# Electronic Supplementary Material (ESI) for Chemical Science. # This journal is © The Royal Society of Chemistry 2024 ####################################################################### # # This file contains crystal structure data downloaded from the # Cambridge Structural Database (CSD) hosted by the Cambridge # Crystallographic Data Centre (CCDC). # # Full information about CCDC data access policies and citation # guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 # # Audit and citation data items may have been added by the CCDC. # Please retain this information to preserve the provenance of # this file and to allow appropriate attribution of the data. # ####################################################################### data_1 _database_code_depnum_ccdc_archive 'CCDC 2293492' loop_ _audit_author_name _audit_author_address JiangYonggang ;yunnandaxue China ; _audit_update_record ; 2023-09-07 deposited with the CCDC. 2024-01-04 downloaded from the CCDC. ; _audit_creation_date 2023-09-05 _audit_creation_method ; FinalCif V88 by Daniel Kratzert, Freiburg 2023, https://github.com/dkratzert/FinalCif ; _diffrn_source_power 0.07 _shelx_SHELXL_version_number 2018/3 _chemical_name_systematic ? _chemical_name_common ? _chemical_formula_sum 'C32 H27 F2 N3 O' _chemical_formula_moiety 'C32 H27 F2 N3 O' _chemical_formula_weight 507.56 _exptl_crystal_colour_primary colourless _chemical_melting_point ? _chemical_absolute_configuration unk _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.a Ternary CH refined with riding coordinates: C8(H8), C13(H13) 2.b Secondary CH2 refined with riding coordinates: C9(H9A,H9B) 2.c Aromatic/amide H refined with riding coordinates: C32(H32), C2(H2), C28(H28), C19(H19), C17(H17), C29(H29), C22(H22), C15(H15), C31(H31), C24(H24), C26(H26), C30(H30), C25(H25), C5(H5), C4(H4), C23(H23), C3(H3) 2.d Idealised Me refined as rotating group: C11(H11A,H11B,H11C), C12(H12A,H12B,H12C) ; _olex2_submission_special_instructions 'No special instructions were received' _space_group_crystal_system monoclinic _space_group_IT_number 9 _space_group_name_H-M_alt 'C c' _space_group_name_Hall 'C -2yc' _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. ; loop_ _space_group_symop_operation_xyz 'x, y, z' 'x, -y, z+1/2' 'x+1/2, y+1/2, z' 'x+1/2, -y+1/2, z+1/2' _cell_length_a 14.9152(16) _cell_length_b 9.8681(9) _cell_length_c 18.7455(19) _cell_angle_alpha 90 _cell_angle_beta 111.468(4) _cell_angle_gamma 90 _cell_volume 2567.6(5) _cell_formula_units_Z 4 _cell_measurement_temperature 100.00 _cell_measurement_reflns_used 6070 _cell_measurement_theta_min 2.33 _cell_measurement_theta_max 28.16 _exptl_crystal_description block _exptl_crystal_colour colourless _exptl_crystal_recrystallization_method ? _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_density_diffrn 1.313 _exptl_crystal_F_000 1064 _exptl_crystal_size_max 0.19 _exptl_crystal_size_mid 0.17 _exptl_crystal_size_min 0.16 _exptl_absorpt_coefficient_mu 0.090 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.5380 _exptl_absorpt_correction_T_max 0.7457 _exptl_absorpt_process_details ; SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1031 before and 0.0787 after correction. The Ratio of minimum to maximum transmission is 0.7215. The \l/2 correction factor is Not present. ; _exptl_absorpt_special_details ? _shelx_estimated_absorpt_T_min 0.983 _shelx_estimated_absorpt_T_max 0.986 _exptl_transmission_factor_min ? _exptl_transmission_factor_max ? _exptl_special_details ? _diffrn_ambient_temperature 100.00 _diffrn_ambient_environment N~2~ _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_monochromator 'mirror optics' _olex2_diffrn_ambient_temperature_device 'Oxford Cryostream 800' _diffrn_radiation_probe x-ray _diffrn_source 'microfocus sealed X-ray tube' _diffrn_source_type 'Incoatec I\ms' _diffrn_source_voltage 50.0 _diffrn_source_current 1.4 _diffrn_detector CPAD _diffrn_detector_type 'Bruker PHOTON' _diffrn_detector_area_resol_mean 7.41 _diffrn_measurement_device 'three-circle diffractometer' _diffrn_measurement_device_type 'Bruker D8 VENTURE dual wavelength Mo/Cu' _diffrn_measurement_method '\w and \f scans' _diffrn_measurement_specimen_support 'MiTeGen micromount' _diffrn_reflns_number 16313 _diffrn_reflns_av_unetI/netI 0.0740 _diffrn_reflns_av_R_equivalents 0.0664 _diffrn_reflns_theta_min 2.335 _diffrn_reflns_theta_max 28.386 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_limit_h_min -17 _diffrn_reflns_limit_h_max 19 _diffrn_reflns_limit_k_min -13 _diffrn_reflns_limit_k_max 13 _diffrn_reflns_limit_l_min -25 _diffrn_reflns_limit_l_max 23 _diffrn_measured_fraction_theta_max 0.994 _diffrn_measured_fraction_theta_full 0.998 _diffrn_reflns_Laue_measured_fraction_max 0.994 _diffrn_reflns_Laue_measured_fraction_full 0.998 _diffrn_reflns_point_group_measured_fraction_max 0.903 _diffrn_reflns_point_group_measured_fraction_full 0.956 _reflns_number_total 5799 _reflns_number_gt 4877 _reflns_threshold_expression 'I > 2\s(I)' _reflns_Friedel_coverage 0.815 _reflns_Friedel_fraction_max 0.812 _reflns_Friedel_fraction_full 0.913 _reflns_special_details ; Reflections were merged by SHELXL according to the crystal class for the calculation of statistics and refinement. _reflns_Friedel_fraction is defined as the number of unique Friedel pairs measured divided by the number that would be possible theoretically, ignoring centric projections and systematic absences. ; _computing_data_collection ? _computing_cell_refinement 'SAINT V8.40B' _computing_data_reduction 'SAINT V8.40B' _computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)' _computing_structure_refinement 'SHELXL 2018/3 (Sheldrick, 2015)' _computing_molecular_graphics 'Olex2 1.5 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 1.5 (Dolomanov et al., 2009)' _refine_special_details ? _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0525P)^2^+0.0218P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary ? _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment constr _refine_ls_number_reflns 5799 _refine_ls_number_parameters 345 _refine_ls_number_restraints 2 _refine_ls_R_factor_all 0.0640 _refine_ls_R_factor_gt 0.0503 _refine_ls_wR_factor_ref 0.1184 _refine_ls_wR_factor_gt 0.1114 _refine_ls_goodness_of_fit_ref 1.075 _refine_ls_restrained_S_all 1.075 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 _refine_diff_density_max 0.227 _refine_diff_density_min -0.221 _refine_diff_density_rms 0.053 _refine_ls_extinction_method none _refine_ls_extinction_coef . _refine_ls_abs_structure_Flack 0.2(6) _refine_ls_abs_structure_details ; Flack x determined using 1753 quotients [(I+)-(I-)]/[(I+)+(I-)] (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259). ; 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' _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _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 F1 F 0.22845(15) 0.77340(19) 0.27544(11) 0.0327(5) Uani 1 1 d . . . . . F2 F 0.43078(15) 1.15401(18) 0.32447(11) 0.0303(5) Uani 1 1 d . . . . . O1 O 0.63519(17) 0.4351(2) 0.65102(13) 0.0237(5) Uani 1 1 d . . . . . N3 N 0.45393(18) 0.7071(3) 0.54378(14) 0.0176(5) Uani 1 1 d . . . . . N1 N 0.58519(19) 0.4614(3) 0.52056(14) 0.0195(6) Uani 1 1 d . . . . . N2 N 0.6216(2) 0.5609(3) 0.41437(15) 0.0232(6) Uani 1 1 d . . . . . C20 C 0.4262(2) 0.7576(3) 0.59497(16) 0.0161(6) Uani 1 1 d . . . . . C27 C 0.3721(2) 0.6706(3) 0.63046(16) 0.0154(6) Uani 1 1 d . . . . . C10 C 0.6243(2) 0.5047(3) 0.59428(17) 0.0185(6) Uani 1 1 d . . . . . C32 C 0.3950(2) 0.5338(3) 0.64641(18) 0.0212(6) Uani 1 1 d . . . . . H32 H 0.445149 0.493858 0.633663 0.025 Uiso 1 1 calc R U . . . C2 C 0.7095(2) 0.8913(3) 0.49122(18) 0.0222(7) Uani 1 1 d . . . . . H2 H 0.704793 0.948070 0.530642 0.027 Uiso 1 1 calc R U . . . C18 C 0.3103(2) 0.8401(3) 0.31961(18) 0.0232(7) Uani 1 1 d . . . . . C28 C 0.2974(2) 0.7260(3) 0.64856(18) 0.0223(7) Uani 1 1 d . . . . . H28 H 0.282149 0.819306 0.638643 0.027 Uiso 1 1 calc R U . . . C16 C 0.4103(3) 1.0283(3) 0.34362(18) 0.0227(7) Uani 1 1 d . . . . . C14 C 0.4490(2) 0.8471(3) 0.43479(17) 0.0176(6) Uani 1 1 d . . . . . C1 C 0.6607(2) 0.7690(3) 0.47488(17) 0.0198(6) Uani 1 1 d . . . . . C19 C 0.3669(2) 0.7794(3) 0.38723(17) 0.0200(6) Uani 1 1 d . . . . . H19 H 0.350306 0.693032 0.401181 0.024 Uiso 1 1 calc R U . . . C9 C 0.6534(2) 0.6515(3) 0.59432(17) 0.0186(6) Uani 1 1 d . . . . . H9A H 0.723859 0.659383 0.607607 0.022 Uiso 1 1 calc R U . . . H9B H 0.635137 0.704567 0.631716 0.022 Uiso 1 1 calc R U . . . C17 C 0.3289(3) 0.9639(3) 0.29482(18) 0.0244(7) Uani 1 1 d . . . . . H17 H 0.288587 1.002567 0.247519 0.029 Uiso 1 1 calc R U . . . C8 C 0.5654(2) 0.5691(3) 0.46425(17) 0.0194(6) Uani 1 1 d . . . . . H8 H 0.494955 0.573013 0.432770 0.023 Uiso 1 1 calc R U . . . C21 C 0.4450(2) 0.9014(3) 0.62356(18) 0.0188(6) Uani 1 1 d . . . . . C29 C 0.2448(3) 0.6479(3) 0.68083(19) 0.0244(7) Uani 1 1 d . . . . . H29 H 0.192868 0.686784 0.691599 0.029 Uiso 1 1 calc R U . . . C22 C 0.3998(2) 1.0105(3) 0.57782(19) 0.0239(7) Uani 1 1 d . . . . . H22 H 0.353308 0.995106 0.527985 0.029 Uiso 1 1 calc R U . . . C13 C 0.5119(2) 0.7910(3) 0.51221(16) 0.0166(6) Uani 1 1 d . . . . . H13 H 0.538228 0.869032 0.547758 0.020 Uiso 1 1 calc R U . . . C15 C 0.4709(2) 0.9741(3) 0.41251(18) 0.0204(7) Uani 1 1 d . . . . . H15 H 0.526423 1.022326 0.444031 0.024 Uiso 1 1 calc R U . . . C31 C 0.3445(2) 0.4565(3) 0.68090(19) 0.0238(7) Uani 1 1 d . . . . . H31 H 0.361723 0.364431 0.693466 0.029 Uiso 1 1 calc R U . . . C7 C 0.5984(2) 0.7022(3) 0.51193(16) 0.0174(6) Uani 1 1 d . . . . . C24 C 0.4907(3) 1.1639(3) 0.6776(2) 0.0309(8) Uani 1 1 d . . . . . H24 H 0.507717 1.253808 0.695583 0.037 Uiso 1 1 calc R U . . . C26 C 0.5111(2) 0.9236(3) 0.69775(19) 0.0229(7) Uani 1 1 d . . . . . H26 H 0.540180 0.849112 0.730021 0.028 Uiso 1 1 calc R U . . . C30 C 0.2684(2) 0.5131(3) 0.69719(18) 0.0239(7) Uani 1 1 d . . . . . H30 H 0.232933 0.459082 0.719533 0.029 Uiso 1 1 calc R U . . . C25 C 0.5340(3) 1.0560(3) 0.7241(2) 0.0291(8) Uani 1 1 d . . . . . H25 H 0.579604 1.071853 0.774195 0.035 Uiso 1 1 calc R U . . . C6 C 0.6695(2) 0.6847(3) 0.41782(18) 0.0217(7) Uani 1 1 d . . . . . C5 C 0.7227(3) 0.7244(4) 0.37423(19) 0.0271(7) Uani 1 1 d . . . . . H5 H 0.725953 0.668990 0.333814 0.033 Uiso 1 1 calc R U . . . C4 C 0.7711(3) 0.8480(4) 0.3914(2) 0.0292(8) Uani 1 1 d . . . . . H4 H 0.808857 0.876134 0.362802 0.035 Uiso 1 1 calc R U . . . C11 C 0.5525(3) 0.3240(3) 0.4993(2) 0.0285(8) Uani 1 1 d . . . . . H11A H 0.589015 0.283644 0.470524 0.043 Uiso 1 1 calc R U . . . H11B H 0.483802 0.324683 0.467309 0.043 Uiso 1 1 calc R U . . . H11C H 0.562624 0.270503 0.545655 0.043 Uiso 1 1 calc R U . . . C23 C 0.4224(3) 1.1423(3) 0.6047(2) 0.0299(8) Uani 1 1 d . . . . . H23 H 0.391388 1.217045 0.573517 0.036 Uiso 1 1 calc R U . . . C3 C 0.7655(2) 0.9305(4) 0.44927(19) 0.0279(8) Uani 1 1 d . . . . . H3 H 0.799744 1.013776 0.460455 0.033 Uiso 1 1 calc R U . . . C12 C 0.5777(3) 0.4919(4) 0.3409(2) 0.0388(9) Uani 1 1 d . . . . . H12A H 0.562065 0.398422 0.349610 0.058 Uiso 1 1 calc R U . . . H12B H 0.622888 0.491563 0.313882 0.058 Uiso 1 1 calc R U . . . H12C H 0.518603 0.539474 0.309768 0.058 Uiso 1 1 calc R U . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 F1 0.0282(11) 0.0301(10) 0.0262(10) -0.0049(8) -0.0060(8) -0.0016(9) F2 0.0384(12) 0.0223(10) 0.0292(10) 0.0079(8) 0.0114(9) 0.0008(9) O1 0.0226(12) 0.0232(11) 0.0240(11) 0.0051(9) 0.0068(10) 0.0002(10) N3 0.0147(13) 0.0199(12) 0.0166(12) 0.0023(10) 0.0037(10) 0.0009(10) N1 0.0193(14) 0.0181(12) 0.0182(13) 0.0002(10) 0.0035(10) 0.0002(11) N2 0.0262(15) 0.0243(13) 0.0206(13) -0.0036(11) 0.0104(12) 0.0013(12) C20 0.0132(15) 0.0182(14) 0.0152(13) 0.0032(11) 0.0032(11) 0.0030(12) C27 0.0125(15) 0.0185(14) 0.0136(13) 0.0005(11) 0.0028(11) -0.0005(11) C10 0.0136(15) 0.0204(15) 0.0219(15) 0.0012(12) 0.0072(12) 0.0023(12) C32 0.0169(15) 0.0217(15) 0.0232(15) -0.0019(12) 0.0053(13) 0.0002(13) C2 0.0210(16) 0.0239(16) 0.0213(15) 0.0005(12) 0.0070(13) -0.0021(13) C18 0.0205(17) 0.0243(16) 0.0199(15) -0.0059(12) 0.0017(13) 0.0029(13) C28 0.0261(17) 0.0182(15) 0.0249(15) 0.0016(12) 0.0121(13) 0.0022(13) C16 0.0284(18) 0.0197(14) 0.0226(16) 0.0042(13) 0.0125(14) 0.0048(14) C14 0.0153(15) 0.0201(15) 0.0174(14) -0.0003(11) 0.0061(12) 0.0038(12) C1 0.0150(15) 0.0251(15) 0.0179(14) 0.0038(12) 0.0045(12) 0.0046(13) C19 0.0215(16) 0.0186(15) 0.0192(14) -0.0008(11) 0.0067(12) 0.0007(13) C9 0.0147(15) 0.0220(15) 0.0173(14) 0.0009(11) 0.0038(12) -0.0007(12) C17 0.0284(19) 0.0249(16) 0.0169(14) 0.0003(12) 0.0046(13) 0.0084(14) C8 0.0179(15) 0.0195(14) 0.0183(14) -0.0014(11) 0.0036(12) 0.0035(12) C21 0.0167(15) 0.0197(14) 0.0227(15) -0.0016(12) 0.0106(12) -0.0009(13) C29 0.0237(17) 0.0244(15) 0.0291(17) 0.0017(13) 0.0144(14) 0.0021(14) C22 0.0252(18) 0.0205(15) 0.0291(17) 0.0039(13) 0.0135(14) 0.0048(13) C13 0.0171(15) 0.0173(13) 0.0154(14) -0.0006(11) 0.0061(12) 0.0002(12) C15 0.0204(17) 0.0197(15) 0.0205(15) -0.0016(12) 0.0069(13) 0.0018(12) C31 0.0258(18) 0.0184(14) 0.0265(16) 0.0036(13) 0.0090(14) 0.0016(13) C7 0.0162(15) 0.0182(14) 0.0160(14) -0.0011(11) 0.0039(12) 0.0007(12) C24 0.0276(19) 0.0192(16) 0.055(2) -0.0103(15) 0.0263(18) -0.0044(15) C26 0.0179(16) 0.0253(15) 0.0271(16) -0.0012(13) 0.0100(13) 0.0007(13) C30 0.0263(18) 0.0219(16) 0.0251(17) -0.0006(13) 0.0116(14) -0.0049(14) C25 0.0197(18) 0.0300(18) 0.0370(19) -0.0111(15) 0.0097(15) -0.0059(14) C6 0.0180(16) 0.0243(16) 0.0213(15) 0.0050(12) 0.0054(13) 0.0054(13) C5 0.0271(19) 0.0329(19) 0.0229(16) 0.0051(14) 0.0111(14) 0.0111(15) C4 0.0229(18) 0.041(2) 0.0275(17) 0.0120(15) 0.0137(14) 0.0046(16) C11 0.0296(19) 0.0201(16) 0.0310(18) -0.0013(13) 0.0052(15) -0.0025(14) C23 0.029(2) 0.0205(16) 0.048(2) 0.0034(15) 0.0242(17) 0.0027(15) C3 0.0204(18) 0.0346(19) 0.0279(18) 0.0088(14) 0.0078(15) -0.0021(14) C12 0.047(2) 0.045(2) 0.0263(18) -0.0135(17) 0.0150(17) -0.0084(19) 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 F1 C18 1.367(4) . ? F2 C16 1.357(4) . ? O1 C10 1.226(4) . ? N3 C20 1.277(4) . ? N3 C13 1.469(4) . ? N1 C10 1.358(4) . ? N1 C8 1.451(4) . ? N1 C11 1.446(4) . ? N2 C8 1.468(4) . ? N2 C6 1.404(4) . ? N2 C12 1.459(4) . ? C20 C27 1.491(4) . ? C20 C21 1.507(4) . ? C27 C32 1.397(4) . ? C27 C28 1.390(4) . ? C10 C9 1.512(4) . ? C32 H32 0.9500 . ? C32 C31 1.388(5) . ? C2 H2 0.9500 . ? C2 C1 1.384(4) . ? C2 C3 1.395(5) . ? C18 C19 1.377(4) . ? C18 C17 1.371(5) . ? C28 H28 0.9500 . ? C28 C29 1.387(5) . ? C16 C17 1.379(5) . ? C16 C15 1.385(4) . ? C14 C19 1.394(4) . ? C14 C13 1.515(4) . ? C14 C15 1.397(4) . ? C1 C7 1.501(4) . ? C1 C6 1.399(5) . ? C19 H19 0.9500 . ? C9 H9A 0.9900 . ? C9 H9B 0.9900 . ? C9 C7 1.543(4) . ? C17 H17 0.9500 . ? C8 H8 1.0000 . ? C8 C7 1.563(4) . ? C21 C22 1.388(4) . ? C21 C26 1.396(4) . ? C29 H29 0.9500 . ? C29 C30 1.381(5) . ? C22 H22 0.9500 . ? C22 C23 1.392(5) . ? C13 H13 1.0000 . ? C13 C7 1.560(4) . ? C15 H15 0.9500 . ? C31 H31 0.9500 . ? C31 C30 1.395(5) . ? C24 H24 0.9500 . ? C24 C25 1.377(5) . ? C24 C23 1.390(6) . ? C26 H26 0.9500 . ? C26 C25 1.394(5) . ? C30 H30 0.9500 . ? C25 H25 0.9500 . ? C6 C5 1.387(5) . ? C5 H5 0.9500 . ? C5 C4 1.394(5) . ? C4 H4 0.9500 . ? C4 C3 1.383(5) . ? C11 H11A 0.9800 . ? C11 H11B 0.9800 . ? C11 H11C 0.9800 . ? C23 H23 0.9500 . ? C3 H3 0.9500 . ? C12 H12A 0.9800 . ? C12 H12B 0.9800 . ? C12 H12C 0.9800 . ? 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 C20 N3 C13 118.9(2) . . ? C10 N1 C8 114.0(2) . . ? C10 N1 C11 123.5(3) . . ? C11 N1 C8 121.9(2) . . ? C6 N2 C8 108.8(2) . . ? C6 N2 C12 119.6(3) . . ? C12 N2 C8 117.6(3) . . ? N3 C20 C27 119.2(3) . . ? N3 C20 C21 124.4(3) . . ? C27 C20 C21 116.4(3) . . ? C32 C27 C20 121.5(3) . . ? C28 C27 C20 119.7(3) . . ? C28 C27 C32 118.9(3) . . ? O1 C10 N1 125.3(3) . . ? O1 C10 C9 126.1(3) . . ? N1 C10 C9 108.6(3) . . ? C27 C32 H32 120.0 . . ? C31 C32 C27 119.9(3) . . ? C31 C32 H32 120.0 . . ? C1 C2 H2 120.3 . . ? C1 C2 C3 119.4(3) . . ? C3 C2 H2 120.3 . . ? F1 C18 C19 117.3(3) . . ? F1 C18 C17 118.0(3) . . ? C17 C18 C19 124.6(3) . . ? C27 C28 H28 119.4 . . ? C29 C28 C27 121.3(3) . . ? C29 C28 H28 119.4 . . ? F2 C16 C17 118.3(3) . . ? F2 C16 C15 117.8(3) . . ? C17 C16 C15 123.8(3) . . ? C19 C14 C13 121.9(3) . . ? C19 C14 C15 119.1(3) . . ? C15 C14 C13 118.9(3) . . ? C2 C1 C7 130.1(3) . . ? C2 C1 C6 120.0(3) . . ? C6 C1 C7 109.9(3) . . ? C18 C19 C14 118.6(3) . . ? C18 C19 H19 120.7 . . ? C14 C19 H19 120.7 . . ? C10 C9 H9A 110.7 . . ? C10 C9 H9B 110.7 . . ? C10 C9 C7 105.2(2) . . ? H9A C9 H9B 108.8 . . ? C7 C9 H9A 110.7 . . ? C7 C9 H9B 110.7 . . ? C18 C17 C16 115.1(3) . . ? C18 C17 H17 122.5 . . ? C16 C17 H17 122.5 . . ? N1 C8 N2 114.3(3) . . ? N1 C8 H8 110.3 . . ? N1 C8 C7 105.2(2) . . ? N2 C8 H8 110.3 . . ? N2 C8 C7 106.1(3) . . ? C7 C8 H8 110.3 . . ? C22 C21 C20 121.7(3) . . ? C22 C21 C26 120.0(3) . . ? C26 C21 C20 118.3(3) . . ? C28 C29 H29 120.2 . . ? C30 C29 C28 119.5(3) . . ? C30 C29 H29 120.2 . . ? C21 C22 H22 119.9 . . ? C21 C22 C23 120.2(3) . . ? C23 C22 H22 119.9 . . ? N3 C13 C14 110.0(2) . . ? N3 C13 H13 108.1 . . ? N3 C13 C7 107.1(2) . . ? C14 C13 H13 108.1 . . ? C14 C13 C7 115.1(2) . . ? C7 C13 H13 108.1 . . ? C16 C15 C14 118.8(3) . . ? C16 C15 H15 120.6 . . ? C14 C15 H15 120.6 . . ? C32 C31 H31 119.8 . . ? C32 C31 C30 120.4(3) . . ? C30 C31 H31 119.8 . . ? C1 C7 C9 114.3(3) . . ? C1 C7 C8 102.9(2) . . ? C1 C7 C13 114.1(2) . . ? C9 C7 C8 103.9(2) . . ? C9 C7 C13 108.4(2) . . ? C13 C7 C8 112.7(2) . . ? C25 C24 H24 119.7 . . ? C25 C24 C23 120.6(3) . . ? C23 C24 H24 119.7 . . ? C21 C26 H26 120.3 . . ? C25 C26 C21 119.5(3) . . ? C25 C26 H26 120.3 . . ? C29 C30 C31 119.9(3) . . ? C29 C30 H30 120.0 . . ? C31 C30 H30 120.0 . . ? C24 C25 C26 120.2(3) . . ? C24 C25 H25 119.9 . . ? C26 C25 H25 119.9 . . ? C1 C6 N2 111.3(3) . . ? C5 C6 N2 127.6(3) . . ? C5 C6 C1 121.1(3) . . ? C6 C5 H5 121.0 . . ? C6 C5 C4 118.1(3) . . ? C4 C5 H5 121.0 . . ? C5 C4 H4 119.3 . . ? C3 C4 C5 121.4(3) . . ? C3 C4 H4 119.3 . . ? N1 C11 H11A 109.5 . . ? N1 C11 H11B 109.5 . . ? N1 C11 H11C 109.5 . . ? H11A C11 H11B 109.5 . . ? H11A C11 H11C 109.5 . . ? H11B C11 H11C 109.5 . . ? C22 C23 H23 120.2 . . ? C24 C23 C22 119.5(3) . . ? C24 C23 H23 120.2 . . ? C2 C3 H3 120.0 . . ? C4 C3 C2 120.0(3) . . ? C4 C3 H3 120.0 . . ? N2 C12 H12A 109.5 . . ? N2 C12 H12B 109.5 . . ? N2 C12 H12C 109.5 . . ? H12A C12 H12B 109.5 . . ? H12A C12 H12C 109.5 . . ? H12B C12 H12C 109.5 . . ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag F1 C18 C19 C14 -177.8(3) . . . . ? F1 C18 C17 C16 177.3(3) . . . . ? F2 C16 C17 C18 -177.1(3) . . . . ? F2 C16 C15 C14 177.5(3) . . . . ? O1 C10 C9 C7 -163.7(3) . . . . ? N3 C20 C27 C32 37.4(4) . . . . ? N3 C20 C27 C28 -142.8(3) . . . . ? N3 C20 C21 C22 69.9(4) . . . . ? N3 C20 C21 C26 -109.1(4) . . . . ? N3 C13 C7 C1 175.0(2) . . . . ? N3 C13 C7 C9 -56.3(3) . . . . ? N3 C13 C7 C8 58.2(3) . . . . ? N1 C10 C9 C7 17.3(3) . . . . ? N1 C8 C7 C1 130.0(3) . . . . ? N1 C8 C7 C9 10.5(3) . . . . ? N1 C8 C7 C13 -106.7(3) . . . . ? N2 C8 C7 C1 8.5(3) . . . . ? N2 C8 C7 C9 -111.0(3) . . . . ? N2 C8 C7 C13 131.8(2) . . . . ? N2 C6 C5 C4 -174.7(3) . . . . ? C20 N3 C13 C14 -100.8(3) . . . . ? C20 N3 C13 C7 133.4(3) . . . . ? C20 C27 C32 C31 178.7(3) . . . . ? C20 C27 C28 C29 179.3(3) . . . . ? C20 C21 C22 C23 -176.8(3) . . . . ? C20 C21 C26 C25 176.3(3) . . . . ? C27 C20 C21 C22 -110.7(3) . . . . ? C27 C20 C21 C26 70.4(4) . . . . ? C27 C32 C31 C30 2.4(5) . . . . ? C27 C28 C29 C30 1.7(5) . . . . ? C10 N1 C8 N2 116.0(3) . . . . ? C10 N1 C8 C7 0.1(4) . . . . ? C10 C9 C7 C1 -127.8(3) . . . . ? C10 C9 C7 C8 -16.4(3) . . . . ? C10 C9 C7 C13 103.7(3) . . . . ? C32 C27 C28 C29 -1.0(5) . . . . ? C32 C31 C30 C29 -1.7(5) . . . . ? C2 C1 C7 C9 -69.1(4) . . . . ? C2 C1 C7 C8 178.9(3) . . . . ? C2 C1 C7 C13 56.5(4) . . . . ? C2 C1 C6 N2 174.9(3) . . . . ? C2 C1 C6 C5 -3.3(5) . . . . ? C28 C27 C32 C31 -1.0(4) . . . . ? C28 C29 C30 C31 -0.3(5) . . . . ? C14 C13 C7 C1 52.3(3) . . . . ? C14 C13 C7 C9 -179.0(3) . . . . ? C14 C13 C7 C8 -64.5(3) . . . . ? C1 C2 C3 C4 0.7(5) . . . . ? C1 C6 C5 C4 3.1(5) . . . . ? C19 C18 C17 C16 -0.7(5) . . . . ? C19 C14 C13 N3 -28.3(4) . . . . ? C19 C14 C13 C7 92.8(4) . . . . ? C19 C14 C15 C16 -0.2(5) . . . . ? C17 C18 C19 C14 0.2(5) . . . . ? C17 C16 C15 C14 -0.3(5) . . . . ? C8 N1 C10 O1 169.9(3) . . . . ? C8 N1 C10 C9 -11.1(4) . . . . ? C8 N2 C6 C1 8.6(4) . . . . ? C8 N2 C6 C5 -173.4(3) . . . . ? C21 C20 C27 C32 -142.1(3) . . . . ? C21 C20 C27 C28 37.7(4) . . . . ? C21 C22 C23 C24 0.2(5) . . . . ? C21 C26 C25 C24 0.9(5) . . . . ? C22 C21 C26 C25 -2.6(5) . . . . ? C13 N3 C20 C27 -176.6(2) . . . . ? C13 N3 C20 C21 2.9(4) . . . . ? C13 C14 C19 C18 176.4(3) . . . . ? C13 C14 C15 C16 -176.5(3) . . . . ? C15 C16 C17 C18 0.7(5) . . . . ? C15 C14 C19 C18 0.2(5) . . . . ? C15 C14 C13 N3 148.0(3) . . . . ? C15 C14 C13 C7 -90.9(3) . . . . ? C7 C1 C6 N2 -2.7(4) . . . . ? C7 C1 C6 C5 179.1(3) . . . . ? C26 C21 C22 C23 2.1(5) . . . . ? C25 C24 C23 C22 -1.9(5) . . . . ? C6 N2 C8 N1 -126.0(3) . . . . ? C6 N2 C8 C7 -10.5(3) . . . . ? C6 C1 C7 C9 108.2(3) . . . . ? C6 C1 C7 C8 -3.7(3) . . . . ? C6 C1 C7 C13 -126.2(3) . . . . ? C6 C5 C4 C3 -1.1(5) . . . . ? C5 C4 C3 C2 -0.8(5) . . . . ? C11 N1 C10 O1 -1.3(5) . . . . ? C11 N1 C10 C9 177.7(3) . . . . ? C11 N1 C8 N2 -72.6(4) . . . . ? C11 N1 C8 C7 171.4(3) . . . . ? C23 C24 C25 C26 1.3(5) . . . . ? C3 C2 C1 C7 178.4(3) . . . . ? C3 C2 C1 C6 1.3(5) . . . . ? C12 N2 C8 N1 94.0(3) . . . . ? C12 N2 C8 C7 -150.6(3) . . . . ? C12 N2 C6 C1 147.7(3) . . . . ? C12 N2 C6 C5 -34.3(5) . . . . ? _shelx_res_file ; TITL 1_a.res in Cc 1.res created by SHELXL-2018/3 at 14:36:11 on 05-Sep-2023 REM Old TITL 1 in Cc REM SHELXT solution in Cc: R1 0.086, Rweak 0.020, Alpha 0.001 REM 0.329 for 161 systematic absences, Orientation as input REM Flack x = 0.026 ( 0.486 ) from 1775 Parsons' quotients REM Formula found by SHELXT: C32 N3 F3 CELL 0.71073 14.9152 9.8681 18.7455 90 111.468 90 ZERR 4 0.0016 0.0009 0.0019 0 0.004 0 LATT -7 SYMM +X,-Y,0.5+Z SFAC C H F N O UNIT 128 108 8 12 4 L.S. 20 PLAN 1 SIZE 0.16 0.17 0.19 TEMP -173.15 CONF BOND list 4 MORE -1 BOND $H fmap 2 53 acta REM REM REM WGHT 0.052500 0.021800 FVAR 0.56855 F1 3 0.228449 0.773396 0.275436 11.00000 0.02818 0.03014 = 0.02618 -0.00490 -0.00597 -0.00156 F2 3 0.430779 1.154008 0.324466 11.00000 0.03842 0.02233 = 0.02920 0.00791 0.01139 0.00082 O1 5 0.635192 0.435061 0.651021 11.00000 0.02262 0.02319 = 0.02395 0.00512 0.00682 0.00024 N3 4 0.453933 0.707100 0.543778 11.00000 0.01469 0.01989 = 0.01655 0.00235 0.00373 0.00090 N1 4 0.585195 0.461351 0.520561 11.00000 0.01934 0.01808 = 0.01818 0.00023 0.00349 0.00025 N2 4 0.621574 0.560914 0.414368 11.00000 0.02617 0.02430 = 0.02058 -0.00362 0.01042 0.00126 C20 1 0.426210 0.757562 0.594968 11.00000 0.01321 0.01820 = 0.01516 0.00321 0.00316 0.00299 C27 1 0.372136 0.670575 0.630463 11.00000 0.01253 0.01848 = 0.01356 0.00045 0.00277 -0.00047 C10 1 0.624315 0.504722 0.594284 11.00000 0.01363 0.02040 = 0.02190 0.00121 0.00717 0.00235 C32 1 0.395024 0.533843 0.646410 11.00000 0.01694 0.02170 = 0.02317 -0.00189 0.00532 0.00021 AFIX 43 H32 2 0.445149 0.493858 0.633663 11.00000 -1.20000 AFIX 0 C2 1 0.709454 0.891292 0.491218 11.00000 0.02099 0.02387 = 0.02126 0.00052 0.00703 -0.00211 AFIX 43 H2 2 0.704793 0.948070 0.530642 11.00000 -1.20000 AFIX 0 C18 1 0.310295 0.840082 0.319610 11.00000 0.02049 0.02434 = 0.01989 -0.00592 0.00166 0.00289 C28 1 0.297446 0.726047 0.648564 11.00000 0.02610 0.01823 = 0.02488 0.00159 0.01214 0.00219 AFIX 43 H28 2 0.282149 0.819306 0.638643 11.00000 -1.20000 AFIX 0 C16 1 0.410313 1.028334 0.343620 11.00000 0.02840 0.01969 = 0.02263 0.00420 0.01245 0.00481 C14 1 0.448997 0.847081 0.434792 11.00000 0.01528 0.02006 = 0.01744 -0.00026 0.00612 0.00379 C1 1 0.660716 0.768974 0.474880 11.00000 0.01499 0.02512 = 0.01788 0.00384 0.00446 0.00462 C19 1 0.366886 0.779351 0.387227 11.00000 0.02148 0.01863 = 0.01923 -0.00081 0.00669 0.00066 AFIX 43 H19 2 0.350306 0.693032 0.401181 11.00000 -1.20000 AFIX 0 C9 1 0.653427 0.651502 0.594317 11.00000 0.01474 0.02198 = 0.01726 0.00088 0.00377 -0.00070 AFIX 23 H9A 2 0.723859 0.659383 0.607607 11.00000 -1.20000 H9B 2 0.635137 0.704567 0.631716 11.00000 -1.20000 AFIX 0 C17 1 0.328861 0.963944 0.294822 11.00000 0.02841 0.02488 = 0.01688 0.00033 0.00460 0.00841 AFIX 43 H17 2 0.288587 1.002567 0.247519 11.00000 -1.20000 AFIX 0 C8 1 0.565407 0.569115 0.464248 11.00000 0.01785 0.01951 = 0.01830 -0.00141 0.00359 0.00348 AFIX 13 H8 2 0.494955 0.573013 0.432770 11.00000 -1.20000 AFIX 0 C21 1 0.445010 0.901371 0.623565 11.00000 0.01674 0.01974 = 0.02274 -0.00160 0.01058 -0.00094 C29 1 0.244802 0.647885 0.680834 11.00000 0.02368 0.02440 = 0.02909 0.00170 0.01438 0.00209 AFIX 43 H29 2 0.192868 0.686784 0.691599 11.00000 -1.20000 AFIX 0 C22 1 0.399814 1.010466 0.577820 11.00000 0.02522 0.02048 = 0.02909 0.00390 0.01347 0.00476 AFIX 43 H22 2 0.353308 0.995106 0.527985 11.00000 -1.20000 AFIX 0 C13 1 0.511900 0.790972 0.512213 11.00000 0.01711 0.01733 = 0.01539 -0.00064 0.00615 0.00019 AFIX 13 H13 2 0.538228 0.869032 0.547758 11.00000 -1.20000 AFIX 0 C15 1 0.470945 0.974098 0.412507 11.00000 0.02038 0.01972 = 0.02055 -0.00161 0.00695 0.00177 AFIX 43 H15 2 0.526423 1.022326 0.444031 11.00000 -1.20000 AFIX 0 C31 1 0.344457 0.456478 0.680895 11.00000 0.02583 0.01842 = 0.02652 0.00360 0.00900 0.00162 AFIX 43 H31 2 0.361723 0.364431 0.693466 11.00000 -1.20000 AFIX 0 C7 1 0.598354 0.702217 0.511925 11.00000 0.01622 0.01819 = 0.01598 -0.00106 0.00392 0.00066 C24 1 0.490729 1.163880 0.677635 11.00000 0.02763 0.01922 = 0.05531 -0.01029 0.02626 -0.00436 AFIX 43 H24 2 0.507717 1.253808 0.695583 11.00000 -1.20000 AFIX 0 C26 1 0.511079 0.923599 0.697746 11.00000 0.01786 0.02534 = 0.02706 -0.00118 0.00997 0.00067 AFIX 43 H26 2 0.540180 0.849112 0.730021 11.00000 -1.20000 AFIX 0 C30 1 0.268432 0.513137 0.697195 11.00000 0.02635 0.02194 = 0.02513 -0.00061 0.01161 -0.00488 AFIX 43 H30 2 0.232933 0.459082 0.719533 11.00000 -1.20000 AFIX 0 C25 1 0.533989 1.056008 0.724061 11.00000 0.01966 0.03004 = 0.03700 -0.01108 0.00965 -0.00588 AFIX 43 H25 2 0.579604 1.071853 0.774195 11.00000 -1.20000 AFIX 0 C6 1 0.669489 0.684665 0.417818 11.00000 0.01800 0.02429 = 0.02130 0.00495 0.00538 0.00539 C5 1 0.722669 0.724410 0.374226 11.00000 0.02707 0.03290 = 0.02290 0.00510 0.01105 0.01108 AFIX 43 H5 2 0.725953 0.668990 0.333814 11.00000 -1.20000 AFIX 0 C4 1 0.771140 0.847981 0.391425 11.00000 0.02291 0.04086 = 0.02752 0.01204 0.01371 0.00463 AFIX 43 H4 2 0.808857 0.876134 0.362802 11.00000 -1.20000 AFIX 0 C11 1 0.552525 0.323971 0.499298 11.00000 0.02960 0.02007 = 0.03101 -0.00135 0.00522 -0.00254 AFIX 137 H11A 2 0.589015 0.283644 0.470524 11.00000 -1.50000 H11B 2 0.483802 0.324683 0.467309 11.00000 -1.50000 H11C 2 0.562624 0.270503 0.545655 11.00000 -1.50000 AFIX 0 C23 1 0.422426 1.142312 0.604745 11.00000 0.02914 0.02046 = 0.04845 0.00338 0.02422 0.00274 AFIX 43 H23 2 0.391388 1.217045 0.573517 11.00000 -1.20000 AFIX 0 C3 1 0.765487 0.930465 0.449274 11.00000 0.02035 0.03461 = 0.02791 0.00878 0.00780 -0.00209 AFIX 43 H3 2 0.799744 1.013776 0.460455 11.00000 -1.20000 AFIX 0 C12 1 0.577677 0.491927 0.340870 11.00000 0.04683 0.04458 = 0.02633 -0.01346 0.01500 -0.00839 AFIX 137 H12A 2 0.562065 0.398422 0.349610 11.00000 -1.50000 H12B 2 0.622888 0.491563 0.313882 11.00000 -1.50000 H12C 2 0.518603 0.539474 0.309768 11.00000 -1.50000 AFIX 0 HKLF 4 REM 1_a.res in Cc REM wR2 = 0.1184, GooF = S = 1.075, Restrained GooF = 1.075 for all data REM R1 = 0.0503 for 4877 Fo > 4sig(Fo) and 0.0640 for all 5799 data REM 345 parameters refined using 2 restraints END WGHT 0.0522 0.0218 REM Highest difference peak 0.227, deepest hole -0.221, 1-sigma level 0.053 Q1 1 0.3141 0.9168 0.3266 11.00000 0.05 0.23 ; _shelx_res_checksum 57496 _shelx_hkl_file ; 2 0 0 1143.79 56.59 2 0 0 1081.29 56.89 -2 0 0 1186.58 57.19 -2 0 0 1194.08 56.89 -4 0 0 863.21 44.90 4 0 0 838.72 44.90 4 0 0 767.62 45.40 -4 0 0 875.31 45.90 6 0 0 2619.64 139.09 6 0 0 2914.21 138.79 -6 0 0 2757.32 137.89 8 0 0 56.99 12.20 8 0 0 38.10 8.90 -8 0 0 39.60 8.60 -10 0 0 459.35 35.10 10 0 0 416.96 34.50 10 0 0 452.35 32.70 10 0 0 467.95 37.10 12 0 0 7.80 5.90 12 0 0 -3.10 6.70 12 0 0 7.40 6.20 -12 0 0 1.80 6.70 14 0 0 152.08 25.90 -14 0 0 259.97 45.60 14 0 0 212.58 30.80 14 0 0 229.38 36.70 16 0 0 10.50 14.40 16 0 0 29.20 16.80 18 0 0 38.90 24.10 1 -1 0 1208.78 60.99 1 -1 0 1332.07 59.39 1 -1 0 1244.98 58.29 -1 1 0 1075.89 58.79 -1 1 0 1239.18 58.19 -1 1 0 1127.39 59.29 5 -1 0 2210.38 113.99 5 -1 0 2511.85 117.19 5 1 0 2032.10 113.29 -5 1 0 2501.85 118.39 7 -1 0 138.09 15.10 -7 -1 0 137.49 13.40 7 -1 0 143.89 13.70 7 -1 0 142.59 16.60 -7 1 0 149.19 15.60 7 1 0 127.59 13.70 7 1 0 129.19 14.00 9 -1 0 798.72 47.70 9 -1 0 846.22 53.79 -9 -1 0 804.22 48.30 9 -1 0 757.32 50.39 -9 1 0 819.12 51.09 9 1 0 670.73 48.30 9 1 0 725.13 48.20 11 -1 0 580.14 38.90 11 -1 0 453.95 39.00 11 -1 0 522.95 43.30 11 1 0 446.56 37.70 11 1 0 533.95 41.20 -11 1 0 567.14 41.80 13 -1 0 115.09 19.10 13 -1 0 222.98 40.60 13 -1 0 97.79 16.90 13 1 0 131.79 22.80 13 1 0 99.49 17.60 13 1 0 141.49 24.10 15 -1 0 -4.10 10.80 15 -1 0 1.70 9.50 15 -1 0 6.80 11.90 15 1 0 -8.80 11.10 15 1 0 8.40 12.10 15 1 0 -5.00 8.50 17 -1 0 91.49 21.20 17 -1 0 105.39 33.20 17 1 0 67.39 21.60 0 -2 0 77.59 6.30 0 -2 0 90.19 6.90 0 -2 0 86.49 6.70 0 2 0 89.19 6.80 0 2 0 68.79 6.10 0 2 0 91.79 7.00 2 -2 0 930.41 49.80 2 -2 0 913.21 52.19 2 -2 0 1089.99 52.19 -2 2 0 963.80 51.69 -2 2 0 988.60 49.99 -2 2 0 926.61 52.09 2 2 0 1078.69 50.19 4 -2 0 3697.23 173.08 4 -2 0 3506.65 177.08 -4 2 0 3626.64 172.78 4 2 0 3478.55 169.98 4 2 0 3574.54 169.98 -6 -2 0 290.77 19.70 6 -2 0 279.87 21.40 6 -2 0 333.77 26.60 6 2 0 349.87 21.50 6 2 0 284.27 20.50 -6 2 0 363.06 26.80 -8 -2 0 253.47 20.00 8 -2 0 263.37 21.30 8 -2 0 271.67 24.20 8 2 0 227.58 22.60 8 2 0 231.58 20.10 -8 2 0 298.17 25.50 10 -2 0 84.29 18.20 10 -2 0 84.59 19.50 -10 -2 0 82.49 14.70 10 -2 0 96.39 15.90 10 2 0 65.09 13.00 10 2 0 101.79 17.10 -10 2 0 70.19 13.90 12 -2 0 16.80 8.30 12 -2 0 14.10 9.00 12 -2 0 -2.80 6.60 12 2 0 11.00 7.00 12 2 0 33.20 10.70 14 -2 0 1163.88 72.29 14 -2 0 1150.38 81.49 14 -2 0 1023.90 74.89 14 2 0 1024.90 94.99 14 2 0 1066.09 72.49 16 -2 0 398.36 44.50 16 -2 0 584.14 58.19 16 2 0 465.65 44.40 16 2 0 475.15 45.90 18 -2 0 109.59 26.20 18 -2 0 95.19 35.90 18 2 0 113.59 25.90 18 2 0 80.79 25.10 1 -3 0 607.34 34.40 1 -3 0 561.64 33.20 -1 -3 0 637.14 32.90 1 -3 0 622.94 32.90 -1 -3 0 602.34 30.80 -1 3 0 583.24 34.00 1 3 0 595.34 31.10 1 3 0 543.55 30.40 -1 3 0 590.94 32.50 1 3 0 616.74 32.60 3 -3 0 208.38 16.90 3 -3 0 200.88 17.70 3 -3 0 197.68 15.00 -3 3 0 207.88 15.10 3 3 0 211.98 15.00 -3 3 0 205.48 17.60 -3 3 0 214.78 17.30 5 -3 0 675.13 39.80 5 -3 0 562.34 40.10 5 -3 0 582.04 35.90 -5 3 0 669.03 40.20 -5 3 0 509.95 37.40 -5 3 0 633.74 40.60 7 -3 0 411.26 34.60 7 -3 0 466.65 33.60 7 -3 0 451.05 30.40 7 3 0 425.56 27.00 -7 3 0 482.65 34.70 7 3 0 417.26 27.10 9 -3 0 46.80 10.60 9 -3 0 79.19 15.70 9 3 0 72.89 11.70 9 3 0 89.29 11.70 11 -3 0 284.37 26.60 11 -3 0 280.77 29.20 11 -3 0 309.57 38.60 11 3 0 265.87 24.70 -11 3 0 284.57 30.30 13 -3 0 50.89 16.70 13 -3 0 40.10 11.90 13 3 0 91.39 17.00 13 3 0 67.69 15.30 15 -3 0 325.07 44.00 15 -3 0 257.77 34.00 15 3 0 287.57 31.00 15 3 0 335.47 33.80 17 -3 0 58.19 29.90 17 3 0 117.39 25.00 17 3 0 112.09 23.20 0 -4 0 1963.10 94.89 0 -4 0 1919.31 94.69 0 -4 0 1762.02 93.69 0 4 0 1917.71 94.79 0 4 0 1970.60 94.29 0 4 0 1784.42 93.69 -2 -4 0 62.59 7.50 2 -4 0 65.79 11.10 2 -4 0 66.79 11.20 2 -4 0 52.19 7.90 -2 4 0 64.39 10.70 -2 4 0 52.69 9.30 2 4 0 40.70 6.80 -2 4 0 44.50 7.00 4 -4 0 640.44 43.70 4 -4 0 712.33 43.00 4 -4 0 672.33 39.70 -4 4 0 636.74 41.80 4 4 0 639.84 38.90 -4 4 0 719.83 43.50 -4 4 0 697.73 44.00 6 -4 0 145.59 18.70 6 -4 0 163.08 15.60 6 -4 0 150.78 17.30 -6 4 0 150.48 18.30 -6 4 0 126.79 14.00 -6 4 0 145.69 18.00 8 -4 0 194.58 19.90 8 -4 0 208.68 25.10 8 -4 0 219.58 23.40 8 4 0 220.58 16.50 -8 4 0 213.18 23.90 8 4 0 223.18 15.90 10 -4 0 138.89 20.00 10 -4 0 112.39 22.20 10 4 0 145.09 15.30 10 4 0 136.89 14.20 12 -4 0 45.40 14.30 12 -4 0 50.79 14.00 12 4 0 92.39 15.40 -12 4 0 73.09 20.20 14 -4 0 11.10 10.00 14 -4 0 14.30 15.20 14 4 0 31.50 11.30 -14 4 0 -2.30 18.40 14 4 0 19.60 11.10 16 -4 0 158.18 37.80 16 -4 0 106.89 27.70 16 4 0 125.09 21.90 16 4 0 160.28 32.40 1 -5 0 967.90 52.89 -1 -5 0 1020.00 50.99 1 -5 0 1003.70 54.99 1 -5 0 841.62 52.69 -1 -5 0 941.51 52.49 -1 5 0 959.00 53.79 1 5 0 997.90 52.39 -1 5 0 969.20 52.19 -1 5 0 875.11 56.99 1 5 0 941.81 50.39 3 -5 0 75.29 14.10 3 -5 0 53.59 9.20 3 -5 0 34.70 7.80 3 5 0 50.39 8.40 -3 5 0 64.39 10.00 -3 5 0 55.99 10.30 -3 5 0 64.89 12.90 5 -5 0 39.20 9.00 5 -5 0 25.30 8.20 5 -5 0 20.80 8.40 -5 5 0 54.29 13.10 -5 5 0 48.80 12.60 -5 5 0 35.80 7.80 5 5 0 33.70 7.50 7 -5 0 763.62 56.09 7 -5 0 771.22 48.70 -7 5 0 831.92 54.89 -7 5 0 792.22 48.50 7 5 0 765.52 47.80 9 -5 0 70.59 14.70 9 -5 0 194.88 46.50 -9 5 0 89.89 18.90 11 -5 0 144.99 24.90 11 -5 0 123.19 23.50 11 -5 0 99.89 18.30 11 5 0 169.88 15.10 -11 5 0 256.17 42.60 11 5 0 138.69 13.10 13 -5 0 82.09 19.30 13 -5 0 94.49 23.50 13 5 0 93.69 15.00 -13 5 0 79.29 22.90 13 5 0 74.99 12.80 15 -5 0 37.20 15.70 15 5 0 49.30 12.60 17 -5 0 -2.30 16.30 17 5 0 7.60 10.40 17 5 0 2.00 10.50 0 -6 0 699.23 42.90 0 -6 0 740.53 43.00 0 -6 0 753.72 43.30 0 6 0 673.03 42.60 2 -6 0 608.94 40.20 -2 -6 0 592.14 37.60 2 -6 0 598.54 38.40 -2 -6 0 617.84 33.20 -2 -6 0 610.94 33.30 2 -6 0 644.04 41.70 -2 6 0 570.54 39.70 -2 6 0 588.24 37.10 2 6 0 649.93 38.00 4 -6 0 59.19 11.70 4 -6 0 89.19 13.70 4 -6 0 58.99 11.50 -4 6 0 98.59 17.30 -4 6 0 114.19 15.00 4 6 0 100.59 12.00 6 -6 0 133.99 18.20 6 -6 0 93.89 17.50 6 -6 0 95.69 17.00 6 6 0 126.59 14.70 -6 6 0 138.99 15.30 -6 6 0 147.79 19.80 8 -6 0 125.69 40.40 8 -6 0 27.20 8.30 8 -6 0 40.20 11.60 -8 6 0 65.99 13.00 8 6 0 41.60 9.90 -8 6 0 53.79 14.90 10 -6 0 191.88 22.80 10 -6 0 126.89 22.50 10 -6 0 140.69 25.80 -10 6 0 184.28 31.50 10 6 0 164.78 19.30 12 -6 0 18.80 15.30 12 -6 0 21.00 9.10 12 -6 0 26.60 13.20 -12 6 0 43.80 27.60 14 -6 0 54.69 14.20 -1 -7 0 418.36 26.80 1 -7 0 367.46 28.70 1 -7 0 420.16 30.80 -1 -7 0 397.16 29.00 -1 7 0 380.96 27.80 -1 7 0 372.66 29.60 1 7 0 397.36 28.00 3 -7 0 444.96 36.80 3 -7 0 396.06 34.70 3 -7 0 496.05 37.00 -3 7 0 472.95 36.70 -3 7 0 514.15 33.40 3 7 0 516.75 33.30 5 -7 0 83.89 15.30 5 -7 0 89.99 18.20 5 -7 0 77.09 17.00 5 7 0 81.69 13.40 -5 7 0 115.39 16.10 -5 7 0 94.19 18.80 7 -7 0 1312.67 84.69 7 -7 0 1211.48 78.09 7 -7 0 1149.08 72.39 -7 7 0 1153.28 78.49 7 7 0 1233.98 71.19 -7 7 0 1295.17 72.39 9 -7 0 28.40 9.80 9 -7 0 35.00 15.00 9 -7 0 23.00 10.80 9 7 0 43.40 11.60 -9 7 0 33.40 13.90 11 -7 0 5.30 13.80 11 -7 0 -16.20 9.80 11 7 0 10.90 7.80 -11 7 0 12.00 16.90 13 -7 0 42.00 13.70 13 7 0 72.99 16.10 15 -7 0 13.00 14.90 15 7 0 10.80 11.80 0 -8 0 94.19 14.80 0 -8 0 104.59 13.80 0 -8 0 108.39 14.20 0 8 0 76.39 12.80 -2 -8 0 379.06 24.00 -2 -8 0 332.37 28.40 2 -8 0 384.86 32.20 2 -8 0 412.86 31.40 2 -8 0 356.16 31.70 -2 8 0 426.76 33.70 -2 8 0 369.96 28.60 2 8 0 401.66 29.00 4 -8 0 269.97 29.00 4 -8 0 283.77 26.90 4 -8 0 312.27 31.00 -4 8 0 254.07 28.60 -4 8 0 294.77 25.20 4 8 0 301.27 24.90 6 -8 0 193.68 22.70 6 -8 0 204.08 26.00 6 8 0 202.08 21.00 -6 8 0 189.98 20.60 8 -8 0 8.70 10.80 8 -8 0 32.20 15.50 -8 8 0 18.00 9.10 -8 8 0 42.30 15.50 8 8 0 18.40 9.80 10 -8 0 32.90 26.80 10 -8 0 15.10 11.10 10 -8 0 18.10 12.30 10 8 0 24.00 10.40 -10 8 0 36.00 16.90 12 -8 0 23.20 13.90 14 -8 0 1.80 10.60 14 8 0 10.60 10.60 -1 -9 0 31.00 10.10 -1 -9 0 31.90 8.30 -1 -9 0 21.00 7.00 1 -9 0 29.50 10.30 1 -9 0 44.60 11.70 1 -9 0 31.40 10.60 1 9 0 30.50 8.10 -1 9 0 32.70 9.10 3 -9 0 208.48 25.10 3 -9 0 192.38 22.90 3 -9 0 220.58 25.90 3 9 0 169.38 18.90 -3 9 0 193.88 25.50 -3 9 0 178.48 19.90 5 -9 0 204.58 26.80 5 -9 0 216.88 27.80 -5 9 0 169.68 20.30 5 9 0 208.08 21.80 -5 9 0 192.78 29.80 7 -9 0 647.14 56.19 7 -9 0 627.44 53.69 -7 9 0 580.24 53.29 7 9 0 648.34 45.00 9 -9 0 91.49 24.20 9 -9 0 94.59 18.90 9 9 0 76.19 15.90 -9 9 0 106.59 25.40 -9 9 0 65.09 15.40 11 -9 0 -4.10 11.50 11 9 0 38.30 20.90 -11 9 0 21.20 20.30 13 -9 0 16.80 12.00 13 9 0 4.90 13.00 0 -10 0 318.77 29.50 0 -10 0 278.27 25.60 0 -10 0 291.07 25.70 0 10 0 270.17 25.20 2 -10 0 41.60 11.80 -2 -10 0 40.50 12.80 2 -10 0 53.59 14.20 2 -10 0 71.99 16.20 2 10 0 33.10 9.90 -2 10 0 50.49 12.20 4 -10 0 5.80 12.20 4 -10 0 3.40 8.10 4 -10 0 -1.70 10.30 -4 10 0 -1.40 5.90 4 10 0 6.70 6.90 6 -10 0 23.70 14.90 6 10 0 13.10 9.30 -6 10 0 29.50 11.30 8 -10 0 37.70 15.20 8 10 0 64.39 15.20 -8 10 0 78.79 15.90 12 -10 0 61.29 21.70 12 10 0 102.39 20.80 1 -11 0 29.20 11.20 1 -11 0 33.50 12.90 -1 -11 0 26.00 9.00 -1 -11 0 24.30 7.90 -1 -11 0 8.10 11.00 -1 11 0 26.50 9.80 1 11 0 27.30 10.40 3 -11 0 5.50 9.70 3 -11 0 -4.50 10.70 3 11 0 8.40 8.00 5 -11 0 19.90 16.10 5 -11 0 38.80 17.20 -5 11 0 28.80 9.80 5 11 0 34.80 12.10 7 -11 0 59.19 20.40 -7 11 0 44.70 14.20 7 11 0 43.10 13.90 9 -11 0 48.50 34.80 9 11 0 89.99 19.10 0 -12 0 19.30 8.90 0 -12 0 19.50 10.30 0 12 0 23.30 9.80 2 -12 0 6.90 10.40 2 -12 0 9.60 16.40 -2 12 0 9.70 8.30 2 12 0 -6.60 8.30 4 -12 0 14.30 12.70 4 -12 0 16.50 26.80 -4 12 0 32.90 11.30 4 12 0 3.50 10.10 6 -12 0 15.60 19.50 -6 12 0 23.30 11.50 6 12 0 40.70 13.70 1 13 0 113.79 19.30 -1 13 0 92.29 18.10 18 0 -1 -18.30 16.40 18 0 -1 8.60 13.30 16 0 -1 -14.20 14.30 16 0 -1 18.20 11.40 14 0 -1 -7.90 5.90 14 0 -1 0.80 7.30 12 0 -1 8.10 6.70 12 0 -1 -5.80 5.00 12 0 -1 -0.40 6.00 -12 0 1 -6.70 7.30 10 0 -1 6.60 5.30 10 0 -1 -1.40 3.50 -10 0 1 1.20 4.80 8 0 -1 0.70 2.60 8 0 -1 0.50 2.90 -8 0 1 2.20 4.40 6 0 -1 3.50 3.90 -6 0 1 1.80 2.90 6 0 -1 -3.70 2.60 4 0 -1 -0.70 1.20 -4 0 1 1.30 1.50 4 0 -1 -2.60 1.30 2 0 -1 0.30 0.90 -2 0 -1 -0.20 1.60 -2 0 -1 -0.60 0.70 2 0 1 0.70 1.10 2 0 1 0.00 1.10 2 0 1 -0.90 1.20 4 0 1 -1.00 1.30 4 0 1 4.90 3.00 4 0 1 -2.70 1.40 -4 0 -1 -0.20 1.60 -4 0 -1 -0.30 2.10 6 0 1 -0.20 2.20 -6 0 -1 5.10 3.50 -6 0 -1 3.50 2.80 6 0 1 -0.50 3.10 6 0 1 -2.80 2.30 -8 0 -1 -3.80 3.60 -8 0 -1 3.30 4.10 8 0 1 -5.00 2.50 8 0 1 -0.70 3.10 8 0 1 9.10 5.40 10 0 1 3.80 6.60 10 0 1 -4.80 4.50 -10 0 -1 8.30 6.00 12 0 1 -3.80 6.60 12 0 1 1.20 4.80 12 0 1 -6.40 6.30 14 0 1 3.80 8.70 14 0 1 -15.40 9.60 14 0 1 1.40 11.20 16 0 1 -1.10 8.90 16 0 1 9.80 17.30 18 0 1 -5.30 14.50 18 0 1 -7.10 20.80 17 -1 -1 17.00 22.50 17 -1 -1 64.69 21.20 17 1 -1 34.20 16.20 17 1 -1 35.20 16.20 15 -1 -1 362.46 34.50 15 -1 -1 263.17 32.20 15 -1 -1 293.77 44.30 -15 1 1 272.67 34.30 15 1 -1 231.28 32.70 15 1 -1 269.77 32.40 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12.90 1 -1 -21 33.00 13.90 1 -1 -21 48.60 10.50 1 1 -21 24.30 14.10 1 1 -21 35.40 12.40 -1 1 21 56.79 18.90 -1 -1 -21 -8.00 14.80 -1 -1 -21 12.30 7.60 1 -1 21 10.40 12.60 -1 1 -21 17.60 16.20 -1 1 -21 -2.30 9.60 1 1 21 14.60 9.90 1 1 21 -4.90 19.20 -3 -1 -21 161.68 36.90 3 -1 21 112.79 22.30 3 1 21 110.19 18.70 3 1 21 131.59 37.70 -3 1 -21 140.89 36.80 -3 1 -21 98.49 17.40 14 -2 -21 53.49 20.50 14 -2 -21 85.99 19.40 14 2 -21 63.89 21.30 14 2 -21 132.79 46.90 12 -2 -21 102.79 25.80 12 2 -21 50.29 18.60 12 2 -21 93.19 22.10 10 -2 -21 19.10 10.20 10 -2 -21 20.90 12.50 10 2 -21 19.60 11.80 10 2 -21 18.70 11.60 8 -2 -21 145.69 20.10 8 -2 -21 237.28 44.70 -8 2 21 186.78 33.20 8 2 -21 87.09 19.50 6 -2 -21 37.80 17.90 6 -2 -21 28.30 9.80 -6 2 21 2.30 13.60 6 2 -21 37.20 13.20 6 2 -21 24.10 14.20 4 -2 -21 69.49 11.10 4 -2 -21 82.29 37.50 4 2 -21 119.59 36.80 -4 2 21 69.69 21.80 2 -2 -21 10.00 11.00 2 -2 -21 -3.50 5.00 2 2 -21 24.80 10.20 2 2 -21 12.00 11.80 0 -2 21 27.60 15.10 0 -2 -21 12.60 15.90 0 -2 -21 32.50 7.80 0 2 -21 22.70 19.00 0 2 -21 31.10 11.30 2 -2 21 22.60 15.10 -2 -2 -21 16.80 15.40 -2 2 -21 21.90 12.40 -2 2 -21 0.70 13.80 2 2 21 -20.90 19.20 15 -3 -21 147.79 27.80 15 -3 -21 139.49 40.00 15 3 -21 120.79 30.50 15 3 -21 204.48 37.30 13 -3 -21 -3.90 30.30 13 -3 -21 -19.60 10.10 13 3 -21 5.90 12.20 13 3 -21 9.50 13.70 11 -3 -21 -3.10 11.80 11 -3 -21 1.00 9.70 11 3 -21 -7.20 8.40 11 3 -21 9.90 12.20 9 -3 -21 22.60 9.80 9 -3 -21 33.10 15.70 9 3 -21 10.20 11.80 9 3 -21 11.90 9.80 -9 3 21 31.80 22.30 7 -3 -21 136.89 17.20 7 -3 -21 88.79 21.50 -7 3 21 103.99 23.80 7 3 -21 129.29 23.40 7 3 -21 155.88 31.10 5 3 -21 83.39 22.10 5 3 -21 115.39 20.30 -5 3 21 73.89 23.60 3 -3 -21 12.90 13.90 3 -3 -21 21.20 5.10 -3 -3 21 11.80 11.80 3 3 -21 5.70 10.20 3 3 -21 12.30 16.70 -3 3 21 16.20 15.70 -1 -3 21 43.30 16.70 1 -3 -21 21.50 16.40 1 3 -21 36.10 13.90 -1 3 21 51.69 19.10 1 3 -21 101.49 32.80 -1 -3 -21 78.89 23.40 -1 3 -21 120.29 34.70 -1 3 -21 104.19 20.40 1 3 21 73.19 25.50 -3 -3 -21 22.60 19.20 -3 3 -21 24.60 19.70 14 -4 -21 21.30 18.80 14 -4 -21 -6.10 13.40 14 4 -21 55.59 20.40 14 4 -21 23.90 12.90 12 -4 -21 -0.60 10.80 12 -4 -21 13.60 15.40 12 4 -21 19.50 15.30 12 4 -21 -18.50 10.90 10 -4 -21 28.80 15.70 10 -4 -21 52.09 14.00 10 4 -21 68.59 20.20 10 4 -21 67.09 20.00 8 -4 -21 142.49 16.50 8 -4 -21 140.19 31.10 8 4 -21 190.88 33.70 -8 4 21 208.78 37.60 8 4 -21 158.58 27.40 6 -4 -21 -5.70 19.30 6 -4 -21 13.80 4.60 6 4 -21 2.70 10.60 6 4 -21 5.00 10.40 -6 4 21 13.10 15.40 4 -4 -21 15.40 11.70 -4 4 21 -10.40 15.80 4 4 -21 14.60 11.00 2 -4 -21 42.10 21.10 -2 4 21 41.80 21.50 2 4 -21 27.00 18.20 0 -4 -21 39.60 20.60 0 4 21 32.70 20.10 0 4 -21 13.30 41.10 -2 -4 -21 32.00 24.80 2 4 21 34.30 22.80 -2 4 -21 30.60 22.60 -2 4 -21 24.90 14.60 13 -5 -21 23.20 12.20 13 -5 -21 20.80 14.80 13 -5 -21 33.80 18.10 13 5 -21 62.19 20.20 13 5 -21 24.40 14.60 11 -5 -21 90.89 24.00 11 -5 -21 126.49 16.80 11 -5 -21 153.68 20.60 11 5 -21 128.79 26.10 9 -5 -21 23.20 7.90 9 -5 -21 8.50 12.10 9 -5 -21 8.40 6.30 9 5 -21 -3.10 14.60 9 5 -21 7.80 11.80 7 -5 -21 0.70 14.40 -7 5 21 -2.70 17.30 7 5 -21 13.10 12.00 7 5 -21 0.10 11.10 5 -5 -21 155.48 30.40 5 5 -21 164.78 28.00 -5 5 21 114.79 28.70 5 5 -21 144.19 32.20 3 -5 -21 137.29 29.60 3 5 -21 56.59 23.40 3 5 -21 80.49 20.20 -3 5 21 80.79 24.60 1 -5 -21 179.88 34.10 1 5 -21 129.49 29.70 -1 5 21 148.79 31.90 1 5 -21 138.89 24.90 -1 -5 -21 149.59 33.00 -1 5 -21 132.49 35.20 1 5 21 82.29 22.80 -1 5 -21 121.39 23.50 10 -6 -21 31.40 18.30 10 6 -21 19.80 21.80 10 6 -21 18.60 14.40 8 -6 -21 27.60 16.00 -8 6 21 49.90 24.60 8 6 -21 45.40 25.90 8 6 -21 74.39 21.20 6 -6 -21 7.60 13.00 -6 6 21 -35.40 19.60 6 6 -21 20.50 15.40 4 6 -21 104.59 36.00 -4 6 21 167.18 30.90 4 6 -21 166.58 28.20 2 -6 -21 27.60 14.90 -2 6 21 62.29 21.30 2 6 -21 47.60 16.50 2 6 -21 48.50 20.40 7 -7 -21 1.60 13.70 -7 7 21 11.70 26.00 7 7 -21 35.00 17.80 7 7 -21 -6.40 18.00 5 -7 -21 36.80 17.40 -5 7 21 87.09 26.70 5 7 -21 86.99 23.00 5 7 -21 50.39 17.20 14 0 -22 70.49 21.50 14 0 -22 134.19 35.50 12 0 -22 326.97 41.50 12 0 -22 367.66 38.00 10 0 -22 24.70 14.20 10 0 -22 22.00 12.30 8 0 -22 104.39 18.90 8 0 -22 50.09 18.00 6 0 -22 20.90 11.50 6 0 -22 17.40 12.30 4 0 -22 56.69 13.60 4 0 -22 49.80 18.10 2 0 -22 83.19 20.30 2 0 -22 120.89 17.50 0 0 -22 297.57 28.20 0 0 -22 226.58 36.70 0 0 22 294.37 31.00 2 0 22 146.69 22.50 -2 0 -22 174.68 21.70 -2 0 -22 183.18 44.40 15 -1 -22 17.30 15.70 15 -1 -22 -2.60 16.20 15 1 -22 15.50 16.80 15 1 -22 3.60 14.40 13 -1 -22 62.69 21.50 13 -1 -22 83.49 20.00 13 1 -22 30.30 16.60 13 1 -22 64.89 20.50 11 -1 -22 95.79 20.10 11 -1 -22 126.79 26.30 11 1 -22 156.58 26.00 11 1 -22 116.49 24.00 9 -1 -22 -12.90 9.70 9 -1 -22 28.70 10.60 9 1 -22 10.50 8.40 9 1 -22 -5.80 10.20 7 -1 -22 109.99 25.30 7 -1 -22 101.29 17.10 7 1 -22 62.09 18.90 5 -1 -22 61.19 13.10 5 -1 -22 26.10 15.60 5 1 -22 68.89 14.90 5 1 -22 81.89 23.90 -5 1 22 61.99 36.60 3 -1 -22 30.70 9.70 3 -1 -22 38.10 16.00 3 1 -22 45.80 20.20 -3 1 22 30.50 19.50 3 1 -22 45.40 13.40 -1 -1 22 147.59 23.10 1 -1 -22 196.58 20.30 1 -1 -22 168.58 32.90 1 1 -22 129.39 25.80 -1 1 22 224.18 40.60 1 1 -22 167.58 25.60 -1 -1 -22 22.80 17.70 1 -1 22 18.20 14.30 -1 -1 -22 25.30 9.30 -1 1 -22 15.00 18.50 -1 1 -22 7.60 11.30 14 -2 -22 179.78 29.00 14 2 -22 207.78 36.00 14 2 -22 207.68 34.30 12 -2 -22 209.58 28.90 12 -2 -22 279.27 37.60 12 2 -22 174.78 31.60 12 2 -22 150.78 28.00 10 -2 -22 115.09 28.90 10 -2 -22 77.89 17.20 10 2 -22 97.89 20.10 10 2 -22 101.69 20.40 8 -2 -22 64.99 14.20 8 -2 -22 36.00 14.20 8 2 -22 53.19 18.20 8 2 -22 60.99 17.40 6 -2 -22 37.40 9.80 6 -2 -22 39.60 16.00 -6 2 22 20.20 16.70 6 2 -22 66.39 16.50 6 2 -22 65.39 20.50 4 -2 -22 25.10 7.60 4 -2 -22 28.30 18.00 -4 2 22 64.29 33.70 4 2 -22 11.30 14.10 4 2 -22 29.40 13.00 2 -2 -22 -16.90 12.50 2 -2 -22 -4.90 6.00 -2 -2 22 -20.30 13.20 2 2 -22 -7.00 12.80 -2 2 22 11.00 18.20 2 2 -22 -9.90 8.60 0 -2 -22 27.70 21.80 0 -2 22 24.10 16.10 0 2 22 64.99 25.90 0 2 -22 64.99 16.10 0 2 -22 152.48 51.69 -2 -2 -22 18.50 18.80 -2 2 -22 48.20 29.10 13 -3 -22 114.69 22.40 13 -3 -22 67.99 23.20 13 3 -22 78.99 21.60 13 3 -22 49.80 19.40 11 -3 -22 261.77 45.50 11 -3 -22 190.28 25.60 11 3 -22 235.28 33.10 9 -3 -22 227.08 24.20 9 -3 -22 279.07 44.60 9 3 -22 198.08 30.90 9 3 -22 224.88 39.10 7 -3 -22 49.60 16.70 7 -3 -22 74.79 12.30 7 3 -22 46.40 17.20 -7 3 22 7.50 35.10 7 3 -22 70.29 19.00 5 -3 -22 56.89 17.00 5 3 -22 108.49 21.90 5 3 -22 70.49 20.60 -5 3 22 89.59 28.00 3 -3 -22 66.39 22.30 3 -3 -22 28.80 5.80 3 3 -22 51.39 20.10 -3 3 22 30.70 21.20 3 3 -22 56.39 15.90 -1 3 22 288.07 42.30 1 3 -22 351.26 33.70 1 3 -22 248.48 38.10 1 3 22 8.50 23.10 -1 3 -22 7.10 17.00 -1 3 -22 21.90 12.90 12 -4 -22 212.08 39.50 12 4 -22 126.39 25.90 12 4 -22 92.29 23.10 10 -4 -22 37.50 17.10 10 -4 -22 16.30 11.50 10 4 -22 30.50 17.30 10 4 -22 29.00 14.50 8 -4 -22 48.60 10.00 8 -4 -22 54.69 21.20 8 4 -22 38.60 16.00 8 4 -22 77.69 25.40 6 -4 -22 24.20 4.80 6 -4 -22 26.40 15.40 6 4 -22 25.30 14.80 -6 4 22 10.70 18.70 6 4 -22 6.10 13.60 4 -4 -22 210.68 41.90 4 4 -22 147.79 33.30 4 4 -22 148.79 26.20 -4 4 22 259.27 43.00 2 -4 -22 64.59 22.00 2 4 -22 0.40 18.00 2 4 -22 28.10 13.70 -2 4 22 39.80 22.20 0 -4 -22 89.09 25.60 0 4 -22 161.38 25.50 0 4 -22 177.98 46.20 11 -5 -22 101.69 16.10 11 -5 -22 77.49 21.80 11 -5 -22 99.19 17.80 11 5 -22 62.19 19.80 11 5 -22 148.69 44.30 9 -5 -22 28.80 16.00 9 -5 -22 32.20 7.80 9 5 -22 19.80 14.50 9 5 -22 11.30 15.40 7 -5 -22 48.50 21.10 -7 5 22 67.79 25.20 7 5 -22 62.49 18.20 5 -5 -22 12.80 10.70 -5 5 22 25.70 19.60 5 5 -22 -4.70 12.60 5 5 -22 -1.30 12.90 3 -5 -22 18.50 15.90 -3 5 22 24.60 34.80 3 5 -22 -3.60 13.70 3 5 -22 -21.30 17.70 1 -5 -22 32.10 21.40 1 5 -22 30.00 23.70 8 -6 -22 41.10 16.70 8 6 -22 70.89 21.30 8 6 -22 36.80 20.50 6 -6 -22 44.50 16.40 -6 6 22 50.89 22.30 6 6 -22 57.19 16.40 4 -6 -22 46.60 22.10 4 6 -22 52.29 31.00 4 6 -22 21.80 17.10 14 0 -23 7.80 12.90 12 0 -23 -17.80 12.90 12 0 -23 7.30 13.40 10 0 -23 7.40 11.40 10 0 -23 -9.80 13.20 8 0 -23 -3.30 9.90 6 0 -23 12.80 33.60 4 0 -23 -2.50 12.10 4 0 -23 3.20 8.50 2 0 -23 7.00 14.60 2 0 -23 2.80 8.40 0 0 -23 3.40 14.70 0 0 -23 -15.10 9.30 13 -1 -23 86.49 21.70 13 -1 -23 67.59 37.70 13 1 -23 135.09 26.40 13 1 -23 147.49 32.50 11 -1 -23 6.50 13.00 11 -1 -23 7.30 12.20 11 1 -23 30.10 14.80 11 1 -23 32.90 17.40 9 -1 -23 15.90 11.40 9 -1 -23 10.50 15.00 9 1 -23 14.00 12.90 9 1 -23 69.89 42.30 7 -1 -23 20.90 20.20 7 -1 -23 -1.60 8.10 7 1 -23 -6.20 9.70 7 1 -23 -12.30 13.70 5 -1 -23 38.60 11.10 5 -1 -23 38.40 16.40 5 1 -23 27.00 12.50 5 1 -23 7.30 12.80 3 -1 -23 7.50 7.40 3 -1 -23 -8.70 14.60 3 1 -23 10.30 11.00 3 1 -23 12.70 16.60 1 -1 -23 57.49 12.40 1 -1 -23 96.89 29.60 1 1 -23 75.19 16.20 1 1 -23 33.70 16.40 12 -2 -23 -20.90 14.00 12 -2 -23 54.49 16.40 12 2 -23 7.70 14.10 12 2 -23 38.50 18.60 10 -2 -23 54.69 13.80 10 -2 -23 38.70 14.20 10 2 -23 18.70 11.10 10 2 -23 68.09 17.70 8 -2 -23 51.69 12.90 8 -2 -23 46.00 20.80 8 2 -23 24.00 16.00 8 2 -23 44.40 13.70 6 -2 -23 -5.60 7.20 6 2 -23 -19.90 10.20 6 2 -23 18.10 15.30 4 -2 -23 67.69 11.20 4 -2 -23 100.49 28.10 4 2 -23 36.70 14.80 4 2 -23 78.19 18.20 2 -2 -23 89.69 12.50 2 -2 -23 95.39 27.60 2 2 -23 77.69 16.80 2 2 -23 38.40 24.20 0 -2 -23 152.38 31.50 0 2 -23 260.27 49.50 11 -3 -23 46.90 21.80 11 3 -23 57.59 20.40 11 3 -23 84.59 24.30 9 -3 -23 20.30 16.60 9 -3 -23 38.80 11.80 9 3 -23 4.80 13.60 9 3 -23 19.90 13.40 7 -3 -23 16.50 15.30 7 -3 -23 43.50 9.80 7 3 -23 35.90 14.80 7 3 -23 49.50 18.40 5 -3 -23 11.50 16.70 5 3 -23 30.40 14.80 5 3 -23 26.20 13.50 3 -3 -23 39.40 19.70 3 -3 -23 27.70 5.60 3 3 -23 10.80 15.80 3 3 -23 12.70 13.30 -3 3 23 45.60 28.50 1 -3 -23 87.89 22.70 1 3 -23 98.39 20.10 1 3 -23 103.69 32.60 -1 3 23 87.29 32.30 10 -4 -23 122.39 18.40 10 -4 -23 92.69 27.50 10 4 -23 100.29 24.30 10 4 -23 156.08 29.10 8 -4 -23 32.40 9.10 8 4 -23 29.80 16.80 8 4 -23 57.59 18.90 6 -4 -23 12.50 11.50 6 4 -23 0.30 24.60 6 4 -23 35.50 15.40 4 -4 -23 149.49 32.00 4 4 -23 109.29 23.40 4 4 -23 125.19 53.69 2 -4 -23 -2.50 16.70 2 4 -23 31.10 22.10 9 5 -23 28.20 16.60 7 5 -23 155.78 37.70 7 5 -23 125.69 25.40 5 -5 -23 78.09 27.80 5 5 -23 115.49 37.40 5 5 -23 78.69 21.40 12 0 -24 128.89 24.90 12 0 -24 146.89 35.40 10 0 -24 68.99 24.10 10 0 -24 81.19 20.40 8 0 -24 47.90 16.60 8 0 -24 109.79 20.40 6 0 -24 19.30 15.40 6 0 -24 40.20 14.60 4 0 -24 40.10 20.10 4 0 -24 70.19 14.50 2 0 -24 107.69 31.80 2 0 -24 91.29 16.90 11 -1 -24 16.60 14.30 11 -1 -24 4.80 14.00 11 1 -24 25.80 16.10 11 1 -24 35.50 16.90 9 -1 -24 32.60 14.00 9 1 -24 31.30 14.40 9 1 -24 88.29 19.80 7 -1 -24 24.00 19.20 7 -1 -24 0.20 11.10 7 1 -24 24.90 17.20 7 1 -24 -5.90 11.40 5 -1 -24 8.80 13.90 5 -1 -24 25.00 9.60 5 1 -24 34.30 18.20 5 1 -24 4.70 11.80 3 -1 -24 17.50 9.10 3 -1 -24 48.30 23.10 3 1 -24 18.70 11.60 3 1 -24 4.20 16.60 10 -2 -24 90.89 28.40 10 -2 -24 66.49 17.70 10 2 -24 26.00 16.80 10 2 -24 45.20 18.10 8 -2 -24 146.99 20.20 8 2 -24 132.99 25.40 8 2 -24 204.68 54.79 6 -2 -24 26.20 9.70 6 -2 -24 30.40 15.30 6 2 -24 53.39 38.50 6 2 -24 32.10 14.50 4 -2 -24 42.30 20.70 4 -2 -24 52.49 10.70 4 2 -24 46.10 16.20 4 2 -24 37.20 18.00 9 -3 -24 16.50 16.40 9 -3 -24 24.20 11.40 9 3 -24 2.30 14.00 9 3 -24 22.60 16.30 7 -3 -24 25.10 18.90 7 -3 -24 34.30 10.00 7 3 -24 68.99 24.60 7 3 -24 56.69 17.90 5 -3 -24 60.69 13.80 5 -3 -24 71.09 27.50 5 3 -24 35.70 18.00 8 0 -25 -5.40 15.50 6 0 -25 -4.10 17.90 0 0 0 0.00 0.00 _computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)' ; _shelx_hkl_checksum 53693 ####################################################################### # # This file contains crystal structure data downloaded from the # Cambridge Structural Database (CSD) hosted by the Cambridge # Crystallographic Data Centre (CCDC). # # Full information about CCDC data access policies and citation # guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 # # Audit and citation data items may have been added by the CCDC. # Please retain this information to preserve the provenance of # this file and to allow appropriate attribution of the data. # ####################################################################### data_1_CCDC1 _database_code_depnum_ccdc_archive 'CCDC 2293493' loop_ _audit_author_name _audit_author_address JiangYonggang ;yunnandaxue China ; _audit_update_record ; 2023-09-07 deposited with the CCDC. 2024-01-04 downloaded from the CCDC. ; _audit_creation_date 2023-09-05 _audit_creation_method ; FinalCif V88 by Daniel Kratzert, Freiburg 2023, https://github.com/dkratzert/FinalCif ; _diffrn_source_power 0.07 _shelx_SHELXL_version_number 2018/3 _chemical_name_systematic ? _chemical_name_common ? _chemical_formula_sum 'C33 H31 F2 N3 O2' _chemical_formula_moiety 'C32 H27 F2 N3 O, C H4 O' _chemical_formula_weight 539.61 _exptl_crystal_colour_primary colourless _chemical_melting_point ? _olex2_refinement_description ; 1. Fixed Uiso At 1.2 times of: All C(H) groups, All C(H,H) groups At 1.5 times of: All C(H,H,H) groups, All O(H) groups 2.a Ternary CH refined with riding coordinates: C14(H14), C24(H24) 2.b Secondary CH2 refined with riding coordinates: C22(H22A,H22B) 2.c Aromatic/amide H refined with riding coordinates: C1(H1), C2(H2), C3(H3), C4(H4), C5(H5), C9(H9), C10(H10), C11(H11), C12(H12), C13(H13), C16(H16), C18(H18), C20(H20), C27(H27), C28(H28), C29(H29), C30(H30) 2.d Idealised Me refined as rotating group: C31(H31A,H31B,H31C), C32(H32A,H32B,H32C), C33(H33A,H33B,H33C) 2.e Idealised tetrahedral OH refined as rotating group: O2(H2A) ; _olex2_submission_special_instructions 'No special instructions were received' _space_group_crystal_system monoclinic _space_group_IT_number 14 _space_group_name_H-M_alt 'P 1 21/n 1' _space_group_name_Hall '-P 2yn' _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. ; loop_ _space_group_symop_operation_xyz 'x, y, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, -y-1/2, z-1/2' _cell_length_a 10.1447(5) _cell_length_b 26.4984(13) _cell_length_c 10.7233(4) _cell_angle_alpha 90 _cell_angle_beta 106.691(2) _cell_angle_gamma 90 _cell_volume 2761.2(2) _cell_formula_units_Z 4 _cell_measurement_temperature 100.00 _cell_measurement_reflns_used 8306 _cell_measurement_theta_min 2.23 _cell_measurement_theta_max 28.24 _exptl_crystal_description block _exptl_crystal_colour colourless _exptl_crystal_recrystallization_method ? _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_density_diffrn 1.298 _exptl_crystal_F_000 1136 _exptl_crystal_size_max 0.24 _exptl_crystal_size_mid 0.22 _exptl_crystal_size_min 0.18 _exptl_absorpt_coefficient_mu 0.091 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.7115 _exptl_absorpt_correction_T_max 0.7457 _exptl_absorpt_process_details ; SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1310 before and 0.0586 after correction. The Ratio of minimum to maximum transmission is 0.9541. The \l/2 correction factor is Not present. ; _exptl_absorpt_special_details ? _shelx_estimated_absorpt_T_min 0.979 _shelx_estimated_absorpt_T_max 0.984 _exptl_transmission_factor_min ? _exptl_transmission_factor_max ? _exptl_special_details ? _diffrn_ambient_temperature 100.00 _diffrn_ambient_environment N~2~ _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_monochromator 'mirror optics' _olex2_diffrn_ambient_temperature_device 'Oxford Cryostream 800' _diffrn_radiation_probe x-ray _diffrn_source 'microfocus sealed X-ray tube' _diffrn_source_type 'Incoatec I\ms' _diffrn_source_voltage 50.0 _diffrn_source_current 1.4 _diffrn_detector CPAD _diffrn_detector_type 'Bruker PHOTON' _diffrn_detector_area_resol_mean 7.41 _diffrn_measurement_device 'three-circle diffractometer' _diffrn_measurement_device_type 'Bruker D8 VENTURE dual wavelength Mo/Cu' _diffrn_measurement_method '\w and \f scans' _diffrn_measurement_specimen_support 'MiTeGen micromount' _diffrn_reflns_number 33519 _diffrn_reflns_av_unetI/netI 0.0426 _diffrn_reflns_av_R_equivalents 0.0581 _diffrn_reflns_theta_min 2.126 _diffrn_reflns_theta_max 28.357 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_limit_h_min -13 _diffrn_reflns_limit_h_max 12 _diffrn_reflns_limit_k_min -29 _diffrn_reflns_limit_k_max 35 _diffrn_reflns_limit_l_min -14 _diffrn_reflns_limit_l_max 14 _diffrn_standards_number 0 _diffrn_measured_fraction_theta_max 0.997 _diffrn_measured_fraction_theta_full 1.000 _diffrn_reflns_Laue_measured_fraction_max 0.997 _diffrn_reflns_Laue_measured_fraction_full 1.000 _diffrn_reflns_point_group_measured_fraction_max 0.997 _diffrn_reflns_point_group_measured_fraction_full 1.000 _reflns_number_total 6890 _reflns_number_gt 5219 _reflns_threshold_expression 'I > 2\s(I)' _reflns_Friedel_coverage 0.000 _reflns_Friedel_fraction_max . _reflns_Friedel_fraction_full . _reflns_special_details ; Reflections were merged by SHELXL according to the crystal class for the calculation of statistics and refinement. _reflns_Friedel_fraction is defined as the number of unique Friedel pairs measured divided by the number that would be possible theoretically, ignoring centric projections and systematic absences. ; _computing_data_collection ? _computing_cell_refinement 'SAINT V8.40B' _computing_data_reduction 'SAINT V8.40B' _computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)' _computing_structure_refinement 'SHELXL 2018/3 (Sheldrick, 2015)' _computing_molecular_graphics 'Olex2 1.5 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 1.5 (Dolomanov et al., 2009)' _refine_special_details ? _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0370P)^2^+1.4058P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary ? _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment constr _refine_ls_number_reflns 6890 _refine_ls_number_parameters 365 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0721 _refine_ls_R_factor_gt 0.0477 _refine_ls_wR_factor_ref 0.1112 _refine_ls_wR_factor_gt 0.0987 _refine_ls_goodness_of_fit_ref 1.047 _refine_ls_restrained_S_all 1.047 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 _refine_diff_density_max 0.245 _refine_diff_density_min -0.242 _refine_diff_density_rms 0.052 _refine_ls_extinction_method none _refine_ls_extinction_coef . loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables 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' _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _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 F1 F 0.29415(10) 0.18724(4) 0.23438(12) 0.0403(3) Uani 1 1 d . . . . . F2 F 0.74802(9) 0.22382(4) 0.47176(9) 0.0299(2) Uani 1 1 d . . . . . O1 O 0.41856(12) 0.50022(4) 0.61703(11) 0.0244(2) Uani 1 1 d . . . . . N1 N 0.40393(14) 0.33399(5) 0.64952(12) 0.0229(3) Uani 1 1 d . . . . . N2 N 0.49134(13) 0.41862(5) 0.64732(11) 0.0185(3) Uani 1 1 d . . . . . N3 N 0.32333(13) 0.37763(5) 0.21338(11) 0.0173(3) Uani 1 1 d . . . . . C1 C 0.57373(16) 0.34939(6) 0.09433(14) 0.0207(3) Uani 1 1 d . . . . . H1 H 0.526948 0.318088 0.089945 0.025 Uiso 1 1 calc R U . . . C2 C 0.70822(17) 0.35043(7) 0.08608(15) 0.0263(4) Uani 1 1 d . . . . . H2 H 0.752758 0.319911 0.075132 0.032 Uiso 1 1 calc R U . . . C3 C 0.77689(16) 0.39592(7) 0.09386(15) 0.0280(4) Uani 1 1 d . . . . . H3 H 0.868844 0.396582 0.088804 0.034 Uiso 1 1 calc R U . . . C4 C 0.71195(17) 0.44057(7) 0.10900(15) 0.0264(4) Uani 1 1 d . . . . . H4 H 0.759727 0.471733 0.115256 0.032 Uiso 1 1 calc R U . . . C5 C 0.57715(16) 0.43975(6) 0.11501(14) 0.0211(3) Uani 1 1 d . . . . . H5 H 0.532146 0.470478 0.123276 0.025 Uiso 1 1 calc R U . . . C6 C 0.50757(15) 0.39418(6) 0.10899(13) 0.0163(3) Uani 1 1 d . . . . . C7 C 0.36175(15) 0.39285(5) 0.11599(13) 0.0159(3) Uani 1 1 d . . . . . C8 C 0.25145(15) 0.41072(5) -0.00034(13) 0.0162(3) Uani 1 1 d . . . . . C9 C 0.26528(16) 0.40703(6) -0.12582(14) 0.0201(3) Uani 1 1 d . . . . . H9 H 0.348373 0.394424 -0.137996 0.024 Uiso 1 1 calc R U . . . C10 C 0.15828(16) 0.42168(6) -0.23326(15) 0.0229(3) Uani 1 1 d . . . . . H10 H 0.167914 0.418379 -0.318428 0.027 Uiso 1 1 calc R U . . . C11 C 0.03769(16) 0.44107(6) -0.21624(15) 0.0227(3) Uani 1 1 d . . . . . H11 H -0.035115 0.451252 -0.289537 0.027 Uiso 1 1 calc R U . . . C12 C 0.02375(16) 0.44556(6) -0.09158(15) 0.0218(3) Uani 1 1 d . . . . . H12 H -0.058595 0.459006 -0.079636 0.026 Uiso 1 1 calc R U . . . C13 C 0.12982(15) 0.43046(6) 0.01571(14) 0.0201(3) Uani 1 1 d . . . . . H13 H 0.119469 0.433594 0.100653 0.024 Uiso 1 1 calc R U . . . C14 C 0.42641(15) 0.36335(6) 0.33527(13) 0.0165(3) Uani 1 1 d . . . . . H14 H 0.513096 0.382612 0.342665 0.020 Uiso 1 1 calc R U . . . C15 C 0.45814(15) 0.30732(6) 0.34043(13) 0.0165(3) Uani 1 1 d . . . . . C16 C 0.59127(15) 0.29076(6) 0.40415(14) 0.0188(3) Uani 1 1 d . . . . . H16 H 0.662262 0.314281 0.441620 0.023 Uiso 1 1 calc R U . . . C17 C 0.61763(15) 0.23964(6) 0.41161(14) 0.0214(3) Uani 1 1 d . . . . . C18 C 0.52039(16) 0.20344(6) 0.35808(16) 0.0240(3) Uani 1 1 d . . . . . H18 H 0.540730 0.168379 0.365286 0.029 Uiso 1 1 calc R U . . . C19 C 0.39158(16) 0.22157(6) 0.29338(16) 0.0249(3) Uani 1 1 d . . . . . C20 C 0.35674(16) 0.27190(6) 0.28386(15) 0.0209(3) Uani 1 1 d . . . . . H20 H 0.265668 0.282315 0.239761 0.025 Uiso 1 1 calc R U . . . C21 C 0.36617(14) 0.38008(6) 0.44720(13) 0.0155(3) Uani 1 1 d . . . . . C22 C 0.34037(16) 0.43740(6) 0.44434(14) 0.0190(3) Uani 1 1 d . . . . . H22A H 0.374637 0.453733 0.376645 0.023 Uiso 1 1 calc R U . . . H22B H 0.240852 0.444620 0.425862 0.023 Uiso 1 1 calc R U . . . C23 C 0.41824(15) 0.45629(6) 0.57777(14) 0.0186(3) Uani 1 1 d . . . . . C24 C 0.47091(15) 0.36968(5) 0.58369(13) 0.0166(3) Uani 1 1 d . . . . . H24 H 0.559418 0.355776 0.574840 0.020 Uiso 1 1 calc R U . . . C25 C 0.27236(16) 0.32335(6) 0.57104(14) 0.0186(3) Uani 1 1 d . . . . . C26 C 0.24138(15) 0.35016(5) 0.45404(13) 0.0161(3) Uani 1 1 d . . . . . C27 C 0.11138(15) 0.34764(6) 0.36698(14) 0.0192(3) Uani 1 1 d . . . . . H27 H 0.089591 0.366539 0.288416 0.023 Uiso 1 1 calc R U . . . C28 C 0.01243(16) 0.31686(6) 0.39623(16) 0.0232(3) Uani 1 1 d . . . . . H28 H -0.077352 0.314685 0.337185 0.028 Uiso 1 1 calc R U . . . C29 C 0.04499(17) 0.28948(6) 0.51130(16) 0.0250(3) Uani 1 1 d . . . . . H29 H -0.023076 0.268567 0.529855 0.030 Uiso 1 1 calc R U . . . C30 C 0.17487(17) 0.29202(6) 0.59983(15) 0.0237(3) Uani 1 1 d . . . . . H30 H 0.196733 0.272891 0.678034 0.028 Uiso 1 1 calc R U . . . C31 C 0.48183(18) 0.29672(7) 0.73921(16) 0.0302(4) Uani 1 1 d . . . . . H31A H 0.496353 0.266936 0.690600 0.045 Uiso 1 1 calc R U . . . H31B H 0.430892 0.286979 0.800486 0.045 Uiso 1 1 calc R U . . . H31C H 0.571077 0.310967 0.787380 0.045 Uiso 1 1 calc R U . . . C32 C 0.59463(16) 0.42548(6) 0.77169(14) 0.0233(3) Uani 1 1 d . . . . . H32A H 0.568358 0.406228 0.838871 0.035 Uiso 1 1 calc R U . . . H32B H 0.601408 0.461360 0.794792 0.035 Uiso 1 1 calc R U . . . H32C H 0.683860 0.413468 0.765387 0.035 Uiso 1 1 calc R U . . . O2 O 0.73935(13) 0.42762(5) 0.53361(12) 0.0334(3) Uani 1 1 d . . . . . H2A H 0.686698 0.449621 0.489227 0.050 Uiso 1 1 calc R U . . . C33 C 0.8323(2) 0.41209(9) 0.46829(19) 0.0415(5) Uani 1 1 d . . . . . H33A H 0.782176 0.397109 0.384550 0.062 Uiso 1 1 calc R U . . . H33B H 0.895066 0.386985 0.520966 0.062 Uiso 1 1 calc R U . . . H33C H 0.885287 0.441225 0.453277 0.062 Uiso 1 1 calc R U . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 F1 0.0249(5) 0.0259(6) 0.0641(7) -0.0167(5) 0.0031(5) -0.0054(4) F2 0.0196(5) 0.0316(5) 0.0337(5) 0.0008(4) -0.0001(4) 0.0072(4) O1 0.0291(6) 0.0192(6) 0.0248(6) -0.0050(4) 0.0075(5) 0.0004(5) N1 0.0237(7) 0.0240(7) 0.0188(6) 0.0079(5) 0.0024(5) -0.0034(5) N2 0.0183(6) 0.0206(7) 0.0148(6) -0.0029(5) 0.0020(5) 0.0002(5) N3 0.0171(6) 0.0202(6) 0.0141(6) 0.0014(5) 0.0035(5) -0.0003(5) C1 0.0216(8) 0.0220(8) 0.0194(7) 0.0045(6) 0.0072(6) 0.0016(6) C2 0.0234(8) 0.0345(10) 0.0228(8) 0.0075(7) 0.0093(6) 0.0105(7) C3 0.0152(7) 0.0486(11) 0.0199(8) 0.0059(7) 0.0047(6) -0.0002(7) C4 0.0242(8) 0.0361(10) 0.0184(7) -0.0022(7) 0.0053(6) -0.0122(7) C5 0.0232(8) 0.0234(8) 0.0168(7) -0.0026(6) 0.0058(6) -0.0045(6) C6 0.0163(7) 0.0215(7) 0.0107(6) 0.0008(5) 0.0032(5) -0.0009(6) C7 0.0175(7) 0.0146(7) 0.0155(7) -0.0014(5) 0.0045(5) -0.0006(6) C8 0.0170(7) 0.0153(7) 0.0156(7) 0.0009(5) 0.0035(5) -0.0020(6) C9 0.0196(7) 0.0250(8) 0.0164(7) 0.0004(6) 0.0065(6) -0.0002(6) C10 0.0248(8) 0.0275(9) 0.0162(7) 0.0009(6) 0.0055(6) -0.0002(7) C11 0.0223(8) 0.0223(8) 0.0198(7) 0.0019(6) 0.0003(6) 0.0003(6) C12 0.0179(7) 0.0230(8) 0.0239(8) 0.0008(6) 0.0050(6) 0.0029(6) C13 0.0210(8) 0.0230(8) 0.0169(7) 0.0005(6) 0.0065(6) 0.0005(6) C14 0.0144(7) 0.0212(7) 0.0136(6) 0.0020(5) 0.0036(5) -0.0015(6) C15 0.0176(7) 0.0210(7) 0.0120(6) 0.0004(5) 0.0059(5) 0.0000(6) C16 0.0170(7) 0.0236(8) 0.0155(7) -0.0014(6) 0.0042(6) -0.0023(6) C17 0.0170(7) 0.0280(9) 0.0189(7) 0.0015(6) 0.0045(6) 0.0047(6) C18 0.0242(8) 0.0206(8) 0.0289(8) -0.0016(6) 0.0105(7) 0.0031(6) C19 0.0213(8) 0.0235(8) 0.0302(9) -0.0080(7) 0.0080(7) -0.0047(6) C20 0.0169(7) 0.0242(8) 0.0207(7) -0.0031(6) 0.0037(6) 0.0005(6) C21 0.0156(7) 0.0168(7) 0.0136(6) 0.0010(5) 0.0034(5) -0.0013(5) C22 0.0205(7) 0.0172(7) 0.0173(7) 0.0010(5) 0.0025(6) -0.0010(6) C23 0.0176(7) 0.0209(8) 0.0187(7) -0.0018(6) 0.0072(6) -0.0022(6) C24 0.0189(7) 0.0175(7) 0.0133(6) 0.0009(5) 0.0042(5) -0.0005(6) C25 0.0223(7) 0.0172(7) 0.0170(7) -0.0007(6) 0.0071(6) -0.0001(6) C26 0.0186(7) 0.0151(7) 0.0161(7) -0.0016(5) 0.0075(6) 0.0005(6) C27 0.0184(7) 0.0200(8) 0.0199(7) -0.0013(6) 0.0065(6) 0.0010(6) C28 0.0177(7) 0.0233(8) 0.0290(8) -0.0064(6) 0.0074(6) -0.0024(6) C29 0.0259(8) 0.0208(8) 0.0325(9) -0.0029(7) 0.0149(7) -0.0048(7) C30 0.0309(9) 0.0204(8) 0.0231(8) 0.0013(6) 0.0132(7) -0.0027(7) C31 0.0305(9) 0.0315(9) 0.0266(8) 0.0129(7) 0.0048(7) 0.0036(7) C32 0.0229(8) 0.0290(9) 0.0146(7) -0.0037(6) -0.0001(6) 0.0006(7) O2 0.0312(7) 0.0400(8) 0.0292(6) 0.0065(5) 0.0090(5) 0.0085(6) C33 0.0367(11) 0.0536(13) 0.0311(10) -0.0100(9) 0.0046(8) 0.0126(9) 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 F1 C19 1.3584(18) . ? F2 C17 1.3607(17) . ? O1 C23 1.2373(18) . ? N1 C24 1.4594(19) . ? N1 C25 1.387(2) . ? N1 C31 1.445(2) . ? N2 C23 1.3360(19) . ? N2 C24 1.4524(19) . ? N2 C32 1.4515(18) . ? N3 C7 1.2802(18) . ? N3 C14 1.4696(18) . ? C1 H1 0.9500 . ? C1 C2 1.393(2) . ? C1 C6 1.394(2) . ? C2 H2 0.9500 . ? C2 C3 1.383(3) . ? C3 H3 0.9500 . ? C3 C4 1.386(3) . ? C4 H4 0.9500 . ? C4 C5 1.387(2) . ? C5 H5 0.9500 . ? C5 C6 1.391(2) . ? C6 C7 1.503(2) . ? C7 C8 1.494(2) . ? C8 C9 1.396(2) . ? C8 C13 1.396(2) . ? C9 H9 0.9500 . ? C9 C10 1.392(2) . ? C10 H10 0.9500 . ? C10 C11 1.387(2) . ? C11 H11 0.9500 . ? C11 C12 1.389(2) . ? C12 H12 0.9500 . ? C12 C13 1.389(2) . ? C13 H13 0.9500 . ? C14 H14 1.0000 . ? C14 C15 1.517(2) . ? C14 C21 1.5595(19) . ? C15 C16 1.398(2) . ? C15 C20 1.396(2) . ? C16 H16 0.9500 . ? C16 C17 1.378(2) . ? C17 C18 1.378(2) . ? C18 H18 0.9500 . ? C18 C19 1.378(2) . ? C19 C20 1.376(2) . ? C20 H20 0.9500 . ? C21 C22 1.540(2) . ? C21 C24 1.5665(19) . ? C21 C26 1.513(2) . ? C22 H22A 0.9900 . ? C22 H22B 0.9900 . ? C22 C23 1.507(2) . ? C24 H24 1.0000 . ? C25 C26 1.397(2) . ? C25 C30 1.392(2) . ? C26 C27 1.381(2) . ? C27 H27 0.9500 . ? C27 C28 1.397(2) . ? C28 H28 0.9500 . ? C28 C29 1.387(2) . ? C29 H29 0.9500 . ? C29 C30 1.387(2) . ? C30 H30 0.9500 . ? C31 H31A 0.9800 . ? C31 H31B 0.9800 . ? C31 H31C 0.9800 . ? C32 H32A 0.9800 . ? C32 H32B 0.9800 . ? C32 H32C 0.9800 . ? O2 H2A 0.8400 . ? O2 C33 1.389(2) . ? C33 H33A 0.9800 . ? C33 H33B 0.9800 . ? C33 H33C 0.9800 . ? 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 C25 N1 C24 109.81(12) . . ? C25 N1 C31 120.79(13) . . ? C31 N1 C24 121.55(13) . . ? C23 N2 C24 115.06(12) . . ? C23 N2 C32 123.91(13) . . ? C32 N2 C24 120.75(12) . . ? C7 N3 C14 120.07(12) . . ? C2 C1 H1 119.9 . . ? C2 C1 C6 120.15(15) . . ? C6 C1 H1 119.9 . . ? C1 C2 H2 120.0 . . ? C3 C2 C1 119.95(16) . . ? C3 C2 H2 120.0 . . ? C2 C3 H3 119.9 . . ? C2 C3 C4 120.20(15) . . ? C4 C3 H3 119.9 . . ? C3 C4 H4 120.0 . . ? C3 C4 C5 119.99(16) . . ? C5 C4 H4 120.0 . . ? C4 C5 H5 119.8 . . ? C4 C5 C6 120.35(15) . . ? C6 C5 H5 119.8 . . ? C1 C6 C7 119.88(13) . . ? C5 C6 C1 119.34(14) . . ? C5 C6 C7 120.77(14) . . ? N3 C7 C6 125.64(13) . . ? N3 C7 C8 116.78(13) . . ? C8 C7 C6 117.58(12) . . ? C9 C8 C7 121.63(13) . . ? C13 C8 C7 119.52(12) . . ? C13 C8 C9 118.84(13) . . ? C8 C9 H9 119.7 . . ? C10 C9 C8 120.53(14) . . ? C10 C9 H9 119.7 . . ? C9 C10 H10 119.9 . . ? C11 C10 C9 120.14(14) . . ? C11 C10 H10 119.9 . . ? C10 C11 H11 120.1 . . ? C10 C11 C12 119.73(14) . . ? C12 C11 H11 120.1 . . ? C11 C12 H12 119.9 . . ? C11 C12 C13 120.23(14) . . ? C13 C12 H12 119.9 . . ? C8 C13 H13 119.7 . . ? C12 C13 C8 120.51(14) . . ? C12 C13 H13 119.7 . . ? N3 C14 H14 108.9 . . ? N3 C14 C15 111.95(12) . . ? N3 C14 C21 105.99(11) . . ? C15 C14 H14 108.9 . . ? C15 C14 C21 112.09(11) . . ? C21 C14 H14 108.9 . . ? C16 C15 C14 119.36(13) . . ? C20 C15 C14 121.34(13) . . ? C20 C15 C16 119.29(14) . . ? C15 C16 H16 120.6 . . ? C17 C16 C15 118.75(14) . . ? C17 C16 H16 120.6 . . ? F2 C17 C16 118.44(14) . . ? F2 C17 C18 117.72(14) . . ? C18 C17 C16 123.81(14) . . ? C17 C18 H18 122.3 . . ? C17 C18 C19 115.40(15) . . ? C19 C18 H18 122.3 . . ? F1 C19 C18 117.32(15) . . ? F1 C19 C20 118.51(14) . . ? C20 C19 C18 124.16(15) . . ? C15 C20 H20 120.7 . . ? C19 C20 C15 118.55(14) . . ? C19 C20 H20 120.7 . . ? C14 C21 C24 111.01(11) . . ? C22 C21 C14 111.52(11) . . ? C22 C21 C24 104.94(11) . . ? C26 C21 C14 114.00(12) . . ? C26 C21 C22 112.20(12) . . ? C26 C21 C24 102.41(11) . . ? C21 C22 H22A 110.6 . . ? C21 C22 H22B 110.6 . . ? H22A C22 H22B 108.8 . . ? C23 C22 C21 105.60(12) . . ? C23 C22 H22A 110.6 . . ? C23 C22 H22B 110.6 . . ? O1 C23 N2 124.48(14) . . ? O1 C23 C22 125.78(14) . . ? N2 C23 C22 109.71(13) . . ? N1 C24 C21 106.31(12) . . ? N1 C24 H24 111.3 . . ? N2 C24 N1 112.02(12) . . ? N2 C24 C21 104.41(11) . . ? N2 C24 H24 111.3 . . ? C21 C24 H24 111.3 . . ? N1 C25 C26 111.75(13) . . ? N1 C25 C30 127.43(14) . . ? C30 C25 C26 120.78(14) . . ? C25 C26 C21 109.54(12) . . ? C27 C26 C21 129.96(13) . . ? C27 C26 C25 120.48(13) . . ? C26 C27 H27 120.5 . . ? C26 C27 C28 118.99(14) . . ? C28 C27 H27 120.5 . . ? C27 C28 H28 119.9 . . ? C29 C28 C27 120.14(15) . . ? C29 C28 H28 119.9 . . ? C28 C29 H29 119.3 . . ? C30 C29 C28 121.35(15) . . ? C30 C29 H29 119.3 . . ? C25 C30 H30 120.9 . . ? C29 C30 C25 118.22(14) . . ? C29 C30 H30 120.9 . . ? N1 C31 H31A 109.5 . . ? N1 C31 H31B 109.5 . . ? N1 C31 H31C 109.5 . . ? H31A C31 H31B 109.5 . . ? H31A C31 H31C 109.5 . . ? H31B C31 H31C 109.5 . . ? N2 C32 H32A 109.5 . . ? N2 C32 H32B 109.5 . . ? N2 C32 H32C 109.5 . . ? H32A C32 H32B 109.5 . . ? H32A C32 H32C 109.5 . . ? H32B C32 H32C 109.5 . . ? C33 O2 H2A 109.5 . . ? O2 C33 H33A 109.5 . . ? O2 C33 H33B 109.5 . . ? O2 C33 H33C 109.5 . . ? H33A C33 H33B 109.5 . . ? H33A C33 H33C 109.5 . . ? H33B C33 H33C 109.5 . . ? loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA _geom_hbond_site_symmetry_A _geom_hbond_publ_flag O2 H2A O1 0.84 1.87 2.7103(17) 174.9 3_666 yes loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag F1 C19 C20 C15 -177.71(14) . . . . ? F2 C17 C18 C19 -177.25(13) . . . . ? N1 C25 C26 C21 3.49(17) . . . . ? N1 C25 C26 C27 -175.06(13) . . . . ? N1 C25 C30 C29 175.17(15) . . . . ? N3 C7 C8 C9 -151.26(14) . . . . ? N3 C7 C8 C13 27.1(2) . . . . ? N3 C14 C15 C16 146.38(13) . . . . ? N3 C14 C15 C20 -34.22(18) . . . . ? N3 C14 C21 C22 -60.08(15) . . . . ? N3 C14 C21 C24 -176.72(11) . . . . ? N3 C14 C21 C26 68.24(15) . . . . ? C1 C2 C3 C4 -0.4(2) . . . . ? C1 C6 C7 N3 73.7(2) . . . . ? C1 C6 C7 C8 -106.19(16) . . . . ? C2 C1 C6 C5 0.1(2) . . . . ? C2 C1 C6 C7 179.17(13) . . . . ? C2 C3 C4 C5 -0.7(2) . . . . ? C3 C4 C5 C6 1.5(2) . . . . ? C4 C5 C6 C1 -1.2(2) . . . . ? C4 C5 C6 C7 179.74(13) . . . . ? C5 C6 C7 N3 -107.24(18) . . . . ? C5 C6 C7 C8 72.83(17) . . . . ? C6 C1 C2 C3 0.7(2) . . . . ? C6 C7 C8 C9 28.7(2) . . . . ? C6 C7 C8 C13 -152.96(14) . . . . ? C7 N3 C14 C15 -92.84(16) . . . . ? C7 N3 C14 C21 144.67(13) . . . . ? C7 C8 C9 C10 176.86(14) . . . . ? C7 C8 C13 C12 -177.59(14) . . . . ? C8 C9 C10 C11 1.3(2) . . . . ? C9 C8 C13 C12 0.8(2) . . . . ? C9 C10 C11 C12 -0.4(2) . . . . ? C10 C11 C12 C13 -0.3(2) . . . . ? C11 C12 C13 C8 0.1(2) . . . . ? C13 C8 C9 C10 -1.5(2) . . . . ? C14 N3 C7 C6 5.0(2) . . . . ? C14 N3 C7 C8 -175.04(12) . . . . ? C14 C15 C16 C17 178.01(13) . . . . ? C14 C15 C20 C19 -179.14(14) . . . . ? C14 C21 C22 C23 -124.84(12) . . . . ? C14 C21 C24 N1 -118.48(13) . . . . ? C14 C21 C24 N2 122.93(12) . . . . ? C14 C21 C26 C25 115.74(13) . . . . ? C14 C21 C26 C27 -65.9(2) . . . . ? C15 C14 C21 C22 177.52(12) . . . . ? C15 C14 C21 C24 60.88(15) . . . . ? C15 C14 C21 C26 -54.15(16) . . . . ? C15 C16 C17 F2 178.85(12) . . . . ? C15 C16 C17 C18 0.9(2) . . . . ? C16 C15 C20 C19 0.3(2) . . . . ? C16 C17 C18 C19 0.7(2) . . . . ? C17 C18 C19 F1 177.28(14) . . . . ? C17 C18 C19 C20 -1.9(2) . . . . ? C18 C19 C20 C15 1.5(2) . . . . ? C20 C15 C16 C17 -1.4(2) . . . . ? C21 C14 C15 C16 -94.68(15) . . . . ? C21 C14 C15 C20 84.72(16) . . . . ? C21 C22 C23 O1 -176.44(14) . . . . ? C21 C22 C23 N2 5.49(16) . . . . ? C21 C26 C27 C28 -179.82(14) . . . . ? C22 C21 C24 N1 120.90(13) . . . . ? C22 C21 C24 N2 2.31(14) . . . . ? C22 C21 C26 C25 -116.28(13) . . . . ? C22 C21 C26 C27 62.09(19) . . . . ? C23 N2 C24 N1 -113.47(14) . . . . ? C23 N2 C24 C21 1.15(16) . . . . ? C24 N1 C25 C26 -1.00(18) . . . . ? C24 N1 C25 C30 -178.49(15) . . . . ? C24 N2 C23 O1 177.62(14) . . . . ? C24 N2 C23 C22 -4.28(17) . . . . ? C24 C21 C22 C23 -4.56(15) . . . . ? C24 C21 C26 C25 -4.25(15) . . . . ? C24 C21 C26 C27 174.11(14) . . . . ? C25 N1 C24 N2 111.68(14) . . . . ? C25 N1 C24 C21 -1.78(16) . . . . ? C25 C26 C27 C28 -1.6(2) . . . . ? C26 C21 C22 C23 105.88(13) . . . . ? C26 C21 C24 N1 3.57(15) . . . . ? C26 C21 C24 N2 -115.02(12) . . . . ? C26 C25 C30 C29 -2.1(2) . . . . ? C26 C27 C28 C29 0.2(2) . . . . ? C27 C28 C29 C30 0.3(2) . . . . ? C28 C29 C30 C25 0.7(2) . . . . ? C30 C25 C26 C21 -178.83(14) . . . . ? C30 C25 C26 C27 2.6(2) . . . . ? C31 N1 C24 N2 -99.06(17) . . . . ? C31 N1 C24 C21 147.48(14) . . . . ? C31 N1 C25 C26 -150.53(14) . . . . ? C31 N1 C25 C30 32.0(2) . . . . ? C32 N2 C23 O1 -8.4(2) . . . . ? C32 N2 C23 C22 169.69(13) . . . . ? C32 N2 C24 N1 72.35(17) . . . . ? C32 N2 C24 C21 -173.02(12) . . . . ? _shelx_res_file ; TITL 1_a.res in P2(1)/n 1.res created by SHELXL-2018/3 at 14:48:55 on 05-Sep-2023 REM Old TITL 1 in P2(1)/n REM SHELXT solution in P2(1)/n: R1 0.129, Rweak 0.006, Alpha 0.023 REM 0.667 for 143 systematic absences, Orientation as input REM Formula found by SHELXT: C33 N4 O2 F CELL 0.71073 10.1447 26.4984 10.7233 90 106.691 90 ZERR 4 0.0005 0.0013 0.0004 0 0.002 0 LATT 1 SYMM 0.5-X,0.5+Y,0.5-Z SFAC C H F N O UNIT 132 124 8 12 8 EQIV $1 1-X,1-Y,1-Z L.S. 10 PLAN 2 SIZE 0.18 0.22 0.24 TEMP -173.15 CONF HTAB O2 O1_$1 list 4 MORE -1 BOND $H fmap 2 53 acta REM REM REM WGHT 0.037000 1.405800 FVAR 0.43873 F1 3 0.294146 0.187245 0.234382 11.00000 0.02485 0.02589 = 0.06410 -0.01673 0.00311 -0.00542 F2 3 0.748016 0.223816 0.471757 11.00000 0.01962 0.03165 = 0.03366 0.00082 -0.00009 0.00716 O1 5 0.418557 0.500216 0.617033 11.00000 0.02909 0.01923 = 0.02483 -0.00496 0.00754 0.00038 N1 4 0.403929 0.333990 0.649519 11.00000 0.02373 0.02399 = 0.01877 0.00790 0.00236 -0.00342 N2 4 0.491341 0.418625 0.647320 11.00000 0.01831 0.02061 = 0.01485 -0.00289 0.00201 0.00023 N3 4 0.323335 0.377632 0.213377 11.00000 0.01710 0.02020 = 0.01413 0.00137 0.00351 -0.00026 C1 1 0.573731 0.349387 0.094326 11.00000 0.02163 0.02200 = 0.01938 0.00451 0.00719 0.00163 AFIX 43 H1 2 0.526948 0.318088 0.089945 11.00000 -1.20000 AFIX 0 C2 1 0.708219 0.350432 0.086085 11.00000 0.02340 0.03446 = 0.02282 0.00753 0.00935 0.01045 AFIX 43 H2 2 0.752758 0.319911 0.075132 11.00000 -1.20000 AFIX 0 C3 1 0.776888 0.395924 0.093856 11.00000 0.01516 0.04860 = 0.01993 0.00586 0.00470 -0.00021 AFIX 43 H3 2 0.868844 0.396582 0.088804 11.00000 -1.20000 AFIX 0 C4 1 0.711945 0.440574 0.108996 11.00000 0.02416 0.03613 = 0.01839 -0.00217 0.00525 -0.01222 AFIX 43 H4 2 0.759727 0.471733 0.115256 11.00000 -1.20000 AFIX 0 C5 1 0.577153 0.439751 0.115008 11.00000 0.02321 0.02339 = 0.01683 -0.00255 0.00585 -0.00451 AFIX 43 H5 2 0.532146 0.470478 0.123276 11.00000 -1.20000 AFIX 0 C6 1 0.507575 0.394179 0.108994 11.00000 0.01635 0.02149 = 0.01067 0.00083 0.00324 -0.00092 C7 1 0.361753 0.392853 0.115995 11.00000 0.01752 0.01464 = 0.01553 -0.00141 0.00453 -0.00062 C8 1 0.251446 0.410717 -0.000338 11.00000 0.01697 0.01531 = 0.01565 0.00091 0.00351 -0.00203 C9 1 0.265277 0.407030 -0.125817 11.00000 0.01963 0.02497 = 0.01642 0.00041 0.00647 -0.00019 AFIX 43 H9 2 0.348373 0.394424 -0.137996 11.00000 -1.20000 AFIX 0 C10 1 0.158281 0.421679 -0.233262 11.00000 0.02476 0.02745 = 0.01616 0.00090 0.00548 -0.00021 AFIX 43 H10 2 0.167914 0.418379 -0.318428 11.00000 -1.20000 AFIX 0 C11 1 0.037686 0.441074 -0.216242 11.00000 0.02225 0.02225 = 0.01985 0.00195 0.00029 0.00028 AFIX 43 H11 2 -0.035115 0.451252 -0.289537 11.00000 -1.20000 AFIX 0 C12 1 0.023747 0.445563 -0.091576 11.00000 0.01789 0.02299 = 0.02387 0.00083 0.00499 0.00293 AFIX 43 H12 2 -0.058595 0.459006 -0.079636 11.00000 -1.20000 AFIX 0 C13 1 0.129819 0.430458 0.015713 11.00000 0.02103 0.02304 = 0.01689 0.00046 0.00653 0.00053 AFIX 43 H13 2 0.119469 0.433594 0.100653 11.00000 -1.20000 AFIX 0 C14 1 0.426409 0.363354 0.335267 11.00000 0.01439 0.02117 = 0.01357 0.00204 0.00362 -0.00146 AFIX 13 H14 2 0.513096 0.382612 0.342665 11.00000 -1.20000 AFIX 0 C15 1 0.458139 0.307320 0.340429 11.00000 0.01762 0.02102 = 0.01201 0.00042 0.00592 0.00005 C16 1 0.591271 0.290755 0.404152 11.00000 0.01705 0.02356 = 0.01551 -0.00141 0.00422 -0.00234 AFIX 43 H16 2 0.662262 0.314281 0.441620 11.00000 -1.20000 AFIX 0 C17 1 0.617626 0.239644 0.411611 11.00000 0.01698 0.02804 = 0.01892 0.00153 0.00453 0.00468 C18 1 0.520386 0.203438 0.358083 11.00000 0.02424 0.02056 = 0.02895 -0.00164 0.01046 0.00307 AFIX 43 H18 2 0.540730 0.168379 0.365286 11.00000 -1.20000 AFIX 0 C19 1 0.391582 0.221568 0.293377 11.00000 0.02133 0.02351 = 0.03019 -0.00802 0.00795 -0.00468 C20 1 0.356743 0.271899 0.283864 11.00000 0.01687 0.02421 = 0.02065 -0.00311 0.00373 0.00050 AFIX 43 H20 2 0.265668 0.282315 0.239761 11.00000 -1.20000 AFIX 0 C21 1 0.366169 0.380077 0.447201 11.00000 0.01562 0.01682 = 0.01359 0.00103 0.00342 -0.00134 C22 1 0.340367 0.437404 0.444345 11.00000 0.02053 0.01718 = 0.01733 0.00103 0.00248 -0.00098 AFIX 23 H22A 2 0.374637 0.453733 0.376645 11.00000 -1.20000 H22B 2 0.240852 0.444620 0.425862 11.00000 -1.20000 AFIX 0 C23 1 0.418241 0.456295 0.577771 11.00000 0.01760 0.02087 = 0.01868 -0.00184 0.00720 -0.00217 C24 1 0.470905 0.369679 0.583694 11.00000 0.01888 0.01745 = 0.01331 0.00086 0.00417 -0.00050 AFIX 13 H24 2 0.559418 0.355776 0.574840 11.00000 -1.20000 AFIX 0 C25 1 0.272357 0.323346 0.571040 11.00000 0.02230 0.01722 = 0.01705 -0.00069 0.00708 -0.00013 C26 1 0.241381 0.350163 0.454039 11.00000 0.01861 0.01506 = 0.01611 -0.00157 0.00753 0.00052 C27 1 0.111382 0.347638 0.366982 11.00000 0.01835 0.01999 = 0.01987 -0.00125 0.00653 0.00099 AFIX 43 H27 2 0.089591 0.366539 0.288416 11.00000 -1.20000 AFIX 0 C28 1 0.012426 0.316863 0.396233 11.00000 0.01770 0.02335 = 0.02903 -0.00635 0.00744 -0.00242 AFIX 43 H28 2 -0.077352 0.314685 0.337185 11.00000 -1.20000 AFIX 0 C29 1 0.044989 0.289485 0.511304 11.00000 0.02589 0.02076 = 0.03252 -0.00291 0.01491 -0.00480 AFIX 43 H29 2 -0.023076 0.268567 0.529855 11.00000 -1.20000 AFIX 0 C30 1 0.174875 0.292020 0.599834 11.00000 0.03090 0.02039 = 0.02308 0.00133 0.01318 -0.00266 AFIX 43 H30 2 0.196733 0.272891 0.678034 11.00000 -1.20000 AFIX 0 C31 1 0.481831 0.296719 0.739213 11.00000 0.03048 0.03151 = 0.02658 0.01295 0.00476 0.00364 AFIX 137 H31A 2 0.496353 0.266936 0.690600 11.00000 -1.50000 H31B 2 0.430892 0.286979 0.800486 11.00000 -1.50000 H31C 2 0.571077 0.310967 0.787380 11.00000 -1.50000 AFIX 0 C32 1 0.594630 0.425477 0.771693 11.00000 0.02289 0.02903 = 0.01458 -0.00374 -0.00012 0.00063 AFIX 137 H32A 2 0.568358 0.406228 0.838871 11.00000 -1.50000 H32B 2 0.601408 0.461360 0.794792 11.00000 -1.50000 H32C 2 0.683860 0.413468 0.765387 11.00000 -1.50000 AFIX 0 O2 5 0.739353 0.427623 0.533608 11.00000 0.03123 0.04000 = 0.02915 0.00649 0.00896 0.00845 AFIX 147 H2A 2 0.686698 0.449621 0.489227 11.00000 -1.50000 AFIX 0 C33 1 0.832310 0.412093 0.468294 11.00000 0.03670 0.05360 = 0.03107 -0.01002 0.00458 0.01264 AFIX 137 H33A 2 0.782176 0.397109 0.384550 11.00000 -1.50000 H33B 2 0.895066 0.386985 0.520966 11.00000 -1.50000 H33C 2 0.885287 0.441225 0.453277 11.00000 -1.50000 AFIX 0 HKLF 4 REM 1_a.res in P2(1)/n REM wR2 = 0.1112, GooF = S = 1.047, Restrained GooF = 1.047 for all data REM R1 = 0.0477 for 5219 Fo > 4sig(Fo) and 0.0721 for all 6890 data REM 365 parameters refined using 0 restraints END WGHT 0.0368 1.3979 REM Highest difference peak 0.245, deepest hole -0.242, 1-sigma level 0.052 Q1 1 0.2959 0.3632 0.4493 11.00000 0.05 0.24 Q2 1 0.4232 0.3787 0.5146 11.00000 0.05 0.24 ; _shelx_res_checksum 72823 _shelx_hkl_file ; -1 0 0 0.00 0.20 1 0 0 0.10 0.30 1 0 0 0.30 0.30 2 0 0 28.80 2.50 2 0 0 22.10 1.90 -2 0 0 28.90 2.50 -2 0 0 23.90 2.00 3 0 0 -0.50 1.00 -3 0 0 0.60 1.00 -3 0 0 -0.10 0.80 3 0 0 0.80 0.90 4 0 0 645.34 19.40 4 0 0 653.03 20.80 -4 0 0 640.14 21.20 -4 0 0 646.14 19.20 -5 0 0 0.80 1.30 5 0 0 -0.60 1.30 5 0 0 -0.50 1.10 6 0 0 466.45 17.10 6 0 0 455.95 18.40 -6 0 0 409.26 16.10 -6 0 0 463.45 19.60 -7 0 0 2.80 1.90 7 0 0 0.60 1.70 7 0 0 -0.60 1.60 -7 0 0 0.70 2.20 8 0 0 310.67 16.50 -8 0 0 298.27 17.70 8 0 0 340.87 15.70 -8 0 0 290.67 14.20 -9 0 0 -3.70 2.90 9 0 0 4.10 3.40 9 0 0 0.00 2.60 -9 0 0 4.00 2.60 -10 0 0 0.40 2.70 -10 0 0 0.90 3.80 10 0 0 -1.60 3.20 -11 0 0 -3.40 4.20 -11 0 0 2.90 3.30 11 0 0 -6.50 4.00 -12 0 0 59.29 11.70 -12 0 0 65.99 9.50 1 -1 0 2955.40 74.69 -1 -1 0 2921.81 77.29 -1 1 0 2813.32 73.89 1 1 0 2778.82 76.59 2 -1 0 69.59 3.50 2 -1 0 67.99 3.70 -2 -1 0 62.79 3.20 -2 -1 0 68.69 4.10 -2 1 0 63.99 3.40 -2 1 0 66.49 3.80 2 1 0 67.59 4.00 3 -1 0 1.40 1.10 -3 -1 0 1.60 1.30 -3 -1 0 0.90 0.90 3 -1 0 2.20 1.10 -3 1 0 2.20 1.10 3 1 0 2.40 1.10 3 1 0 2.50 1.40 -3 1 0 1.80 1.30 4 -1 0 329.27 11.80 4 -1 0 304.27 12.20 -4 -1 0 302.37 13.10 -4 -1 0 319.57 11.30 4 1 0 306.07 12.70 -4 1 0 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33.20 6.80 -12 1 0 15.00 8.60 -1 -2 0 1702.33 40.50 1 2 0 1699.03 40.40 2 -2 0 2.90 1.00 -2 -2 0 1.50 0.70 -2 -2 0 1.80 1.10 2 2 0 3.50 1.00 -2 2 0 1.60 0.90 2 2 0 1.50 1.10 -2 2 0 1.80 0.80 -3 -2 0 799.92 23.70 3 -2 0 833.52 22.10 3 -2 0 808.12 22.30 -3 -2 0 786.92 21.30 3 2 0 783.02 21.40 -3 2 0 794.32 22.70 3 2 0 761.02 23.10 -3 2 0 786.02 21.80 -4 -2 0 96.29 6.70 4 -2 0 97.99 6.10 4 -2 0 84.89 5.40 -4 -2 0 87.59 5.20 -4 2 0 100.99 5.80 4 2 0 104.79 5.70 4 2 0 91.89 6.40 -4 2 0 95.59 6.30 5 -2 0 6.00 2.00 -5 -2 0 4.70 2.30 5 -2 0 3.50 1.80 5 2 0 5.70 1.90 -5 2 0 6.00 2.70 -5 2 0 2.60 1.60 -6 -2 0 -1.60 1.20 -6 -2 0 -1.00 1.20 6 -2 0 1.30 1.40 6 -2 0 1.00 1.50 6 2 0 -2.30 1.10 -6 2 0 -2.10 1.50 6 2 0 0.30 1.40 -6 2 0 -0.30 1.30 -7 -2 0 18.30 3.70 -7 -2 0 21.30 5.10 7 -2 0 28.70 4.90 7 -2 0 18.60 4.60 7 2 0 12.70 3.30 -7 2 0 17.10 4.40 -7 2 0 25.90 4.50 7 2 0 20.00 5.40 -8 -2 0 43.00 6.10 8 -2 0 38.20 6.30 -8 -2 0 26.80 6.30 -8 2 0 34.60 5.50 8 2 0 38.40 6.90 8 2 0 40.70 6.30 -8 2 0 29.00 6.40 9 -2 0 687.83 27.30 -9 -2 0 648.24 24.30 -9 -2 0 648.24 29.70 -9 2 0 637.04 24.70 9 2 0 669.33 25.60 -9 2 0 647.74 29.20 9 2 0 695.23 28.20 -10 -2 0 8.50 3.60 10 -2 0 -3.00 3.80 -10 -2 0 7.40 5.80 -10 2 0 3.70 4.60 10 2 0 11.90 4.00 10 2 0 6.60 3.90 -11 -2 0 3.70 5.30 11 -2 0 4.00 5.70 -11 -2 0 9.80 3.70 11 2 0 15.40 4.80 -11 2 0 9.10 5.60 11 2 0 11.30 5.10 -11 2 0 2.20 3.30 -12 -2 0 15.30 7.90 -12 -2 0 24.50 6.20 -12 2 0 40.40 9.90 -12 2 0 33.30 6.80 0 -3 0 0.20 0.30 0 3 0 0.50 0.30 -1 -3 0 273.27 7.80 -1 -3 0 293.67 9.10 -1 3 0 283.17 7.90 1 3 0 260.77 8.30 1 3 0 285.07 9.00 2 -3 0 38.50 2.60 -2 -3 0 34.30 2.30 -2 -3 0 39.20 3.40 -2 3 0 32.90 2.60 2 3 0 39.60 2.50 2 3 0 32.80 3.20 3 -3 0 125.29 6.10 -3 -3 0 119.69 5.50 -3 -3 0 115.99 6.80 3 3 0 125.09 5.70 -3 3 0 116.09 5.90 3 3 0 124.49 6.90 -3 3 0 119.69 6.20 -4 -3 0 134.59 6.50 4 -3 0 137.59 7.20 -4 -3 0 142.69 8.50 -4 3 0 128.49 7.40 -4 3 0 129.69 6.90 4 3 0 124.59 6.50 4 3 0 123.59 7.60 -5 -3 0 6.10 2.60 5 -3 0 3.80 1.90 -5 3 0 3.10 1.70 5 3 0 3.00 2.20 -5 3 0 0.40 1.50 5 3 0 0.90 1.20 -6 -3 0 13.50 4.00 -6 -3 0 22.40 3.60 6 -3 0 19.60 3.90 -6 3 0 21.90 3.80 6 3 0 15.50 3.30 -6 3 0 19.10 4.30 6 3 0 22.40 4.50 7 -3 0 29.60 5.20 -7 -3 0 30.20 6.00 -7 -3 0 32.60 4.60 7 3 0 38.30 6.40 -7 3 0 24.00 4.40 7 3 0 35.30 5.30 -7 3 0 26.30 5.40 -8 -3 0 21.00 4.20 -8 -3 0 22.80 5.80 8 -3 0 34.70 6.00 8 3 0 24.90 4.70 8 3 0 29.30 6.10 -8 3 0 21.20 5.50 -8 3 0 24.80 4.60 -9 -3 0 23.70 4.60 -9 -3 0 31.40 7.10 9 -3 0 33.80 6.70 -9 3 0 33.70 5.80 9 3 0 34.50 6.30 -9 3 0 42.40 7.90 9 3 0 34.40 6.80 -10 -3 0 23.60 5.20 -10 -3 0 18.80 7.00 10 3 0 14.00 4.60 -10 3 0 15.40 5.10 10 3 0 24.70 6.20 -11 -3 0 18.90 7.50 -11 -3 0 18.20 4.70 11 3 0 20.90 6.70 11 3 0 19.30 5.70 -11 3 0 22.00 5.90 -11 3 0 17.10 7.00 -12 -3 0 11.40 6.50 -12 -3 0 -2.50 3.40 -12 3 0 -10.20 5.30 -12 3 0 4.30 4.00 0 4 0 2910.81 76.39 -1 -4 0 300.47 9.90 1 -4 0 304.27 8.50 -1 -4 0 290.27 8.60 1 4 0 294.27 9.90 1 4 0 307.67 8.70 -1 4 0 310.07 8.60 -2 -4 0 528.45 14.30 2 -4 0 528.45 14.60 -2 -4 0 522.35 16.50 2 4 0 513.95 16.30 -2 4 0 526.85 14.90 2 4 0 527.95 14.40 -3 -4 0 27.40 3.80 -3 -4 0 26.60 2.50 3 -4 0 28.30 2.80 3 4 0 30.50 4.20 -3 4 0 32.90 3.10 -3 4 0 29.70 2.90 3 4 0 28.10 2.60 -4 -4 0 98.79 7.10 4 -4 0 103.89 6.10 -4 -4 0 105.59 5.60 4 4 0 90.99 6.70 -4 4 0 88.59 5.70 -4 4 0 95.69 6.30 4 4 0 97.59 5.60 -5 -4 0 707.73 25.20 5 -4 0 712.93 22.70 -5 -4 0 709.73 23.70 5 4 0 701.33 24.30 5 4 0 700.33 21.80 -5 4 0 700.13 22.30 -5 4 0 683.03 23.50 6 -4 0 76.59 6.30 -6 -4 0 59.59 6.80 -6 -4 0 70.09 5.60 6 4 0 74.59 7.10 -6 4 0 60.99 5.70 -6 4 0 73.39 6.90 6 4 0 73.49 5.90 7 -4 0 22.10 4.50 -7 -4 0 19.30 5.10 -7 -4 0 21.60 3.80 -7 4 0 14.30 3.70 -7 4 0 20.50 4.70 7 4 0 25.40 4.60 7 4 0 26.20 5.50 -8 -4 0 13.20 4.70 -8 -4 0 13.80 3.40 8 -4 0 9.70 3.90 8 4 0 9.80 4.30 -8 4 0 8.90 3.10 8 4 0 6.10 2.80 -8 4 0 8.80 3.70 -9 -4 0 16.10 4.00 9 -4 0 6.70 3.70 -9 -4 0 11.30 5.20 9 4 0 11.40 4.40 -9 4 0 17.30 5.50 9 4 0 7.20 3.60 -9 4 0 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103.99 8.50 -6 5 0 78.49 6.40 6 5 0 81.09 6.40 -6 5 0 101.09 8.00 7 -5 0 66.79 6.60 -7 -5 0 70.09 5.90 -7 -5 0 64.39 9.00 7 5 0 59.89 6.00 -7 5 0 63.69 7.20 -7 5 0 66.19 6.40 7 5 0 57.39 7.90 8 -5 0 0.10 2.20 -8 -5 0 1.60 1.90 -8 -5 0 0.70 3.30 8 5 0 0.00 2.90 -8 5 0 -2.90 1.80 -8 5 0 1.70 2.20 8 5 0 3.40 2.40 -9 -5 0 71.69 11.10 -9 -5 0 61.79 6.50 9 -5 0 49.60 7.90 9 5 0 61.99 7.90 9 5 0 57.09 9.40 -9 5 0 66.49 7.00 -9 5 0 65.79 9.70 10 -5 0 12.30 4.70 -10 -5 0 17.70 5.60 -10 -5 0 26.20 8.00 10 5 0 23.50 5.30 10 5 0 24.90 6.50 -10 5 0 25.10 5.90 -10 5 0 25.20 6.70 -11 -5 0 1.50 2.90 -11 -5 0 4.20 6.00 11 5 0 9.70 4.60 11 5 0 -4.20 5.00 -11 5 0 7.90 3.40 -11 5 0 6.40 5.30 -12 -5 0 3.50 6.60 -12 -5 0 1.70 4.00 -12 5 0 12.70 7.10 -12 5 0 3.60 4.20 0 6 0 2795.82 78.99 -1 -6 0 45.20 3.50 1 -6 0 40.20 2.50 -1 -6 0 46.10 3.20 1 6 0 41.10 3.50 -1 6 0 42.50 2.60 1 6 0 40.40 2.80 -2 -6 0 778.62 23.20 -2 -6 0 787.32 20.80 2 -6 0 800.82 20.80 2 6 0 777.32 23.20 -2 6 0 775.32 20.90 2 6 0 785.62 20.70 3 -6 0 4.50 1.30 -3 -6 0 2.90 1.10 -3 -6 0 3.60 1.80 3 6 0 4.90 1.70 3 6 0 4.00 1.40 -3 6 0 3.60 1.30 4 -6 0 1.40 1.20 -4 -6 0 0.90 1.00 -4 -6 0 0.30 1.60 4 6 0 -0.50 0.80 4 6 0 -0.50 1.30 -4 6 0 0.50 1.10 -4 6 0 4.50 1.70 5 -6 0 205.68 9.90 -5 -6 0 204.78 9.10 -5 -6 0 187.58 11.50 -5 6 0 188.88 9.90 5 6 0 214.18 11.70 5 6 0 208.88 9.60 -5 6 0 192.18 10.40 -6 -6 0 151.18 8.30 -6 -6 0 172.18 11.70 -6 6 0 144.09 9.70 6 6 0 168.78 9.20 6 6 0 161.08 10.90 -6 6 0 162.38 9.50 7 -6 0 221.18 12.10 -7 -6 0 242.48 11.60 -7 -6 0 238.68 15.20 7 6 0 238.78 14.40 -7 6 0 217.48 12.10 7 6 0 245.78 12.30 -7 6 0 251.57 14.10 -8 -6 0 378.76 21.20 -8 -6 0 401.46 16.70 8 -6 0 385.86 17.90 -8 6 0 387.26 17.80 -8 6 0 407.36 20.20 8 6 0 421.86 20.70 8 6 0 406.26 17.70 -9 -6 0 197.28 11.60 -9 -6 0 193.18 15.70 9 -6 0 192.38 12.80 9 6 0 212.68 12.80 9 6 0 196.38 14.70 -9 6 0 196.78 14.50 -9 6 0 196.48 12.50 10 -6 0 109.59 10.70 -10 -6 0 115.39 14.80 -10 6 0 115.19 10.40 10 6 0 118.59 12.20 -10 6 0 100.29 13.10 10 6 0 104.19 9.90 -11 -6 0 -5.40 2.80 -11 -6 0 -9.30 5.00 11 6 0 9.00 4.30 -11 6 0 2.50 3.50 11 6 0 0.70 4.90 -11 6 0 -9.20 4.10 -12 -6 0 9.60 4.80 -12 -6 0 12.60 8.60 -12 6 0 10.60 5.30 -12 6 0 17.20 7.20 0 7 0 1.30 0.80 1 -7 0 1308.67 31.80 -1 -7 0 1280.07 33.80 1 7 0 1282.67 34.00 1 7 0 1294.47 32.20 -1 7 0 1301.17 31.70 2 -7 0 368.96 11.60 -2 -7 0 379.96 12.00 -2 -7 0 374.96 14.00 2 7 0 382.96 14.10 -2 7 0 360.66 11.70 2 7 0 405.86 11.90 3 -7 0 78.79 4.60 -3 -7 0 78.89 4.60 -3 -7 0 71.19 5.90 -3 7 0 73.49 4.70 3 7 0 68.29 4.30 3 7 0 73.69 5.90 4 -7 0 37.60 3.70 -4 -7 0 33.40 3.20 -4 -7 0 30.50 4.90 4 7 0 36.70 3.50 -4 7 0 38.10 5.40 -4 7 0 33.50 5.00 4 7 0 36.80 5.30 -5 -7 0 1.50 1.30 5 -7 0 4.30 2.00 -5 -7 0 3.60 2.50 5 7 0 2.80 1.80 -5 7 0 9.40 2.90 5 7 0 2.90 2.20 -5 7 0 7.00 2.20 -6 -7 0 -0.70 1.20 -6 -7 0 -0.10 2.10 6 -7 0 -3.10 1.10 -6 7 0 -0.10 1.40 6 7 0 -0.20 1.40 -6 7 0 2.20 1.90 6 7 0 0.10 1.60 7 -7 0 4.60 2.40 -7 -7 0 6.00 2.50 -7 -7 0 3.50 3.60 7 7 0 6.20 3.80 -7 7 0 4.00 2.30 -7 7 0 3.40 2.50 7 7 0 4.40 2.80 -8 -7 0 115.89 8.50 -8 -7 0 122.59 11.60 8 -7 0 129.19 9.70 8 7 0 132.19 11.30 -8 7 0 132.69 11.00 8 7 0 119.39 9.30 -8 7 0 133.09 9.80 -9 -7 0 87.19 12.60 -9 -7 0 87.99 7.70 9 -7 0 84.29 8.60 9 7 0 99.29 8.70 -9 7 0 80.19 8.20 -9 7 0 95.49 10.00 9 7 0 75.69 10.60 -10 -7 0 45.10 9.70 10 -7 0 39.10 7.00 -10 7 0 28.00 7.10 -10 7 0 36.00 6.60 10 7 0 25.20 5.70 10 7 0 26.60 7.10 -11 -7 0 0.40 3.20 -11 -7 0 -7.60 4.90 -11 7 0 -1.90 4.70 -11 7 0 5.80 3.90 11 7 0 11.60 4.20 11 7 0 10.90 6.10 -12 -7 0 3.00 3.80 -12 -7 0 -6.00 5.50 -12 7 0 -0.60 3.90 -12 7 0 4.70 6.80 0 8 0 4045.90 94.69 1 -8 0 319.37 10.00 -1 -8 0 294.37 11.40 1 8 0 310.87 10.50 1 8 0 316.07 11.90 -1 8 0 311.27 9.90 2 -8 0 35.20 2.80 -2 -8 0 35.70 3.90 -2 -8 0 41.40 3.30 2 8 0 27.60 4.00 -2 8 0 31.20 2.80 2 8 0 39.00 3.10 -3 -8 0 424.06 13.50 3 -8 0 412.36 13.40 -3 -8 0 418.76 16.40 -3 8 0 407.26 13.80 3 8 0 393.96 13.20 3 8 0 401.66 16.10 -4 -8 0 830.32 23.20 4 -8 0 790.72 23.40 -4 -8 0 791.92 27.10 -4 8 0 787.42 24.10 4 8 0 771.32 23.00 4 8 0 814.22 27.00 -5 -8 0 -0.20 1.00 5 -8 0 -0.10 1.30 -5 -8 0 -1.60 1.80 -5 8 0 -2.40 1.00 5 8 0 -1.00 1.00 -5 8 0 -1.20 1.20 5 8 0 3.60 2.20 -6 -8 0 8.90 3.80 -6 -8 0 13.90 3.00 6 -8 0 18.90 3.50 6 8 0 14.10 3.30 6 8 0 22.70 5.00 -6 8 0 15.80 3.90 -6 8 0 14.90 3.60 -7 -8 0 150.98 12.20 7 -8 0 156.98 9.80 -7 -8 0 154.68 9.10 -7 8 0 141.29 9.80 -7 8 0 153.38 11.00 7 8 0 157.98 11.90 7 8 0 141.59 9.40 -8 -8 0 5.70 2.60 8 -8 0 6.00 3.20 -8 -8 0 2.80 3.70 8 8 0 2.20 3.60 8 8 0 10.10 3.50 -8 8 0 6.70 3.50 -8 8 0 3.30 2.60 9 -8 0 200.28 12.90 -9 -8 0 218.68 12.20 -9 -8 0 200.28 16.30 9 8 0 201.18 12.70 9 8 0 199.48 14.90 -9 8 0 215.48 15.20 -9 8 0 196.18 12.90 -10 -8 0 -0.30 4.80 -10 -8 0 1.90 3.10 10 -8 0 -0.80 3.80 -10 8 0 4.60 4.00 10 8 0 6.80 4.80 -10 8 0 4.30 2.90 -11 -8 0 43.20 6.80 -11 -8 0 20.30 8.30 11 8 0 22.60 7.70 11 8 0 42.00 7.10 -11 8 0 22.60 7.40 -11 8 0 27.20 6.70 -12 -8 0 10.30 8.00 -12 -8 0 -1.80 3.40 -12 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94.69 12.80 10 11 0 104.99 10.70 -11 -11 0 19.40 4.90 -11 -11 0 9.30 7.70 -11 11 0 14.00 6.10 -11 11 0 13.20 5.30 11 11 0 13.20 7.20 -12 -11 0 14.00 5.20 -12 -11 0 29.80 10.40 -12 11 0 19.00 6.60 -12 11 0 19.60 9.10 0 12 0 18.70 3.40 0 12 0 17.90 2.60 1 -12 0 278.07 10.40 1 12 0 276.47 11.00 1 12 0 275.87 10.90 1 12 0 290.47 14.60 -1 12 0 235.48 11.00 -2 -12 0 587.24 21.10 2 -12 0 602.84 18.20 2 12 0 604.34 18.70 -2 12 0 618.94 18.40 2 12 0 574.84 21.30 3 -12 0 16.60 2.80 -3 -12 0 13.90 3.70 -3 -12 0 13.40 3.00 -3 12 0 17.90 3.10 3 12 0 17.90 4.20 3 12 0 15.10 2.90 -4 -12 0 3.00 1.90 4 -12 0 4.50 1.70 -4 -12 0 3.20 2.20 4 12 0 3.90 2.00 4 12 0 3.30 2.40 -4 12 0 4.70 2.00 5 -12 0 17.00 3.30 -5 -12 0 18.70 3.60 -5 -12 0 22.60 5.20 5 12 0 21.50 5.00 -5 12 0 18.40 3.80 5 12 0 25.10 4.00 -6 -12 0 152.18 12.10 6 -12 0 133.69 8.50 -6 -12 0 133.69 8.50 -6 12 0 138.99 9.60 6 12 0 138.79 8.80 -6 12 0 137.99 9.50 6 12 0 129.39 11.00 7 -12 0 -1.40 2.00 -7 -12 0 4.40 2.60 -7 -12 0 1.90 3.80 7 12 0 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15 4 179.58 13.90 -7 -15 -4 40.90 8.60 7 -15 4 55.09 8.40 -7 -15 -4 41.80 5.80 7 15 4 48.10 6.20 -7 15 -4 43.50 9.10 7 15 4 54.39 9.30 -8 -15 -4 -2.30 2.30 8 -15 4 6.10 5.10 -8 -15 -4 4.70 5.60 -8 15 -4 -2.10 2.80 8 15 4 1.40 3.00 -8 15 -4 -1.10 3.80 -9 -15 -4 7.40 3.50 -9 -15 -4 12.60 7.80 -9 15 -4 11.10 5.60 -9 15 -4 6.20 4.10 9 15 4 2.20 6.30 9 15 4 2.20 3.90 -10 -15 -4 11.40 4.80 -10 -15 -4 20.40 8.80 -10 15 -4 12.40 5.90 10 15 4 19.00 6.10 10 15 4 14.80 8.40 -10 15 -4 31.90 9.10 -12 -16 4 34.70 11.40 -12 -16 4 45.40 8.40 -12 16 4 33.00 8.60 -12 16 4 15.50 6.80 -11 -16 4 9.00 4.90 -11 -16 4 19.60 8.00 -11 16 4 3.00 4.70 -11 16 4 7.30 4.90 -10 -16 4 40.00 7.40 -10 -16 4 40.30 9.60 10 16 -4 23.20 8.60 -10 16 4 33.70 7.20 -10 16 4 42.70 7.50 -9 -16 4 14.70 5.70 -9 -16 4 0.60 2.80 -9 16 4 6.20 3.30 -9 16 4 -0.50 2.50 9 16 -4 -1.70 3.90 9 16 -4 -1.90 3.60 -8 -16 4 8.00 4.00 -8 -16 4 0.50 4.10 8 16 -4 14.90 4.30 8 16 -4 9.70 5.50 -8 16 4 7.80 3.20 -8 16 4 5.70 3.60 7 -16 -4 132.19 7.00 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105.39 8.50 0 18 4 89.29 6.80 0 18 -4 106.29 8.30 0 18 4 90.99 6.00 0 18 4 101.59 7.40 0 18 -4 98.39 7.90 -1 -18 -4 0.20 1.80 1 -18 4 -2.00 2.00 -1 18 -4 4.00 2.90 1 18 4 -2.00 1.40 -1 18 -4 0.70 1.70 1 18 4 0.30 2.20 -2 -18 -4 20.90 4.80 2 -18 4 25.20 5.20 2 18 4 12.90 3.90 -2 18 -4 17.40 4.40 2 18 4 12.30 2.90 3 -18 4 12.20 3.70 -3 18 -4 10.20 3.60 3 18 4 9.70 2.70 3 18 4 13.00 3.90 -4 -18 -4 3.30 3.50 4 -18 4 1.00 2.50 -4 18 -4 4.20 2.40 4 18 4 -3.80 2.50 4 18 4 3.00 1.80 -5 -18 -4 191.58 14.90 5 -18 4 192.68 12.80 5 18 4 189.88 10.10 5 18 4 200.58 14.20 -5 18 -4 163.18 12.70 6 -18 4 0.20 3.20 -6 -18 -4 2.60 4.50 6 18 4 5.20 4.30 6 18 4 5.70 2.70 -6 18 -4 7.80 4.20 -7 -18 -4 0.20 5.40 7 -18 4 8.30 4.10 -7 18 -4 6.00 3.60 -7 18 -4 14.50 5.30 7 18 4 2.20 5.00 7 18 4 8.60 3.30 -8 -18 -4 0.40 6.10 -8 18 -4 8.20 5.70 -8 18 -4 5.70 4.30 8 18 4 12.40 4.20 -9 -18 -4 16.20 5.20 -9 -18 -4 12.70 8.50 9 18 4 3.50 5.00 -9 18 -4 13.50 5.20 -9 18 -4 5.40 6.10 9 18 4 25.00 7.90 -11 -19 4 10.30 7.70 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5 25.50 3.70 -5 -8 5 48.20 5.00 5 -8 -5 56.99 2.70 -5 -8 5 53.99 7.30 -5 8 5 56.79 3.90 -5 8 5 49.90 5.20 5 8 -5 55.89 5.40 5 8 -5 52.89 7.50 5 8 -5 49.20 5.30 -4 -8 5 39.70 4.20 4 8 -5 41.20 4.30 4 8 -5 41.00 6.10 -4 8 5 27.80 4.00 -4 8 5 41.30 2.30 4 8 -5 36.30 4.20 -3 -8 5 91.09 6.20 -3 8 5 91.49 5.90 3 8 -5 102.59 8.00 3 8 -5 88.29 6.30 3 8 -5 94.79 6.10 -2 -8 5 46.30 4.60 -2 -8 5 43.70 5.70 2 8 -5 45.20 4.00 2 8 -5 51.59 5.60 -2 8 5 43.40 3.60 2 8 -5 46.40 4.30 1 -8 -5 308.27 8.80 -1 -8 5 316.47 12.70 1 8 -5 306.57 11.30 -1 8 5 285.47 9.80 -1 8 5 287.97 8.80 1 8 -5 292.27 12.20 0 -8 -5 1.50 1.30 0 -8 5 5.80 2.10 0 8 -5 3.40 1.60 0 8 5 1.80 1.10 0 8 -5 3.30 1.60 1 -8 5 -2.50 1.20 -1 -8 -5 0.20 1.40 1 8 5 1.00 0.70 1 8 5 0.50 1.20 -1 8 -5 1.80 1.50 -1 8 -5 -0.70 0.80 2 -8 5 539.05 19.30 -2 8 -5 543.15 20.00 2 8 5 503.45 18.40 3 -8 5 -0.30 1.50 -3 -8 -5 1.80 2.10 3 8 5 2.10 1.80 3 8 5 0.90 0.70 -4 -8 -5 116.19 5.40 4 -8 5 111.89 8.50 -4 -8 -5 111.09 9.50 4 8 5 114.59 8.70 4 8 5 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421.76 14.70 6 12 -5 440.26 18.30 6 12 -5 438.76 19.00 -5 -12 5 522.05 20.00 -5 12 5 526.05 20.20 5 12 -5 532.75 20.80 5 12 -5 541.25 23.80 -5 12 5 506.55 15.10 5 12 -5 547.15 20.20 -4 -12 5 -0.70 1.80 -4 12 5 -0.30 0.50 -4 12 5 -2.10 1.20 4 12 -5 0.20 1.50 -4 12 5 1.20 0.50 4 12 -5 2.90 2.10 -3 -12 5 146.09 9.30 3 12 -5 156.78 9.40 3 12 -5 172.38 11.70 -3 12 5 176.48 9.00 -2 -12 5 69.89 6.40 2 12 -5 73.09 5.90 2 12 -5 56.19 7.70 -2 12 5 82.99 2.80 -2 12 5 73.89 2.50 2 12 -5 68.29 6.10 -1 -12 5 113.09 7.90 -1 12 5 109.19 5.00 1 12 -5 98.89 7.20 1 12 -5 98.79 6.80 0 -12 5 5.90 2.30 0 -12 -5 3.90 1.70 0 12 5 1.50 1.40 0 12 -5 1.70 1.80 0 12 -5 4.10 2.20 -1 -12 -5 0.00 1.80 1 -12 5 3.10 2.10 -1 12 -5 1.90 2.30 1 12 5 0.60 1.00 1 12 5 2.60 1.80 -1 12 -5 1.40 2.10 -2 -12 -5 146.79 9.60 2 -12 5 152.28 9.60 2 12 5 148.39 9.10 -2 12 -5 137.89 9.40 2 12 5 153.58 6.20 3 -12 5 4.10 2.40 3 12 5 5.10 2.80 3 12 5 3.30 1.30 -3 12 -5 2.50 2.40 4 -12 5 5.30 2.70 -4 -12 -5 4.70 3.30 -4 12 -5 6.80 3.50 4 12 5 6.10 1.80 4 12 5 6.50 3.40 -5 -12 -5 115.09 11.30 5 -12 5 130.09 10.00 5 12 5 135.79 11.00 5 12 5 115.49 6.60 -5 12 -5 104.49 10.00 -6 -12 -5 1.20 1.80 6 -12 5 -5.70 2.50 -6 -12 -5 -1.80 3.40 -6 12 -5 0.30 3.00 -6 12 -5 -2.40 2.20 6 12 5 5.10 4.10 6 12 5 -2.00 1.70 -7 -12 -5 24.10 7.70 7 -12 5 23.90 5.50 -7 -12 -5 30.20 4.60 -7 12 -5 23.20 4.80 7 12 5 27.40 4.40 7 12 5 28.40 7.10 -7 12 -5 26.10 7.00 -8 -12 -5 26.90 4.70 8 -12 5 35.80 7.10 -8 -12 -5 22.60 8.70 8 12 5 19.30 4.30 -8 12 -5 18.80 6.90 -9 -12 -5 4.10 2.80 -9 -12 -5 2.00 6.70 -9 12 -5 -1.10 5.30 -9 12 -5 1.20 3.50 9 12 5 10.60 3.50 9 12 5 9.90 7.60 -12 -13 5 34.20 10.30 -12 13 5 29.20 8.70 -12 13 5 21.90 7.30 -11 -13 5 14.00 5.20 -11 -13 5 25.60 8.10 -11 13 5 49.99 8.60 -11 13 5 30.20 6.70 -10 -13 5 -1.60 5.00 -10 -13 5 1.50 3.10 10 13 -5 11.20 6.10 -10 13 5 4.20 2.90 -10 13 5 3.10 3.80 -9 -13 5 42.70 7.00 9 -13 -5 47.40 5.00 -9 13 5 37.20 6.10 -9 13 5 44.20 7.60 8 -13 -5 44.50 4.30 -8 -13 5 63.79 10.10 -8 13 5 53.09 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16.50 8.40 6 25 5 36.20 6.10 -6 25 -5 29.60 8.40 -8 26 5 45.10 6.40 -8 26 5 52.49 9.20 8 26 -5 49.30 9.10 7 26 -5 9.90 8.50 -7 26 5 9.70 4.70 -7 26 5 14.80 3.70 -7 26 5 9.10 4.30 7 26 -5 18.00 6.10 -6 26 5 11.90 4.70 -6 26 5 9.70 3.40 6 26 -5 -1.30 7.00 6 26 -5 11.10 5.20 -5 26 5 20.10 3.60 5 26 -5 18.70 8.60 -5 26 5 18.80 4.50 5 26 -5 12.50 5.00 4 26 -5 3.50 5.80 -4 26 5 1.00 3.20 -4 26 5 4.30 2.10 -3 26 5 4.20 2.70 3 26 -5 2.70 5.80 -3 26 5 0.50 1.60 3 26 -5 1.60 3.10 -2 26 5 3.80 2.00 2 26 -5 2.60 5.90 1 26 -5 20.90 7.40 -1 26 5 15.00 3.30 1 26 -5 23.30 6.60 -1 26 5 14.40 4.20 -1 26 5 13.80 4.60 0 26 5 75.49 6.60 0 26 5 77.59 8.70 0 26 -5 84.29 13.20 0 26 -5 70.49 11.00 0 26 5 63.29 8.00 0 26 -5 87.69 9.40 1 -26 5 5.10 4.30 1 26 5 0.00 2.60 1 26 5 2.00 2.30 1 26 5 -1.70 3.40 -1 26 -5 -4.10 2.60 2 -26 5 19.70 6.70 2 26 5 23.30 5.20 2 26 5 13.00 5.20 -2 26 -5 22.90 6.10 2 26 5 33.60 5.70 3 26 5 2.00 3.20 3 26 5 1.60 4.50 -3 26 -5 0.20 3.50 -4 -26 -5 4.30 5.90 -4 26 -5 9.10 4.90 4 26 5 8.10 5.40 4 26 5 1.80 3.10 -5 -26 -5 6.50 7.60 5 26 5 2.80 6.30 5 26 5 -1.30 3.50 -5 26 -5 6.40 5.00 -6 -26 -5 10.20 8.00 6 26 5 -6.40 6.10 -6 26 -5 -3.30 4.90 6 26 5 -4.10 5.00 8 27 -5 -5.30 4.40 -8 27 5 -4.40 3.20 -8 27 5 -2.80 5.60 -7 27 5 -7.40 4.30 -7 27 5 0.70 2.80 7 27 -5 10.70 5.40 7 27 -5 -0.60 8.50 -7 27 5 -3.30 3.60 6 27 -5 2.30 4.00 -6 27 5 5.90 3.70 -6 27 5 6.80 4.60 -6 27 5 4.90 2.70 5 27 -5 0.30 6.00 5 27 -5 -5.40 3.10 -5 27 5 4.00 3.10 -5 27 5 2.60 2.10 4 27 -5 59.49 11.00 -4 27 5 53.29 6.70 -4 27 5 57.69 5.10 4 27 -5 35.70 7.30 3 27 -5 2.90 6.40 -3 27 5 -1.30 2.80 3 27 -5 1.20 3.20 -3 27 5 2.00 1.80 -2 27 5 34.90 4.60 2 27 -5 44.00 7.70 2 27 -5 33.70 9.10 -2 27 5 28.60 8.10 -1 27 5 24.40 5.50 -1 27 5 15.90 4.60 1 27 -5 13.90 4.70 -1 27 5 20.40 3.70 1 27 -5 29.80 8.40 0 27 -5 1.80 6.20 0 27 -5 13.60 4.80 0 27 5 6.60 2.60 0 27 5 2.40 3.70 0 27 5 6.90 3.70 1 -27 5 2.50 4.90 1 27 5 6.90 4.10 -1 27 -5 7.60 4.70 -1 27 -5 6.10 6.70 1 27 5 3.40 2.80 1 27 5 13.80 4.30 2 27 5 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15.00 -8 12 7 235.18 10.60 -7 -12 7 66.99 8.20 -7 12 7 79.39 4.50 7 12 -7 68.69 10.10 7 12 -7 74.89 9.20 -7 12 7 63.09 8.20 7 12 -7 74.49 7.70 -6 -12 7 223.08 12.70 -6 12 7 195.38 11.90 6 12 -7 204.38 15.00 6 12 -7 211.98 12.50 6 12 -7 209.08 12.40 -5 -12 7 29.60 5.40 5 12 -7 30.10 6.80 -5 12 7 17.80 3.90 5 12 -7 28.70 5.20 5 12 -7 22.60 4.40 -4 -12 7 0.20 2.10 -4 12 7 0.70 1.60 4 12 -7 -0.90 1.80 4 12 -7 -0.50 1.80 4 12 -7 -6.00 2.50 -3 -12 7 0.50 2.20 3 12 -7 0.90 2.00 3 12 -7 3.40 2.30 3 12 -7 1.10 2.90 -3 12 7 0.00 1.20 -2 -12 7 318.07 15.50 -2 12 7 336.87 12.50 2 12 -7 331.77 15.20 2 12 -7 340.37 14.00 1 -12 -7 175.08 5.60 -1 -12 7 165.28 10.60 1 12 -7 161.58 10.40 -1 12 7 164.38 7.30 -1 12 7 178.68 6.70 0 -12 -7 7.50 2.40 0 -12 7 9.40 3.10 0 12 -7 1.90 2.50 0 12 7 7.90 1.60 0 12 7 8.10 2.10 0 12 -7 9.80 3.20 1 -12 7 147.39 10.10 -1 -12 -7 126.89 8.60 -1 12 -7 133.79 10.00 1 12 7 145.49 8.30 -1 12 -7 138.69 8.60 1 12 7 133.79 4.40 -2 -12 -7 12.50 4.00 2 -12 7 16.90 4.40 -2 12 -7 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9.10 7 13 -7 41.10 8.40 -7 13 7 51.49 7.30 -7 13 7 45.90 3.20 7 13 -7 54.89 7.70 -6 -13 7 5.00 3.30 -6 13 7 4.80 3.10 6 13 -7 6.50 3.10 6 13 -7 7.60 3.50 6 13 -7 4.10 4.20 -5 -13 7 172.88 11.20 -5 13 7 176.68 10.60 5 13 -7 164.78 10.50 5 13 -7 182.78 13.80 5 13 -7 163.68 10.80 -4 -13 7 75.09 7.50 4 13 -7 65.89 6.40 4 13 -7 69.09 9.90 -4 13 7 70.09 6.30 4 13 -7 71.69 7.00 3 13 -7 103.09 8.20 3 13 -7 103.49 7.80 -3 13 7 110.09 7.20 3 13 -7 100.89 10.20 -2 -13 7 98.49 8.40 2 13 -7 106.39 10.00 -2 13 7 101.39 6.30 2 13 -7 111.19 8.50 2 13 -7 103.79 7.50 -1 -13 7 0.20 1.60 -1 13 7 0.50 0.90 1 13 -7 -4.00 1.50 1 13 -7 1.30 1.80 -1 13 7 0.90 1.20 0 -13 7 184.38 11.50 0 -13 -7 197.48 9.00 0 13 7 183.78 7.40 0 13 7 189.48 8.60 0 13 7 192.28 7.20 0 13 -7 204.98 10.50 0 13 -7 197.08 12.10 -1 -13 -7 31.20 5.00 1 -13 7 30.30 5.70 -1 13 -7 28.90 4.70 1 13 7 30.10 2.10 -1 13 -7 33.10 5.80 1 13 7 27.90 4.20 1 13 7 26.40 2.20 2 -13 7 84.29 8.10 -2 -13 -7 102.29 8.80 -2 13 -7 77.49 8.10 2 13 7 88.19 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2.60 -6 -15 7 -4.10 2.00 6 15 -7 3.30 2.90 6 15 -7 -1.00 3.40 6 15 -7 0.30 2.70 -6 15 7 -1.20 2.20 -5 -15 7 2.10 2.80 5 15 -7 1.40 2.40 5 15 -7 8.50 4.30 -5 15 7 8.00 3.10 -4 -15 7 169.48 11.20 4 15 -7 146.39 12.70 4 15 -7 157.48 10.10 -4 15 7 143.79 9.40 -3 15 7 8.20 2.70 3 15 -7 5.50 2.70 3 15 -7 10.00 4.30 3 15 -7 8.50 4.30 -2 -15 7 75.39 7.60 2 15 -7 82.19 10.70 2 15 -7 71.59 7.20 -2 15 7 64.89 5.50 2 15 -7 64.49 6.30 -1 -15 7 18.20 4.70 1 15 -7 19.00 4.40 -1 15 7 30.40 3.10 1 15 -7 25.50 4.60 -1 15 7 24.90 3.40 0 -15 -7 -3.40 1.50 0 -15 7 0.30 2.80 0 15 7 0.60 1.50 0 15 7 2.00 1.40 0 15 -7 -1.20 1.90 0 15 -7 2.30 2.10 -1 -15 -7 68.49 6.50 1 15 7 63.99 3.90 -1 15 -7 76.69 8.00 -1 15 -7 63.99 7.30 1 15 7 70.29 6.00 -2 -15 -7 113.89 9.40 2 -15 7 112.29 9.70 -2 15 -7 120.89 10.30 2 15 7 118.09 5.00 -2 15 -7 116.29 8.90 2 15 7 122.29 8.70 3 -15 7 61.79 8.60 -3 15 -7 61.59 9.10 -3 15 -7 61.49 7.60 3 15 7 72.49 7.60 3 15 7 61.99 3.50 4 -15 7 3.80 3.70 -4 15 -7 1.20 3.40 4 15 7 0.50 1.10 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11.30 5.00 -7 -3 -9 12.60 9.10 -7 3 -9 18.80 2.60 -7 3 -9 18.30 3.10 7 3 9 16.90 7.10 -7 3 -9 21.90 7.90 -12 -4 9 23.10 7.40 12 -4 -9 29.00 5.90 -12 -4 9 11.70 5.90 -12 4 9 9.50 6.90 12 4 -9 18.30 6.00 -11 -4 9 3.20 3.60 11 -4 -9 -2.80 3.00 -11 -4 9 0.70 4.70 -11 4 9 9.30 4.10 11 4 -9 0.90 4.00 -11 4 9 0.00 3.50 -10 -4 9 1.10 3.00 -10 -4 9 6.00 4.10 10 -4 -9 1.30 2.60 -10 4 9 2.50 3.10 -10 4 9 -1.40 2.90 10 4 -9 2.10 3.50 9 -4 -9 3.90 2.40 9 -4 -9 2.10 4.00 9 -4 -9 -0.70 1.90 -9 -4 9 7.30 3.30 9 4 -9 5.10 3.70 9 4 -9 -2.40 2.50 -9 4 9 6.10 3.10 8 -4 -9 21.50 4.90 -8 -4 9 18.80 4.50 8 -4 -9 15.10 2.70 8 4 -9 14.60 4.10 -8 4 9 15.80 4.10 8 4 -9 27.30 6.10 -7 -4 9 32.10 5.60 7 -4 -9 33.70 3.10 7 -4 -9 41.10 6.20 7 -4 -9 28.40 3.70 -7 4 9 36.80 5.70 7 4 -9 37.80 6.20 7 4 -9 33.80 5.10 6 -4 -9 16.80 4.20 6 -4 -9 16.50 2.20 -6 -4 9 9.90 3.20 6 -4 -9 13.80 2.40 -6 4 9 13.90 3.40 6 4 -9 16.80 4.10 6 4 -9 15.80 4.60 6 4 -9 12.60 3.20 5 -4 -9 250.27 12.60 5 -4 -9 269.87 8.70 -5 -4 9 269.07 12.50 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45.60 7.80 -4 -4 -9 58.49 8.90 -4 4 -9 50.79 3.20 4 4 9 53.79 7.60 -4 4 -9 49.70 3.20 -4 4 -9 44.80 8.50 -5 -4 -9 6.10 5.10 5 -4 9 -0.60 4.40 -5 4 -9 -0.70 4.30 -5 4 -9 3.20 1.50 -5 4 -9 4.80 1.50 5 4 9 1.00 3.80 6 -4 9 8.60 5.80 -6 -4 -9 23.60 7.10 -6 4 -9 23.70 2.80 -6 4 -9 21.70 3.10 6 4 9 22.50 6.50 -6 4 -9 8.70 6.00 -7 -4 -9 8.40 6.50 7 -4 9 -4.30 5.50 7 4 9 5.30 6.20 -7 4 -9 -4.20 6.40 -12 -5 9 43.70 8.70 -12 -5 9 48.30 8.40 12 -5 -9 50.39 6.90 -12 5 9 45.50 8.80 -11 -5 9 44.70 7.90 11 -5 -9 66.69 6.60 -11 -5 9 57.49 9.90 -11 5 9 42.30 7.50 -11 5 9 50.49 7.70 -10 -5 9 14.50 4.60 10 -5 -9 17.20 3.60 -10 5 9 21.00 4.90 10 5 -9 27.20 6.60 -10 5 9 20.60 5.70 -9 -5 9 7.20 3.00 9 -5 -9 3.40 2.20 9 -5 -9 4.40 2.00 9 5 -9 -2.20 2.90 -9 5 9 3.90 2.80 8 -5 -9 1.60 1.60 8 -5 -9 2.60 3.00 8 -5 -9 6.80 1.80 8 5 -9 6.20 5.20 8 5 -9 4.00 3.10 -8 5 9 11.00 3.80 7 -5 -9 7.60 1.70 7 -5 -9 8.90 2.00 -7 -5 9 11.50 3.70 7 -5 -9 13.60 4.00 7 5 -9 9.60 3.10 7 5 -9 10.50 3.70 -7 5 9 6.00 2.80 6 -5 -9 82.89 3.70 -6 -5 9 90.39 7.60 -6 5 9 93.89 7.40 6 5 -9 99.29 7.50 6 5 -9 100.19 8.30 -5 -5 9 88.99 7.00 5 5 -9 93.39 7.00 -5 5 9 83.29 6.40 5 5 -9 86.59 7.50 -4 -5 9 20.80 3.90 4 -5 -9 17.50 2.00 4 -5 -9 22.40 2.00 4 5 -9 22.70 6.00 -4 5 9 19.80 3.20 3 -5 -9 3.80 1.80 -3 -5 9 0.60 2.20 -3 -5 9 7.10 2.70 3 -5 -9 4.40 1.40 3 5 -9 4.70 2.00 -3 5 9 0.60 1.30 3 5 -9 0.20 2.90 -3 5 9 4.00 1.80 2 -5 -9 5.00 1.90 -2 -5 9 5.40 2.90 -2 5 9 3.10 1.20 2 5 -9 9.90 2.90 -2 5 9 4.60 1.70 2 5 -9 10.10 2.40 -1 -5 9 131.59 9.00 1 -5 -9 143.29 8.30 -1 5 9 127.59 7.30 1 5 -9 135.59 9.10 1 5 -9 141.39 7.00 0 -5 -9 1089.79 32.90 0 -5 9 1077.39 34.00 0 5 -9 1084.59 34.70 0 5 9 1061.99 31.20 0 5 -9 1073.89 28.40 1 -5 9 6.50 3.40 -1 -5 -9 13.80 3.90 1 5 9 7.90 3.00 -1 5 -9 13.00 4.00 -1 5 -9 14.70 2.20 2 -5 9 3.60 2.90 -2 -5 -9 -1.90 2.20 2 5 9 -1.00 1.90 -2 5 -9 0.70 1.10 -2 5 -9 -0.30 2.40 -3 -5 -9 11.70 4.50 3 -5 9 13.90 4.30 3 5 9 14.30 5.00 -3 5 -9 9.60 4.50 -3 5 -9 15.60 2.40 -3 5 -9 17.20 2.30 4 -5 9 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10 -9 -9 3.30 1.60 -10 9 9 2.00 2.60 10 9 -9 10.10 4.40 -10 9 9 -1.30 3.00 -9 -9 9 27.70 6.30 9 9 -9 27.30 5.50 -9 9 9 34.10 6.40 -8 -9 9 10.40 3.90 8 9 -9 -4.40 4.70 8 9 -9 16.70 4.40 8 9 -9 3.80 4.10 -8 9 9 20.50 4.60 -7 -9 9 18.30 4.30 7 9 -9 19.40 6.90 -7 9 9 13.30 3.90 7 9 -9 20.30 4.50 7 9 -9 7.90 4.60 -6 -9 9 173.78 11.20 -6 9 9 187.78 10.80 6 9 -9 175.88 11.30 6 9 -9 174.68 11.60 -5 -9 9 3.70 2.20 -5 9 9 3.00 2.00 5 9 -9 4.20 2.70 5 9 -9 0.70 2.40 -4 -9 9 31.80 5.10 4 9 -9 34.70 5.10 -4 9 9 29.70 4.20 4 9 -9 28.90 6.40 4 9 -9 30.30 5.10 -3 -9 9 57.19 7.50 3 9 -9 58.39 5.70 3 9 -9 69.09 9.40 -3 9 9 56.29 4.30 3 9 -9 62.49 6.70 -2 -9 9 26.60 5.20 -2 9 9 18.40 2.20 2 9 -9 20.60 4.50 -2 9 9 21.80 2.40 2 9 -9 12.30 3.00 1 -9 -9 1.40 1.70 -1 -9 9 -0.30 2.40 1 9 -9 -0.70 1.50 -1 9 9 -0.50 1.20 1 9 -9 -0.20 2.40 0 -9 -9 125.49 8.40 0 -9 9 138.99 10.10 0 9 9 146.09 7.80 0 9 -9 131.39 7.50 0 9 -9 127.99 10.30 -1 -9 -9 9.30 4.00 1 -9 9 20.30 5.00 -1 9 -9 19.70 3.30 1 9 9 16.70 3.50 -1 9 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8 12 -9 19.90 5.60 -8 12 9 23.90 5.40 -7 -12 9 11.00 4.20 7 12 -9 8.30 6.20 -7 12 9 7.30 3.30 7 12 -9 1.50 3.60 7 12 -9 3.00 3.60 -6 -12 9 4.00 3.10 -6 12 9 1.10 2.40 6 12 -9 6.30 3.20 6 12 -9 4.40 2.70 6 12 -9 1.50 4.10 -5 -12 9 1.40 2.70 5 12 -9 3.60 2.80 5 12 -9 6.00 2.80 -5 12 9 2.20 2.30 -4 -12 9 1.30 2.60 4 12 -9 9.50 3.20 -4 12 9 5.30 2.40 4 12 -9 7.10 3.00 4 12 -9 10.60 4.40 3 12 -9 220.88 15.50 -3 12 9 225.18 11.10 3 12 -9 208.18 11.40 3 12 -9 213.18 12.90 -2 -12 9 8.70 3.60 2 12 -9 3.90 2.60 -2 12 9 5.10 1.10 2 12 -9 7.60 3.00 -2 12 9 4.20 1.60 1 -12 -9 25.90 2.30 -1 -12 9 29.50 6.00 -1 12 9 24.10 1.60 1 12 -9 32.50 4.70 1 12 -9 26.20 5.30 -1 12 9 31.70 2.90 0 -12 -9 15.30 3.50 0 -12 9 16.10 4.40 0 12 -9 12.90 4.70 0 12 9 13.30 2.80 0 12 -9 16.30 3.50 1 -12 9 8.00 4.00 -1 -12 -9 6.40 3.60 -1 12 -9 8.40 4.20 -1 12 -9 3.30 2.50 1 12 9 5.90 2.70 2 -12 9 202.78 15.70 -2 -12 -9 197.48 13.00 2 12 9 195.58 11.30 -2 12 -9 212.28 14.60 -2 12 -9 203.38 10.60 -3 -12 -9 4.00 3.90 3 -12 9 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5.30 3 -2 -10 56.39 5.90 -3 -2 10 73.19 6.60 3 -2 -10 67.59 5.00 3 2 -10 72.29 6.20 -3 2 10 73.29 5.80 -3 2 10 71.59 4.80 3 2 -10 60.39 6.70 3 2 -10 64.49 5.50 2 -2 -10 1.50 2.20 -2 -2 10 -2.00 1.90 -2 2 10 1.70 1.80 2 2 -10 2.30 1.50 2 2 -10 3.60 2.50 -1 -2 10 -1.60 2.20 1 -2 -10 -0.60 2.20 -1 2 10 1.50 2.00 1 2 -10 1.20 2.40 1 2 -10 0.10 1.10 0 -2 10 2.40 2.70 0 -2 -10 1.70 2.60 0 2 10 -2.50 2.00 -1 -2 -10 144.79 10.80 1 -2 10 147.49 10.50 -1 2 -10 159.48 11.50 1 2 10 147.19 9.90 2 -2 10 13.50 4.50 -2 -2 -10 12.00 5.40 2 2 10 15.50 4.70 -2 2 -10 11.30 4.70 -3 -2 -10 8.00 4.40 3 -2 10 10.30 4.30 -3 2 -10 2.60 4.50 3 2 10 9.30 3.90 4 -2 10 64.09 9.20 -4 -2 -10 73.49 10.80 -4 2 -10 68.99 10.50 4 2 10 55.79 8.60 -5 -2 -10 3.60 6.80 5 -2 10 18.20 6.20 5 2 10 5.90 4.50 -5 2 -10 15.10 7.00 6 -2 10 47.90 9.70 -6 2 -10 77.79 12.30 6 2 10 53.59 9.40 -11 -3 10 8.60 4.30 -11 3 10 9.10 4.60 11 3 -10 11.00 4.90 -10 -3 10 9.80 4.40 10 -3 -10 18.50 5.10 -10 3 10 16.70 4.80 10 3 -10 8.90 4.30 9 -3 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3 -10 40.00 5.60 2 3 -10 36.90 3.90 -2 3 10 33.40 4.40 -1 -3 10 -0.50 1.80 1 -3 -10 -0.60 2.30 1 3 -10 0.50 1.20 -1 3 10 -3.10 1.60 0 -3 -10 2.00 2.40 0 3 -10 2.20 2.70 0 3 10 -1.10 1.90 0 3 -10 1.70 1.00 1 -3 10 20.20 4.70 -1 -3 -10 5.30 3.80 1 3 10 14.50 3.90 -1 3 -10 20.70 5.30 2 -3 10 -0.40 2.70 -2 3 -10 4.20 3.70 2 3 10 6.70 3.10 -3 -3 -10 6.30 4.70 3 -3 10 4.00 3.50 3 3 10 12.50 4.40 -3 3 -10 12.00 5.60 4 -3 10 6.60 4.40 -4 -3 -10 8.30 5.50 4 3 10 -3.90 3.30 -4 3 -10 2.20 4.90 5 -3 10 -0.70 4.70 -5 -3 -10 -3.50 5.70 -5 3 -10 3.20 5.40 5 3 10 9.30 4.90 6 -3 10 0.10 5.30 -6 -3 -10 -0.80 6.20 -6 3 -10 13.20 7.00 6 3 10 5.20 5.60 11 -4 -10 10.30 3.70 -11 -4 10 5.80 4.60 -11 4 10 3.90 4.30 11 4 -10 13.90 5.20 -10 -4 10 10.90 4.30 10 -4 -10 11.40 3.00 -10 4 10 4.60 3.60 10 4 -10 10.20 4.30 9 -4 -10 8.50 4.30 -9 -4 10 -4.70 2.50 9 -4 -10 2.80 2.40 9 -4 -10 3.50 2.10 -9 4 10 -1.10 2.50 9 4 -10 -4.70 3.90 9 4 -10 1.20 3.00 -8 -4 10 5.20 2.50 8 -4 -10 1.40 1.70 8 4 -10 -2.60 2.30 -8 4 10 3.50 2.70 7 -4 -10 132.79 10.20 -7 -4 10 116.29 9.00 7 -4 -10 136.49 6.10 7 -4 -10 142.39 7.50 7 4 -10 121.59 10.60 7 4 -10 128.39 10.40 -7 4 10 132.39 9.40 7 4 -10 135.99 8.90 6 -4 -10 156.58 10.20 6 -4 -10 134.69 5.90 -6 -4 10 147.59 9.50 6 4 -10 141.39 10.20 6 4 -10 136.99 10.90 6 4 -10 141.99 8.90 -6 4 10 140.59 9.00 5 -4 -10 361.16 11.90 -5 -4 10 365.86 15.40 5 -4 -10 352.16 11.50 5 4 -10 401.46 17.30 -5 4 10 344.97 14.20 5 4 -10 358.26 16.10 -4 -4 10 141.29 8.70 4 -4 -10 147.29 7.10 4 -4 -10 145.99 6.60 -4 4 10 134.19 7.40 4 4 -10 124.99 8.60 4 4 -10 142.29 10.40 -3 -4 10 -0.20 1.70 3 -4 -10 2.30 2.00 -3 -4 10 0.70 2.20 3 -4 -10 0.80 1.60 -3 4 10 -1.40 1.00 3 4 -10 -2.30 1.70 3 4 -10 -0.70 1.90 -3 4 10 1.40 1.60 2 -4 -10 116.59 7.30 -2 -4 10 106.99 8.40 2 4 -10 116.69 6.80 -2 4 10 107.09 6.80 1 -4 -10 8.70 3.00 -1 -4 10 7.20 3.70 -1 4 10 6.30 2.30 1 4 -10 5.10 3.20 1 4 -10 10.40 2.20 0 -4 10 24.30 5.00 0 -4 -10 28.40 5.30 0 4 10 25.10 4.40 0 4 -10 27.00 2.70 0 4 -10 29.20 5.70 1 -4 10 6.00 3.50 -1 -4 -10 18.50 4.90 -1 4 -10 16.70 1.90 1 4 10 17.00 4.20 -1 4 -10 15.00 4.90 -2 -4 -10 34.00 6.90 2 -4 10 40.80 6.80 -2 4 -10 46.30 7.70 2 4 10 35.60 5.90 3 -4 10 97.39 9.50 -3 -4 -10 111.19 11.10 3 4 10 101.69 9.10 -3 4 -10 91.79 10.40 -4 -4 -10 66.99 10.40 4 -4 10 77.09 10.10 4 4 10 60.09 8.50 -4 4 -10 75.59 11.50 -5 -4 -10 6.00 5.70 5 -4 10 0.50 4.60 -5 4 -10 -8.60 5.90 5 4 10 3.40 4.10 6 -4 10 14.50 6.90 -6 -4 -10 0.30 6.60 -6 4 -10 7.20 7.10 6 4 10 16.00 6.50 -11 -5 10 4.50 3.80 11 -5 -10 6.00 3.30 -11 5 10 0.60 4.10 -10 -5 10 -5.00 3.00 10 -5 -10 -1.40 2.30 -10 5 10 -4.70 3.00 -9 -5 10 7.20 3.80 9 -5 -10 10.90 2.20 9 -5 -10 4.10 2.20 9 5 -10 3.80 6.00 -9 5 10 13.70 4.20 -8 -5 10 -4.70 2.20 8 -5 -10 2.90 1.30 8 5 -10 -2.20 3.80 -8 5 10 1.00 2.50 -7 -5 10 28.50 5.20 7 5 -10 39.60 6.40 -7 5 10 28.10 5.00 7 5 -10 21.50 5.90 -6 -5 10 11.00 3.60 6 5 -10 4.70 3.80 6 5 -10 9.30 3.00 6 5 -10 12.90 4.60 -6 5 10 10.40 3.20 -5 -5 10 163.28 10.00 5 5 -10 188.48 11.00 5 5 -10 170.68 10.20 -5 5 10 182.48 9.40 -4 -5 10 83.99 6.80 4 -5 -10 72.99 3.90 4 5 -10 61.89 6.20 4 5 -10 72.99 6.70 -4 5 10 74.89 5.30 -3 -5 10 21.60 3.70 3 -5 -10 22.30 3.20 -3 -5 10 24.80 4.90 3 -5 -10 19.90 3.00 -3 5 10 19.50 2.70 -3 5 10 22.10 3.30 3 5 -10 28.10 4.30 -2 -5 10 0.90 2.70 2 -5 -10 3.70 2.10 2 5 -10 2.90 3.00 -2 5 10 1.30 1.80 -2 5 10 3.20 1.10 2 5 -10 2.40 2.10 1 -5 -10 12.10 3.30 -1 -5 10 4.20 2.80 -1 5 10 11.50 2.70 1 5 -10 8.00 2.10 1 5 -10 8.50 3.70 0 -5 -10 5.40 2.90 0 -5 10 7.30 3.10 0 5 -10 6.80 1.80 0 5 -10 1.70 2.50 0 5 10 5.20 2.50 1 -5 10 66.59 7.10 -1 -5 -10 57.49 7.80 -1 5 -10 69.49 9.20 -1 5 -10 53.19 3.50 1 5 10 58.29 6.20 -2 -5 -10 -4.70 2.90 2 -5 10 1.90 3.00 -2 5 -10 0.80 0.90 -2 5 -10 -2.10 0.90 -2 5 -10 -6.60 3.40 2 5 10 0.10 2.30 3 -5 10 0.40 3.30 -3 5 -10 1.80 0.90 -3 5 -10 4.00 3.90 -4 -5 -10 -0.90 4.70 4 -5 10 -0.70 3.80 -4 5 -10 -3.70 4.00 4 5 10 1.30 3.30 5 -5 10 14.50 6.50 -5 -5 -10 16.20 6.30 -5 5 -10 7.60 5.70 5 5 10 4.90 4.60 -6 -5 -10 1.20 7.00 6 -5 10 10.90 7.50 -6 5 -10 2.50 7.40 6 5 10 -4.20 4.70 -11 -6 10 5.40 4.80 11 -6 -10 0.10 2.70 -11 6 10 -2.20 3.40 11 6 -10 -1.00 4.10 -10 -6 10 4.10 3.70 10 -6 -10 2.70 2.00 -10 6 10 3.70 3.50 10 6 -10 -0.90 3.50 -9 -6 10 13.70 4.30 9 -6 -10 7.60 2.60 9 -6 -10 11.30 1.60 9 6 -10 7.00 3.70 -9 6 10 6.50 3.80 -8 -6 10 -5.20 2.40 -8 6 10 -0.60 2.40 8 6 -10 -4.30 2.40 8 6 -10 1.20 3.60 -7 -6 10 12.60 3.70 7 6 -10 11.70 4.70 -7 6 10 9.40 3.40 7 6 -10 11.60 3.50 7 6 -10 12.40 4.00 -6 -6 10 43.50 6.30 6 6 -10 32.00 5.30 -6 6 10 30.10 5.20 6 6 -10 32.10 5.80 -5 -6 10 27.30 4.50 -5 6 10 26.60 4.00 5 6 -10 31.90 5.40 5 6 -10 20.60 4.50 -4 -6 10 6.50 2.70 4 6 -10 7.70 3.30 -4 6 10 5.10 2.10 3 -6 -10 38.00 3.20 -3 -6 10 41.10 6.40 3 6 -10 28.50 6.70 -3 6 10 39.70 3.40 3 6 -10 47.50 5.10 2 -6 -10 28.90 3.80 -2 -6 10 12.70 4.40 2 -6 -10 21.30 3.60 -2 6 10 19.80 1.80 -2 6 10 19.40 3.10 2 6 -10 21.00 3.60 2 6 -10 21.70 4.50 1 -6 -10 3.70 2.20 -1 -6 10 -3.80 2.30 -1 6 10 -0.40 1.40 1 6 -10 -0.20 1.40 1 6 -10 0.60 2.60 0 -6 10 69.59 7.60 0 -6 -10 59.59 7.20 0 6 -10 65.29 4.60 0 6 -10 56.89 7.60 0 6 10 60.59 5.80 1 -6 10 22.20 5.20 -1 -6 -10 13.60 4.00 1 6 10 12.60 3.60 -1 6 -10 16.50 5.00 -1 6 -10 15.40 2.50 2 -6 10 96.39 9.30 -2 6 -10 97.89 10.00 -2 6 -10 92.49 5.00 2 6 10 90.69 7.90 -2 6 -10 94.69 4.80 3 -6 10 55.49 8.40 -3 6 -10 62.59 9.60 3 6 10 45.60 7.10 -3 6 -10 60.59 3.90 -3 6 -10 55.29 3.50 -4 -6 -10 5.80 4.50 4 -6 10 -7.10 3.60 -4 6 -10 3.90 5.00 -4 6 -10 3.60 1.40 -4 6 -10 -0.30 1.20 4 6 10 -0.70 3.40 5 -6 10 9.90 5.60 -5 -6 -10 9.40 6.30 -5 6 -10 13.20 2.00 -5 6 -10 12.60 2.20 5 6 10 10.80 4.90 -5 6 -10 12.80 7.30 -6 -6 -10 54.89 11.50 6 -6 10 58.89 9.70 -6 6 -10 62.09 12.00 6 6 10 45.90 8.80 -6 6 -10 60.89 3.90 11 -7 -10 51.89 4.50 -11 -7 10 39.40 7.50 -11 7 10 58.69 9.40 -10 -7 10 18.80 5.20 10 -7 -10 10.50 2.00 -10 7 10 13.30 5.10 -9 -7 10 20.90 5.30 -9 7 10 18.90 5.00 -8 -7 10 -2.20 2.20 8 7 -10 1.00 4.10 -8 7 10 -5.70 2.40 -7 -7 10 9.50 3.20 7 7 -10 16.50 5.60 -7 7 10 14.70 4.00 -6 -7 10 66.69 6.90 -6 7 10 66.59 6.30 6 7 -10 67.39 8.20 -5 7 10 2.20 1.80 5 7 -10 4.80 2.70 -4 -7 10 26.10 4.80 -4 7 10 16.50 3.00 4 7 -10 22.80 4.50 4 7 -10 28.00 5.00 -3 -7 10 77.29 10.30 -3 7 10 68.69 4.40 3 7 -10 74.59 7.30 3 7 -10 76.79 7.70 -2 -7 10 99.39 9.00 2 -7 -10 121.99 6.50 2 -7 -10 117.89 6.30 2 7 -10 120.29 7.50 -2 7 10 112.29 4.20 2 7 -10 93.89 8.50 -2 7 10 115.09 6.50 1 -7 -10 -1.40 2.10 -1 -7 10 -2.60 2.10 1 7 -10 -2.00 2.20 -1 7 10 -0.20 1.50 1 7 -10 1.20 1.70 0 -7 10 3.50 2.90 0 -7 -10 2.60 2.70 0 7 -10 -1.20 2.60 0 7 -10 0.50 1.60 0 7 10 3.00 2.10 1 -7 10 262.37 15.00 -1 -7 -10 274.47 14.90 -1 7 -10 254.87 10.00 1 7 10 275.77 13.10 -1 7 -10 262.27 15.70 2 -7 10 11.80 4.40 -2 -7 -10 11.20 4.70 -2 7 -10 10.80 2.10 -2 7 -10 9.90 4.40 2 7 10 15.00 3.70 3 -7 10 1.40 3.90 -3 -7 -10 8.10 4.90 -3 7 -10 6.60 1.80 -3 7 -10 5.80 2.00 3 7 10 15.50 4.80 -4 -7 -10 13.40 5.30 4 -7 10 12.60 6.10 4 7 10 2.90 4.40 -4 7 -10 7.80 2.00 -4 7 -10 0.40 4.50 -4 7 -10 5.80 2.20 5 -7 10 96.09 12.30 -5 -7 -10 116.99 14.80 -5 7 -10 110.39 6.00 5 7 10 106.89 11.00 -5 7 -10 102.79 5.80 -5 7 -10 127.89 14.30 6 -7 10 29.10 7.40 -6 -7 -10 24.10 8.20 6 7 10 15.50 7.10 -6 7 -10 30.60 4.30 -6 7 -10 24.90 8.60 -6 7 -10 26.30 3.50 -11 -8 10 25.30 7.20 -11 8 10 21.60 6.40 11 8 -10 24.00 6.50 -10 -8 10 36.00 7.10 10 8 -10 20.80 5.70 -10 8 10 34.30 6.80 -9 -8 10 5.50 3.40 -9 8 10 7.10 3.60 9 8 -10 3.20 4.30 -8 -8 10 68.99 8.80 8 8 -10 64.09 9.60 8 8 -10 84.79 10.20 -7 8 10 8.20 3.40 7 8 -10 18.10 7.00 7 8 -10 9.20 3.90 -6 -8 10 30.20 5.60 -6 8 10 31.20 4.90 6 8 -10 35.90 6.50 6 8 -10 26.70 5.20 -5 -8 10 40.90 5.90 5 8 -10 39.80 6.10 -5 8 10 56.49 5.40 5 8 -10 52.99 6.70 -4 -8 10 -2.80 2.40 4 8 -10 4.30 2.80 4 8 -10 3.40 2.80 -3 -8 10 -0.50 2.40 3 8 -10 8.90 2.60 3 8 -10 3.30 2.80 -3 8 10 2.80 1.40 -2 -8 10 12.40 4.20 2 -8 -10 12.20 2.30 2 8 -10 11.80 3.10 2 8 -10 12.20 4.00 -2 8 10 9.10 1.30 -2 8 10 12.80 2.50 1 -8 -10 118.29 7.60 -1 -8 10 134.29 10.20 1 8 -10 106.99 9.10 -1 8 10 125.39 7.10 1 8 -10 119.79 7.30 0 -8 10 41.50 6.70 0 -8 -10 30.70 5.30 0 8 10 33.70 4.60 0 8 -10 39.50 4.10 0 8 -10 39.70 6.60 1 -8 10 13.10 4.50 -1 -8 -10 16.20 4.60 -1 8 -10 21.40 5.40 1 8 10 6.70 3.00 -2 -8 -10 11.60 4.50 2 -8 10 8.70 4.30 -2 8 -10 8.80 2.40 2 8 10 8.70 3.50 -2 8 -10 12.40 5.00 -3 -8 -10 6.10 3.90 3 -8 10 6.80 4.50 3 8 10 -1.10 3.10 -3 8 -10 -2.70 3.70 -3 8 -10 -1.70 1.60 4 -8 10 -4.50 4.50 -4 8 -10 2.40 2.00 -4 8 -10 9.20 5.10 4 8 10 5.90 3.70 5 -8 10 25.50 6.80 -5 -8 -10 37.60 9.20 5 8 10 26.70 5.80 -5 8 -10 34.20 9.10 -5 8 -10 29.50 4.70 -5 8 -10 19.00 3.50 6 -8 10 11.30 7.50 -6 -8 -10 10.10 8.20 -6 8 -10 -3.60 7.30 -6 8 -10 12.60 2.90 6 8 10 12.40 6.30 -6 8 -10 9.80 3.20 11 9 -10 18.00 6.20 -11 9 10 35.00 7.60 -10 -9 10 -2.40 3.30 -10 9 10 2.60 3.60 10 9 -10 4.80 4.30 -9 -9 10 13.90 4.80 9 9 -10 20.20 5.10 -9 9 10 10.90 4.20 -8 -9 10 15.10 4.80 8 9 -10 27.50 6.10 8 9 -10 26.50 5.80 -8 9 10 13.60 4.70 -7 -9 10 79.09 7.90 7 9 -10 72.59 7.50 -7 9 10 75.39 7.40 -6 -9 10 34.80 6.20 -6 9 10 54.39 5.70 6 9 -10 40.50 8.50 6 9 -10 50.79 7.40 6 9 -10 45.40 6.90 -5 -9 10 -5.40 2.30 -5 9 10 -1.30 1.50 5 9 -10 1.10 2.50 5 9 -10 -0.10 2.70 -4 -9 10 13.70 3.70 4 9 -10 12.00 3.70 -4 9 10 8.90 2.40 4 9 -10 12.30 3.60 -3 -9 10 -2.00 2.10 3 9 -10 1.00 3.80 3 9 -10 2.90 2.30 -3 9 10 -0.10 1.20 3 9 -10 3.20 2.50 -2 -9 10 4.70 3.00 2 9 -10 -0.40 2.80 -2 9 10 0.90 1.40 -2 9 10 1.80 0.80 2 9 -10 4.20 2.20 -1 -9 10 -0.40 2.60 1 -9 -10 -2.80 1.90 1 9 -10 3.30 2.00 -1 9 10 -1.20 1.30 1 9 -10 1.60 2.30 0 -9 -10 1.50 2.60 0 -9 10 8.00 3.80 0 9 -10 5.40 2.30 0 9 10 0.80 2.00 0 9 -10 4.40 3.30 -1 -9 -10 102.29 9.10 1 -9 10 111.39 9.80 1 9 10 104.89 7.50 -1 9 -10 98.29 10.10 -1 9 -10 100.09 6.40 2 -9 10 32.20 6.70 -2 -9 -10 28.30 6.30 2 9 10 28.90 5.00 -2 9 -10 27.90 3.70 3 -9 10 89.79 10.00 3 9 10 95.49 8.90 -3 9 -10 103.49 6.70 -3 9 -10 108.79 11.40 -3 9 -10 89.19 6.10 4 -9 10 3.60 4.90 -4 9 -10 -3.50 5.40 4 9 10 6.70 3.70 -4 9 -10 7.80 2.50 -4 9 -10 6.20 2.50 5 -9 10 16.40 6.50 -5 -9 -10 -3.00 6.90 5 9 10 3.60 4.60 -5 9 -10 9.90 2.80 -5 9 -10 11.10 3.30 -5 9 -10 4.50 6.00 -11 -10 10 3.60 4.60 -11 10 10 4.40 4.60 11 10 -10 -3.00 4.90 -10 -10 10 -4.10 3.80 10 10 -10 3.30 4.10 -10 10 10 8.30 3.80 -9 -10 10 3.80 3.50 9 10 -10 16.90 4.80 -9 10 10 4.40 3.60 -8 -10 10 1.10 3.30 -8 10 10 4.10 3.30 8 10 -10 -2.00 3.00 8 10 -10 1.00 4.10 -7 -10 10 9.50 4.20 7 10 -10 12.60 4.80 7 10 -10 19.40 4.80 -7 10 10 21.60 4.50 -6 -10 10 11.90 4.00 -6 10 10 11.50 3.40 6 10 -10 15.60 6.00 6 10 -10 11.30 3.80 6 10 -10 10.20 4.10 -5 -10 10 16.90 4.40 5 10 -10 26.40 6.40 5 10 -10 19.70 4.80 -5 10 10 17.20 3.60 5 10 -10 17.80 4.50 -4 -10 10 41.60 6.30 -4 10 10 33.40 4.20 4 10 -10 41.60 6.30 4 10 -10 27.50 7.20 4 10 -10 33.80 5.40 -3 -10 10 1.00 2.60 3 10 -10 -1.10 3.70 3 10 -10 3.30 2.50 3 10 -10 5.30 2.90 -3 10 10 3.70 1.50 -2 -10 10 147.59 11.00 -2 10 10 140.29 4.90 2 10 -10 141.79 8.80 2 10 -10 137.89 10.30 -2 10 10 134.69 6.30 -1 -10 10 7.10 3.90 1 10 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6 11 -10 22.80 8.40 -6 11 10 10.20 3.70 -5 -11 10 37.30 5.90 5 11 -10 43.20 6.80 5 11 -10 41.50 6.50 5 11 -10 30.80 7.10 -5 11 10 34.20 4.90 4 11 -10 7.20 3.30 4 11 -10 11.30 3.90 4 11 -10 0.40 4.40 -4 11 10 13.60 3.10 -3 -11 10 122.29 10.40 3 11 -10 121.59 8.70 3 11 -10 122.79 11.50 3 11 -10 114.99 9.30 -3 11 10 111.39 6.00 -2 -11 10 37.00 6.70 2 11 -10 53.39 7.70 2 11 -10 59.89 6.10 -2 11 10 51.39 3.40 -2 11 10 52.89 2.90 -1 -11 10 8.20 4.00 1 -11 -10 8.70 2.20 1 11 -10 5.70 3.50 1 11 -10 8.70 2.70 -1 11 10 2.70 1.80 0 -11 -10 35.20 5.10 0 -11 10 26.80 5.70 0 11 -10 48.40 7.90 0 11 -10 33.30 4.60 0 11 10 38.30 4.20 1 -11 10 -3.90 3.20 -1 -11 -10 0.50 3.50 -1 11 -10 1.70 3.60 1 11 10 3.80 2.50 2 -11 10 0.40 3.90 -2 -11 -10 1.10 4.00 2 11 10 -1.20 2.40 -2 11 -10 -3.20 3.00 -3 -11 -10 19.80 6.40 3 -11 10 9.40 4.90 3 11 10 7.70 3.60 -3 11 -10 13.90 6.00 4 -11 10 3.50 5.20 -4 -11 -10 7.80 5.40 4 11 10 -7.00 3.40 -4 11 -10 -2.90 2.30 -4 11 -10 1.00 2.70 -4 11 -10 5.20 5.10 5 -11 10 -4.90 5.50 -5 11 -10 4.30 3.30 5 11 10 -4.90 4.70 -5 11 -10 11.00 3.50 -5 11 -10 13.10 6.70 -10 -12 10 -4.80 3.70 10 12 -10 -1.60 4.40 -10 12 10 0.80 4.00 -9 -12 10 44.90 7.70 9 12 -10 36.70 7.50 -9 12 10 44.00 7.40 -8 -12 10 28.60 5.90 -8 12 10 26.30 5.10 -7 -12 10 13.00 4.40 -7 12 10 27.20 5.30 7 12 -10 26.10 5.90 7 12 -10 23.80 5.80 -6 -12 10 -2.80 3.30 6 12 -10 0.90 2.90 -6 12 10 4.00 2.60 -5 -12 10 0.10 2.90 5 12 -10 4.60 2.80 5 12 -10 -4.00 4.10 -5 12 10 -2.70 1.80 5 12 -10 2.60 2.90 4 12 -10 53.99 10.20 -4 12 10 48.60 4.90 4 12 -10 56.29 7.60 4 12 -10 54.89 7.10 3 12 -10 5.60 4.90 3 12 -10 7.20 2.80 3 12 -10 1.80 2.70 -2 -12 10 10.10 4.60 -2 12 10 9.90 1.70 -2 12 10 12.90 1.80 2 12 -10 15.30 3.80 2 12 -10 16.70 4.60 -1 -12 10 65.59 8.80 1 -12 -10 79.79 3.50 -1 12 10 82.99 5.20 1 12 -10 80.29 6.90 1 12 -10 85.19 8.70 0 -12 10 69.49 9.30 0 -12 -10 41.30 5.40 0 12 10 54.39 5.70 0 12 -10 52.79 9.60 0 12 -10 63.49 5.90 -1 -12 -10 10.00 3.90 1 -12 10 -3.00 3.50 -1 12 -10 2.80 2.40 -1 12 -10 3.80 3.80 1 12 10 -3.00 2.20 -2 -12 -10 0.80 3.70 2 -12 10 2.50 4.00 -2 12 -10 4.90 2.60 -2 12 -10 8.10 4.40 -3 -12 -10 12.20 5.30 3 -12 10 -6.60 4.60 3 12 10 -0.10 3.50 -3 12 -10 10.90 3.40 -3 12 -10 3.30 4.90 -4 12 -10 62.49 6.70 -4 12 -10 57.09 10.20 4 12 10 55.89 7.90 -4 12 -10 60.49 6.40 5 -12 10 -0.50 5.80 5 12 10 2.20 5.00 -5 12 -10 1.80 3.70 -5 12 -10 -3.00 3.10 -5 12 -10 3.50 5.90 -10 -13 10 -2.40 4.00 10 13 -10 -5.40 4.80 -10 13 10 2.20 3.80 -9 -13 10 35.60 7.10 9 13 -10 32.00 6.60 -9 13 10 26.40 6.00 -8 -13 10 5.60 4.20 8 13 -10 13.90 4.60 -8 13 10 5.80 3.80 -7 -13 10 8.70 4.40 7 13 -10 13.60 4.80 7 13 -10 17.90 5.30 -7 13 10 7.40 3.20 -6 -13 10 41.90 7.20 6 13 -10 38.80 7.00 -6 13 10 39.70 6.00 6 13 -10 37.80 6.90 -5 -13 10 1.80 3.00 -5 13 10 4.60 2.40 5 13 -10 1.60 5.80 5 13 -10 4.00 3.10 5 13 -10 -2.10 2.70 4 13 -10 5.80 3.70 -4 13 10 13.70 3.00 4 13 -10 14.80 4.10 4 13 -10 10.50 6.20 3 13 -10 87.69 11.80 3 13 -10 85.49 7.70 3 13 -10 76.19 8.20 -2 -13 10 107.69 10.10 -2 13 10 111.69 4.10 -2 13 10 113.19 5.00 2 13 -10 123.39 10.10 2 13 -10 108.29 12.10 2 13 -10 112.29 8.40 -1 -13 10 10.90 4.80 -1 13 10 5.10 1.80 1 13 -10 4.40 3.40 1 13 -10 8.00 3.10 0 -13 10 26.00 6.10 0 13 -10 27.90 4.40 0 13 10 28.20 4.10 0 13 -10 22.30 5.80 1 -13 10 8.00 4.40 -1 -13 -10 -1.40 3.30 -1 13 -10 4.80 3.90 -1 13 -10 8.10 2.90 2 -13 10 2.80 4.00 -2 -13 -10 6.90 4.00 2 13 10 3.40 2.70 -2 13 -10 -3.20 2.20 -2 13 -10 -1.50 3.60 3 -13 10 20.70 6.90 -3 -13 -10 19.80 6.80 -3 13 -10 23.30 4.30 -3 13 -10 27.90 7.10 3 13 10 25.10 5.30 -4 -13 -10 -4.20 6.00 4 -13 10 2.40 4.90 4 13 10 1.40 3.90 -4 13 -10 2.20 3.00 -4 13 -10 1.20 3.10 -4 13 -10 7.80 5.60 5 -13 10 -7.70 6.30 -5 -13 -10 0.80 7.20 -5 13 -10 20.10 7.00 -5 13 -10 3.60 3.20 -5 13 -10 3.80 3.90 -10 14 10 6.10 4.60 10 14 -10 3.00 5.50 -9 -14 10 13.60 4.90 -9 14 10 10.00 4.40 9 14 -10 9.80 4.60 -8 -14 10 8.40 4.40 -8 14 10 6.00 4.00 -7 14 10 5.10 3.00 7 14 -10 9.50 4.10 -6 -14 10 86.79 9.40 6 14 -10 83.29 8.90 6 14 -10 84.19 9.20 -6 14 10 96.59 8.10 -5 -14 10 5.10 4.10 5 14 -10 12.30 4.20 -5 14 10 9.70 3.20 -4 14 10 119.39 7.80 4 14 -10 123.29 13.60 4 14 -10 132.79 9.70 4 14 -10 123.29 10.20 -3 14 10 3.70 1.70 3 14 -10 2.60 2.60 3 14 -10 -6.20 4.50 3 14 -10 -2.70 2.70 -2 -14 10 12.60 4.40 2 14 -10 6.10 5.50 2 14 -10 3.80 3.00 2 14 -10 6.90 4.00 -1 -14 10 3.50 4.00 1 14 -10 5.90 3.70 1 14 -10 1.80 2.70 -1 14 10 5.20 1.70 0 -14 -10 4.30 2.50 0 -14 10 1.00 4.00 0 14 -10 8.90 4.40 0 14 10 1.20 1.90 0 14 -10 8.60 3.10 -1 -14 -10 15.60 4.00 1 -14 10 20.00 5.80 -1 14 -10 13.30 5.10 -1 14 -10 14.20 3.70 -2 -14 -10 21.10 5.60 2 -14 10 5.10 5.00 -2 14 -10 17.70 5.60 2 14 10 5.20 3.50 -2 14 -10 11.00 3.50 3 -14 10 18.20 5.80 -3 -14 -10 0.00 5.30 -3 14 -10 0.90 4.80 -3 14 -10 7.00 3.40 3 14 10 7.00 3.60 -4 -14 -10 15.00 7.60 4 -14 10 11.40 6.20 -4 14 -10 13.70 4.10 -4 14 -10 3.30 6.10 4 14 10 6.80 4.70 -5 -14 -10 -4.80 7.90 5 -14 10 -11.10 6.40 -5 14 -10 -5.60 4.00 -5 14 -10 -2.50 3.40 -10 -15 10 77.99 10.80 -10 15 10 56.19 9.10 10 15 -10 86.49 12.70 -9 -15 10 22.60 6.30 -9 15 10 29.90 6.90 9 15 -10 29.50 7.30 -8 -15 10 1.40 4.00 -8 15 10 4.60 3.40 8 15 -10 -1.20 4.10 -7 -15 10 20.70 5.60 7 15 -10 23.50 5.50 -6 -15 10 12.60 4.50 6 15 -10 8.10 4.50 -6 15 10 15.30 3.90 6 15 -10 10.30 4.60 5 15 -10 36.30 6.60 -5 15 10 32.20 5.20 5 15 -10 48.10 7.70 4 15 -10 24.10 5.90 -4 15 10 20.40 4.00 4 15 -10 6.20 7.20 3 15 -10 25.90 5.10 -3 15 10 18.80 3.30 -2 -15 10 47.20 8.10 2 15 -10 72.29 10.90 -2 15 10 46.70 3.60 2 15 -10 47.80 6.90 2 15 -10 44.80 7.60 -1 -15 10 30.00 7.00 1 15 -10 48.90 7.90 -1 15 10 41.30 3.40 1 15 -10 33.40 5.40 0 -15 10 90.79 13.20 0 -15 -10 106.09 6.30 0 15 -10 112.79 8.50 0 15 10 93.79 6.40 0 15 -10 103.49 10.60 1 -15 10 4.80 4.60 -1 -15 -10 3.40 3.90 1 15 10 6.70 3.00 -1 15 -10 1.20 3.90 -1 15 -10 2.60 2.90 -2 -15 -10 12.70 5.30 2 -15 10 15.40 5.90 -2 15 -10 6.60 5.10 -2 15 -10 11.50 3.90 2 15 10 8.10 3.30 -3 -15 -10 5.10 5.50 3 -15 10 2.40 5.20 -3 15 -10 1.70 3.40 -3 15 -10 3.00 4.90 3 15 10 0.90 3.40 -4 -15 -10 34.50 9.00 4 -15 10 -1.30 6.10 -4 15 -10 16.90 5.00 -4 15 -10 7.90 6.50 4 15 10 9.90 5.40 -9 -16 10 5.90 4.70 9 16 -10 4.80 4.50 -9 16 10 13.90 5.20 -8 -16 10 -2.00 3.60 -8 16 10 4.10 3.50 -7 -16 10 7.60 4.50 -7 16 10 12.90 4.10 -6 -16 10 2.10 3.80 -6 16 10 -2.10 2.40 6 16 -10 -5.50 3.80 6 16 -10 -0.40 3.60 -5 16 10 1.60 2.50 5 16 -10 7.80 3.80 -4 16 10 8.00 2.70 4 16 -10 -0.30 3.40 3 16 -10 34.80 10.10 -3 16 10 40.10 4.80 3 16 -10 34.00 6.70 -2 -16 10 2.00 4.40 2 16 -10 -2.30 5.00 2 16 -10 9.60 4.10 2 16 -10 -0.90 2.50 -2 16 10 -2.30 1.30 -1 16 10 1.00 1.40 1 16 -10 -3.40 3.10 1 16 -10 1.70 3.10 0 -16 -10 7.20 2.20 0 16 10 6.80 2.30 0 16 -10 3.80 4.10 0 16 -10 7.50 3.60 1 -16 10 12.20 5.00 -1 16 -10 2.20 3.40 1 16 10 1.60 2.50 -1 16 -10 7.80 4.50 2 -16 10 35.70 7.50 -2 -16 -10 31.80 6.50 -2 16 -10 34.30 5.60 2 16 10 30.00 5.70 -2 16 -10 43.10 8.70 -3 -16 -10 18.70 7.00 3 -16 10 16.00 6.60 -3 16 -10 22.50 5.10 3 16 10 18.60 5.10 -3 16 -10 21.20 7.50 -4 -16 -10 -4.60 7.20 -4 16 -10 -2.50 3.80 -4 16 -10 1.20 6.70 4 16 10 6.30 4.70 -9 -17 10 18.20 7.80 9 17 -10 30.60 7.00 -9 17 10 24.10 6.40 -8 -17 10 1.60 4.20 8 17 -10 -3.00 4.00 -8 17 10 -6.10 3.00 -7 -17 10 8.10 4.50 -7 17 10 10.20 4.40 7 17 -10 9.50 5.00 -6 -17 10 34.90 7.00 6 17 -10 46.20 7.80 -6 17 10 39.00 6.10 -5 17 10 108.69 8.60 5 17 -10 131.99 10.80 5 17 -10 115.69 10.70 -4 17 10 3.60 2.20 4 17 -10 -2.10 3.40 4 17 -10 -0.20 3.60 -3 17 10 1.20 2.00 3 17 -10 4.20 3.30 -2 -17 10 114.99 11.60 -2 17 10 114.99 6.60 -2 17 10 112.09 6.30 2 17 -10 104.49 10.40 -1 -17 10 10.20 5.20 -1 17 10 12.40 1.70 -1 17 10 17.60 2.20 1 17 -10 11.70 4.10 -1 17 10 15.10 1.70 1 17 -10 19.00 5.30 0 -17 10 80.89 10.70 0 17 -10 48.20 6.50 0 17 -10 65.99 9.70 0 17 10 60.49 5.00 1 -17 10 9.20 5.20 -1 -17 -10 3.80 3.80 1 17 10 5.20 2.80 -1 17 -10 9.50 3.90 -1 17 -10 1.50 4.10 -2 -17 -10 16.10 5.10 2 -17 10 9.30 5.80 -2 17 -10 9.40 4.20 -2 17 -10 3.20 4.80 2 17 10 17.50 4.50 -3 -17 -10 26.60 7.30 3 -17 10 21.00 6.90 3 17 10 4.00 4.80 -3 17 -10 9.40 6.30 -4 -17 -10 -1.90 7.10 4 -17 10 -0.90 5.90 4 17 10 -9.50 4.20 -9 -18 10 29.60 7.50 9 18 -10 28.40 8.00 -9 18 10 19.20 6.50 -8 -18 10 8.00 5.40 -8 18 10 4.60 4.30 8 18 -10 19.70 6.60 -7 -18 10 86.49 11.10 7 18 -10 77.39 10.10 -7 18 10 70.79 8.80 -6 18 10 32.80 5.80 6 18 -10 45.50 7.80 5 18 -10 39.40 7.50 -5 18 10 39.20 6.10 4 18 -10 37.90 7.50 -4 18 10 40.40 5.90 4 18 -10 47.00 7.30 -3 18 10 1.80 2.10 3 18 -10 5.40 3.90 3 18 -10 2.80 3.60 -2 -18 10 87.49 11.60 -2 18 10 92.69 6.30 2 18 -10 101.89 10.40 -1 -18 10 8.20 5.10 -1 18 10 7.30 1.60 -1 18 10 6.50 1.50 -1 18 10 9.50 1.50 1 18 -10 8.80 4.50 0 -18 10 105.99 12.10 0 18 -10 91.59 11.60 0 18 10 92.09 6.10 -1 -18 -10 32.60 5.30 1 -18 10 19.40 6.60 -1 18 -10 24.00 6.90 1 18 10 29.10 4.60 2 -18 10 31.40 7.70 -2 18 -10 25.70 7.60 2 18 10 32.70 6.00 -3 -18 -10 5.60 6.00 3 18 10 -4.10 3.80 -3 18 -10 10.10 6.00 -8 -19 10 1.10 4.80 -8 19 10 -0.10 3.60 8 19 -10 9.90 6.10 -7 -19 10 26.40 6.60 -7 19 10 19.60 5.00 7 19 -10 18.70 5.70 6 19 -10 6.90 4.50 -6 19 10 5.90 4.10 5 19 -10 23.90 6.60 -5 19 10 9.50 4.00 4 19 -10 -0.90 3.60 -4 19 10 2.50 2.60 4 19 -10 6.90 3.90 3 19 -10 99.59 9.70 3 19 -10 103.29 11.00 -3 19 10 97.99 7.40 -2 -19 10 18.40 6.70 -2 19 10 9.50 2.70 2 19 -10 0.60 3.80 -2 19 10 14.70 3.30 2 19 -10 14.10 4.90 -1 -19 10 9.90 5.60 -1 19 10 11.50 1.60 -1 19 10 12.60 1.70 -1 19 10 11.70 2.20 -1 19 10 9.00 2.00 1 19 -10 15.10 4.40 1 19 -10 8.30 4.90 0 -19 10 12.40 5.90 0 19 10 16.50 2.90 0 19 -10 11.40 5.30 1 -19 10 49.99 9.10 -1 -19 -10 47.70 5.80 -1 19 -10 41.90 8.50 1 19 10 52.79 5.80 2 -19 10 -5.40 5.70 -2 -19 -10 3.50 5.00 -2 19 -10 8.10 5.20 -2 19 -10 11.10 4.60 2 19 10 2.60 5.70 -3 -19 -10 -2.90 6.50 3 -19 10 -7.20 6.20 3 19 10 4.50 3.60 -3 19 -10 0.00 4.50 -8 20 10 7.30 4.80 8 20 -10 -2.00 5.10 7 20 -10 41.70 7.90 -7 20 10 27.60 6.20 -6 20 10 7.30 3.70 6 20 -10 6.10 5.20 -5 20 10 10.30 4.00 5 20 -10 1.00 4.00 -4 20 10 8.10 3.20 4 20 -10 13.40 4.80 -3 20 10 2.30 3.00 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5.30 2.90 3 3 -12 10.00 3.80 3 3 -12 4.00 2.40 -2 -3 12 2.20 3.20 -2 3 12 5.20 2.80 2 3 -12 2.10 3.20 -1 -3 12 52.59 7.80 1 -3 -12 54.99 7.40 -1 3 12 61.19 6.60 1 3 -12 52.29 7.90 0 -3 12 177.18 14.30 0 -3 -12 204.38 13.40 0 3 12 181.58 11.50 1 -3 12 65.89 8.70 -1 -3 -12 46.60 8.60 1 3 12 54.29 7.20 -1 3 -12 53.79 9.00 2 -3 12 27.10 6.30 -2 3 -12 39.00 9.00 2 3 12 44.00 6.80 3 -3 12 24.70 7.60 3 3 12 22.10 6.50 -3 3 -12 25.30 8.60 -10 -4 12 2.90 4.50 -10 4 12 6.80 4.30 10 4 -12 -1.50 4.60 -9 -4 12 1.40 3.60 -9 4 12 6.00 3.60 9 4 -12 1.10 3.50 -8 -4 12 51.59 7.50 8 4 -12 59.59 6.80 8 4 -12 61.59 9.10 -8 4 12 68.89 7.30 -7 4 12 109.09 8.70 7 4 -12 101.69 8.60 -6 -4 12 34.70 5.40 -6 4 12 29.00 4.60 6 4 -12 28.00 5.20 6 4 -12 24.40 5.30 -5 -4 12 -3.20 2.30 5 -4 -12 -0.10 1.30 -5 4 12 -0.30 2.00 5 4 -12 -2.50 3.00 5 4 -12 -5.40 2.60 4 -4 -12 41.90 4.20 4 -4 -12 37.40 4.40 4 4 -12 35.90 5.80 -4 4 12 38.30 4.40 4 4 -12 33.70 5.30 3 -4 -12 26.10 4.40 -3 -4 12 16.30 5.00 3 4 -12 19.60 3.70 -3 4 12 19.60 5.70 3 4 -12 17.70 4.80 2 -4 -12 52.69 6.20 -2 -4 12 43.90 7.00 2 4 -12 38.80 6.40 -2 4 12 39.40 5.70 2 4 -12 44.60 4.40 -1 -4 12 39.50 6.80 1 -4 -12 46.80 6.90 1 4 -12 59.79 3.70 -1 4 12 51.29 6.40 1 4 -12 37.20 6.80 0 -4 -12 0.10 3.90 0 -4 12 -3.10 2.90 0 4 -12 5.40 4.50 0 4 12 -2.00 2.90 -1 -4 -12 -7.20 3.80 1 -4 12 3.00 3.70 1 4 12 1.30 3.00 -1 4 -12 -7.70 4.50 -2 -4 -12 -4.60 4.90 2 -4 12 -4.10 4.20 2 4 12 3.10 3.60 -2 4 -12 5.70 6.20 3 -4 12 7.60 5.50 -3 -4 -12 1.00 6.20 -3 4 -12 -4.00 5.20 3 4 12 2.90 4.50 -10 -5 12 31.70 7.50 -10 5 12 53.59 8.30 -9 -5 12 107.49 10.30 -9 5 12 111.89 9.90 9 5 -12 103.19 9.60 -8 -5 12 37.60 6.50 -8 5 12 23.60 4.70 8 5 -12 9.60 5.90 8 5 -12 32.10 5.60 -7 -5 12 1.40 2.90 7 5 -12 6.30 3.90 -7 5 12 7.10 3.30 -6 -5 12 23.60 5.10 -6 5 12 31.60 4.90 6 5 -12 22.90 4.90 6 5 -12 32.20 5.70 -5 -5 12 13.20 4.00 5 5 -12 19.40 4.50 -5 5 12 16.20 3.10 5 5 -12 12.50 4.00 4 -5 -12 18.10 2.00 4 5 -12 8.80 4.00 4 5 -12 11.80 3.80 -4 5 12 19.70 4.90 -3 -5 12 38.80 6.40 3 -5 -12 32.70 4.30 3 -5 -12 26.40 4.00 3 5 -12 37.20 4.90 3 5 -12 38.80 6.40 -2 -5 12 52.19 7.60 2 -5 -12 57.29 7.00 2 -5 -12 60.09 9.20 2 5 -12 53.19 7.60 -2 5 12 51.69 6.90 2 5 -12 55.49 5.00 1 -5 -12 13.20 4.30 -1 5 12 16.90 3.90 1 5 -12 19.00 2.90 0 -5 12 18.40 5.50 0 -5 -12 20.30 5.50 0 5 12 25.00 5.00 0 5 -12 28.80 6.50 1 -5 12 5.20 4.40 -1 -5 -12 9.20 5.50 -1 5 -12 13.10 5.40 1 5 12 16.60 4.70 -2 -5 -12 5.90 5.90 2 -5 12 1.10 4.60 2 5 12 8.50 4.00 -2 5 -12 -5.00 4.30 -3 -5 -12 0.30 7.40 3 -5 12 -0.30 5.10 -3 5 -12 5.10 7.20 3 5 12 8.10 5.40 -9 -6 12 5.50 4.00 -9 6 12 -5.10 3.20 9 6 -12 3.80 4.30 -8 -6 12 56.69 7.80 -8 6 12 51.49 7.20 8 6 -12 56.49 7.50 -7 -6 12 14.40 4.50 7 6 -12 26.60 6.60 7 6 -12 29.20 5.80 -7 6 12 29.10 4.90 -6 -6 12 5.90 3.40 6 6 -12 6.00 3.50 6 6 -12 2.70 3.50 -5 -6 12 -3.90 2.60 -5 6 12 4.70 2.00 5 6 -12 0.50 2.90 5 6 -12 -1.00 2.70 4 6 -12 2.90 2.80 4 6 -12 3.20 3.10 3 -6 -12 7.80 3.60 -3 -6 12 3.70 4.10 3 -6 -12 5.60 2.10 3 6 -12 3.80 3.60 3 6 -12 2.80 3.10 2 -6 -12 4.50 3.40 -2 -6 12 -4.20 3.70 2 -6 -12 5.20 3.20 -2 6 12 4.30 2.30 2 6 -12 0.80 2.10 1 -6 -12 3.00 3.60 -1 -6 12 9.60 4.20 -1 6 12 8.90 3.30 1 6 -12 12.00 2.80 1 6 -12 10.30 4.50 0 -6 -12 43.00 7.10 0 -6 12 28.60 7.30 0 6 -12 38.50 3.30 0 6 -12 45.50 7.80 0 6 12 38.80 5.80 1 -6 12 152.88 12.30 -1 -6 -12 172.68 13.50 1 6 12 162.68 11.00 -1 6 -12 155.98 13.80 2 -6 12 -6.60 4.50 -2 -6 -12 -10.70 5.50 -2 6 -12 -0.90 5.60 2 6 12 9.90 4.00 3 -6 12 7.20 6.70 -3 6 -12 9.80 8.00 3 6 12 6.20 4.30 -9 -7 12 7.00 4.30 -9 7 12 0.60 3.90 9 7 -12 12.50 5.10 -8 -7 12 29.60 6.10 8 7 -12 23.80 5.60 -8 7 12 26.90 5.30 -7 -7 12 30.60 5.60 -7 7 12 15.40 4.10 7 7 -12 25.00 6.10 7 7 -12 17.40 4.80 -6 -7 12 6.30 3.40 -6 7 12 8.00 2.90 6 7 -12 8.30 3.70 -5 -7 12 30.20 5.80 5 7 -12 44.00 6.50 -5 7 12 34.10 4.40 5 7 -12 34.30 6.00 4 7 -12 3.60 2.90 4 7 -12 3.60 3.20 3 7 -12 6.70 3.10 2 -7 -12 72.09 5.70 -2 -7 12 68.29 9.20 2 -7 -12 59.19 6.30 2 7 -12 56.69 8.20 -2 7 12 69.79 5.90 2 7 -12 45.30 5.70 -1 -7 12 23.30 5.70 1 7 -12 28.80 3.90 1 7 -12 24.60 6.20 0 -7 -12 23.60 5.70 0 -7 12 36.70 6.90 0 7 -12 27.30 3.40 0 7 12 33.10 5.20 0 7 -12 38.80 8.00 1 -7 12 0.90 4.90 -1 -7 -12 12.20 5.20 -1 7 -12 9.90 4.90 1 7 12 -0.10 3.00 -1 7 -12 3.10 1.20 2 -7 12 69.59 10.10 -2 -7 -12 67.49 10.00 2 7 12 85.29 8.60 -2 7 -12 59.29 10.10 3 -7 12 13.80 6.40 3 7 12 22.10 5.80 -9 -8 12 14.70 5.60 -9 8 12 17.20 5.60 9 8 -12 14.60 5.50 -8 -8 12 13.40 4.10 -8 8 12 3.20 3.60 8 8 -12 10.60 7.20 -7 -8 12 -0.80 3.70 7 8 -12 2.90 3.50 7 8 -12 -5.50 4.60 -7 8 12 1.90 2.90 -6 8 12 6.80 2.80 6 8 -12 11.00 4.10 -5 -8 12 20.30 4.60 5 8 -12 22.40 4.90 -5 8 12 14.50 3.20 5 8 -12 29.90 5.60 -4 8 12 9.00 3.30 4 8 -12 1.10 3.70 -3 -8 12 21.90 5.90 3 8 -12 14.20 4.10 3 8 -12 17.10 5.10 -2 -8 12 76.99 10.00 2 -8 -12 82.69 5.10 2 -8 -12 80.29 5.50 2 8 -12 66.69 8.90 -2 8 12 83.39 6.20 -1 -8 12 -4.10 3.90 1 -8 -12 -3.10 3.00 1 8 -12 3.20 2.30 1 8 -12 -10.50 3.30 -1 8 12 -3.80 2.20 0 -8 12 14.30 5.20 0 -8 -12 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12 -12 -1.10 3.70 -2 -12 12 14.80 5.70 2 12 -12 1.80 4.60 -2 12 12 6.10 1.80 2 12 -12 5.40 3.40 -1 -12 12 -0.40 4.90 1 12 -12 2.40 3.10 1 12 -12 -5.80 3.70 -1 12 12 1.70 2.10 0 -12 12 12.10 6.00 0 -12 -12 5.80 4.00 0 12 12 9.90 3.40 0 12 -12 6.80 3.30 0 12 -12 12.20 5.70 -1 -12 -12 3.50 5.30 1 12 12 6.60 3.90 -1 12 -12 2.70 3.00 -1 12 -12 0.60 5.70 -2 -12 -12 98.89 12.00 2 -12 12 112.49 12.90 2 12 12 104.09 9.40 -2 12 -12 133.89 14.50 -8 -13 12 9.90 5.00 8 13 -12 -1.10 4.90 -8 13 12 -1.80 4.00 -7 -13 12 0.80 4.50 -7 13 12 3.70 3.50 7 13 -12 -5.00 4.40 6 13 -12 9.60 5.10 -6 13 12 2.00 2.80 -5 13 12 36.80 4.80 5 13 -12 42.30 7.10 5 13 -12 33.60 6.60 4 13 -12 10.90 5.40 -4 13 12 8.70 2.60 3 13 -12 11.80 5.10 3 13 -12 24.30 5.00 -2 -13 12 0.70 5.00 2 13 -12 -4.60 2.90 2 13 -12 -1.10 3.80 -1 -13 12 -8.90 4.90 1 13 -12 -1.60 3.10 1 13 -12 -1.60 4.20 -1 13 12 0.20 1.90 0 -13 -12 77.79 6.60 0 -13 12 70.89 10.90 0 13 -12 60.89 10.60 0 13 12 80.99 6.70 0 13 -12 75.19 7.40 1 -13 12 9.40 5.70 -1 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12 32.80 4.50 4 18 -12 34.00 7.80 -3 18 12 3.10 1.90 3 18 -12 5.20 5.40 -3 18 12 5.00 1.70 -2 -18 12 45.80 10.00 2 18 -12 58.09 8.30 2 18 -12 44.60 9.90 -1 -18 12 66.39 11.30 1 18 -12 86.39 12.60 1 18 -12 55.79 7.80 -4 19 12 50.69 5.50 4 19 -12 46.00 9.10 -3 19 12 35.00 3.60 3 19 -12 31.00 8.30 -3 19 12 38.00 3.60 8 0 -13 2.00 4.90 -8 0 13 2.00 3.40 8 0 -13 0.80 3.20 7 0 -13 15.80 3.90 -7 0 13 8.00 4.00 6 0 -13 4.00 3.00 -6 0 13 1.60 2.90 6 0 -13 6.40 3.70 5 0 -13 127.99 9.20 -5 0 13 136.99 8.90 4 0 -13 -1.80 3.00 3 0 -13 -0.10 3.70 -3 0 13 0.60 2.90 2 0 -13 0.20 3.70 -2 0 13 -0.90 3.10 -1 0 13 4.20 4.40 1 0 -13 17.80 5.70 0 0 -13 1.90 4.90 0 0 13 7.60 4.20 -1 0 -13 495.05 28.00 8 -1 -13 29.80 7.00 8 -1 -13 34.00 4.20 8 1 -13 25.40 6.70 -8 1 13 34.30 6.10 8 1 -13 28.00 5.10 7 -1 -13 82.39 6.10 7 1 -13 95.29 7.50 -7 1 13 69.79 8.00 -6 -1 13 12.70 3.80 6 -1 -13 11.30 3.30 -6 1 13 5.00 3.10 6 1 -13 3.80 5.10 6 1 -13 8.60 4.10 -5 -1 13 66.69 6.90 5 -1 -13 59.39 6.40 -5 1 13 74.99 6.60 5 1 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_shelx_hkl_checksum 25450