8 1.26 2.52 7 7 8 -0.55 1.26 7 7 8 1.49 1.02 -7 -7 -8 -0.47 1.10 7 7 8 1.41 1.18 -7 -7 -9 87.81 13.13 7 7 9 85.60 12.66 7 7 9 70.90 3.38 -7 -7 -9 82.15 3.30 7 7 9 81.52 3.22 -7 -7 -10 2.59 2.59 7 7 10 0.94 1.34 7 7 10 2.52 0.94 -7 -7 -10 1.49 1.26 7 7 10 3.22 1.26 -7 -7 -11 2.28 2.59 7 7 11 4.56 1.73 -7 -7 -12 18.63 3.93 7 7 12 12.97 2.75 7 7 12 11.24 1.10 -7 -7 -12 12.18 1.65 7 7 12 11.79 1.57 -7 -7 -13 -0.63 2.36 -7 -7 -13 -1.73 1.18 7 7 13 1.89 1.18 -7 -7 -14 0.79 1.34 7 7 14 -1.49 1.10 -7 -7 -15 -0.31 1.34 7 7 15 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5 -15 70.51 3.62 -8 -5 15 62.81 2.75 8 5 -15 63.59 2.83 8 5 -14 -0.31 2.67 8 5 -14 1.65 1.65 -8 -5 14 1.73 1.34 8 5 -14 -0.24 1.34 8 5 -13 228.67 32.62 8 5 -13 186.30 7.07 -8 -5 13 186.14 5.42 8 5 -13 184.49 5.42 8 5 -13 194.63 5.50 8 5 -12 10.06 2.83 8 5 -12 10.06 1.89 -8 -5 12 9.20 1.65 8 5 -12 10.06 1.65 8 5 -11 35.06 5.50 8 5 -11 38.83 2.67 -8 -5 11 38.99 2.36 8 5 -11 40.88 2.36 8 5 -10 12.42 2.20 8 5 -10 12.50 1.89 -8 -5 10 13.99 1.73 8 5 -10 13.36 1.73 8 5 -9 47.40 7.00 8 5 -9 50.23 2.99 -8 -5 9 55.89 2.67 8 5 -9 48.97 2.52 8 5 -8 322.77 45.83 8 5 -8 332.36 11.56 -8 -5 8 313.88 8.02 8 5 -8 311.21 8.02 8 5 -7 1.18 1.57 -8 -5 7 1.65 1.57 8 5 -7 2.44 1.49 8 5 -6 2.59 1.73 -8 -5 6 1.26 1.57 8 5 -6 0.31 1.49 8 5 -5 2.99 1.34 8 5 -5 4.32 1.65 -8 -5 5 1.10 1.57 8 5 -5 4.32 1.49 8 5 -4 208.00 29.71 8 5 -4 215.23 7.94 -8 -5 4 208.63 5.82 8 5 -4 220.73 6.05 8 5 -3 76.88 11.24 8 5 -3 70.20 3.46 -8 -5 3 75.62 3.07 8 5 -3 68.15 2.91 8 5 -2 161.07 23.11 8 5 -2 176.08 6.68 -8 -5 2 162.25 4.80 8 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3.62 1.89 -10 -3 -12 5.19 1.49 -10 -3 -12 8.88 1.18 10 3 12 6.92 1.10 10 3 12 6.29 1.49 -10 -3 -13 0.47 1.34 -10 -3 -13 2.04 0.79 10 3 13 1.73 0.86 10 3 13 2.59 1.26 -10 -3 -14 0.39 1.34 -10 -3 -14 -0.31 0.71 10 3 14 0.55 0.79 10 3 14 0.39 1.18 -10 -4 29 16.59 1.57 10 4 -29 12.34 1.65 10 4 -28 2.67 1.18 -10 -4 28 2.91 1.10 -10 -4 28 3.07 1.02 10 4 -28 3.93 1.34 10 4 -28 0.79 1.34 10 4 -27 0.86 1.02 -10 -4 27 1.10 1.10 10 4 -27 0.31 1.26 10 4 -26 8.41 1.41 -10 -4 26 5.11 1.26 10 4 -26 3.93 1.34 10 4 -25 7.31 1.41 -10 -4 25 5.19 1.26 10 4 -25 5.11 1.34 10 4 -24 15.96 1.81 -10 -4 24 12.73 1.57 10 4 -24 14.94 1.73 10 4 -23 8.57 1.57 -10 -4 23 8.25 1.41 10 4 -23 8.02 1.49 10 4 -22 1.49 1.41 -10 -4 22 -2.04 1.34 10 4 -22 0.86 1.34 10 4 -21 15.80 2.04 -10 -4 21 15.41 1.81 10 4 -21 15.17 1.89 10 4 -20 1.49 1.49 -10 -4 20 2.52 1.41 10 4 -20 1.34 1.49 10 4 -19 11.71 2.12 10 4 -17 -0.08 1.41 10 4 -16 19.81 2.12 -10 -4 16 20.12 1.89 10 4 -16 17.06 1.89 10 4 -15 17.22 2.75 10 4 -15 9.90 1.65 -10 -4 15 15.56 1.81 10 4 -15 14.78 1.81 10 4 -14 1.26 0.94 10 4 -14 0.24 1.41 -10 -4 14 4.40 1.41 10 4 -14 2.36 1.49 10 4 -13 8.96 1.65 10 4 -13 6.13 1.73 -10 -4 13 6.68 1.49 10 4 -13 8.18 1.65 10 4 -12 0.39 0.71 10 4 -12 -1.57 1.41 -10 -4 12 1.26 1.41 10 4 -12 -0.31 1.49 10 4 -11 0.08 0.79 10 4 -11 0.16 1.41 -10 -4 11 -1.26 1.57 10 4 -11 -0.31 1.49 10 4 -10 30.03 4.64 10 4 -10 26.49 2.28 -10 -4 10 27.75 2.20 10 4 -10 24.68 2.12 10 4 -9 3.46 1.18 10 4 -9 4.01 1.57 -10 -4 9 5.19 1.65 10 4 -9 2.04 1.49 10 4 -8 2.52 1.49 -10 -4 8 0.08 1.57 10 4 -8 0.63 1.57 10 4 -7 2.20 1.18 10 4 -7 2.83 1.57 -10 -4 7 4.01 1.57 10 4 -7 6.45 1.65 10 4 -6 1.97 1.26 10 4 -6 0.24 1.41 -10 -4 6 3.93 1.65 10 4 -6 -1.18 1.49 10 4 -5 16.19 2.91 10 4 -5 15.56 1.89 -10 -4 5 16.90 1.81 10 4 -5 15.01 1.81 10 4 -4 40.64 6.29 10 4 -4 36.00 2.52 -10 -4 4 38.20 2.28 10 4 -4 37.10 2.36 10 4 -3 24.29 4.01 10 4 -3 19.89 2.04 -10 -4 3 21.38 1.89 10 4 -3 24.92 2.04 10 4 -2 63.91 3.30 -10 -4 2 62.18 2.83 10 4 -2 65.64 2.91 10 4 -1 0.71 1.26 10 4 -1 1.49 1.41 -10 -4 1 0.86 1.49 10 4 -1 2.44 1.57 10 4 0 39.46 6.13 10 4 0 31.44 2.36 -10 -4 0 40.33 2.44 10 4 0 35.77 2.28 10 4 1 4.72 1.57 10 4 1 2.36 1.34 -10 -4 -1 5.03 1.41 10 4 1 3.69 1.34 10 4 2 21.93 3.69 10 4 2 22.09 2.04 -10 -4 -2 23.43 1.97 10 4 2 23.03 1.89 10 4 3 21.85 3.77 10 4 3 23.90 2.04 10 4 4 33.96 2.36 -10 -4 -5 0.47 2.91 10 4 5 0.39 1.26 10 4 5 2.75 1.18 -10 -4 -5 1.65 1.26 10 4 5 1.97 1.18 10 4 6 40.64 2.52 -10 -4 -6 32.62 2.12 10 4 6 32.78 2.12 10 4 6 35.14 1.89 -10 -4 -7 181.59 26.26 10 4 7 163.66 6.37 -10 -4 -7 141.42 4.64 10 4 7 152.74 4.80 -10 -4 -8 24.60 4.80 10 4 8 19.89 3.46 10 4 8 19.18 1.81 -10 -4 -8 20.75 1.97 10 4 8 20.52 1.81 -10 -4 -9 7.39 2.99 10 4 9 3.85 1.41 10 4 9 4.09 1.10 -10 -4 -9 7.86 1.49 10 4 9 4.64 1.34 -10 -4 -10 2.99 2.83 10 4 10 0.63 1.10 10 4 10 -0.24 0.94 -10 -4 -10 0.31 0.79 -10 -4 -10 1.49 1.18 10 4 10 -0.79 1.18 -10 -4 -11 16.35 4.01 10 4 11 11.56 2.52 10 4 11 14.39 1.41 -10 -4 -11 16.82 1.73 10 4 11 16.90 1.73 -10 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0.63 10 5 -17 1.34 1.41 -10 -5 17 1.02 1.57 10 5 -16 19.42 3.07 10 5 -15 -0.31 0.63 -10 -5 15 0.79 0.94 -10 -5 15 -0.16 1.41 10 5 -15 0.39 0.94 10 5 -15 0.08 1.41 10 5 -14 0.00 0.71 10 5 -14 1.02 1.49 -10 -5 14 -1.97 1.34 10 5 -14 -0.63 1.41 10 5 -13 105.49 15.17 10 5 -13 107.69 4.80 -10 -5 13 110.37 3.85 10 5 -13 94.02 3.54 10 5 -12 4.32 1.26 10 5 -12 2.44 1.81 -10 -5 12 3.69 1.57 10 5 -12 3.54 1.49 10 5 -11 4.24 1.26 10 5 -11 2.04 1.81 -10 -5 11 3.22 1.57 10 5 -11 2.75 1.57 10 5 -10 451.84 15.49 -10 -5 10 432.74 10.77 10 5 -10 436.20 10.85 10 5 -9 3.07 1.26 10 5 -9 4.32 1.89 -10 -5 9 7.00 1.73 10 5 -9 5.42 1.65 10 5 -8 17.69 3.07 10 5 -8 18.39 2.28 -10 -5 8 17.22 1.97 10 5 -8 20.12 1.97 10 5 -7 31.13 4.87 10 5 -7 30.89 2.52 -10 -5 7 26.49 2.12 10 5 -7 29.87 2.20 10 5 -6 38.20 5.90 10 5 -6 35.69 2.67 -10 -5 6 37.89 2.44 10 5 -6 37.10 2.36 10 5 -5 38.99 5.97 10 5 -5 34.12 2.59 -10 -5 5 37.10 2.44 10 5 -5 36.24 2.36 10 5 -4 29.71 4.80 10 5 -4 29.87 2.44 -10 -5 4 29.95 2.12 10 5 -4 27.51 2.12 10 5 -3 2.04 1.41 10 5 -3 3.38 1.49 -10 -5 3 5.35 1.49 10 5 -3 3.30 1.49 -10 -5 2 2.52 1.49 10 5 -2 1.73 1.49 10 5 -1 190.86 27.43 10 5 -1 182.14 7.00 -10 -5 1 198.88 5.74 10 5 -1 199.98 5.74 10 5 0 -0.71 1.18 10 5 0 0.71 1.34 -10 -5 0 0.47 1.41 10 5 0 0.00 1.41 10 5 1 -0.71 1.26 10 5 1 0.24 1.34 -10 -5 -1 -0.24 1.26 10 5 1 3.30 1.49 10 5 2 0.86 1.34 10 5 2 4.17 1.34 10 5 3 -1.02 1.26 10 5 3 0.79 1.26 -10 -5 -3 -0.08 1.34 10 5 3 -3.07 1.26 -10 -5 -4 72.95 11.16 10 5 4 63.04 9.51 10 5 4 60.53 3.14 -10 -5 -4 56.52 2.75 10 5 4 59.66 2.75 10 5 5 6.68 1.89 10 5 5 7.23 1.41 -10 -5 -5 8.49 1.41 10 5 5 5.82 0.94 10 5 5 6.52 1.41 10 5 6 46.30 7.15 10 5 6 43.39 2.67 10 5 6 46.46 2.44 -10 -5 -7 20.36 4.32 10 5 7 10.53 2.28 10 5 7 11.40 1.57 -10 -5 -7 13.68 1.73 10 5 7 11.79 1.57 -10 -5 -8 2.20 2.67 10 5 8 -1.18 1.02 10 5 8 -0.16 1.10 -10 -5 -8 -0.16 1.10 10 5 8 0.94 1.18 -10 -5 -9 -2.52 2.67 10 5 9 -0.63 1.18 10 5 9 -0.63 1.02 -10 -5 -9 -0.31 1.10 10 5 9 -0.39 1.10 -10 -5 -10 0.86 2.67 10 5 10 1.73 0.86 -10 -5 -10 -0.71 1.18 10 5 10 0.24 1.10 -10 -5 -11 3.07 1.26 -10 -5 -11 4.24 0.94 10 5 11 2.59 1.18 -10 -5 -12 6.21 1.10 -10 -5 -12 4.32 1.34 10 5 12 5.58 1.02 10 5 12 3.22 1.26 -10 -5 -13 0.24 0.71 -10 -5 -13 0.63 1.18 10 5 13 0.39 0.71 10 5 13 0.39 1.26 10 6 -29 15.33 1.89 10 6 -28 -1.89 1.26 10 6 -27 0.08 1.10 10 6 -26 0.08 1.10 -10 -6 26 -1.18 0.86 10 6 -26 -1.73 0.94 10 6 -26 2.04 1.34 10 6 -25 1.34 1.18 -10 -6 25 2.52 1.18 -10 -6 25 1.65 0.94 10 6 -25 2.83 1.34 10 6 -25 0.63 0.94 10 6 -24 4.80 1.41 -10 -6 24 4.72 1.10 -10 -6 24 6.37 1.34 10 6 -24 6.84 1.41 10 6 -24 4.48 1.02 10 6 -23 -0.79 1.34 -10 -6 23 0.79 1.10 10 6 -23 -0.39 0.79 10 6 -23 0.08 1.18 10 6 -22 5.90 1.57 -10 -6 22 5.97 1.41 10 6 -22 4.48 1.02 10 6 -22 6.13 1.41 10 6 -21 -0.39 1.34 -10 -6 21 3.22 1.34 10 6 -21 1.49 1.41 10 6 -20 130.57 18.63 10 6 -20 115.95 5.19 -10 -6 20 127.50 4.32 10 6 -20 126.72 4.48 10 6 -19 33.96 5.03 10 6 -19 28.30 2.36 -10 -6 19 28.30 1.97 -10 -6 19 27.20 2.12 10 6 -19 29.56 2.04 10 6 -19 30.50 2.28 10 6 -18 9.59 1.73 10 6 -18 9.28 1.89 -10 -6 18 2.52 1.49 10 6 -18 7.31 1.65 10 6 -17 1.65 0.79 10 6 -17 3.30 1.73 -10 -6 17 2.12 1.41 10 6 -17 2.36 0.94 10 6 -17 0.31 1.49 10 6 -16 20.36 3.22 10 6 -16 23.90 2.36 -10 -6 16 22.64 1.97 10 6 -16 23.27 2.12 10 6 -15 14.15 2.36 10 6 -15 14.31 2.04 -10 -6 15 12.97 1.73 10 6 -15 11.08 1.81 10 6 -14 23.43 3.69 -10 -6 14 22.40 1.81 10 6 -14 17.14 2.36 10 6 -13 9.75 1.97 -10 -6 13 11.95 1.41 -10 -6 13 10.38 1.26 10 6 -13 10.69 1.18 10 6 -11 130.41 18.79 10 6 -11 126.95 5.42 -10 -6 11 130.49 4.32 10 6 -11 134.97 4.48 10 6 -10 7.23 1.57 10 6 -10 8.57 1.97 -10 -6 10 7.23 1.81 10 6 -10 12.34 1.81 10 6 -9 2.36 1.18 10 6 -9 2.99 1.81 -10 -6 9 0.24 1.65 10 6 -9 3.46 1.65 10 6 -8 -1.41 1.02 10 6 -8 3.14 1.81 -10 -6 8 1.10 1.65 10 6 -8 -0.71 1.57 10 6 -7 67.05 9.90 10 6 -7 66.42 3.62 -10 -6 7 61.55 2.99 10 6 -7 61.55 2.91 10 6 -6 37.65 5.90 10 6 -6 40.48 2.83 -10 -6 6 37.26 2.44 10 6 -6 39.54 2.44 10 6 -5 79.47 11.71 10 6 -5 87.88 4.17 -10 -6 5 88.91 3.46 10 6 -5 87.96 3.38 10 6 -4 141.97 20.52 10 6 -4 155.88 6.21 -10 -6 4 142.05 4.56 10 6 -4 141.57 4.56 10 6 -3 62.89 9.43 10 6 -3 61.79 3.46 -10 -6 3 60.21 2.75 10 6 -3 57.86 2.75 10 6 -2 60.53 3.46 -10 -6 2 60.37 2.83 -10 -6 2 59.11 2.52 10 6 -2 54.63 2.67 10 6 -2 50.62 2.67 10 6 -1 46.30 7.15 10 6 -1 45.51 2.83 10 6 0 13.28 2.67 10 6 0 13.91 1.89 10 6 1 43.08 2.75 -10 -6 -1 43.08 2.75 10 6 1 42.61 2.52 10 6 2 8.80 2.20 10 6 2 5.27 1.49 -10 -6 -2 5.74 1.41 10 6 2 6.45 1.41 10 6 3 15.64 2.99 10 6 3 14.78 1.81 -10 -6 -3 15.41 1.65 10 6 4 -0.55 1.18 10 6 4 1.41 1.26 -10 -6 -4 -1.02 1.34 10 6 4 2.36 1.34 10 6 5 15.01 2.91 10 6 5 19.18 1.89 -10 -6 -5 19.18 1.89 10 6 5 18.08 1.73 -10 -6 -6 5.58 2.91 10 6 6 4.24 1.57 10 6 6 4.32 1.34 -10 -6 -6 1.18 1.34 10 6 6 2.99 1.26 -10 -6 -7 14.15 3.62 10 6 7 10.22 2.28 10 6 7 10.53 1.49 -10 -6 -7 9.75 1.49 10 6 7 11.48 1.49 -10 -6 -8 -1.65 2.59 10 6 8 0.39 1.10 10 6 8 -0.16 1.02 -10 -6 -8 -0.55 1.10 10 6 8 -0.79 1.10 -10 -6 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6 11.40 1.65 11 4 -6 13.13 1.89 11 4 -5 22.09 3.69 11 4 -5 19.10 2.12 -11 -4 5 20.12 1.97 11 4 -5 21.07 2.04 11 4 -4 117.60 17.06 11 4 -4 131.67 5.42 -11 -4 4 121.92 4.09 11 4 -4 123.18 4.17 11 4 -3 1.73 1.26 11 4 -3 -0.86 1.41 -11 -4 3 0.08 1.41 11 4 -3 0.63 1.57 11 4 -2 2.67 1.34 11 4 -2 -0.55 1.49 11 4 -2 1.57 0.71 11 4 -1 2.52 1.41 11 4 -1 1.10 1.41 -11 -4 1 1.49 0.71 11 4 -1 0.31 0.71 11 4 0 7.63 1.65 -11 -4 0 7.00 1.57 11 4 0 11.48 1.57 11 4 1 3.07 1.34 11 4 1 0.94 1.41 -11 -4 -1 0.63 1.26 11 4 1 -0.08 1.26 11 4 2 10.14 1.65 -11 -4 -2 10.06 1.57 -11 -4 -2 11.01 1.26 11 4 2 11.87 1.49 11 4 3 20.75 3.62 11 4 3 27.83 2.28 -11 -4 -3 25.63 2.04 11 4 3 29.16 2.12 11 4 4 1.10 1.26 11 4 4 8.18 1.57 -11 -4 -4 9.75 1.57 11 4 4 7.23 1.49 11 4 4 6.29 1.02 11 4 5 -0.16 1.18 11 4 5 5.11 1.34 -11 -4 -5 2.36 0.79 -11 -4 -5 3.93 1.34 11 4 5 4.56 0.94 11 4 5 2.67 1.26 -11 -4 -6 1.26 2.83 11 4 6 -0.71 1.18 11 4 6 -0.55 1.10 -11 -4 -6 0.79 0.63 -11 -4 -6 0.94 1.26 11 4 6 -1.18 1.26 -11 -4 -7 -0.16 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11 6 -10 25.00 2.44 -11 -6 10 28.61 2.20 11 6 -10 24.53 2.12 11 6 -9 2.99 1.26 11 6 -9 3.69 1.81 -11 -6 9 5.11 1.73 11 6 -9 -0.47 1.49 11 6 -8 69.02 10.22 11 6 -8 76.25 3.93 -11 -6 8 74.76 3.22 11 6 -8 77.35 3.22 11 6 -7 4.87 1.57 -11 -6 7 5.74 1.65 11 6 -7 3.07 1.57 11 6 -6 14.86 2.83 -11 -6 6 19.26 2.04 11 6 -6 21.85 1.97 11 6 -5 47.48 7.31 -11 -6 5 46.46 2.52 11 6 -5 48.97 2.59 11 6 -4 2.44 1.41 -11 -6 4 0.55 0.86 -11 -6 4 0.86 1.34 11 6 -4 2.75 1.41 11 6 -4 1.26 0.79 11 6 -3 18.87 3.38 11 6 -3 15.25 2.12 -11 -6 3 22.01 1.57 -11 -6 3 16.51 1.81 11 6 -3 21.46 1.89 11 6 -3 21.62 1.65 11 6 -2 130.41 18.94 11 6 -2 116.89 5.11 -11 -6 2 126.48 4.32 11 6 -2 124.83 4.17 11 6 -1 2.36 1.57 -11 -6 1 4.64 1.49 11 6 -1 4.40 1.49 11 6 0 7.31 2.04 11 6 0 5.50 1.65 -11 -6 0 7.00 1.65 -11 -6 0 7.55 1.10 11 6 0 6.05 1.57 11 6 1 4.48 1.65 11 6 1 4.56 1.57 -11 -6 -1 5.97 0.94 -11 -6 -1 6.13 1.34 11 6 1 5.27 1.34 11 6 1 5.50 0.94 11 6 2 0.24 1.18 11 6 2 2.12 1.49 -11 -6 -2 0.55 0.71 -11 -6 -2 2.83 1.26 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18.47 1.41 12 6 -15 25.31 2.20 -12 -6 14 12.89 1.49 12 6 -14 12.66 1.97 -12 -6 14 11.32 1.26 -12 -6 14 13.91 1.81 12 6 -14 12.34 1.89 12 6 -13 4.80 1.34 -12 -6 13 4.64 1.10 12 6 -13 4.01 1.57 -12 -6 13 3.14 1.57 -12 -6 13 4.24 1.10 12 6 -13 3.62 0.86 12 6 -13 5.27 1.73 12 6 -12 13.44 2.52 -12 -6 12 10.22 1.34 12 6 -12 11.79 1.89 -12 -6 12 12.97 1.89 -12 -6 12 12.34 1.26 12 6 -12 10.93 1.18 12 6 -12 11.40 1.89 12 6 -11 0.08 0.94 -12 -6 11 -0.31 0.94 12 6 -11 -0.71 1.49 -12 -6 11 1.18 1.57 -12 -6 11 0.86 0.71 12 6 -11 0.79 1.57 12 6 -11 0.39 0.71 12 6 -10 16.82 2.99 -12 -6 10 13.91 1.49 12 6 -10 15.33 1.97 -12 -6 10 12.58 1.89 -12 -6 10 12.18 1.26 12 6 -10 12.81 1.26 12 6 -10 14.07 1.89 12 6 -9 1.02 1.10 12 6 -9 0.86 1.57 -12 -6 9 0.47 1.49 -12 -6 9 0.24 0.79 12 6 -9 0.08 0.71 12 6 -9 0.79 1.41 12 6 -8 -0.08 0.94 12 6 -8 -0.55 1.49 -12 -6 8 0.39 1.57 -12 -6 8 0.55 0.71 12 6 -8 -0.47 1.41 12 6 -8 0.39 0.71 12 6 -7 18.79 3.30 12 6 -7 19.97 2.12 -12 -6 7 19.89 1.97 -12 -6 7 21.22 1.57 12 6 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-18 7 9 2.52 0.79 18 -7 -9 2.75 1.10 18 -7 -9 2.28 0.86 -18 7 8 0.79 0.71 18 -7 -8 1.02 0.79 18 -7 -1 0.24 3.46 18 -6 -13 0.71 0.71 -18 6 12 0.08 0.86 -18 6 12 1.02 0.71 18 -6 -12 -0.55 0.63 18 -6 -12 -1.26 0.94 -18 6 11 -0.08 0.86 18 -6 -11 0.47 1.02 18 -6 -11 -0.39 0.71 -18 6 10 2.67 0.94 -18 6 10 1.26 0.94 -18 6 9 -0.24 0.63 18 -6 -9 0.24 0.79 -18 6 8 4.72 1.02 18 -6 -2 -3.07 3.54 18 -6 -1 2.36 4.09 18 -5 -14 7.07 1.02 18 -5 -14 4.24 1.18 -18 5 13 1.02 0.94 18 -5 -13 -0.39 1.02 -18 5 12 1.81 0.94 18 -5 -12 2.99 0.86 18 -5 -12 1.81 1.02 -18 5 11 -0.39 0.63 18 -5 -11 0.16 1.02 18 -5 -11 -0.63 0.63 -18 5 10 4.24 0.94 18 -5 -10 5.27 1.02 18 -5 -9 2.36 0.94 18 -5 -2 3.22 4.01 18 -5 -1 3.54 3.93 18 -4 -16 0.31 1.02 18 -4 -16 -0.31 0.63 -18 4 15 0.63 0.71 -18 4 15 -0.55 0.86 18 -4 -15 -0.08 1.10 18 -4 -15 1.10 0.71 -18 4 14 -0.39 0.94 18 -4 -14 0.39 0.71 18 -4 -14 -0.08 1.02 -18 4 13 2.75 0.79 18 -4 -13 3.22 0.86 18 -4 -13 4.80 1.18 -18 4 12 1.34 0.71 18 -4 -12 2.12 0.86 -18 4 11 2.52 0.86 18 -4 -11 2.12 0.86 18 -4 -3 -0.79 3.69 18 -4 -2 1.02 3.14 18 -4 -1 -1.10 2.75 18 -3 -17 1.34 0.63 -18 3 16 3.38 0.94 18 -3 -16 3.54 0.79 -18 3 15 0.47 0.79 18 -3 -15 -0.55 0.71 -18 3 14 0.24 0.71 18 -3 -14 0.55 0.79 -18 3 13 8.18 1.10 18 -3 -13 8.41 1.26 18 -3 -4 2.52 2.99 18 -3 -3 -2.59 2.75 18 -3 -2 -2.44 2.59 18 -3 -1 -0.63 2.52 18 -2 -4 0.08 2.67 18 -2 -3 0.08 2.52 18 -2 -2 3.07 2.52 18 -2 -1 -0.94 2.44 18 -1 -4 1.97 2.44 18 -1 -3 -1.49 2.36 18 -1 -2 -1.57 2.28 18 -1 -1 2.28 2.28 18 0 -4 -0.39 1.81 18 0 -3 1.18 1.41 18 0 -2 3.30 1.41 18 1 -3 1.10 1.10 0 0 0 0.00 0.00 _computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)' _computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)' _computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)' ; _shelx_hkl_checksum 31831 _olex2_submission_special_instructions 'No special instructions were received' loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, -y, -z' 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 F10 F 1.17759(11) 0.70676(10) 0.85681(7) 0.0499(3) Uani 1 1 d . . . . . F11 F 1.03368(10) 0.63275(10) 0.78461(7) 0.0470(3) Uani 1 1 d . . . . . F12 F 1.26173(10) 0.72482(10) 0.76322(8) 0.0510(3) Uani 1 1 d . . . . . F13 F 1.12808(11) 0.78795(9) 0.76376(7) 0.0493(3) Uani 1 1 d . . . . . F14 F 1.00748(11) 0.65528(11) 0.66536(7) 0.0541(4) Uani 1 1 d . . . . . F15 F 1.12452(14) 0.56787(10) 0.67024(8) 0.0586(4) Uani 1 1 d . . . . . F16 F 1.23538(13) 0.68131(13) 0.63135(9) 0.0641(4) Uani 1 1 d . . . . . F17 F 1.16085(13) 0.79911(10) 0.65449(7) 0.0546(4) Uani 1 1 d . . . . . F18 F 0.98977(12) 0.72197(11) 0.56249(7) 0.0542(4) Uani 1 1 d . . . . . F19 F 1.03716(16) 0.58450(11) 0.54712(8) 0.0669(5) Uani 1 1 d . . . . . F20 F 1.18078(18) 0.64932(15) 0.50286(10) 0.0847(6) Uani 1 1 d . . . . . F21 F 1.16334(12) 0.79451(12) 0.53347(8) 0.0589(4) Uani 1 1 d . . . . . F22 F 0.9744(2) 0.61207(13) 0.42543(9) 0.0918(7) Uani 1 1 d . . . . . F23 F 1.08225(18) 0.70727(14) 0.40436(9) 0.0780(5) Uani 1 1 d . . . . . F24 F 0.97617(13) 0.76139(12) 0.44870(8) 0.0626(4) Uani 1 1 d . . . . . F25 F 0.82248(11) 0.87715(11) 0.81820(7) 0.0508(3) Uani 1 1 d . . . . . F26 F 0.92651(11) 0.79009(9) 0.79064(6) 0.0454(3) Uani 1 1 d . . . . . F27 F 1.04487(11) 0.96397(11) 0.79006(7) 0.0519(3) Uani 1 1 d . . . . . F28 F 0.91060(13) 1.02594(10) 0.79280(7) 0.0525(4) Uani 1 1 d . . . . . F29 F 0.79864(11) 0.85755(10) 0.69191(7) 0.0506(3) Uani 1 1 d . . . . . F30 F 0.94769(12) 0.84276(11) 0.68318(7) 0.0536(4) Uani 1 1 d . . . . . F31 F 0.97273(14) 1.04307(12) 0.68746(8) 0.0703(5) Uani 1 1 d . . . . . F32 F 0.80947(14) 1.02413(12) 0.67110(8) 0.0623(4) Uani 1 1 d . . . . . F33 F 0.80275(13) 0.85493(10) 0.57301(7) 0.0576(4) Uani 1 1 d . . . . . F34 F 0.95507(14) 0.92597(16) 0.58285(8) 0.0754(5) Uani 1 1 d . . . . . F35 F 0.8569(5) 1.0937(3) 0.5759(3) 0.0572(12) Uani 0.658(18) 1 d D . P A 1 F35A F 0.8963(14) 1.0761(9) 0.5652(5) 0.078(4) Uani 0.342(18) 1 d D . P A 2 F36 F 0.7159(5) 0.9943(5) 0.5478(4) 0.0511(12) Uani 0.658(18) 1 d D . P A 1 F36A F 0.7362(15) 1.0130(16) 0.5463(10) 0.094(5) Uani 0.342(18) 1 d D . P A 2 F37 F 0.7914(6) 0.8845(5) 0.4571(3) 0.0684(15) Uani 0.658(18) 1 d D . P A 1 F37A F 0.756(2) 0.8727(11) 0.4523(8) 0.137(8) Uani 0.342(18) 1 d D . P A 2 F38 F 0.9045(3) 1.0094(5) 0.4776(2) 0.0755(18) Uani 0.658(18) 1 d D . P A 1 F38A F 0.9028(11) 0.947(2) 0.4646(6) 0.146(7) Uani 0.342(18) 1 d D . P A 2 F39 F 0.7480(4) 1.0160(5) 0.4444(3) 0.0555(13) Uani 0.658(18) 1 d D . P A 1 F39A F 0.7727(18) 1.0108(12) 0.4377(8) 0.119(6) Uani 0.342(18) 1 d D . P A 2 F40 F 0.4382(9) 0.6484(4) 0.74152(17) 0.0505(17) Uani 0.62(3) 1 d D . P B 1 F40A F 0.4920(18) 0.6407(4) 0.7457(3) 0.057(4) Uani 0.38(3) 1 d D . P B 2 F41 F 0.6055(9) 0.6780(7) 0.7681(3) 0.054(2) Uani 0.62(3) 1 d D . P B 1 F41A F 0.6505(12) 0.7181(14) 0.7833(5) 0.057(3) Uani 0.38(3) 1 d D . P B 2 F42 F 0.59602(11) 0.86860(10) 0.76200(7) 0.0486(3) Uani 1 1 d . . . . . F43 F 0.43206(10) 0.82504(10) 0.73669(7) 0.0468(3) Uani 1 1 d . . . . . F44 F 0.44348(12) 0.68065(10) 0.63681(7) 0.0517(4) Uani 1 1 d . . . . . F45 F 0.60507(12) 0.74144(12) 0.66262(7) 0.0546(4) Uani 1 1 d . . . . . F46 F 0.5379(2) 0.91683(14) 0.65117(10) 0.0481(5) Uani 0.752(3) 1 d D . P C 1 F46A F 0.5820(6) 0.8893(6) 0.6348(4) 0.0607(19) Uani 0.248(3) 1 d D . P C 2 F47 F 0.38316(19) 0.8365(2) 0.61303(13) 0.0511(6) Uani 0.752(3) 1 d D . P C 1 F47A F 0.4257(7) 0.8749(6) 0.6335(4) 0.055(2) Uani 0.248(3) 1 d D . P C 2 F48 F 0.4679(3) 0.7078(3) 0.5314(2) 0.0533(9) Uani 0.752(3) 1 d D . P C 1 F48A F 0.3598(5) 0.7384(4) 0.5301(3) 0.0566(17) Uani 0.248(3) 1 d D . P C 2 F49 F 0.59546(14) 0.82558(14) 0.56138(9) 0.0468(5) Uani 0.752(3) 1 d D . P C 1 F49A F 0.5096(9) 0.7102(11) 0.5355(8) 0.063(4) Uani 0.248(3) 1 d D . P C 2 F50 F 0.4492(3) 0.9389(4) 0.5275(3) 0.0472(10) Uani 0.752(3) 1 d D . P C 1 F50A F 0.5674(5) 0.8694(5) 0.5089(4) 0.068(2) Uani 0.248(3) 1 d D . P C 2 F51 F 0.33389(14) 0.81359(18) 0.48869(10) 0.0585(6) Uani 0.752(3) 1 d D . P C 1 F51A F 0.4426(18) 0.9299(16) 0.5284(12) 0.106(8) Uani 0.248(3) 1 d D . P C 2 F52 F 0.4333(7) 0.7392(5) 0.4104(4) 0.064(2) Uani 0.752(3) 1 d D . P C 1 F52A F 0.443(2) 0.7318(16) 0.4126(12) 0.058(6) Uani 0.248(3) 1 d D . P C 2 F53 F 0.55271(15) 0.86536(14) 0.44690(9) 0.0489(5) Uani 0.752(3) 1 d D . P C 1 F53A F 0.4274(15) 0.8694(13) 0.3982(11) 0.074(5) Uani 0.248(3) 1 d D . P C 2 F54 F 0.3973(5) 0.8750(5) 0.4016(4) 0.0665(13) Uani 0.752(3) 1 d D . P C 1 F54A F 0.3082(5) 0.7922(5) 0.4217(3) 0.0622(18) Uani 0.248(3) 1 d D . P C 2 F55 F 0.46156(10) 0.46114(10) 0.64864(7) 0.0466(3) Uani 1 1 d . . . . . F56 F 0.31123(12) 0.47786(10) 0.65528(7) 0.0493(3) Uani 1 1 d . . . . . F57 F 0.2144(2) 0.3516(2) 0.54714(19) 0.0475(7) Uani 0.778(2) 1 d D . P D 1 F57A F 0.2384(10) 0.3180(8) 0.5441(6) 0.059(3) Uani 0.222(2) 1 d D . P D 2 F58 F 0.3551(3) 0.3024(3) 0.5433(2) 0.0489(8) Uani 0.778(2) 1 d D . P D 1 F58A F 0.3938(11) 0.3274(10) 0.5470(7) 0.059(4) Uani 0.222(2) 1 d D . P D 2 F59 F 0.42999(14) 0.46073(18) 0.52293(10) 0.0537(5) Uani 0.778(2) 1 d D . P D 1 F59A F 0.3931(8) 0.5192(5) 0.5441(3) 0.062(3) Uani 0.222(2) 1 d D . P D 2 F60 F 0.3157(2) 0.53373(13) 0.54941(9) 0.0503(5) Uani 0.778(2) 1 d D . P D 1 F60A F 0.2340(7) 0.4878(6) 0.5269(4) 0.061(2) Uani 0.222(2) 1 d D . P D 2 F61 F 0.16813(13) 0.43409(14) 0.44927(9) 0.0485(5) Uani 0.778(2) 1 d D . P D 1 F61A F 0.231(2) 0.3276(15) 0.4260(15) 0.088(10) Uani 0.222(2) 1 d D . P D 2 F62 F 0.2583(6) 0.3304(3) 0.4273(4) 0.0528(9) Uani 0.778(2) 1 d D . P D 1 F62A F 0.3844(6) 0.3887(6) 0.4421(4) 0.062(2) Uani 0.222(2) 1 d D . P D 2 F63 F 0.37879(13) 0.44888(14) 0.39550(9) 0.0486(5) Uani 0.778(2) 1 d D . P D 1 F63A F 0.3230(16) 0.5616(13) 0.4338(8) 0.078(8) Uani 0.222(2) 1 d D . P D 2 F64 F 0.3214(4) 0.5691(2) 0.4355(2) 0.0456(13) Uani 0.778(2) 1 d D . P D 1 F64A F 0.1667(5) 0.4906(5) 0.4036(3) 0.0530(17) Uani 0.222(2) 1 d D . P D 2 F65 F 0.13709(14) 0.50942(14) 0.35015(9) 0.0483(5) Uani 0.778(2) 1 d D . P D 1 F65A F 0.2049(11) 0.3573(10) 0.3103(9) 0.056(4) Uani 0.222(2) 1 d D . P D 2 F66 F 0.1752(3) 0.3733(3) 0.3155(3) 0.0462(8) Uani 0.778(2) 1 d D . P D 1 F66A F 0.3565(5) 0.4393(5) 0.3355(3) 0.0583(19) Uani 0.222(2) 1 d D . P D 2 F67 F 0.31516(18) 0.45979(18) 0.27320(10) 0.0661(6) Uani 0.778(2) 1 d D . P D 1 F67A F 0.275(2) 0.5909(14) 0.3114(11) 0.102(9) Uani 0.222(2) 1 d D . P D 2 F68 F 0.2916(5) 0.5950(3) 0.3134(3) 0.0632(13) Uani 0.778(2) 1 d D . P D 1 F68A F 0.1270(7) 0.5197(8) 0.2867(4) 0.084(3) Uani 0.222(2) 1 d D . P D 2 F69 F 0.16702(18) 0.49559(19) 0.23999(12) 0.0581(6) Uani 0.778(2) 1 d D . P D 1 F69A F 0.2203(10) 0.4663(6) 0.2312(4) 0.076(3) Uani 0.222(2) 1 d D . P D 2 O115 O 1.27037(12) 0.55807(12) 0.80935(9) 0.0455(4) Uani 1 1 d . . . . . O215 O 0.99949(16) 0.99337(13) 0.91509(9) 0.0592(5) Uani 1 1 d . . . . . O315 O 0.60248(13) 0.82036(13) 0.87794(8) 0.0493(4) Uani 1 1 d . . . . . O415 O 0.27744(13) 0.29555(12) 0.66634(8) 0.0450(4) Uani 1 1 d . . . . . N101 N 0.81151(13) 0.38332(13) 0.84684(9) 0.0327(4) Uani 1 1 d . . . . . H101 H 0.812(3) 0.435(3) 0.8753(17) 0.081(11) Uiso 1 1 d . . . . . N113 N 1.10895(15) 0.48078(13) 0.79345(10) 0.0378(4) Uani 1 1 d . . . . . H113 H 1.056(2) 0.489(2) 0.7881(14) 0.049(8) Uiso 1 1 d . . . . . N201 N 0.97048(13) 0.54450(12) 0.92384(9) 0.0337(4) Uani 1 1 d . . . . . N213 N 1.03773(15) 0.84670(14) 0.91240(9) 0.0369(4) Uani 1 1 d . . . . . H213 H 1.018(2) 0.792(2) 0.8915(14) 0.052(8) Uiso 1 1 d . . . . . N301 N 0.81906(14) 0.64941(13) 0.95286(9) 0.0345(4) Uani 1 1 d . . . . . H301 H 0.817(3) 0.596(3) 0.934(2) 0.096(14) Uiso 1 1 d . . . . . N313 N 0.47110(15) 0.70062(14) 0.86096(10) 0.0375(4) Uani 1 1 d . . . . . H313 H 0.431(2) 0.663(2) 0.8381(14) 0.048(8) Uiso 1 1 d . . . . . N401 N 0.66049(13) 0.48709(12) 0.88038(8) 0.0333(4) Uani 1 1 d . . . . . N413 N 0.45103(15) 0.30995(14) 0.69443(9) 0.0374(4) Uani 1 1 d . . . . . H413 H 0.501(2) 0.343(2) 0.6983(13) 0.044(7) Uiso 1 1 d . . . . . C10 C 1.13620(17) 0.64824(17) 0.79717(12) 0.0417(5) Uani 1 1 d . . . . . C11 C 1.16010(18) 0.70517(16) 0.75080(12) 0.0425(5) Uani 1 1 d . . . . . C12 C 1.10805(19) 0.65735(17) 0.67900(12) 0.0441(5) Uani 1 1 d . . . . . C13 C 1.1454(2) 0.70550(17) 0.63219(13) 0.0472(5) Uani 1 1 d . . . . . C14 C 1.0694(2) 0.67777(17) 0.56306(13) 0.0487(6) Uani 1 1 d . . . . . C15 C 1.1135(2) 0.7049(2) 0.51173(14) 0.0559(7) Uani 1 1 d . . . . . C16 C 1.0337(3) 0.6955(2) 0.44637(15) 0.0627(8) Uani 1 1 d . . . . . C20 C 0.91919(18) 0.87851(16) 0.81806(11) 0.0401(5) Uani 1 1 d . . . . . C21 C 0.94284(18) 0.94484(16) 0.77689(11) 0.0404(5) Uani 1 1 d . . . . . C22 C 0.89295(18) 0.90387(16) 0.70356(11) 0.0409(5) Uani 1 1 d . . . . . C23 C 0.8857(2) 0.97925(17) 0.66387(12) 0.0460(5) Uani 1 1 d . . . . . C24 C 0.8652(2) 0.93777(18) 0.59133(12) 0.0469(5) Uani 1 1 d D . . . . C25 C 0.8133(6) 1.0025(5) 0.5498(3) 0.044(2) Uani 0.658(18) 1 d D . P A 1 C25A C 0.8266(14) 0.9957(10) 0.5435(7) 0.069(8) Uani 0.342(18) 1 d D . P A 2 C26 C 0.8140(5) 0.9762(8) 0.4803(4) 0.057(2) Uani 0.658(18) 1 d D . P A 1 C26A C 0.8154(12) 0.9559(15) 0.4730(7) 0.072(7) Uani 0.342(18) 1 d D . P A 2 C30 C 0.5231(9) 0.7159(5) 0.7712(3) 0.0358(17) Uani 0.62(3) 1 d D . P B 1 C30A C 0.5533(13) 0.7263(10) 0.7770(6) 0.044(4) Uani 0.38(3) 1 d D . P B 2 C31 C 0.51893(17) 0.79525(15) 0.73431(11) 0.0376(5) Uani 1 1 d D . . . . C32 C 0.51303(18) 0.75981(16) 0.66334(11) 0.0401(5) Uani 1 1 d D . . . . C33 C 0.4826(4) 0.8307(3) 0.62127(16) 0.0321(11) Uani 0.752(3) 1 d D . P C 1 C33A C 0.4948(12) 0.8247(12) 0.6174(8) 0.089(11) Uani 0.248(3) 1 d D . P C 2 C34 C 0.4960(3) 0.8006(4) 0.5544(3) 0.0402(11) Uani 0.752(3) 1 d D . P C 1 C34A C 0.4577(10) 0.7786(12) 0.5451(8) 0.050(4) Uani 0.248(3) 1 d D . P C 2 C35 C 0.4329(4) 0.8476(5) 0.5032(3) 0.0433(11) Uani 0.752(3) 1 d D . P C 1 C35A C 0.4678(10) 0.8465(15) 0.5051(12) 0.051(5) Uani 0.248(3) 1 d D . P C 2 C36 C 0.4560(3) 0.8316(3) 0.4389(2) 0.0488(10) Uani 0.752(3) 1 d D . P C 1 C36A C 0.4075(10) 0.8056(11) 0.4313(7) 0.058(4) Uani 0.248(3) 1 d D . P C 2 C40 C 0.36418(17) 0.41552(16) 0.63458(11) 0.0376(5) Uani 1 1 d D . . . . C41 C 0.3159(4) 0.3778(4) 0.56076(15) 0.0319(15) Uani 0.778(2) 1 d D . P D 1 C41A C 0.3260(14) 0.3837(16) 0.5610(8) 0.069(11) Uani 0.222(2) 1 d D . P D 2 C42 C 0.3322(5) 0.4519(4) 0.52147(19) 0.0340(12) Uani 0.778(2) 1 d D . P D 1 C42A C 0.3129(13) 0.4456(14) 0.5208(9) 0.057(9) Uani 0.222(2) 1 d D . P D 2 C43 C 0.2628(3) 0.4208(3) 0.45035(18) 0.0357(9) Uani 0.778(2) 1 d D . P D 1 C43A C 0.2978(10) 0.4102(11) 0.4494(7) 0.051(5) Uani 0.222(2) 1 d D . P D 2 C44 C 0.2958(4) 0.4780(3) 0.40653(19) 0.0358(9) Uani 0.778(2) 1 d D . P D 1 C44A C 0.2600(10) 0.4755(13) 0.4048(7) 0.048(5) Uani 0.222(2) 1 d D . P D 2 C45 C 0.2128(3) 0.4651(2) 0.34112(16) 0.0389(7) Uani 0.778(2) 1 d D . P D 1 C45A C 0.2611(9) 0.4444(7) 0.3362(5) 0.044(3) Uani 0.222(2) 1 d D . P D 2 C46 C 0.2472(6) 0.5050(4) 0.2908(2) 0.0438(12) Uani 0.778(2) 1 d D . P D 1 C46A C 0.2204(15) 0.5042(14) 0.2898(8) 0.070(11) Uani 0.222(2) 1 d D . P D 2 C102 C 0.72479(16) 0.31971(14) 0.81018(10) 0.0323(4) Uani 1 1 d . . . . . C103 C 0.75259(16) 0.24619(15) 0.76988(10) 0.0340(4) Uani 1 1 d . . . . . H103 H 0.708325 0.193669 0.740287 0.041 Uiso 1 1 calc R . . . . C104 C 0.85513(16) 0.26709(15) 0.78273(10) 0.0344(4) Uani 1 1 d . . . . . H104 H 0.893713 0.232017 0.762954 0.041 Uiso 1 1 calc R . . . . C105 C 0.89339(16) 0.35266(14) 0.83208(10) 0.0327(4) Uani 1 1 d . . . . . C106 C 0.99595(16) 0.39665(14) 0.86205(10) 0.0338(4) Uani 1 1 d . . . . . C107 C 1.07411(15) 0.34989(15) 0.84013(10) 0.0338(4) Uani 1 1 d . . . . . C108 C 1.09143(17) 0.26236(15) 0.85055(11) 0.0380(5) Uani 1 1 d . . . . . H108 H 1.055500 0.232899 0.872646 0.046 Uiso 1 1 calc R . . . . C109 C 1.16179(18) 0.21826(16) 0.82838(12) 0.0425(5) Uani 1 1 d . . . . . H109 H 1.173347 0.160041 0.836117 0.051 Uiso 1 1 calc R . . . . C110 C 1.21461(17) 0.26116(17) 0.79476(12) 0.0430(5) Uani 1 1 d . . . . . H110 H 1.261073 0.231250 0.779511 0.052 Uiso 1 1 calc R . . . . C111 C 1.19868(18) 0.34831(17) 0.78370(12) 0.0424(5) Uani 1 1 d . . . . . H111 H 1.234460 0.376984 0.761193 0.051 Uiso 1 1 calc R . . . . C112 C 1.12947(16) 0.39252(15) 0.80621(11) 0.0361(4) Uani 1 1 d . . . . . C114 C 1.17964(17) 0.55538(16) 0.79944(11) 0.0391(5) Uani 1 1 d . . . . . C202 C 1.03115(16) 0.48353(15) 0.90809(11) 0.0354(4) Uani 1 1 d . . . . . C203 C 1.13766(16) 0.52605(16) 0.94040(11) 0.0385(5) Uani 1 1 d . . . . . H203 H 1.193675 0.497861 0.939081 0.046 Uiso 1 1 calc R . . . . C204 C 1.14017(17) 0.61457(16) 0.97288(11) 0.0377(5) Uani 1 1 d . . . . . H204 H 1.198269 0.659279 0.997689 0.045 Uiso 1 1 calc R . . . . C205 C 1.03478(16) 0.62654(15) 0.96161(10) 0.0346(4) Uani 1 1 d . . . . . C206 C 1.00380(16) 0.71083(15) 0.98295(10) 0.0333(4) Uani 1 1 d . . . . . C207 C 1.08425(15) 0.79877(14) 1.01312(10) 0.0332(4) Uani 1 1 d . . . . . C208 C 1.14311(16) 0.81945(15) 1.07736(10) 0.0362(4) Uani 1 1 d . . . . . H208 H 1.134480 0.776932 1.101771 0.043 Uiso 1 1 calc R . . . . C209 C 1.21462(17) 0.90259(16) 1.10569(11) 0.0391(5) Uani 1 1 d . . . . . H209 H 1.251610 0.916385 1.149115 0.047 Uiso 1 1 calc R . . . . C210 C 1.23098(17) 0.96499(16) 1.06945(11) 0.0397(5) Uani 1 1 d . . . . . H210 H 1.279963 1.019965 1.088229 0.048 Uiso 1 1 calc R . . . . C211 C 1.17419(17) 0.94524(16) 1.00522(11) 0.0386(5) Uani 1 1 d . . . . . H211 H 1.185682 0.986393 0.980488 0.046 Uiso 1 1 calc R . . . . C212 C 1.10006(16) 0.86393(15) 0.97776(10) 0.0350(4) Uani 1 1 d . . . . . C214 C 0.99138(18) 0.91250(16) 0.88775(11) 0.0409(5) Uani 1 1 d . . . . . C302 C 0.90307(16) 0.72039(15) 0.97786(10) 0.0340(4) Uani 1 1 d . . . . . C303 C 0.87138(17) 0.80595(15) 1.00185(11) 0.0371(4) Uani 1 1 d . . . . . H303 H 0.912562 0.865418 1.020020 0.045 Uiso 1 1 calc R . . . . C304 C 0.77004(17) 0.78349(15) 0.99294(11) 0.0377(5) Uani 1 1 d . . . . . H304 H 0.729358 0.824807 1.004800 0.045 Uiso 1 1 calc R . . . . C305 C 0.73674(16) 0.68531(15) 0.96218(10) 0.0343(4) Uani 1 1 d . . . . . C306 C 0.63632(16) 0.63518(15) 0.94331(10) 0.0335(4) Uani 1 1 d . . . . . C307 C 0.56154(16) 0.68385(14) 0.96731(11) 0.0348(4) Uani 1 1 d . . . . . C308 C 0.57144(19) 0.70049(16) 1.03226(11) 0.0423(5) Uani 1 1 d . . . . . H308 H 0.625809 0.683182 1.060201 0.051 Uiso 1 1 calc R . . . . C309 C 0.5013(2) 0.74249(17) 1.05574(12) 0.0468(6) Uani 1 1 d . . . . . H309 H 0.509320 0.753599 1.099220 0.056 Uiso 1 1 calc R . . . . C310 C 0.4195(2) 0.76790(17) 1.01478(13) 0.0471(6) Uani 1 1 d . . . . . H310 H 0.371425 0.794208 1.030384 0.056 Uiso 1 1 calc R . . . . C311 C 0.40960(17) 0.75400(16) 0.95041(12) 0.0424(5) Uani 1 1 d . . . . . H311 H 0.355578 0.772182 0.922775 0.051 Uiso 1 1 calc R . . . . C312 C 0.48052(16) 0.71285(15) 0.92730(11) 0.0352(4) Uani 1 1 d . . . . . C314 C 0.53825(17) 0.75377(16) 0.84364(11) 0.0385(5) Uani 1 1 d D . . . . C402 C 0.60185(16) 0.54209(15) 0.90502(10) 0.0338(4) Uani 1 1 d . . . . . C403 C 0.49717(16) 0.49232(15) 0.88388(10) 0.0350(4) Uani 1 1 d . . . . . H403 H 0.442752 0.514502 0.894235 0.042 Uiso 1 1 calc R . . . . C404 C 0.49388(16) 0.40783(15) 0.84638(10) 0.0342(4) Uani 1 1 d . . . . . H404 H 0.436417 0.360556 0.825605 0.041 Uiso 1 1 calc R . . . . C405 C 0.59677(15) 0.40398(15) 0.84430(10) 0.0330(4) Uani 1 1 d . . . . . C406 C 0.62480(15) 0.32629(14) 0.81070(10) 0.0322(4) Uani 1 1 d . . . . . C407 C 0.54520(16) 0.23857(15) 0.77705(10) 0.0332(4) Uani 1 1 d . . . . . C408 C 0.55480(17) 0.15869(15) 0.80153(11) 0.0364(4) Uani 1 1 d . . . . . H408 H 0.610308 0.161537 0.837349 0.044 Uiso 1 1 calc R . . . . C409 C 0.48411(19) 0.07564(16) 0.77398(12) 0.0423(5) Uani 1 1 d . . . . . H409 H 0.491765 0.023499 0.791277 0.051 Uiso 1 1 calc R . . . . C410 C 0.40205(19) 0.07080(16) 0.72057(12) 0.0451(5) Uani 1 1 d . . . . . H410 H 0.354011 0.015163 0.701963 0.054 Uiso 1 1 calc R . . . . C411 C 0.39058(18) 0.14797(16) 0.69443(12) 0.0422(5) Uani 1 1 d . . . . . H411 H 0.335536 0.143950 0.658089 0.051 Uiso 1 1 calc R . . . . C412 C 0.46214(16) 0.23214(15) 0.72290(10) 0.0350(4) Uani 1 1 d . . . . . C414 C 0.36024(17) 0.33379(16) 0.66788(10) 0.0369(4) Uani 1 1 d . . . . . C501 C 0.3161(2) 0.9960(3) 0.87439(15) 0.0675(8) Uani 1 1 d . . . . . H50A H 0.307221 0.986229 0.829492 0.101 Uiso 1 1 calc GR . . . . H50B H 0.303961 1.057630 0.890405 0.101 Uiso 1 1 calc GR . . . . H50C H 0.268683 0.948998 0.880702 0.101 Uiso 1 1 calc GR . . . . C502 C 0.4246(2) 0.98836(19) 0.91011(12) 0.0502(6) Uani 1 1 d . . . . . H50D H 0.472099 1.034318 0.902052 0.060 Uiso 1 1 calc R . . . . H50E H 0.436424 0.926080 0.893469 0.060 Uiso 1 1 calc R . . . . C503 C 0.44630(18) 1.00464(17) 0.98213(12) 0.0436(5) Uani 1 1 d . . . . . H50F H 0.435619 1.067350 0.998834 0.052 Uiso 1 1 calc R . . . . H50G H 0.397917 0.959440 0.990101 0.052 Uiso 1 1 calc R . . . . 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 F10 0.0562(8) 0.0444(8) 0.0494(8) 0.0109(6) 0.0170(7) 0.0114(6) F11 0.0392(7) 0.0448(7) 0.0637(9) 0.0213(7) 0.0194(6) 0.0125(6) F12 0.0388(7) 0.0524(8) 0.0652(9) 0.0263(7) 0.0153(6) 0.0053(6) F13 0.0562(8) 0.0375(7) 0.0561(8) 0.0132(6) 0.0181(7) 0.0131(6) F14 0.0408(7) 0.0647(9) 0.0544(9) 0.0217(7) 0.0108(6) 0.0005(7) F15 0.0865(12) 0.0397(8) 0.0557(9) 0.0167(7) 0.0275(8) 0.0160(7) F16 0.0567(9) 0.0823(12) 0.0741(11) 0.0383(9) 0.0339(8) 0.0279(8) F17 0.0666(9) 0.0406(8) 0.0550(9) 0.0152(7) 0.0181(7) 0.0015(7) F18 0.0511(8) 0.0616(9) 0.0531(9) 0.0193(7) 0.0170(7) 0.0134(7) F19 0.1035(14) 0.0390(8) 0.0549(9) 0.0120(7) 0.0241(9) 0.0030(8) F20 0.1218(17) 0.0936(14) 0.0872(13) 0.0508(12) 0.0674(13) 0.0719(13) F21 0.0556(9) 0.0599(9) 0.0678(10) 0.0296(8) 0.0218(8) 0.0072(7) F22 0.146(2) 0.0539(10) 0.0591(11) 0.0129(9) 0.0201(12) -0.0109(12) F23 0.1153(16) 0.0765(12) 0.0635(11) 0.0301(9) 0.0464(11) 0.0321(11) F24 0.0666(10) 0.0628(10) 0.0622(10) 0.0261(8) 0.0184(8) 0.0149(8) F25 0.0448(7) 0.0635(9) 0.0459(8) 0.0165(7) 0.0150(6) 0.0108(7) F26 0.0603(8) 0.0335(7) 0.0371(7) 0.0066(5) 0.0091(6) 0.0094(6) F27 0.0436(7) 0.0569(9) 0.0504(8) 0.0185(7) 0.0080(6) 0.0005(6) F28 0.0750(10) 0.0367(7) 0.0435(8) 0.0087(6) 0.0127(7) 0.0203(7) F29 0.0483(8) 0.0531(8) 0.0441(8) 0.0154(6) 0.0073(6) -0.0011(6) F30 0.0703(10) 0.0565(9) 0.0414(7) 0.0155(7) 0.0190(7) 0.0325(7) F31 0.0762(11) 0.0641(10) 0.0525(9) 0.0265(8) -0.0017(8) -0.0193(9) F32 0.0855(12) 0.0565(9) 0.0498(9) 0.0181(7) 0.0165(8) 0.0372(8) F33 0.0801(11) 0.0415(8) 0.0434(8) 0.0131(6) 0.0093(7) 0.0035(7) F34 0.0632(10) 0.1223(16) 0.0568(10) 0.0391(10) 0.0256(8) 0.0341(11) F35 0.069(2) 0.0450(18) 0.050(2) 0.0215(14) 0.0048(15) 0.0003(15) F35A 0.106(9) 0.056(5) 0.053(4) 0.021(3) 0.007(5) -0.019(5) F36 0.0475(18) 0.058(2) 0.051(2) 0.0259(17) 0.0107(15) 0.0146(15) F36A 0.115(12) 0.120(13) 0.083(7) 0.062(8) 0.043(8) 0.063(10) F37 0.107(4) 0.059(3) 0.041(2) 0.013(2) 0.019(2) 0.032(3) F37A 0.231(19) 0.072(6) 0.055(5) 0.025(4) -0.017(8) -0.028(9) F38 0.061(2) 0.118(4) 0.065(2) 0.051(2) 0.0271(15) 0.0195(19) F38A 0.170(11) 0.24(2) 0.077(6) 0.069(9) 0.069(6) 0.118(12) F39 0.062(2) 0.059(2) 0.040(2) 0.0206(17) 0.0029(14) 0.0069(14) F39A 0.225(17) 0.072(6) 0.055(5) 0.039(5) 0.025(9) 0.021(9) F40 0.071(4) 0.0360(15) 0.0382(14) 0.0049(10) 0.0173(17) -0.0065(18) F40A 0.091(11) 0.036(3) 0.041(2) 0.0069(19) 0.023(4) 0.004(3) F41 0.072(5) 0.061(4) 0.053(2) 0.027(2) 0.035(3) 0.041(4) F41A 0.062(5) 0.070(6) 0.054(3) 0.022(4) 0.028(3) 0.034(5) F42 0.0479(8) 0.0459(8) 0.0465(8) 0.0051(6) 0.0158(6) -0.0035(6) F43 0.0451(7) 0.0552(8) 0.0458(8) 0.0122(6) 0.0210(6) 0.0156(6) F44 0.0687(9) 0.0421(7) 0.0394(7) 0.0070(6) 0.0176(7) -0.0042(7) F45 0.0533(8) 0.0744(10) 0.0506(8) 0.0216(7) 0.0282(7) 0.0276(7) F46 0.0647(14) 0.0383(11) 0.0427(11) 0.0113(8) 0.0188(10) 0.0086(9) F46A 0.053(4) 0.061(5) 0.063(4) 0.026(4) 0.011(3) -0.007(3) F47 0.0431(13) 0.0767(19) 0.0442(14) 0.0245(13) 0.0190(11) 0.0228(11) F47A 0.071(6) 0.052(5) 0.042(4) 0.007(3) 0.016(4) 0.027(4) F48 0.075(2) 0.0431(18) 0.0409(13) 0.0044(11) 0.024(2) 0.0036(19) F48A 0.057(4) 0.054(4) 0.053(4) 0.006(3) 0.018(3) 0.000(3) F49 0.0390(9) 0.0621(12) 0.0457(10) 0.0202(9) 0.0182(8) 0.0108(8) F49A 0.092(9) 0.065(7) 0.059(6) 0.028(5) 0.047(8) 0.046(8) F50 0.0538(16) 0.055(2) 0.045(2) 0.0208(18) 0.0237(15) 0.0238(14) F50A 0.060(4) 0.080(5) 0.070(5) 0.030(4) 0.023(3) 0.004(3) F51 0.0388(10) 0.0932(16) 0.0463(11) 0.0270(11) 0.0139(8) 0.0051(10) F51A 0.192(18) 0.086(13) 0.060(11) 0.038(10) 0.048(11) 0.048(11) F52 0.069(3) 0.063(4) 0.049(3) 0.001(3) 0.020(2) -0.006(3) F52A 0.071(9) 0.079(12) 0.043(9) 0.023(8) 0.038(7) 0.027(8) F53 0.0493(10) 0.0585(12) 0.0446(11) 0.0165(9) 0.0227(8) 0.0067(9) F53A 0.109(14) 0.068(7) 0.047(5) 0.021(5) 0.033(9) -0.009(8) F54 0.063(2) 0.103(3) 0.045(2) 0.0331(17) 0.0211(15) 0.0240(19) F54A 0.055(4) 0.074(4) 0.054(4) 0.015(3) 0.013(3) 0.014(3) F55 0.0418(7) 0.0457(7) 0.0472(8) 0.0167(6) 0.0061(6) 0.0005(6) F56 0.0630(9) 0.0436(7) 0.0476(8) 0.0109(6) 0.0227(7) 0.0219(6) F57 0.0373(12) 0.0567(19) 0.0463(13) 0.0215(15) 0.0083(9) -0.0024(11) F57A 0.074(8) 0.057(7) 0.038(4) 0.021(5) 0.008(5) -0.012(5) F58 0.075(2) 0.0375(16) 0.0396(13) 0.0134(12) 0.0202(16) 0.0213(13) F58A 0.100(11) 0.052(8) 0.036(4) 0.013(5) 0.022(7) 0.045(7) F59 0.0360(9) 0.0786(16) 0.0490(11) 0.0328(11) 0.0097(8) 0.0008(9) F59A 0.089(6) 0.043(4) 0.034(4) 0.012(3) 0.000(4) -0.019(5) F60 0.0710(15) 0.0341(9) 0.0419(10) 0.0096(8) 0.0120(10) 0.0108(10) F60A 0.081(6) 0.077(5) 0.050(4) 0.031(4) 0.033(4) 0.051(5) F61 0.0364(9) 0.0674(12) 0.0461(10) 0.0257(9) 0.0132(7) 0.0074(8) F61A 0.14(2) 0.058(9) 0.043(7) 0.020(6) 0.006(10) -0.029(10) F62 0.086(2) 0.0280(18) 0.0385(17) 0.0091(14) 0.0133(16) 0.0051(14) F62A 0.075(5) 0.078(5) 0.058(4) 0.033(4) 0.036(4) 0.046(4) F63 0.0400(9) 0.0680(12) 0.0467(10) 0.0240(9) 0.0181(8) 0.0167(8) F63A 0.088(14) 0.102(16) 0.038(10) 0.045(10) -0.006(8) 0.008(11) F64 0.058(3) 0.0258(16) 0.050(3) 0.0090(15) 0.017(2) -0.0041(14) F64A 0.044(3) 0.071(5) 0.048(4) 0.022(3) 0.013(3) 0.019(3) F65 0.0467(10) 0.0584(11) 0.0497(11) 0.0236(9) 0.0186(8) 0.0218(8) F65A 0.083(10) 0.031(5) 0.043(5) 0.006(4) 0.012(7) -0.008(6) F66 0.0510(16) 0.0395(16) 0.0432(16) 0.0130(13) 0.0082(12) 0.0027(11) F66A 0.063(4) 0.069(5) 0.056(4) 0.023(4) 0.031(3) 0.020(4) F67 0.0713(14) 0.0925(17) 0.0540(12) 0.0285(11) 0.0354(11) 0.0328(12) F67A 0.115(14) 0.101(14) 0.054(10) 0.052(9) -0.021(8) -0.050(9) F68 0.090(3) 0.044(2) 0.056(3) 0.0202(17) 0.025(2) -0.0031(17) F68A 0.067(5) 0.121(8) 0.072(6) 0.052(5) 0.011(4) 0.033(5) F69 0.0591(13) 0.0724(16) 0.0443(13) 0.0307(11) 0.0097(11) 0.0080(11) F69A 0.122(9) 0.067(6) 0.045(5) 0.024(4) 0.028(5) 0.020(6) O115 0.0359(8) 0.0449(9) 0.0585(10) 0.0180(8) 0.0158(7) 0.0079(7) O215 0.0755(13) 0.0406(10) 0.0478(10) 0.0028(8) 0.0012(9) 0.0202(9) O315 0.0481(9) 0.0551(10) 0.0412(9) 0.0118(8) 0.0142(7) -0.0034(8) O415 0.0424(9) 0.0537(10) 0.0489(9) 0.0214(8) 0.0219(7) 0.0135(7) N101 0.0333(9) 0.0330(9) 0.0362(9) 0.0101(8) 0.0156(7) 0.0092(7) N113 0.0353(10) 0.0375(10) 0.0466(11) 0.0153(8) 0.0177(8) 0.0098(8) N201 0.0360(9) 0.0324(9) 0.0364(9) 0.0095(7) 0.0156(7) 0.0086(7) N213 0.0448(10) 0.0311(9) 0.0336(9) 0.0074(8) 0.0117(8) 0.0058(8) N301 0.0346(9) 0.0330(9) 0.0375(9) 0.0077(8) 0.0136(7) 0.0092(7) N313 0.0402(10) 0.0314(9) 0.0376(10) 0.0067(8) 0.0086(8) 0.0068(8) N401 0.0357(9) 0.0312(9) 0.0355(9) 0.0084(7) 0.0145(7) 0.0085(7) N413 0.0366(10) 0.0377(10) 0.0376(10) 0.0123(8) 0.0103(8) 0.0044(8) C10 0.0379(11) 0.0407(12) 0.0463(13) 0.0117(10) 0.0123(10) 0.0079(9) C11 0.0392(11) 0.0372(11) 0.0522(14) 0.0126(10) 0.0147(10) 0.0084(9) C12 0.0448(12) 0.0375(12) 0.0522(14) 0.0132(10) 0.0171(10) 0.0081(9) C13 0.0492(13) 0.0411(13) 0.0564(15) 0.0164(11) 0.0200(11) 0.0129(10) C14 0.0607(15) 0.0361(12) 0.0541(14) 0.0133(11) 0.0232(12) 0.0121(11) C15 0.0695(17) 0.0526(15) 0.0595(16) 0.0222(13) 0.0298(14) 0.0270(13) C16 0.091(2) 0.0440(15) 0.0582(17) 0.0168(13) 0.0307(16) 0.0102(14) C20 0.0450(12) 0.0361(11) 0.0369(11) 0.0069(9) 0.0105(9) 0.0089(9) C21 0.0438(12) 0.0345(11) 0.0406(12) 0.0089(9) 0.0099(9) 0.0090(9) C22 0.0458(12) 0.0351(11) 0.0412(12) 0.0102(9) 0.0117(10) 0.0096(9) C23 0.0518(13) 0.0402(12) 0.0424(13) 0.0146(10) 0.0076(10) 0.0068(10) C24 0.0487(13) 0.0497(14) 0.0421(13) 0.0161(11) 0.0107(10) 0.0110(11) C25 0.048(4) 0.047(4) 0.035(3) 0.021(3) 0.006(2) 0.007(3) C25A 0.071(10) 0.041(8) 0.085(15) 0.005(7) 0.023(8) -0.002(6) C26 0.050(3) 0.073(4) 0.049(5) 0.018(3) 0.014(3) 0.010(3) C26A 0.120(16) 0.069(12) 0.029(7) 0.027(7) 0.012(7) 0.029(9) C30 0.041(4) 0.032(3) 0.037(3) 0.007(2) 0.017(2) 0.009(2) C30A 0.047(7) 0.038(5) 0.041(5) 0.005(3) 0.011(4) 0.002(5) C31 0.0385(11) 0.0356(11) 0.0415(12) 0.0096(9) 0.0167(9) 0.0078(8) C32 0.0430(12) 0.0389(12) 0.0416(12) 0.0100(10) 0.0182(10) 0.0081(9) C33 0.041(2) 0.032(2) 0.0250(17) 0.0070(15) 0.0125(15) 0.0071(17) C33A 0.046(10) 0.074(16) 0.16(3) 0.029(15) 0.042(12) 0.017(10) C34 0.041(3) 0.045(2) 0.034(2) 0.0102(17) 0.012(2) 0.0050(19) C34A 0.047(10) 0.058(11) 0.038(7) -0.007(6) 0.010(7) 0.018(7) C35 0.037(3) 0.056(3) 0.040(2) 0.0165(17) 0.013(2) 0.010(2) C35A 0.029(9) 0.050(7) 0.073(9) 0.012(6) 0.014(8) 0.009(7) C36 0.048(2) 0.057(3) 0.040(2) 0.0150(19) 0.0133(19) 0.0034(18) C36A 0.074(11) 0.055(9) 0.042(7) 0.019(6) 0.017(7) -0.002(8) C40 0.0386(11) 0.0378(11) 0.0373(11) 0.0104(9) 0.0117(9) 0.0090(9) C41 0.041(3) 0.028(3) 0.026(2) 0.0100(18) 0.0094(17) 0.0014(19) C41A 0.031(10) 0.052(17) 0.12(2) 0.002(14) 0.026(11) 0.013(9) C42 0.0378(19) 0.032(3) 0.031(2) 0.0134(17) 0.0076(14) 0.0017(15) C42A 0.050(11) 0.032(10) 0.096(18) 0.008(9) 0.044(11) 0.002(7) C43 0.038(2) 0.0322(16) 0.0337(17) 0.0110(13) 0.0069(15) 0.0028(16) C43A 0.031(8) 0.053(9) 0.071(10) 0.030(7) 0.009(7) 0.013(6) C44 0.039(3) 0.032(2) 0.0362(18) 0.0098(15) 0.0133(16) 0.0029(19) C44A 0.036(10) 0.041(7) 0.065(9) 0.010(6) 0.018(7) -0.002(7) C45 0.0418(17) 0.0366(16) 0.0422(17) 0.0140(13) 0.0151(14) 0.0102(13) C45A 0.050(7) 0.041(6) 0.039(6) 0.014(5) 0.012(5) -0.002(5) C46 0.046(2) 0.050(3) 0.040(3) 0.022(2) 0.0143(16) 0.0080(19) C46A 0.075(19) 0.048(11) 0.067(15) -0.014(10) 0.014(11) -0.002(10) C102 0.0366(10) 0.0331(10) 0.0307(10) 0.0114(8) 0.0131(8) 0.0086(8) C103 0.0397(11) 0.0331(10) 0.0330(10) 0.0096(8) 0.0149(8) 0.0106(8) C104 0.0384(10) 0.0357(11) 0.0355(10) 0.0118(9) 0.0175(9) 0.0115(8) C105 0.0368(10) 0.0326(10) 0.0355(10) 0.0126(8) 0.0171(8) 0.0115(8) C106 0.0366(10) 0.0322(10) 0.0388(11) 0.0126(9) 0.0174(9) 0.0097(8) C107 0.0322(10) 0.0329(10) 0.0386(11) 0.0076(9) 0.0149(8) 0.0076(8) C108 0.0371(11) 0.0375(11) 0.0437(12) 0.0132(9) 0.0162(9) 0.0099(9) C109 0.0409(11) 0.0361(11) 0.0528(14) 0.0099(10) 0.0164(10) 0.0140(9) C110 0.0377(11) 0.0409(12) 0.0530(14) 0.0061(10) 0.0204(10) 0.0119(9) C111 0.0402(11) 0.0425(12) 0.0495(13) 0.0102(10) 0.0224(10) 0.0089(9) C112 0.0352(10) 0.0334(10) 0.0416(11) 0.0091(9) 0.0154(9) 0.0067(8) C114 0.0386(11) 0.0407(12) 0.0405(12) 0.0146(9) 0.0133(9) 0.0070(9) C202 0.0352(10) 0.0354(11) 0.0403(11) 0.0114(9) 0.0165(9) 0.0098(8) C203 0.0336(10) 0.0402(12) 0.0447(12) 0.0111(10) 0.0152(9) 0.0116(9) C204 0.0348(10) 0.0375(11) 0.0405(11) 0.0082(9) 0.0127(9) 0.0064(8) C205 0.0353(10) 0.0349(11) 0.0361(11) 0.0109(9) 0.0137(8) 0.0075(8) C206 0.0359(10) 0.0335(10) 0.0312(10) 0.0098(8) 0.0110(8) 0.0058(8) C207 0.0336(10) 0.0312(10) 0.0371(11) 0.0084(8) 0.0139(8) 0.0089(8) C208 0.0385(11) 0.0376(11) 0.0357(11) 0.0110(9) 0.0137(9) 0.0110(8) C209 0.0363(11) 0.0420(12) 0.0364(11) 0.0065(9) 0.0086(9) 0.0115(9) C210 0.0356(10) 0.0347(11) 0.0458(12) 0.0053(9) 0.0122(9) 0.0055(8) C211 0.0397(11) 0.0358(11) 0.0437(12) 0.0126(9) 0.0163(9) 0.0075(9) C212 0.0370(10) 0.0340(10) 0.0350(11) 0.0084(9) 0.0125(8) 0.0087(8) C214 0.0475(12) 0.0373(12) 0.0369(11) 0.0086(9) 0.0118(9) 0.0094(9) C302 0.0378(10) 0.0336(10) 0.0316(10) 0.0094(8) 0.0117(8) 0.0069(8) C303 0.0376(11) 0.0339(11) 0.0394(11) 0.0063(9) 0.0128(9) 0.0083(8) C304 0.0402(11) 0.0347(11) 0.0393(11) 0.0077(9) 0.0138(9) 0.0107(9) C305 0.0380(10) 0.0340(10) 0.0347(10) 0.0097(8) 0.0145(8) 0.0115(8) C306 0.0355(10) 0.0347(10) 0.0352(10) 0.0113(8) 0.0152(8) 0.0105(8) C307 0.0367(10) 0.0305(10) 0.0418(11) 0.0102(9) 0.0179(9) 0.0079(8) C308 0.0533(13) 0.0407(12) 0.0414(12) 0.0146(10) 0.0221(10) 0.0163(10) C309 0.0651(15) 0.0412(12) 0.0478(13) 0.0156(11) 0.0326(12) 0.0172(11) C310 0.0524(13) 0.0387(12) 0.0640(16) 0.0135(11) 0.0365(12) 0.0148(10) C311 0.0370(11) 0.0360(11) 0.0573(14) 0.0110(10) 0.0185(10) 0.0113(9) C312 0.0354(10) 0.0305(10) 0.0411(11) 0.0088(9) 0.0147(9) 0.0054(8) C314 0.0417(11) 0.0373(11) 0.0388(11) 0.0106(9) 0.0134(9) 0.0134(9) C402 0.0355(10) 0.0361(10) 0.0350(10) 0.0132(9) 0.0143(8) 0.0112(8) C403 0.0334(10) 0.0362(11) 0.0412(11) 0.0128(9) 0.0169(9) 0.0105(8) C404 0.0330(10) 0.0347(10) 0.0381(11) 0.0123(9) 0.0139(8) 0.0070(8) C405 0.0333(10) 0.0351(10) 0.0338(10) 0.0117(8) 0.0126(8) 0.0078(8) C406 0.0336(10) 0.0338(10) 0.0316(10) 0.0113(8) 0.0114(8) 0.0077(8) C407 0.0363(10) 0.0329(10) 0.0347(10) 0.0078(8) 0.0171(8) 0.0096(8) C408 0.0417(11) 0.0354(11) 0.0357(11) 0.0092(9) 0.0157(9) 0.0122(9) C409 0.0530(13) 0.0337(11) 0.0459(13) 0.0113(10) 0.0222(10) 0.0119(9) C410 0.0480(13) 0.0341(11) 0.0502(14) 0.0045(10) 0.0172(11) 0.0028(9) C411 0.0427(12) 0.0386(12) 0.0408(12) 0.0063(10) 0.0098(9) 0.0052(9) C412 0.0378(10) 0.0348(11) 0.0343(10) 0.0082(9) 0.0143(8) 0.0083(8) C414 0.0416(11) 0.0393(11) 0.0316(10) 0.0078(9) 0.0145(9) 0.0096(9) C501 0.0677(19) 0.080(2) 0.0541(17) 0.0181(15) 0.0143(14) 0.0212(16) C502 0.0560(14) 0.0488(14) 0.0495(14) 0.0134(11) 0.0216(12) 0.0105(11) C503 0.0495(13) 0.0390(12) 0.0474(13) 0.0115(10) 0.0211(11) 0.0118(10) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 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 C102 N101 C105 108.57(18) . . ? C114 N113 C112 125.5(2) . . ? C202 N201 C205 106.53(17) . . ? C214 N213 C212 123.1(2) . . ? C302 N301 C305 108.35(18) . . ? C314 N313 C312 120.0(2) . . ? C402 N401 C405 106.53(17) . . ? C414 N413 C412 124.0(2) . . ? F10 C10 C11 105.96(19) . . ? F10 C10 C114 106.87(19) . . ? F11 C10 F10 106.58(19) . . ? F11 C10 C11 107.48(19) . . ? F11 C10 C114 111.71(18) . . ? C11 C10 C114 117.57(19) . . ? F12 C11 F13 107.69(19) . . ? F12 C11 C10 109.34(19) . . ? F12 C11 C12 109.2(2) . . ? F13 C11 C10 106.83(19) . . ? F13 C11 C12 108.28(19) . . ? C12 C11 C10 115.19(19) . . ? F14 C12 F15 108.6(2) . . ? F14 C12 C11 108.0(2) . . ? F14 C12 C13 108.4(2) . . ? F15 C12 C11 106.8(2) . . ? F15 C12 C13 109.3(2) . . ? C11 C12 C13 115.5(2) . . ? F16 C13 C12 108.2(2) . . ? F16 C13 C14 109.2(2) . . ? F17 C13 F16 108.3(2) . . ? F17 C13 C12 108.7(2) . . ? F17 C13 C14 108.9(2) . . ? C14 C13 C12 113.4(2) . . ? F18 C14 C13 108.2(2) . . ? F18 C14 C15 107.3(2) . . ? F19 C14 F18 109.8(2) . . ? F19 C14 C13 107.9(2) . . ? F19 C14 C15 108.7(2) . . ? C13 C14 C15 115.0(2) . . ? F20 C15 C14 108.8(2) . . ? F20 C15 C16 107.9(2) . . ? F21 C15 F20 108.3(3) . . ? F21 C15 C14 108.8(2) . . ? F21 C15 C16 108.1(2) . . ? C16 C15 C14 114.8(3) . . ? F22 C16 F23 108.7(3) . . ? F22 C16 F24 109.0(3) . . ? F22 C16 C15 111.3(2) . . ? F23 C16 C15 108.7(3) . . ? F24 C16 F23 107.4(2) . . ? F24 C16 C15 111.6(2) . . ? F25 C20 F26 107.95(19) . . ? F25 C20 C21 109.09(19) . . ? F25 C20 C214 108.52(19) . . ? F26 C20 C21 108.40(18) . . ? F26 C20 C214 111.60(19) . . ? C214 C20 C21 111.21(19) . . ? F27 C21 C20 108.04(19) . . ? F27 C21 C22 108.20(19) . . ? F28 C21 F27 108.67(19) . . ? F28 C21 C20 109.31(19) . . ? F28 C21 C22 107.93(18) . . ? C20 C21 C22 114.55(19) . . ? F29 C22 F30 108.64(19) . . ? F29 C22 C21 108.86(19) . . ? F29 C22 C23 108.02(19) . . ? F30 C22 C21 108.85(19) . . ? F30 C22 C23 108.1(2) . . ? C23 C22 C21 114.20(19) . . ? F31 C23 F32 107.8(2) . . ? F31 C23 C22 109.1(2) . . ? F31 C23 C24 109.1(2) . . ? F32 C23 C22 108.1(2) . . ? F32 C23 C24 108.9(2) . . ? C22 C23 C24 113.8(2) . . ? F33 C24 F34 109.5(2) . . ? F33 C24 C23 109.0(2) . . ? F33 C24 C25 107.7(3) . . ? F33 C24 C25A 108.7(6) . . ? F34 C24 C23 107.9(2) . . ? F34 C24 C25 110.7(4) . . ? F34 C24 C25A 101.1(8) . . ? C23 C24 C25 112.0(4) . . ? C25A C24 C23 120.1(7) . . ? F35 C25 C24 111.4(4) . . ? F35 C25 C26 109.0(6) . . ? F36 C25 F35 107.0(7) . . ? F36 C25 C24 108.3(6) . . ? F36 C25 C26 107.5(5) . . ? C26 C25 C24 113.4(7) . . ? F35A C25A C24 103.8(10) . . ? F35A C25A C26A 107.8(13) . . ? F36A C25A F35A 110.4(14) . . ? F36A C25A C24 108.1(13) . . ? F36A C25A C26A 107.9(13) . . ? C24 C25A C26A 118.6(11) . . ? F37 C26 F38 109.8(8) . . ? F37 C26 F39 109.4(7) . . ? F37 C26 C25 111.0(6) . . ? F38 C26 C25 110.0(7) . . ? F39 C26 F38 106.4(6) . . ? F39 C26 C25 110.0(7) . . ? F37A C26A F39A 107.8(14) . . ? F37A C26A C25A 109.3(13) . . ? F38A C26A F37A 108.1(17) . . ? F38A C26A F39A 108.8(13) . . ? F38A C26A C25A 112.3(13) . . ? F39A C26A C25A 110.4(14) . . ? F40 C30 C31 109.0(5) . . ? F40 C30 C314 112.1(5) . . ? F41 C30 F40 108.8(5) . . ? F41 C30 C31 107.2(5) . . ? F41 C30 C314 106.5(5) . . ? C314 C30 C31 113.0(4) . . ? F40A C30A C31 106.4(8) . . ? F40A C30A C314 106.9(8) . . ? F41A C30A F40A 108.6(9) . . ? F41A C30A C31 110.4(8) . . ? F41A C30A C314 110.9(8) . . ? C31 C30A C314 113.4(8) . . ? F42 C31 F43 108.11(18) . . ? F42 C31 C30 114.0(4) . . ? F42 C31 C30A 100.7(7) . . ? F42 C31 C32 108.26(18) . . ? F43 C31 C30 103.1(4) . . ? F43 C31 C30A 115.0(6) . . ? F43 C31 C32 109.57(19) . . ? C32 C31 C30 113.6(3) . . ? C32 C31 C30A 114.6(5) . . ? F44 C32 F45 109.27(19) . . ? F44 C32 C31 109.00(18) . . ? F44 C32 C33 107.3(2) . . ? F44 C32 C33A 108.2(7) . . ? F45 C32 C31 107.97(19) . . ? F45 C32 C33 108.8(3) . . ? F45 C32 C33A 100.8(6) . . ? C31 C32 C33 114.4(2) . . ? C33A C32 C31 120.9(7) . . ? F46 C33 F47 107.2(4) . . ? F46 C33 C32 110.3(3) . . ? F46 C33 C34 109.1(3) . . ? F47 C33 C32 108.6(3) . . ? F47 C33 C34 108.7(3) . . ? C34 C33 C32 112.7(4) . . ? F46A C33A F47A 104.7(13) . . ? F46A C33A C32 106.9(11) . . ? F46A C33A C34A 111.4(13) . . ? F47A C33A C32 104.6(11) . . ? F47A C33A C34A 110.5(12) . . ? C32 C33A C34A 117.7(14) . . ? F48 C34 F49 109.0(4) . . ? F48 C34 C33 110.5(4) . . ? F48 C34 C35 107.3(5) . . ? F49 C34 C33 107.9(4) . . ? F49 C34 C35 108.1(4) . . ? C33 C34 C35 113.9(4) . . ? F48A C34A C33A 106.3(12) . . ? F48A C34A C35A 110.3(13) . . ? F49A C34A F48A 107.6(13) . . ? F49A C34A C33A 107.5(15) . . ? F49A C34A C35A 111.2(15) . . ? C35A C34A C33A 113.6(15) . . ? F50 C35 F51 108.4(4) . . ? F50 C35 C34 109.0(5) . . ? F50 C35 C36 107.8(5) . . ? F51 C35 C34 109.3(5) . . ? F51 C35 C36 106.4(5) . . ? C36 C35 C34 115.7(4) . . ? F50A C35A F51A 104.7(16) . . ? F50A C35A C34A 109.9(15) . . ? F50A C35A C36A 105.2(16) . . ? F51A C35A C34A 111(2) . . ? F51A C35A C36A 111.5(19) . . ? C34A C35A C36A 113.9(15) . . ? F52 C36 C35 109.5(5) . . ? F53 C36 F52 109.9(5) . . ? F53 C36 C35 112.2(4) . . ? F54 C36 F52 108.3(6) . . ? F54 C36 F53 108.7(4) . . ? F54 C36 C35 108.1(5) . . ? F52A C36A F53A 107.5(15) . . ? F52A C36A F54A 116.1(17) . . ? F52A C36A C35A 106.8(17) . . ? F53A C36A C35A 109.7(16) . . ? F54A C36A F53A 106.8(13) . . ? F54A C36A C35A 109.8(11) . . ? F55 C40 C41 109.2(3) . . ? F55 C40 C41A 103.6(8) . . ? F55 C40 C414 111.42(18) . . ? F56 C40 F55 107.97(18) . . ? F56 C40 C41 108.9(2) . . ? F56 C40 C41A 110.8(8) . . ? F56 C40 C414 108.91(18) . . ? C41A C40 C414 114.0(9) . . ? C414 C40 C41 110.3(2) . . ? F57 C41 C40 108.0(3) . . ? F57 C41 C42 107.1(4) . . ? F58 C41 F57 109.3(4) . . ? F58 C41 C40 107.6(4) . . ? F58 C41 C42 110.2(4) . . ? C40 C41 C42 114.5(4) . . ? F57A C41A F58A 101.3(15) . . ? F57A C41A C40 106.6(15) . . ? F57A C41A C42A 109.9(15) . . ? F58A C41A C40 103.8(14) . . ? F58A C41A C42A 108.6(16) . . ? C42A C41A C40 124.0(16) . . ? F59 C42 C41 106.8(4) . . ? F59 C42 C43 108.3(4) . . ? F60 C42 F59 109.6(5) . . ? F60 C42 C41 109.1(4) . . ? F60 C42 C43 109.9(4) . . ? C43 C42 C41 113.1(4) . . ? F59A C42A C41A 109.6(15) . . ? F59A C42A C43A 106.5(14) . . ? F60A C42A F59A 102.5(14) . . ? F60A C42A C41A 107.8(15) . . ? F60A C42A C43A 108.5(14) . . ? C41A C42A C43A 120.5(15) . . ? F61 C43 C42 107.1(4) . . ? F61 C43 C44 107.5(3) . . ? F62 C43 F61 108.2(4) . . ? F62 C43 C42 110.0(5) . . ? F62 C43 C44 109.6(5) . . ? C44 C43 C42 114.2(4) . . ? F61A C43A C42A 109.2(17) . . ? F61A C43A C44A 107.1(16) . . ? F62A C43A F61A 104.6(16) . . ? F62A C43A C42A 109.4(11) . . ? F62A C43A C44A 107.9(11) . . ? C42A C43A C44A 117.9(13) . . ? F63 C44 C43 108.0(4) . . ? F63 C44 C45 108.0(3) . . ? F64 C44 F63 108.2(4) . . ? F64 C44 C43 110.4(4) . . ? F64 C44 C45 108.5(4) . . ? C45 C44 C43 113.7(3) . . ? F63A C44A C43A 105.5(13) . . ? F63A C44A C45A 109.2(13) . . ? F64A C44A F63A 105.0(14) . . ? F64A C44A C43A 111.3(11) . . ? F64A C44A C45A 109.0(11) . . ? C45A C44A C43A 116.2(12) . . ? F65 C45 C44 108.9(3) . . ? F65 C45 C46 105.9(4) . . ? F66 C45 F65 109.2(3) . . ? F66 C45 C44 109.3(4) . . ? F66 C45 C46 107.3(4) . . ? C46 C45 C44 116.0(4) . . ? F65A C45A F66A 107.2(10) . . ? F65A C45A C44A 108.2(12) . . ? F65A C45A C46A 106.4(13) . . ? F66A C45A C44A 110.6(9) . . ? F66A C45A C46A 105.7(10) . . ? C46A C45A C44A 118.1(11) . . ? F67 C46 C45 111.5(4) . . ? F68 C46 F67 106.4(6) . . ? F68 C46 C45 111.7(5) . . ? F69 C46 F67 108.7(5) . . ? F69 C46 F68 109.7(5) . . ? F69 C46 C45 108.9(5) . . ? F67A C46A F68A 102.1(18) . . ? F67A C46A C45A 109.6(16) . . ? F68A C46A C45A 113.6(13) . . ? F69A C46A F67A 110.7(17) . . ? F69A C46A F68A 108.7(15) . . ? F69A C46A C45A 111.7(13) . . ? N101 C102 C103 108.19(18) . . ? N101 C102 C406 125.96(19) . . ? C406 C102 C103 125.8(2) . . ? C104 C103 C102 107.6(2) . . ? C103 C104 C105 107.81(19) . . ? N101 C105 C104 107.84(18) . . ? N101 C105 C106 125.46(19) . . ? C106 C105 C104 126.66(19) . . ? C105 C106 C107 117.04(19) . . ? C105 C106 C202 125.48(19) . . ? C202 C106 C107 117.37(18) . . ? C108 C107 C106 121.24(19) . . ? C108 C107 C112 118.21(19) . . ? C112 C107 C106 120.52(19) . . ? C107 C108 C109 120.8(2) . . ? C110 C109 C108 119.9(2) . . ? C111 C110 C109 120.4(2) . . ? C112 C111 C110 119.7(2) . . ? C107 C112 N113 118.20(19) . . ? C111 C112 N113 120.8(2) . . ? C111 C112 C107 120.9(2) . . ? O115 C114 N113 127.4(2) . . ? O115 C114 C10 119.2(2) . . ? N113 C114 C10 113.33(19) . . ? N201 C202 C106 125.03(19) . . ? N201 C202 C203 109.98(19) . . ? C106 C202 C203 124.66(19) . . ? C204 C203 C202 106.9(2) . . ? C203 C204 C205 106.9(2) . . ? N201 C205 C204 109.61(18) . . ? N201 C205 C206 125.20(19) . . ? C206 C205 C204 125.1(2) . . ? C205 C206 C207 117.98(19) . . ? C302 C206 C205 125.2(2) . . ? C302 C206 C207 116.79(19) . . ? C208 C207 C206 121.23(19) . . ? C208 C207 C212 117.9(2) . . ? C212 C207 C206 120.89(19) . . ? C209 C208 C207 121.1(2) . . ? C210 C209 C208 120.2(2) . . ? C211 C210 C209 119.7(2) . . ? C210 C211 C212 119.8(2) . . ? C207 C212 N213 119.19(19) . . ? C211 C212 N213 119.5(2) . . ? C211 C212 C207 121.3(2) . . ? O215 C214 N213 126.4(2) . . ? O215 C214 C20 117.8(2) . . ? N213 C214 C20 115.7(2) . . ? N301 C302 C206 126.1(2) . . ? N301 C302 C303 108.34(19) . . ? C206 C302 C303 125.4(2) . . ? C304 C303 C302 107.0(2) . . ? C303 C304 C305 108.03(19) . . ? N301 C305 C304 108.22(19) . . ? N301 C305 C306 126.07(19) . . ? C306 C305 C304 125.69(19) . . ? C305 C306 C307 117.13(18) . . ? C305 C306 C402 124.87(19) . . ? C402 C306 C307 117.99(18) . . ? C308 C307 C306 119.4(2) . . ? C312 C307 C306 122.78(19) . . ? C312 C307 C308 117.8(2) . . ? C309 C308 C307 120.9(2) . . ? C310 C309 C308 120.3(2) . . ? C309 C310 C311 119.7(2) . . ? C310 C311 C312 119.8(2) . . ? C307 C312 N313 119.04(19) . . ? C311 C312 N313 119.5(2) . . ? C311 C312 C307 121.5(2) . . ? O315 C314 N313 126.5(2) . . ? O315 C314 C30 123.6(4) . . ? O315 C314 C30A 110.4(7) . . ? N313 C314 C30 110.0(4) . . ? N313 C314 C30A 122.6(7) . . ? N401 C402 C306 125.46(19) . . ? N401 C402 C403 110.13(18) . . ? C306 C402 C403 124.36(19) . . ? C404 C403 C402 106.67(19) . . ? C403 C404 C405 107.33(19) . . ? N401 C405 C404 109.33(18) . . ? N401 C405 C406 126.15(19) . . ? C406 C405 C404 124.5(2) . . ? C102 C406 C407 115.94(18) . . ? C405 C406 C102 125.4(2) . . ? C405 C406 C407 118.43(18) . . ? C408 C407 C406 118.16(19) . . ? C412 C407 C406 123.83(19) . . ? C412 C407 C408 118.0(2) . . ? C409 C408 C407 121.8(2) . . ? C410 C409 C408 119.3(2) . . ? C409 C410 C411 120.6(2) . . ? C410 C411 C412 119.8(2) . . ? C407 C412 N413 120.34(19) . . ? C407 C412 C411 120.5(2) . . ? C411 C412 N413 119.1(2) . . ? O415 C414 N413 126.3(2) . . ? O415 C414 C40 118.0(2) . . ? N413 C414 C40 115.74(19) . . ? C501 C502 C503 113.1(2) . . ? C503 C503 C502 113.4(2) 2_677 . ? 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 F10 C10 1.359(3) . ? F11 C10 1.354(3) . ? F12 C11 1.344(3) . ? F13 C11 1.352(3) . ? F14 C12 1.338(3) . ? F15 C12 1.348(3) . ? F16 C13 1.345(3) . ? F17 C13 1.337(3) . ? F18 C14 1.347(3) . ? F19 C14 1.334(3) . ? F20 C15 1.345(3) . ? F21 C15 1.338(3) . ? F22 C16 1.309(4) . ? F23 C16 1.338(4) . ? F24 C16 1.331(4) . ? F25 C20 1.345(3) . ? F26 C20 1.353(3) . ? F27 C21 1.346(3) . ? F28 C21 1.342(3) . ? F29 C22 1.333(3) . ? F30 C22 1.341(3) . ? F31 C23 1.339(3) . ? F32 C23 1.345(3) . ? F33 C24 1.325(3) . ? F34 C24 1.345(3) . ? F35 C25 1.341(7) . ? F35A C25A 1.344(13) . ? F36 C25 1.334(9) . ? F36A C25A 1.329(14) . ? F37 C26 1.309(9) . ? F37A C26A 1.307(15) . ? F38 C26 1.320(7) . ? F38A C26A 1.301(14) . ? F39 C26 1.313(8) . ? F39A C26A 1.315(13) . ? F40 C30 1.353(8) . ? F40A C30A 1.362(12) . ? F41 C30 1.346(8) . ? F41A C30A 1.342(12) . ? F42 C31 1.333(3) . ? F43 C31 1.345(3) . ? F44 C32 1.332(3) . ? F45 C32 1.344(3) . ? F46 C33 1.334(4) . ? F46A C33A 1.355(16) . ? F47 C33 1.358(6) . ? F47A C33A 1.365(16) . ? F48 C34 1.326(7) . ? F48A C34A 1.336(15) . ? F49 C34 1.344(5) . ? F49A C34A 1.325(16) . ? F50 C35 1.310(7) . ? F50A C35A 1.362(13) . ? F51 C35 1.330(6) . ? F51A C35A 1.362(19) . ? F52 C36 1.339(8) . ? F52A C36A 1.292(19) . ? F53 C36 1.325(5) . ? F53A C36A 1.359(17) . ? F54 C36 1.310(8) . ? F54A C36A 1.320(13) . ? F55 C40 1.357(3) . ? F56 C40 1.337(3) . ? F57 C41 1.347(6) . ? F57A C41A 1.370(17) . ? F58 C41 1.332(5) . ? F58A C41A 1.388(16) . ? F59 C42 1.342(7) . ? F59A C42A 1.357(17) . ? F60 C42 1.321(5) . ? F60A C42A 1.351(16) . ? F61 C43 1.349(5) . ? F61A C43A 1.348(18) . ? F62 C43 1.314(6) . ? F62A C43A 1.328(13) . ? F63 C44 1.350(6) . ? F63A C44A 1.369(17) . ? F64 C44 1.324(5) . ? F64A C44A 1.336(13) . ? F65 C45 1.345(4) . ? F65A C45A 1.340(15) . ? F66 C45 1.334(5) . ? F66A C45A 1.343(13) . ? F67 C46 1.324(8) . ? F67A C46A 1.326(19) . ? F68 C46 1.322(6) . ? F68A C46A 1.330(17) . ? F69 C46 1.316(6) . ? F69A C46A 1.325(16) . ? O115 C114 1.211(3) . ? O215 C214 1.201(3) . ? O315 C314 1.203(3) . ? O415 C414 1.210(3) . ? N101 C102 1.365(3) . ? N101 C105 1.376(3) . ? N113 C112 1.427(3) . ? N113 C114 1.342(3) . ? N201 C202 1.367(3) . ? N201 C205 1.370(3) . ? N213 C212 1.428(3) . ? N213 C214 1.346(3) . ? N301 C302 1.368(3) . ? N301 C305 1.369(3) . ? N313 C312 1.432(3) . ? N313 C314 1.341(3) . ? N401 C402 1.366(3) . ? N401 C405 1.368(3) . ? N413 C412 1.421(3) . ? N413 C414 1.351(3) . ? C10 C11 1.544(3) . ? C10 C114 1.561(3) . ? C11 C12 1.542(4) . ? C12 C13 1.553(3) . ? C13 C14 1.547(4) . ? C14 C15 1.552(4) . ? C15 C16 1.532(4) . ? C20 C21 1.543(3) . ? C20 C214 1.540(3) . ? C21 C22 1.551(3) . ? C22 C23 1.551(3) . ? C23 C24 1.552(4) . ? C24 C25 1.557(6) . ? C24 C25A 1.520(13) . ? C25 C26 1.536(9) . ? C25A C26A 1.533(14) . ? C30 C31 1.558(7) . ? C30 C314 1.556(7) . ? C30A C31 1.553(12) . ? C30A C314 1.555(12) . ? C31 C32 1.553(3) . ? C32 C33 1.558(4) . ? C32 C33A 1.530(16) . ? C33 C34 1.553(6) . ? C33A C34A 1.537(16) . ? C34 C35 1.564(8) . ? C34A C35A 1.49(3) . ? C35 C36 1.552(8) . ? C35A C36A 1.58(3) . ? C40 C41 1.554(4) . ? C40 C41A 1.538(17) . ? C40 C414 1.542(3) . ? C41 C42 1.570(7) . ? C41A C42A 1.40(3) . ? C42 C43 1.552(5) . ? C42A C43A 1.530(16) . ? C43 C44 1.547(5) . ? C43A C44A 1.550(14) . ? C44 C45 1.544(5) . ? C44A C45A 1.527(14) . ? C45 C46 1.540(6) . ? C45A C46A 1.525(15) . ? C102 C103 1.433(3) . ? C102 C406 1.410(3) . ? C103 C104 1.356(3) . ? C104 C105 1.430(3) . ? C105 C106 1.401(3) . ? C106 C107 1.501(3) . ? C106 C202 1.406(3) . ? C107 C108 1.390(3) . ? C107 C112 1.410(3) . ? C108 C109 1.390(3) . ? C109 C110 1.384(3) . ? C110 C111 1.384(3) . ? C111 C112 1.381(3) . ? C202 C203 1.447(3) . ? C203 C204 1.351(3) . ? C204 C205 1.452(3) . ? C205 C206 1.401(3) . ? C206 C207 1.502(3) . ? C206 C302 1.399(3) . ? C207 C208 1.389(3) . ? C207 C212 1.399(3) . ? C208 C209 1.389(3) . ? C209 C210 1.384(3) . ? C210 C211 1.383(3) . ? C211 C212 1.387(3) . ? C302 C303 1.438(3) . ? C303 C304 1.356(3) . ? C304 C305 1.428(3) . ? C305 C306 1.402(3) . ? C306 C307 1.495(3) . ? C306 C402 1.408(3) . ? C307 C308 1.395(3) . ? C307 C312 1.392(3) . ? C308 C309 1.388(3) . ? C309 C310 1.382(4) . ? C310 C311 1.385(4) . ? C311 C312 1.387(3) . ? C402 C403 1.447(3) . ? C403 C404 1.343(3) . ? C404 C405 1.454(3) . ? C405 C406 1.401(3) . ? C406 C407 1.502(3) . ? C407 C408 1.398(3) . ? C407 C412 1.393(3) . ? C408 C409 1.381(3) . ? C409 C410 1.379(4) . ? C410 C411 1.383(4) . ? C411 C412 1.400(3) . ? C501 C502 1.519(4) . ? C502 C503 1.523(4) . ? C503 C503 1.514(5) 2_677 ?