# Electronic Supplementary Material (ESI) for Chemical Science. # This journal is © The Royal Society of Chemistry 2022 ####################################################################### # # 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_jly-2021-02 _database_code_depnum_ccdc_archive 'CCDC 2092729' loop_ _audit_author_name _audit_author_address 'Liyin ljiang' ;the Institute of Chemical Research of Catalonia Spain ; _audit_update_record ; 2021-06-28 deposited with the CCDC. 2022-03-14 downloaded from the CCDC. ; _audit_creation_method SHELXL-2018/3 _shelx_SHELXL_version_number 2018/3 _chemical_name_systematic ? _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C28 H41 F O4' _chemical_formula_weight 460.61 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' O O 0.0106 0.0060 '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' _space_group_crystal_system monoclinic _space_group_IT_number 4 _space_group_name_H-M_alt 'P 21' _space_group_name_Hall 'P 2yb' _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+1/2, -z' _cell_length_a 10.3779(6) _cell_length_b 7.2974(4) _cell_length_c 33.470(3) _cell_angle_alpha 90 _cell_angle_beta 98.797(6) _cell_angle_gamma 90 _cell_volume 2504.9(3) _cell_formula_units_Z 4 _cell_measurement_temperature 100(2) _cell_measurement_reflns_used 3464 _cell_measurement_theta_min 2.4780 _cell_measurement_theta_max 25.2160 _exptl_crystal_description Plate _exptl_crystal_colour ? _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_density_diffrn 1.221 _exptl_crystal_F_000 1000 _exptl_transmission_factor_min ? _exptl_transmission_factor_max ? _exptl_crystal_size_max 0.150 _exptl_crystal_size_mid 0.050 _exptl_crystal_size_min 0.030 _exptl_absorpt_coefficient_mu 0.084 _shelx_estimated_absorpt_T_min 0.987 _shelx_estimated_absorpt_T_max 0.997 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.49118 _exptl_absorpt_correction_T_max 1.00000 _exptl_absorpt_process_details ; CrysAlisPro 1.171.40.35a (Rigaku Oxford Diffraction, 2018) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. ; _exptl_absorpt_special_details ? _diffrn_ambient_temperature 100(2) _diffrn_radiation_wavelength 0.71075 _diffrn_radiation_type MoK\a _diffrn_source 'Microfocus rotating anode X-ray tube' _diffrn_source_type 'Rigaku MicroMax-007HF' _diffrn_source_power 50 _diffrn_source_current 24 _diffrn_source_size '0.2 mm x 0.2 mm fine focus' _diffrn_radiation_monochromator 'Confocal Max Flux optic' _diffrn_detector_type 'PILATUS 200K' _diffrn_measurement_device_type '1/4chi goniometer' _diffrn_measurement_method ; Fullsphere data collection, phi and omega scans ; _diffrn_detector_area_resol_mean 5.8140 _diffrn_reflns_number 14278 _diffrn_reflns_av_unetI/netI 0.0812 _diffrn_reflns_av_R_equivalents 0.0422 _diffrn_reflns_limit_h_min -12 _diffrn_reflns_limit_h_max 12 _diffrn_reflns_limit_k_min -9 _diffrn_reflns_limit_k_max 8 _diffrn_reflns_limit_l_min -40 _diffrn_reflns_limit_l_max 43 _diffrn_reflns_theta_min 1.986 _diffrn_reflns_theta_max 27.557 _diffrn_reflns_theta_full 25.242 _diffrn_measured_fraction_theta_max 0.838 _diffrn_measured_fraction_theta_full 0.971 _diffrn_reflns_Laue_measured_fraction_max 0.838 _diffrn_reflns_Laue_measured_fraction_full 0.971 _diffrn_reflns_point_group_measured_fraction_max 0.701 _diffrn_reflns_point_group_measured_fraction_full 0.840 _reflns_number_total 8152 _reflns_number_gt 5410 _reflns_threshold_expression 'I > 2\s(I)' _reflns_Friedel_coverage 0.551 _reflns_Friedel_fraction_max 0.540 _reflns_Friedel_fraction_full 0.685 _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 'CrysAlisPro 1.171.40.84a (Rigaku OD, 2020)' _computing_cell_refinement 'CrysAlisPro 1.171.40.84a (Rigaku OD, 2020)' _computing_data_reduction 'CrysAlisPro 1.171.40.84a (Rigaku OD, 2020)' _computing_structure_solution Sir2019 _computing_structure_refinement 'SHELXL-2018/3 (Sheldrick, 2018)' _computing_molecular_graphics 'shelXle (H\"ubschle, Sheldrick and Dittirch, 2011)' _computing_publication_material 'SHELXL-2018/3 (Sheldrick, 2018)' _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^)+(0.0646P)^2^] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary ? _atom_sites_solution_secondary ? _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment constr _refine_ls_extinction_method none _refine_ls_extinction_coef . _refine_ls_abs_structure_details ; Flack x determined using 1669 quotients [(I+)-(I-)]/[(I+)+(I-)] (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259). ; _refine_ls_abs_structure_Flack 0.7(7) _chemical_absolute_configuration ad _refine_ls_number_reflns 8152 _refine_ls_number_parameters 605 _refine_ls_number_restraints 1 _refine_ls_R_factor_all 0.0942 _refine_ls_R_factor_gt 0.0535 _refine_ls_wR_factor_ref 0.1279 _refine_ls_wR_factor_gt 0.1122 _refine_ls_goodness_of_fit_ref 0.966 _refine_ls_restrained_S_all 0.966 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_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 O1A O 0.1070(3) 0.1409(4) 0.54102(9) 0.0398(8) Uani 1 1 d . . . . . O2A O -0.0992(3) 0.1531(5) 0.55281(11) 0.0598(10) Uani 1 1 d . . . . . O3A O 0.4269(3) 0.2809(5) 0.90571(9) 0.0476(9) Uani 1 1 d . . . . . O4A O 0.5597(3) 0.4985(4) 0.93713(9) 0.0427(8) Uani 1 1 d . . . . . F1A F 0.7714(2) 0.1240(4) 0.85655(8) 0.0461(7) Uani 1 1 d . . . . . C1A C 0.5670(4) 0.2599(6) 0.82770(13) 0.0337(10) Uani 1 1 d . . . . . H1A H 0.477585 0.281831 0.834354 0.040 Uiso 1 1 calc R U . . . C2A C 0.5478(4) 0.1764(5) 0.78490(13) 0.0284(10) Uani 1 1 d . . . . . C3A C 0.4409(4) 0.0277(6) 0.77589(13) 0.0320(10) Uani 1 1 d . . . . . H3AA H 0.470505 -0.086020 0.790618 0.038 Uiso 1 1 calc R U . . . H3AB H 0.360562 0.069944 0.785628 0.038 Uiso 1 1 calc R U . . . C4A C 0.4111(4) -0.0125(6) 0.73077(12) 0.0306(10) Uani 1 1 d . . . . . H4AA H 0.338162 -0.101261 0.726126 0.037 Uiso 1 1 calc R U . . . H4AB H 0.488291 -0.072089 0.722334 0.037 Uiso 1 1 calc R U . . . C5A C 0.3749(4) 0.1552(6) 0.70367(13) 0.0290(10) Uani 1 1 d . . . . . H5A H 0.288433 0.198024 0.709720 0.035 Uiso 1 1 calc R U . . . C6A C 0.3546(4) 0.1107(6) 0.65799(12) 0.0284(10) Uani 1 1 d . . . . . C7A C 0.2308(4) -0.0098(6) 0.64775(13) 0.0316(10) Uani 1 1 d . . . . . H7AA H 0.250247 -0.133092 0.659465 0.038 Uiso 1 1 calc R U . . . H7AB H 0.160861 0.043917 0.661136 0.038 Uiso 1 1 calc R U . . . C8A C 0.1790(4) -0.0316(6) 0.60283(13) 0.0332(11) Uani 1 1 d . . . . . H8AA H 0.243387 -0.098582 0.589372 0.040 Uiso 1 1 calc R U . . . H8AB H 0.096949 -0.102949 0.599286 0.040 Uiso 1 1 calc R U . . . C9A C 0.1546(4) 0.1556(6) 0.58402(13) 0.0353(11) Uani 1 1 d . . . . . H9A H 0.088408 0.221330 0.597501 0.042 Uiso 1 1 calc R U . . . C10A C 0.2792(4) 0.2666(6) 0.58884(13) 0.0357(11) Uani 1 1 d . . . . . H10A H 0.343891 0.204699 0.574578 0.043 Uiso 1 1 calc R U . . . H10B H 0.261254 0.389200 0.576595 0.043 Uiso 1 1 calc R U . . . C11A C 0.3342(4) 0.2870(6) 0.63316(13) 0.0304(10) Uani 1 1 d . . . . . C12A C 0.3596(4) 0.4534(6) 0.64946(13) 0.0317(11) Uani 1 1 d . . . . . H12A H 0.341169 0.556736 0.632269 0.038 Uiso 1 1 calc R U . . . C13A C 0.4143(4) 0.4879(6) 0.69233(13) 0.0308(10) Uani 1 1 d . . . . . H13A H 0.344710 0.537980 0.706393 0.037 Uiso 1 1 calc R U . . . H13B H 0.483658 0.581662 0.693500 0.037 Uiso 1 1 calc R U . . . C14A C 0.4704(4) 0.3176(5) 0.71444(13) 0.0276(10) Uani 1 1 d . . . . . H14A H 0.555055 0.287354 0.705173 0.033 Uiso 1 1 calc R U . . . C15A C 0.4950(4) 0.3453(5) 0.75979(13) 0.0298(10) Uani 1 1 d . . . . . H15A H 0.408425 0.374402 0.767907 0.036 Uiso 1 1 calc R U . . . C16A C 0.5875(4) 0.5003(6) 0.77667(13) 0.0367(11) Uani 1 1 d . . . . . H16A H 0.542904 0.620552 0.773311 0.044 Uiso 1 1 calc R U . . . H16B H 0.665286 0.503857 0.762881 0.044 Uiso 1 1 calc R U . . . C17A C 0.6257(4) 0.4528(6) 0.82182(14) 0.0402(12) Uani 1 1 d . . . . . H17A H 0.589808 0.544692 0.838890 0.048 Uiso 1 1 calc R U . . . H17B H 0.721782 0.450383 0.829287 0.048 Uiso 1 1 calc R U . . . C18A C 0.6762(4) 0.1061(6) 0.77308(13) 0.0364(11) Uani 1 1 d . . . . . H18A H 0.664185 0.081926 0.743950 0.055 Uiso 1 1 calc R U . . . H18B H 0.702008 -0.007260 0.787860 0.055 Uiso 1 1 calc R U . . . H18C H 0.744327 0.198815 0.779901 0.055 Uiso 1 1 calc R U . . . C19A C 0.4727(4) 0.0065(6) 0.64520(13) 0.0320(10) Uani 1 1 d . . . . . H19A H 0.461187 -0.003211 0.615666 0.048 Uiso 1 1 calc R U . . . H19B H 0.477914 -0.116534 0.657073 0.048 Uiso 1 1 calc R U . . . H19C H 0.553233 0.073659 0.654813 0.048 Uiso 1 1 calc R U . . . C20A C 0.6416(4) 0.1550(6) 0.86384(14) 0.0373(11) Uani 1 1 d . . . . . C21A C 0.5865(4) -0.0353(6) 0.87048(14) 0.0443(12) Uani 1 1 d . . . . . H21A H 0.494013 -0.024611 0.873086 0.066 Uiso 1 1 calc R U . . . H21B H 0.634345 -0.089032 0.895228 0.066 Uiso 1 1 calc R U . . . H21C H 0.595850 -0.114091 0.847389 0.066 Uiso 1 1 calc R U . . . C22A C 0.6568(4) 0.2708(6) 0.90204(13) 0.0366(11) Uani 1 1 d . . . . . C23A C 0.7720(4) 0.3042(7) 0.92430(15) 0.0509(13) Uani 1 1 d . . . . . H23A H 0.777023 0.375884 0.948174 0.061 Uiso 1 1 calc R U . . . H23B H 0.849312 0.256222 0.916309 0.061 Uiso 1 1 calc R U . . . C24A C 0.5352(4) 0.3455(7) 0.91438(13) 0.0395(11) Uani 1 1 d . . . . . C25A C 0.4460(4) 0.5859(7) 0.94927(15) 0.0470(13) Uani 1 1 d . . . . . H25A H 0.394864 0.495609 0.962365 0.056 Uiso 1 1 calc R U . . . H25B H 0.389535 0.636983 0.925347 0.056 Uiso 1 1 calc R U . . . C26A C 0.4934(5) 0.7359(8) 0.97829(15) 0.0562(14) Uani 1 1 d . . . . . H26A H 0.418598 0.797908 0.986956 0.084 Uiso 1 1 calc R U . . . H26B H 0.543951 0.824417 0.965018 0.084 Uiso 1 1 calc R U . . . H26C H 0.548731 0.683785 1.001904 0.084 Uiso 1 1 calc R U . . . C27A C -0.0230(4) 0.1424(6) 0.52944(15) 0.0398(11) Uani 1 1 d . . . . . C28A C -0.0570(4) 0.1319(7) 0.48466(14) 0.0480(12) Uani 1 1 d . . . . . H28A H -0.133886 0.208011 0.475774 0.072 Uiso 1 1 calc R U . . . H28B H -0.076102 0.004491 0.476588 0.072 Uiso 1 1 calc R U . . . H28C H 0.016473 0.176320 0.472146 0.072 Uiso 1 1 calc R U . . . O1B O 0.5912(3) 0.5814(4) 0.54524(9) 0.0433(8) Uani 1 1 d . . . . . O2B O 0.4016(3) 0.7074(5) 0.55414(10) 0.0564(10) Uani 1 1 d . . . . . O3B O 0.8920(3) 0.7138(4) 0.90083(9) 0.0447(8) Uani 1 1 d . . . . . O4B O 0.9813(3) 0.8750(4) 0.95476(9) 0.0446(8) Uani 1 1 d . . . . . F1B F 1.26467(19) 0.7477(4) 0.86218(7) 0.0391(6) Uani 1 1 d . . . . . C1B C 1.0499(4) 0.8035(5) 0.82728(13) 0.0297(10) Uani 1 1 d . . . . . H1B H 0.957580 0.805377 0.832495 0.036 Uiso 1 1 calc R U . . . C2B C 1.0470(3) 0.7087(5) 0.78565(13) 0.0276(10) Uani 1 1 d . . . . . C3B C 0.9549(4) 0.5436(5) 0.77745(12) 0.0291(10) Uani 1 1 d . . . . . H3BA H 0.993426 0.436963 0.793253 0.035 Uiso 1 1 calc R U . . . H3BB H 0.870674 0.572618 0.786438 0.035 Uiso 1 1 calc R U . . . C4B C 0.9310(4) 0.4941(6) 0.73234(12) 0.0298(10) Uani 1 1 d . . . . . H4BA H 1.013649 0.448065 0.724720 0.036 Uiso 1 1 calc R U . . . H4BB H 0.866935 0.392710 0.728214 0.036 Uiso 1 1 calc R U . . . C5B C 0.8811(4) 0.6512(5) 0.70380(13) 0.0279(10) Uani 1 1 d . . . . . H5B H 0.793470 0.683996 0.710601 0.033 Uiso 1 1 calc R U . . . C6B C 0.8579(4) 0.6002(6) 0.65882(12) 0.0272(10) Uani 1 1 d . . . . . C7B C 0.7428(4) 0.4625(6) 0.65131(13) 0.0331(10) Uani 1 1 d . . . . . H7BA H 0.772763 0.343510 0.663580 0.040 Uiso 1 1 calc R U . . . H7BB H 0.672116 0.507526 0.665529 0.040 Uiso 1 1 calc R U . . . C8B C 0.6864(4) 0.4300(6) 0.60694(13) 0.0355(11) Uani 1 1 d . . . . . H8BA H 0.752861 0.372073 0.592767 0.043 Uiso 1 1 calc R U . . . H8BB H 0.610419 0.346657 0.605072 0.043 Uiso 1 1 calc R U . . . C9B C 0.6451(4) 0.6108(6) 0.58746(13) 0.0372(11) Uani 1 1 d . . . . . H9B H 0.577566 0.668418 0.601791 0.045 Uiso 1 1 calc R U . . . C10B C 0.7618(4) 0.7380(6) 0.58945(13) 0.0368(11) Uani 1 1 d . . . . . H10C H 0.826752 0.683428 0.574186 0.044 Uiso 1 1 calc R U . . . H10D H 0.733421 0.856640 0.576678 0.044 Uiso 1 1 calc R U . . . C11B C 0.8236(4) 0.7700(6) 0.63257(13) 0.0293(10) Uani 1 1 d . . . . . C12B C 0.8448(4) 0.9388(6) 0.64700(13) 0.0320(11) Uani 1 1 d . . . . . H12B H 0.820578 1.037314 0.628841 0.038 Uiso 1 1 calc R U . . . C13B C 0.9031(4) 0.9870(6) 0.68908(13) 0.0299(10) Uani 1 1 d . . . . . H13C H 0.834214 1.037964 0.703292 0.036 Uiso 1 1 calc R U . . . H13D H 0.969573 1.083683 0.688184 0.036 Uiso 1 1 calc R U . . . C14B C 0.9662(4) 0.8251(5) 0.71297(12) 0.0273(10) Uani 1 1 d . . . . . H14B H 1.053295 0.802126 0.704628 0.033 Uiso 1 1 calc R U . . . C15B C 0.9858(4) 0.8640(5) 0.75782(12) 0.0276(10) Uani 1 1 d . . . . . H15B H 0.896095 0.880857 0.764698 0.033 Uiso 1 1 calc R U . . . C16B C 1.0612(4) 1.0346(5) 0.77396(12) 0.0301(10) Uani 1 1 d . . . . . H16C H 1.009067 1.146705 0.766769 0.036 Uiso 1 1 calc R U . . . H16D H 1.144315 1.044372 0.763044 0.036 Uiso 1 1 calc R U . . . C17B C 1.0860(4) 1.0063(6) 0.81981(13) 0.0339(10) Uani 1 1 d . . . . . H17C H 1.031213 1.090604 0.833190 0.041 Uiso 1 1 calc R U . . . H17D H 1.178700 1.029728 0.830654 0.041 Uiso 1 1 calc R U . . . C18B C 1.1845(4) 0.6587(5) 0.77730(13) 0.0302(10) Uani 1 1 d . . . . . H18D H 1.180888 0.628695 0.748614 0.045 Uiso 1 1 calc R U . . . H18E H 1.216918 0.552592 0.793785 0.045 Uiso 1 1 calc R U . . . H18F H 1.243180 0.762978 0.784197 0.045 Uiso 1 1 calc R U . . . C19B C 0.9802(4) 0.5109(6) 0.64518(13) 0.0341(10) Uani 1 1 d . . . . . H19D H 0.964807 0.493715 0.615791 0.051 Uiso 1 1 calc R U . . . H19E H 0.996861 0.391771 0.658490 0.051 Uiso 1 1 calc R U . . . H19F H 1.055850 0.590897 0.652650 0.051 Uiso 1 1 calc R U . . . C20B C 1.1301(4) 0.7231(6) 0.86527(13) 0.0337(11) Uani 1 1 d . . . . . C21B C 1.1145(4) 0.5169(6) 0.87144(14) 0.0388(11) Uani 1 1 d . . . . . H21D H 1.021785 0.487194 0.869850 0.058 Uiso 1 1 calc R U . . . H21E H 1.160917 0.481653 0.898062 0.058 Uiso 1 1 calc R U . . . H21F H 1.150881 0.449842 0.850377 0.058 Uiso 1 1 calc R U . . . C22B C 1.1079(4) 0.8306(6) 0.90284(13) 0.0323(10) Uani 1 1 d . . . . . C23B C 1.1937(4) 0.9524(7) 0.92061(14) 0.0447(12) Uani 1 1 d . . . . . H23C H 1.175196 1.019667 0.943363 0.054 Uiso 1 1 calc R U . . . H23D H 1.273311 0.971999 0.910531 0.054 Uiso 1 1 calc R U . . . C24B C 0.9827(4) 0.7979(6) 0.91816(13) 0.0352(11) Uani 1 1 d . . . . . C25B C 0.8642(4) 0.8416(8) 0.97261(15) 0.0514(13) Uani 1 1 d . . . . . H25C H 0.847871 0.708268 0.973924 0.062 Uiso 1 1 calc R U . . . H25D H 0.787983 0.899235 0.955883 0.062 Uiso 1 1 calc R U . . . C26B C 0.8832(5) 0.9204(10) 1.01350(16) 0.0723(19) Uani 1 1 d . . . . . H26D H 0.805140 0.898583 1.026024 0.108 Uiso 1 1 calc R U . . . H26E H 0.898348 1.052508 1.011891 0.108 Uiso 1 1 calc R U . . . H26F H 0.958636 0.862458 1.029848 0.108 Uiso 1 1 calc R U . . . C27B C 0.4688(4) 0.6353(6) 0.53247(14) 0.0335(10) Uani 1 1 d . . . . . C28B C 0.4282(4) 0.5943(7) 0.48913(14) 0.0462(12) Uani 1 1 d . . . . . H28D H 0.388362 0.703594 0.475368 0.069 Uiso 1 1 calc R U . . . H28E H 0.364658 0.493988 0.486282 0.069 Uiso 1 1 calc R U . . . H28F H 0.504524 0.558247 0.477005 0.069 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 O1A 0.0310(16) 0.0454(19) 0.043(2) -0.0031(16) 0.0061(14) 0.0038(15) O2A 0.0313(18) 0.097(3) 0.051(2) 0.001(2) 0.0064(17) -0.0017(19) O3A 0.0291(16) 0.061(2) 0.053(2) -0.0122(18) 0.0101(15) -0.0153(16) O4A 0.0349(16) 0.0411(19) 0.053(2) -0.0078(17) 0.0108(15) -0.0008(15) F1A 0.0292(13) 0.0484(16) 0.0600(18) -0.0029(14) 0.0050(12) 0.0064(12) C1A 0.026(2) 0.032(3) 0.045(3) 0.000(2) 0.0097(19) 0.001(2) C2A 0.024(2) 0.025(2) 0.038(3) 0.000(2) 0.0107(19) 0.0020(18) C3A 0.028(2) 0.029(3) 0.042(3) 0.002(2) 0.013(2) 0.0002(19) C4A 0.030(2) 0.024(2) 0.038(3) -0.001(2) 0.0064(19) -0.0010(19) C5A 0.022(2) 0.029(2) 0.038(3) 0.000(2) 0.0125(19) -0.0012(19) C6A 0.024(2) 0.024(2) 0.039(3) 0.001(2) 0.0092(19) 0.0021(18) C7A 0.030(2) 0.023(2) 0.044(3) 0.001(2) 0.013(2) -0.0046(19) C8A 0.030(2) 0.031(3) 0.040(3) -0.003(2) 0.011(2) -0.006(2) C9A 0.029(2) 0.039(3) 0.038(3) -0.006(2) 0.007(2) 0.003(2) C10A 0.033(2) 0.029(3) 0.047(3) 0.003(2) 0.009(2) 0.003(2) C11A 0.020(2) 0.029(3) 0.044(3) 0.001(2) 0.0127(19) 0.0055(18) C12A 0.027(2) 0.028(3) 0.042(3) 0.010(2) 0.011(2) 0.0052(19) C13A 0.026(2) 0.022(2) 0.047(3) 0.002(2) 0.011(2) 0.0021(19) C14A 0.023(2) 0.022(2) 0.041(3) 0.001(2) 0.0134(19) 0.0002(17) C15A 0.023(2) 0.026(2) 0.043(3) -0.003(2) 0.0117(19) -0.0018(19) C16A 0.033(2) 0.029(3) 0.047(3) 0.000(2) 0.004(2) -0.005(2) C17A 0.039(2) 0.031(3) 0.052(3) -0.004(2) 0.011(2) -0.008(2) C18A 0.027(2) 0.036(3) 0.047(3) 0.004(2) 0.009(2) 0.006(2) C19A 0.028(2) 0.032(2) 0.039(3) -0.003(2) 0.0131(19) 0.0053(19) C20A 0.021(2) 0.043(3) 0.047(3) -0.001(2) 0.004(2) 0.003(2) C21A 0.045(3) 0.038(3) 0.048(3) 0.006(2) 0.002(2) -0.003(2) C22A 0.032(2) 0.034(3) 0.044(3) 0.001(2) 0.007(2) -0.004(2) C23A 0.036(3) 0.054(3) 0.062(3) -0.013(3) 0.002(2) -0.002(2) C24A 0.041(3) 0.042(3) 0.035(3) 0.003(2) 0.004(2) 0.000(2) C25A 0.038(3) 0.047(3) 0.057(3) -0.004(3) 0.011(2) 0.005(2) C26A 0.053(3) 0.058(4) 0.060(3) -0.017(3) 0.015(3) 0.003(3) C27A 0.030(3) 0.034(3) 0.055(3) 0.000(2) 0.004(2) -0.003(2) C28A 0.043(3) 0.049(3) 0.050(3) 0.002(3) 0.000(2) -0.003(2) O1B 0.0334(17) 0.055(2) 0.0397(19) -0.0079(16) 0.0008(15) 0.0151(15) O2B 0.0372(18) 0.085(3) 0.047(2) -0.0129(19) 0.0056(16) 0.0165(18) O3B 0.0334(17) 0.056(2) 0.047(2) -0.0051(17) 0.0126(15) -0.0108(16) O4B 0.0352(17) 0.058(2) 0.043(2) -0.0102(17) 0.0159(15) -0.0052(15) F1B 0.0245(12) 0.0460(16) 0.0472(16) 0.0019(13) 0.0074(11) 0.0007(11) C1B 0.024(2) 0.027(2) 0.040(3) 0.000(2) 0.0113(19) 0.0011(18) C2B 0.021(2) 0.025(2) 0.038(3) 0.002(2) 0.0073(19) 0.0042(18) C3B 0.024(2) 0.028(2) 0.036(3) 0.005(2) 0.0092(19) -0.0004(18) C4B 0.029(2) 0.023(2) 0.039(3) 0.001(2) 0.0092(19) 0.0006(19) C5B 0.0187(19) 0.027(2) 0.039(3) 0.002(2) 0.0072(18) 0.0007(18) C6B 0.022(2) 0.026(2) 0.036(3) 0.000(2) 0.0092(18) 0.0010(18) C7B 0.031(2) 0.028(2) 0.041(3) 0.003(2) 0.008(2) -0.0025(19) C8B 0.028(2) 0.035(3) 0.044(3) -0.002(2) 0.010(2) -0.006(2) C9B 0.028(2) 0.045(3) 0.038(3) -0.006(2) 0.002(2) 0.007(2) C10B 0.037(2) 0.031(3) 0.043(3) 0.006(2) 0.006(2) 0.007(2) C11B 0.023(2) 0.031(3) 0.037(3) 0.003(2) 0.0106(18) 0.0052(19) C12B 0.032(2) 0.027(3) 0.038(3) 0.010(2) 0.011(2) 0.0106(19) C13B 0.026(2) 0.024(2) 0.042(3) 0.002(2) 0.013(2) 0.0022(19) C14B 0.022(2) 0.025(2) 0.037(2) 0.002(2) 0.0082(18) 0.0008(18) C15B 0.023(2) 0.023(2) 0.039(3) 0.003(2) 0.0106(19) 0.0019(18) C16B 0.029(2) 0.021(2) 0.040(3) 0.0034(19) 0.0044(19) 0.0005(18) C17B 0.034(2) 0.029(2) 0.040(3) -0.001(2) 0.009(2) 0.001(2) C18B 0.024(2) 0.029(2) 0.039(3) -0.001(2) 0.0073(19) -0.0008(18) C19B 0.030(2) 0.031(2) 0.042(3) 0.002(2) 0.0102(19) 0.004(2) C20B 0.025(2) 0.034(3) 0.044(3) 0.001(2) 0.009(2) -0.004(2) C21B 0.036(2) 0.037(3) 0.044(3) 0.004(2) 0.009(2) -0.001(2) C22B 0.028(2) 0.032(3) 0.037(3) 0.000(2) 0.007(2) -0.001(2) C23B 0.039(3) 0.050(3) 0.047(3) -0.006(3) 0.015(2) -0.005(2) C24B 0.033(2) 0.041(3) 0.033(3) 0.002(2) 0.009(2) 0.004(2) C25B 0.036(3) 0.068(4) 0.053(3) -0.007(3) 0.017(2) -0.002(3) C26B 0.044(3) 0.126(6) 0.050(3) -0.016(4) 0.017(3) -0.006(3) C27B 0.030(2) 0.027(2) 0.042(3) 0.001(2) 0.001(2) -0.003(2) C28B 0.036(3) 0.049(3) 0.050(3) -0.001(3) -0.003(2) 0.008(2) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag O1A C27A 1.346(5) . ? O1A C9A 1.453(5) . ? O2A C27A 1.196(5) . ? O3A C24A 1.212(5) . ? O4A C24A 1.353(5) . ? O4A C25A 1.453(5) . ? F1A C20A 1.423(5) . ? C1A C20A 1.537(6) . ? C1A C2A 1.541(6) . ? C1A C17A 1.558(6) . ? C2A C18A 1.535(5) . ? C2A C15A 1.544(6) . ? C2A C3A 1.548(5) . ? C3A C4A 1.523(6) . ? C4A C5A 1.535(6) . ? C5A C6A 1.546(6) . ? C5A C14A 1.552(5) . ? C6A C11A 1.529(6) . ? C6A C7A 1.552(5) . ? C6A C19A 1.556(5) . ? C7A C8A 1.526(6) . ? C8A C9A 1.509(6) . ? C9A C10A 1.514(6) . ? C10A C11A 1.513(6) . ? C11A C12A 1.341(6) . ? C12A C13A 1.481(6) . ? C13A C14A 1.517(6) . ? C14A C15A 1.513(6) . ? C15A C16A 1.535(6) . ? C16A C17A 1.542(6) . ? C20A C22A 1.521(6) . ? C20A C21A 1.531(6) . ? C22A C23A 1.331(6) . ? C22A C24A 1.490(6) . ? C25A C26A 1.496(7) . ? C27A C28A 1.488(6) . ? O1B C27B 1.335(5) . ? O1B C9B 1.454(5) . ? O2B C27B 1.202(5) . ? O3B C24B 1.196(5) . ? O4B C24B 1.350(5) . ? O4B C25B 1.454(5) . ? F1B C20B 1.427(4) . ? C1B C20B 1.526(6) . ? C1B C2B 1.552(6) . ? C1B C17B 1.556(6) . ? C2B C3B 1.536(5) . ? C2B C18B 1.539(5) . ? C2B C15B 1.541(6) . ? C3B C4B 1.535(5) . ? C4B C5B 1.531(6) . ? C5B C6B 1.534(6) . ? C5B C14B 1.550(5) . ? C6B C11B 1.530(6) . ? C6B C7B 1.551(5) . ? C6B C19B 1.556(5) . ? C7B C8B 1.529(6) . ? C8B C9B 1.505(6) . ? C9B C10B 1.519(6) . ? C10B C11B 1.505(6) . ? C11B C12B 1.329(6) . ? C12B C13B 1.488(6) . ? C13B C14B 1.518(6) . ? C14B C15B 1.511(6) . ? C15B C16B 1.524(6) . ? C16B C17B 1.530(6) . ? C20B C22B 1.529(6) . ? C20B C21B 1.531(6) . ? C22B C23B 1.332(6) . ? C22B C24B 1.488(6) . ? C25B C26B 1.470(7) . ? C27B C28B 1.478(6) . ? 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 C27A O1A C9A 117.3(3) . . ? C24A O4A C25A 115.4(3) . . ? C20A C1A C2A 120.9(4) . . ? C20A C1A C17A 112.9(3) . . ? C2A C1A C17A 103.7(3) . . ? C18A C2A C1A 112.2(3) . . ? C18A C2A C15A 112.1(3) . . ? C1A C2A C15A 100.1(3) . . ? C18A C2A C3A 109.9(3) . . ? C1A C2A C3A 116.4(3) . . ? C15A C2A C3A 105.6(3) . . ? C4A C3A C2A 111.1(3) . . ? C3A C4A C5A 115.2(3) . . ? C4A C5A C6A 113.6(3) . . ? C4A C5A C14A 112.4(3) . . ? C6A C5A C14A 112.1(3) . . ? C11A C6A C5A 110.3(3) . . ? C11A C6A C7A 108.4(3) . . ? C5A C6A C7A 108.7(3) . . ? C11A C6A C19A 108.1(3) . . ? C5A C6A C19A 112.4(3) . . ? C7A C6A C19A 108.8(3) . . ? C8A C7A C6A 115.6(3) . . ? C9A C8A C7A 109.2(3) . . ? O1A C9A C8A 110.9(3) . . ? O1A C9A C10A 107.5(3) . . ? C8A C9A C10A 110.7(3) . . ? C11A C10A C9A 110.2(3) . . ? C12A C11A C10A 120.6(4) . . ? C12A C11A C6A 122.6(4) . . ? C10A C11A C6A 116.7(4) . . ? C11A C12A C13A 124.8(4) . . ? C12A C13A C14A 113.3(4) . . ? C15A C14A C13A 111.9(3) . . ? C15A C14A C5A 109.8(3) . . ? C13A C14A C5A 109.2(3) . . ? C14A C15A C16A 117.9(3) . . ? C14A C15A C2A 115.5(3) . . ? C16A C15A C2A 103.8(3) . . ? C15A C16A C17A 104.4(3) . . ? C16A C17A C1A 106.3(3) . . ? F1A C20A C22A 104.7(3) . . ? F1A C20A C21A 105.4(3) . . ? C22A C20A C21A 112.0(4) . . ? F1A C20A C1A 108.7(3) . . ? C22A C20A C1A 111.1(4) . . ? C21A C20A C1A 114.3(3) . . ? C23A C22A C24A 120.3(4) . . ? C23A C22A C20A 122.7(4) . . ? C24A C22A C20A 117.0(4) . . ? O3A C24A O4A 122.9(4) . . ? O3A C24A C22A 125.8(4) . . ? O4A C24A C22A 111.3(4) . . ? O4A C25A C26A 107.6(4) . . ? O2A C27A O1A 123.1(4) . . ? O2A C27A C28A 125.7(4) . . ? O1A C27A C28A 111.2(4) . . ? C27B O1B C9B 118.2(3) . . ? C24B O4B C25B 115.4(3) . . ? C20B C1B C2B 120.7(3) . . ? C20B C1B C17B 112.7(3) . . ? C2B C1B C17B 104.6(3) . . ? C3B C2B C18B 110.5(3) . . ? C3B C2B C15B 106.3(3) . . ? C18B C2B C15B 111.9(3) . . ? C3B C2B C1B 115.9(3) . . ? C18B C2B C1B 112.2(3) . . ? C15B C2B C1B 99.5(3) . . ? C4B C3B C2B 111.3(3) . . ? C5B C4B C3B 115.2(3) . . ? C4B C5B C6B 114.7(3) . . ? C4B C5B C14B 111.2(3) . . ? C6B C5B C14B 113.1(3) . . ? C11B C6B C5B 110.8(3) . . ? C11B C6B C7B 109.0(3) . . ? C5B C6B C7B 108.5(3) . . ? C11B C6B C19B 107.4(3) . . ? C5B C6B C19B 112.1(3) . . ? C7B C6B C19B 108.9(3) . . ? C8B C7B C6B 115.4(3) . . ? C9B C8B C7B 109.0(4) . . ? O1B C9B C8B 109.5(4) . . ? O1B C9B C10B 108.6(3) . . ? C8B C9B C10B 110.1(3) . . ? C11B C10B C9B 110.9(3) . . ? C12B C11B C10B 121.0(4) . . ? C12B C11B C6B 122.1(4) . . ? C10B C11B C6B 116.9(4) . . ? C11B C12B C13B 125.7(4) . . ? C12B C13B C14B 113.3(3) . . ? C15B C14B C13B 111.0(3) . . ? C15B C14B C5B 109.7(3) . . ? C13B C14B C5B 110.3(3) . . ? C14B C15B C16B 119.3(3) . . ? C14B C15B C2B 116.3(3) . . ? C16B C15B C2B 104.2(3) . . ? C15B C16B C17B 104.1(3) . . ? C16B C17B C1B 106.4(3) . . ? F1B C20B C1B 107.8(3) . . ? F1B C20B C22B 105.5(3) . . ? C1B C20B C22B 110.9(3) . . ? F1B C20B C21B 105.0(3) . . ? C1B C20B C21B 115.8(4) . . ? C22B C20B C21B 111.1(4) . . ? C23B C22B C24B 120.8(4) . . ? C23B C22B C20B 122.4(4) . . ? C24B C22B C20B 116.8(4) . . ? O3B C24B O4B 122.4(4) . . ? O3B C24B C22B 125.4(4) . . ? O4B C24B C22B 112.2(4) . . ? O4B C25B C26B 108.4(4) . . ? O2B C27B O1B 123.2(4) . . ? O2B C27B C28B 125.2(4) . . ? O1B C27B C28B 111.7(4) . . ? 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 C20A C1A C2A C18A -50.1(5) . . . . ? C17A C1A C2A C18A 77.7(4) . . . . ? C20A C1A C2A C15A -169.2(3) . . . . ? C17A C1A C2A C15A -41.3(4) . . . . ? C20A C1A C2A C3A 77.7(4) . . . . ? C17A C1A C2A C3A -154.5(3) . . . . ? C18A C2A C3A C4A -63.7(4) . . . . ? C1A C2A C3A C4A 167.4(3) . . . . ? C15A C2A C3A C4A 57.4(4) . . . . ? C2A C3A C4A C5A -54.2(4) . . . . ? C3A C4A C5A C6A 176.0(3) . . . . ? C3A C4A C5A C14A 47.3(5) . . . . ? C4A C5A C6A C11A -173.6(3) . . . . ? C14A C5A C6A C11A -44.8(4) . . . . ? C4A C5A C6A C7A 67.6(4) . . . . ? C14A C5A C6A C7A -163.5(3) . . . . ? C4A C5A C6A C19A -52.9(4) . . . . ? C14A C5A C6A C19A 76.0(4) . . . . ? C11A C6A C7A C8A 47.1(5) . . . . ? C5A C6A C7A C8A 167.0(3) . . . . ? C19A C6A C7A C8A -70.3(4) . . . . ? C6A C7A C8A C9A -55.6(5) . . . . ? C27A O1A C9A C8A 94.2(4) . . . . ? C27A O1A C9A C10A -144.6(4) . . . . ? C7A C8A C9A O1A 179.1(3) . . . . ? C7A C8A C9A C10A 59.9(4) . . . . ? O1A C9A C10A C11A -180.0(3) . . . . ? C8A C9A C10A C11A -58.7(5) . . . . ? C9A C10A C11A C12A -125.0(4) . . . . ? C9A C10A C11A C6A 53.1(4) . . . . ? C5A C6A C11A C12A 13.3(5) . . . . ? C7A C6A C11A C12A 132.2(4) . . . . ? C19A C6A C11A C12A -109.9(4) . . . . ? C5A C6A C11A C10A -164.8(3) . . . . ? C7A C6A C11A C10A -45.9(4) . . . . ? C19A C6A C11A C10A 72.0(4) . . . . ? C10A C11A C12A C13A -179.5(3) . . . . ? C6A C11A C12A C13A 2.4(6) . . . . ? C11A C12A C13A C14A 14.1(5) . . . . ? C12A C13A C14A C15A -166.1(3) . . . . ? C12A C13A C14A C5A -44.3(4) . . . . ? C4A C5A C14A C15A -46.0(4) . . . . ? C6A C5A C14A C15A -175.5(3) . . . . ? C4A C5A C14A C13A -169.1(3) . . . . ? C6A C5A C14A C13A 61.5(4) . . . . ? C13A C14A C15A C16A -58.6(4) . . . . ? C5A C14A C15A C16A 180.0(3) . . . . ? C13A C14A C15A C2A 178.0(3) . . . . ? C5A C14A C15A C2A 56.6(4) . . . . ? C18A C2A C15A C14A 57.8(4) . . . . ? C1A C2A C15A C14A 176.9(3) . . . . ? C3A C2A C15A C14A -61.8(4) . . . . ? C18A C2A C15A C16A -72.7(4) . . . . ? C1A C2A C15A C16A 46.4(4) . . . . ? C3A C2A C15A C16A 167.6(3) . . . . ? C14A C15A C16A C17A -162.2(3) . . . . ? C2A C15A C16A C17A -33.1(4) . . . . ? C15A C16A C17A C1A 6.8(4) . . . . ? C20A C1A C17A C16A 154.4(4) . . . . ? C2A C1A C17A C16A 21.9(4) . . . . ? C2A C1A C20A F1A 60.9(5) . . . . ? C17A C1A C20A F1A -62.6(4) . . . . ? C2A C1A C20A C22A 175.6(3) . . . . ? C17A C1A C20A C22A 52.1(5) . . . . ? C2A C1A C20A C21A -56.4(5) . . . . ? C17A C1A C20A C21A -180.0(4) . . . . ? F1A C20A C22A C23A -8.4(6) . . . . ? C21A C20A C22A C23A 105.3(5) . . . . ? C1A C20A C22A C23A -125.5(5) . . . . ? F1A C20A C22A C24A 172.4(4) . . . . ? C21A C20A C22A C24A -73.9(5) . . . . ? C1A C20A C22A C24A 55.3(5) . . . . ? C25A O4A C24A O3A -2.5(6) . . . . ? C25A O4A C24A C22A 177.6(4) . . . . ? C23A C22A C24A O3A -154.2(5) . . . . ? C20A C22A C24A O3A 25.0(7) . . . . ? C23A C22A C24A O4A 25.7(6) . . . . ? C20A C22A C24A O4A -155.1(4) . . . . ? C24A O4A C25A C26A 172.7(4) . . . . ? C9A O1A C27A O2A -0.8(6) . . . . ? C9A O1A C27A C28A 178.3(4) . . . . ? C20B C1B C2B C3B 80.3(4) . . . . ? C17B C1B C2B C3B -151.6(3) . . . . ? C20B C1B C2B C18B -47.8(5) . . . . ? C17B C1B C2B C18B 80.3(4) . . . . ? C20B C1B C2B C15B -166.2(3) . . . . ? C17B C1B C2B C15B -38.1(3) . . . . ? C18B C2B C3B C4B -66.6(4) . . . . ? C15B C2B C3B C4B 55.0(4) . . . . ? C1B C2B C3B C4B 164.4(3) . . . . ? C2B C3B C4B C5B -54.6(4) . . . . ? C3B C4B C5B C6B 179.9(3) . . . . ? C3B C4B C5B C14B 49.9(4) . . . . ? C4B C5B C6B C11B -173.5(3) . . . . ? C14B C5B C6B C11B -44.5(4) . . . . ? C4B C5B C6B C7B 66.9(4) . . . . ? C14B C5B C6B C7B -164.1(3) . . . . ? C4B C5B C6B C19B -53.5(4) . . . . ? C14B C5B C6B C19B 75.6(4) . . . . ? C11B C6B C7B C8B 46.0(5) . . . . ? C5B C6B C7B C8B 166.8(3) . . . . ? C19B C6B C7B C8B -70.9(4) . . . . ? C6B C7B C8B C9B -56.1(5) . . . . ? C27B O1B C9B C8B 121.4(4) . . . . ? C27B O1B C9B C10B -118.3(4) . . . . ? C7B C8B C9B O1B -180.0(3) . . . . ? C7B C8B C9B C10B 60.7(4) . . . . ? O1B C9B C10B C11B -178.7(3) . . . . ? C8B C9B C10B C11B -58.9(5) . . . . ? C9B C10B C11B C12B -127.3(4) . . . . ? C9B C10B C11B C6B 51.6(5) . . . . ? C5B C6B C11B C12B 15.6(5) . . . . ? C7B C6B C11B C12B 135.0(4) . . . . ? C19B C6B C11B C12B -107.2(4) . . . . ? C5B C6B C11B C10B -163.2(3) . . . . ? C7B C6B C11B C10B -43.8(4) . . . . ? C19B C6B C11B C10B 74.0(4) . . . . ? C10B C11B C12B C13B 179.0(3) . . . . ? C6B C11B C12B C13B 0.2(6) . . . . ? C11B C12B C13B C14B 13.0(6) . . . . ? C12B C13B C14B C15B -162.3(3) . . . . ? C12B C13B C14B C5B -40.5(4) . . . . ? C4B C5B C14B C15B -48.4(4) . . . . ? C6B C5B C14B C15B -179.2(3) . . . . ? C4B C5B C14B C13B -171.0(3) . . . . ? C6B C5B C14B C13B 58.2(4) . . . . ? C13B C14B C15B C16B -54.9(4) . . . . ? C5B C14B C15B C16B -177.0(3) . . . . ? C13B C14B C15B C2B 178.9(3) . . . . ? C5B C14B C15B C2B 56.8(4) . . . . ? C3B C2B C15B C14B -59.6(4) . . . . ? C18B C2B C15B C14B 61.1(4) . . . . ? C1B C2B C15B C14B 179.7(3) . . . . ? C3B C2B C15B C16B 166.9(3) . . . . ? C18B C2B C15B C16B -72.3(4) . . . . ? C1B C2B C15B C16B 46.3(3) . . . . ? C14B C15B C16B C17B -168.3(3) . . . . ? C2B C15B C16B C17B -36.5(4) . . . . ? C15B C16B C17B C1B 11.7(4) . . . . ? C20B C1B C17B C16B 149.8(3) . . . . ? C2B C1B C17B C16B 17.0(4) . . . . ? C2B C1B C20B F1B 70.0(4) . . . . ? C17B C1B C20B F1B -54.4(4) . . . . ? C2B C1B C20B C22B -175.0(3) . . . . ? C17B C1B C20B C22B 60.6(4) . . . . ? C2B C1B C20B C21B -47.2(5) . . . . ? C17B C1B C20B C21B -171.6(3) . . . . ? F1B C20B C22B C23B 14.3(5) . . . . ? C1B C20B C22B C23B -102.2(5) . . . . ? C21B C20B C22B C23B 127.5(4) . . . . ? F1B C20B C22B C24B -167.8(3) . . . . ? C1B C20B C22B C24B 75.7(4) . . . . ? C21B C20B C22B C24B -54.6(5) . . . . ? C25B O4B C24B O3B 2.8(6) . . . . ? C25B O4B C24B C22B -177.2(4) . . . . ? C23B C22B C24B O3B 167.8(4) . . . . ? C20B C22B C24B O3B -10.1(6) . . . . ? C23B C22B C24B O4B -12.2(6) . . . . ? C20B C22B C24B O4B 169.9(4) . . . . ? C24B O4B C25B C26B 175.1(4) . . . . ? C9B O1B C27B O2B 0.3(6) . . . . ? C9B O1B C27B C28B -179.4(4) . . . . ? _refine_diff_density_max 0.260 _refine_diff_density_min -0.228 _refine_diff_density_rms 0.047 _shelx_res_file ; TITL shelxt_a.res in P2(1) jly-2021-02.res created by SHELXL-2018/3 at 09:14:52 on 23-Jun-2021 CELL 0.71073 10.3779 7.2974 33.4698 90.000 98.797 90.000 ZERR 4.000 0.0006 0.0004 0.0025 0.000 0.006 0.000 LATT -1 SYMM -X, 1/2+Y, -Z SFAC C H O F UNIT 112 164 16 4 L.S. 16 BOND LIST 4 acta conf FMAP 2 PLAN 40 omit -3 0 31 temp -173 size 0.15 0.05 0.03 WGHT 0.064600 FVAR 0.27895 O1A 3 0.106989 0.140875 0.541016 11.00000 0.03099 0.04535 = 0.04314 -0.00306 0.00610 0.00377 O2A 3 -0.099188 0.153133 0.552809 11.00000 0.03130 0.09680 = 0.05120 0.00088 0.00637 -0.00173 O3A 3 0.426910 0.280932 0.905707 11.00000 0.02912 0.06140 = 0.05336 -0.01223 0.01006 -0.01532 O4A 3 0.559734 0.498519 0.937131 11.00000 0.03490 0.04113 = 0.05326 -0.00775 0.01084 -0.00084 F1A 4 0.771391 0.124013 0.856547 11.00000 0.02921 0.04836 = 0.06001 -0.00287 0.00497 0.00642 C1A 1 0.567028 0.259881 0.827703 11.00000 0.02552 0.03218 = 0.04477 -0.00043 0.00973 0.00051 AFIX 13 H1A 2 0.477585 0.281831 0.834354 11.00000 -1.20000 AFIX 0 C2A 1 0.547796 0.176405 0.784897 11.00000 0.02428 0.02469 = 0.03797 0.00040 0.01067 0.00203 C3A 1 0.440941 0.027744 0.775889 11.00000 0.02751 0.02893 = 0.04186 0.00242 0.01272 0.00019 AFIX 23 H3AA 2 0.470505 -0.086020 0.790618 11.00000 -1.20000 H3AB 2 0.360562 0.069944 0.785628 11.00000 -1.20000 AFIX 0 C4A 1 0.411075 -0.012523 0.730773 11.00000 0.02987 0.02395 = 0.03826 -0.00062 0.00637 -0.00101 AFIX 23 H4AA 2 0.338162 -0.101261 0.726126 11.00000 -1.20000 H4AB 2 0.488291 -0.072089 0.722334 11.00000 -1.20000 AFIX 0 C5A 1 0.374922 0.155186 0.703668 11.00000 0.02182 0.02942 = 0.03812 -0.00019 0.01251 -0.00125 AFIX 13 H5A 2 0.288433 0.198024 0.709720 11.00000 -1.20000 AFIX 0 C6A 1 0.354629 0.110692 0.657988 11.00000 0.02365 0.02405 = 0.03889 0.00114 0.00915 0.00206 C7A 1 0.230770 -0.009781 0.647749 11.00000 0.03008 0.02333 = 0.04352 0.00068 0.01289 -0.00456 AFIX 23 H7AA 2 0.250247 -0.133092 0.659465 11.00000 -1.20000 H7AB 2 0.160861 0.043917 0.661136 11.00000 -1.20000 AFIX 0 C8A 1 0.179028 -0.031564 0.602827 11.00000 0.02958 0.03141 = 0.04041 -0.00327 0.01122 -0.00613 AFIX 23 H8AA 2 0.243387 -0.098582 0.589372 11.00000 -1.20000 H8AB 2 0.096949 -0.102949 0.599286 11.00000 -1.20000 AFIX 0 C9A 1 0.154570 0.155556 0.584024 11.00000 0.02899 0.03948 = 0.03794 -0.00607 0.00705 0.00291 AFIX 13 H9A 2 0.088408 0.221330 0.597501 11.00000 -1.20000 AFIX 0 C10A 1 0.279230 0.266580 0.588841 11.00000 0.03293 0.02857 = 0.04667 0.00272 0.00931 0.00296 AFIX 23 H10A 2 0.343891 0.204699 0.574578 11.00000 -1.20000 H10B 2 0.261254 0.389200 0.576595 11.00000 -1.20000 AFIX 0 C11A 1 0.334244 0.287024 0.633159 11.00000 0.02028 0.02930 = 0.04391 0.00115 0.01268 0.00551 C12A 1 0.359596 0.453408 0.649459 11.00000 0.02686 0.02809 = 0.04190 0.00950 0.01070 0.00525 AFIX 43 H12A 2 0.341169 0.556736 0.632269 11.00000 -1.20000 AFIX 0 C13A 1 0.414255 0.487873 0.692328 11.00000 0.02558 0.02184 = 0.04680 0.00198 0.01109 0.00209 AFIX 23 H13A 2 0.344710 0.537980 0.706393 11.00000 -1.20000 H13B 2 0.483658 0.581662 0.693500 11.00000 -1.20000 AFIX 0 C14A 1 0.470409 0.317583 0.714444 11.00000 0.02276 0.02175 = 0.04091 0.00126 0.01343 0.00020 AFIX 13 H14A 2 0.555055 0.287354 0.705173 11.00000 -1.20000 AFIX 0 C15A 1 0.494953 0.345295 0.759787 11.00000 0.02255 0.02594 = 0.04310 -0.00279 0.01167 -0.00179 AFIX 13 H15A 2 0.408425 0.374402 0.767907 11.00000 -1.20000 AFIX 0 C16A 1 0.587458 0.500339 0.776671 11.00000 0.03322 0.02918 = 0.04703 -0.00031 0.00406 -0.00538 AFIX 23 H16A 2 0.542904 0.620552 0.773311 11.00000 -1.20000 H16B 2 0.665286 0.503857 0.762881 11.00000 -1.20000 AFIX 0 C17A 1 0.625736 0.452815 0.821821 11.00000 0.03919 0.03081 = 0.05197 -0.00401 0.01135 -0.00760 AFIX 23 H17A 2 0.589808 0.544692 0.838890 11.00000 -1.20000 H17B 2 0.721782 0.450383 0.829287 11.00000 -1.20000 AFIX 0 C18A 1 0.676182 0.106119 0.773084 11.00000 0.02688 0.03602 = 0.04727 0.00389 0.00862 0.00565 AFIX 137 H18A 2 0.664185 0.081926 0.743950 11.00000 -1.50000 H18B 2 0.702008 -0.007260 0.787860 11.00000 -1.50000 H18C 2 0.744327 0.198815 0.779901 11.00000 -1.50000 AFIX 0 C19A 1 0.472669 0.006506 0.645201 11.00000 0.02769 0.03211 = 0.03871 -0.00256 0.01309 0.00535 AFIX 137 H19A 2 0.461187 -0.003211 0.615666 11.00000 -1.50000 H19B 2 0.477914 -0.116534 0.657073 11.00000 -1.50000 H19C 2 0.553233 0.073659 0.654813 11.00000 -1.50000 AFIX 0 C20A 1 0.641614 0.155034 0.863840 11.00000 0.02084 0.04321 = 0.04728 -0.00053 0.00350 0.00308 C21A 1 0.586494 -0.035307 0.870484 11.00000 0.04533 0.03788 = 0.04818 0.00638 0.00202 -0.00322 AFIX 137 H21A 2 0.494013 -0.024611 0.873086 11.00000 -1.50000 H21B 2 0.634345 -0.089032 0.895228 11.00000 -1.50000 H21C 2 0.595850 -0.114091 0.847389 11.00000 -1.50000 AFIX 0 C22A 1 0.656793 0.270823 0.902043 11.00000 0.03194 0.03430 = 0.04399 0.00076 0.00718 -0.00417 C23A 1 0.772045 0.304159 0.924300 11.00000 0.03583 0.05356 = 0.06163 -0.01322 0.00226 -0.00209 AFIX 93 H23A 2 0.777023 0.375884 0.948174 11.00000 -1.20000 H23B 2 0.849312 0.256222 0.916309 11.00000 -1.20000 AFIX 0 C24A 1 0.535222 0.345523 0.914380 11.00000 0.04116 0.04192 = 0.03513 0.00328 0.00442 -0.00032 C25A 1 0.446048 0.585944 0.949268 11.00000 0.03768 0.04742 = 0.05705 -0.00391 0.01133 0.00488 AFIX 23 H25A 2 0.394864 0.495609 0.962365 11.00000 -1.20000 H25B 2 0.389535 0.636983 0.925347 11.00000 -1.20000 AFIX 0 C26A 1 0.493415 0.735943 0.978288 11.00000 0.05267 0.05767 = 0.06030 -0.01747 0.01511 0.00295 AFIX 137 H26A 2 0.418598 0.797908 0.986956 11.00000 -1.50000 H26B 2 0.543951 0.824417 0.965018 11.00000 -1.50000 H26C 2 0.548731 0.683785 1.001904 11.00000 -1.50000 AFIX 0 C27A 1 -0.023027 0.142385 0.529445 11.00000 0.02959 0.03400 = 0.05496 0.00033 0.00388 -0.00262 C28A 1 -0.057040 0.131907 0.484665 11.00000 0.04336 0.04882 = 0.04975 0.00236 0.00024 -0.00310 AFIX 137 H28A 2 -0.133886 0.208011 0.475774 11.00000 -1.50000 H28B 2 -0.076102 0.004491 0.476588 11.00000 -1.50000 H28C 2 0.016473 0.176320 0.472146 11.00000 -1.50000 AFIX 0 O1B 3 0.591151 0.581402 0.545241 11.00000 0.03343 0.05520 = 0.03974 -0.00786 0.00077 0.01515 O2B 3 0.401560 0.707358 0.554138 11.00000 0.03717 0.08485 = 0.04693 -0.01285 0.00561 0.01648 O3B 3 0.892040 0.713790 0.900830 11.00000 0.03344 0.05590 = 0.04690 -0.00505 0.01262 -0.01078 O4B 3 0.981260 0.874973 0.954763 11.00000 0.03520 0.05848 = 0.04314 -0.01018 0.01585 -0.00519 F1B 4 1.264674 0.747709 0.862180 11.00000 0.02451 0.04605 = 0.04720 0.00188 0.00738 0.00074 C1B 1 1.049914 0.803459 0.827282 11.00000 0.02421 0.02672 = 0.04001 -0.00002 0.01126 0.00110 AFIX 13 H1B 2 0.957580 0.805377 0.832495 11.00000 -1.20000 AFIX 0 C2B 1 1.046973 0.708705 0.785647 11.00000 0.02108 0.02508 = 0.03753 0.00192 0.00727 0.00415 C3B 1 0.954913 0.543576 0.777451 11.00000 0.02422 0.02816 = 0.03645 0.00451 0.00922 -0.00037 AFIX 23 H3BA 2 0.993426 0.436963 0.793253 11.00000 -1.20000 H3BB 2 0.870674 0.572618 0.786438 11.00000 -1.20000 AFIX 0 C4B 1 0.931005 0.494063 0.732335 11.00000 0.02880 0.02281 = 0.03909 0.00065 0.00916 0.00062 AFIX 23 H4BA 2 1.013649 0.448065 0.724720 11.00000 -1.20000 H4BB 2 0.866935 0.392710 0.728214 11.00000 -1.20000 AFIX 0 C5B 1 0.881129 0.651218 0.703798 11.00000 0.01868 0.02673 = 0.03922 0.00210 0.00722 0.00074 AFIX 13 H5B 2 0.793470 0.683996 0.710601 11.00000 -1.20000 AFIX 0 C6B 1 0.857886 0.600165 0.658823 11.00000 0.02170 0.02576 = 0.03572 0.00022 0.00925 0.00101 C7B 1 0.742847 0.462506 0.651310 11.00000 0.03109 0.02783 = 0.04103 0.00268 0.00790 -0.00254 AFIX 23 H7BA 2 0.772763 0.343510 0.663580 11.00000 -1.20000 H7BB 2 0.672116 0.507526 0.665529 11.00000 -1.20000 AFIX 0 C8B 1 0.686376 0.430003 0.606945 11.00000 0.02814 0.03534 = 0.04439 -0.00207 0.00990 -0.00603 AFIX 23 H8BA 2 0.752861 0.372073 0.592767 11.00000 -1.20000 H8BB 2 0.610419 0.346657 0.605072 11.00000 -1.20000 AFIX 0 C9B 1 0.645064 0.610849 0.587460 11.00000 0.02830 0.04462 = 0.03763 -0.00639 0.00182 0.00690 AFIX 13 H9B 2 0.577566 0.668418 0.601791 11.00000 -1.20000 AFIX 0 C10B 1 0.761752 0.738014 0.589449 11.00000 0.03662 0.03131 = 0.04260 0.00605 0.00604 0.00685 AFIX 23 H10C 2 0.826752 0.683428 0.574186 11.00000 -1.20000 H10D 2 0.733421 0.856640 0.576678 11.00000 -1.20000 AFIX 0 C11B 1 0.823565 0.770035 0.632571 11.00000 0.02251 0.03077 = 0.03652 0.00300 0.01062 0.00524 C12B 1 0.844788 0.938796 0.646996 11.00000 0.03235 0.02693 = 0.03849 0.01046 0.01086 0.01061 AFIX 43 H12B 2 0.820578 1.037314 0.628841 11.00000 -1.20000 AFIX 0 C13B 1 0.903138 0.987025 0.689081 11.00000 0.02599 0.02403 = 0.04202 0.00215 0.01262 0.00217 AFIX 23 H13C 2 0.834214 1.037964 0.703292 11.00000 -1.20000 H13D 2 0.969573 1.083683 0.688184 11.00000 -1.20000 AFIX 0 C14B 1 0.966215 0.825137 0.712969 11.00000 0.02190 0.02454 = 0.03672 0.00199 0.00822 0.00080 AFIX 13 H14B 2 1.053295 0.802126 0.704628 11.00000 -1.20000 AFIX 0 C15B 1 0.985788 0.864019 0.757822 11.00000 0.02315 0.02273 = 0.03889 0.00314 0.01058 0.00194 AFIX 13 H15B 2 0.896095 0.880857 0.764698 11.00000 -1.20000 AFIX 0 C16B 1 1.061150 1.034558 0.773964 11.00000 0.02877 0.02122 = 0.04001 0.00335 0.00438 0.00054 AFIX 23 H16C 2 1.009067 1.146705 0.766769 11.00000 -1.20000 H16D 2 1.144315 1.044372 0.763044 11.00000 -1.20000 AFIX 0 C17B 1 1.085980 1.006289 0.819807 11.00000 0.03390 0.02875 = 0.04005 -0.00116 0.00871 0.00053 AFIX 23 H17C 2 1.031213 1.090604 0.833190 11.00000 -1.20000 H17D 2 1.178700 1.029728 0.830654 11.00000 -1.20000 AFIX 0 C18B 1 1.184481 0.658700 0.777303 11.00000 0.02371 0.02863 = 0.03919 -0.00060 0.00731 -0.00083 AFIX 137 H18D 2 1.180888 0.628695 0.748614 11.00000 -1.50000 H18E 2 1.216918 0.552592 0.793785 11.00000 -1.50000 H18F 2 1.243180 0.762978 0.784197 11.00000 -1.50000 AFIX 0 C19B 1 0.980167 0.510874 0.645176 11.00000 0.03038 0.03099 = 0.04223 0.00248 0.01016 0.00425 AFIX 137 H19D 2 0.964807 0.493715 0.615791 11.00000 -1.50000 H19E 2 0.996861 0.391771 0.658490 11.00000 -1.50000 H19F 2 1.055850 0.590897 0.652650 11.00000 -1.50000 AFIX 0 C20B 1 1.130127 0.723123 0.865267 11.00000 0.02453 0.03372 = 0.04396 0.00096 0.00872 -0.00377 C21B 1 1.114523 0.516898 0.871445 11.00000 0.03614 0.03694 = 0.04421 0.00396 0.00874 -0.00084 AFIX 137 H21D 2 1.021785 0.487194 0.869850 11.00000 -1.50000 H21E 2 1.160917 0.481653 0.898062 11.00000 -1.50000 H21F 2 1.150881 0.449842 0.850377 11.00000 -1.50000 AFIX 0 C22B 1 1.107947 0.830578 0.902837 11.00000 0.02837 0.03211 = 0.03722 0.00024 0.00711 -0.00109 C23B 1 1.193676 0.952387 0.920609 11.00000 0.03926 0.05048 = 0.04710 -0.00569 0.01536 -0.00485 AFIX 93 H23C 2 1.175196 1.019667 0.943363 11.00000 -1.20000 H23D 2 1.273311 0.971999 0.910531 11.00000 -1.20000 AFIX 0 C24B 1 0.982709 0.797890 0.918161 11.00000 0.03251 0.04091 = 0.03350 0.00186 0.00907 0.00395 C25B 1 0.864193 0.841635 0.972606 11.00000 0.03567 0.06836 = 0.05341 -0.00732 0.01727 -0.00183 AFIX 23 H25C 2 0.847871 0.708268 0.973924 11.00000 -1.20000 H25D 2 0.787983 0.899235 0.955883 11.00000 -1.20000 AFIX 0 C26B 1 0.883159 0.920351 1.013498 11.00000 0.04418 0.12580 = 0.04999 -0.01561 0.01722 -0.00575 AFIX 137 H26D 2 0.805140 0.898583 1.026024 11.00000 -1.50000 H26E 2 0.898348 1.052508 1.011891 11.00000 -1.50000 H26F 2 0.958636 0.862458 1.029848 11.00000 -1.50000 AFIX 0 C27B 1 0.468811 0.635286 0.532471 11.00000 0.02995 0.02714 = 0.04207 0.00062 0.00106 -0.00271 C28B 1 0.428165 0.594329 0.489131 11.00000 0.03617 0.04945 = 0.04996 -0.00052 -0.00323 0.00775 AFIX 137 H28D 2 0.388362 0.703594 0.475368 11.00000 -1.50000 H28E 2 0.364658 0.493988 0.486282 11.00000 -1.50000 H28F 2 0.504524 0.558247 0.477005 11.00000 -1.50000 AFIX 0 HKLF 4 REM shelxt_a.res in P2(1) REM wR2 = 0.127904, GooF = S = 0.96559, Restrained GooF = 0.96553 for all data REM R1 = 0.053510 for 5410 Fo > 4sig(Fo) and 0.094214 for all 8152 data REM 605 parameters refined using 1 restraints END WGHT 0.0646 0.0000 REM Highest difference peak 0.260, deepest hole -0.228, 1-sigma level 0.047 Q1 1 1.0847 0.7191 0.8111 11.00000 0.05 0.26 Q2 1 1.1020 1.0180 0.7976 11.00000 0.05 0.23 Q3 1 0.7208 0.1681 0.8880 11.00000 0.05 0.22 Q4 1 0.5149 0.3334 0.7374 11.00000 0.05 0.22 Q5 1 -0.0780 0.2581 0.5395 11.00000 0.05 0.22 Q6 1 0.6102 0.1752 0.8108 11.00000 0.05 0.21 Q7 1 1.1311 1.0344 0.8332 11.00000 0.05 0.21 Q8 1 0.6841 0.1109 0.8308 11.00000 0.05 0.20 Q9 1 -0.1374 0.0771 0.4782 11.00000 0.05 0.19 Q10 1 1.2562 0.7577 0.8307 11.00000 0.05 0.19 Q11 1 0.6102 0.2574 0.8781 11.00000 0.05 0.19 Q12 1 0.3727 0.1279 0.6825 11.00000 0.05 0.19 Q13 1 0.3095 0.6206 0.4873 11.00000 0.05 0.18 Q14 1 0.6706 0.6092 0.5633 11.00000 0.05 0.18 Q15 1 0.9549 0.8496 0.7354 11.00000 0.05 0.18 Q16 1 0.4233 0.2580 0.9476 11.00000 0.05 0.18 Q17 1 -0.0804 0.1020 0.5413 11.00000 0.05 0.18 Q18 1 0.9886 0.8263 0.7384 11.00000 0.05 0.18 Q19 1 0.9008 0.5348 0.7545 11.00000 0.05 0.17 Q20 1 0.8901 0.6234 0.6815 11.00000 0.05 0.17 Q21 1 1.1628 0.8722 0.9563 11.00000 0.05 0.17 Q22 1 0.5061 0.2626 0.8335 11.00000 0.05 0.17 Q23 1 0.1681 0.1640 0.5585 11.00000 0.05 0.17 Q24 1 0.1863 -0.0195 0.6259 11.00000 0.05 0.17 Q25 1 0.8051 0.6501 0.6840 11.00000 0.05 0.17 Q26 1 0.4243 0.1083 0.6772 11.00000 0.05 0.17 Q27 1 0.8526 0.9636 0.6711 11.00000 0.05 0.17 Q28 1 0.9410 0.9483 0.9843 11.00000 0.05 0.17 Q29 1 0.8247 0.7464 0.6066 11.00000 0.05 0.17 Q30 1 0.4351 0.0558 0.7101 11.00000 0.05 0.17 Q31 1 1.0130 0.8065 0.6894 11.00000 0.05 0.16 Q32 1 0.9958 0.8285 0.7100 11.00000 0.05 0.16 Q33 1 0.3449 0.5954 0.4803 11.00000 0.05 0.16 Q34 1 1.0289 0.7877 0.8354 11.00000 0.05 0.16 Q35 1 0.4379 0.7036 0.5783 11.00000 0.05 0.16 Q36 1 1.0724 0.9176 0.8242 11.00000 0.05 0.16 Q37 1 0.2999 0.1517 0.6835 11.00000 0.05 0.16 Q38 1 0.4431 0.0034 0.7531 11.00000 0.05 0.16 Q39 1 0.0377 0.1605 0.5350 11.00000 0.05 0.16 Q40 1 0.8618 1.0001 0.7068 11.00000 0.05 0.16 ; _shelx_res_checksum 52677 _shelx_hkl_file ; 0 0 4 130.670 6.08243 2 0 0 5 23.1630 1.24163 2 0 0 6 115.752 5.36513 2 0 0 -6 111.858 5.37968 2 0 0 7 242.791 11.1013 2 0 0 -7 233.881 11.1136 2 0 0 8 8.79068 0.84729 2 0 0 -8 7.31994 0.97410 2 0 0 9 281.682 13.3146 2 0 0 -9 291.629 13.3408 2 0 0 10 111.843 5.46366 2 0 0 -10 119.353 5.52263 2 0 0 11 0.36648 0.77077 2 0 0 -11-1.42175 0.99746 2 0 0 12 71.9360 3.49521 2 0 0 -12 69.2020 3.55485 2 0 0 13 113.223 5.48566 2 0 0 -13 116.003 5.54699 2 0 0 14 256.960 12.2714 2 0 0 -14 269.873 12.3416 2 0 0 15 36.5476 2.07893 2 0 0 -15 37.8969 2.26335 2 0 0 16 821.782 37.5553 2 0 0 -16 796.852 37.6035 2 0 0 17 229.084 10.8567 2 0 0 -17 232.373 10.9362 2 0 0 18 28.0743 1.78112 2 0 0 -18 27.6221 1.96850 2 0 0 19 183.223 8.72018 2 0 0 -19 184.213 8.81773 2 0 0 20 10.3262 1.18528 2 0 0 -20 9.05772 1.43061 2 0 0 21 33.9622 2.06271 2 0 0 -21 35.1626 2.30052 2 0 0 22 284.738 13.3773 2 0 0 -22 283.433 13.4811 2 0 0 23 123.605 6.19885 2 0 0 -23 132.397 6.37917 2 0 0 -24 9.32727 1.62562 2 0 0 24 3.33873 1.32245 2 0 0 25 113.061 5.70708 2 0 0 -25 117.984 5.89973 2 0 0 26 29.9637 2.07131 2 0 0 27 3.58096 1.35456 2 0 0 28 1.30469 1.34560 2 0 0 -28 2.12915 1.38888 1 0 0 29 17.5375 1.79735 2 0 0 -29 21.5827 1.85108 1 0 0 30 5.11070 1.45834 2 0 0 -30 6.81020 1.58324 1 0 0 -31 7.11571 1.69706 1 0 0 31 6.34372 1.51114 2 0 0 32 3.36606 1.52432 2 0 0 33 9.94325 1.61730 2 0 0 34-1.10068 1.56043 2 0 0 35 3.65396 1.60694 2 0 0 36 1.31048 1.59935 2 0 0 37 0.53310 1.62649 2 0 0 38 1.90862 1.67572 2 0 0 39-0.92323 1.68707 2 0 0 40-0.49561 1.77658 2 0 0 41 14.2684 2.09210 2 0 -1 0-1.06477 0.57528 4 0 1 1 15.9408 0.90025 2 0 -1 1 16.9060 1.03142 4 0 1 2 48.0727 2.31669 3 0 1 2 45.2450 2.23203 2 0 1 3 34.3825 1.92521 3 0 -1 -3 38.8143 1.93487 3 0 -1 -3 36.6257 1.87248 2 0 1 3 36.0821 1.86804 2 0 1 3 39.0924 1.88673 1 0 -1 -4 63.7693 3.04123 1 0 -1 -4 63.2003 3.09520 3 0 1 4 59.6931 3.08506 3 0 1 4 65.7201 3.04031 1 0 -1 -4 59.9419 3.05942 2 0 -1 5 46.5445 2.23165 2 0 1 -5 37.8706 2.27627 2 0 -1 -5 47.7686 2.40176 3 0 -1 -5 51.3772 2.32511 1 0 1 5 54.0815 2.35140 1 0 -1 -5 46.1887 2.38560 2 0 -1 -6 24.3206 1.55863 2 0 1 -6 26.2328 1.42333 2 0 -1 -6 24.2457 1.54828 3 0 -1 -6 26.2862 1.45475 1 0 1 6 30.9823 1.46393 1 0 -1 6 26.6757 1.36955 2 0 -1 -7 16.9519 1.39205 2 0 -1 7 20.7863 1.18150 2 0 1 -7 20.7554 1.22434 2 0 -1 -7 22.3794 1.23689 1 0 1 7 24.1305 1.26187 1 0 -1 8 41.3310 2.02173 2 0 1 -8 40.8432 2.07808 2 0 -1 -8 38.8749 2.06163 1 0 1 8 41.2752 2.05881 1 0 -1 9 85.3690 4.04776 2 0 1 -9 84.0264 4.08727 2 0 -1 -9 85.9720 4.08844 1 0 1 9 84.9055 4.07127 1 0 -1 10 79.4055 3.79851 2 0 1 -10 81.6040 3.85743 2 0 1 10 78.2430 3.82083 1 0 -1 -10 78.7377 3.82573 1 0 -1 11 32.8269 1.85127 2 0 -1 -11 35.2150 1.84618 1 0 1 -11 37.2316 1.93808 2 0 -1 -12 5.74982 0.81603 1 0 -1 12 7.80642 0.87000 2 0 1 12 5.78774 1.04209 2 0 1 -12 8.58200 1.04318 2 0 -1 13 21.4452 1.27026 2 0 1 13 22.6208 1.46220 2 0 1 -13 17.5671 1.43119 2 0 -1 -13 18.3645 1.27256 1 0 1 -14 13.8477 1.25905 2 0 -1 -14 10.5207 1.05036 1 0 1 14 11.7688 1.19907 2 0 -1 14 11.7473 1.02292 2 0 -1 -15 5.98516 0.92633 1 0 1 -15 3.43516 1.15429 2 0 -1 -15 6.54880 1.35746 2 0 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2.71600 1.44496 2 0 -1 -23 2.13644 1.55174 2 0 -1 23 0.85042 1.06636 2 0 1 23 0.31299 1.23629 2 0 -1 -24 2.88556 1.16951 1 0 1 -24 2.53891 1.47644 2 0 -1 24 3.25371 1.15192 2 0 1 24 3.54225 1.28753 2 0 -1 25 5.97029 1.24964 2 0 1 25 4.73081 1.39298 2 0 -1 -25 5.60429 1.29676 1 0 1 -25 4.74934 1.57795 2 0 -1 26-0.34179 1.20400 2 0 -1 -26-0.41592 1.27018 1 0 1 -26-1.44230 1.57277 2 0 1 27 4.07521 1.43935 2 0 -1 27 5.49135 1.34923 2 0 -1 -27 6.95949 1.43922 1 0 1 -27 5.34123 1.70413 2 0 1 28 1.95968 1.40910 2 0 -1 28 0.94880 1.31252 2 0 -1 -28-0.60976 1.41142 1 0 -1 -29 5.40146 1.50530 1 0 -1 29 7.64255 1.40414 2 0 1 29 6.18960 1.52833 2 0 -1 -30 0.07430 1.48387 1 0 -1 30 0.57837 1.35706 2 0 1 30 0.21720 1.51912 2 0 -1 31 1.19014 1.36575 2 0 1 31 3.59587 1.53664 2 0 -1 32-2.01117 1.42783 2 0 1 32-0.64961 1.54541 2 0 -1 33 0.95551 1.44668 2 0 1 33 1.77152 1.55270 2 0 1 34 1.18897 1.63662 2 0 -1 34 0.61663 1.46548 2 0 -1 35 6.17260 1.56542 2 0 1 35 2.60936 1.67418 2 0 -1 36 2.46363 1.57934 2 0 1 36 6.48755 1.74764 2 0 1 37 0.57056 1.70948 2 0 -1 37-0.15693 1.57995 2 0 1 38 2.19706 1.74785 2 0 -1 38 2.64654 1.64814 2 0 -1 39 0.25064 1.66097 2 0 1 39 0.19185 1.75818 2 0 1 40-1.83705 1.89636 2 0 -1 40 0.55121 1.73920 2 0 -1 41 0.86011 1.74198 2 0 -1 42 0.78760 1.80611 2 0 -2 0 311.873 14.7550 2 0 2 0 330.697 14.7678 2 0 -2 0 309.372 14.8858 4 0 2 -1 1098.04 50.7083 2 0 -2 1 1094.77 50.6980 2 0 -2 -1 1093.92 50.7201 2 0 2 1 1109.57 50.7264 2 0 -2 1 1105.68 50.8490 4 0 2 -2 495.043 22.3272 2 0 -2 2 464.282 22.4737 4 0 2 -2 497.413 22.4949 4 0 -2 2 483.794 22.3157 2 0 2 2 474.102 22.3621 2 0 -2 -2 474.466 22.3618 2 0 2 -3 1266.92 55.1917 4 0 -2 3 1252.67 55.1834 4 0 -2 3 1193.46 54.9989 2 0 2 3 1178.74 55.0617 2 0 -2 -3 1175.44 55.0637 2 0 2 -3 1179.24 55.0097 2 0 2 4 222.448 10.5342 3 0 2 -4 221.163 10.5490 4 0 -2 -4 228.063 10.4474 2 0 2 4 221.923 10.4398 2 0 2 5 33.0869 1.94497 3 0 2 5 36.4983 1.86937 1 0 2 -5 30.4568 1.94310 4 0 -2 -5 33.3780 1.84511 2 0 2 5 32.2127 1.82312 2 0 -2 6 307.349 14.3679 2 0 -2 6 305.475 14.3675 2 0 2 6 310.350 14.5476 3 0 -2 -6 324.511 14.5647 3 0 2 6 322.042 14.4963 1 0 2 6 316.596 14.4668 2 0 -2 -6 314.895 14.4756 2 0 -2 7 438.199 20.4307 2 0 2 7 403.233 20.5970 3 0 -2 -7 437.999 20.6019 3 0 -2 7 451.704 20.4360 2 0 2 7 471.115 20.5619 1 0 -2 -7 433.509 20.5375 2 0 2 7 442.441 20.5305 2 0 -2 -8 34.7067 2.06749 3 0 -2 -8 33.3585 1.99321 2 0 2 8 36.2505 1.93902 2 0 2 8 34.8142 1.93933 1 0 -2 8 34.8146 1.71846 2 0 -2 9 374.665 17.3247 2 0 -2 -9 390.876 17.4496 1 0 -2 -9 366.477 17.4459 2 0 2 9 370.852 17.4371 2 0 2 9 380.010 17.4447 1 0 -2 -9 360.661 17.4998 3 0 -2 -10 270.524 12.9369 3 0 -2 10 277.240 12.7529 2 0 -2 -10 246.129 12.8777 2 0 2 -10 271.953 12.8014 2 0 -2 -10 285.311 12.8733 1 0 2 10 281.244 12.8728 2 0 2 10 289.000 12.8763 1 0 -2 -11 198.721 9.54001 3 0 -2 11 197.395 9.35778 2 0 -2 -11 197.549 9.51687 2 0 2 -11 203.517 9.41483 2 0 -2 -11 216.959 9.49354 1 0 2 11 203.603 9.48421 2 0 2 11 192.836 9.45894 1 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7.11100 1.35065 2 0 2 29 6.00518 1.68446 2 0 -2 -30 9.15694 1.86056 1 0 2 30 8.19139 1.68781 2 0 -2 30 7.39027 1.36416 2 0 2 31 8.37379 1.75627 2 0 -2 31 10.0386 1.45061 2 0 2 32 0.53614 1.58433 2 0 -2 32-0.15997 1.30052 2 0 2 33 2.12155 1.67766 2 0 -2 33 2.63143 1.38026 2 0 2 34 0.68766 1.70256 2 0 -2 34 0.60892 1.39127 2 0 2 35-1.47159 1.75130 2 0 -2 35 1.50921 1.43292 2 0 2 36 6.60484 1.90605 2 0 -2 36 6.52814 1.56380 2 0 2 37 1.70332 1.82116 2 0 2 38 2.80477 1.85247 2 0 -3 0 0.73800 1.01986 4 0 3 0-0.22378 0.71751 2 0 -3 0 0.04479 0.66628 2 0 3 -1 34.7700 1.77637 2 0 -3 1 31.7443 2.04676 4 0 -3 -1 33.6199 2.10285 4 0 -3 1 34.3111 1.73566 2 0 -3 -1 33.3512 1.78907 2 0 3 1 34.5279 1.80769 2 0 3 -2 23.7743 1.33588 2 0 -3 -2 26.6570 1.43613 2 0 -3 2 22.9647 1.27130 2 0 3 2 22.7504 1.43849 2 0 -3 2 24.6117 1.70095 4 0 3 -3 13.0423 0.94218 2 0 -3 -3 14.5987 1.12075 2 0 -3 3 14.8898 0.87144 2 0 3 3 13.7839 1.11345 2 0 3 -3 16.6525 1.51225 4 0 -3 3 15.5040 1.35718 4 0 3 -4 75.8509 3.89386 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207.703 9.84280 3 -2 -2 -9 202.983 9.74125 1 2 2 9 191.881 9.73374 1 -2 -2 -9 218.695 9.78698 2 -2 2 -9 206.107 9.55342 2 2 -2 9 205.184 9.54335 2 -2 -2 -10 93.4281 4.52399 3 -2 -2 -10 89.7647 4.38789 1 2 2 10 87.9069 4.35316 1 -2 2 -10 86.0736 4.13695 2 -2 -2 -10 78.4666 4.46727 2 2 -2 10 86.3154 4.10737 2 -2 -2 -11 141.632 6.64125 3 2 -2 11 132.914 6.29495 2 -2 2 -11 136.753 6.32920 2 -2 -2 -11 129.178 6.56111 2 2 2 11 129.304 6.47827 1 -2 -2 -11 136.858 6.53108 1 2 -2 12 91.8066 4.38592 2 -2 2 -12 92.0174 4.42163 2 -2 -2 -12 93.0897 4.63869 1 2 2 12 91.1707 4.58464 1 -2 -2 -12 94.5169 4.73535 3 -2 -2 -12 90.8653 4.71065 2 2 -2 13-1.35104 0.67937 2 -2 -2 -13-0.35990 1.24289 3 -2 -2 -13-1.52422 1.23282 1 -2 2 -13-0.53277 0.82765 2 -2 -2 -14 190.654 8.94297 3 -2 2 -14 173.221 8.66041 2 2 -2 14 189.077 8.62641 2 -2 -2 -14 190.099 8.85206 1 -2 -2 -15 64.8507 3.65146 3 -2 2 -15 65.1991 3.38299 2 2 -2 15 70.5620 3.31988 2 -2 -2 -15 68.5762 3.59015 1 -2 -2 -16 56.1821 3.02444 3 -2 2 -16 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6.50863 1.65943 3 -2 -3 26 0.70770 1.22948 2 -2 3 26 2.70085 1.61050 2 2 -3 -26 2.07982 1.48391 3 -2 -3 25 5.76181 1.27991 2 -2 3 25 6.23270 1.63857 2 2 -3 -25 5.50109 1.51737 3 -2 -3 24 13.0424 1.41909 2 2 -3 -24 14.9143 1.70246 3 -2 3 24 18.4620 1.83838 2 -2 -3 23 11.9590 1.35004 2 -2 -3 23 13.7629 1.38475 2 2 -3 -23 14.0198 1.61489 3 -2 3 23 14.0780 1.75932 2 -2 3 22 4.25976 1.05566 1 -2 -3 22 4.63664 1.14330 2 -2 -3 22 4.02901 1.14526 2 2 -3 -22 5.12962 1.33025 3 -2 3 22 6.62743 1.48626 2 -2 -3 21 3.88004 1.12383 2 -2 3 21 4.75355 1.07495 1 -2 -3 21 4.18970 1.10557 2 2 -3 -21 4.12749 1.26557 3 -2 3 21 3.19327 1.43424 2 -2 3 20 14.4953 1.58694 2 -2 3 20 14.1612 1.27140 1 -2 -3 20 12.0278 1.25085 2 2 -3 -20 11.7712 1.38300 3 -2 -3 20 10.3298 1.31931 2 -2 -3 19 31.1304 1.94568 2 -2 3 19 37.4714 2.18959 2 2 -3 -19 29.8449 2.32595 2 -2 -3 19 30.4515 1.89839 2 -2 3 19 29.6900 1.89678 1 2 -3 -19 32.5735 2.05215 3 -2 -3 18 7.99647 1.09708 2 2 -3 -18 9.51060 1.58358 2 -2 3 18 7.97230 1.35468 2 -2 3 18 7.54202 1.05645 1 2 -3 -18 7.54568 1.20284 3 -2 -3 18 8.47015 1.14771 2 -2 -3 17 10.3408 1.20322 2 2 -3 -17 12.3323 1.61787 2 -2 3 17 13.4775 1.39423 2 -2 -3 17 12.0892 1.13432 2 2 -3 -17 11.6999 1.25492 3 2 3 -17 12.0395 1.77246 4 -2 3 17 12.7897 1.18385 1 2 -3 -16 4.50173 1.35006 2 -2 3 16 2.51668 1.15452 2 -2 -3 16 2.18063 0.95866 2 -2 3 16 0.50884 0.90802 1 2 -3 -16 0.92286 0.97820 3 2 3 -16-0.55994 1.41153 4 -2 -3 16 1.42289 0.96646 2 2 -3 -15 7.41725 1.08644 3 -2 -3 15 9.61981 1.08805 2 2 -3 -15 9.74172 1.43886 2 -2 3 15 8.52823 1.24052 2 -2 -3 15 10.4409 1.07650 2 -2 3 15 9.02174 1.00561 1 2 3 -15 9.30812 1.55562 4 2 -3 -14 27.6651 1.84519 3 2 -3 -14 29.3484 2.08560 2 -2 -3 14 32.2307 1.85454 2 -2 -3 14 31.0196 1.80794 2 -2 3 14 29.3498 1.79413 1 -2 3 14 34.4192 1.97320 2 2 3 -14 34.1254 2.24259 4 2 -3 -13 25.1531 1.66208 3 -2 3 13 26.5359 1.75082 2 2 -3 -13 25.7489 1.88353 2 -2 -3 13 27.1310 1.73614 2 -2 -3 13 27.1220 1.62690 2 2 3 -13 26.6823 2.08924 4 -2 3 13 29.6353 1.63672 1 -2 -3 12 36.3084 2.03742 2 2 -3 -12 37.2958 2.16045 2 -2 -3 12 32.7139 1.93210 2 -2 3 12 35.5883 2.01628 2 2 3 -12 33.8079 2.32289 4 -2 3 12 32.1422 1.93686 1 2 -3 -12 33.8341 1.96257 3 2 -3 -11 5.34026 1.17854 2 -2 3 11 7.67306 1.10796 2 -2 -3 11 6.78057 1.17732 2 -2 3 11 7.97478 0.94604 1 -2 -3 11 5.42394 0.94361 2 -2 -3 10 17.7724 1.34481 2 2 -3 -10 20.3773 1.54658 2 -2 3 10 20.3814 1.44899 2 -2 -3 9 130.169 6.56381 2 2 -3 -9 143.803 6.65554 2 -2 3 9 143.667 6.61471 2 -2 3 8 18.0825 1.37337 2 -2 3 8 17.0310 1.29032 3 -2 -3 8 18.1566 1.28998 2 2 3 -8 17.1832 1.27079 2 2 -3 -8 17.5289 1.40730 2 -2 3 7 32.5637 1.86417 2 2 3 -7 29.3841 1.82118 2 -2 3 7 30.5292 1.80770 3 -2 -3 7 34.1742 1.84324 2 2 -3 -7 31.7738 1.87793 2 2 3 -6 36.6814 2.27803 2 -2 3 6 46.6613 2.29562 3 -2 -3 6 43.2871 2.30273 2 -2 3 6 43.7022 2.28002 2 2 -3 -6 44.6779 2.34873 2 2 3 -5 90.0166 4.49602 2 -2 -3 5 91.9894 4.47378 2 -2 3 5 93.8080 4.47640 3 2 -3 -5 90.5041 4.49496 2 -2 3 5 94.0644 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2.73433 4 2 4 -5 59.2905 3.16608 2 -2 4 5 65.5352 3.14794 2 -2 -4 5 64.5644 3.12407 2 -2 -4 5 65.5543 3.58747 4 2 -4 -5 60.0359 3.24838 4 2 -4 -5 61.2079 3.17853 2 -2 4 4 12.5869 1.08346 2 -2 -4 4 13.2189 1.05015 2 2 4 -4 12.8267 1.19886 2 2 -4 -4 11.6832 1.10758 2 2 -4 -4 12.2096 1.10150 4 -2 -4 4 15.4279 1.69638 4 -2 4 3 9.23955 0.95506 2 -2 -4 3 7.37331 1.52621 4 2 -4 -3 11.2400 1.12837 4 -2 -4 3 9.84014 0.95613 2 2 4 -3 10.9358 1.12065 2 2 -4 -3 9.06379 1.01100 2 -2 -4 2 227.806 10.6180 2 -2 4 2 236.083 10.5797 2 2 -4 -2 220.894 10.6044 2 2 4 -2 210.121 10.6511 2 -2 -4 2 248.821 11.0275 4 2 -4 -2 226.582 10.7110 4 2 -4 -1 33.3388 1.92833 2 -2 4 1 36.5798 1.88847 2 -2 -4 1 37.5720 2.00238 2 2 4 -1 37.5531 2.34933 1 2 4 -1 35.5115 2.09330 2 -2 -4 1 36.4243 2.54720 4 2 -4 -1 39.1081 2.11200 4 2 4 0 100.336 4.73534 1 -2 -4 0 87.2591 4.44339 2 -2 4 0 96.2953 4.33932 2 2 4 0 91.8646 4.51054 2 2 -4 0 84.2765 4.36890 2 -2 -4 0 97.0492 4.92457 4 -2 4 -1 48.6079 2.29047 2 -2 -4 -1 43.0810 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10 10.0202 1.67587 3 2 4 10 8.15286 1.38458 1 2 4 10 8.71725 1.31323 2 -2 -4 -10 7.39400 1.35398 2 2 4 11 4.79651 1.61126 3 -2 4 -11 2.86238 1.19990 4 2 4 11 3.69941 1.30946 1 2 4 11 3.73579 1.28612 2 -2 -4 -11 3.70742 1.36377 2 2 4 12 67.0192 3.49299 3 -2 -4 -12 53.4170 3.19912 2 2 4 12 57.0498 3.19009 1 2 4 12 52.9961 3.11520 2 2 4 13 8.84954 1.69781 3 -2 -4 -13 9.24367 1.56115 2 2 4 13 7.51172 1.38813 1 2 4 13 7.81279 1.38711 2 2 4 14 17.6896 1.71211 1 2 4 14 16.4937 1.66286 2 2 4 15 50.3708 3.05451 2 2 4 15 55.0948 3.10284 1 -2 -4 -16 39.4957 2.54278 1 2 4 16 38.9034 2.48976 1 2 4 16 33.5276 2.45801 2 -2 -4 -17 10.6991 1.78729 1 2 4 17 12.7098 1.79386 2 -2 -4 -17 13.0637 1.91224 3 2 4 17 17.4244 1.75544 1 2 4 18 76.6305 4.52455 2 -2 -4 -18 85.8907 4.57116 1 2 4 18 86.5040 4.52156 1 -2 -4 -18 90.2186 4.72156 3 2 4 19 50.2137 3.58110 2 -2 -4 -19 63.0567 3.62381 1 2 4 19 65.4641 3.52970 1 -2 -4 -19 69.7149 3.80486 3 2 4 20 63.8124 3.92082 2 -2 -4 -20 72.7928 4.06201 3 -2 -4 -20 66.3813 3.95846 1 2 4 20 72.5742 3.82589 1 2 4 21 13.1898 2.06765 2 -2 -4 -21 26.3413 2.22038 3 -2 -4 -21 17.9358 2.05784 1 2 4 21 21.3903 1.88594 1 -2 -4 -22 1.96836 1.63652 3 -2 -4 -22 0.54894 1.70473 1 2 4 22 1.35821 1.65964 2 -2 -4 -23 15.4758 2.04430 3 2 4 23 11.6340 1.97763 2 -2 -4 -24 7.04297 1.79264 3 2 4 24 1.49222 1.70322 2 -2 -4 -25 9.54877 1.93557 3 2 4 25 6.21339 1.86945 2 -2 -4 -26 5.00309 1.87251 3 2 4 26 2.20706 1.84907 2 -2 -4 -27 6.38997 1.86922 3 2 4 27 2.61847 1.95233 2 -2 -4 -28 0.78068 1.89776 3 -2 -4 -29 9.28433 2.14384 3 -2 -4 -30 5.63278 2.04557 3 -2 -4 -31 8.78101 2.25250 3 -2 -4 -32 0.45014 2.08236 3 -2 -4 -33 13.4035 2.53576 3 -2 -4 -34 1.28632 2.33435 3 2 -5 -33 0.87363 1.97573 3 -2 5 33-4.50473 2.03326 2 2 -5 -32-0.23650 1.92035 3 -2 5 32 2.11202 1.94425 2 2 -5 -31 5.77713 2.03242 3 -2 5 31 3.96880 1.90458 2 2 -5 -30 1.39887 1.90009 3 -2 5 30 1.69461 1.79243 2 2 -5 -29 3.99606 1.86137 3 -2 5 29 5.32190 1.90155 2 2 -5 -28 4.21930 1.84556 3 -2 5 28 2.18474 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1.70256 2 -3 5 21 1.73405 1.45798 1 -3 5 21-2.02379 1.60869 2 -3 -5 20 22.6216 1.63570 2 -3 5 20 22.0091 2.03428 2 -3 5 20 24.6991 1.96252 1 -3 -5 19 27.0883 1.89036 2 -3 5 19 32.4098 2.26366 2 -3 5 19 32.7343 2.20134 1 -3 -5 18 29.0547 1.91894 2 -3 5 18 31.8137 2.26011 2 -3 5 18 30.4507 2.17184 1 -3 -5 17 22.5961 1.70703 2 -3 5 17 23.5399 2.00898 2 -3 5 17 27.2631 1.97064 1 -3 5 16 11.4400 1.55610 1 -3 5 16 9.41891 1.51070 2 -3 -5 16 9.28016 1.32398 2 -3 5 15 3.07189 1.41769 1 -3 5 15 4.77135 1.39494 2 -3 -5 15 2.35794 1.22214 2 -3 -5 14 5.21719 1.09264 2 -3 5 14 8.04230 1.41169 2 -3 5 14 8.41500 1.51402 1 3 -5 -14 6.76212 1.55574 2 -3 -5 14 8.70567 1.37217 2 3 -5 -13 18.0861 1.85355 2 -3 5 13 21.3307 1.72195 2 -3 -5 13 22.1771 1.50918 2 3 -5 -12 7.87560 1.47563 2 -3 -5 12 6.96205 1.10195 2 -3 5 12 5.85375 1.31921 2 3 -5 -11 14.7068 1.60792 2 3 5 -11 12.8305 1.35782 2 -3 5 11 13.4769 1.43983 2 -3 -5 11 14.5859 1.27516 2 -3 5 11 12.1335 1.34202 3 3 -5 -10 6.82737 1.42503 2 3 -5 -10 7.14671 1.27718 4 3 5 -10 6.54961 1.20143 2 -3 5 10 7.15286 1.16721 3 -3 5 10 6.85347 1.25645 2 -3 -5 10 6.88351 1.06581 2 3 5 -9 137.315 7.10317 2 3 -5 -9 149.100 7.20804 2 -3 -5 9 151.340 7.05293 2 -3 5 9 148.298 7.11026 2 -3 5 9 153.113 7.14886 3 3 -5 -9 147.476 7.18576 4 3 5 -8 77.7729 4.17479 2 3 -5 -8 83.5540 4.24907 2 -3 -5 8 83.5386 4.09736 2 -3 5 8 81.3438 4.14519 2 -3 5 8 85.1783 4.18292 3 -3 -5 8 93.0820 4.75166 4 3 -5 -8 79.6466 4.19763 4 3 5 -7 118.436 6.28018 2 -3 5 7 131.210 6.24803 2 3 -5 -7 132.159 6.34049 2 -3 -5 7 127.343 6.22674 2 3 -5 -7 136.605 6.35386 4 -3 -5 7 139.828 6.79462 4 -3 5 7 129.443 6.29069 3 -3 5 6 83.2217 4.18895 3 -3 5 6 80.5033 4.13923 2 -3 -5 6 82.2253 4.15043 2 3 5 -6 79.0724 4.24373 2 3 -5 -6 83.3966 4.24602 2 3 -5 -6 88.7991 4.25241 4 -3 -5 6 93.7256 4.80976 4 3 5 -6 85.4198 4.56237 1 -3 5 5 20.7270 1.50960 3 3 -5 -5 17.7829 1.56317 2 -3 5 5 19.9938 1.45291 2 -3 -5 5 19.6219 1.46612 2 3 5 -5 18.4499 1.64522 2 3 5 -5 23.7680 2.08372 1 3 -5 -5 20.1623 1.49646 4 -3 -5 5 21.0485 2.19750 4 3 -5 -4 16.3991 1.34941 4 -3 -5 4 18.0756 2.17100 4 3 5 -4 14.0605 1.54080 2 -3 5 4 15.3851 1.27468 2 -3 -5 4 14.0158 1.31576 2 3 -5 -4 16.0244 1.39825 2 3 5 -4 17.8422 1.93186 1 3 5 -3 4.16029 1.59084 1 -3 5 3 7.57792 1.01118 2 3 5 -3 5.57564 1.31703 2 -3 -5 3 6.79014 1.13068 2 3 -5 -3 5.92380 1.10983 2 -3 -5 3 5.55262 1.95167 4 -3 -5 2 23.6455 1.81709 2 -3 5 2 31.4586 1.71523 2 3 5 -2 30.2241 2.32522 1 -3 -5 2 33.0391 2.59921 4 3 5 -2 26.2734 1.95339 2 3 5 -1 32.2908 2.37969 1 -3 5 1 30.4793 1.67199 2 -3 -5 1 27.5181 1.86404 2 3 5 -1 26.4297 1.99072 2 -3 -5 1 30.6432 2.58625 4 -3 -5 0 9.02778 1.92868 4 -3 -5 0 8.14592 1.18933 2 -3 5 0 6.66752 0.86760 2 3 5 0 7.83597 1.72137 1 3 5 0 5.07004 1.29920 2 -3 5 0 7.56361 0.84176 2 -3 5 -1 43.4018 2.19472 2 -3 -5 -1 35.7154 2.42237 2 -3 5 -1 47.0960 2.20525 2 3 5 1 36.4428 2.52055 2 -3 -5 -1 53.4529 3.27747 4 3 5 1 43.5772 2.84114 1 3 5 2 39.2039 2.60199 1 -3 -5 -2 35.4126 2.22554 2 -3 5 -2 40.1663 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1 3 5 14 13.0873 1.83722 2 3 5 15 3.45668 1.60291 1 3 5 15 3.65959 1.65150 2 3 5 16 0.52970 1.59983 2 3 5 16 0.97904 1.63025 1 3 5 17 2.99208 1.74353 2 3 5 17 7.06580 1.75377 1 3 5 18 2.16719 1.79054 2 3 5 18 3.97957 1.71079 1 3 5 19 2.44171 1.77107 2 3 5 19 2.65350 1.64421 1 3 5 20-0.56477 1.78010 2 3 5 20 1.44877 1.61325 1 3 5 21-1.83093 1.78655 2 3 5 21 2.56884 1.58826 1 3 5 22-1.02199 1.78215 2 3 5 23 4.07792 1.90005 2 3 5 24 1.38051 1.88582 2 3 5 25 3.07302 1.98396 2 3 5 26-0.03612 1.92619 2 3 5 27 4.33794 2.01544 2 3 5 28 0.86354 1.99187 2 3 5 29 7.58346 2.13912 2 -3 -5 -29 9.34081 2.41062 3 -3 -5 -30 6.43829 2.41494 3 -3 6 30-0.44610 1.94455 2 -3 6 29-3.02662 1.92753 2 -3 6 28 3.25213 1.82503 2 -3 6 27 1.95886 1.78477 2 -3 6 26 2.70244 1.75738 2 -3 6 25 0.63836 1.67311 2 -3 6 24 1.47673 1.65359 2 -3 6 23 2.34066 1.62656 2 -3 6 22 1.93464 1.69339 1 -3 6 22 4.94057 1.57896 2 -3 6 21 7.41327 1.80091 1 -3 6 21 6.81147 1.61241 2 -3 6 20 0.65628 1.66390 1 -3 6 20 0.96245 1.43632 2 -3 6 19 2.62123 1.71211 1 -3 6 19 0.83500 1.42469 2 -3 6 18 5.66345 1.71199 1 -3 6 18 4.02301 1.48245 2 -3 6 17 6.49625 1.75099 1 -3 6 17 3.10336 1.46234 2 -3 6 16 7.95156 1.83332 1 -3 6 16 8.07674 1.46153 2 -3 6 15 6.20109 1.84027 1 -3 6 15 0.16003 1.40302 2 3 -6 -14 1.92546 1.51967 4 -3 6 14 5.03172 1.56001 2 -3 6 14 0.94631 1.76369 1 3 -6 -13 23.9744 2.07812 4 -3 6 13 27.1510 2.39079 1 -3 6 13 18.8734 1.77160 2 -3 6 12 3.09127 1.30042 2 3 -6 -12 3.51341 1.49849 4 -3 6 11 7.29228 1.35157 2 3 -6 -11 9.12850 1.55253 4 3 -6 -10 20.5599 1.79418 4 -3 6 10 17.7789 1.60701 2 3 6 -10 15.7610 1.64738 2 -3 6 9 4.22183 1.30685 2 3 -6 -9 6.69902 1.46624 4 3 6 -9 4.21213 1.34155 2 -3 6 9 7.78066 1.33076 3 -3 6 8 4.00359 1.27545 2 3 -6 -8 5.22989 1.42238 4 3 6 -8 6.54744 1.38173 2 -3 -6 8 7.33291 2.10124 4 -3 6 8 4.54201 1.30260 3 3 6 -7 0.72641 1.89899 1 3 6 -7 0.16070 1.30866 2 -3 6 7-1.23863 1.19370 3 -3 6 7-1.34740 1.18095 2 -3 -6 7 0.20218 1.98647 4 3 -6 -7 0.94990 1.21907 4 3 6 -6 57.5050 3.69090 2 -3 6 6 74.2337 3.64527 2 3 -6 -6 69.6625 3.77855 4 -3 -6 6 79.0116 4.40678 4 -3 6 6 73.9778 3.75035 3 3 6 -6 75.5844 4.23027 1 3 6 -5 0.67565 1.87113 1 -3 -6 5 2.06102 2.03813 4 -3 6 5-1.30290 1.22195 2 -3 6 5 0.73326 1.21696 3 3 -6 -5 1.24917 1.22175 4 3 6 -5 1.33488 1.38173 2 3 6 -4 32.1664 2.39724 2 -3 -6 4 34.3950 2.23236 2 -3 6 4 41.9986 2.24680 2 -3 -6 4 40.5334 3.13358 4 3 6 -4 44.6824 2.99372 1 -3 6 3 5.02062 1.16187 2 -3 -6 3 4.02381 1.18603 2 3 6 -3 5.70759 1.92152 1 -3 -6 3 9.97902 2.19983 4 3 6 -3 4.19026 1.40697 2 3 6 -2 2.16504 1.44369 2 3 6 -2 0.74466 1.85606 1 -3 -6 2 1.53448 2.06740 4 -3 -6 2-0.20197 1.15737 2 -3 6 2 0.21218 1.07147 2 3 6 -1 2.23650 1.40460 2 3 6 -1-0.29506 1.92773 1 -3 -6 1 2.24342 2.11080 4 -3 -6 1 1.39885 1.18221 2 -3 6 1 2.47716 1.04589 2 3 6 0 6.37976 1.47558 2 3 6 0 10.5879 2.04184 1 -3 -6 0 6.67426 2.22809 4 -3 6 0 7.69170 1.02803 2 -3 -6 0 8.21951 1.35766 2 3 6 1 0.46069 1.37960 2 3 6 1 2.87365 1.85634 1 -3 -6 -1 1.19173 2.11923 4 -3 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3.13074 1 4 4 1 33.4651 2.25278 1 -4 -4 -1 28.5291 2.05249 2 -4 4 -1 29.6240 1.71349 2 4 4 1 25.2518 2.04885 2 -4 4 -1 30.8018 1.67109 2 -4 4 -1 32.8598 1.85771 4 -4 4 -2 58.5574 3.00582 2 -4 -4 -2 49.9096 3.28821 2 -4 4 -2 67.7653 3.20459 4 4 4 2 62.2785 3.49562 1 4 4 2 60.9362 3.38724 2 -4 4 -2 69.3509 3.07440 2 4 4 2 54.0181 3.53389 3 -4 4 -3 63.0835 3.02207 2 -4 4 -3 65.7269 3.22523 4 -4 -4 -3 53.6712 3.35262 2 4 4 3 65.9402 3.51697 1 -4 4 -3 63.5824 3.06687 2 4 4 3 56.6047 3.39549 2 4 4 3 57.4127 3.58660 3 -4 4 -4 103.419 4.72734 4 4 4 4 87.5365 4.82946 2 -4 4 -4 103.854 4.52415 2 -4 -4 -4 81.6788 4.79005 2 4 4 4 83.7891 4.90127 1 -4 4 -4 94.4162 4.48588 2 4 4 4 82.6921 4.97122 3 -4 -4 -5 46.1353 2.91361 2 4 4 5 45.6982 2.97027 1 -4 4 -5 53.0669 2.49653 2 4 4 5 47.9255 2.94796 2 -4 4 -5 54.3938 2.74287 4 -4 4 -5 48.8602 2.47074 2 -4 -4 -6 49.1531 3.06979 2 -4 4 -6 57.4850 2.62771 2 4 4 6 51.8904 3.12904 1 4 4 6 49.1194 3.06727 2 -4 4 -6 51.9286 2.61619 2 -4 4 -6 54.9178 2.89111 4 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8.11728 1.72040 2 -5 -3 15 9.83888 1.83424 2 5 3 -14 55.3625 2.94292 1 -5 -3 14 50.2450 3.04882 2 -5 3 14 47.8738 3.06792 2 5 -3 -14 54.7969 3.21703 2 5 3 -14 58.1971 3.43729 4 5 3 -13 45.5639 2.59254 1 5 3 -13 47.9383 3.03669 4 -5 3 13 41.2394 2.71816 2 -5 -3 13 44.8097 2.71915 2 5 3 -12 54.5992 3.27524 2 5 3 -12 62.1523 3.22538 1 -5 3 12 66.9614 3.32711 2 -5 -3 12 55.0916 3.31061 2 -5 -3 11 3.89245 1.37912 2 5 3 -11 4.34801 1.16878 1 5 3 -11 2.65729 1.31248 2 -5 3 11 3.27990 1.28246 2 -5 -3 10 6.17766 1.43722 2 5 3 -10 6.78395 1.38389 2 -5 -3 10 8.31258 1.48521 4 -5 3 10 8.24051 1.32545 2 5 3 -10 6.64906 1.21960 1 5 3 -9 25.8005 2.07247 2 -5 3 9 35.9512 2.05097 2 -5 -3 9 29.8638 2.20198 4 -5 -3 9 26.7301 2.04791 2 5 3 -9 30.6542 1.98642 1 -5 3 9 32.0634 1.95091 2 -5 -3 8 9.05992 1.44363 2 5 3 -8 10.4076 1.46296 2 5 3 -8 10.7390 1.32552 1 -5 -3 8 9.93833 1.58628 4 -5 3 8 8.59330 1.19840 2 -5 3 8 8.72172 1.29178 2 5 3 -7 79.1258 4.49463 2 -5 3 7 85.7014 4.37135 2 -5 -3 7 92.1276 4.76756 4 -5 3 7 101.518 4.47861 2 5 3 -7 95.0980 4.48396 1 -5 -3 7 76.7143 4.48005 2 -5 3 6 21.7088 1.55175 2 5 3 -6 22.5120 1.84520 2 -5 3 6 28.7894 1.71400 2 -5 -3 6 21.7248 2.02582 4 -5 -3 6 20.1320 1.83379 2 5 3 -6 24.3345 1.69178 1 -5 -3 5 7.99747 1.43139 2 5 3 -5 9.56315 1.41438 2 -5 3 5 7.10771 1.02724 2 5 3 -5 7.49976 1.18680 1 -5 3 5 9.07623 1.16509 2 -5 -3 5 6.14946 1.56587 4 -5 -3 4 20.9711 1.92959 4 -5 -3 4 18.6816 1.76881 2 -5 3 4 23.2375 1.53578 2 5 3 -4 19.4679 1.62216 1 5 3 -4 20.4454 1.74524 2 -5 3 4 19.7942 1.42909 2 -5 -3 3 168.656 8.10646 4 -5 -3 3 152.510 7.84528 2 -5 3 3 164.336 7.74920 2 5 3 -3 160.133 7.80112 1 -5 3 3 165.432 7.69316 2 5 3 -3 159.355 7.86232 2 -5 3 2 185.348 8.47958 2 5 3 -2 176.618 8.58139 1 5 3 -2 172.245 8.65445 2 -5 -3 2 166.075 8.61496 2 -5 3 2 180.406 8.51782 2 -5 -3 2 186.668 8.86786 4 -5 -3 2 183.013 8.64666 1 -5 3 1 132.005 6.11864 2 5 3 -1 121.395 6.23530 1 5 3 -1 139.710 6.37673 2 -5 3 1 125.634 6.13193 2 -5 -3 1 118.813 6.28777 2 -5 3 1 128.507 5.99236 4 -5 -3 1 122.437 6.27875 1 -5 -3 0 280.235 13.0838 1 5 3 0 255.218 13.0267 1 5 3 0 246.650 13.1091 3 -5 -3 0 267.565 13.0673 2 -5 3 0 272.803 12.9327 2 -5 3 0 292.706 12.9277 2 5 3 0 285.758 13.1124 2 -5 3 0 282.992 12.8416 4 -5 -3 -1 37.1607 2.44959 1 5 3 1 37.0358 2.39076 1 5 3 1 40.1863 2.52697 3 -5 3 -1 42.3361 2.22935 2 5 3 1 42.1677 2.59285 2 -5 -3 -1 37.1816 2.54557 2 -5 3 -1 39.7995 2.04434 4 -5 3 -1 39.8750 2.24974 2 5 3 2 16.0992 1.77902 2 5 3 2 13.5946 1.60476 3 -5 3 -2 17.4579 1.29075 2 -5 -3 -2 14.2458 1.74127 2 5 3 2 14.8408 1.47965 1 -5 -3 -2 15.9084 1.58161 1 5 3 3 16.2701 1.73065 2 5 3 3 14.9584 1.53649 1 -5 -3 -3 14.3565 1.60756 1 5 3 3 15.8313 1.70541 3 -5 3 -3 16.0478 1.25652 2 -5 -3 -3 15.5946 1.78491 2 5 3 4 100.206 5.50575 3 -5 -3 -4 102.757 5.45454 2 5 3 4 94.5956 5.35766 1 -5 -3 -4 96.8229 5.39010 1 5 3 4 104.579 5.44748 2 -5 3 -4 130.954 5.26384 2 5 3 5 132.802 7.19367 3 5 3 5 139.608 7.09938 1 -5 -3 -5 137.060 7.13953 1 -5 -3 -5 142.097 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3.23634 2 -5 3 -14 61.9442 3.29635 2 -5 -3 -14 63.2782 3.90982 3 -5 -3 -15 20.8370 2.30683 1 -5 3 -15 17.5339 1.73664 2 -5 -3 -15 22.4665 2.35502 3 5 -3 15 29.6268 1.59994 2 -5 3 -16 241.754 12.4273 2 5 -3 16 276.637 12.3591 2 -5 -3 -16 274.165 12.8785 3 -5 3 -17 90.4462 4.92609 2 5 -3 17 100.680 4.79135 2 -5 -3 -17 103.395 5.40145 3 5 -3 18 33.6191 2.00120 2 -5 -3 -18 31.8690 2.65682 3 5 3 19 1.90085 1.81466 2 -5 -3 -19 2.95790 1.80737 3 5 -3 19 1.45944 1.04472 2 5 -3 20 44.8561 2.46468 2 -5 -3 -20 43.6279 3.14580 3 5 3 20 40.1327 2.97941 2 -5 -3 -21 5.84496 1.92514 3 5 3 21 4.04545 1.82771 2 -5 -3 -22 6.00327 1.92102 3 5 3 22 6.60232 1.84791 2 5 3 23 3.22053 1.83931 2 5 3 24 3.22888 1.80387 2 5 3 25 6.53891 1.86377 2 5 3 26 3.41132 1.87890 2 5 3 27 4.88050 1.87714 2 5 3 28 4.40354 1.92524 2 5 3 29 0.21327 1.87160 2 5 3 30 1.01129 1.87097 2 5 3 31 6.67890 2.02053 2 -5 4 33-0.30555 2.07495 2 -5 4 32 6.63080 2.10844 2 -5 4 31 1.41308 2.03577 2 -5 4 30-0.67022 1.93218 2 -5 -4 30 1.42411 1.48514 2 -5 4 29 14.4348 2.19697 2 -5 -4 29 14.1807 1.73041 2 -5 4 28 3.30497 1.92061 2 -5 -4 28 2.08446 1.47326 2 -5 4 27 1.68870 1.86459 2 -5 -4 27 1.22075 1.46517 2 -5 -4 26 3.17489 1.50378 2 -5 4 26 2.56236 1.85607 2 -5 -4 25-0.34893 1.46472 2 -5 4 25 1.75917 1.80777 2 -5 -4 24 1.14470 1.57183 2 -5 4 24 3.19541 1.75022 2 -5 -4 23 3.91276 1.58625 2 -5 4 23 8.27782 1.79633 2 5 4 -23 3.60449 1.52913 1 5 4 -22 4.19990 1.54192 1 -5 4 22 5.14958 1.73960 2 -5 -4 22 4.79959 1.68402 2 5 4 -21 6.76580 1.57243 1 -5 4 21 6.83494 1.32285 1 -5 4 21 5.41244 1.79024 2 -5 -4 21 8.75326 1.74919 2 -5 4 20 3.84215 1.21387 1 5 4 -20 3.20984 1.50433 1 -5 -4 20 4.26516 1.78212 2 -5 4 20 5.18462 1.69326 2 5 4 -19 4.56463 1.54555 1 -5 4 19 8.79859 1.28884 1 -5 -4 19 7.18806 1.81240 2 -5 -4 19 3.75462 1.60673 2 -5 4 19 6.77899 1.65187 2 -5 -4 18 34.8958 2.57741 2 -5 -4 18 27.0905 2.28672 2 -5 4 18 33.7315 2.40056 2 5 4 -18 31.1674 2.30710 1 -5 4 18 32.5675 2.06974 1 5 4 -17 3.34249 1.51289 1 -5 -4 17 3.04434 1.87300 2 -5 -4 17-0.15891 1.44789 2 -5 4 17 3.54928 1.55823 2 5 4 -16 4.48043 1.50561 1 -5 -4 16 6.45465 1.87483 2 -5 -4 16 4.25843 1.48407 2 -5 4 16 5.71960 1.58671 2 5 4 -15 7.86788 1.57163 1 -5 -4 15 7.80439 1.49064 2 -5 4 15 11.2341 1.60539 2 5 4 -14 16.2193 1.75778 1 -5 4 14 14.9746 1.64463 2 5 -4 -14 12.2837 1.92196 2 -5 -4 14 14.0107 1.60243 2 5 -4 -13 10.2118 0.90862 4 5 4 -13 10.6980 1.54056 1 -5 4 13 10.6550 1.55557 2 5 -4 -13 10.6727 1.82313 2 -5 -4 13 6.38183 1.41163 2 -5 4 12 1.42747 1.34206 2 5 -4 -12 0.78549 0.70930 4 5 4 -12 2.77172 1.46064 1 5 4 -12 1.54182 1.31911 2 -5 -4 12-0.14221 1.27827 2 5 4 -11 21.6259 1.89410 2 -5 -4 11 19.8403 1.83819 2 -5 4 11 28.1302 1.92113 2 5 4 -11 25.2847 2.03063 1 -5 4 10 10.0424 1.38992 2 -5 -4 10 10.3438 1.88733 4 5 4 -10 8.19422 1.45233 2 5 4 -10 9.78282 1.59413 1 -5 -4 10 7.03515 1.42197 2 -5 4 9 4.54378 1.22301 2 5 4 -9 4.08581 1.39555 2 -5 -4 9 4.50986 1.78107 4 -5 -4 9 2.20392 1.35851 2 5 4 -9 4.23075 1.47578 1 -5 4 8 6.43221 1.18946 2 5 4 -8 5.21342 1.41773 2 -5 -4 8 5.56659 1.72502 4 5 4 -8 3.92401 1.44939 1 -5 -4 8 5.49388 1.39177 2 -5 4 8 6.38621 1.11248 2 -5 4 7 4.23785 1.17496 2 5 4 -7 3.26425 1.39037 2 -5 -4 7 5.81363 1.76236 4 5 4 -7 3.88953 1.48347 1 -5 4 7 5.46147 1.03001 2 -5 -4 7 4.53824 1.37351 2 -5 4 6 3.05432 1.00737 2 5 4 -6 3.58276 1.40573 2 -5 -4 6 5.72108 1.84262 4 5 4 -6 5.21745 1.45907 1 -5 -4 6 4.52359 1.39528 2 -5 4 6 5.82791 1.14192 2 -5 4 5 11.7965 1.25470 2 5 4 -5 10.4287 1.56880 2 -5 4 5 11.8309 1.20463 2 -5 -4 5 12.5833 2.04157 4 5 4 -5 12.0853 1.64311 1 -5 -4 5 9.20054 1.47199 2 -5 4 5 12.1269 0.85784 3 5 4 -4 6.88756 1.54741 1 5 4 -4 3.73315 1.42993 2 -5 4 4 5.78675 1.05428 2 -5 4 4 4.92170 1.09114 2 -5 -4 4 4.07466 1.76484 4 -5 4 4 5.87290 0.67966 3 -5 -4 4 4.87353 1.41161 2 -5 4 3 3.91370 1.00788 2 5 4 -3 4.85657 1.46457 2 -5 4 3 4.56042 1.04550 2 5 4 -3 5.71614 1.56333 1 -5 -4 3 6.24320 1.80273 4 -5 -4 3 4.10446 1.38636 2 5 4 -2 26.3967 2.13138 1 5 4 -2 21.2745 2.00918 2 -5 4 2 24.7197 1.63120 2 -5 -4 2 22.2448 1.96062 2 -5 4 2 25.9811 1.62681 2 -5 -4 2 28.2096 2.45340 4 5 4 -1 41.1260 2.75886 1 -5 4 1 44.6506 2.42650 2 5 4 -1 40.0040 2.75127 2 -5 -4 1 40.4993 2.70324 2 -5 4 1 49.1319 2.43225 2 -5 -4 1 47.7944 3.24326 4 -5 4 0-0.29908 0.95145 2 -5 4 0 0.41790 0.96956 2 -5 -4 0 1.01265 1.43228 2 5 4 0-0.21901 1.44253 1 5 4 0 1.51655 1.48237 2 5 4 1 0.50924 1.48739 2 -5 4 -1 2.21578 1.04799 2 5 4 1 2.02929 1.44203 1 -5 4 -1 3.11131 0.91619 4 -5 4 -1 2.54395 0.98354 2 -5 -4 -1 3.80571 1.51535 2 -5 -4 -2 13.4574 1.77106 2 -5 4 -2 16.9133 1.35344 2 -5 4 -2 18.1289 1.32038 2 5 4 2 15.4937 1.72320 1 -5 4 -2 15.6629 1.26511 4 5 4 2 13.8846 1.76690 2 5 4 3 2.74430 1.54226 2 -5 4 -3 1.51595 0.97124 2 5 4 3 1.48793 1.43675 1 -5 -4 -3 2.37353 1.49193 2 -5 4 -3 0.99623 0.93273 2 -5 4 -3 0.91386 0.94726 4 -5 4 -4 2.84811 0.99816 2 5 4 4 1.13469 1.51544 2 5 4 4 1.68764 1.53586 1 -5 4 -4 1.94590 0.97817 2 -5 4 -4 0.72254 0.96468 4 5 4 5 1.10754 1.54486 2 -5 4 -5 0.97919 0.90608 2 -5 4 -5 0.82890 0.94677 2 -5 4 -5 1.48274 0.93624 4 -5 -4 -5 0.74869 1.50652 1 5 4 5 2.26197 1.49113 1 -5 4 -6 22.8603 1.46501 2 5 4 6 18.0549 1.98913 2 5 4 6 17.1422 2.04427 1 -5 4 -6 23.7563 1.42113 2 -5 -4 -6 18.7376 2.03342 1 -5 4 -6 21.0191 1.53753 4 -5 4 -7 16.0931 1.26048 2 -5 4 -7 18.9611 1.22140 2 5 4 7 14.5920 1.95649 2 5 4 7 14.7179 1.89389 1 -5 -4 -7 14.7826 1.89897 1 -5 4 -7 16.1093 1.41897 4 5 4 8 21.1725 2.08789 2 -5 4 -8 20.4871 1.32700 2 5 4 8 21.1130 2.14144 1 -5 4 -8 21.2273 1.39596 2 5 4 9 1.10824 1.63092 2 5 4 9 0.92121 1.63574 1 -5 4 -9 2.27696 0.86079 2 -5 4 -10 19.8883 1.32980 2 5 4 10 16.1503 2.04458 2 5 4 11 28.6717 2.39847 2 5 4 12-0.08875 1.70922 2 5 -4 12 2.27393 0.69724 2 5 4 13 10.0520 1.85775 2 5 4 14 14.6779 2.01500 2 5 4 15 1.38671 1.72556 2 5 4 16 4.07321 1.78666 2 5 4 17 14.3464 2.06693 2 5 4 18-0.06526 1.85435 2 5 4 19 9.75487 1.99140 2 5 4 20 12.9345 2.06845 2 -5 -4 -25 0.22651 2.11642 3 -5 -4 -26 1.84388 2.19404 3 -5 -4 -27 2.69337 2.15656 3 -5 -4 -28 0.59784 2.19738 3 5 4 28 0.26894 2.00027 2 -5 5 31-0.48695 2.03117 2 -5 5 30 2.34601 2.02774 2 -5 5 29 1.57559 2.00474 2 -5 5 28 14.7426 2.19475 2 -5 5 27 9.41806 2.03837 2 -5 5 26 4.18088 1.91004 2 -5 5 25 5.16951 1.86773 2 -5 5 24 14.9362 2.01050 2 -5 5 23 0.49438 1.71969 2 -5 -5 23-1.16229 1.48850 2 -5 5 22 12.3398 1.90093 2 5 5 -22 12.2557 1.99259 1 -5 -5 22 12.9160 1.74042 2 -5 5 21 15.1388 1.89798 2 5 5 -21 13.7383 2.03928 1 -5 -5 21 13.6325 1.80723 2 -5 5 20 12.4443 1.84595 2 5 5 -20 13.8367 1.99125 1 -5 5 20 16.7724 1.77605 1 -5 -5 20 14.9102 1.90837 2 -5 5 19 4.57055 1.61797 2 5 5 -19 3.48879 1.74526 1 -5 5 19 4.85256 1.55808 1 -5 -5 19 2.40135 1.70802 2 -5 5 18 1.49957 1.50883 2 -5 -5 18 0.34818 1.74575 2 -5 5 18 0.95050 1.52189 1 5 5 -18 0.64910 1.73823 1 -5 -5 17 6.65023 1.88742 2 -5 5 17 3.79860 1.55790 2 5 5 -17 5.18672 1.82848 1 -5 5 16 29.3385 2.23503 2 5 5 -16 30.2349 2.54376 1 -5 -5 16 33.5376 2.61622 2 -5 -5 15 16.0987 1.69323 2 -5 5 15 19.0454 1.77502 2 5 5 -15 19.2966 2.12881 1 5 5 -14 0.28938 1.75219 1 -5 5 14-0.80714 1.41197 2 -5 -5 14-1.16702 1.35860 2 5 5 -13 28.3745 2.20575 2 -5 5 13 32.8090 2.10569 2 -5 -5 13 25.3742 2.06464 2 5 5 -13 32.9121 2.47850 1 5 5 -12 23.1708 2.16379 1 5 5 -12 17.5374 1.84524 2 -5 5 12 20.7318 1.71851 2 -5 -5 12 18.3735 1.75694 2 5 -5 -12 18.4012 2.08291 2 -5 -5 11 21.3060 1.79963 2 5 5 -11 20.8635 1.92416 2 5 5 -11 22.8771 2.24086 1 -5 5 11 20.1913 1.73449 2 5 5 -10 148.662 7.68067 2 -5 -5 10 167.886 8.21588 4 -5 -5 10 143.112 7.60718 2 -5 5 10 161.779 7.59059 2 5 5 -10 182.665 7.94184 1 -5 5 9 6.07285 1.27059 2 5 5 -9 6.56844 1.55514 2 5 5 -9 7.65936 1.88031 1 -5 -5 9 8.57536 2.18326 4 -5 -5 9 5.37917 1.39859 2 -5 5 8 23.5184 1.67616 2 5 5 -8 20.1455 1.94429 2 -5 -5 8 19.2607 1.81241 2 5 5 -8 24.5011 2.27036 1 -5 -5 8 21.7034 2.44558 4 5 5 -7 52.6309 3.43942 2 -5 5 7 65.8220 3.28218 2 -5 -5 7 67.1590 4.08705 4 -5 -5 7 57.4759 3.38469 2 -5 5 7 62.4508 3.24361 2 5 5 -7 71.6343 3.78006 1 5 5 -6 17.4259 1.87633 2 -5 5 6 19.7021 1.53446 2 -5 5 6 17.9327 1.45644 2 -5 -5 6 18.7788 2.48452 4 5 5 -6 22.3662 2.15830 1 -5 -5 6 15.5820 1.71802 2 -5 5 5 10.0522 1.21108 2 -5 5 5 11.7902 1.30804 2 5 5 -5 9.90627 1.65237 2 5 5 -5 12.4975 2.01191 1 -5 -5 5 12.1671 2.33340 4 -5 -5 5 10.3551 1.53528 2 -5 5 5 11.7868 1.11800 3 -5 5 4 12.8718 1.16863 2 5 5 -4 11.5369 1.94848 1 5 5 -4 9.91874 1.66650 2 -5 5 4 10.4341 1.32999 2 -5 -5 4 9.93366 1.59455 2 -5 -5 4 17.3987 2.46557 4 -5 5 4 13.5095 1.14868 3 -5 -5 3 59.8500 3.81003 4 -5 -5 3 46.7815 3.06987 2 5 5 -3 45.8259 3.11461 2 -5 5 3 57.4430 2.89990 2 -5 5 3 54.6777 2.76885 2 5 5 -3 60.5283 3.46480 1 -5 5 2 37.8802 2.11906 2 5 5 -2 28.6214 2.43619 2 -5 -5 2 32.0521 3.00864 4 5 5 -2 38.6154 2.79918 1 -5 5 2 36.1472 1.97053 2 5 5 -1 6.72257 1.96248 1 -5 5 1 6.49062 0.91983 2 5 5 -1 6.48927 1.69904 2 -5 5 1 8.88610 1.20165 2 5 5 0 69.2464 3.98376 1 5 5 0 60.8566 3.70786 2 -5 5 0 69.7502 3.39056 2 -5 5 0 64.6533 3.27126 2 5 5 1 2.50917 1.62691 2 -5 5 -1 2.82202 0.81871 2 5 5 1 5.36099 1.80181 1 5 5 2 3.14096 1.61154 2 -5 5 -2 2.37391 0.77236 2 5 5 2 1.77672 1.83757 1 5 5 3 1.16154 1.57626 2 5 5 3 2.55187 1.77022 1 -5 5 -3 2.57088 0.74514 2 5 5 4 10.6046 1.81004 2 -5 5 -4 11.8880 0.92691 2 5 5 4 10.6355 1.94144 1 -5 5 -4 13.3587 1.50346 4 5 5 5 3.60798 1.67394 2 -5 5 -5 2.53232 1.20130 4 5 5 5 3.01125 1.82832 1 -5 5 -6 61.6908 3.08619 4 5 5 6 45.7193 3.22460 2 5 5 6 48.4207 3.37764 1 5 5 7-0.88112 1.69296 2 -5 5 -7 0.62548 1.25458 4 5 5 7 1.61649 1.84378 1 5 5 8 2.43324 1.70014 2 -5 5 -8 2.79327 1.31177 4 5 5 8 3.74208 1.89296 1 -5 5 -9 14.0375 1.57358 4 5 5 9 12.1600 1.91818 2 5 5 10 34.3218 2.69620 2 -5 5 -10 38.0599 2.38980 4 -5 5 -11 0.81943 1.27816 4 5 5 11 0.91358 1.71563 2 -5 5 -12 1.57438 1.28667 4 5 5 12 0.46513 1.73016 2 5 5 13 10.7293 1.94100 2 5 5 13 14.3884 2.08007 1 5 5 14 17.1166 2.10760 1 5 5 14 17.6211 2.14756 2 5 5 15 3.77732 1.76842 1 5 5 15 6.27174 1.91337 2 5 5 16 3.81146 1.78263 1 5 5 16 4.86382 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15 7.58869 1.81645 2 -10 4 14 1.95648 1.71198 2 10 4 -13 6.23299 2.13698 2 -10 4 13 5.66486 1.77333 2 10 4 -12 5.42339 2.19458 2 -10 4 12 5.61494 1.76071 2 -10 4 11 11.8365 1.85664 2 -10 -4 11 9.31335 2.02467 4 10 4 -11 12.6427 2.24627 2 -10 4 10 6.13441 1.78399 2 -10 -4 10 6.19962 1.91900 4 10 4 -10 8.36620 2.19081 2 -10 4 9 19.1515 2.02874 2 10 4 -9 16.4399 2.38711 2 -10 -4 9 17.2127 2.28834 4 10 4 -8 2.27357 2.15792 2 -10 4 8 2.50043 1.62393 2 -10 -4 8 2.41065 1.91325 4 10 4 -7 2.28413 2.21789 2 -10 4 7-1.11091 1.63939 2 -10 -4 7 1.99741 1.98543 4 10 4 -6 18.4300 2.53811 2 -10 4 6 19.1895 1.98369 2 -10 -4 6 18.4701 2.38031 4 10 4 -5 8.89714 2.31125 2 -10 4 5 9.62746 1.70909 2 -10 -4 5 9.69254 2.19973 4 10 4 -4 7.77614 2.34359 2 -10 4 4 9.69077 1.68304 2 -10 -4 4 11.4619 2.22952 4 10 4 -3 22.2457 2.72156 2 -10 -4 3 27.1483 2.61652 4 -10 4 3 25.0194 2.13837 2 -10 -4 2 8.09420 2.09430 4 10 4 -2 4.70543 2.34998 2 -10 4 2 3.91309 1.51626 2 -10 -4 1 9.49015 2.21792 4 10 4 -1 10.0025 2.38280 2 -10 -4 0 2.63519 2.15219 4 10 4 0 3.33499 2.36264 2 -10 -4 -1 6.04073 2.28795 4 10 4 1 3.00563 2.37446 2 -10 -4 -2 1.62636 2.15114 4 10 4 2 0.64957 2.32998 2 10 4 3 4.42081 2.43726 2 10 4 4-0.09326 2.33977 2 10 4 5-0.79506 2.30150 2 10 4 6 1.86275 2.45773 2 10 4 7 9.46112 2.51347 2 10 4 8 2.35219 2.46982 2 10 4 9-1.28202 2.47373 2 -10 5 21 1.25313 1.95525 2 -10 -5 20 1.57501 2.48726 2 -10 5 20-1.92861 1.89931 2 -10 -5 19 4.09710 2.45079 2 -10 5 19 2.29911 1.86137 2 -10 5 18 1.88714 1.84961 2 -10 5 17 5.51960 1.83912 2 -10 5 16 1.16445 1.75070 2 -10 5 15 5.00540 1.81906 2 -10 5 14 1.70736 1.76635 2 10 5 -14 2.78460 2.19808 2 10 5 -13 0.56540 2.09399 2 10 5 -12 2.33262 2.12696 2 -10 -5 11 2.58297 2.08563 4 10 5 -11 2.73487 2.13913 2 -10 -5 10 12.3045 2.34486 4 10 5 -10 12.7587 2.27496 2 -10 -5 9-1.78546 2.11748 4 10 5 -9 2.21612 2.09724 2 10 5 -8 1.07825 2.11949 2 -10 -5 8 3.68511 2.07517 4 10 5 -7 3.73328 2.16925 2 -10 -5 7 6.77697 2.29428 4 10 5 -6 6.01143 2.18970 2 -10 -5 6 5.13202 2.28673 4 10 5 -5 6.31379 2.25604 2 -10 -5 5 7.31727 2.32037 4 10 5 -4 8.62451 2.24395 2 -10 -5 4 9.11200 2.41288 4 10 5 -3 0.08603 2.19114 2 -10 -5 3-1.86759 2.20380 4 10 5 -2 1.48946 2.20136 2 -10 -5 2 0.36709 2.24388 4 10 5 -1 3.56228 2.22339 2 -10 -5 1-3.01266 2.31516 4 10 5 0 2.77957 2.29805 2 -10 -5 0-1.05842 2.33132 4 10 5 1 1.34008 2.30542 2 -10 -5 -1-3.27085 2.40583 4 10 5 2 1.57866 2.31082 2 -10 -5 -2 2.31090 2.36510 4 -10 -5 -3-1.50370 2.49221 4 -10 -5 -4 1.70309 2.42794 4 -11 0 20 3.40356 2.44818 2 -11 0 19-2.94359 2.44729 2 -11 0 18 19.9928 2.83928 2 -11 0 17 1.49189 2.46516 2 -11 0 16 2.47484 2.59807 2 -11 0 15-1.83440 2.67641 2 -11 0 14-0.88274 2.61933 2 -11 0 13-0.62317 2.68873 2 11 0 -7 4.51155 2.13556 2 11 0 -6 0.33786 2.00262 2 11 0 -5-0.03683 1.92203 2 11 0 -4 2.81453 1.99370 2 11 0 -3-0.07201 1.88508 2 11 0 -2 3.46441 1.90889 2 11 0 -1 0.73164 1.87941 2 11 0 0 1.09628 1.82781 2 11 0 1-1.54989 1.87591 2 11 0 2 0.66467 1.86518 2 11 0 3 3.73185 1.84449 2 11 0 4 12.3121 2.05810 2 11 0 5 0.57373 1.77044 2 11 0 6 2.97719 1.80521 2 11 0 7 0.40258 1.75584 2 11 0 8 0.60340 1.73981 2 11 0 9 1.72802 1.73112 2 11 0 10-0.13696 1.78140 2 11 0 11-0.37618 1.78333 2 11 0 12 0.61426 1.79102 2 11 0 13-0.37946 1.82782 2 11 0 14 3.98784 1.89041 2 11 0 15 1.68377 1.81504 2 11 0 16 5.07487 1.88608 2 11 0 17 2.76806 1.89050 2 -11 1 23 0.35767 2.19317 2 -11 1 22 14.6121 2.45759 2 -11 -1 22 16.4282 2.70337 2 -11 -1 21 6.55368 2.51346 2 -11 1 21 4.09363 2.24557 2 -11 1 20 6.24933 2.37739 2 -11 -1 20 3.44747 2.50806 2 -11 1 19-0.09362 2.22267 2 -11 -1 19-0.56475 2.45796 2 -11 -1 18 12.3805 2.64890 2 -11 1 18 15.8082 2.61527 2 -11 1 17-2.19379 2.37681 2 -11 1 16 5.42619 2.47110 2 -11 1 15 27.9689 3.08223 2 -11 1 14 20.0596 2.84422 2 -11 1 13 0.41808 2.48089 2 -11 1 12 15.8388 2.86909 2 -11 1 11 27.4431 3.26231 2 -11 1 10 18.4750 3.03748 2 11 1 -9 21.1689 2.64383 2 11 1 -8 4.36574 2.21601 2 11 1 -7 34.6415 2.99820 2 11 1 -6 3.71936 2.17374 2 11 1 -5 3.21444 2.14481 2 11 1 -4 15.5948 2.31710 2 11 -1 -3 2.39995 1.76475 2 11 1 -3-0.84130 2.10856 2 11 -1 -2 12.1428 1.95205 2 11 1 -2 16.3171 2.35433 2 11 -1 -1 13.1015 1.96522 2 11 1 -1 12.9739 2.31337 2 11 1 0 7.30162 2.12567 2 11 -1 0 6.02862 1.80429 2 11 1 1 6.88910 2.11935 2 11 -1 1 6.91098 1.79080 2 11 1 2 6.11326 2.08428 2 11 -1 2 5.31204 1.70369 2 11 1 3 3.47029 2.01916 2 11 -1 3 0.71486 1.67096 2 11 1 4 14.4854 2.16934 2 11 -1 4 12.6803 1.92398 2 11 1 5 10.7010 2.15535 2 11 -1 5 12.9470 1.90182 2 11 -1 6 8.82341 1.81325 2 11 1 6 9.77913 2.12130 2 11 -1 7 7.04777 1.77015 2 11 1 7 8.03070 2.13570 2 11 -1 8 4.12201 1.72401 2 11 1 8 7.90102 2.02421 2 11 -1 9 1.58986 1.67729 2 11 1 9 1.32489 1.91096 2 11 -1 10-1.43632 1.65110 2 11 1 10 2.66310 1.98925 2 11 1 11 4.51913 1.99172 2 11 -1 11 4.39185 1.74789 2 11 1 12 11.0590 2.09000 2 11 -1 12 10.7834 1.87670 2 11 1 13 0.74913 1.97722 2 11 -1 13 1.26129 1.70246 2 11 1 14 3.02561 2.01315 2 11 -1 14 2.80502 1.82581 2 11 -1 15 0.03283 1.78636 2 11 -1 16 1.12488 1.79355 2 11 -1 17 5.43765 1.92054 2 -11 2 22 2.26666 2.07803 2 -11 2 21 3.81728 2.05778 2 -11 -2 21 3.82230 2.50097 2 -11 2 20 0.84345 2.03153 2 -11 -2 20-1.65514 2.48893 2 -11 2 19-0.04255 2.07216 2 -11 -2 19 2.60266 2.44411 2 -11 2 18-0.47522 2.14004 2 -11 -2 18 2.11500 2.49143 2 -11 2 17 1.61461 2.08030 2 -11 -2 17 5.21392 2.54004 2 -11 2 16-1.58526 2.16127 2 -11 2 15 5.65344 2.23707 2 -11 2 14 1.69166 2.23481 2 -11 2 13 0.13813 2.23577 2 -11 2 12-1.29824 2.27399 2 -11 2 11 1.12999 2.38170 2 -11 2 10 0.33697 2.40485 2 -11 2 9 15.1005 2.70586 2 -11 2 8 4.60211 2.52643 2 -11 2 7 2.44118 2.56138 2 -11 2 6 3.99543 2.59803 2 -11 -2 5 5.58956 1.89282 4 11 2 -5-0.88099 2.28300 2 -11 -2 4 9.23991 2.01348 4 11 2 -4 10.1380 2.46670 2 -11 -2 3 3.11553 1.80563 4 11 2 -3 3.81643 2.32137 2 -11 -2 2-0.04475 1.83037 4 11 2 -2 2.29427 2.19954 2 -11 -2 1-0.33159 1.89661 4 11 2 -1-0.70331 2.24518 2 -11 -2 0-0.68762 1.94363 4 11 2 0-0.52365 2.23157 2 11 2 1-0.12949 2.22636 2 11 -2 1 1.54230 1.57813 2 11 2 2 4.80660 2.28177 2 11 -2 2 5.66331 1.64344 2 11 2 3 8.72614 2.31475 2 11 -2 3 5.62363 1.64245 2 11 -2 4 4.52432 1.61253 2 11 2 4 3.26690 2.30699 2 11 2 5 0.08765 2.23387 2 11 -2 5 2.49332 1.56199 2 11 -2 6 0.52297 1.53907 2 11 2 6-1.99907 2.28521 2 11 2 7 6.54496 2.24622 2 11 -2 7 3.38257 1.61505 2 11 -2 8 10.2364 1.78800 2 11 2 8 13.4528 2.43937 2 11 -2 9-0.76888 1.60188 2 11 2 9-0.04243 2.12805 2 11 2 10 2.86729 2.18217 2 11 -2 10 2.32589 1.65922 2 -11 3 21 7.42696 2.03726 2 -11 3 20 1.04724 1.95930 2 -11 3 19 1.59149 1.98200 2 -11 3 18 0.93298 1.95966 2 -11 -3 18 3.91471 2.52547 2 -11 3 17 2.66961 1.95817 2 -11 3 16 8.49352 2.06124 2 -11 3 15 2.94542 1.95517 2 -11 3 14 4.02837 2.02311 2 -11 3 13 6.45011 2.07552 2 11 3 -12 4.02912 2.32131 2 -11 3 12 3.78034 2.04431 2 11 3 -11 13.6577 2.52199 2 -11 3 11 14.4199 2.27588 2 11 3 -10 7.95587 2.47142 2 -11 -3 10 9.53138 2.00645 4 -11 3 10 10.6860 2.22103 2 -11 3 9 14.7947 2.37703 2 11 3 -9 14.0391 2.51554 2 -11 -3 9 15.9565 2.14799 4 11 3 -8 7.86781 2.40078 2 -11 3 8 7.97490 2.21392 2 -11 -3 8 8.27975 1.97428 4 11 3 -7 0.45118 2.25239 2 -11 3 7 1.50389 2.05088 2 -11 -3 7 4.95438 1.93186 4 11 3 -6 2.64553 2.32838 2 -11 3 6 1.31030 2.06582 2 -11 -3 6 4.11991 1.95668 4 11 3 -5 10.8190 2.48604 2 -11 3 5 9.92351 2.23125 2 -11 -3 5 6.58022 2.02232 4 -11 -3 4 13.9480 2.27416 4 11 3 -4 13.9914 2.60294 2 -11 3 4 19.9177 2.42733 2 -11 -3 3 4.15469 1.94853 4 11 3 -3 7.76505 2.48421 2 -11 3 3 1.57089 2.09753 2 -11 -3 2 4.46816 2.07584 4 -11 3 2 4.27566 2.16958 2 -11 -3 1 6.73225 2.11900 4 -11 3 1 3.93628 2.10999 2 -11 -3 0 1.24415 2.11726 4 -11 -3 -1 2.27454 2.21320 4 -11 -3 -2 2.88424 2.19151 4 11 3 5 4.16476 2.47319 2 -11 4 19 4.82421 1.97847 2 -11 4 18 2.62017 1.89629 2 -11 4 17 0.56706 1.88916 2 -11 4 16 7.78534 1.98413 2 -11 4 15 7.27255 1.90298 2 -11 4 14 2.84396 1.90661 2 -11 4 13 10.1014 1.94017 2 -11 4 12 3.36163 1.84767 2 11 4 -12-2.67413 2.29931 2 -11 -4 11 2.68344 1.96453 4 -11 4 11 5.65902 1.85361 2 11 4 -11 5.26369 2.32418 2 11 4 -10-0.08966 2.25607 2 -11 -4 10 2.33134 2.00421 4 -11 4 10 1.93266 1.77830 2 11 4 -9 5.02476 2.29661 2 -11 4 9 5.90843 1.84163 2 -11 -4 9 0.81453 2.05040 4 -11 4 8 3.66682 1.80973 2 -11 -4 8-0.25917 2.00010 4 11 4 -8 1.70918 2.25636 2 -11 4 7 3.57052 1.76394 2 -11 -4 7 4.87611 2.08555 4 11 4 -7 3.92021 2.40563 2 -11 4 6 1.63365 1.71098 2 11 4 -6 1.83502 2.40076 2 -11 -4 6 4.38013 2.11980 4 11 4 -5-0.04771 2.44720 2 -11 -4 5 4.53511 2.14977 4 11 4 -4 5.05766 2.39412 2 -11 -4 4 5.43803 2.21794 4 11 4 -3 1.63531 2.39005 2 -11 -4 3 0.56992 2.17918 4 -11 -4 2 2.82181 2.17137 4 -11 -4 1 0.79839 2.15146 4 -11 -4 0 3.51034 2.27530 4 -11 -4 -1 2.17499 2.34869 4 -11 -4 -2 2.83116 2.40043 4 -11 -4 -3 3.76549 2.40027 4 -11 -4 -4 3.44956 2.34461 4 -11 -5 11 7.94699 2.34727 4 -11 -5 10 5.32541 2.37610 4 -11 -5 9 4.12337 2.16336 4 -11 -5 8 3.49863 2.21306 4 -11 -5 7 5.98983 2.28987 4 -11 -5 6 8.96348 2.44110 4 -11 -5 5 3.86405 2.37595 4 -11 -5 4 20.1502 2.78695 4 -11 -5 3 5.82449 2.45481 4 -11 -5 2 13.4818 2.67900 4 -12 0 15 10.9007 3.01057 2 -12 0 14 4.99706 3.01730 2 -12 0 13 9.40832 3.19834 2 -12 0 12 21.6884 3.45409 2 12 0 -6 3.13836 2.11906 2 12 0 -5 6.71390 2.12289 2 12 0 -4-0.19499 1.98992 2 12 0 -3 0.19290 1.96341 2 12 0 -2 4.11246 2.00137 2 12 0 -1 3.66505 1.89477 2 12 0 0 1.21224 1.91501 2 12 0 1 7.54371 2.03655 2 12 0 2 5.73479 1.99217 2 12 0 3 4.89527 1.92376 2 12 0 4-1.14317 1.89444 2 12 0 5 0.40081 1.87958 2 12 0 6 1.37829 1.89110 2 12 0 7 6.27266 1.96080 2 12 0 8 1.57218 1.91204 2 12 0 9 1.46107 1.85604 2 -12 1 16 4.34176 2.74082 2 -12 1 15 2.85171 2.76584 2 -12 1 14 5.71317 2.92509 2 -12 1 13 9.51220 2.98457 2 -12 1 12 1.11913 2.88445 2 -12 1 11-0.82405 2.89526 2 -12 1 10 0.12918 3.01243 2 -12 1 9 3.74591 3.07514 2 12 1 -8 5.46748 2.34760 2 12 1 -7 1.90756 2.21733 2 12 1 -6-0.13161 2.27025 2 12 1 -5-1.52245 2.21110 2 12 1 -4 2.48252 2.17761 2 12 1 -3 2.23396 2.15063 2 12 1 -2 4.95818 2.18964 2 12 -1 -2 6.65155 1.93565 2 12 1 -1 2.24576 2.18743 2 12 -1 -1 4.82424 1.84364 2 12 1 0 1.93571 2.09438 2 12 -1 0 2.94828 1.79807 2 12 -1 1 0.80593 1.79347 2 12 1 1 0.16819 2.17314 2 12 -1 2-0.69912 1.75344 2 12 1 2-1.98740 2.15826 2 12 -1 3 4.09055 1.82580 2 12 1 3 5.29817 2.14088 2 12 1 4 0.44697 2.07084 2 12 -1 4 1.27007 1.74419 2 12 1 5 1.76435 2.02761 2 12 -1 5-2.22152 1.76787 2 12 -1 6 1.60300 1.81193 2 12 -1 7-2.43623 1.83729 2 12 -1 8 2.28189 1.82412 2 12 -1 9-0.03344 1.77545 2 12 -1 10 3.55895 1.80981 2 12 -1 11 1.84893 1.82516 2 12 -1 12 0.23657 1.80325 2 12 -1 13-0.70492 1.84217 2 -12 2 16 4.66333 2.52614 2 -12 2 15 10.8309 2.73479 2 -12 2 14 1.06760 2.60400 2 -12 2 13 1.50631 2.71032 2 -12 2 12 15.7149 2.92936 2 -12 2 11 28.6889 3.30401 2 -12 2 10 9.61752 2.86034 2 -12 2 9 9.33558 2.92228 2 -12 2 8 8.68336 2.95309 2 -12 2 7 5.10277 2.90483 2 -12 2 6 5.89409 2.98814 2 -12 2 5 8.90609 3.02994 2 12 -2 2 11.4436 1.89428 2 12 -2 3 13.8337 1.92414 2 12 -2 4 2.13699 1.67575 2 12 -2 5 1.21192 1.66274 2 12 -2 6 2.35484 1.65089 2 -12 3 15-0.13231 2.22448 2 -12 3 14-0.35503 2.26016 2 -12 3 13 2.32630 2.31063 2 -12 3 12 6.12853 2.34543 2 -12 3 11 4.20829 2.34092 2 -12 3 10 2.03712 2.31179 2 -12 3 9 2.23428 2.30216 2 -12 3 8 3.28038 2.32339 2 -12 3 7 8.36430 2.43493 2 -12 3 6 9.30025 2.44230 2 -12 3 5 5.26005 2.36478 2 -12 3 4 3.90247 2.35016 2 -12 3 3 2.60132 2.25761 2 -12 3 2 11.3605 2.49144 2 -12 3 1 5.26688 2.35025 2 -12 4 13 4.31526 2.02688 2 -12 4 12 2.68902 1.96674 2 -12 -4 2 2.89223 2.48442 4 -12 -4 1 1.45584 2.45025 4 -12 -4 0 9.74399 2.63908 4 -12 -4 -1-1.22608 2.51214 4 -12 -4 -2-3.38896 2.53747 4 0 0 0 0.00 0.00 0 TITL ICIQ 50a-21 JLY-2021-02LT 20210316 in P2(1)/m REM P2(1)/m (#11 in standard setting) CELL 0.71073 10.377856 7.297374 33.469754 90.0000 98.7968 90.0000 ZERR 8.00 0.000579 0.000417 0.002485 0.0000 0.0061 0.0000 LATT 1 SYMM -x, y+1/2,-z SFAC C H O Cl UNIT 224.00 144.00 24.00 32.00 TREF HKLF 4 END ; _shelx_hkl_checksum 73435 ####################################################################### # # 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_JLY-202101 _database_code_depnum_ccdc_archive 'CCDC 2092730' loop_ _audit_author_name _audit_author_address 'Liyin ljiang' ;the Institute of Chemical Research of Catalonia Spain ; _audit_update_record ; 2021-06-28 deposited with the CCDC. 2022-03-14 downloaded from the CCDC. ; _audit_creation_method SHELXL-2018/3 _shelx_SHELXL_version_number 2018/3 _chemical_name_systematic ? _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C26 H39 F O4' _chemical_formula_weight 434.57 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' O O 0.0106 0.0060 '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' _space_group_crystal_system monoclinic _space_group_IT_number 5 _space_group_name_H-M_alt 'C 2' _space_group_name_Hall 'C 2y' _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' 'x+1/2, y+1/2, z' '-x+1/2, y+1/2, -z' _cell_length_a 14.7648(15) _cell_length_b 6.0876(5) _cell_length_c 26.974(2) _cell_angle_alpha 90 _cell_angle_beta 96.281(9) _cell_angle_gamma 90 _cell_volume 2409.9(4) _cell_formula_units_Z 4 _cell_measurement_temperature 100(2) _cell_measurement_reflns_used 1425 _cell_measurement_theta_min 3.0440 _cell_measurement_theta_max 28.5220 _exptl_crystal_description Block _exptl_crystal_colour ? _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_density_diffrn 1.198 _exptl_crystal_F_000 944 _exptl_transmission_factor_min ? _exptl_transmission_factor_max ? _exptl_crystal_size_max 0.200 _exptl_crystal_size_mid 0.100 _exptl_crystal_size_min 0.050 _exptl_absorpt_coefficient_mu 0.084 _shelx_estimated_absorpt_T_min 0.983 _shelx_estimated_absorpt_T_max 0.996 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.69427 _exptl_absorpt_correction_T_max 1.00000 _exptl_absorpt_process_details ; CrysAlisPro 1.171.40.35a (Rigaku Oxford Diffraction, 2018) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. ; _exptl_absorpt_special_details ? _diffrn_ambient_temperature 100(2) _diffrn_radiation_wavelength 0.71075 _diffrn_radiation_type MoK\a _diffrn_source 'Microfocus rotating anode X-ray tube' _diffrn_source_type 'Rigaku MicroMax-007HF' _diffrn_source_power 50 _diffrn_source_current 24 _diffrn_source_size '0.2 mm x 0.2 mm fine focus' _diffrn_radiation_monochromator 'Confocal Max Flux optic' _diffrn_detector_type 'PILATUS 200K' _diffrn_measurement_device_type '1/4chi goniometer' _diffrn_measurement_method ; Fullsphere data collection, phi and omega scans ; _diffrn_detector_area_resol_mean 5.8140 _diffrn_reflns_number 8906 _diffrn_reflns_av_unetI/netI 0.0513 _diffrn_reflns_av_R_equivalents 0.0296 _diffrn_reflns_limit_h_min -18 _diffrn_reflns_limit_h_max 19 _diffrn_reflns_limit_k_min -7 _diffrn_reflns_limit_k_max 8 _diffrn_reflns_limit_l_min -25 _diffrn_reflns_limit_l_max 34 _diffrn_reflns_theta_min 2.776 _diffrn_reflns_theta_max 28.574 _diffrn_reflns_theta_full 25.242 _diffrn_measured_fraction_theta_max 0.893 _diffrn_measured_fraction_theta_full 0.999 _diffrn_reflns_Laue_measured_fraction_max 0.893 _diffrn_reflns_Laue_measured_fraction_full 0.999 _diffrn_reflns_point_group_measured_fraction_max 0.776 _diffrn_reflns_point_group_measured_fraction_full 0.922 _reflns_number_total 4779 _reflns_number_gt 3878 _reflns_threshold_expression 'I > 2\s(I)' _reflns_Friedel_coverage 0.594 _reflns_Friedel_fraction_max 0.637 _reflns_Friedel_fraction_full 0.827 _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 'CrysAlisPro 1.171.39.12b (Rigaku OD, 2015)' _computing_cell_refinement 'CrysAlisPro 1.171.39.12b (Rigaku OD, 2015)' _computing_data_reduction 'CrysAlisPro 1.171.39.12b (Rigaku OD, 2015)' _computing_structure_solution Sir2019 _computing_structure_refinement 'SHELXL-2018/3 (Sheldrick, 2018)' _computing_molecular_graphics 'shelXle (H\"ubschle, Sheldrick and Dittirch, 2011)' _computing_publication_material 'SHELXL-2018/3 (Sheldrick, 2018)' _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^)+(0.0583P)^2^+1.8686P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary ? _atom_sites_solution_secondary ? _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment constr _refine_ls_extinction_method none _refine_ls_extinction_coef . _refine_ls_abs_structure_details ; Flack x determined using 1326 quotients [(I+)-(I-)]/[(I+)+(I-)] (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259). ; _refine_ls_abs_structure_Flack 0.5(6) _chemical_absolute_configuration ad _refine_ls_number_reflns 4779 _refine_ls_number_parameters 294 _refine_ls_number_restraints 23 _refine_ls_R_factor_all 0.0662 _refine_ls_R_factor_gt 0.0493 _refine_ls_wR_factor_ref 0.1231 _refine_ls_wR_factor_gt 0.1153 _refine_ls_goodness_of_fit_ref 1.028 _refine_ls_restrained_S_all 1.030 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_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 0.75782(12) 0.6322(3) 0.88153(7) 0.0313(5) Uani 1 1 d . . . . . O1 O 0.95157(17) 0.1499(5) 0.84597(9) 0.0401(6) Uani 1 1 d . . . . . O2 O 0.99797(17) 0.1436(5) 0.92772(9) 0.0415(7) Uani 1 1 d . . . . . O3 O 0.42056(14) 0.8504(4) 0.55570(8) 0.0240(5) Uani 1 1 d . . . . . O4 O 0.28812(14) 1.0240(4) 0.56373(8) 0.0292(6) Uani 1 1 d . . . . . C1 C 0.8122(2) 0.4753(6) 0.85873(12) 0.0251(7) Uani 1 1 d . . . . . C2 C 0.8533(2) 0.5985(6) 0.81797(12) 0.0250(7) Uani 1 1 d . . . . . H2A H 0.896170 0.500922 0.802696 0.030 Uiso 1 1 calc R U . . . H2AB H 0.888249 0.725947 0.832669 0.030 Uiso 1 1 calc R U . . . C3 C 0.7798(2) 0.6795(5) 0.77742(12) 0.0231(7) Uani 1 1 d . . . . . H3A H 0.809922 0.752209 0.750779 0.028 Uiso 1 1 calc R U . . . H3AB H 0.741843 0.790954 0.792120 0.028 Uiso 1 1 calc R U . . . C4 C 0.71719(19) 0.4958(5) 0.75387(11) 0.0196(7) Uani 1 1 d . . . . . C5 C 0.63635(19) 0.5968(5) 0.71931(11) 0.0165(6) Uani 1 1 d . . . . . H5 H 0.605340 0.701727 0.740449 0.020 Uiso 1 1 calc R U . . . C6 C 0.6661(2) 0.7325(5) 0.67575(11) 0.0213(7) Uani 1 1 d . . . . . H6A H 0.698648 0.635746 0.654099 0.026 Uiso 1 1 calc R U . . . H6AB H 0.709100 0.848338 0.689174 0.026 Uiso 1 1 calc R U . . . C7 C 0.5847(2) 0.8405(5) 0.64427(11) 0.0204(7) Uani 1 1 d . . . . . H7A H 0.556097 0.949714 0.664864 0.024 Uiso 1 1 calc R U . . . H7AB H 0.606591 0.918732 0.615705 0.024 Uiso 1 1 calc R U . . . C8 C 0.51363(19) 0.6691(5) 0.62485(11) 0.0188(6) Uani 1 1 d . . . . . C9 C 0.4200(2) 0.7587(6) 0.60560(11) 0.0202(7) Uani 1 1 d . . . . . H9 H 0.402811 0.876380 0.628669 0.024 Uiso 1 1 calc R U . . . C10 C 0.3539(2) 0.5631(6) 0.60743(12) 0.0253(7) Uani 1 1 d . . . . . H10A H 0.344455 0.487670 0.574757 0.030 Uiso 1 1 calc R U . . . H10B H 0.294151 0.612740 0.616717 0.030 Uiso 1 1 calc R U . . . C11 C 0.4021(2) 0.4088(6) 0.64814(12) 0.0267(7) Uani 1 1 d . . . . . H11A H 0.361630 0.375459 0.674104 0.032 Uiso 1 1 calc R U . . . H11B H 0.420645 0.269304 0.633309 0.032 Uiso 1 1 calc R U . . . C12 C 0.48560(18) 0.5407(5) 0.66996(11) 0.0178(6) Uani 1 1 d . . . . . H12 H 0.462468 0.652547 0.692641 0.021 Uiso 1 1 calc R U . . . C13 C 0.56407(19) 0.4236(5) 0.70058(11) 0.0181(6) Uani 1 1 d . . . . . H13 H 0.592086 0.316721 0.678578 0.022 Uiso 1 1 calc R U . . . C14 C 0.5294(2) 0.2976(5) 0.74396(12) 0.0205(7) Uani 1 1 d . . . . . H14A H 0.493382 0.398049 0.763017 0.025 Uiso 1 1 calc R U . . . H14B H 0.488682 0.177365 0.730529 0.025 Uiso 1 1 calc R U . . . C15 C 0.6078(2) 0.2012(5) 0.77892(12) 0.0236(7) Uani 1 1 d . . . . . H15A H 0.583372 0.130671 0.807747 0.028 Uiso 1 1 calc R U . . . H15B H 0.639464 0.087413 0.761056 0.028 Uiso 1 1 calc R U . . . C16 C 0.6749(2) 0.3806(5) 0.79733(11) 0.0205(7) Uani 1 1 d . . . . . H16 H 0.639269 0.495013 0.813371 0.025 Uiso 1 1 calc R U . . . C17 C 0.7471(2) 0.2945(5) 0.83798(12) 0.0233(7) Uani 1 1 d . . . . . H17A H 0.716259 0.231130 0.865488 0.028 Uiso 1 1 calc R U . . . H17B H 0.782408 0.175986 0.823933 0.028 Uiso 1 1 calc R U . . . C18 C 0.8814(2) 0.3924(6) 0.90035(12) 0.0276(8) Uani 1 1 d . . . . . C19 C 0.9459(2) 0.2176(6) 0.88733(13) 0.0302(8) Uani 1 1 d . . . . . C20 C 1.0625(3) -0.0277(8) 0.91846(15) 0.0473(11) Uani 1 1 d D U . . . H20A H 1.108694 0.033387 0.898293 0.057 Uiso 0.4 1 calc R U P A 1 H20B H 1.029992 -0.147111 0.898965 0.057 Uiso 0.4 1 calc R U P A 1 H20C H 1.094476 0.008373 0.889093 0.057 Uiso 0.6 1 calc R U P B 2 H20D H 1.031418 -0.171026 0.912748 0.057 Uiso 0.6 1 calc R U P B 2 C21 C 1.1096(13) -0.121(3) 0.9660(6) 0.060(4) Uani 0.4 1 d D U P C 1 H21A H 1.155789 -0.227391 0.958156 0.091 Uiso 0.4 1 calc R U P C 1 H21B H 1.064853 -0.194277 0.984586 0.091 Uiso 0.4 1 calc R U P C 1 H21C H 1.139046 -0.002004 0.986300 0.091 Uiso 0.4 1 calc R U P C 1 C21' C 1.1294(8) -0.0330(17) 0.9663(3) 0.050(2) Uani 0.6 1 d D U P C 2 H21D H 1.173132 -0.152894 0.964150 0.074 Uiso 0.6 1 calc R U P C 2 H21E H 1.095666 -0.056382 0.995134 0.074 Uiso 0.6 1 calc R U P C 2 H21F H 1.162226 0.107076 0.970007 0.074 Uiso 0.6 1 calc R U P C 2 C22 C 0.8837(3) 0.4657(7) 0.94668(14) 0.0432(10) Uani 1 1 d . . . . . H22A H 0.926639 0.407131 0.972058 0.052 Uiso 1 1 calc R U . . . H22B H 0.842435 0.576829 0.954548 0.052 Uiso 1 1 calc R U . . . C23 C 0.7737(2) 0.3374(6) 0.72503(12) 0.0245(7) Uani 1 1 d . . . . . H23A H 0.733100 0.230604 0.706778 0.037 Uiso 1 1 calc R U . . . H23B H 0.817917 0.259957 0.748551 0.037 Uiso 1 1 calc R U . . . H23C H 0.806102 0.421044 0.701401 0.037 Uiso 1 1 calc R U . . . C24 C 0.5505(2) 0.5197(6) 0.58534(12) 0.0242(7) Uani 1 1 d . . . . . H24A H 0.505767 0.404892 0.575256 0.036 Uiso 1 1 calc R U . . . H24B H 0.607741 0.451722 0.599526 0.036 Uiso 1 1 calc R U . . . H24C H 0.561520 0.607813 0.556180 0.036 Uiso 1 1 calc R U . . . C25 C 0.3496(2) 0.9806(5) 0.53996(12) 0.0238(7) Uani 1 1 d . . . . . C26 C 0.3564(2) 1.0586(7) 0.48759(13) 0.0396(10) Uani 1 1 d . . . . . H26A H 0.332329 1.208312 0.483696 0.059 Uiso 1 1 calc R U . . . H26B H 0.321042 0.960843 0.463968 0.059 Uiso 1 1 calc R U . . . H26C H 0.420402 1.057410 0.480982 0.059 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 0.0303(10) 0.0313(11) 0.0315(10) -0.0046(9) -0.0005(8) 0.0051(9) O1 0.0355(14) 0.0485(16) 0.0342(14) -0.0064(13) -0.0055(11) 0.0130(13) O2 0.0332(13) 0.0584(17) 0.0331(13) 0.0104(14) 0.0041(10) 0.0158(14) O3 0.0223(11) 0.0282(13) 0.0212(11) 0.0023(10) 0.0005(9) 0.0040(10) O4 0.0211(11) 0.0339(13) 0.0321(13) 0.0011(11) 0.0010(10) 0.0052(11) C1 0.0220(16) 0.0246(18) 0.0278(17) -0.0014(15) -0.0015(13) 0.0038(14) C2 0.0166(15) 0.0256(19) 0.0314(17) 0.0008(15) -0.0040(13) -0.0040(14) C3 0.0186(15) 0.0215(17) 0.0283(16) 0.0017(14) -0.0016(12) -0.0028(14) C4 0.0152(14) 0.0176(16) 0.0253(16) 0.0003(13) -0.0008(12) -0.0011(13) C5 0.0120(14) 0.0138(15) 0.0232(15) -0.0011(12) 0.0001(11) -0.0006(12) C6 0.0181(15) 0.0191(16) 0.0260(16) 0.0005(14) -0.0004(12) -0.0048(13) C7 0.0201(15) 0.0172(16) 0.0238(16) 0.0010(13) 0.0017(12) -0.0039(13) C8 0.0150(14) 0.0182(16) 0.0234(15) -0.0008(13) 0.0025(11) 0.0009(13) C9 0.0178(15) 0.0234(16) 0.0195(15) -0.0010(13) 0.0028(12) 0.0026(13) C10 0.0192(15) 0.0291(18) 0.0266(16) 0.0000(14) -0.0018(12) -0.0021(14) C11 0.0189(16) 0.0262(18) 0.0337(18) 0.0029(15) -0.0023(13) -0.0075(14) C12 0.0098(13) 0.0173(16) 0.0262(16) 0.0002(13) 0.0018(11) -0.0019(13) C13 0.0127(14) 0.0167(15) 0.0249(15) -0.0014(13) 0.0023(11) -0.0028(12) C14 0.0153(15) 0.0178(17) 0.0282(16) 0.0015(13) 0.0011(12) -0.0038(13) C15 0.0215(16) 0.0214(17) 0.0278(17) 0.0055(14) 0.0017(13) -0.0037(14) C16 0.0162(15) 0.0209(17) 0.0239(16) 0.0014(14) -0.0005(11) 0.0006(13) C17 0.0209(16) 0.0226(18) 0.0260(16) 0.0025(14) 0.0009(13) -0.0007(14) C18 0.0206(16) 0.031(2) 0.0294(18) 0.0001(16) -0.0035(13) -0.0006(15) C19 0.0213(17) 0.037(2) 0.0314(19) 0.0048(16) -0.0019(14) -0.0031(16) C20 0.038(2) 0.058(3) 0.046(2) 0.012(2) 0.0076(17) 0.020(2) C21 0.066(7) 0.069(9) 0.048(5) 0.031(6) 0.013(5) 0.030(7) C21' 0.054(5) 0.061(6) 0.036(3) 0.028(4) 0.017(3) 0.030(5) C22 0.037(2) 0.053(3) 0.036(2) -0.004(2) -0.0108(16) 0.013(2) C23 0.0181(15) 0.0244(18) 0.0310(17) 0.0002(15) 0.0032(13) 0.0036(14) C24 0.0220(16) 0.0251(17) 0.0254(16) -0.0042(14) 0.0021(12) 0.0027(15) C25 0.0131(14) 0.0251(18) 0.0322(17) -0.0019(15) -0.0025(13) -0.0013(14) C26 0.0329(19) 0.054(3) 0.0309(19) 0.0099(19) 0.0000(15) 0.0101(19) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag F1 C1 1.429(4) . ? O1 C19 1.201(4) . ? O2 C19 1.341(4) . ? O2 C20 1.453(5) . ? O3 C25 1.345(4) . ? O3 C9 1.458(4) . ? O4 C25 1.197(4) . ? C1 C2 1.513(5) . ? C1 C18 1.519(4) . ? C1 C17 1.526(5) . ? C2 C3 1.535(4) . ? C2 H2A 0.9900 . ? C2 H2AB 0.9900 . ? C3 C4 1.543(4) . ? C3 H3A 0.9900 . ? C3 H3AB 0.9900 . ? C4 C23 1.541(4) . ? C4 C16 1.554(4) . ? C4 C5 1.558(4) . ? C5 C6 1.539(4) . ? C5 C13 1.546(4) . ? C5 H5 1.0000 . ? C6 C7 1.542(4) . ? C6 H6A 0.9900 . ? C6 H6AB 0.9900 . ? C7 C8 1.530(4) . ? C7 H7A 0.9900 . ? C7 H7AB 0.9900 . ? C8 C9 1.523(4) . ? C8 C12 1.540(4) . ? C8 C24 1.545(4) . ? C9 C10 1.544(5) . ? C9 H9 1.0000 . ? C10 C11 1.557(4) . ? C10 H10A 0.9900 . ? C10 H10B 0.9900 . ? C11 C12 1.534(4) . ? C11 H11A 0.9900 . ? C11 H11B 0.9900 . ? C12 C13 1.524(4) . ? C12 H12 1.0000 . ? C13 C14 1.533(4) . ? C13 H13 1.0000 . ? C14 C15 1.528(4) . ? C14 H14A 0.9900 . ? C14 H14B 0.9900 . ? C15 C16 1.522(4) . ? C15 H15A 0.9900 . ? C15 H15B 0.9900 . ? C16 C17 1.535(4) . ? C16 H16 1.0000 . ? C17 H17A 0.9900 . ? C17 H17B 0.9900 . ? C18 C22 1.324(5) . ? C18 C19 1.496(5) . ? C20 C21 1.502(11) . ? C20 C21' 1.537(8) . ? C20 H20A 0.9900 . ? C20 H20B 0.9900 . ? C20 H20C 0.9900 . ? C20 H20D 0.9900 . ? C21 H21A 0.9800 . ? C21 H21B 0.9800 . ? C21 H21C 0.9800 . ? C21' H21D 0.9800 . ? C21' H21E 0.9800 . ? C21' H21F 0.9800 . ? C22 H22A 0.9500 . ? C22 H22B 0.9500 . ? C23 H23A 0.9800 . ? C23 H23B 0.9800 . ? C23 H23C 0.9800 . ? C24 H24A 0.9800 . ? C24 H24B 0.9800 . ? C24 H24C 0.9800 . ? C25 C26 1.504(5) . ? C26 H26A 0.9800 . ? C26 H26B 0.9800 . ? C26 H26C 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 C19 O2 C20 115.5(3) . . ? C25 O3 C9 115.8(2) . . ? F1 C1 C2 105.7(3) . . ? F1 C1 C18 105.6(2) . . ? C2 C1 C18 114.2(3) . . ? F1 C1 C17 106.2(2) . . ? C2 C1 C17 112.2(3) . . ? C18 C1 C17 112.2(3) . . ? C1 C2 C3 111.6(3) . . ? C1 C2 H2A 109.3 . . ? C3 C2 H2A 109.3 . . ? C1 C2 H2AB 109.3 . . ? C3 C2 H2AB 109.3 . . ? H2A C2 H2AB 108.0 . . ? C2 C3 C4 113.9(3) . . ? C2 C3 H3A 108.8 . . ? C4 C3 H3A 108.8 . . ? C2 C3 H3AB 108.8 . . ? C4 C3 H3AB 108.8 . . ? H3A C3 H3AB 107.7 . . ? C23 C4 C3 109.2(2) . . ? C23 C4 C16 112.5(3) . . ? C3 C4 C16 106.8(2) . . ? C23 C4 C5 111.5(2) . . ? C3 C4 C5 110.2(2) . . ? C16 C4 C5 106.6(2) . . ? C6 C5 C13 111.2(2) . . ? C6 C5 C4 113.9(2) . . ? C13 C5 C4 112.5(2) . . ? C6 C5 H5 106.2 . . ? C13 C5 H5 106.2 . . ? C4 C5 H5 106.2 . . ? C5 C6 C7 112.2(2) . . ? C5 C6 H6A 109.2 . . ? C7 C6 H6A 109.2 . . ? C5 C6 H6AB 109.2 . . ? C7 C6 H6AB 109.2 . . ? H6A C6 H6AB 107.9 . . ? C8 C7 C6 111.2(3) . . ? C8 C7 H7A 109.4 . . ? C6 C7 H7A 109.4 . . ? C8 C7 H7AB 109.4 . . ? C6 C7 H7AB 109.4 . . ? H7A C7 H7AB 108.0 . . ? C9 C8 C7 115.8(3) . . ? C9 C8 C12 98.0(2) . . ? C7 C8 C12 108.0(2) . . ? C9 C8 C24 110.5(2) . . ? C7 C8 C24 110.9(2) . . ? C12 C8 C24 113.1(3) . . ? O3 C9 C8 110.8(2) . . ? O3 C9 C10 113.1(2) . . ? C8 C9 C10 105.5(3) . . ? O3 C9 H9 109.1 . . ? C8 C9 H9 109.1 . . ? C10 C9 H9 109.1 . . ? C9 C10 C11 104.2(2) . . ? C9 C10 H10A 110.9 . . ? C11 C10 H10A 110.9 . . ? C9 C10 H10B 110.9 . . ? C11 C10 H10B 110.9 . . ? H10A C10 H10B 108.9 . . ? C12 C11 C10 103.9(2) . . ? C12 C11 H11A 111.0 . . ? C10 C11 H11A 111.0 . . ? C12 C11 H11B 111.0 . . ? C10 C11 H11B 111.0 . . ? H11A C11 H11B 109.0 . . ? C13 C12 C11 119.6(3) . . ? C13 C12 C8 114.3(2) . . ? C11 C12 C8 103.7(2) . . ? C13 C12 H12 106.1 . . ? C11 C12 H12 106.1 . . ? C8 C12 H12 106.1 . . ? C12 C13 C14 110.5(2) . . ? C12 C13 C5 108.3(2) . . ? C14 C13 C5 111.6(2) . . ? C12 C13 H13 108.8 . . ? C14 C13 H13 108.8 . . ? C5 C13 H13 108.8 . . ? C15 C14 C13 111.7(2) . . ? C15 C14 H14A 109.3 . . ? C13 C14 H14A 109.3 . . ? C15 C14 H14B 109.3 . . ? C13 C14 H14B 109.3 . . ? H14A C14 H14B 107.9 . . ? C16 C15 C14 110.4(3) . . ? C16 C15 H15A 109.6 . . ? C14 C15 H15A 109.6 . . ? C16 C15 H15B 109.6 . . ? C14 C15 H15B 109.6 . . ? H15A C15 H15B 108.1 . . ? C15 C16 C17 111.4(3) . . ? C15 C16 C4 112.3(2) . . ? C17 C16 C4 112.9(2) . . ? C15 C16 H16 106.6 . . ? C17 C16 H16 106.6 . . ? C4 C16 H16 106.6 . . ? C1 C17 C16 112.1(3) . . ? C1 C17 H17A 109.2 . . ? C16 C17 H17A 109.2 . . ? C1 C17 H17B 109.2 . . ? C16 C17 H17B 109.2 . . ? H17A C17 H17B 107.9 . . ? C22 C18 C19 120.7(3) . . ? C22 C18 C1 122.1(3) . . ? C19 C18 C1 117.2(3) . . ? O1 C19 O2 123.2(3) . . ? O1 C19 C18 125.0(3) . . ? O2 C19 C18 111.8(3) . . ? O2 C20 C21 112.1(9) . . ? O2 C20 C21' 104.1(6) . . ? O2 C20 H20A 109.2 . . ? C21 C20 H20A 109.2 . . ? O2 C20 H20B 109.2 . . ? C21 C20 H20B 109.2 . . ? H20A C20 H20B 107.9 . . ? O2 C20 H20C 110.9 . . ? C21' C20 H20C 110.9 . . ? O2 C20 H20D 110.9 . . ? C21' C20 H20D 110.9 . . ? H20C C20 H20D 108.9 . . ? C20 C21 H21A 109.5 . . ? C20 C21 H21B 109.5 . . ? H21A C21 H21B 109.5 . . ? C20 C21 H21C 109.5 . . ? H21A C21 H21C 109.5 . . ? H21B C21 H21C 109.5 . . ? C20 C21' H21D 109.5 . . ? C20 C21' H21E 109.5 . . ? H21D C21' H21E 109.5 . . ? C20 C21' H21F 109.5 . . ? H21D C21' H21F 109.5 . . ? H21E C21' H21F 109.5 . . ? C18 C22 H22A 120.0 . . ? C18 C22 H22B 120.0 . . ? H22A C22 H22B 120.0 . . ? C4 C23 H23A 109.5 . . ? C4 C23 H23B 109.5 . . ? H23A C23 H23B 109.5 . . ? C4 C23 H23C 109.5 . . ? H23A C23 H23C 109.5 . . ? H23B C23 H23C 109.5 . . ? C8 C24 H24A 109.5 . . ? C8 C24 H24B 109.5 . . ? H24A C24 H24B 109.5 . . ? C8 C24 H24C 109.5 . . ? H24A C24 H24C 109.5 . . ? H24B C24 H24C 109.5 . . ? O4 C25 O3 124.8(3) . . ? O4 C25 C26 124.5(3) . . ? O3 C25 C26 110.7(3) . . ? C25 C26 H26A 109.5 . . ? C25 C26 H26B 109.5 . . ? H26A C26 H26B 109.5 . . ? C25 C26 H26C 109.5 . . ? H26A C26 H26C 109.5 . . ? H26B C26 H26C 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 C1 C2 C3 -63.9(3) . . . . ? C18 C1 C2 C3 -179.5(3) . . . . ? C17 C1 C2 C3 51.4(4) . . . . ? C1 C2 C3 C4 -55.6(4) . . . . ? C2 C3 C4 C23 -65.8(3) . . . . ? C2 C3 C4 C16 56.1(3) . . . . ? C2 C3 C4 C5 171.4(3) . . . . ? C23 C4 C5 C6 -60.9(3) . . . . ? C3 C4 C5 C6 60.5(3) . . . . ? C16 C4 C5 C6 176.0(2) . . . . ? C23 C4 C5 C13 66.7(3) . . . . ? C3 C4 C5 C13 -171.9(2) . . . . ? C16 C4 C5 C13 -56.4(3) . . . . ? C13 C5 C6 C7 55.0(3) . . . . ? C4 C5 C6 C7 -176.7(3) . . . . ? C5 C6 C7 C8 -55.9(3) . . . . ? C6 C7 C8 C9 164.1(3) . . . . ? C6 C7 C8 C12 55.5(3) . . . . ? C6 C7 C8 C24 -68.9(3) . . . . ? C25 O3 C9 C8 -164.3(3) . . . . ? C25 O3 C9 C10 77.5(3) . . . . ? C7 C8 C9 O3 78.2(3) . . . . ? C12 C8 C9 O3 -167.4(2) . . . . ? C24 C8 C9 O3 -49.0(3) . . . . ? C7 C8 C9 C10 -159.1(3) . . . . ? C12 C8 C9 C10 -44.6(3) . . . . ? C24 C8 C9 C10 73.7(3) . . . . ? O3 C9 C10 C11 145.8(3) . . . . ? C8 C9 C10 C11 24.5(3) . . . . ? C9 C10 C11 C12 6.2(3) . . . . ? C10 C11 C12 C13 -163.1(3) . . . . ? C10 C11 C12 C8 -34.3(3) . . . . ? C9 C8 C12 C13 -179.6(3) . . . . ? C7 C8 C12 C13 -59.1(3) . . . . ? C24 C8 C12 C13 64.0(3) . . . . ? C9 C8 C12 C11 48.5(3) . . . . ? C7 C8 C12 C11 169.0(2) . . . . ? C24 C8 C12 C11 -67.9(3) . . . . ? C11 C12 C13 C14 -55.3(4) . . . . ? C8 C12 C13 C14 -179.0(3) . . . . ? C11 C12 C13 C5 -177.8(3) . . . . ? C8 C12 C13 C5 58.4(3) . . . . ? C6 C5 C13 C12 -54.4(3) . . . . ? C4 C5 C13 C12 176.5(2) . . . . ? C6 C5 C13 C14 -176.3(2) . . . . ? C4 C5 C13 C14 54.7(3) . . . . ? C12 C13 C14 C15 -173.2(3) . . . . ? C5 C13 C14 C15 -52.6(3) . . . . ? C13 C14 C15 C16 55.1(4) . . . . ? C14 C15 C16 C17 172.1(3) . . . . ? C14 C15 C16 C4 -60.2(3) . . . . ? C23 C4 C16 C15 -62.9(3) . . . . ? C3 C4 C16 C15 177.3(3) . . . . ? C5 C4 C16 C15 59.6(3) . . . . ? C23 C4 C16 C17 64.0(3) . . . . ? C3 C4 C16 C17 -55.7(3) . . . . ? C5 C4 C16 C17 -173.5(3) . . . . ? F1 C1 C17 C16 63.0(3) . . . . ? C2 C1 C17 C16 -52.0(4) . . . . ? C18 C1 C17 C16 177.8(3) . . . . ? C15 C16 C17 C1 -177.1(3) . . . . ? C4 C16 C17 C1 55.5(4) . . . . ? F1 C1 C18 C22 -0.3(5) . . . . ? C2 C1 C18 C22 115.3(4) . . . . ? C17 C1 C18 C22 -115.6(4) . . . . ? F1 C1 C18 C19 177.7(3) . . . . ? C2 C1 C18 C19 -66.6(4) . . . . ? C17 C1 C18 C19 62.5(4) . . . . ? C20 O2 C19 O1 -0.4(5) . . . . ? C20 O2 C19 C18 179.8(3) . . . . ? C22 C18 C19 O1 -176.0(4) . . . . ? C1 C18 C19 O1 5.9(5) . . . . ? C22 C18 C19 O2 3.8(5) . . . . ? C1 C18 C19 O2 -174.3(3) . . . . ? C19 O2 C20 C21 -172.8(8) . . . . ? C19 O2 C20 C21' 164.3(5) . . . . ? C9 O3 C25 O4 -0.1(4) . . . . ? C9 O3 C25 C26 -178.2(3) . . . . ? _refine_diff_density_max 0.269 _refine_diff_density_min -0.189 _refine_diff_density_rms 0.048 _shelx_res_file ; TITL JLY-2021-01_a.res in C2 JLY-202101.res created by SHELXL-2018/3 at 08:15:06 on 23-Jun-2021 REM Old TITL ICIQ 45a-20 JLY-2021-01LT 202103033 in C2/m REM SHELXT solution in C2 REM R1 0.129, Rweak 0.028, Alpha 0.005, Orientation as input REM Flack x = -0.757 ( 1.125 ) from Parsons' quotients REM Formula found by SHELXT: C25 N O5 CELL 0.71073 14.7648 6.0876 26.9739 90.000 96.281 90.000 ZERR 4.000 0.0015 0.0005 0.0024 0.000 0.009 0.000 LATT -7 SYMM -X, Y, -Z SFAC C H O F UNIT 104 156 16 4 L.S. 10 BOND $H LIST 4 acta conf temp -173 size 0.2 0.1 0.05 FMAP 2 PLAN 40 omit -12 2 2 omit -8 2 17 omit -10 2 23 omit 14 2 21 omit 5 -5 26 WGHT 0.058300 1.868600 FVAR 0.30194 MOLE 1 F1 4 0.757820 0.632222 0.881528 11.00000 0.03028 0.03130 = 0.03149 -0.00459 -0.00051 0.00506 O1 3 0.951572 0.149888 0.845973 11.00000 0.03552 0.04845 = 0.03423 -0.00641 -0.00546 0.01296 O2 3 0.997970 0.143554 0.927720 11.00000 0.03322 0.05836 = 0.03314 0.01036 0.00408 0.01583 O3 3 0.420558 0.850372 0.555703 11.00000 0.02231 0.02818 = 0.02123 0.00234 0.00052 0.00402 O4 3 0.288116 1.024001 0.563730 11.00000 0.02107 0.03389 = 0.03211 0.00114 0.00099 0.00521 C1 1 0.812156 0.475267 0.858734 11.00000 0.02196 0.02458 = 0.02777 -0.00144 -0.00147 0.00377 C2 1 0.853319 0.598538 0.817966 11.00000 0.01664 0.02558 = 0.03136 0.00080 -0.00398 -0.00398 AFIX 23 H2A 2 0.896170 0.500922 0.802696 11.00000 -1.20000 H2AB 2 0.888249 0.725947 0.832669 11.00000 -1.20000 AFIX 0 C3 1 0.779796 0.679509 0.777421 11.00000 0.01857 0.02147 = 0.02833 0.00170 -0.00162 -0.00283 AFIX 23 H3A 2 0.809922 0.752209 0.750779 11.00000 -1.20000 H3AB 2 0.741843 0.790954 0.792120 11.00000 -1.20000 AFIX 0 C4 1 0.717188 0.495791 0.753873 11.00000 0.01518 0.01765 = 0.02525 0.00032 -0.00083 -0.00107 C5 1 0.636354 0.596811 0.719306 11.00000 0.01205 0.01375 = 0.02316 -0.00111 0.00009 -0.00064 AFIX 13 H5 2 0.605340 0.701727 0.740449 11.00000 -1.20000 AFIX 0 C6 1 0.666138 0.732544 0.675751 11.00000 0.01815 0.01905 = 0.02604 0.00054 -0.00037 -0.00483 AFIX 23 H6A 2 0.698648 0.635746 0.654099 11.00000 -1.20000 H6AB 2 0.709100 0.848338 0.689174 11.00000 -1.20000 AFIX 0 C7 1 0.584661 0.840462 0.644269 11.00000 0.02006 0.01718 = 0.02379 0.00099 0.00174 -0.00393 AFIX 23 H7A 2 0.556097 0.949714 0.664864 11.00000 -1.20000 H7AB 2 0.606591 0.918732 0.615705 11.00000 -1.20000 AFIX 0 C8 1 0.513633 0.669146 0.624850 11.00000 0.01501 0.01817 = 0.02336 -0.00084 0.00246 0.00086 C9 1 0.420050 0.758682 0.605601 11.00000 0.01778 0.02340 = 0.01947 -0.00104 0.00276 0.00256 AFIX 13 H9 2 0.402811 0.876380 0.628669 11.00000 -1.20000 AFIX 0 C10 1 0.353878 0.563099 0.607430 11.00000 0.01924 0.02912 = 0.02656 -0.00002 -0.00184 -0.00205 AFIX 23 H10A 2 0.344455 0.487670 0.574757 11.00000 -1.20000 H10B 2 0.294151 0.612740 0.616717 11.00000 -1.20000 AFIX 0 C11 1 0.402092 0.408789 0.648140 11.00000 0.01889 0.02624 = 0.03368 0.00286 -0.00228 -0.00750 AFIX 23 H11A 2 0.361630 0.375459 0.674104 11.00000 -1.20000 H11B 2 0.420645 0.269304 0.633309 11.00000 -1.20000 AFIX 0 C12 1 0.485599 0.540741 0.669957 11.00000 0.00985 0.01725 = 0.02618 0.00015 0.00175 -0.00193 AFIX 13 H12 2 0.462468 0.652547 0.692641 11.00000 -1.20000 AFIX 0 C13 1 0.564067 0.423562 0.700577 11.00000 0.01271 0.01671 = 0.02489 -0.00139 0.00227 -0.00281 AFIX 13 H13 2 0.592086 0.316721 0.678578 11.00000 -1.20000 AFIX 0 C14 1 0.529362 0.297587 0.743964 11.00000 0.01530 0.01777 = 0.02820 0.00146 0.00109 -0.00378 AFIX 23 H14A 2 0.493382 0.398049 0.763017 11.00000 -1.20000 H14B 2 0.488682 0.177365 0.730529 11.00000 -1.20000 AFIX 0 C15 1 0.607770 0.201186 0.778917 11.00000 0.02151 0.02135 = 0.02780 0.00555 0.00167 -0.00366 AFIX 23 H15A 2 0.583372 0.130671 0.807747 11.00000 -1.20000 H15B 2 0.639464 0.087413 0.761056 11.00000 -1.20000 AFIX 0 C16 1 0.674950 0.380567 0.797331 11.00000 0.01618 0.02090 = 0.02391 0.00144 -0.00052 0.00059 AFIX 13 H16 2 0.639269 0.495013 0.813371 11.00000 -1.20000 AFIX 0 C17 1 0.747067 0.294541 0.837985 11.00000 0.02086 0.02262 = 0.02596 0.00247 0.00089 -0.00073 AFIX 23 H17A 2 0.716259 0.231130 0.865488 11.00000 -1.20000 H17B 2 0.782408 0.175986 0.823933 11.00000 -1.20000 AFIX 0 C18 1 0.881411 0.392430 0.900350 11.00000 0.02060 0.03139 = 0.02945 0.00011 -0.00347 -0.00065 C19 1 0.945906 0.217550 0.887333 11.00000 0.02126 0.03687 = 0.03141 0.00475 -0.00195 -0.00315 dfix 1.54 0.01 c20 c21 c20 c21' C20 1 1.062530 -0.027741 0.918460 11.00000 0.03844 0.05785 = 0.04633 0.01200 0.00758 0.02007 PART 1 10.40 AFIX 23 H20A 2 1.108694 0.033387 0.898293 10.40000 -1.20000 H20B 2 1.029992 -0.147111 0.898965 10.40000 -1.20000 AFIX 23 PART 2 10.60 H20C 2 1.094476 0.008373 0.889093 10.60000 -1.20000 H20D 2 1.031418 -0.171026 0.912748 10.60000 -1.20000 AFIX 0 PART 1 10.40 DELU 0.005 C20 C21 C21' SIMU 0.005 C20 C21 C21' C21 1 1.109647 -0.120950 0.966006 10.40000 0.06574 0.06930 = 0.04759 0.03110 0.01330 0.02973 AFIX 137 H21A 2 1.155789 -0.227391 0.958156 10.40000 -1.50000 H21B 2 1.064853 -0.194277 0.984586 10.40000 -1.50000 H21C 2 1.139046 -0.002004 0.986300 10.40000 -1.50000 AFIX 0 PART 2 10.60 C21' 1 1.129449 -0.032958 0.966267 10.60000 0.05440 0.06107 = 0.03589 0.02768 0.01711 0.03031 AFIX 137 H21D 2 1.173132 -0.152894 0.964150 10.60000 -1.50000 H21E 2 1.095666 -0.056382 0.995134 10.60000 -1.50000 H21F 2 1.162226 0.107076 0.970007 10.60000 -1.50000 AFIX 0 PART 0 C22 1 0.883712 0.465693 0.946680 11.00000 0.03706 0.05348 = 0.03584 -0.00379 -0.01076 0.01255 AFIX 93 H22A 2 0.926639 0.407131 0.972058 11.00000 -1.20000 H22B 2 0.842435 0.576829 0.954548 11.00000 -1.20000 AFIX 0 C23 1 0.773719 0.337444 0.725027 11.00000 0.01809 0.02442 = 0.03100 0.00023 0.00321 0.00356 AFIX 137 H23A 2 0.733100 0.230604 0.706778 11.00000 -1.50000 H23B 2 0.817917 0.259957 0.748551 11.00000 -1.50000 H23C 2 0.806102 0.421044 0.701401 11.00000 -1.50000 AFIX 0 C24 1 0.550539 0.519733 0.585341 11.00000 0.02196 0.02508 = 0.02542 -0.00420 0.00206 0.00270 AFIX 137 H24A 2 0.505767 0.404892 0.575256 11.00000 -1.50000 H24B 2 0.607741 0.451722 0.599526 11.00000 -1.50000 H24C 2 0.561520 0.607813 0.556180 11.00000 -1.50000 AFIX 0 C25 1 0.349631 0.980623 0.539955 11.00000 0.01308 0.02506 = 0.03216 -0.00185 -0.00253 -0.00127 C26 1 0.356444 1.058587 0.487590 11.00000 0.03290 0.05407 = 0.03093 0.00988 0.00004 0.01014 AFIX 137 H26A 2 0.332329 1.208312 0.483696 11.00000 -1.50000 H26B 2 0.321042 0.960843 0.463968 11.00000 -1.50000 H26C 2 0.420402 1.057410 0.480982 11.00000 -1.50000 AFIX 0 HKLF 4 REM JLY-2021-01_a.res in C2 REM wR2 = 0.123141, GooF = S = 1.02815, Restrained GooF = 1.03007 for all data REM R1 = 0.049313 for 3878 Fo > 4sig(Fo) and 0.066151 for all 4779 data REM 294 parameters refined using 23 restraints END WGHT 0.0590 1.8528 REM Highest difference peak 0.269, deepest hole -0.189, 1-sigma level 0.048 Q1 1 0.8191 0.6724 0.8834 11.00000 0.05 0.27 Q2 1 0.4448 0.4803 0.6608 11.00000 0.05 0.25 Q3 1 0.4691 0.6968 0.6153 11.00000 0.05 0.24 Q4 1 0.6452 0.2882 0.7883 11.00000 0.05 0.23 Q5 1 0.6376 0.6019 0.6858 11.00000 0.05 0.23 Q6 1 0.3584 0.7156 0.6049 11.00000 0.05 0.22 Q7 1 0.6813 0.5389 0.7293 11.00000 0.05 0.22 Q8 1 0.2196 1.0073 0.5614 11.00000 0.05 0.22 Q9 1 0.2833 0.5555 0.6020 11.00000 0.05 0.21 Q10 1 0.9375 0.3836 0.8925 11.00000 0.05 0.21 Q11 1 0.5450 0.7576 0.6387 11.00000 0.05 0.21 Q12 1 0.6790 0.3881 0.8245 11.00000 0.05 0.21 Q13 1 0.4840 0.5632 0.6341 11.00000 0.05 0.21 Q14 1 0.5791 0.5759 0.7176 11.00000 0.05 0.21 Q15 1 0.5206 0.8406 0.6449 11.00000 0.05 0.20 Q16 1 0.2802 1.0220 0.5325 11.00000 0.05 0.19 Q17 1 0.5619 0.5642 0.6998 11.00000 0.05 0.19 Q18 1 0.7862 0.6570 0.8121 11.00000 0.05 0.19 Q19 1 0.8803 0.2435 0.8933 11.00000 0.05 0.19 Q20 1 0.4123 0.5756 0.6014 11.00000 0.05 0.18 Q21 1 0.9025 0.6103 0.8176 11.00000 0.05 0.18 Q22 1 0.3033 1.1389 0.4781 11.00000 0.05 0.18 Q23 1 0.3450 1.0050 0.5704 11.00000 0.05 0.18 Q24 1 0.7225 0.3168 0.8041 11.00000 0.05 0.18 Q25 1 0.6653 0.7105 0.7091 11.00000 0.05 0.18 Q26 1 0.6152 0.4547 0.7035 11.00000 0.05 0.18 Q27 1 0.4091 0.9972 0.4751 11.00000 0.05 0.18 Q28 1 0.6933 0.6022 0.8822 11.00000 0.05 0.17 Q29 1 0.7944 0.4949 0.8904 11.00000 0.05 0.17 Q30 1 0.6208 0.4040 0.7956 11.00000 0.05 0.17 Q31 1 0.7008 0.4515 0.7828 11.00000 0.05 0.17 Q32 1 0.8055 0.3347 0.8399 11.00000 0.05 0.17 Q33 1 0.4783 0.7862 0.5578 11.00000 0.05 0.17 Q34 1 1.0616 0.1364 0.9173 11.00000 0.05 0.17 Q35 1 0.8802 0.1713 0.8461 11.00000 0.05 0.17 Q36 1 1.0203 0.1771 0.8524 11.00000 0.05 0.16 Q37 1 0.3417 0.3961 0.6409 11.00000 0.05 0.16 Q38 1 0.3539 0.8176 0.5518 11.00000 0.05 0.16 Q39 1 0.9462 -0.2160 0.8873 11.00000 0.05 0.16 Q40 1 0.6945 0.7021 0.8825 11.00000 0.05 0.16 ; _shelx_res_checksum 94387 _shelx_hkl_file ; 0 -6 11 3.28617 2.20369 2 0 -6 12-2.88039 2.29864 2 0 -6 13 9.23448 2.42915 2 0 -6 14 16.5745 2.62621 2 0 -6 15-0.98790 2.46978 2 0 -6 16 1.64760 2.55525 2 0 -6 17 4.95607 2.62040 2 0 -6 18 8.82739 2.73296 2 0 -6 19 2.20685 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1.63941 2 -4 2 -15 84.1157 3.10664 3 4 2 15 95.6034 3.52573 2 4 2 15 94.6751 3.59374 3 4 2 15 99.6738 3.97511 1 4 2 16 81.8025 3.30087 2 -4 2 -16 78.7238 2.89305 3 4 2 16 86.9667 3.40294 3 4 2 17 20.0424 1.81010 2 -4 2 -17 23.4230 1.31880 3 4 2 17 27.7916 2.05902 3 4 2 18-1.52540 1.72030 2 4 2 18-2.68874 1.88462 3 4 2 19 42.6783 2.56584 3 4 2 19 36.6505 2.36686 2 4 2 20 8.60927 2.09376 3 4 2 20 6.60279 1.92664 2 4 2 21 14.9485 2.15857 2 4 2 21 17.9165 2.23591 3 4 2 22 35.3680 2.63521 3 4 2 22 32.7990 2.54230 2 4 2 23 1.58065 2.17186 2 4 2 23-0.52493 2.23183 3 4 2 24 4.10344 2.34388 2 4 2 24 6.31380 2.36159 3 4 2 25 2.74571 2.43225 2 4 2 25 3.75551 2.29668 3 4 2 26 16.6173 2.63203 2 4 2 26 10.3698 2.44166 3 4 2 26 17.0365 2.82633 5 4 2 27 9.81597 2.82466 5 4 2 27 9.04400 2.51488 3 4 2 27 4.29277 2.54632 2 4 2 28 23.0680 3.10447 5 4 2 28 20.3943 2.84786 2 4 2 29 3.67127 2.77027 2 4 2 29-0.40005 3.10276 5 4 2 30 11.8412 3.01373 2 4 2 30 12.7975 3.28440 5 4 2 31 5.80337 3.06390 2 4 2 31 2.97497 3.44006 5 -4 4 29 21.5742 3.69894 5 -4 4 28 5.50117 3.26936 5 -4 4 27 5.45158 3.19886 5 -4 4 26 22.4239 3.22913 5 4 4 -18 3.19003 1.82185 3 4 4 -17 12.5494 1.94127 3 4 4 -16 29.2578 2.17583 3 4 4 -15 147.559 5.47625 3 4 4 -14 13.4495 1.96053 3 4 4 -13 48.3437 2.55629 3 4 4 -12 14.7646 1.82285 3 4 4 -11 132.086 4.93618 3 4 4 -10 31.6714 2.09095 3 4 4 -9 11.6668 1.72909 3 -4 4 8 50.4119 2.64165 4 4 4 -8 56.1967 2.57366 3 -4 4 7 20.5001 1.80176 4 4 4 -7 24.8611 1.84122 3 -4 4 6 35.5976 2.17611 4 4 4 -6 40.1481 2.17455 3 4 4 -6 35.2112 2.21605 2 -4 4 5 4.43024 1.66718 4 4 4 -5 3.19009 1.69484 2 4 4 -5 5.95578 1.58523 3 -4 4 4 168.988 6.27882 4 4 4 -4 181.182 6.30829 3 4 4 -4 179.899 6.32874 2 4 4 -3 18.4238 2.49299 4 -4 4 3 19.6023 1.82393 4 4 4 -3 21.0701 1.73614 3 4 4 -3 19.8103 1.84118 2 4 4 -2 54.1330 2.58020 3 -4 4 2 53.6526 2.51922 4 4 4 -2 56.3292 2.60090 2 4 4 -2 50.5487 3.08026 4 -4 4 1 29.7477 2.01594 4 4 4 -1 31.0789 1.91763 3 4 4 -1 29.7888 2.01420 2 4 4 -1 33.6073 2.58363 4 -4 4 0-0.34762 1.59888 4 4 4 0 2.69376 2.11337 4 4 4 0 1.10897 1.56837 2 4 4 0 0.44366 1.50107 3 -4 4 -1 25.7331 1.99022 4 4 4 1 30.3160 1.90469 3 4 4 1 28.2738 1.94426 2 -4 4 -2 19.9045 1.93548 4 4 4 2 26.5989 1.88623 3 4 4 2 25.9447 1.82999 2 4 4 3 59.6050 2.62124 2 4 4 3 58.0359 2.65619 3 -4 4 -3 49.7668 2.67144 4 4 4 4 60.2664 2.59070 3 -4 4 -4 50.4605 2.61029 4 -4 4 -4 45.4368 2.04858 2 4 4 4 57.5954 2.46427 2 -4 4 -5 84.2432 3.32875 2 4 4 5 98.4282 3.72064 3 4 4 5 99.7962 3.62166 2 -4 4 -6 13.7429 1.35089 2 4 4 6 18.2566 1.71041 2 4 4 6 18.8873 1.79810 3 4 4 7 34.1167 2.05077 2 -4 4 -7 32.0359 1.77223 2 4 4 7 37.2062 2.15274 3 -4 4 -8 5.40732 1.36533 2 4 4 8 6.74836 1.76763 3 4 4 8 6.65463 1.65636 2 4 4 9 49.0189 2.46879 2 4 4 9 52.3151 2.64373 3 -4 4 -9 46.4153 2.26810 2 4 4 10 37.0195 2.30959 2 4 4 10 37.0145 2.38211 3 -4 4 -10 33.9393 2.03764 2 -4 4 -11 29.7796 2.01103 2 4 4 11 32.7184 2.26646 3 4 4 12 140.847 5.13802 3 -4 4 -12 126.616 4.92464 2 4 4 13 126.382 4.78952 2 4 4 13 127.532 5.02033 3 4 4 14 69.9449 3.08642 2 4 4 14 65.7564 3.32742 3 4 4 15 1.74381 1.77071 2 4 4 16 40.7869 2.42819 2 4 4 17-1.22027 1.87595 2 4 4 18 24.5346 2.14677 2 4 4 19 31.6673 2.90374 3 4 4 19 33.1025 2.41310 2 4 4 20 46.4409 2.73428 2 4 4 20 47.3120 3.22984 3 4 4 21 15.5201 2.27805 2 4 4 21 20.4696 2.74156 3 4 4 22 3.65210 2.20965 2 4 4 22-1.81450 2.61899 3 4 4 23-0.59773 2.33135 2 4 4 23-0.05285 2.71230 3 4 4 24 3.05197 2.47836 2 4 4 24 5.42856 2.85044 3 4 4 25 10.8855 2.67577 2 4 4 25 16.8189 3.06222 3 4 4 26 36.2620 3.07315 2 4 4 26 40.1396 3.45323 3 4 4 27 2.06659 3.05023 3 4 4 27 3.81206 2.76717 2 4 4 28-4.02308 2.92834 2 -4 6 10 2.34252 2.59827 4 -4 6 9 26.9421 2.71577 4 -4 6 8 88.4376 4.16950 4 4 6 -8 90.8023 5.04234 4 4 6 -7 19.1151 3.70120 4 -4 6 7 19.0680 2.60757 4 4 6 -7 18.7607 2.57595 3 4 6 -6 20.9875 3.58711 4 -4 6 6 18.5274 2.52647 4 4 6 -6 22.6026 2.58952 3 4 6 -5 5.55707 3.38675 4 -4 6 5 6.22991 2.55067 4 4 6 -5 5.07907 2.38656 3 4 6 -4 18.2838 3.43317 4 -4 6 4 22.6627 2.59238 4 4 6 -4 19.6746 2.58474 3 4 6 -3 14.2999 3.39848 4 -4 6 3 16.4624 2.54743 4 4 6 -3 17.8594 2.51892 3 4 6 -2 18.1928 3.35855 4 -4 6 2 18.9871 2.60834 4 4 6 -2 20.1931 2.51554 3 -4 6 1 32.1583 2.82356 4 4 6 -1 16.6140 2.48885 3 4 6 -1 18.1047 3.46853 4 4 6 0 123.667 5.65001 4 4 6 0 126.682 5.12897 3 -4 6 0 124.371 5.18621 4 4 6 1 43.5087 3.79421 4 -4 6 -1 48.1655 3.21173 4 4 6 1 44.6370 3.00074 3 -4 6 -2 64.2203 3.58281 4 4 6 2 60.0627 4.05858 4 4 6 2 66.4448 3.46365 3 -4 6 -3 43.5090 3.25078 4 4 6 3 47.1443 3.67366 4 4 6 3 49.4189 3.15449 3 4 6 4-0.66485 3.04886 4 -4 6 -4 2.71175 2.64665 4 4 6 4 0.33232 2.35972 3 4 6 5 7.12385 2.93256 4 -4 6 -5 6.38525 2.68628 4 4 6 5 5.69104 2.42745 3 -4 6 -6 20.8916 2.95087 4 4 6 6 31.0140 3.33271 4 4 6 6 26.5917 2.71407 3 -4 6 -7 5.06394 2.77762 4 4 6 7 5.53627 3.08815 4 4 6 7 7.31352 2.56127 3 -4 6 -8 2.21773 2.81045 4 4 6 8 0.88326 2.95956 4 4 6 8-0.05034 2.56713 3 4 6 9 9.79606 2.98234 4 4 6 9 7.45617 2.65026 3 -4 6 -9 12.1007 2.93747 4 -4 6 -10 11.8046 3.03872 4 4 6 10 9.85165 3.15737 4 4 6 10 12.0825 2.71576 3 -4 6 -11 2.14877 3.09960 4 4 6 11 3.71772 3.01078 4 4 6 11 1.54935 2.74047 3 4 6 12 13.2006 3.13114 4 4 6 12 9.00210 2.84922 3 4 6 13 8.79068 3.15387 4 4 6 13 10.5070 2.88888 3 4 6 14 17.5325 3.16116 4 4 6 14 14.9392 3.02571 3 4 6 15 33.5505 3.41872 3 4 6 15 31.3402 3.56962 4 4 6 16 11.1595 3.41743 4 4 6 16 17.9886 3.19994 3 4 6 17 11.2697 3.25267 3 4 6 18 4.05132 3.14000 3 -5 -5 25 1.67139 3.16456 2 -5 -5 24 6.27313 3.07871 2 -5 -5 23 6.88614 3.05500 2 -5 -5 22 1.73943 2.87424 2 -5 -5 21 1.25385 2.80953 2 -5 -5 20 16.9773 2.95006 2 -5 -5 19 4.48008 2.72051 2 -5 -5 18 6.12169 2.66291 2 -5 -5 17 10.2024 2.58597 2 -5 -5 16 11.1300 2.55862 2 -5 -5 15 26.2493 2.73837 2 -5 -5 14 3.59548 2.32175 2 -5 -5 13 2.05402 2.37660 2 -5 -5 12 4.64869 2.32352 2 -5 -5 11 23.2301 2.51527 2 -5 -5 10 2.62707 2.21828 2 -5 -5 9 36.1851 2.71022 2 -5 -5 8 36.9354 2.61125 2 -5 -5 7 13.7420 2.18691 2 -5 -5 6 63.5577 3.20412 2 -5 -5 5 64.1451 3.19038 2 -5 -5 4 69.8835 3.33875 2 -5 -5 3 133.292 4.78665 2 5 -5 -3 108.250 4.61651 3 -5 -5 2 43.4596 2.65196 2 -5 -5 1 74.1580 3.39155 2 -5 -5 1 74.0187 3.33853 1 -5 -5 0 12.7180 2.17865 1 -5 -5 0 15.3629 2.09282 2 -5 -5 -1 24.8330 2.41712 1 -5 -5 -1 27.2654 2.24910 2 -5 -5 -2 37.5950 2.52848 2 -5 -5 -2 35.5817 2.63756 1 -5 -5 -3 2.77763 2.28909 1 -5 -5 -4 60.2656 3.15819 1 -5 -5 -5 29.9796 2.66725 1 -5 -5 -6 68.9513 3.60233 1 -5 -5 -7 20.6776 2.74115 1 5 -5 8 52.7352 2.51619 2 5 -5 9 115.547 4.37470 2 5 -5 10 77.2807 3.28370 2 5 -5 11 44.0715 2.47431 2 5 -5 12 8.70164 1.87197 2 5 -5 13 11.8758 1.97031 2 5 -5 14 4.90507 1.95760 2 5 -5 15 15.2103 2.16570 2 5 -5 16 2.15882 2.15483 2 5 -5 17 14.2852 2.35692 2 5 -5 18 9.51464 2.38231 2 5 -5 19 2.65811 2.39753 2 5 -5 20-0.11817 2.52098 2 5 -5 21 8.51464 2.70202 2 5 -5 22 3.13002 2.75380 2 5 -5 23 4.39829 2.84781 2 5 -5 24 4.41259 2.99917 2 5 -5 25 2.39808 3.07987 2 5 -5 26-2.12471 3.22897 2 -5 -3 29 13.5811 3.18378 2 -5 -3 28 4.40744 2.91749 2 -5 -3 27 2.15912 2.76003 2 -5 -3 26 0.89331 2.68813 2 -5 -3 25-0.17111 2.54148 2 -5 -3 24 21.7868 2.67855 2 -5 -3 23 18.4913 2.55165 2 -5 -3 22 1.35317 2.32191 2 -5 -3 21 46.1031 2.98836 2 -5 -3 20 3.21293 2.16723 2 -5 -3 19 84.2181 3.86731 2 -5 -3 18 19.4002 2.26705 2 5 -3 -17 23.2056 1.67858 2 -5 -3 17 20.1429 1.38756 1 -5 -3 17 26.4492 2.24611 2 5 -3 -16 1.73236 1.33540 2 -5 -3 16 2.14265 1.03063 1 -5 -3 16 3.66503 1.88671 2 5 -3 -15 103.350 3.79237 2 -5 -3 15 105.755 4.21153 2 5 -3 -14 72.1779 2.77785 2 -5 -3 14 74.3959 3.22961 2 5 -3 -13 93.9204 4.13833 4 -5 -3 13 103.943 3.99113 2 5 -3 -13 99.0051 3.55097 2 5 -3 -12 47.2669 2.81001 4 -5 -3 12 51.2716 2.58138 2 5 -3 -12 52.0627 2.01695 2 5 -3 -11 50.6976 2.72816 4 -5 -3 11 53.7505 2.54924 2 5 -3 -11 48.6326 1.89609 2 5 -3 -10 78.3458 3.12821 4 -5 -3 10 79.9079 2.95042 2 5 -3 -10 62.5098 2.36975 2 5 -3 -9 148.281 5.60187 4 5 -3 -9 156.608 5.53601 3 -5 -3 9 152.772 5.53304 2 5 -3 -8 60.3466 2.81980 4 5 -3 -8 62.0506 2.72493 3 -5 -3 8 60.2391 2.71497 2 5 -3 -7 48.4712 2.46241 4 5 -3 -7 46.1665 2.36921 3 -5 -3 7 50.4718 2.35189 2 5 -3 -6 26.6700 1.96810 4 -5 -3 6 26.0579 1.73964 2 5 -3 -6 29.7611 1.82034 3 -5 -3 5 1.45610 1.37327 2 5 -3 -5 2.48440 1.58065 4 5 -3 -5 2.00140 1.40787 3 -5 -3 4 115.225 4.07796 2 5 -3 -4 112.694 4.01431 3 5 -3 -4 106.229 4.10299 4 -5 -3 4 105.940 3.84086 1 -5 -3 3 29.8155 1.76029 2 -5 -3 3 27.3555 1.91584 3 5 -3 -3 26.3339 1.66758 3 -5 -3 3 25.1313 1.45660 1 -5 -3 2 55.4325 2.33884 1 -5 -3 2 62.6307 2.70764 3 -5 -3 2 59.8457 2.55001 2 5 -3 -2 62.5166 2.43583 3 -5 -3 1 46.9839 2.11809 1 -5 -3 1 49.6419 2.41841 3 -5 -3 1 50.9710 2.31386 2 5 -3 -1 51.9107 2.13890 3 5 -3 0 173.512 5.81102 2 -5 -3 0 188.983 6.02795 1 -5 -3 0 190.495 6.13857 2 5 -3 0 154.050 5.82684 2 5 -3 0 193.164 5.97359 3 -5 -3 0 191.305 6.18684 3 5 -3 1 17.8718 0.95360 2 -5 -3 -1 21.1777 1.58037 1 -5 -3 -1 21.5849 1.54141 2 5 -3 1 19.0669 1.25703 3 -5 -3 -1 21.6271 1.83319 3 -5 -3 -2 94.5826 3.63349 3 5 -3 2 88.0756 3.17261 2 -5 -3 -2 91.7047 3.42793 1 5 -3 2 92.3658 3.23469 3 -5 -3 -2 87.5520 3.45132 2 5 -3 3 336.055 11.6108 2 -5 -3 -3 376.678 11.8874 3 -5 -3 -3 345.391 11.7351 1 5 -3 3 343.595 11.5952 3 -5 -3 -3 358.783 11.8153 2 -5 -3 -4 134.238 4.57761 3 5 -3 4 116.339 4.10338 3 -5 -3 -4 124.063 4.41262 1 5 -3 4 118.155 4.19197 2 5 -3 5 114.790 3.60166 2 5 -3 5 92.4559 3.40218 3 -5 -3 -5 114.515 3.85873 1 5 -3 6 72.7243 2.78165 2 -5 -3 -6 73.9491 3.08405 1 5 -3 7 72.1278 2.86027 2 -5 -3 -7 77.2621 3.15604 1 5 -3 8 37.4891 1.90569 2 -5 -3 -8 41.9887 2.34188 1 5 -3 9 112.218 4.26182 2 -5 -3 -9 122.948 4.50572 1 5 -3 10 21.8530 1.68780 2 -5 -3 -10 22.6543 2.15426 1 5 -3 11 99.2404 3.81360 2 5 -3 12-0.26140 1.52009 2 5 -3 13 60.0023 2.74698 2 5 -3 14 85.6683 3.54971 2 5 -3 15 93.1880 3.81434 2 5 -3 16 45.5442 2.60344 2 5 -3 17 113.602 4.54961 2 5 -3 18 53.8578 2.95024 2 5 -3 19 17.4172 2.31322 2 5 -3 20 31.4053 2.66388 2 5 -3 21 38.2939 2.81675 2 5 -3 22 17.8263 2.58725 2 5 -3 23 2.75035 2.50396 2 5 -3 24 7.94344 2.62997 2 5 -3 25 1.28393 2.68847 2 5 -3 26 32.4244 3.10900 2 5 -3 27 16.4523 3.00912 2 5 -3 28 1.42818 2.98567 2 5 -3 29-3.71876 3.13301 2 -5 -1 33 3.94745 3.15303 2 -5 -1 32 3.77617 3.02358 2 -5 -1 31 11.2622 2.95616 2 -5 -1 30 2.86545 2.78915 2 -5 -1 29 9.94638 2.73107 2 -5 -1 28 23.3296 2.80636 2 -5 -1 27 14.5233 2.63751 2 -5 -1 26 28.2244 2.73376 2 -5 -1 25 17.9640 2.43223 2 -5 -1 24 23.6281 2.45079 2 5 -1 -23 17.5799 2.49160 1 -5 -1 23 16.9438 2.30362 2 -5 -1 22 54.6905 2.99939 2 5 -1 -22 61.8196 3.15382 1 -5 -1 21 21.8183 2.13469 2 5 -1 -21 21.4570 2.47364 1 -5 -1 20 87.5335 3.76673 2 5 -1 -20 93.4307 3.90099 1 -5 -1 19 10.0493 1.79977 2 5 -1 -19 11.6937 2.12888 1 5 -1 -18 21.4942 2.23824 1 5 -1 -18 18.2092 1.87112 2 -5 -1 18 21.9400 1.90891 2 5 -1 -17 76.9084 3.20024 2 -5 -1 17 77.4469 3.26543 2 5 -1 -17 79.1288 3.37378 1 5 -1 -16 133.566 4.98138 1 5 -1 -16 131.943 4.83575 2 -5 -1 16 132.979 4.91975 2 5 -1 -15 12.4150 1.88663 1 5 -1 -15 12.4391 1.54896 2 -5 -1 15 14.1127 1.55379 2 -5 -1 14 186.462 6.88758 2 5 -1 -14 204.800 6.83898 2 -5 -1 13 197.561 6.83588 2 5 -1 -13 193.306 6.75293 2 5 -1 -12 125.766 4.54177 2 -5 -1 12 128.125 4.61669 2 5 -1 -11 250.354 8.43729 2 -5 -1 11 243.618 8.52006 2 5 -1 -10 97.2018 3.50629 2 -5 -1 10 93.5603 3.58277 2 5 -1 -9 141.432 4.87682 2 -5 -1 9 136.661 4.97850 2 5 -1 -8 145.374 5.09720 2 -5 -1 8 149.994 5.21080 2 5 -1 -7 2.21823 0.96524 2 -5 -1 7 3.20208 1.10910 2 5 -1 -6 30.2188 1.48099 2 -5 -1 6 34.7271 1.68551 2 -5 -1 5 147.272 4.96924 2 5 -1 -5 136.329 4.85552 2 -5 -1 4 31.5327 1.57395 2 5 -1 -4 31.7267 1.48050 2 5 -1 -3 77.8141 2.85066 2 5 -1 -2 134.638 4.66674 2 5 -1 -1 400.782 13.4237 2 -5 -1 0 43.1692 2.07758 3 5 -1 0 44.3647 1.89558 2 -5 -1 -1 145.320 4.99249 3 5 -1 1 137.689 4.90035 2 5 -1 2 274.373 9.17835 2 -5 -1 -2 267.383 9.25166 3 5 -1 3 349.845 11.9178 3 -5 -1 -3 357.715 12.0191 3 -5 -1 -3 365.146 12.0680 4 -5 -1 -4 13.2609 1.63238 4 5 -1 4 13.8852 1.08070 3 -5 -1 -4 13.2612 1.47722 3 -5 -1 -5 177.338 6.26144 4 5 -1 5 175.916 6.03567 3 -5 -1 -5 176.522 6.20593 3 5 -1 5 178.979 6.09354 2 -5 -1 -6 794.976 26.4367 4 5 -1 6 782.143 26.2956 3 5 -1 6 798.814 26.3638 2 -5 -1 -6 792.087 26.4059 3 -5 -1 -7 2013.11 66.4112 4 5 -1 7 1974.30 66.2849 3 5 -1 7 1999.10 66.3538 2 -5 -1 -7 2028.26 66.3863 3 -5 -1 -8 468.716 16.1963 4 -5 -1 -8 492.570 16.1736 3 5 -1 8 474.225 16.0191 3 5 -1 8 484.591 16.0422 5 5 -1 8 481.141 16.1176 2 -5 -1 -9 43.7165 2.37927 4 5 -1 9 44.6998 1.99482 2 -5 -1 -9 45.3297 2.22047 3 5 -1 9 43.1787 1.73680 3 5 -1 9 44.2223 1.91978 5 -5 -1 -10 72.3205 3.15099 4 -5 -1 -10 78.4246 3.02550 3 5 -1 10 72.7559 2.67384 3 5 -1 10 70.3626 2.82584 5 5 -1 10 74.1896 2.86208 2 -5 -1 -11 66.3093 3.01613 4 5 -1 11 71.9574 2.76359 2 -5 -1 -11 71.3008 2.87208 3 5 -1 11 65.6276 2.52957 3 5 -1 11 66.5077 2.69479 5 5 -1 12 6.21918 1.38036 5 -5 -1 -12 4.24601 1.79173 4 5 -1 12 6.94061 1.36055 2 -5 -1 -12 5.69826 1.56964 3 5 -1 12 7.05521 0.99086 3 5 -1 13 31.6500 1.91113 5 -5 -1 -13 35.0235 2.04692 3 5 -1 13 32.8121 1.57773 3 -5 -1 -13 30.6797 2.19509 4 5 -1 13 34.3257 1.84020 2 -5 -1 -14 25.3325 2.14698 4 -5 -1 -14 27.4189 1.96085 3 5 -1 14 25.3844 1.47299 3 5 -1 14 25.7106 1.83805 5 5 -1 14 26.6993 1.79857 2 5 -1 15 15.3916 1.75323 5 5 -1 15 16.2800 1.67382 2 -5 -1 -15 11.8979 2.13095 4 -5 -1 -15 19.7349 1.86897 3 5 -1 15 16.6498 1.33080 3 5 -1 16 19.1578 1.93166 5 5 -1 16 19.2549 1.83282 2 5 -1 16 19.6668 1.43616 3 5 -1 17 68.9184 3.15853 2 5 -1 17 65.4054 3.17350 5 5 -1 17 72.1952 2.77695 3 5 -1 18 4.94113 1.86119 2 5 -1 18 5.22569 1.36097 3 5 -1 18 4.54669 1.99142 5 5 -1 19 67.6762 3.33944 5 5 -1 19 68.7893 3.21286 2 5 -1 20 70.8049 3.36114 2 5 -1 20 71.3662 3.49540 5 5 -1 21 25.4910 2.40236 2 5 -1 21 23.5814 2.61962 5 5 -1 22 94.3656 4.11799 2 5 -1 23 55.2952 3.20522 2 5 -1 24 45.3594 3.06712 2 5 -1 24 48.4694 3.20566 1 5 -1 25 4.60446 2.72693 1 5 -1 25 6.02773 2.52832 2 5 -1 26 18.2808 2.96158 1 5 -1 26 17.3075 2.80321 2 5 -1 27 26.5587 2.94258 2 5 -1 28 4.04177 2.86152 2 5 -1 29 1.87070 2.94026 2 -5 1 34 11.7841 3.03317 2 -5 1 33 7.57450 2.92907 2 -5 1 32 6.25280 2.86098 2 -5 1 31 13.1017 2.77351 2 -5 1 30 0.73340 2.57857 2 -5 1 29 7.80189 2.47654 2 -5 1 29 8.88842 3.14762 5 -5 1 28 22.1917 2.55278 2 -5 1 28 19.4993 3.12810 5 -5 1 27 11.6301 2.36826 2 -5 1 27 13.5600 2.91171 5 -5 1 26 27.5065 2.48841 2 -5 1 26 25.1776 2.93609 5 -5 1 25 13.2601 2.19847 2 -5 1 25 14.4229 2.63682 5 -5 1 24 20.6666 2.60557 5 -5 1 24 19.4065 2.22117 2 -5 1 23 14.6032 2.07516 2 -5 1 23 18.2458 2.35119 5 -5 1 22 56.4705 3.08002 5 -5 1 22 61.6356 2.91329 2 -5 1 21 28.7372 2.10552 2 -5 1 21 24.7938 2.33119 5 -5 1 20 92.8749 3.65181 2 -5 1 20 86.2785 3.77942 5 -5 1 19 14.2766 1.69345 2 -5 1 19 13.9878 1.91682 5 -5 1 18 20.2479 1.94459 5 -5 1 18 17.5010 1.67327 2 -5 1 17 79.8346 3.08282 2 -5 1 17 73.7638 3.28401 5 -5 1 16 132.655 4.67316 2 -5 1 16 123.778 4.79370 5 -5 1 15 12.0967 1.34523 2 -5 1 15 10.2072 1.66569 5 5 1 -15 13.9100 1.94856 5 5 1 -14 199.770 7.27867 2 -5 1 14 213.425 7.20525 2 5 1 -14 208.296 7.32308 5 -5 1 14 211.200 7.28446 5 5 1 -13 191.212 6.97855 2 -5 1 13 204.844 6.89954 2 -5 1 13 202.956 6.97439 5 5 1 -13 197.972 7.00252 5 5 1 -12 121.953 4.60286 2 -5 1 12 122.751 4.47287 2 5 1 -12 129.653 4.67615 5 -5 1 12 131.900 4.58600 5 5 1 -11 238.694 8.47245 2 -5 1 11 244.692 8.37992 2 -5 1 11 253.981 8.42284 5 5 1 -10 91.2984 3.66672 2 -5 1 10 95.5111 3.53128 2 -5 1 10 102.979 3.57867 5 -5 1 9 140.712 4.98513 2 -5 1 9 145.796 5.03564 5 -5 1 8 154.020 5.20051 5 -5 1 8 145.312 5.16833 2 -5 1 7 1.94618 1.02013 2 -5 1 7 2.24982 1.10106 5 -5 1 6 29.9186 1.50659 2 -5 1 6 33.8295 1.50860 5 -5 1 5 141.631 5.10587 2 -5 1 5 153.438 5.06840 5 -5 1 4 31.2117 1.49270 2 -5 1 4 36.5241 1.42733 5 5 1 -3 83.7454 3.16948 3 -5 1 3 81.0097 3.02053 2 -5 1 3 87.0900 2.93519 5 -5 1 2 130.288 4.48116 2 5 1 0 44.4263 2.07595 4 5 1 1 141.498 5.01346 4 5 1 2 267.979 8.96856 4 5 1 2 258.442 8.93558 3 5 1 3 340.599 11.9361 4 5 1 3 367.223 11.9437 3 5 1 4 13.5287 1.33714 4 5 1 4 13.7189 1.21890 3 5 1 4 11.2150 1.49471 2 5 1 5 168.923 6.04333 4 5 1 5 182.208 6.06090 3 5 1 5 168.716 6.10327 2 5 1 5 176.326 6.02611 1 5 1 6 792.027 26.2120 1 5 1 6 796.876 26.2439 3 5 1 6 765.509 26.2254 4 5 1 6 789.902 26.2659 2 5 1 7 2014.42 65.5463 3 5 1 7 1950.53 65.5211 1 5 1 7 1956.30 65.5269 4 -5 1 -8 479.033 15.8794 3 5 1 8 471.219 15.9848 4 5 1 8 473.228 15.9781 3 5 1 8 474.688 15.9847 1 -5 1 -9 45.1311 1.87772 3 5 1 9 44.2122 2.05266 3 5 1 9 42.8977 2.23790 1 -5 1 -10 78.5861 2.84982 3 5 1 10 75.4072 2.98612 3 5 1 10 73.9614 3.13047 1 5 1 11 68.8394 2.80822 3 5 1 11 69.7059 2.85009 2 -5 1 -11 75.0936 2.68913 3 5 1 11 64.1803 2.95829 1 5 1 12 7.25833 1.36225 2 -5 1 -12 8.27338 1.24097 3 5 1 12 9.11586 1.25316 3 5 1 12 4.33347 1.69689 1 -5 1 -13 37.5028 1.75017 3 5 1 13 35.3462 1.89192 3 5 1 13 30.2937 2.22095 1 5 1 13 33.7059 1.87292 2 5 1 14 26.4662 1.72733 3 -5 1 -14 30.3147 1.65204 3 5 1 14 27.0300 1.81539 2 5 1 15 18.4066 1.64968 2 -5 1 -15 17.5994 1.51433 3 5 1 15 16.3650 1.65252 3 -5 1 -16 21.0322 1.60602 3 5 1 16 20.8634 1.77561 3 5 1 16 18.8534 1.73054 2 5 1 17 62.6173 2.97844 2 -5 1 -17 72.7726 2.82712 3 5 1 17 64.0168 2.94787 3 5 1 18 4.91432 1.70706 2 -5 1 -18 4.98874 1.55536 3 5 1 18 5.66251 1.76915 3 5 1 19 71.3983 3.20515 2 5 1 19 69.8285 3.22448 3 5 1 20 77.4072 3.36617 3 5 1 20 72.0895 3.38591 2 5 1 21 26.0048 3.11238 1 5 1 21 22.6583 2.47387 5 5 1 21 26.1177 2.33625 2 5 1 21 24.4832 2.25307 3 5 1 22 102.712 4.63131 1 5 1 22 97.9312 4.04382 3 5 1 22 92.9886 4.18812 5 5 1 22 91.5496 4.11756 2 5 1 23 60.2622 3.24972 2 5 1 23 61.5551 3.84159 1 5 1 23 58.4551 3.08999 3 5 1 23 54.7800 3.29977 5 5 1 24 51.9602 3.69267 1 5 1 24 51.0426 3.19164 2 5 1 24 48.0251 2.91948 3 5 1 24 50.9247 3.27344 5 5 1 25 4.88989 2.67267 5 5 1 25 5.91364 2.51154 2 5 1 25 0.97573 3.07652 1 5 1 25 3.26639 2.21856 3 5 1 26 16.9456 2.94338 5 5 1 26 18.0961 2.67999 2 5 1 26 16.2534 2.33922 3 5 1 27 24.1371 2.82177 2 5 1 27 22.8491 3.09683 5 5 1 28 5.47338 2.73535 2 5 1 28 4.34137 3.01669 5 5 1 29 3.55339 3.11247 5 5 1 29 5.92915 2.80317 2 5 1 30-0.43963 2.99316 2 5 1 30 0.61718 3.20765 5 5 1 31-1.92185 3.19946 2 5 1 31 0.30486 3.42401 5 5 1 32 1.07812 3.48423 5 -5 3 31 2.12307 3.57549 5 -5 3 30 25.0725 3.56222 5 -5 3 29 17.6514 3.45713 5 -5 3 28 11.9136 3.23560 5 -5 3 27 7.71034 3.05341 5 -5 3 26 0.10644 2.90171 5 -5 3 25 3.77675 2.81399 5 -5 3 24 26.3952 2.86718 5 -5 3 24 21.1385 2.16155 2 -5 3 23 19.3466 2.00136 2 -5 3 23 21.5356 2.78733 5 -5 3 22-1.04267 1.71741 2 -5 3 22-0.17566 2.41597 5 -5 3 21 53.0440 2.58923 2 -5 3 21 51.5080 3.14537 5 -5 3 20 4.09978 2.29028 5 -5 3 20 4.55553 1.63908 2 -5 3 19 88.8316 3.51555 2 -5 3 18 17.1621 1.60226 2 -5 3 17 23.7700 1.63131 2 -5 3 16 2.05675 1.29363 2 5 3 -16 3.44103 1.66150 3 5 3 -15 93.6227 3.87632 3 -5 3 15 99.9031 3.58542 2 5 3 -14 69.7635 2.95792 3 -5 3 14 67.1592 2.65598 2 5 3 -13 92.9962 3.59321 3 -5 3 13 88.0908 3.25584 2 5 3 -12 47.7196 2.36945 3 -5 3 12 47.1899 1.91532 2 5 3 -11 48.4955 2.21646 3 -5 3 11 40.1162 1.68863 2 5 3 -10 75.2476 3.06715 3 5 3 -9 145.496 5.26610 3 5 3 -8 54.8167 2.44442 3 5 3 -8 53.9106 2.57991 2 5 3 -7 47.3497 2.33923 2 5 3 -7 44.6436 2.26005 3 5 3 -6 26.4900 1.78098 3 5 3 -6 25.6876 1.83310 2 5 3 -5 0.92391 1.54315 2 5 3 -5 1.59461 1.33629 3 -5 3 4 109.656 4.05577 4 5 3 -4 114.462 4.22087 3 5 3 -4 115.535 4.24319 2 -5 3 3 26.7594 1.54920 4 5 3 -3 27.1465 1.79472 3 5 3 -3 26.8736 1.81816 2 -5 3 2 57.9204 2.42772 4 5 3 -2 59.0497 2.58225 3 5 3 -2 63.5845 2.65147 2 -5 3 1 50.2179 2.11553 4 5 3 -1 45.7453 2.65874 4 5 3 -1 50.7205 2.27245 3 5 3 -1 48.2625 2.31771 2 -5 3 0 179.072 6.33578 4 5 3 0 190.402 6.46064 3 5 3 0 182.420 6.44715 2 5 3 0 183.617 6.66582 4 -5 3 -1 17.9837 1.42981 4 5 3 1 19.5770 2.01038 4 5 3 1 20.9697 1.61871 3 5 3 1 20.5305 1.66537 2 5 3 2 92.4770 3.75268 4 5 3 2 91.6997 3.46222 3 -5 3 -2 85.0357 3.35207 4 5 3 2 88.5084 3.45279 2 5 3 3 348.895 11.4812 2 5 3 3 352.826 11.6796 4 5 3 3 352.665 11.5427 3 -5 3 -3 312.220 11.4098 4 5 3 4 130.073 4.97322 4 5 3 4 129.261 4.76449 2 5 3 4 133.138 4.78869 3 5 3 5 125.425 4.73184 4 5 3 5 124.856 4.54429 2 5 3 5 120.448 4.54346 3 5 3 6 77.8268 3.35709 4 5 3 6 78.0631 3.17668 2 5 3 6 76.8770 3.16673 3 5 3 7 74.7217 3.31646 4 5 3 7 79.0915 3.17815 2 5 3 7 75.5881 3.14797 3 5 3 8 39.9089 2.36556 4 5 3 8 42.4291 2.25643 2 5 3 9 113.278 4.40565 4 5 3 9 109.815 4.27415 2 -5 3 -9 113.669 4.14197 5 5 3 10 18.2575 1.94641 4 -5 3 -10 23.8263 1.72729 2 -5 3 -10 20.4735 1.67146 5 5 3 11 92.7370 3.89081 4 -5 3 -11 94.7655 3.69923 2 -5 3 -11 98.2937 3.68218 5 -5 3 -12 0.12237 1.64656 2 5 3 12-2.69126 1.82049 4 -5 3 -12-0.72793 1.71805 5 5 3 13 57.0723 3.06220 4 5 3 13 66.0933 2.95664 3 -5 3 -13 61.9745 2.86488 5 5 3 14 89.4692 3.71090 3 5 3 14 94.0816 3.68739 2 -5 3 -14 83.2465 3.66226 5 5 3 15 103.673 4.12007 3 -5 3 -15 95.9209 4.03528 5 5 3 15 103.366 4.02782 2 5 3 16 49.6267 2.78409 3 5 3 16 46.4229 2.55683 2 5 3 17 115.993 4.64526 3 5 3 17 112.737 4.47139 2 5 3 18 55.1591 3.05473 3 5 3 18 52.7378 2.80070 2 5 3 19 20.9785 2.20216 2 5 3 19 17.8002 2.43346 3 5 3 20 27.1930 2.40995 2 5 3 20 28.6480 2.63639 3 5 3 21 41.7770 2.98267 3 5 3 21 38.8189 2.71159 2 5 3 22 19.0633 2.35126 2 5 3 22 16.5351 2.59393 3 5 3 23 2.77988 2.30765 2 5 3 23 1.08406 2.54113 3 5 3 24 5.70314 2.44772 2 5 3 24 5.87738 2.61521 3 5 3 25-0.42041 2.53538 2 5 3 25-0.30786 2.68128 3 5 3 26 34.2324 3.07970 2 5 3 26 31.6976 3.20850 3 5 3 27 18.2016 2.96737 2 5 3 27 14.0227 3.02285 3 5 3 28 1.15890 2.95113 2 5 3 28 4.63403 2.91166 3 5 3 29-2.37515 3.01096 2 5 3 29-4.38178 2.97965 3 5 3 30 4.56801 3.06235 2 5 5 -14 0.05676 2.18870 3 5 5 -13-0.41459 2.17024 3 5 5 -12-0.38051 2.12855 3 5 5 -11 27.6623 2.40529 3 5 5 -10 2.15779 2.09629 3 5 5 -9 39.1208 2.62927 3 -5 5 8 39.7018 2.60479 4 5 5 -8 37.9036 2.66755 3 -5 5 7 17.4964 2.13800 4 5 5 -7 17.0017 2.24466 3 -5 5 6 67.6352 3.22877 4 5 5 -6 69.3252 3.34323 3 -5 5 5 63.8604 3.12758 4 5 5 -5 67.4640 3.26744 3 5 5 -5 64.9131 4.02855 4 -5 5 4 81.1450 3.36736 4 5 5 -4 69.7223 3.39594 3 5 5 -4 60.8334 4.05671 4 5 5 -3 137.505 5.06340 3 -5 5 3 125.463 4.94803 4 5 5 -3 123.710 5.66286 4 -5 5 2 43.1938 2.57600 4 5 5 -2 40.6786 2.61299 3 5 5 -2 37.0668 3.32523 4 -5 5 1 74.1355 3.39182 4 5 5 -1 75.6626 3.46527 3 5 5 -1 71.0886 3.98907 4 5 5 0 15.1699 2.94509 4 -5 5 0 17.0464 2.16447 4 5 5 0 15.4062 2.22801 3 -5 5 -1 28.3314 2.33202 4 5 5 1 25.7150 3.00861 4 5 5 1 21.7283 2.38509 3 -5 5 -2 30.0146 2.46698 4 5 5 2 33.2997 2.51243 3 -5 5 -3 4.57728 2.19472 4 5 5 3-2.28819 2.15516 3 -5 5 -4 58.5562 3.13542 4 5 5 4 58.5924 3.07536 3 5 5 5 32.7877 2.56618 3 -5 5 -5 34.2208 2.61552 4 -5 5 -6 60.5472 3.30278 4 5 5 6 69.2832 3.26644 3 -5 5 -7 23.4472 2.50852 4 5 5 7 21.1006 2.40782 3 -5 5 -8 60.3553 3.44870 4 5 5 8 67.3677 3.31914 3 5 5 9 141.636 5.55297 3 5 5 10 102.255 4.42783 3 5 5 11 54.8377 3.17717 3 5 5 12 11.1830 2.44637 3 5 5 13 8.55241 2.48993 3 5 5 14 4.26408 2.01379 2 5 5 14 6.60163 2.47407 3 5 5 15 17.2677 2.18268 2 5 5 15 17.3012 2.73887 3 5 5 16-0.21043 2.06620 2 5 5 16 0.02602 2.61450 3 5 5 17 14.3495 2.84876 3 5 5 18 10.5862 2.20623 2 5 5 19 0.04043 2.22362 2 5 7 -11 4.98995 4.54167 4 5 7 -10 36.4990 4.76372 4 5 7 -9 8.16811 4.36830 4 5 7 -8-0.42663 4.18094 4 5 7 -7 1.85991 4.08411 4 5 7 -6 1.83739 4.09522 4 5 7 -5 3.02194 4.02978 4 5 7 -4 4.65458 4.02998 4 5 7 -3 2.87939 3.91013 4 5 7 -2 6.94643 3.87747 4 5 7 -1-0.58221 2.98150 3 5 7 -1-2.08701 3.81178 4 5 7 0 5.13824 3.77226 4 5 7 0 5.69031 3.01822 3 5 7 1 20.7205 3.85521 4 5 7 1 16.1368 3.15560 3 5 7 2 35.5780 4.07653 4 5 7 2 29.4574 3.31010 3 5 7 3 16.1289 3.78142 4 5 7 3 13.0184 3.12133 3 5 7 4 17.2573 3.78930 4 5 7 4 15.2027 3.16138 3 5 7 5 6.58295 3.78158 4 5 7 5 0.78283 3.10896 3 5 7 6 12.4445 3.79330 4 5 7 6 5.65995 3.22624 3 5 7 7 20.3318 3.81338 4 5 7 7 23.0003 3.36262 3 5 7 8 17.9843 3.74233 4 5 7 8 16.2009 3.34892 3 5 7 9 7.54065 3.25831 3 5 7 10 12.4384 3.37693 3 5 7 11 7.94095 3.46131 3 -6 -6 21 4.97759 3.31910 2 -6 -6 20 4.08937 3.29554 2 -6 -6 19 18.0678 3.33842 2 -6 -6 18 9.21425 3.11363 2 -6 -6 17 7.19909 2.98510 2 -6 -6 16-0.42264 2.97763 2 -6 -6 15 3.72578 2.89874 2 -6 -6 14 8.68548 2.89738 2 -6 -6 13 2.45199 2.78983 2 -6 -6 12 6.92830 2.75869 2 -6 -6 11 30.6846 2.95419 2 -6 -6 10 27.6834 2.93797 2 -6 -6 9 17.3585 2.78225 2 -6 -6 8 21.4232 2.73306 2 -6 -6 7 6.37045 2.56754 2 -6 -6 6 15.0880 2.75596 2 -6 -6 5 20.3386 2.67612 2 -6 -6 4 29.9578 2.81027 2 -6 -6 3 7.28531 2.52079 2 -6 -6 2 23.5327 2.68299 2 -6 -6 1 15.6639 2.52709 2 -6 -6 0 8.27155 2.44605 2 -6 -6 -1 6.74665 2.51839 2 -6 -4 27 7.93917 3.24738 2 -6 -4 26 16.1867 3.14615 2 -6 -4 25 2.07334 2.90768 2 -6 -4 24 5.93443 2.81351 2 -6 -4 23 19.4994 2.93250 2 -6 -4 22 3.61986 2.69735 2 -6 -4 21 3.06105 2.61635 2 -6 -4 20 13.7136 2.68219 2 -6 -4 19 5.87871 2.39624 2 -6 -4 18 2.17499 2.40966 2 -6 -4 17 14.5651 2.52958 2 -6 -4 16 3.31281 2.29159 2 -6 -4 15 11.8387 2.29471 2 -6 -4 14 7.20832 2.15179 2 -6 -4 13 45.7675 2.79622 2 -6 -4 12 26.2527 2.38252 2 -6 -4 11 40.0421 2.58134 2 6 -4 -10 15.5131 2.60530 4 -6 -4 10 16.4517 2.05435 2 6 -4 -9 43.3036 2.92977 4 -6 -4 9 43.0092 2.55021 2 -6 -4 8 7.19932 1.89953 2 6 -4 -8 6.80334 2.33798 4 -6 -4 7 85.7054 3.48798 2 -6 -4 7 77.2790 3.00247 1 6 -4 -7 79.1602 3.67760 4 -6 -4 6 97.0944 3.86750 2 6 -4 -6 94.3209 3.85040 3 -6 -4 6 94.2594 3.49480 1 6 -4 -5 196.006 6.85979 3 -6 -4 5 197.095 6.95874 2 -6 -4 5 190.813 6.66427 1 -6 -4 4 132.150 4.79931 1 -6 -4 4 143.520 5.09832 2 6 -4 -4 133.200 4.97504 3 -6 -4 3 45.9225 2.53841 2 6 -4 -3 47.0360 2.38058 3 -6 -4 3 45.3960 2.18938 1 -6 -4 2 126.366 4.56869 1 -6 -4 2 126.691 4.78630 2 6 -4 -2 123.395 4.59737 3 -6 -4 1 43.2338 2.22213 1 -6 -4 1 41.9962 2.38822 2 6 -4 -1 39.5011 2.11223 3 -6 -4 0 11.6623 1.74695 1 -6 -4 0 11.1265 1.78321 2 6 -4 0 9.65227 1.45961 3 -6 -4 -1 22.6990 1.83660 1 6 -4 1 14.5917 0.81402 2 6 -4 1 14.0019 0.75806 2 6 -4 1 20.2339 1.46129 3 -6 -4 -1 23.5282 1.87989 2 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2.79721 1.41730 2 -8 0 5 261.198 8.97139 2 8 0 -5 262.730 8.99309 2 -8 0 4 21.6904 1.53507 2 8 0 -4 20.0984 1.61754 2 -8 0 3 5.64147 1.33511 2 8 0 -3 5.51005 1.43873 2 -8 0 2 111.976 4.11347 2 8 0 -2 113.864 4.19285 2 8 0 -1 20.2654 1.70957 2 8 0 -1 24.6182 1.58720 3 -8 0 1 21.4000 1.47813 2 8 0 -1 22.7543 1.39942 4 8 0 0 47.7606 2.32801 2 8 0 0 50.9006 2.17887 3 -8 0 0 47.8421 2.16882 2 8 0 0 43.9498 2.01308 4 8 0 1 299.892 10.2265 4 8 0 1 305.209 10.3599 3 8 0 1 309.723 10.3957 2 8 0 2 100.189 3.54719 4 8 0 2 98.6050 3.70576 3 8 0 2 98.9514 3.85526 2 8 0 3 73.8037 2.73792 4 8 0 3 74.8672 2.91659 3 8 0 3 74.1530 3.09755 2 8 0 4 3.87639 0.97298 4 8 0 4 4.38140 1.25375 3 8 0 4 4.54106 1.53805 2 8 0 5 33.6121 1.68662 3 8 0 5 30.1873 1.98981 2 8 0 6 32.2379 1.64093 3 8 0 6 31.0202 1.97502 2 -8 0 -6 29.3824 1.80382 4 8 0 7 260.050 8.69861 3 8 0 7 244.429 8.79839 2 -8 0 -7 254.701 8.70302 4 -8 0 -8 29.2780 1.89186 4 -8 0 -8 32.7778 1.99311 3 8 0 8 31.1531 1.73341 3 8 0 8 30.1741 2.06319 2 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1.50388 1 10 2 -3 107.373 3.80325 1 10 2 -2 57.5255 2.32671 1 10 2 -2 57.8275 2.96756 4 10 2 -1 67.8295 2.71349 1 10 2 -1 69.5928 3.25899 4 10 2 0 67.3252 2.74186 1 10 2 0 70.5159 3.25041 4 10 2 1 24.2409 2.20926 4 10 2 1 22.5187 1.62981 1 10 2 1 24.3102 2.10139 3 10 2 2 2.32178 1.94004 4 10 2 2 3.33624 1.45310 1 10 2 2 4.59072 1.83651 3 10 2 3 69.0192 3.29032 4 10 2 3 75.3484 3.30749 3 10 2 3 74.7879 3.01891 1 10 2 4 175.206 6.37465 4 10 2 4 171.189 6.36598 3 10 2 4 175.688 6.15999 1 10 2 5 51.6772 2.73334 4 10 2 5 51.0351 2.73266 3 10 2 5 50.2488 2.53062 1 10 2 6 21.5503 2.04303 4 10 2 6 21.7346 2.01206 1 10 2 6 17.2592 2.11730 3 10 2 7 86.0981 3.67303 4 10 2 7 87.9674 3.69622 3 10 2 7 84.0948 3.56582 1 10 2 8 30.6621 2.28661 4 10 2 8 31.9488 2.35523 3 10 2 8 35.5650 2.38890 1 10 2 9 82.4877 3.61381 4 10 2 9 82.2732 3.74228 3 10 2 9 87.4370 3.65933 1 10 2 10 59.3894 3.09027 4 10 2 10 68.1358 3.20749 3 10 2 10 66.1113 3.24573 1 10 2 11 36.2670 2.56779 4 10 2 11 41.3946 2.61088 3 10 2 11 42.4325 2.76956 1 10 2 12 21.5970 2.61366 1 10 2 12 20.4529 2.36546 3 10 2 13 29.1257 2.81892 1 10 2 13 28.1261 2.50089 3 10 2 14 3.52329 2.68429 1 10 2 14 3.02483 2.26937 3 10 2 15 44.6002 3.25570 1 10 2 15 45.5573 2.94047 3 10 2 15 50.3456 2.92269 2 10 2 16 3.58134 2.34535 2 10 2 16 6.59417 2.25790 3 10 2 16 6.96942 2.78110 1 10 2 17 18.0500 2.46411 2 10 2 17 15.8201 2.44107 3 10 2 17 18.9517 2.97017 1 10 2 18 21.9991 2.56352 2 10 2 18 21.1329 2.58959 3 10 2 18 18.9020 3.10327 1 10 2 19 8.43577 2.38841 2 10 2 19 7.55606 2.43892 3 10 2 19 3.98799 3.01308 1 10 2 20 6.04085 2.49672 2 10 2 20 14.5591 2.65271 3 10 2 21 5.93414 2.46581 2 10 2 21 1.74799 2.60854 3 10 2 22 12.2391 2.68437 2 10 2 22 13.8020 2.79181 3 10 2 23 0.71571 2.65490 2 10 2 23 0.92320 2.79816 3 10 2 24 27.6454 3.14169 2 10 2 24 27.7862 3.20847 3 10 2 25 16.2075 3.16636 3 10 2 26 7.77862 3.21500 3 10 2 26 3.87593 3.43430 5 10 2 27 5.69440 3.28238 3 10 2 27 12.5714 3.65002 5 10 4 -23 6.12387 2.82502 3 10 4 -22 3.01543 2.72778 3 10 4 -21 11.0572 2.77949 3 10 4 -20 1.71179 2.69526 3 10 4 -19 11.3012 2.69576 3 10 4 -18 6.76188 2.65612 3 10 4 -17-0.93387 2.58575 3 10 4 -16 16.8120 2.69937 3 10 4 -15 0.37504 2.53932 3 10 4 -14 16.5891 2.58231 3 10 4 -13 11.5787 2.60618 3 10 4 -12 3.53981 2.49567 3 10 4 -11 53.8205 3.39985 3 10 4 -10 1.93591 2.45122 3 10 4 -9 77.2881 3.81494 3 10 4 -8 16.7514 2.53029 3 10 4 -7 143.371 5.75337 3 10 4 -6 19.6316 2.63238 3 10 4 -5 96.0501 4.29193 3 10 4 -5 94.9651 4.87708 4 10 4 -4 5.24014 3.03752 4 10 4 -4 4.58084 2.30921 3 10 4 -3 19.8213 3.18108 4 10 4 -3 17.0650 2.52269 3 10 4 -2 107.037 4.47575 3 10 4 -2 100.124 4.89596 4 10 4 -1 8.82901 2.98188 4 10 4 -1 8.50919 2.33249 3 10 4 0 28.4450 3.19186 4 10 4 0 27.9561 2.64390 3 10 4 1 72.4952 3.99937 4 10 4 1 71.1700 3.56310 3 10 4 2 29.7622 3.07144 4 10 4 2 28.6511 2.64938 3 10 4 3 48.7645 3.37527 4 10 4 3 46.5597 3.02341 3 10 4 4 3.47391 2.72988 4 10 4 4-0.23476 2.27528 3 10 4 5 4.87798 2.68601 4 10 4 5 4.65092 2.35418 3 10 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4.14282 4 10 6 -5 1.12490 3.02292 3 10 6 -4 1.10153 4.18624 4 10 6 -4 2.29961 3.03218 3 10 6 -3 25.9135 4.34878 4 10 6 -3 22.7813 3.21531 3 10 6 -2 44.5015 4.56975 4 10 6 -2 30.8391 3.30980 3 10 6 -1 42.0537 4.54939 4 10 6 -1 35.7069 3.42516 3 10 6 0 48.9576 4.44841 4 10 6 0 39.4148 3.46711 3 10 6 1 27.5298 4.14716 4 10 6 1 19.4775 3.26109 3 10 6 2 12.5123 3.84637 4 10 6 2 8.70575 3.05838 3 10 6 3 3.67258 3.77804 4 10 6 3 1.63901 3.05977 3 10 6 4 0.08412 3.77186 4 10 6 4 1.16688 3.05047 3 10 6 5 1.59830 3.72823 4 10 6 5 1.28609 3.10771 3 10 6 6 7.68631 3.75464 4 10 6 6 4.43534 3.16522 3 10 6 7 0.89164 3.60831 4 10 6 7-2.01358 3.11942 3 10 6 8 10.0877 3.57975 4 10 6 8 5.38493 3.16377 3 -11 -5 18 31.7226 3.64797 2 -11 -5 17 89.8521 4.73031 2 -11 -5 16 5.44072 3.10412 2 -11 -5 15 16.9230 3.20746 2 -11 -5 14 12.9418 3.07655 2 -11 -5 13 32.2675 3.31400 2 -11 -5 12 35.0085 3.26548 2 -11 -5 11 31.5962 3.24811 2 -11 -5 10 16.7530 3.06326 2 -11 -5 9 12.3324 3.09417 2 -11 -5 8 8.41609 2.96982 2 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1.71520 3 11 -1 14 16.2995 2.15991 2 11 -1 14 14.0887 1.85834 3 11 -1 15 2.43108 2.02514 2 11 -1 15-2.70660 1.81394 3 11 -1 16 32.9226 2.54802 2 11 -1 17 6.88968 2.26509 2 11 -1 18 5.09187 2.31416 2 11 -1 19 12.0835 2.43984 2 11 -1 20 41.7823 3.04776 2 11 -1 21 15.3030 2.69153 2 11 -1 22 4.42113 2.68164 2 11 -1 23 24.3925 3.10796 2 11 -1 24 5.80708 2.91397 2 -11 1 29-3.23090 2.99874 2 -11 1 28 9.92961 2.91051 2 -11 1 27 19.0841 2.85487 2 -11 1 26 10.8230 2.71121 2 -11 1 25 1.50600 2.44209 2 -11 1 24 2.96469 2.41204 2 -11 1 23 21.7614 2.54055 2 -11 1 22 4.78314 2.21732 2 -11 1 21 71.8766 3.45078 2 -11 1 20 1.90404 2.13968 2 -11 1 19 17.3827 2.29070 2 -11 1 18 94.4023 4.01553 2 -11 1 17-0.55319 1.99920 2 -11 1 16 71.5961 3.32354 2 -11 1 15 9.22668 2.02762 2 -11 1 14 49.3006 2.71442 2 -11 1 13 62.8851 2.97790 2 -11 1 12 13.3266 1.92060 2 -11 1 11 34.5301 2.24522 2 -11 1 10 9.91421 1.86421 2 -11 1 9 12.4771 1.93442 2 -11 1 8 94.3141 3.81005 2 -11 1 7 51.5663 2.54376 2 11 1 -6 10.9717 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2.18779 3 11 1 16 41.2867 2.78471 3 11 1 16 34.8019 3.08393 1 11 1 17 3.60904 2.20836 3 11 1 17 5.12820 2.71828 1 11 1 18 12.7181 2.37491 3 11 1 18 8.19940 2.80564 1 11 1 19 11.6129 2.48893 3 11 1 20 51.2226 3.19891 3 11 1 21 13.4513 2.57171 3 11 1 21 5.64111 3.01377 5 11 1 22 2.52947 2.61114 3 11 1 23 19.3253 2.86495 3 11 3 -23 4.69503 2.92347 3 11 3 -22 8.28167 2.91064 3 11 3 -21 28.8334 3.11645 3 11 3 -20 38.8225 3.26206 3 11 3 -19 2.92941 2.66130 3 11 3 -18 10.7664 2.60735 3 11 3 -17 1.10541 2.51712 3 11 3 -16 4.53284 2.53444 3 11 3 -15 27.2333 2.85620 3 11 3 -14 6.36786 2.56753 3 11 3 -13 13.8672 2.63403 3 11 3 -12 7.58148 2.54597 3 11 3 -11 21.5829 2.71592 3 11 3 -10 90.4651 4.22967 3 11 3 -9 36.4019 2.88562 3 11 3 -8 26.5341 2.71629 3 11 3 -7 12.1069 2.51098 3 11 3 -6 65.6536 3.53033 3 11 3 -5 60.9789 3.40077 3 11 3 -4 28.5156 2.91443 4 11 3 -4 24.9531 2.54416 3 11 3 -3 17.0881 2.89767 4 11 3 -3 15.6546 2.46974 3 11 3 -2 116.224 4.79204 3 11 3 -2 112.676 5.00024 4 11 3 -1 56.2547 3.19708 3 11 3 -1 52.4453 3.30746 4 11 3 0 20.3439 2.75098 4 11 3 1 33.7637 2.88126 4 11 3 2 58.9381 3.40349 4 11 3 3 82.7814 3.93209 4 11 3 4 36.0786 2.80859 4 11 3 5 3.54681 2.38465 4 11 3 5-0.40561 2.24059 3 11 3 6 11.9907 2.18279 1 11 3 6 14.0995 2.47762 4 11 3 6 11.6586 2.35930 3 11 3 7 28.2602 2.67022 4 11 3 7 25.3473 2.43406 1 11 3 7 30.2106 2.58229 3 11 3 8 7.43068 2.40187 4 11 3 8 4.12017 2.24329 1 11 3 8 9.07793 2.36915 3 11 3 9 7.59456 2.46776 4 11 3 9 5.46396 2.34929 1 11 3 9 6.35574 2.32279 3 11 3 10 3.72195 2.44109 4 11 3 10-0.39199 2.30206 1 11 3 10-1.07846 2.31540 3 11 3 11 6.22760 2.42605 4 11 3 11 6.64764 2.47292 1 11 3 11 4.35799 2.47246 3 11 3 12-0.92556 2.38979 4 11 3 12 2.45043 2.60863 1 11 3 12 3.58085 2.50553 3 11 3 13 20.0433 2.83083 1 11 3 13 22.6987 2.72285 3 11 3 14 3.14193 2.76048 1 11 3 14-0.05584 2.56234 3 11 3 15 25.5169 3.14842 1 11 3 15 29.2743 2.90817 3 11 3 16 63.1183 3.58879 3 11 3 16 51.8062 3.76758 1 11 3 16 61.4451 3.48506 2 11 3 17 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1.04012 2.46518 2 12 -2 18 4.71191 2.59200 2 12 -2 19-3.55144 2.69323 2 12 -2 20 11.1394 2.83381 2 12 -2 21 4.95617 2.95824 2 12 -2 22 2.22044 3.00330 2 12 -2 23-1.63875 3.13811 2 -12 0 30 11.0244 3.27492 2 -12 0 29 4.18537 3.07963 2 -12 0 28 7.97733 2.99656 2 -12 0 27 5.36288 2.86641 2 -12 0 26-2.43739 2.75726 2 -12 0 25 98.0316 4.60845 2 -12 0 24 3.13617 2.60090 2 -12 0 23 0.56607 2.55225 2 -12 0 22-1.64992 2.55877 2 -12 0 21 12.2506 2.54493 2 -12 0 20 34.9430 2.85577 2 -12 0 19 75.6880 3.69554 2 -12 0 18 3.58157 2.29806 2 -12 0 17 23.3463 2.46632 2 -12 0 16-1.93595 2.21471 2 -12 0 15 201.890 7.37075 2 -12 0 14 3.67242 2.07395 2 -12 0 13 35.6993 2.54496 2 -12 0 12 45.7711 2.64990 2 12 0 -12 38.5127 2.47023 5 -12 0 11 11.1738 1.99819 2 12 0 -11 6.18626 1.85526 5 -12 0 10 0.94818 1.98432 2 12 0 -10-1.38724 1.75133 5 -12 0 9 1.94675 2.01014 2 12 0 -9-2.18386 1.66462 5 -12 0 8 4.52309 1.90390 2 12 0 -8 2.44098 1.52548 5 -12 0 7 4.29364 1.90555 2 12 0 -7 2.23175 1.46045 5 -12 0 6 14.8825 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2.54728 3 12 0 18-0.05197 2.39689 2 12 0 18-0.11495 2.17547 3 12 0 19 1.54193 2.45199 2 12 0 20 5.54984 2.53304 2 12 0 21 56.9431 3.52461 2 12 0 22 15.4290 2.82609 2 12 0 23-0.11957 2.90221 2 -12 2 17 5.90193 2.14771 2 -12 2 16 73.9397 3.42646 2 -12 2 15 56.6518 3.00493 2 12 2 -14 118.700 5.35488 3 -12 2 14 131.257 4.91830 2 -12 2 13 4.58510 2.05540 2 12 2 -13 2.25224 2.65998 3 12 2 -12 30.5477 2.92058 3 -12 2 12 35.5878 2.36786 2 12 2 -11 19.1693 2.72676 3 -12 2 11 16.8998 2.05403 2 12 2 -10 21.4244 2.77403 3 -12 2 10 24.1030 2.11694 2 12 2 -9 17.4550 2.62125 3 -12 2 9 16.3566 1.90562 2 12 2 -8 22.0608 2.70478 3 -12 2 8 28.9105 2.07973 2 12 2 -7 46.6653 3.16852 3 -12 2 7 48.3935 2.52510 2 12 2 -4 62.0153 2.50280 1 12 2 -4 65.1826 3.40695 4 12 2 -3 19.3694 2.50093 4 12 2 -3 19.1885 1.51251 1 12 2 -2 20.4881 1.64141 1 12 2 -2 17.1189 2.70051 3 12 2 -2 16.7731 2.52646 4 12 2 -1 203.589 7.27691 4 12 2 -1 205.436 7.37120 3 12 2 -1 191.398 6.81940 1 12 2 0 106.877 4.56331 4 12 2 0 105.498 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1.74572 3.32156 3 16 2 -6 6.30394 3.29269 3 16 2 -5 20.0338 3.47949 3 16 2 -4 11.9383 3.52785 3 16 2 -3 45.3234 3.78383 3 16 2 -2 21.1911 3.35277 3 16 2 -1 14.2961 3.20221 3 16 2 0 0.31774 3.13792 3 16 2 1-0.66228 3.12564 3 16 2 2 12.6493 3.19727 3 16 2 3 16.5429 3.22433 3 16 2 4 20.0855 3.19293 3 16 2 5 8.15965 3.13463 3 16 2 6 21.0325 3.25081 3 16 2 7 4.73410 3.10503 3 16 2 8 24.3739 3.37480 3 16 2 9 3.80619 3.11139 3 16 2 10 28.8657 3.52180 3 16 2 11 37.9456 3.55590 3 16 2 12 14.0827 3.17337 3 16 2 13 49.2925 3.85762 3 16 2 14 16.4234 3.43804 3 16 2 15 9.72723 3.39911 3 16 4 -12 1.21397 4.47970 4 16 4 -11 4.69115 4.35086 4 16 4 -10 2.76418 4.24975 4 16 4 -9 5.12527 4.20695 4 16 4 -8 9.62964 4.16391 4 16 4 -7 11.8696 4.08953 4 16 4 -6 16.7544 4.04093 4 16 4 -5 3.15372 3.88490 4 16 4 -4 8.23812 3.79565 4 16 4 -3 26.3238 3.95508 4 16 4 -2 35.3438 3.98516 4 16 4 -1 25.6895 3.86110 4 -17 -1 19-1.86528 3.38593 2 -17 -1 18 12.2609 3.39269 2 -17 -1 17 2.77828 3.24217 2 -17 -1 16 9.90708 3.22949 2 -17 -1 15 11.9401 3.17913 2 -17 -1 14 4.62117 3.12901 2 -17 -1 13 30.8235 3.24992 2 -17 -1 12 4.27883 2.99239 2 -17 -1 11 8.36257 3.04370 2 -17 -1 10 8.36352 2.96064 2 -17 -1 9 28.1444 3.23270 2 17 -1 -8 81.5382 4.48041 3 -17 -1 8 81.3308 4.26315 2 17 -1 -7 14.9115 3.17060 3 -17 -1 7 22.2133 3.10287 2 17 -1 -6 21.4279 3.17770 3 -17 -1 6 27.5984 3.18302 2 17 -1 -5 37.7570 3.37616 3 -17 -1 5 39.3011 3.44390 2 17 -1 -4 4.91552 2.83534 3 17 -1 -3 16.2532 2.82092 3 17 -1 -2 6.57196 2.61118 3 17 -1 -1 21.3138 2.73937 3 17 -1 0 19.4706 2.77487 3 17 -1 1 16.5469 2.67869 3 17 -1 2 33.8250 2.95669 3 17 -1 3 5.43989 2.53713 3 17 -1 4 9.45169 2.51892 3 17 -1 5 13.9649 2.64110 3 17 -1 9 10.7195 3.03547 2 17 -1 10 21.3024 3.25218 2 17 -1 11 43.8567 3.61569 2 17 -1 12 48.9026 3.74398 2 17 1 -14-0.97253 3.64979 3 17 1 -13 24.3761 3.80045 3 17 1 -12 3.75611 3.55574 3 17 1 -11 5.51003 3.57896 3 17 1 -10 7.06817 3.48076 3 -17 1 10 9.15695 2.87157 2 17 1 -9 15.3671 3.72812 3 -17 1 9 33.6717 3.17565 2 17 1 -8 78.0358 4.64914 3 17 1 -7 16.2881 3.50817 3 17 1 -6 19.3762 3.49030 3 17 1 -5 38.8216 3.73909 3 17 1 -4 5.22876 3.32371 3 17 1 -3 27.1876 3.54921 3 17 1 -2 12.7447 3.50367 3 17 1 -1 22.2910 3.50113 3 17 1 0 21.5475 3.40685 3 17 1 1 17.4907 3.35453 3 17 1 2 36.8964 3.61459 3 17 1 3 3.61866 3.14314 3 17 1 4 16.1181 3.24440 3 17 1 5 22.4448 3.27759 3 17 1 6 6.02044 3.03091 3 17 1 7 13.7461 3.17931 3 17 1 8 18.9794 3.22108 3 17 1 9 16.1733 3.26048 3 17 1 10 18.0516 3.26097 3 17 1 11 44.2093 3.65844 3 17 1 12 51.1943 3.83960 3 17 1 13 30.6873 3.38044 3 18 -2 -8 4.89796 2.88039 3 18 -2 -7 0.36935 2.82080 3 18 -2 -6 3.66090 2.83347 3 18 -2 -5 0.03214 2.87993 3 18 -2 -4 4.06667 2.99337 3 18 -2 -3 2.89700 2.98698 3 -18 0 18-0.03298 3.33132 2 -18 0 17 2.87228 3.26175 2 -18 0 16 4.27640 3.21503 2 -18 0 15 2.37822 3.21051 2 -18 0 14 11.6455 3.25388 2 -18 0 13 26.1304 3.28689 2 18 0 -12 3.98335 3.77418 3 -18 0 12 13.5282 3.14674 2 18 0 -11 37.1169 4.12638 3 -18 0 11 51.1240 3.67459 2 18 0 -10 53.0586 4.36857 3 -18 0 10 71.9449 4.12934 2 18 0 -9 45.2210 4.15086 3 -18 0 9 54.5880 3.81164 2 18 0 -8 32.9489 3.99458 3 -18 0 8 49.0205 3.66454 2 18 0 -7 58.4648 4.23215 3 18 0 -6 42.6006 3.88928 3 18 0 -5 8.49305 3.42118 3 18 0 -4 29.7576 3.54002 3 18 0 -3 2.62823 3.25031 3 18 0 -2 2.52883 3.23558 3 18 0 -1 8.72377 3.25268 3 18 0 0 10.5945 3.33928 3 18 0 1 39.0388 3.56337 3 18 0 2 22.5607 3.24468 3 18 0 3 6.25326 3.05939 3 18 0 4 1.48570 3.02577 3 18 0 5 9.94363 3.10279 3 18 0 6 6.58696 2.97591 3 18 0 7-5.21346 3.03970 3 19 -1 -7 7.61206 3.51906 3 19 -1 -6 10.8895 3.49795 3 19 -1 -5 16.9663 3.47651 3 19 -1 -4 31.0790 3.54941 3 19 -1 -3 10.9419 3.26325 3 19 -1 -2 5.38246 3.09697 3 19 -1 -1 22.2139 3.21508 3 19 -1 0 2.91661 3.04523 3 0 0 0 0.00 0.00 0 TITL ICIQ 45a-20 JLY-2021-01LT 202103033 in C2 REM C2 (#5 in standard setting) CELL 0.71073 14.743782 6.080069 26.971111 90.0000 96.2956 90.0000 ZERR 10.00 0.000732 0.000259 0.001651 0.0000 0.0050 0.0000 LATT -7 SYMM -x, y,-z SFAC C H N O UNIT 110.00 100.00 10.00 10.00 TREF HKLF 4 END ; _shelx_hkl_checksum 17485