####################################################################### # # 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_moc93sol2 _audit_block_doi 10.5517/ccdc.csd.cc2dj7pw _database_code_depnum_ccdc_archive 'CCDC 2220148' loop_ _audit_author_name _audit_author_address 'Jakob Kljun' 'University of Ljubljana' _audit_update_record ; 2022-11-16 deposited with the CCDC. 2023-02-07 downloaded from the CCDC. ; _audit_creation_date 2022-10-25 _audit_creation_method ; Olex2 1.3 (compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408) ; _shelx_SHELXL_version_number 2018/3 _chemical_name_common ? _chemical_name_systematic ? _chemical_formula_moiety 'C27 H24 Cu F3 N6 O12 S, C F3 O3 S, 2(H2 O)' _chemical_formula_sum 'C28 H28 Cu F6 N6 O17 S2' _chemical_formula_weight 962.22 _chemical_melting_point ? loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 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' Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; _space_group_crystal_system triclinic _space_group_IT_number 2 _space_group_name_H-M_alt 'P -1' _space_group_name_Hall '-P 1' loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 8.2856(3) _cell_length_b 12.1191(5) _cell_length_c 19.2393(6) _cell_angle_alpha 82.105(3) _cell_angle_beta 86.220(3) _cell_angle_gamma 77.071(3) _cell_volume 1863.83(12) _cell_formula_units_Z 2 _cell_measurement_reflns_used 6040 _cell_measurement_temperature 150.05(10) _cell_measurement_theta_max 29.2120 _cell_measurement_theta_min 3.1880 _shelx_estimated_absorpt_T_max 0.923 _shelx_estimated_absorpt_T_min 0.855 _exptl_absorpt_coefficient_mu 0.812 _exptl_absorpt_correction_T_max 1.00000 _exptl_absorpt_correction_T_min 0.95122 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; CrysAlisPro 1.171.40.68a (Rigaku Oxford Diffraction, 2019) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. ; _exptl_absorpt_special_details ? _exptl_crystal_colour 'dull light blue' _exptl_crystal_colour_lustre dull _exptl_crystal_colour_modifier light _exptl_crystal_colour_primary blue _exptl_crystal_density_diffrn 1.715 _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_description block _exptl_crystal_F_000 978 _exptl_crystal_size_max 0.2 _exptl_crystal_size_mid 0.15 _exptl_crystal_size_min 0.1 _exptl_transmission_factor_max ? _exptl_transmission_factor_min ? _diffrn_reflns_av_R_equivalents 0.0272 _diffrn_reflns_av_unetI/netI 0.0516 _diffrn_reflns_Laue_measured_fraction_full 0.998 _diffrn_reflns_Laue_measured_fraction_max 0.835 _diffrn_reflns_limit_h_max 11 _diffrn_reflns_limit_h_min -10 _diffrn_reflns_limit_k_max 15 _diffrn_reflns_limit_k_min -15 _diffrn_reflns_limit_l_max 25 _diffrn_reflns_limit_l_min -26 _diffrn_reflns_number 14431 _diffrn_reflns_point_group_measured_fraction_full 0.998 _diffrn_reflns_point_group_measured_fraction_max 0.835 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 29.459 _diffrn_reflns_theta_min 2.581 _diffrn_ambient_environment N~2~ _diffrn_ambient_temperature 150.05(10) _diffrn_detector 'CCD plate' _diffrn_detector_area_resol_mean 10.4933 _diffrn_detector_type Atlas _diffrn_measured_fraction_theta_full 0.998 _diffrn_measured_fraction_theta_max 0.835 _diffrn_measurement_details ; List of Runs (angles in degrees, time in seconds): # Type Start End Width t~exp~ \w \q \k \f Frames #-------------------------------------------------------------------------- 1 \w -44.00 20.00 1.00 14.72 -- -11.01 77.00 120.00 64 2 \w -34.00 56.00 1.00 14.72 -- -11.01 37.00 0.00 90 3 \w -13.00 25.00 1.00 14.72 -- -11.01 -99.00 0.00 38 4 \w -35.00 52.00 1.00 14.72 -- -11.01 57.00-120.00 87 ; _diffrn_measurement_device 'four-circle diffractometer' _diffrn_measurement_device_type 'SuperNova, Dual, Cu at home/near, Atlas' _diffrn_measurement_method '\w scans' _diffrn_orient_matrix_type 'CrysAlisPro convention (1999,Acta A55,543-557)' _diffrn_orient_matrix_UB_11 0.0423338000 _diffrn_orient_matrix_UB_12 0.0343808000 _diffrn_orient_matrix_UB_13 0.0157868000 _diffrn_orient_matrix_UB_21 -0.0763988000 _diffrn_orient_matrix_UB_22 0.0289814000 _diffrn_orient_matrix_UB_23 0.0142310000 _diffrn_orient_matrix_UB_31 0.0097957000 _diffrn_orient_matrix_UB_32 -0.0405244000 _diffrn_orient_matrix_UB_33 0.0305848000 _diffrn_radiation_monochromator mirror _diffrn_radiation_probe x-ray _diffrn_radiation_type 'Mo K\a' _diffrn_radiation_wavelength 0.71073 _diffrn_source 'micro-focus sealed X-ray tube' _diffrn_source_type 'SuperNova (Mo) X-ray Source' _reflns_Friedel_coverage 0.000 _reflns_Friedel_fraction_full . _reflns_Friedel_fraction_max . _reflns_number_gt 7132 _reflns_number_total 8653 _reflns_odcompleteness_completeness 99.58 _reflns_odcompleteness_iscentric 1 _reflns_odcompleteness_theta 26.32 _reflns_special_details ; Reflections were merged by SHELXL according to the crystal class for the calculation of statistics and refinement. _reflns_Friedel_fraction is defined as the number of unique Friedel pairs measured divided by the number that would be possible theoretically, ignoring centric projections and systematic absences. ; _reflns_threshold_expression 'I > 2\s(I)' _computing_cell_refinement 'CrysAlisPro 1.171.40.68a (Rigaku OD, 2019)' _computing_data_collection 'CrysAlisPro 1.171.40.68a (Rigaku OD, 2019)' _computing_data_reduction 'CrysAlisPro 1.171.40.68a (Rigaku OD, 2019)' _computing_molecular_graphics 'Olex2 1.3 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 1.3 (Dolomanov et al., 2009)' _computing_structure_refinement 'SHELXL 2018/3 (Sheldrick, 2015)' _computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)' _refine_diff_density_max 9.719 _refine_diff_density_min -2.382 _refine_diff_density_rms 0.208 _refine_ls_extinction_coef . _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.026 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 534 _refine_ls_number_reflns 8653 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.1249 _refine_ls_R_factor_gt 0.1091 _refine_ls_restrained_S_all 1.026 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.1746P)^2^+19.4837P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.2941 _refine_ls_wR_factor_ref 0.3109 _refine_special_details ? _olex2_refinement_description ; 1. Fixed Uiso At 1.2 times of: All C(H) groups At 1.5 times of: All C(H,H,H) groups, All O(H,H) groups 2. Uiso/Uaniso restraints and constraints Uanis(S2T) = Uanis(C5T) Uanis(S2T) = Uanis(O1T) = Uanis(O4T) 3.a Free rotating group: O2W(H2WA,H2WB), O1W(H1WA,H1WB) 3.b Rotating group: O1C(H1CA,H1CB) 3.c Aromatic/amide H refined with riding coordinates: C2A(H2A), C5A(H5A), C2B(H2B), C12A(H12A), C12B(H12B), C9B(H9B), C5B(H5B), C11B(H11B), C9A(H9A), C11A(H11A) 3.d Idealised Me refined as rotating group: C20A(H20A,H20B,H20C), C16A(H16A,H16B,H16C), C20B(H20D,H20E,H20F), C16B(H16D, H16E,H16F) ; _atom_sites_solution_hydrogens mixed _atom_sites_solution_primary dual _atom_sites_solution_secondary ? loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group Cu01 Cu 0.52385(8) 0.65780(6) 0.71414(3) 0.0148(2) Uani 1 1 d . . . . . S2D S 0.21706(19) 0.51494(14) 0.67243(8) 0.0227(3) Uani 1 1 d . . . . . S2T S -0.0669(4) 1.1315(3) 0.82184(18) 0.0741(8) Uani 1 1 d . . . . . C5T C -0.2566(17) 1.0775(13) 0.8562(7) 0.0741(8) Uani 1 1 d . . . . . O1C O 0.3714(5) 0.7845(3) 0.7556(2) 0.0169(8) Uani 1 1 d . . . . . H1CA H 0.409322 0.795924 0.794392 0.025 Uiso 1 1 d R U . . . H1CB H 0.277861 0.765887 0.768859 0.025 Uiso 1 1 d R U . . . O15A O 0.1363(6) 1.0209(4) 0.5567(2) 0.0246(9) Uani 1 1 d . . . . . O14A O 0.2956(6) 1.0633(4) 0.4624(2) 0.0265(10) Uani 1 1 d . . . . . O19A O 0.5870(6) 0.8865(4) 0.3735(2) 0.0282(10) Uani 1 1 d . . . . . O1D O 0.2877(6) 0.5741(4) 0.7195(2) 0.0244(9) Uani 1 1 d . . . . . O19B O 0.8585(7) 0.2700(4) 0.9850(2) 0.0299(11) Uani 1 1 d . . . . . O14B O 0.5045(7) 0.3323(4) 1.0114(3) 0.0310(11) Uani 1 1 d . . . . . O18B O 0.8404(7) 0.4189(4) 1.0452(2) 0.0310(11) Uani 1 1 d . . . . . N1A N 0.4769(6) 0.7291(4) 0.6155(2) 0.0144(9) Uani 1 1 d . . . . . O15B O 0.3778(6) 0.3355(4) 0.9115(3) 0.0295(11) Uani 1 1 d . . . . . N1B N 0.6045(6) 0.5763(4) 0.8085(2) 0.0162(9) Uani 1 1 d . . . . . O4D O 0.3272(7) 0.4769(5) 0.6157(3) 0.0385(13) Uani 1 1 d . . . . . N7A N 0.6526(6) 0.5301(4) 0.6623(3) 0.0174(9) Uani 1 1 d . . . . . N7B N 0.7426(6) 0.7329(4) 0.7310(3) 0.0169(9) Uani 1 1 d . . . . . F7D F 0.1511(7) 0.3115(4) 0.6930(4) 0.0569(15) Uani 1 1 d . . . . . F8D F 0.3554(8) 0.3300(4) 0.7512(3) 0.0617(17) Uani 1 1 d . . . . . O3D O 0.0490(7) 0.5644(5) 0.6556(3) 0.0398(13) Uani 1 1 d . . . . . O18A O 0.3192(7) 0.8886(5) 0.3669(3) 0.0363(12) Uani 1 1 d . . . . . N10B N 1.0401(6) 0.7805(4) 0.7632(3) 0.0210(10) Uani 1 1 d . . . . . F6D F 0.1041(9) 0.4041(5) 0.7838(3) 0.0687(19) Uani 1 1 d . . . . . C8B C 0.8274(7) 0.6753(5) 0.7869(3) 0.0146(10) Uani 1 1 d . . . . . C6B C 0.7502(7) 0.5897(5) 0.8305(3) 0.0162(10) Uani 1 1 d . . . . . C6A C 0.5608(7) 0.6693(5) 0.5648(3) 0.0168(11) Uani 1 1 d . . . . . C3A C 0.3616(7) 0.8794(5) 0.5272(3) 0.0168(11) Uani 1 1 d . . . . . C2A C 0.3789(7) 0.8305(5) 0.5968(3) 0.0156(10) Uani 1 1 d . . . . . H2A H 0.319446 0.870277 0.631650 0.019 Uiso 1 1 calc R U . . . C4B C 0.7386(7) 0.4476(5) 0.9294(3) 0.0176(11) Uani 1 1 d . . . . . C5A C 0.5522(7) 0.7132(5) 0.4948(3) 0.0178(11) Uani 1 1 d . . . . . H5A H 0.612469 0.671569 0.460806 0.021 Uiso 1 1 calc R U . . . N10A N 0.8085(9) 0.3677(5) 0.5763(3) 0.0378(16) Uani 1 1 d . . . . . C13A C 0.2626(7) 0.9978(5) 0.5106(3) 0.0186(11) Uani 1 1 d . . . . . C2B C 0.5239(7) 0.5034(5) 0.8463(3) 0.0188(11) Uani 1 1 d . . . . . H2B H 0.422206 0.497085 0.831401 0.023 Uiso 1 1 calc R U . . . C4A C 0.4533(7) 0.8193(5) 0.4757(3) 0.0176(11) Uani 1 1 d . . . . . C12A C 0.7254(8) 0.4256(5) 0.6891(3) 0.0236(12) Uani 1 1 d . . . . . H12A H 0.725898 0.406328 0.737599 0.028 Uiso 1 1 calc R U . . . C3B C 0.5867(7) 0.4369(5) 0.9070(3) 0.0174(11) Uani 1 1 d . . . . . C17A C 0.4433(8) 0.8687(5) 0.3989(3) 0.0213(12) Uani 1 1 d . . . . . C8A C 0.6562(7) 0.5548(5) 0.5918(3) 0.0181(11) Uani 1 1 d . . . . . C12B C 0.8056(8) 0.8144(5) 0.6926(3) 0.0222(12) Uani 1 1 d . . . . . H12B H 0.750170 0.855095 0.653410 0.027 Uiso 1 1 calc R U . . . C9B C 0.9791(7) 0.6978(5) 0.8016(3) 0.0189(11) Uani 1 1 d . . . . . H9B H 1.038815 0.654228 0.838875 0.023 Uiso 1 1 calc R U . . . C5B C 0.8189(7) 0.5256(5) 0.8910(3) 0.0188(11) Uani 1 1 d . . . . . H5B H 0.919097 0.535112 0.905670 0.023 Uiso 1 1 calc R U . . . C13B C 0.4866(8) 0.3614(5) 0.9498(3) 0.0205(11) Uani 1 1 d . . . . . C11B C 0.9518(8) 0.8401(6) 0.7097(4) 0.0251(13) Uani 1 1 d . . . . . H11B H 0.989040 0.900258 0.683196 0.030 Uiso 1 1 calc R U . . . C17B C 0.8167(8) 0.3774(5) 0.9942(3) 0.0217(12) Uani 1 1 d . . . . . C9A C 0.7369(10) 0.4748(6) 0.5495(4) 0.0302(15) Uani 1 1 d . . . . . H9A H 0.742035 0.495365 0.501191 0.036 Uiso 1 1 calc R U . . . C11A C 0.8015(10) 0.3438(6) 0.6458(4) 0.0325(16) Uani 1 1 d . . . . . H11A H 0.848676 0.270527 0.666191 0.039 Uiso 1 1 calc R U . . . F8T F -0.2782(14) 1.0934(9) 0.9234(4) 0.109(3) Uani 1 1 d . . . . . F6T F -0.2419(13) 0.9689(7) 0.8459(6) 0.115(4) Uani 1 1 d . . . . . C20A C 0.5943(11) 0.9324(7) 0.2998(4) 0.0372(18) Uani 1 1 d . . . . . H20A H 0.552938 0.885249 0.272204 0.056 Uiso 1 1 calc R U . . . H20B H 0.707065 0.933693 0.285303 0.056 Uiso 1 1 calc R U . . . H20C H 0.527835 1.008600 0.293233 0.056 Uiso 1 1 calc R U . . . C16A C 0.0417(9) 1.1379(6) 0.5482(4) 0.0322(15) Uani 1 1 d . . . . . H16A H 0.010044 1.159545 0.500258 0.048 Uiso 1 1 calc R U . . . H16B H 0.108453 1.187460 0.560070 0.048 Uiso 1 1 calc R U . . . H16C H -0.055750 1.144118 0.578489 0.048 Uiso 1 1 calc R U . . . C20B C 0.9234(11) 0.1881(7) 1.0448(4) 0.0384(18) Uani 1 1 d . . . . . H20D H 0.951387 0.112728 1.031050 0.058 Uiso 1 1 calc R U . . . H20E H 0.840823 0.190806 1.082337 0.058 Uiso 1 1 calc R U . . . H20F H 1.020552 0.206798 1.060357 0.058 Uiso 1 1 calc R U . . . C5D C 0.2053(11) 0.3826(7) 0.7278(5) 0.0396(18) Uani 1 1 d . . . . . C16B C 0.2673(13) 0.2679(9) 0.9483(5) 0.054(3) Uani 1 1 d . . . . . H16D H 0.184411 0.262327 0.917121 0.081 Uiso 1 1 calc R U . . . H16E H 0.214687 0.303749 0.987884 0.081 Uiso 1 1 calc R U . . . H16F H 0.329572 0.192867 0.964225 0.081 Uiso 1 1 calc R U . . . F7T F -0.3751(11) 1.1462(13) 0.8169(6) 0.141(5) Uani 1 1 d . . . . . O2W O 0.3508(19) 0.9986(13) 0.9329(14) 0.149(6) Uani 1 1 d G . . . . H2WA H 0.363893 0.940583 0.963988 0.224 Uiso 1 1 d G U . . . H2WB H 0.278775 0.994179 0.904516 0.224 Uiso 1 1 d G U . . . O1W O 0.5034(8) 0.8283(5) 0.8665(3) 0.0376(12) Uani 1 1 d G . . . . H1WA H 0.421885 0.879446 0.878298 0.056 Uiso 1 1 d G U . . . H1WB H 0.585586 0.860240 0.862880 0.056 Uiso 1 1 d G U . . . O3T O -0.0332(9) 1.0939(6) 0.7531(4) 0.0540(16) Uani 1 1 d . . . . . O4T O -0.1183(11) 1.2485(8) 0.8228(5) 0.0741(8) Uani 1 1 d . . . . . O1T O 0.0475(11) 1.0714(8) 0.8713(5) 0.0741(8) Uani 1 1 d . . . . . 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 Cu01 0.0166(4) 0.0149(4) 0.0118(3) 0.0001(2) -0.0041(2) -0.0009(3) S2D 0.0199(7) 0.0255(8) 0.0239(7) -0.0089(6) -0.0056(6) -0.0023(6) S2T 0.0687(16) 0.0859(19) 0.0685(17) 0.0019(14) -0.0157(13) -0.0216(15) C5T 0.0687(16) 0.0859(19) 0.0685(17) 0.0019(14) -0.0157(13) -0.0216(15) O1C 0.0173(19) 0.019(2) 0.0147(18) -0.0019(15) -0.0021(15) -0.0050(15) O15A 0.027(2) 0.016(2) 0.027(2) -0.0032(17) -0.0003(18) 0.0051(17) O14A 0.033(2) 0.019(2) 0.025(2) 0.0047(17) -0.0056(19) -0.0030(18) O19A 0.033(3) 0.029(2) 0.018(2) 0.0040(18) 0.0033(18) -0.003(2) O1D 0.024(2) 0.027(2) 0.025(2) -0.0107(18) -0.0032(18) -0.0062(18) O19B 0.039(3) 0.024(2) 0.021(2) 0.0056(18) -0.006(2) 0.000(2) O14B 0.040(3) 0.033(3) 0.020(2) 0.0033(19) 0.002(2) -0.013(2) O18B 0.045(3) 0.032(3) 0.019(2) 0.0021(19) -0.013(2) -0.014(2) N1A 0.016(2) 0.012(2) 0.014(2) -0.0021(16) -0.0029(17) 0.0000(17) O15B 0.032(3) 0.036(3) 0.027(2) 0.000(2) -0.0001(19) -0.023(2) N1B 0.014(2) 0.019(2) 0.014(2) 0.0018(17) -0.0036(17) -0.0027(18) O4D 0.034(3) 0.059(4) 0.029(3) -0.022(2) 0.004(2) -0.013(3) N7A 0.018(2) 0.015(2) 0.018(2) -0.0021(18) -0.0061(18) -0.0006(18) N7B 0.015(2) 0.019(2) 0.016(2) 0.0011(18) -0.0017(18) -0.0034(18) F7D 0.056(3) 0.029(2) 0.094(4) -0.020(3) -0.019(3) -0.014(2) F8D 0.079(4) 0.029(3) 0.074(4) -0.003(2) -0.043(3) 0.003(3) O3D 0.026(3) 0.042(3) 0.051(3) -0.013(3) -0.016(2) 0.002(2) O18A 0.039(3) 0.052(3) 0.021(2) 0.005(2) -0.013(2) -0.018(3) N10B 0.017(2) 0.021(2) 0.026(3) -0.003(2) -0.002(2) -0.0049(19) F6D 0.101(5) 0.050(3) 0.057(4) -0.006(3) 0.033(3) -0.031(3) C8B 0.014(2) 0.017(2) 0.013(2) 0.0003(19) -0.0036(19) -0.0020(19) C6B 0.017(3) 0.017(3) 0.014(2) -0.001(2) -0.002(2) -0.003(2) C6A 0.017(3) 0.017(3) 0.016(3) -0.003(2) -0.002(2) -0.002(2) C3A 0.015(2) 0.017(3) 0.018(3) -0.001(2) -0.004(2) -0.003(2) C2A 0.019(3) 0.013(2) 0.014(2) -0.0021(19) -0.004(2) 0.000(2) C4B 0.017(3) 0.020(3) 0.014(2) -0.001(2) -0.002(2) -0.001(2) C5A 0.019(3) 0.018(3) 0.016(3) -0.005(2) -0.001(2) -0.001(2) N10A 0.055(4) 0.020(3) 0.029(3) -0.007(2) -0.012(3) 0.017(3) C13A 0.022(3) 0.018(3) 0.016(3) -0.004(2) -0.008(2) 0.000(2) C2B 0.018(3) 0.021(3) 0.018(3) -0.001(2) -0.004(2) -0.007(2) C4A 0.022(3) 0.018(3) 0.013(3) 0.001(2) -0.004(2) -0.005(2) C12A 0.028(3) 0.020(3) 0.020(3) 0.000(2) -0.011(2) 0.002(2) C3B 0.021(3) 0.016(3) 0.015(3) -0.002(2) -0.001(2) -0.004(2) C17A 0.034(3) 0.014(3) 0.015(3) 0.000(2) -0.001(2) -0.004(2) C8A 0.017(3) 0.018(3) 0.018(3) -0.004(2) -0.004(2) -0.001(2) C12B 0.022(3) 0.020(3) 0.023(3) 0.006(2) -0.003(2) -0.005(2) C9B 0.015(3) 0.022(3) 0.021(3) -0.003(2) -0.003(2) -0.006(2) C5B 0.021(3) 0.021(3) 0.015(3) 0.000(2) -0.005(2) -0.006(2) C13B 0.022(3) 0.022(3) 0.019(3) -0.004(2) 0.000(2) -0.006(2) C11B 0.026(3) 0.022(3) 0.028(3) 0.005(2) -0.003(3) -0.010(2) C17B 0.020(3) 0.026(3) 0.019(3) 0.004(2) -0.004(2) -0.007(2) C9A 0.045(4) 0.020(3) 0.019(3) -0.005(2) -0.003(3) 0.008(3) C11A 0.044(4) 0.018(3) 0.029(3) -0.001(3) -0.012(3) 0.007(3) F8T 0.158(9) 0.129(8) 0.071(5) -0.035(5) 0.027(5) -0.093(7) F6T 0.136(8) 0.069(5) 0.153(9) -0.046(5) 0.071(7) -0.052(5) C20A 0.059(5) 0.030(4) 0.017(3) 0.005(3) 0.011(3) -0.005(3) C16A 0.032(4) 0.018(3) 0.043(4) -0.010(3) -0.011(3) 0.008(3) C20B 0.047(4) 0.029(4) 0.030(4) 0.011(3) -0.007(3) 0.004(3) C5D 0.045(4) 0.027(4) 0.051(5) -0.015(3) -0.007(4) -0.010(3) C16B 0.068(6) 0.070(6) 0.043(5) -0.002(4) 0.002(4) -0.060(6) F7T 0.063(5) 0.237(14) 0.101(7) -0.034(8) -0.026(5) 0.027(7) O2W 0.096(10) 0.108(11) 0.25(2) -0.039(12) -0.029(11) -0.014(8) O1W 0.048(3) 0.047(3) 0.023(2) -0.004(2) -0.005(2) -0.020(3) O3T 0.064(4) 0.047(4) 0.050(4) -0.006(3) 0.000(3) -0.010(3) O4T 0.0687(16) 0.0859(19) 0.0685(17) 0.0019(14) -0.0157(13) -0.0216(15) O1T 0.0687(16) 0.0859(19) 0.0685(17) 0.0019(14) -0.0157(13) -0.0216(15) _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 Cu01 O1C 1.980(4) . ? Cu01 O1D 2.388(5) . ? Cu01 N1A 1.999(5) . ? Cu01 N1B 2.022(5) . ? Cu01 N7A 2.018(5) . ? Cu01 N7B 2.262(5) . ? S2D O1D 1.453(5) . ? S2D O4D 1.433(5) . ? S2D O3D 1.427(5) . ? S2D C5D 1.817(9) . ? S2T C5T 1.882(14) . ? S2T O3T 1.448(8) . ? S2T O4T 1.388(10) . ? S2T O1T 1.398(9) . ? C5T F8T 1.328(16) . ? C5T F6T 1.334(16) . ? C5T F7T 1.338(16) . ? O1C H1CA 0.8689 . ? O1C H1CB 0.8681 . ? O15A C13A 1.332(8) . ? O15A C16A 1.452(7) . ? O14A C13A 1.194(8) . ? O19A C17A 1.308(8) . ? O19A C20A 1.453(8) . ? O19B C17B 1.302(8) . ? O19B C20B 1.458(8) . ? O14B C13B 1.199(8) . ? O18B C17B 1.208(8) . ? N1A C6A 1.356(7) . ? N1A C2A 1.330(7) . ? O15B C13B 1.317(8) . ? O15B C16B 1.450(9) . ? N1B C6B 1.354(7) . ? N1B C2B 1.334(8) . ? N7A C12A 1.325(8) . ? N7A C8A 1.347(8) . ? N7B C8B 1.345(7) . ? N7B C12B 1.332(8) . ? F7D C5D 1.328(9) . ? F8D C5D 1.340(10) . ? O18A C17A 1.194(8) . ? N10B C9B 1.334(8) . ? N10B C11B 1.332(8) . ? F6D C5D 1.339(11) . ? C8B C6B 1.476(8) . ? C8B C9B 1.399(8) . ? C6B C5B 1.387(8) . ? C6A C5A 1.378(8) . ? C6A C8A 1.479(8) . ? C3A C2A 1.389(8) . ? C3A C13A 1.489(8) . ? C3A C4A 1.394(8) . ? C2A H2A 0.9300 . ? C4B C3B 1.396(8) . ? C4B C5B 1.381(8) . ? C4B C17B 1.506(8) . ? C5A H5A 0.9300 . ? C5A C4A 1.378(8) . ? N10A C9A 1.347(8) . ? N10A C11A 1.328(10) . ? C2B H2B 0.9300 . ? C2B C3B 1.385(8) . ? C4A C17A 1.517(8) . ? C12A H12A 0.9300 . ? C12A C11A 1.397(10) . ? C3B C13B 1.498(8) . ? C8A C9A 1.380(8) . ? C12B H12B 0.9300 . ? C12B C11B 1.386(9) . ? C9B H9B 0.9300 . ? C5B H5B 0.9300 . ? C11B H11B 0.9300 . ? C9A H9A 0.9300 . ? C11A H11A 0.9300 . ? C20A H20A 0.9600 . ? C20A H20B 0.9600 . ? C20A H20C 0.9600 . ? C16A H16A 0.9600 . ? C16A H16B 0.9600 . ? C16A H16C 0.9600 . ? C20B H20D 0.9600 . ? C20B H20E 0.9600 . ? C20B H20F 0.9600 . ? C16B H16D 0.9600 . ? C16B H16E 0.9600 . ? C16B H16F 0.9600 . ? O2W H2WA 0.8495 . ? O2W H2WB 0.8501 . ? O1W H1WA 0.8498 . ? O1W H1WB 0.8500 . ? 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 O1C Cu01 O1D 85.03(16) . . ? O1C Cu01 N1A 93.48(18) . . ? O1C Cu01 N1B 93.52(18) . . ? O1C Cu01 N7A 171.66(18) . . ? O1C Cu01 N7B 90.40(17) . . ? N1A Cu01 O1D 90.96(18) . . ? N1A Cu01 N1B 171.74(19) . . ? N1A Cu01 N7A 80.58(19) . . ? N1A Cu01 N7B 98.89(19) . . ? N1B Cu01 O1D 94.01(18) . . ? N1B Cu01 N7B 76.69(19) . . ? N7A Cu01 O1D 89.19(18) . . ? N7A Cu01 N1B 92.9(2) . . ? N7A Cu01 N7B 96.28(19) . . ? N7B Cu01 O1D 169.39(17) . . ? O1D S2D C5D 101.6(3) . . ? O4D S2D O1D 114.1(3) . . ? O4D S2D C5D 103.0(4) . . ? O3D S2D O1D 115.0(3) . . ? O3D S2D O4D 116.6(4) . . ? O3D S2D C5D 103.9(4) . . ? O3T S2T C5T 104.2(6) . . ? O4T S2T C5T 102.7(6) . . ? O4T S2T O3T 115.9(5) . . ? O4T S2T O1T 117.4(6) . . ? O1T S2T C5T 100.4(6) . . ? O1T S2T O3T 113.2(6) . . ? F8T C5T S2T 106.9(9) . . ? F8T C5T F6T 113.3(12) . . ? F8T C5T F7T 112.0(13) . . ? F6T C5T S2T 111.2(10) . . ? F6T C5T F7T 110.8(13) . . ? F7T C5T S2T 102.1(10) . . ? Cu01 O1C H1CA 110.7 . . ? Cu01 O1C H1CB 110.5 . . ? H1CA O1C H1CB 103.4 . . ? C13A O15A C16A 115.1(5) . . ? C17A O19A C20A 116.3(6) . . ? S2D O1D Cu01 135.0(3) . . ? C17B O19B C20B 117.6(6) . . ? C6A N1A Cu01 115.4(4) . . ? C2A N1A Cu01 125.5(4) . . ? C2A N1A C6A 118.9(5) . . ? C13B O15B C16B 116.3(6) . . ? C6B N1B Cu01 118.8(4) . . ? C2B N1B Cu01 121.1(4) . . ? C2B N1B C6B 119.9(5) . . ? C12A N7A Cu01 127.8(4) . . ? C12A N7A C8A 117.5(5) . . ? C8A N7A Cu01 114.6(4) . . ? C8B N7B Cu01 111.1(4) . . ? C12B N7B Cu01 131.2(4) . . ? C12B N7B C8B 117.4(5) . . ? C11B N10B C9B 117.4(5) . . ? N7B C8B C6B 116.1(5) . . ? N7B C8B C9B 120.6(5) . . ? C9B C8B C6B 123.3(5) . . ? N1B C6B C8B 116.1(5) . . ? N1B C6B C5B 120.5(5) . . ? C5B C6B C8B 123.3(5) . . ? N1A C6A C5A 121.6(5) . . ? N1A C6A C8A 113.8(5) . . ? C5A C6A C8A 124.5(5) . . ? C2A C3A C13A 119.8(5) . . ? C2A C3A C4A 117.9(5) . . ? C4A C3A C13A 122.0(5) . . ? N1A C2A C3A 122.8(5) . . ? N1A C2A H2A 118.6 . . ? C3A C2A H2A 118.6 . . ? C3B C4B C17B 122.0(5) . . ? C5B C4B C3B 118.8(5) . . ? C5B C4B C17B 119.2(5) . . ? C6A C5A H5A 120.4 . . ? C6A C5A C4A 119.2(5) . . ? C4A C5A H5A 120.4 . . ? C11A N10A C9A 116.5(6) . . ? O15A C13A C3A 111.4(5) . . ? O14A C13A O15A 125.1(6) . . ? O14A C13A C3A 123.5(6) . . ? N1B C2B H2B 118.9 . . ? N1B C2B C3B 122.2(5) . . ? C3B C2B H2B 118.9 . . ? C3A C4A C17A 120.7(5) . . ? C5A C4A C3A 119.5(5) . . ? C5A C4A C17A 119.7(5) . . ? N7A C12A H12A 119.5 . . ? N7A C12A C11A 121.1(6) . . ? C11A C12A H12A 119.5 . . ? C4B C3B C13B 121.2(5) . . ? C2B C3B C4B 118.6(5) . . ? C2B C3B C13B 120.0(5) . . ? O19A C17A C4A 111.0(5) . . ? O18A C17A O19A 125.5(6) . . ? O18A C17A C4A 123.5(6) . . ? N7A C8A C6A 115.0(5) . . ? N7A C8A C9A 121.0(6) . . ? C9A C8A C6A 123.9(5) . . ? N7B C12B H12B 119.2 . . ? N7B C12B C11B 121.5(6) . . ? C11B C12B H12B 119.2 . . ? N10B C9B C8B 121.4(5) . . ? N10B C9B H9B 119.3 . . ? C8B C9B H9B 119.3 . . ? C6B C5B H5B 120.0 . . ? C4B C5B C6B 120.0(5) . . ? C4B C5B H5B 120.0 . . ? O14B C13B O15B 126.1(6) . . ? O14B C13B C3B 122.6(6) . . ? O15B C13B C3B 111.4(5) . . ? N10B C11B C12B 121.5(6) . . ? N10B C11B H11B 119.2 . . ? C12B C11B H11B 119.2 . . ? O19B C17B C4B 110.2(5) . . ? O18B C17B O19B 127.0(6) . . ? O18B C17B C4B 122.8(6) . . ? N10A C9A C8A 121.8(6) . . ? N10A C9A H9A 119.1 . . ? C8A C9A H9A 119.1 . . ? N10A C11A C12A 122.0(6) . . ? N10A C11A H11A 119.0 . . ? C12A C11A H11A 119.0 . . ? O19A C20A H20A 109.5 . . ? O19A C20A H20B 109.5 . . ? O19A C20A H20C 109.5 . . ? H20A C20A H20B 109.5 . . ? H20A C20A H20C 109.5 . . ? H20B C20A H20C 109.5 . . ? O15A C16A H16A 109.5 . . ? O15A C16A H16B 109.5 . . ? O15A C16A H16C 109.5 . . ? H16A C16A H16B 109.5 . . ? H16A C16A H16C 109.5 . . ? H16B C16A H16C 109.5 . . ? O19B C20B H20D 109.5 . . ? O19B C20B H20E 109.5 . . ? O19B C20B H20F 109.5 . . ? H20D C20B H20E 109.5 . . ? H20D C20B H20F 109.5 . . ? H20E C20B H20F 109.5 . . ? F7D C5D S2D 111.6(6) . . ? F7D C5D F8D 108.0(6) . . ? F7D C5D F6D 109.1(7) . . ? F8D C5D S2D 110.2(6) . . ? F6D C5D S2D 110.2(5) . . ? F6D C5D F8D 107.7(8) . . ? O15B C16B H16D 109.5 . . ? O15B C16B H16E 109.5 . . ? O15B C16B H16F 109.5 . . ? H16D C16B H16E 109.5 . . ? H16D C16B H16F 109.5 . . ? H16E C16B H16F 109.5 . . ? H2WA O2W H2WB 109.5 . . ? H1WA O1W H1WB 104.5 . . ? 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 Cu01 N1A C6A C5A -173.9(4) . . . . ? Cu01 N1A C6A C8A 7.4(6) . . . . ? Cu01 N1A C2A C3A 174.7(4) . . . . ? Cu01 N1B C6B C8B 7.6(7) . . . . ? Cu01 N1B C6B C5B -172.8(4) . . . . ? Cu01 N1B C2B C3B 172.4(4) . . . . ? Cu01 N7A C12A C11A 175.8(5) . . . . ? Cu01 N7A C8A C6A -1.9(7) . . . . ? Cu01 N7A C8A C9A -178.7(5) . . . . ? Cu01 N7B C8B C6B -8.6(6) . . . . ? Cu01 N7B C8B C9B 171.7(4) . . . . ? Cu01 N7B C12B C11B -173.7(5) . . . . ? O1D S2D C5D F7D -176.5(6) . . . . ? O1D S2D C5D F8D -56.6(6) . . . . ? O1D S2D C5D F6D 62.1(7) . . . . ? N1A C6A C5A C4A -1.3(9) . . . . ? N1A C6A C8A N7A -3.6(8) . . . . ? N1A C6A C8A C9A 173.1(6) . . . . ? N1B C6B C5B C4B -0.2(9) . . . . ? N1B C2B C3B C4B 0.7(9) . . . . ? N1B C2B C3B C13B 176.4(5) . . . . ? O4D S2D O1D Cu01 15.1(5) . . . . ? O4D S2D C5D F7D -58.2(7) . . . . ? O4D S2D C5D F8D 61.7(6) . . . . ? O4D S2D C5D F6D -179.6(6) . . . . ? N7A C12A C11A N10A 1.9(12) . . . . ? N7A C8A C9A N10A 3.2(11) . . . . ? N7B C8B C6B N1B 1.6(8) . . . . ? N7B C8B C6B C5B -178.0(5) . . . . ? N7B C8B C9B N10B 3.6(9) . . . . ? N7B C12B C11B N10B 3.4(11) . . . . ? O3D S2D O1D Cu01 -123.5(4) . . . . ? O3D S2D C5D F7D 63.8(7) . . . . ? O3D S2D C5D F8D -176.2(6) . . . . ? O3D S2D C5D F6D -57.5(7) . . . . ? C8B N7B C12B C11B -0.6(9) . . . . ? C8B C6B C5B C4B 179.4(5) . . . . ? C6B N1B C2B C3B -2.2(9) . . . . ? C6B C8B C9B N10B -176.1(5) . . . . ? C6A N1A C2A C3A -1.6(8) . . . . ? C6A C5A C4A C3A -1.2(9) . . . . ? C6A C5A C4A C17A 179.8(5) . . . . ? C6A C8A C9A N10A -173.4(7) . . . . ? C3A C4A C17A O19A 116.7(6) . . . . ? C3A C4A C17A O18A -62.8(9) . . . . ? C2A N1A C6A C5A 2.7(8) . . . . ? C2A N1A C6A C8A -175.9(5) . . . . ? C2A C3A C13A O15A -33.4(8) . . . . ? C2A C3A C13A O14A 145.7(6) . . . . ? C2A C3A C4A C5A 2.3(8) . . . . ? C2A C3A C4A C17A -178.7(5) . . . . ? C4B C3B C13B O14B 20.9(9) . . . . ? C4B C3B C13B O15B -160.6(6) . . . . ? C5A C6A C8A N7A 177.8(6) . . . . ? C5A C6A C8A C9A -5.5(10) . . . . ? C5A C4A C17A O19A -64.3(7) . . . . ? C5A C4A C17A O18A 116.2(7) . . . . ? C13A C3A C2A N1A -174.1(5) . . . . ? C13A C3A C4A C5A 175.3(5) . . . . ? C13A C3A C4A C17A -5.7(9) . . . . ? C2B N1B C6B C8B -177.7(5) . . . . ? C2B N1B C6B C5B 1.9(8) . . . . ? C2B C3B C13B O14B -154.7(6) . . . . ? C2B C3B C13B O15B 23.8(8) . . . . ? C4A C3A C2A N1A -0.9(9) . . . . ? C4A C3A C13A O15A 153.7(5) . . . . ? C4A C3A C13A O14A -27.2(9) . . . . ? C12A N7A C8A C6A 175.0(5) . . . . ? C12A N7A C8A C9A -1.8(9) . . . . ? C3B C4B C5B C6B -1.3(9) . . . . ? C3B C4B C17B O19B 66.2(7) . . . . ? C3B C4B C17B O18B -116.4(7) . . . . ? C8A N7A C12A C11A -0.6(10) . . . . ? C8A C6A C5A C4A 177.2(6) . . . . ? C12B N7B C8B C6B 177.0(5) . . . . ? C12B N7B C8B C9B -2.7(8) . . . . ? C9B N10B C11B C12B -2.6(10) . . . . ? C9B C8B C6B N1B -178.7(5) . . . . ? C9B C8B C6B C5B 1.7(9) . . . . ? C5B C4B C3B C2B 1.1(8) . . . . ? C5B C4B C3B C13B -174.6(5) . . . . ? C5B C4B C17B O19B -114.1(6) . . . . ? C5B C4B C17B O18B 63.3(9) . . . . ? C11B N10B C9B C8B -0.8(9) . . . . ? C17B C4B C3B C2B -179.2(6) . . . . ? C17B C4B C3B C13B 5.2(9) . . . . ? C17B C4B C5B C6B 178.9(5) . . . . ? C9A N10A C11A C12A -0.6(12) . . . . ? C11A N10A C9A C8A -1.8(12) . . . . ? C20A O19A C17A O18A -1.3(10) . . . . ? C20A O19A C17A C4A 179.2(5) . . . . ? C16A O15A C13A O14A -4.3(9) . . . . ? C16A O15A C13A C3A 174.8(5) . . . . ? C20B O19B C17B O18B 7.8(10) . . . . ? C20B O19B C17B C4B -174.9(6) . . . . ? C5D S2D O1D Cu01 125.1(4) . . . . ? C16B O15B C13B O14B 1.7(11) . . . . ? C16B O15B C13B C3B -176.7(7) . . . . ? O3T S2T C5T F8T 170.3(9) . . . . ? O3T S2T C5T F6T 46.2(11) . . . . ? O3T S2T C5T F7T -72.0(11) . . . . ? O4T S2T C5T F8T -68.4(11) . . . . ? O4T S2T C5T F6T 167.5(10) . . . . ? O4T S2T C5T F7T 49.3(11) . . . . ? O1T S2T C5T F8T 53.0(11) . . . . ? O1T S2T C5T F6T -71.1(11) . . . . ? O1T S2T C5T F7T 170.7(10) . . . . ? _shelx_res_file ; TITL moc93_a.res in P-1 moc93.res created by SHELXL-2018/3 at 12:17:57 on 25-Oct-2022 REM Old TITL moc93_a.res in P-1 REM SHELXT solution in P-1: R1 0.132, Rweak 0.011, Alpha 0.058 REM 0.000 for 0 systematic absences, Orientation as input REM Formula found by SHELXT: C33 Cu F6 O8 S N12 CELL 0.71073 8.2856 12.1191 19.2393 82.105 86.22 77.071 ZERR 2 0.0003 0.0005 0.0006 0.003 0.003 0.003 LATT 1 SFAC C H Cu F N O S UNIT 56 56 2 12 12 34 4 EADP S2T C5T EADP S2T O1T O4T L.S. 24 PLAN 15 SIZE 0.2 0.15 0.1 TEMP 150 CONF list 4 MORE -1 BOND $H fmap 2 53 acta REM REM REM WGHT 0.174600 19.483700 FVAR 0.42074 CU01 3 0.523854 0.657798 0.714136 11.00000 0.01663 0.01490 = 0.01182 0.00005 -0.00409 -0.00092 S2D 7 0.217063 0.514938 0.672431 11.00000 0.01990 0.02547 = 0.02387 -0.00892 -0.00559 -0.00226 S2T 7 -0.066854 1.131498 0.821839 11.00000 0.06865 0.08590 = 0.06849 0.00190 -0.01571 -0.02158 C5T 1 -0.256603 1.077468 0.856209 11.00000 0.06865 0.08590 = 0.06849 0.00190 -0.01571 -0.02158 O1C 6 0.371447 0.784460 0.755554 11.00000 0.01728 0.01925 = 0.01467 -0.00189 -0.00207 -0.00502 AFIX 7 H1CA 2 0.409322 0.795924 0.794392 11.00000 -1.50000 H1CB 2 0.277861 0.765887 0.768859 11.00000 -1.50000 AFIX 0 O15A 6 0.136265 1.020896 0.556689 11.00000 0.02654 0.01568 = 0.02715 -0.00318 -0.00026 0.00506 O14A 6 0.295594 1.063295 0.462366 11.00000 0.03288 0.01912 = 0.02480 0.00474 -0.00556 -0.00296 O19A 6 0.586994 0.886526 0.373534 11.00000 0.03318 0.02944 = 0.01760 0.00405 0.00335 -0.00323 O1D 6 0.287662 0.574107 0.719451 11.00000 0.02432 0.02654 = 0.02497 -0.01067 -0.00318 -0.00618 O19B 6 0.858513 0.270049 0.985048 11.00000 0.03940 0.02425 = 0.02081 0.00556 -0.00557 0.00037 O14B 6 0.504533 0.332289 1.011438 11.00000 0.03979 0.03290 = 0.02030 0.00334 0.00247 -0.01302 O18B 6 0.840402 0.418934 1.045200 11.00000 0.04492 0.03197 = 0.01897 0.00211 -0.01321 -0.01428 N1A 5 0.476901 0.729069 0.615516 11.00000 0.01583 0.01245 = 0.01383 -0.00205 -0.00292 0.00002 O15B 6 0.377793 0.335502 0.911455 11.00000 0.03164 0.03618 = 0.02696 -0.00028 -0.00013 -0.02294 N1B 5 0.604531 0.576347 0.808474 11.00000 0.01432 0.01913 = 0.01411 0.00183 -0.00363 -0.00265 O4D 6 0.327215 0.476927 0.615717 11.00000 0.03392 0.05858 = 0.02856 -0.02202 0.00409 -0.01308 N7A 5 0.652631 0.530131 0.662254 11.00000 0.01784 0.01521 = 0.01830 -0.00209 -0.00608 -0.00056 N7B 5 0.742645 0.732910 0.731032 11.00000 0.01516 0.01863 = 0.01591 0.00105 -0.00169 -0.00338 F7D 4 0.151088 0.311482 0.692979 11.00000 0.05633 0.02875 = 0.09368 -0.02000 -0.01934 -0.01433 F8D 4 0.355369 0.330038 0.751176 11.00000 0.07935 0.02946 = 0.07376 -0.00304 -0.04253 0.00293 O3D 6 0.049037 0.564420 0.655590 11.00000 0.02634 0.04197 = 0.05061 -0.01266 -0.01583 0.00182 O18A 6 0.319235 0.888623 0.366932 11.00000 0.03942 0.05170 = 0.02067 0.00495 -0.01317 -0.01820 N10B 5 1.040073 0.780545 0.763171 11.00000 0.01655 0.02133 = 0.02560 -0.00282 -0.00223 -0.00490 F6D 4 0.104128 0.404120 0.783805 11.00000 0.10127 0.05015 = 0.05664 -0.00649 0.03263 -0.03089 C8B 1 0.827377 0.675320 0.786899 11.00000 0.01352 0.01678 = 0.01268 0.00035 -0.00355 -0.00201 C6B 1 0.750165 0.589661 0.830479 11.00000 0.01663 0.01743 = 0.01381 -0.00064 -0.00165 -0.00266 C6A 1 0.560833 0.669342 0.564771 11.00000 0.01699 0.01734 = 0.01580 -0.00330 -0.00207 -0.00229 C3A 1 0.361586 0.879396 0.527245 11.00000 0.01517 0.01678 = 0.01832 -0.00115 -0.00365 -0.00321 C2A 1 0.378882 0.830472 0.596759 11.00000 0.01861 0.01299 = 0.01441 -0.00208 -0.00382 -0.00045 AFIX 43 H2A 2 0.319446 0.870277 0.631650 11.00000 -1.20000 AFIX 0 C4B 1 0.738630 0.447638 0.929419 11.00000 0.01694 0.02017 = 0.01400 -0.00065 -0.00206 -0.00112 C5A 1 0.552238 0.713154 0.494768 11.00000 0.01901 0.01828 = 0.01567 -0.00497 -0.00118 -0.00149 AFIX 43 H5A 2 0.612469 0.671569 0.460806 11.00000 -1.20000 AFIX 0 N10A 5 0.808504 0.367673 0.576308 11.00000 0.05472 0.02009 = 0.02894 -0.00666 -0.01166 0.01708 C13A 1 0.262644 0.997843 0.510621 11.00000 0.02161 0.01788 = 0.01590 -0.00371 -0.00808 -0.00033 C2B 1 0.523916 0.503426 0.846282 11.00000 0.01819 0.02110 = 0.01814 -0.00111 -0.00359 -0.00650 AFIX 43 H2B 2 0.422206 0.497085 0.831401 11.00000 -1.20000 AFIX 0 C4A 1 0.453314 0.819333 0.475699 11.00000 0.02219 0.01828 = 0.01253 0.00070 -0.00443 -0.00543 C12A 1 0.725429 0.425599 0.689115 11.00000 0.02769 0.02011 = 0.02015 0.00024 -0.01115 0.00199 AFIX 43 H12A 2 0.725898 0.406328 0.737599 11.00000 -1.20000 AFIX 0 C3B 1 0.586706 0.436862 0.906957 11.00000 0.02054 0.01633 = 0.01537 -0.00248 -0.00061 -0.00381 C17A 1 0.443349 0.868677 0.398869 11.00000 0.03395 0.01380 = 0.01527 -0.00025 -0.00147 -0.00386 C8A 1 0.656193 0.554751 0.591805 11.00000 0.01749 0.01820 = 0.01795 -0.00357 -0.00351 -0.00060 C12B 1 0.805599 0.814434 0.692613 11.00000 0.02180 0.01958 = 0.02325 0.00585 -0.00295 -0.00503 AFIX 43 H12B 2 0.750170 0.855095 0.653410 11.00000 -1.20000 AFIX 0 C9B 1 0.979137 0.697847 0.801561 11.00000 0.01533 0.02187 = 0.02095 -0.00327 -0.00258 -0.00638 AFIX 43 H9B 2 1.038815 0.654228 0.838875 11.00000 -1.20000 AFIX 0 C5B 1 0.818919 0.525575 0.890990 11.00000 0.02089 0.02088 = 0.01514 0.00013 -0.00455 -0.00606 AFIX 43 H5B 2 0.919097 0.535112 0.905670 11.00000 -1.20000 AFIX 0 C13B 1 0.486633 0.361426 0.949786 11.00000 0.02156 0.02162 = 0.01895 -0.00363 -0.00025 -0.00551 C11B 1 0.951758 0.840087 0.709688 11.00000 0.02591 0.02151 = 0.02797 0.00519 -0.00257 -0.00963 AFIX 43 H11B 2 0.989040 0.900258 0.683196 11.00000 -1.20000 AFIX 0 C17B 1 0.816710 0.377363 0.994237 11.00000 0.02000 0.02590 = 0.01870 0.00394 -0.00362 -0.00704 C9A 1 0.736914 0.474760 0.549532 11.00000 0.04522 0.01995 = 0.01919 -0.00493 -0.00335 0.00848 AFIX 43 H9A 2 0.742035 0.495365 0.501191 11.00000 -1.20000 AFIX 0 C11A 1 0.801524 0.343821 0.645785 11.00000 0.04402 0.01848 = 0.02915 -0.00080 -0.01189 0.00731 AFIX 43 H11A 2 0.848676 0.270527 0.666191 11.00000 -1.20000 AFIX 0 F8T 4 -0.278241 1.093434 0.923384 11.00000 0.15835 0.12949 = 0.07058 -0.03549 0.02734 -0.09320 F6T 4 -0.241869 0.968936 0.845946 11.00000 0.13592 0.06921 = 0.15305 -0.04622 0.07061 -0.05168 C20A 1 0.594330 0.932410 0.299814 11.00000 0.05887 0.02954 = 0.01729 0.00494 0.01075 -0.00547 AFIX 137 H20A 2 0.552938 0.885249 0.272204 11.00000 -1.50000 H20B 2 0.707065 0.933693 0.285303 11.00000 -1.50000 H20C 2 0.527835 1.008600 0.293233 11.00000 -1.50000 AFIX 0 C16A 1 0.041750 1.137913 0.548154 11.00000 0.03240 0.01827 = 0.04265 -0.00966 -0.01072 0.00790 AFIX 137 H16A 2 0.010044 1.159545 0.500258 11.00000 -1.50000 H16B 2 0.108453 1.187460 0.560070 11.00000 -1.50000 H16C 2 -0.055750 1.144118 0.578489 11.00000 -1.50000 AFIX 0 C20B 1 0.923355 0.188098 1.044800 11.00000 0.04666 0.02949 = 0.02993 0.01134 -0.00736 0.00361 AFIX 137 H20D 2 0.951387 0.112728 1.031050 11.00000 -1.50000 H20E 2 0.840823 0.190806 1.082337 11.00000 -1.50000 H20F 2 1.020552 0.206798 1.060357 11.00000 -1.50000 AFIX 0 C5D 1 0.205262 0.382613 0.727769 11.00000 0.04495 0.02712 = 0.05141 -0.01458 -0.00661 -0.01050 C16B 1 0.267280 0.267900 0.948282 11.00000 0.06793 0.06985 = 0.04314 -0.00181 0.00184 -0.05967 AFIX 137 H16D 2 0.184411 0.262327 0.917121 11.00000 -1.50000 H16E 2 0.214687 0.303749 0.987884 11.00000 -1.50000 H16F 2 0.329572 0.192867 0.964225 11.00000 -1.50000 AFIX 0 F7T 4 -0.375092 1.146175 0.816867 11.00000 0.06306 0.23679 = 0.10086 -0.03407 -0.02606 0.02732 AFIX 6 O2W 6 0.350788 0.998559 0.932925 11.00000 0.09613 0.10837 = 0.24732 -0.03862 -0.02857 -0.01386 H2WA 2 0.363893 0.940583 0.963988 11.00000 -1.50000 H2WB 2 0.278775 0.994179 0.904516 11.00000 -1.50000 AFIX 6 O1W 6 0.503381 0.828335 0.866527 11.00000 0.04815 0.04658 = 0.02312 -0.00385 -0.00544 -0.01979 H1WA 2 0.421885 0.879446 0.878298 11.00000 -1.50000 H1WB 2 0.585586 0.860240 0.862880 11.00000 -1.50000 AFIX 0 O3T 6 -0.033173 1.093878 0.753081 11.00000 0.06354 0.04734 = 0.04952 -0.00555 -0.00014 -0.00965 O4T 6 -0.118332 1.248455 0.822800 11.00000 0.06865 0.08590 = 0.06849 0.00190 -0.01571 -0.02158 O1T 6 0.047533 1.071367 0.871285 11.00000 0.06865 0.08590 = 0.06849 0.00190 -0.01571 -0.02158 HKLF 4 REM moc93_a.res in P-1 REM wR2 = 0.3109, GooF = S = 1.026, Restrained GooF = 1.026 for all data REM R1 = 0.1091 for 7132 Fo > 4sig(Fo) and 0.1249 for all 8653 data REM 534 parameters refined using 0 restraints END WGHT 0.1746 19.4833 REM Highest difference peak 9.719, deepest hole -2.382, 1-sigma level 0.208 Q1 1 0.0733 1.0033 0.8406 11.00000 0.05 3.13 Q2 1 -0.0213 1.1987 0.8337 11.00000 0.05 2.63 Q3 1 0.2171 0.5984 0.7159 11.00000 0.05 0.95 Q4 1 -0.3382 1.0821 0.8005 11.00000 0.05 0.76 Q5 1 0.0025 1.0727 0.7830 11.00000 0.05 0.62 Q6 1 0.0449 1.1243 0.8845 11.00000 0.05 0.61 Q7 1 -0.1202 1.0887 0.7679 11.00000 0.05 0.60 Q8 1 -0.2980 1.1954 0.8139 11.00000 0.05 0.59 Q9 1 0.7610 0.4083 0.5651 11.00000 0.05 0.59 Q10 1 -0.0689 1.0405 0.8145 11.00000 0.05 0.53 Q11 1 0.8379 0.4426 1.0400 11.00000 0.05 0.52 Q12 1 -0.1145 1.0564 0.8273 11.00000 0.05 0.52 Q13 1 -0.2019 1.0192 0.9372 11.00000 0.05 0.50 Q14 1 0.7870 0.6325 0.8081 11.00000 0.05 0.49 Q15 1 -0.2045 1.2522 0.8146 11.00000 0.05 0.49 ; _shelx_res_checksum 25374 _shelx_hkl_file ; 0 0 -3 277.63 8.01 0 0 -4 193.00 6.85 0 0 4 192.95 5.38 0 0 -5 290.12 9.73 0 0 5 294.22 7.79 0 0 -6 96.49 5.39 0 0 6 96.27 3.89 0 0 -7 456.59 14.83 0 0 7 468.71 11.99 0 0 -8 161.81 8.23 0 0 -8 179.47 8.38 0 0 8 160.83 5.87 0 0 -9 587.24 19.22 0 0 9 606.15 15.42 0 0 -9 612.26 19.11 0 0 -10 17.43 2.95 0 0 10 17.15 2.00 0 0 -11 248.64 12.16 0 0 11 251.10 8.66 0 0 -12 51.12 5.56 0 0 12 56.38 3.78 0 0 -12 53.79 5.87 0 0 -13 58.33 6.10 0 0 13 55.71 3.90 0 0 -13 56.58 6.14 0 0 -14 62.70 6.70 0 0 14 68.89 4.49 0 0 -14 61.34 6.70 0 0 15 1.94 1.35 0 0 -15 -2.08 3.21 0 0 16 25.79 2.98 0 0 -16 24.64 4.59 0 0 17 26.66 3.04 0 0 -17 22.90 5.01 0 0 18 96.29 5.90 0 0 -18 94.23 9.42 0 0 -19 104.30 10.12 0 0 -20 2.91 3.17 0 0 -21 226.81 16.04 0 0 -22 -0.96 3.69 0 0 -23 30.31 6.53 0 0 -24 38.12 7.57 0 1 -23 -5.24 4.67 0 1 -22 88.25 10.45 0 1 -21 46.84 7.45 0 -1 20 74.83 4.85 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10.69 2.64 0 -6 -7 604.97 17.28 0 6 7 605.48 19.80 0 -6 -7 668.40 20.24 0 -6 -8 347.94 12.42 0 -6 -8 405.80 14.67 0 -6 -9 8.11 1.86 0 -6 -9 7.44 2.27 0 -6 -10 572.04 18.96 0 -6 -10 634.37 20.14 0 -6 -11 4.96 1.73 0 -6 -11 6.82 2.52 0 -6 -12 15.70 3.13 0 -6 -12 17.16 3.57 0 -6 -13 -1.00 1.65 0 -6 -13 0.64 1.93 0 -6 -14 65.23 6.46 0 -6 -14 68.20 6.11 0 -6 -15 19.56 3.99 0 -6 -15 24.34 3.88 0 -6 -15 32.10 4.65 0 -6 -16 6.90 2.62 0 -6 -16 10.30 3.28 0 -6 -17 11.27 3.03 0 -6 -17 12.89 3.65 0 -6 -18 2.80 2.20 0 -6 -18 9.06 3.57 0 -6 -19 23.33 3.97 0 -6 -19 31.47 5.26 0 -6 -20 4.50 2.42 0 -6 -20 7.52 3.39 0 -6 -21 54.84 6.00 0 -6 -21 47.99 6.81 0 -6 -22 8.00 2.61 0 6 22 2.33 2.31 0 6 23 38.12 5.79 0 -6 -23 44.70 7.06 0 -6 -24 62.86 8.56 0 -6 -25 10.00 4.47 0 7 -19 17.14 4.92 0 7 -18 1.16 3.77 0 7 -17 70.12 9.01 0 7 -16 26.66 5.61 0 7 -15 64.97 8.29 0 7 -14 79.84 6.74 0 7 -14 76.71 8.58 0 7 -13 123.18 6.51 0 7 -13 106.13 7.87 0 7 -13 136.54 10.96 0 7 -12 53.99 4.19 0 7 -12 53.10 6.03 0 7 -12 50.96 5.31 0 7 -12 42.82 6.42 0 7 -11 89.42 5.62 0 7 -11 92.99 7.72 0 7 -11 97.93 7.27 0 7 -11 83.35 8.17 0 7 -10 199.19 8.89 0 7 -10 208.68 11.30 0 7 -10 206.30 10.72 0 -7 10 211.48 11.28 0 7 -10 185.83 11.91 0 7 -9 123.78 6.81 0 7 -9 118.59 8.13 0 7 -9 129.53 8.30 0 -7 9 139.25 8.88 0 7 -9 125.22 9.27 0 7 -8 63.44 4.80 0 7 -8 65.06 5.66 0 7 -8 66.60 5.78 0 -7 8 72.52 6.15 0 7 -8 65.73 6.45 0 7 -7 96.70 6.10 0 7 -7 92.63 6.51 0 7 -7 105.23 7.29 0 -7 7 118.00 7.87 0 7 -7 111.73 7.86 0 7 -6 52.98 4.42 0 -7 6 59.31 5.70 0 7 -6 59.04 5.37 0 7 -6 61.23 4.84 0 -7 6 56.14 4.75 0 7 -5 56.92 4.72 0 7 -5 58.54 4.53 0 -7 5 69.63 4.92 0 7 -5 55.56 5.22 0 -7 5 67.78 5.84 0 -7 4 1.59 1.31 0 7 -4 4.73 1.72 0 7 -4 1.01 1.17 0 7 -4 0.08 1.61 0 -7 4 1.05 1.72 0 -7 3 203.73 7.71 0 -7 3 206.18 10.45 0 7 -3 191.78 9.97 0 -7 2 150.67 5.93 0 -7 2 161.66 9.02 0 7 -2 144.57 8.50 0 -7 1 578.25 14.58 0 -7 1 627.47 20.09 0 7 -1 612.08 19.92 0 -7 0 30.94 1.90 0 7 0 28.62 3.78 0 -7 -1 893.48 19.09 0 7 1 917.26 26.38 0 -7 -2 409.34 9.51 0 7 2 414.03 15.67 0 7 3 37.12 4.38 0 -7 -4 185.45 6.00 0 7 4 191.37 10.02 0 -7 -5 553.32 14.57 0 7 5 586.69 19.79 0 -7 -5 617.34 20.08 0 -7 -6 35.28 2.81 0 -7 -6 38.25 4.47 0 7 6 40.30 4.65 0 -7 -7 347.49 11.47 0 -7 -7 347.37 14.48 0 7 7 366.74 14.97 0 -7 -8 319.31 11.67 0 -7 -8 327.81 14.59 0 -7 -9 15.26 2.45 0 -7 -9 16.57 3.38 0 -7 -10 5.09 1.88 0 -7 -10 4.02 2.65 0 -7 -11 7.38 2.26 0 -7 -11 7.78 2.92 0 -7 -12 9.61 2.48 0 -7 -12 9.24 2.75 0 -7 -13 0.86 1.58 0 -7 -13 -0.80 2.18 0 -7 -14 1.67 1.43 0 -7 -14 5.12 2.60 0 -7 -15 86.27 7.88 0 -7 -15 81.77 7.13 0 -7 -16 24.58 4.16 0 -7 -17 4.24 2.57 0 -7 -18 39.28 5.13 0 -7 -19 7.55 2.72 0 -7 -20 7.03 2.75 0 -7 -21 132.67 9.71 0 -7 -22 11.83 3.37 0 7 23 46.53 6.99 0 7 24 3.47 2.37 0 8 -19 30.89 7.03 0 8 -18 -0.69 4.08 0 8 -17 2.33 3.57 0 8 -16 29.83 6.15 0 8 -15 96.88 10.17 0 8 -14 12.46 3.97 0 8 -13 -0.96 2.84 0 8 -12 8.68 2.04 0 8 -12 12.23 3.34 0 8 -11 1.36 2.08 0 8 -11 3.16 1.39 0 8 -11 -2.29 3.24 0 8 -10 142.59 7.86 0 8 -10 155.53 9.76 0 8 -10 157.32 9.85 0 -8 10 183.02 11.02 0 8 -10 150.26 10.77 0 8 -9 9.90 2.13 0 8 -9 7.13 2.38 0 8 -9 12.80 3.01 0 -8 9 9.79 2.81 0 8 -9 6.19 3.12 0 8 -8 26.12 3.34 0 8 -8 30.35 3.97 0 8 -8 35.58 4.55 0 8 -8 38.84 5.07 0 -8 8 35.58 4.85 0 8 -7 109.41 6.95 0 8 -7 116.60 7.30 0 -8 7 127.47 8.74 0 8 -7 112.58 8.07 0 8 -7 127.60 8.81 0 8 -6 357.86 14.20 0 8 -6 386.64 14.06 0 8 -6 420.92 16.60 0 -8 6 415.54 16.69 0 8 -6 408.42 16.13 0 -8 5 4.45 1.75 0 8 -5 2.24 1.47 0 8 -5 0.39 1.78 0 8 -5 1.76 2.10 0 -8 5 4.83 2.55 0 8 -4 181.65 9.58 0 -8 4 213.11 8.67 0 -8 4 223.75 11.57 0 8 -4 206.60 11.07 0 8 -4 222.99 10.28 0 8 -3 267.62 12.08 0 -8 3 293.95 9.88 0 -8 3 304.21 13.76 0 8 -3 278.60 13.12 0 -8 2 326.18 9.88 0 -8 2 331.26 14.51 0 8 -2 327.74 14.39 0 -8 1 195.85 6.37 0 8 -1 208.67 10.92 0 -8 1 198.23 10.80 0 -8 0 28.56 1.71 0 8 0 35.94 4.54 0 -8 0 32.57 4.42 0 -8 -1 4.98 2.49 0 8 1 4.90 2.47 0 8 2 15.57 3.06 0 -8 -2 18.21 3.54 0 8 3 271.88 12.86 0 -8 -3 257.44 12.71 0 -8 -4 16.23 1.38 0 -8 -4 19.09 3.86 0 8 4 20.60 3.71 0 -8 -5 571.96 14.48 0 8 5 617.42 21.33 0 -8 -5 617.53 21.20 0 -8 -6 126.08 5.46 0 8 6 133.47 8.90 0 -8 -6 129.45 8.71 0 -8 -7 57.95 3.91 0 8 7 63.82 6.16 0 -8 -7 58.53 5.90 0 -8 -8 23.75 2.64 0 -8 -8 21.53 4.09 0 -8 -9 97.33 5.94 0 -8 -9 105.45 8.04 0 -8 -10 17.65 2.74 0 -8 -10 15.53 3.45 0 -8 -11 137.81 8.12 0 -8 -11 151.42 9.87 0 -8 -12 158.53 9.30 0 -8 -12 185.08 10.89 0 -8 -13 0.74 1.48 0 -8 -13 1.13 2.17 0 -8 -14 24.55 3.98 0 -8 -14 28.76 4.55 0 -8 -15 80.89 7.36 0 -8 -15 79.66 7.48 0 -8 -16 4.43 2.45 0 -8 -17 121.14 9.38 0 -8 -18 286.10 14.99 0 -8 -19 154.86 10.93 0 -8 -20 132.87 10.19 0 -8 -21 17.67 3.79 0 -8 -22 65.00 7.11 0 8 24 23.22 5.30 0 9 -18 5.27 4.10 0 9 -17 8.83 4.21 0 9 -16 6.76 4.63 0 9 -15 2.76 3.19 0 9 -14 55.62 7.79 0 9 -13 0.22 2.83 0 9 -12 57.80 7.57 0 9 -11 187.76 11.51 0 9 -11 183.15 9.55 0 -9 11 212.47 12.85 0 9 -11 213.28 13.68 0 9 -10 14.21 3.17 0 9 -10 10.73 2.33 0 -9 10 15.06 3.41 0 9 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-18 65.90 6.87 2 -5 -17 133.05 10.01 2 -5 -17 122.48 8.89 2 -5 -16 16.52 3.97 2 -5 -16 11.15 3.10 2 -5 -15 266.11 14.12 2 -5 -15 284.20 12.96 2 -5 -14 11.15 2.82 2 -5 -14 15.01 3.57 2 -5 -13 9.85 2.69 2 -5 -13 12.52 3.55 2 -5 -12 96.99 7.46 2 -5 -12 110.21 8.41 2 -5 -12 116.22 6.81 2 -5 -11 11.40 2.69 2 -5 -11 12.20 3.36 2 -5 -11 9.02 2.05 2 -5 -10 191.27 9.82 2 -5 -10 216.98 11.59 2 -5 -10 216.10 8.58 2 -5 -9 55.77 4.75 -2 5 9 62.92 5.15 2 -5 -9 57.33 5.90 2 -5 -9 60.08 3.86 -2 5 8 650.45 18.72 2 -5 -8 584.16 18.12 2 -5 -8 637.24 21.34 -2 5 7 71.64 4.89 2 -5 -7 66.96 4.77 2 -5 -7 82.51 6.81 2 -5 -6 2815.23 61.86 -2 5 6 3000.60 62.12 -2 5 5 337.25 10.24 -2 5 4 287.07 8.41 -2 5 3 540.54 12.74 -2 5 3 542.25 17.93 2 -5 -3 535.85 12.26 -2 5 2 321.67 7.75 -2 5 2 325.31 12.90 2 -5 -2 325.20 8.48 -2 5 1 620.35 19.53 2 -5 -1 621.04 15.07 -2 5 0 78.73 5.84 2 -5 0 85.04 4.17 -2 5 -1 26.93 3.34 -2 5 -1 27.31 3.35 2 -5 1 27.83 2.59 -2 5 -2 331.40 12.88 -2 5 -2 328.76 9.39 -2 5 -2 322.89 12.39 -2 5 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4 4 7 838.77 21.72 4 4 8 71.56 4.38 4 4 8 85.27 6.66 4 4 9 198.37 7.72 4 4 9 232.07 12.15 4 4 9 227.68 11.55 4 4 10 67.95 4.01 4 4 10 74.34 7.06 4 4 10 77.03 6.73 4 4 11 405.13 11.71 4 4 11 429.16 17.34 4 4 11 435.05 18.28 4 4 12 21.73 4.10 4 4 12 17.14 1.89 4 4 12 15.39 3.71 4 4 13 1.56 2.15 4 4 14 1.90 2.49 4 4 15 65.95 6.90 4 4 16 38.90 5.71 4 4 17 34.20 5.25 4 4 18 71.01 7.67 4 4 19 25.62 4.97 4 4 20 6.46 3.16 4 4 21 2.96 2.59 4 4 22 15.95 4.06 4 4 23 20.82 4.60 4 4 24 102.77 9.96 4 4 25 15.82 4.23 -4 -5 19 -0.18 2.45 -4 -5 18 146.09 13.62 -4 -5 17 0.70 3.65 -4 -5 16 41.78 7.04 -4 -5 15 96.77 10.13 -4 -5 14 7.59 3.60 -4 -5 13 50.01 7.11 -4 -5 12 35.44 5.78 -4 -5 11 15.08 4.08 -4 -5 10 32.90 5.26 -4 -5 9 70.47 7.28 -4 -5 8 153.34 10.56 4 5 -8 154.41 5.05 4 5 -8 155.81 10.11 -4 -5 7 53.20 6.25 4 5 -7 56.28 3.25 4 5 -7 49.23 5.55 -4 -5 6 134.25 9.38 4 5 -6 124.04 5.56 4 5 -6 128.00 8.76 -4 -5 5 8.49 3.01 4 5 -5 12.57 1.94 4 5 -5 10.60 2.58 -4 -5 4 459.17 18.13 4 5 -4 480.34 14.20 4 5 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18 86.14 10.64 -4 -6 17 3.47 2.73 -4 -6 16 21.06 5.43 -4 -6 15 12.08 4.48 -4 -6 14 5.39 3.05 -4 -6 13 0.54 2.21 -4 -6 12 74.43 8.24 -4 -6 11 106.88 10.01 -4 -6 10 254.84 14.68 -4 -6 9 101.25 8.95 -4 -6 8 199.98 12.50 4 6 -8 212.32 6.63 -4 -6 7 478.24 19.63 4 6 -7 474.78 13.03 -4 -6 6 10.52 3.43 4 6 -6 9.79 1.76 4 6 -6 12.43 2.83 -4 -6 5 48.93 5.77 4 6 -5 48.80 5.57 4 6 -5 55.34 3.93 -4 -6 4 71.55 6.67 4 6 -4 74.31 6.56 4 6 -4 66.50 4.58 -4 -6 3 156.06 9.85 4 6 -3 163.56 9.58 4 6 -3 151.91 7.52 4 6 -2 32.97 4.19 4 6 -2 34.78 3.67 4 6 -1 96.49 7.18 4 6 -1 104.28 6.44 4 6 0 69.27 5.86 4 6 0 67.42 5.34 4 6 1 131.02 8.12 4 6 1 147.93 8.21 4 6 2 332.58 13.67 4 6 2 345.75 13.53 4 6 3 200.04 10.00 4 6 3 210.33 10.51 4 6 4 229.08 10.62 -4 -6 -4 244.87 11.14 4 6 4 243.28 11.58 4 6 5 5.47 1.87 -4 -6 -5 2.86 1.74 4 6 5 2.78 2.22 4 6 6 230.20 10.36 -4 -6 -6 232.13 10.59 4 6 6 244.01 12.04 4 6 7 37.16 4.88 4 6 7 28.57 3.41 -4 -6 -7 29.12 3.56 4 6 8 45.88 4.29 -4 -6 -8 52.67 4.63 4 6 8 54.85 6.08 4 6 9 23.12 4.43 4 6 9 17.00 2.59 -4 -6 -9 21.27 2.99 4 6 10 2.08 2.63 4 6 10 1.83 1.30 -4 -6 -10 4.28 1.59 4 6 11 0.69 2.14 4 6 11 2.90 1.31 4 6 11 6.62 2.90 -4 -6 -11 2.61 1.36 4 6 12 148.37 7.57 -4 -6 -12 173.58 8.15 4 6 12 160.17 10.71 4 6 12 169.83 11.02 4 6 13 88.64 5.64 -4 -6 -13 104.98 6.12 4 6 13 99.52 8.84 4 6 14 37.00 5.70 -4 -6 -14 37.47 3.51 4 6 15 2.35 2.68 -4 -6 -15 3.31 1.41 -4 -6 -16 179.39 7.87 4 6 16 185.29 12.55 4 6 17 17.99 4.41 -4 -6 -17 18.91 2.43 4 6 18 3.92 3.07 4 6 19 128.27 10.90 4 6 20 -0.20 2.41 4 6 21 206.70 14.38 4 6 22 -2.30 2.25 4 6 23 105.21 10.52 4 6 24 52.35 7.53 4 6 25 13.62 4.71 -4 -7 18 18.59 5.03 -4 -7 17 -2.05 2.32 -4 -7 16 7.54 4.15 -4 -7 15 0.18 2.91 -4 -7 14 21.04 5.20 -4 -7 13 126.84 11.42 -4 -7 12 14.78 4.54 -4 -7 11 5.81 3.31 -4 -7 10 3.73 2.47 -4 -7 9 3.18 2.48 4 7 -9 2.94 0.68 -4 -7 8 206.89 12.89 4 7 -8 220.84 7.38 -4 -7 7 3.36 2.52 4 7 -7 2.30 1.04 -4 -7 6 498.77 20.16 4 7 -6 485.39 14.54 -4 -7 5 38.19 5.42 4 7 -5 35.65 3.45 -4 -7 4 214.81 11.94 4 7 -4 204.59 11.67 4 7 -4 216.05 9.26 -4 -7 3 120.41 8.64 4 7 -3 111.31 8.25 4 7 -3 119.17 6.80 -4 -7 2 33.38 5.01 4 7 -2 30.77 3.68 4 7 -2 29.88 4.38 4 7 -1 443.24 17.53 4 7 -1 440.77 15.51 4 7 0 240.49 12.05 4 7 0 235.66 10.84 4 7 1 185.84 10.40 4 7 1 201.06 10.14 4 7 2 4.01 1.80 4 7 2 7.63 2.94 -4 -7 -2 1.84 2.11 4 7 3 14.07 2.87 4 7 3 14.38 3.11 -4 -7 -3 17.89 3.32 4 7 4 44.17 4.83 -4 -7 -4 50.53 5.23 4 7 4 54.85 5.55 4 7 5 68.26 5.79 -4 -7 -5 73.54 6.17 4 7 5 74.36 6.61 4 7 6 77.27 6.13 -4 -7 -6 80.86 6.41 4 7 6 91.74 7.56 4 7 7 9.08 2.49 4 7 7 7.00 2.95 -4 -7 -7 10.41 2.78 -4 -7 -8 295.21 12.45 4 7 8 253.27 11.70 4 7 8 287.52 14.20 -4 -7 -9 42.80 4.52 4 7 9 36.20 3.96 4 7 9 41.31 5.63 4 7 10 92.78 6.48 -4 -7 -10 94.21 6.69 4 7 10 92.53 7.84 4 7 10 99.42 8.36 4 7 11 150.72 8.41 -4 -7 -11 168.94 8.92 4 7 11 177.96 11.09 4 7 11 189.28 11.77 4 7 12 3.14 1.56 -4 -7 -12 4.83 2.01 4 7 12 2.04 2.66 4 7 12 4.62 2.52 -4 -7 -13 117.98 7.16 4 7 13 99.83 6.67 4 7 13 110.85 9.38 4 7 14 7.54 2.98 4 7 14 8.17 1.99 -4 -7 -14 13.28 2.59 -4 -7 -15 138.27 7.72 4 7 15 145.05 11.03 -4 -7 -16 306.76 12.08 4 7 16 309.92 16.98 4 7 17 12.89 3.79 -4 -7 -17 21.19 2.90 4 7 18 -0.36 2.57 4 7 19 4.19 3.28 4 7 20 208.60 14.83 4 7 21 142.54 12.30 4 7 22 121.22 11.55 4 7 23 120.90 11.59 4 7 24 3.37 3.35 -4 -8 18 43.56 8.02 -4 -8 17 19.12 5.46 -4 -8 16 16.78 5.07 -4 -8 15 15.56 4.80 -4 -8 14 60.18 8.11 -4 -8 13 13.85 3.92 -4 -8 12 212.88 14.54 -4 -8 11 384.75 19.70 -4 -8 10 -0.05 2.50 -4 -8 9 148.88 11.19 4 8 -9 130.85 5.11 -4 -8 8 158.53 11.34 4 8 -8 172.35 6.90 -4 -8 7 70.38 7.32 4 8 -7 71.84 4.58 -4 -8 6 149.37 10.46 4 8 -6 147.58 7.23 -4 -8 5 85.03 7.61 4 8 -5 71.18 5.18 -4 -8 4 279.29 14.00 4 8 -4 269.43 11.22 -4 -8 3 17.92 3.75 4 8 -3 19.75 3.20 -4 -8 2 74.90 7.09 4 8 -2 77.36 5.98 4 8 0 110.25 8.18 -4 -8 0 109.34 8.49 4 8 1 187.13 10.77 -4 -8 -1 189.36 11.28 4 8 2 51.14 5.46 -4 -8 -2 51.72 5.70 4 8 3 23.89 3.82 -4 -8 -3 25.38 4.10 4 8 4 13.54 3.10 -4 -8 -4 10.69 2.96 4 8 5 75.94 6.55 -4 -8 -5 74.89 6.62 4 8 6 6.97 2.27 -4 -8 -6 5.04 2.31 -4 -8 -7 80.49 6.89 4 8 7 92.24 7.10 -4 -8 -8 80.80 6.63 4 8 8 67.96 6.06 4 8 9 32.93 4.21 -4 -8 -9 37.20 4.63 4 8 9 49.66 6.32 4 8 10 11.56 2.76 4 8 10 5.80 3.23 4 8 10 11.27 3.54 -4 -8 -10 3.50 2.07 4 8 11 2.12 1.61 4 8 11 4.99 2.51 4 8 11 0.01 2.57 -4 -8 -11 1.50 1.77 4 8 12 126.46 8.22 -4 -8 -12 149.90 8.82 4 8 12 152.81 11.31 4 8 12 131.86 9.60 4 8 13 64.16 5.68 -4 -8 -13 77.95 6.32 4 8 13 80.09 8.30 4 8 14 112.62 7.70 -4 -8 -14 138.65 8.41 4 8 14 144.84 11.25 -4 -8 -15 96.63 6.96 4 8 15 104.65 9.76 4 8 16 4.21 3.62 -4 -8 -16 0.56 1.46 -4 -8 -17 165.05 9.17 4 8 17 174.25 13.15 4 8 18 58.41 7.89 4 8 19 1.28 2.84 4 8 20 1.07 2.93 4 8 21 1.73 2.99 4 8 22 126.17 11.91 4 8 23 -0.34 2.66 -4 -9 17 236.21 18.19 -4 -9 16 11.00 4.23 -4 -9 15 37.43 6.89 -4 -9 14 110.94 11.38 -4 -9 13 6.21 3.63 -4 -9 12 73.53 8.88 -4 -9 11 29.32 5.43 -4 -9 10 66.95 7.84 -4 -9 9 12.67 3.96 4 9 -9 13.42 1.84 -4 -9 8 20.87 4.48 4 9 -8 25.24 2.77 -4 -9 7 53.25 6.58 4 9 -7 56.67 4.41 -4 -9 6 17.76 3.71 4 9 -6 16.66 2.74 -4 -9 5 70.69 7.22 4 9 -5 79.41 5.79 -4 -9 4 85.86 7.74 -4 -9 3 26.96 4.32 -4 -9 2 45.57 5.62 -4 -9 1 25.09 4.46 -4 -9 1 21.67 4.42 -4 -9 0 107.30 8.94 -4 -9 -1 117.39 9.21 -4 -9 -2 37.88 5.28 -4 -9 -3 75.79 7.19 -4 -9 -4 319.96 15.29 -4 -9 -5 43.72 5.55 -4 -9 -6 106.05 8.43 4 9 6 106.34 8.22 -4 -9 -7 89.31 7.57 4 9 7 80.13 7.10 4 9 8 67.78 6.43 -4 -9 -8 60.43 6.18 4 9 9 148.63 9.59 -4 -9 -9 150.66 9.72 -4 -9 -10 104.02 7.94 4 9 10 88.26 7.32 4 9 10 85.41 7.58 -4 -9 -11 149.11 9.54 4 9 11 149.19 9.61 4 9 11 150.90 10.19 -4 -9 -12 72.38 6.47 4 9 12 60.57 6.07 4 9 12 70.72 7.91 4 9 12 58.80 6.46 -4 -9 -13 84.22 7.07 4 9 13 71.01 6.50 4 9 13 76.40 8.46 -4 -9 -14 67.64 6.31 4 9 14 58.24 5.87 4 9 14 78.46 8.76 -4 -9 -15 19.27 3.62 4 9 15 26.92 5.71 -4 -9 -16 107.82 7.91 4 9 16 112.72 10.75 4 9 17 27.67 5.85 -4 -9 -17 27.60 4.02 4 9 18 63.50 8.37 4 9 19 36.92 6.66 4 9 20 5.31 3.36 4 9 21 5.23 3.29 -4 -10 16 1.02 2.75 -4 -10 15 71.98 9.69 -4 -10 14 1.11 2.54 -4 -10 13 16.80 4.72 -4 -10 12 321.15 18.95 -4 -10 11 3.12 3.21 -4 -10 10 24.57 5.18 -4 -10 9 16.76 4.09 -4 -10 8 10.14 3.46 4 10 -8 13.08 2.32 -4 -10 7 39.25 5.94 4 10 -7 39.12 4.00 -4 -10 6 25.73 4.36 4 10 -6 27.44 3.61 -4 -10 5 79.80 7.82 -4 -10 4 3.77 2.34 -4 -10 3 21.41 4.08 -4 -10 2 24.06 4.11 -4 -10 2 21.65 4.67 -4 -10 1 44.33 5.44 -4 -10 1 43.90 6.16 -4 -10 0 92.92 7.72 -4 -10 0 83.70 8.26 -4 -10 -1 389.07 18.42 -4 -10 -2 3.86 2.54 -4 -10 -3 10.80 3.31 -4 -10 -4 217.27 12.93 -4 -10 -5 28.05 4.87 -4 -10 -6 462.17 19.61 -4 -10 -7 5.58 2.73 -4 -10 -8 74.40 7.32 -4 -10 -9 129.27 9.50 -4 -10 -10 65.94 6.74 4 10 10 64.57 6.49 4 10 11 10.71 3.20 -4 -10 -11 6.90 2.68 -4 -10 -12 11.00 3.49 4 10 12 13.41 3.38 -4 -10 -13 118.49 8.94 -4 -10 -14 73.31 7.02 4 10 14 87.99 9.73 -4 -10 -15 46.87 5.57 4 10 15 42.43 6.95 -4 -10 -16 19.96 3.85 4 10 16 24.38 5.25 -4 -10 -17 0.84 1.49 4 10 17 -0.63 3.25 4 10 18 7.55 3.88 4 10 19 7.22 3.99 4 10 20 0.77 2.86 -4 -11 16 60.95 9.23 -4 -11 15 63.35 9.24 -4 -11 14 22.96 5.44 -4 -11 13 1.47 2.46 -4 -11 12 114.60 11.28 -4 -11 11 57.19 7.79 -4 -11 10 1.22 2.90 -4 -11 9 11.15 3.43 -4 -11 8 1.38 2.05 -4 -11 7 221.91 13.97 4 11 -7 232.17 10.81 -4 -11 6 47.28 6.21 -4 -11 5 59.95 6.96 -4 -11 4 137.23 10.01 -4 -11 3 12.52 3.41 -4 -11 2 36.20 5.12 -4 -11 2 44.41 6.50 -4 -11 1 8.84 2.91 -4 -11 1 12.05 3.89 -4 -11 0 19.21 3.69 -4 -11 0 16.00 4.15 -4 -11 -1 47.79 5.74 -4 -11 -1 49.53 6.70 -4 -11 -2 40.12 6.04 -4 -11 -3 284.77 15.90 -4 -11 -4 293.71 16.07 -4 -11 -5 15.23 4.16 -4 -11 -6 564.55 23.20 -4 -11 -7 38.15 5.73 -4 -11 -8 181.61 12.14 -4 -11 -9 51.85 6.35 -4 -11 -10 230.85 13.55 4 11 10 217.88 12.20 -4 -11 -11 51.82 6.39 -4 -11 -12 22.27 4.26 -4 -11 -13 1.51 2.04 -4 -11 -14 9.30 2.64 -4 -11 -15 1.94 2.00 4 11 16 -0.39 3.31 -4 -11 -16 2.58 1.97 -4 -11 -17 3.85 2.19 4 11 17 6.02 4.35 4 11 18 0.84 2.92 -4 -12 14 63.18 8.85 -4 -12 13 8.79 3.91 -4 -12 12 3.11 2.87 -4 -12 11 9.26 3.67 -4 -12 10 4.64 3.02 -4 -12 9 7.11 3.43 -4 -12 8 9.51 3.05 -4 -12 7 6.73 2.90 -4 -12 6 8.51 2.86 -4 -12 5 88.77 8.37 -4 -12 4 43.09 5.89 -4 -12 3 119.55 9.46 -4 -12 3 143.82 12.37 -4 -12 2 129.70 9.66 -4 -12 2 137.14 11.82 -4 -12 1 151.47 10.22 -4 -12 1 145.58 12.15 -4 -12 0 209.59 12.16 -4 -12 0 212.86 14.67 -4 -12 -1 16.04 3.59 -4 -12 -1 16.19 4.61 -4 -12 -2 44.00 5.34 -4 -12 -2 38.74 6.16 -4 -12 -3 61.92 7.54 -4 -12 -4 9.54 3.39 -4 -12 -5 205.45 13.83 -4 -12 -6 213.68 14.02 -4 -12 -7 304.72 16.95 -4 -12 -8 8.49 3.37 -4 -12 -9 97.92 9.13 -4 -12 -10 8.89 3.50 -4 -12 -11 -0.48 1.93 -4 -12 -12 61.49 7.35 -4 -12 -13 7.35 3.15 -4 -12 -14 1.70 2.17 -4 -12 -15 5.41 2.70 -4 -12 -16 57.96 7.02 -4 -12 -17 9.79 3.38 -4 -13 10 7.49 3.22 -4 -13 9 14.78 4.04 -4 -13 8 64.93 7.74 -4 -13 7 2.09 2.42 -4 -13 6 195.94 13.09 -4 -13 5 137.18 10.72 -4 -13 4 18.32 3.98 -4 -13 3 219.73 13.19 -4 -13 3 228.67 16.03 -4 -13 2 102.35 8.63 -4 -13 2 120.93 11.76 -4 -13 1 244.05 13.53 -4 -13 1 261.57 17.16 -4 -13 0 25.50 4.33 -4 -13 0 33.15 6.34 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78.19 6.31 -5 -3 -3 78.44 6.28 5 3 4 767.37 23.53 5 3 4 693.60 21.06 -5 -3 -4 768.76 23.69 5 3 5 339.40 14.25 5 3 5 308.90 11.77 -5 -3 -5 333.06 14.25 5 3 6 3.82 2.38 5 3 6 3.49 1.36 -5 -3 -6 5.89 2.46 5 3 7 264.27 12.57 5 3 7 236.59 9.21 -5 -3 -7 265.63 12.86 5 3 8 76.47 6.72 5 3 8 68.83 4.31 -5 -3 -8 71.29 6.58 5 3 9 282.20 13.66 5 3 9 263.91 9.08 5 3 9 296.16 15.04 -5 -3 -9 285.16 13.97 5 3 10 249.41 12.90 5 3 10 234.52 7.81 5 3 11 24.66 4.21 5 3 11 26.19 1.93 5 3 12 61.40 6.77 5 3 13 34.34 5.40 5 3 14 38.06 5.62 5 3 15 132.93 10.17 5 3 16 10.77 3.12 5 3 17 24.72 4.78 5 3 18 72.07 7.93 5 3 19 5.40 3.11 5 3 20 119.94 10.46 5 3 21 47.45 6.89 5 3 22 10.24 3.83 5 3 23 49.73 7.11 5 3 24 -0.01 1.87 -5 -4 19 20.76 5.67 -5 -4 18 103.46 11.60 -5 -4 17 15.20 5.16 -5 -4 16 28.75 6.40 -5 -4 15 45.57 7.12 -5 -4 14 9.23 3.80 -5 -4 13 23.46 4.75 -5 -4 12 14.98 4.33 -5 -4 11 334.76 17.99 -5 -4 10 4.62 3.14 -5 -4 9 185.67 12.29 5 4 -9 182.16 6.52 -5 -4 8 58.99 6.88 5 4 -8 55.25 3.64 -5 -4 7 85.81 8.13 5 4 -7 89.41 4.97 -5 -4 6 41.07 5.63 5 4 -6 39.92 3.53 -5 -4 5 112.13 8.93 5 4 -5 106.57 6.06 -5 -4 4 134.18 9.56 5 4 -4 132.78 6.93 -5 -4 4 116.44 6.54 5 4 -3 134.53 7.13 -5 -4 3 116.00 6.71 5 4 -2 1.24 1.44 -5 -4 2 0.90 1.21 5 4 -1 196.20 9.31 -5 -4 1 183.69 9.14 5 4 0 141.26 7.89 5 4 0 145.67 8.67 -5 -4 0 136.80 7.92 5 4 1 1841.74 44.73 5 4 1 1894.40 45.80 -5 -4 -1 1773.98 44.85 5 4 2 886.60 25.84 5 4 2 852.97 25.37 -5 -4 -2 880.58 25.96 5 4 3 156.71 8.96 5 4 3 132.93 7.77 -5 -4 -3 145.47 8.75 5 4 4 444.60 16.60 5 4 4 405.26 14.82 5 4 5 10.24 2.97 5 4 5 12.39 2.23 5 4 6 103.53 7.70 5 4 6 103.83 6.17 5 4 7 115.62 8.21 5 4 7 109.06 6.22 5 4 8 6.96 2.96 5 4 8 8.08 1.66 5 4 9 20.37 4.04 5 4 9 15.63 2.19 5 4 10 114.13 8.62 5 4 10 99.34 5.30 5 4 11 14.91 3.82 5 4 11 13.25 1.79 5 4 12 20.12 4.21 5 4 12 16.60 1.79 5 4 13 314.53 15.91 5 4 14 30.82 5.20 5 4 15 8.39 3.51 5 4 16 31.91 5.43 5 4 17 33.65 5.57 5 4 18 85.06 8.84 5 4 19 27.83 5.17 5 4 20 71.37 8.36 5 4 21 3.56 3.06 5 4 22 112.76 10.66 5 4 23 17.81 4.71 5 4 24 -0.99 2.36 -5 -5 18 22.52 5.77 -5 -5 17 32.21 6.66 -5 -5 16 7.74 3.98 -5 -5 15 2.43 2.90 -5 -5 14 99.15 10.40 -5 -5 13 -1.85 3.20 -5 -5 12 0.37 3.15 -5 -5 11 125.19 10.91 -5 -5 10 56.77 7.35 -5 -5 9 43.91 6.46 5 5 -9 45.01 2.65 -5 -5 8 -0.53 3.05 5 5 -8 2.07 1.05 -5 -5 7 359.26 17.42 5 5 -7 363.22 11.57 -5 -5 6 41.32 5.87 5 5 -6 55.66 4.09 -5 -5 5 67.20 7.36 5 5 -5 69.36 4.80 5 5 -5 62.79 6.40 -5 -5 4 111.67 8.97 5 5 -4 112.08 6.39 5 5 -4 113.39 8.53 5 5 -3 269.62 10.85 5 5 -3 261.46 13.14 5 5 -2 16.77 2.79 5 5 -2 10.02 2.55 5 5 -1 6.41 2.39 5 5 -1 6.01 2.04 5 5 0 246.45 11.09 5 5 0 254.46 12.20 5 5 1 568.51 18.96 5 5 1 565.57 19.58 5 5 2 2.21 2.07 5 5 2 2.58 1.91 5 5 3 104.04 6.96 5 5 3 116.40 7.85 5 5 4 245.51 11.18 5 5 4 274.42 12.54 5 5 5 3.79 2.43 5 5 5 2.59 1.63 5 5 6 62.63 5.06 5 5 6 63.84 6.28 5 5 7 57.74 4.61 5 5 7 70.06 6.61 5 5 8 4.21 2.78 5 5 8 2.38 1.29 5 5 9 78.64 5.25 5 5 9 80.19 7.24 5 5 10 10.57 3.52 5 5 10 9.60 1.87 5 5 11 89.67 5.26 5 5 11 89.51 8.01 5 5 12 239.34 8.96 5 5 12 265.25 14.33 5 5 13 46.29 3.47 5 5 13 56.99 6.62 5 5 14 256.65 14.69 5 5 15 7.32 3.37 5 5 16 39.45 6.06 5 5 17 80.21 8.56 5 5 18 -1.33 2.63 5 5 19 356.82 19.30 5 5 20 31.13 5.77 5 5 21 74.30 8.62 5 5 22 79.01 9.12 5 5 23 14.27 4.61 5 5 24 14.50 4.13 -5 -6 18 -2.71 3.11 -5 -6 17 67.37 9.47 -5 -6 16 4.69 3.08 -5 -6 15 18.13 5.33 -5 -6 14 6.36 3.22 -5 -6 13 25.76 5.50 -5 -6 12 3.79 2.94 -5 -6 11 0.42 2.71 -5 -6 10 109.88 10.04 5 6 -9 81.50 3.58 -5 -6 9 75.71 8.16 5 6 -8 64.96 3.76 -5 -6 8 65.21 7.36 5 6 -7 730.69 19.25 -5 -6 7 706.43 26.66 5 6 -6 10.75 2.12 -5 -6 6 16.20 4.72 5 6 -5 83.42 5.37 -5 -6 5 85.51 8.13 5 6 -4 2.71 1.55 -5 -6 4 10.83 4.10 5 6 -3 73.17 5.38 -5 -6 3 70.37 7.43 5 6 -3 69.56 6.57 5 6 -2 8.92 2.43 5 6 -2 10.80 2.91 5 6 -1 2.00 1.80 5 6 -1 1.08 1.66 5 6 0 120.22 8.36 5 6 0 120.90 7.68 5 6 1 145.96 9.04 5 6 1 145.35 8.59 5 6 2 539.68 19.30 5 6 2 555.91 19.31 5 6 3 54.59 5.35 5 6 3 51.07 5.52 5 6 4 3.72 2.66 5 6 4 1.22 1.36 5 6 5 26.61 4.17 5 6 5 25.89 3.60 5 6 6 34.58 4.81 5 6 6 28.55 3.64 5 6 7 10.93 3.52 5 6 7 7.94 2.10 5 6 8 89.13 6.16 5 6 8 93.21 7.88 5 6 9 243.36 10.65 5 6 9 234.92 13.18 5 6 10 0.70 2.72 5 6 10 -0.12 1.26 5 6 11 111.13 6.55 5 6 11 131.34 9.91 5 6 12 3.95 3.14 5 6 12 1.13 0.92 5 6 13 63.17 4.59 5 6 13 83.64 8.20 5 6 14 157.31 7.35 5 6 14 170.21 11.95 5 6 15 4.51 3.17 5 6 16 80.25 8.55 5 6 17 59.39 7.49 5 6 18 196.40 14.01 5 6 19 171.18 13.22 5 6 20 22.43 5.04 5 6 21 188.54 14.23 5 6 22 -1.89 2.68 5 6 23 4.05 2.58 -5 -7 17 -0.14 2.75 -5 -7 16 -4.68 3.81 -5 -7 15 99.90 11.06 -5 -7 14 20.13 5.24 -5 -7 13 47.14 7.34 -5 -7 12 66.49 8.43 -5 -7 11 0.55 2.73 -5 -7 10 60.46 7.68 -5 -7 9 47.60 6.55 5 7 -9 36.87 2.38 -5 -7 8 92.04 8.94 5 7 -8 92.60 4.75 -5 -7 7 5.67 2.98 5 7 -7 6.13 1.52 -5 -7 6 114.61 9.67 5 7 -6 112.04 6.20 -5 -7 5 56.21 6.94 5 7 -5 58.05 4.61 -5 -7 4 2.40 2.79 5 7 -4 4.58 1.82 -5 -7 3 26.14 4.96 5 7 -3 25.42 3.46 5 7 -2 52.08 4.87 5 7 -1 16.78 3.09 5 7 -1 16.52 3.39 5 7 0 122.12 8.66 5 7 0 115.54 7.64 5 7 1 42.16 4.86 5 7 1 41.10 4.95 5 7 2 329.56 14.72 5 7 2 310.21 13.92 5 7 3 15.74 3.52 5 7 3 13.54 2.97 5 7 4 62.96 5.77 5 7 4 64.99 6.31 5 7 5 27.76 4.74 5 7 5 16.08 3.06 5 7 6 51.49 5.96 5 7 6 46.97 4.97 5 7 7 77.96 6.28 5 7 7 93.93 8.08 5 7 8 45.20 5.86 5 7 8 45.61 4.80 5 7 9 64.95 5.55 5 7 9 69.86 7.43 5 7 10 193.64 9.96 5 7 10 219.89 13.12 5 7 11 115.46 7.29 5 7 11 136.85 10.37 5 7 12 0.56 2.57 5 7 12 4.41 1.45 5 7 13 109.13 6.89 5 7 13 139.58 10.89 5 7 14 1.74 2.27 5 7 14 -0.49 1.24 5 7 15 522.61 23.19 5 7 16 87.25 9.19 5 7 17 4.31 3.05 5 7 18 60.53 7.81 5 7 19 2.92 2.94 5 7 20 55.38 7.89 5 7 21 20.23 5.39 5 7 22 37.20 6.65 -5 -8 16 5.99 3.24 -5 -8 15 123.70 12.42 -5 -8 14 22.79 5.53 -5 -8 13 22.30 5.55 -5 -8 12 5.79 3.49 -5 -8 11 122.60 11.22 -5 -8 10 14.27 4.38 -5 -8 9 30.90 5.57 5 8 -9 27.65 2.22 -5 -8 8 105.78 9.92 5 8 -8 123.06 5.82 -5 -8 7 133.36 10.76 5 8 -7 138.68 6.85 -5 -8 6 14.21 3.96 5 8 -6 14.26 2.42 -5 -8 5 19.09 4.46 5 8 -5 23.19 3.09 -5 -8 4 2.15 2.76 5 8 -4 1.17 1.41 -5 -8 3 10.15 3.76 5 8 -3 4.83 2.32 -5 -8 2 11.56 3.99 5 8 -2 4.14 1.71 5 8 -1 106.11 7.53 5 8 0 74.35 6.46 5 8 1 203.21 10.91 5 8 2 6.09 3.01 5 8 3 341.20 15.49 5 8 3 351.77 15.53 5 8 4 146.40 9.52 5 8 4 144.40 9.88 5 8 5 163.16 9.97 5 8 5 159.20 10.52 5 8 6 9.90 3.46 5 8 6 5.96 2.31 5 8 7 287.69 13.59 -5 -8 -7 314.32 14.46 5 8 7 305.06 15.43 5 8 8 65.29 6.05 -5 -8 -8 70.77 6.33 5 8 8 85.07 7.92 5 8 9 48.66 5.21 -5 -8 -9 60.91 5.98 5 8 9 60.03 7.01 5 8 10 144.72 9.04 -5 -8 -10 166.49 9.75 5 8 10 160.10 11.53 5 8 11 0.83 2.78 5 8 11 0.60 1.46 -5 -8 -11 -0.68 1.62 5 8 12 394.98 15.81 -5 -8 -12 424.11 16.81 5 8 13 27.01 4.95 5 8 13 15.53 3.00 -5 -8 -13 29.65 4.16 5 8 14 79.21 6.30 5 8 14 92.07 9.27 -5 -8 -14 83.82 6.52 5 8 15 95.91 9.63 -5 -8 -15 82.86 6.43 5 8 16 7.09 3.73 5 8 17 192.20 14.16 5 8 18 51.82 7.66 5 8 19 3.40 3.20 5 8 20 62.60 8.60 5 8 21 23.17 5.36 -5 -9 16 31.15 6.87 -5 -9 15 27.21 6.34 -5 -9 14 80.16 9.83 -5 -9 13 7.45 3.55 -5 -9 12 36.72 6.44 -5 -9 11 28.43 5.79 -5 -9 10 55.38 7.75 -5 -9 9 66.75 8.28 -5 -9 8 14.57 3.92 5 9 -8 16.22 2.27 -5 -9 7 129.62 10.77 5 9 -7 139.33 7.18 -5 -9 6 76.17 8.00 5 9 -6 86.47 5.99 -5 -9 5 329.64 17.03 5 9 -5 318.08 12.78 -5 -9 4 3.54 2.74 5 9 -4 7.92 2.31 -5 -9 3 89.21 8.50 5 9 -3 89.38 6.72 -5 -9 2 145.41 10.67 5 9 -2 143.22 8.82 5 9 -1 11.11 2.86 5 9 0 56.00 5.86 5 9 1 19.52 3.85 5 9 2 99.64 7.98 5 9 3 436.93 18.31 5 9 4 732.27 25.80 -5 -9 -5 90.52 8.10 5 9 5 91.35 8.32 -5 -9 -6 6.16 2.99 5 9 6 7.54 3.41 -5 -9 -7 627.18 23.04 5 9 7 613.63 24.04 5 9 8 32.54 5.63 -5 -9 -8 28.37 4.65 5 9 9 116.88 8.62 -5 -9 -9 132.25 9.39 5 9 9 138.70 10.67 5 9 10 71.24 6.69 -5 -9 -10 82.98 7.37 5 9 10 89.91 8.80 5 9 11 4.10 3.54 5 9 11 0.98 1.36 -5 -9 -11 3.15 2.16 5 9 12 14.77 4.66 5 9 12 11.57 2.87 -5 -9 -12 15.42 3.27 5 9 13 22.21 5.45 5 9 13 22.18 3.74 -5 -9 -13 26.71 4.00 -5 -9 -14 321.63 14.69 5 9 14 333.87 18.55 5 9 15 52.49 7.30 -5 -9 -15 47.17 5.29 5 9 16 29.40 5.67 -5 -9 -16 33.62 4.45 5 9 17 21.54 5.51 5 9 18 -1.39 3.14 5 9 19 57.05 8.33 5 9 20 62.78 8.68 -5 -10 15 14.20 4.62 -5 -10 14 -6.98 3.33 -5 -10 13 4.26 3.67 -5 -10 12 11.53 3.83 -5 -10 11 21.69 5.17 -5 -10 10 151.79 12.71 -5 -10 9 5.44 3.55 -5 -10 8 49.48 7.11 -5 -10 7 72.45 8.24 5 10 -7 65.54 5.13 -5 -10 6 65.03 7.75 5 10 -6 65.81 5.34 -5 -10 5 9.09 3.00 5 10 -5 7.99 2.22 -5 -10 4 70.91 7.68 5 10 -4 65.51 5.81 -5 -10 3 88.18 8.35 5 10 -3 84.39 6.76 -5 -10 2 0.13 2.05 5 10 -2 2.36 1.86 -5 -10 1 18.00 4.41 5 10 -1 13.56 3.20 5 10 0 73.80 6.82 5 10 1 62.11 6.55 5 10 2 260.28 13.93 5 10 3 14.77 3.81 -5 -10 -3 29.24 5.08 -5 -10 -4 993.01 33.25 5 10 4 1025.85 32.92 5 10 5 2.98 2.95 -5 -10 -5 3.52 2.74 -5 -10 -6 148.17 10.78 5 10 6 144.65 10.91 5 10 7 4.30 2.97 -5 -10 -7 6.26 2.91 -5 -10 -8 0.62 2.10 5 10 8 3.38 3.11 -5 -10 -9 108.38 8.97 5 10 9 123.28 10.60 5 10 10 17.21 4.72 -5 -10 -10 12.27 3.46 -5 -10 -11 73.17 7.28 5 10 11 85.64 9.14 5 10 12 20.82 5.06 -5 -10 -12 13.58 3.56 5 10 13 37.14 6.49 -5 -10 -13 35.65 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5 17 68.42 8.30 6 5 18 23.73 5.09 6 5 19 53.14 7.56 6 5 20 3.94 3.07 6 5 21 13.16 4.57 6 5 22 22.39 5.42 -6 -6 16 20.12 5.77 -6 -6 15 16.54 5.35 -6 -6 14 198.01 15.60 -6 -6 13 3.17 2.83 -6 -6 12 94.02 10.27 -6 -6 11 33.17 6.27 -6 -6 10 93.64 9.89 6 6 -9 11.25 1.72 -6 -6 9 17.51 4.92 6 6 -8 13.16 2.12 -6 -6 8 11.45 3.76 6 6 -7 80.48 5.36 -6 -6 7 89.23 9.10 6 6 -6 133.64 7.34 -6 -6 6 122.84 10.46 6 6 -5 16.23 2.96 -6 -6 5 10.28 3.63 6 6 -4 25.82 3.43 -6 -6 4 29.64 5.60 6 6 -3 6.85 2.44 -6 -6 3 6.33 3.78 6 6 -2 226.90 10.97 6 6 -1 33.93 4.33 6 6 0 744.34 24.07 6 6 1 341.78 14.86 6 6 1 351.08 15.88 6 6 2 150.53 9.52 6 6 2 153.32 9.73 6 6 3 143.21 9.42 6 6 3 123.42 8.58 6 6 4 14.70 3.50 6 6 4 12.97 2.96 6 6 5 50.93 6.07 6 6 5 46.95 5.23 6 6 6 132.93 9.63 6 6 6 121.46 8.05 6 6 7 231.73 13.05 6 6 7 211.68 10.66 6 6 8 89.60 8.23 6 6 8 61.76 5.39 6 6 9 139.12 8.04 6 6 9 161.27 11.19 6 6 10 3.26 2.40 6 6 10 6.62 1.96 6 6 11 80.21 8.06 6 6 11 73.09 5.47 6 6 12 121.11 10.10 6 6 12 110.82 6.54 6 6 13 78.85 8.37 6 6 13 77.22 5.11 6 6 14 52.17 7.15 6 6 15 3.37 2.83 6 6 16 16.29 4.59 6 6 17 27.54 5.67 6 6 18 3.93 3.24 6 6 19 4.97 2.92 6 6 20 0.06 2.41 6 6 21 9.38 3.89 -6 -7 16 4.02 3.78 -6 -7 15 80.47 10.22 -6 -7 14 3.24 3.20 -6 -7 13 19.83 5.51 -6 -7 12 5.22 3.45 -6 -7 11 3.13 3.77 -6 -7 10 80.17 9.28 -6 -7 9 8.57 3.97 6 7 -9 1.59 0.94 -6 -7 8 7.24 3.49 6 7 -8 8.27 1.72 -6 -7 7 34.27 5.92 6 7 -7 32.92 3.39 -6 -7 6 199.24 13.48 6 7 -6 213.88 9.59 -6 -7 5 61.17 7.47 6 7 -5 63.83 5.24 -6 -7 4 22.42 5.24 6 7 -4 6.86 2.13 -6 -7 3 28.14 5.50 6 7 -3 16.68 3.10 6 7 -2 28.82 3.93 6 7 -1 194.55 10.55 6 7 0 52.98 5.60 6 7 1 889.06 27.85 6 7 2 7.79 2.94 6 7 3 563.05 21.05 6 7 3 570.41 21.13 6 7 4 304.82 14.40 6 7 4 310.33 15.16 6 7 5 51.64 6.16 6 7 5 40.04 4.99 6 7 6 296.84 13.74 6 7 6 294.53 14.98 6 7 7 31.81 5.15 6 7 7 32.46 4.25 6 7 8 80.36 6.49 6 7 8 85.68 8.01 6 7 9 73.05 6.12 6 7 9 88.48 8.36 6 7 10 0.85 2.41 6 7 10 2.49 1.52 6 7 11 217.85 10.69 6 7 11 259.36 15.04 6 7 12 124.56 7.61 6 7 12 146.64 11.42 6 7 13 61.15 7.52 6 7 14 15.96 4.52 6 7 15 49.85 7.10 6 7 16 -0.68 2.47 6 7 17 4.30 2.84 6 7 18 14.00 4.53 6 7 19 63.55 8.69 6 7 20 45.31 7.43 -6 -8 15 73.58 9.95 -6 -8 14 5.74 2.98 -6 -8 13 2.81 2.64 -6 -8 12 2.92 2.75 -6 -8 11 11.17 3.97 -6 -8 10 2.92 3.06 -6 -8 9 87.45 9.51 -6 -8 8 34.18 6.05 6 8 -8 35.88 3.36 -6 -8 7 138.90 11.58 6 8 -7 141.74 7.41 -6 -8 6 52.88 7.34 6 8 -6 43.87 4.25 -6 -8 5 26.72 5.39 6 8 -5 33.57 3.92 -6 -8 4 315.46 17.20 6 8 -4 299.89 12.93 -6 -8 3 4.62 3.40 6 8 -3 8.27 2.34 -6 -8 2 478.61 21.48 6 8 -2 482.03 17.89 6 8 -1 12.74 3.04 6 8 0 223.16 11.77 6 8 1 411.63 17.08 6 8 2 415.29 17.63 6 8 3 410.49 17.67 6 8 4 37.13 5.30 6 8 5 12.87 3.67 6 8 6 250.77 14.03 6 8 7 35.68 5.46 6 8 7 40.61 4.96 6 8 8 105.24 7.94 6 8 8 123.27 9.92 6 8 9 1.86 2.66 6 8 9 2.28 1.72 6 8 10 67.96 6.29 6 8 10 78.83 8.31 6 8 11 25.77 5.23 6 8 11 21.35 3.36 6 8 12 112.39 7.70 6 8 12 124.02 10.75 6 8 13 4.35 3.01 6 8 14 10.52 4.07 6 8 15 96.43 10.02 6 8 16 64.18 8.53 6 8 17 139.57 12.46 6 8 18 2.55 3.04 6 8 19 87.87 10.07 -6 -9 14 7.06 3.28 -6 -9 13 5.59 4.13 -6 -9 12 7.91 3.98 -6 -9 11 3.84 2.71 -6 -9 10 9.55 3.94 -6 -9 9 14.50 4.53 -6 -9 8 78.81 9.17 -6 -9 7 174.03 13.24 6 9 -7 161.10 8.15 -6 -9 6 12.56 4.02 6 9 -6 6.96 2.13 -6 -9 5 236.84 15.23 6 9 -5 249.33 11.48 -6 -9 4 11.40 4.13 6 9 -4 7.05 2.31 -6 -9 3 137.58 11.24 6 9 -3 148.55 9.10 -6 -9 2 162.14 11.92 6 9 -2 153.78 9.67 6 9 -1 58.09 5.93 6 9 0 168.77 10.46 6 9 1 9.23 2.77 6 9 2 137.20 9.67 6 9 3 86.57 8.23 6 9 4 331.32 16.23 6 9 5 2.46 2.54 6 9 6 14.74 3.87 6 9 7 1.66 2.29 6 9 8 80.06 8.38 6 9 9 24.61 5.16 6 9 10 0.16 2.99 6 9 11 6.42 3.25 6 9 12 116.77 11.07 6 9 13 228.52 15.37 6 9 14 119.30 11.25 6 9 15 42.38 7.01 6 9 16 85.77 9.63 6 9 17 68.09 8.90 6 9 18 10.26 4.46 -6 -10 13 3.81 2.68 -6 -10 12 2.68 2.87 -6 -10 11 180.76 14.89 -6 -10 10 73.66 9.34 -6 -10 9 17.67 4.91 -6 -10 8 32.35 6.28 -6 -10 7 0.54 2.92 -6 -10 6 19.58 4.95 6 10 -6 18.72 3.12 -6 -10 5 77.52 8.72 6 10 -5 90.24 6.79 -6 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5.70 -7 -7 7 69.38 8.68 7 7 -6 304.30 12.75 -7 -7 6 278.50 17.38 7 7 -5 76.52 6.26 -7 -7 5 72.53 8.69 7 7 -4 81.73 6.64 -7 -7 4 83.45 9.17 7 7 -3 131.09 8.62 -7 -7 3 123.89 11.10 7 7 -2 71.47 6.50 7 7 -1 193.54 11.15 7 7 0 23.56 4.29 7 7 1 493.42 19.81 7 7 2 12.18 3.32 7 7 3 13.19 3.64 7 7 4 418.17 18.73 7 7 5 79.70 7.95 7 7 6 135.15 10.44 7 7 7 85.57 8.36 7 7 7 62.27 6.18 7 7 8 52.53 6.71 7 7 8 45.24 5.14 7 7 9 12.10 3.89 7 7 9 14.34 3.04 7 7 10 52.77 7.18 7 7 10 42.82 4.87 7 7 11 8.43 3.50 7 7 12 238.39 15.58 7 7 13 22.43 5.10 7 7 14 9.09 3.84 7 7 15 16.26 4.49 7 7 16 3.65 3.42 7 7 17 194.81 15.09 7 7 18 32.14 6.49 -7 -8 13 -4.12 3.29 -7 -8 12 20.20 5.34 -7 -8 11 7.16 3.80 -7 -8 10 2.37 3.53 -7 -8 9 26.16 5.78 -7 -8 8 15.84 4.70 -7 -8 7 108.03 11.05 7 8 -7 116.60 7.18 -7 -8 6 26.19 5.55 7 8 -6 27.42 3.72 -7 -8 5 14.89 4.43 7 8 -5 12.01 2.72 -7 -8 4 71.07 8.51 7 8 -4 69.34 6.23 -7 -8 3 3.13 3.84 7 8 -3 2.18 1.86 -7 -8 2 10.87 4.75 7 8 -2 8.46 2.43 7 8 -1 109.52 8.36 7 8 0 29.63 4.68 7 8 1 28.69 4.61 7 8 2 16.12 3.63 7 8 3 67.29 7.07 7 8 4 70.83 7.31 7 8 5 64.22 7.13 7 8 6 21.57 4.62 7 8 7 17.04 4.39 7 8 8 21.53 4.92 7 8 9 84.91 8.78 7 8 10 11.54 4.06 7 8 11 36.66 6.36 7 8 12 79.97 8.91 7 8 13 27.93 5.80 7 8 14 76.94 9.13 7 8 15 23.52 5.30 7 8 16 18.82 5.37 7 8 17 44.51 7.37 -7 -9 12 28.36 6.59 -7 -9 11 8.10 3.84 -7 -9 10 79.33 10.03 -7 -9 9 19.95 5.66 -7 -9 8 32.39 6.66 -7 -9 7 72.06 9.02 -7 -9 6 5.63 3.60 7 9 -6 2.32 1.59 -7 -9 5 12.88 4.38 7 9 -5 13.45 3.02 -7 -9 4 95.60 10.03 7 9 -4 92.21 7.28 -7 -9 3 14.18 5.07 7 9 -3 8.13 2.81 -7 -9 2 4.01 3.52 7 9 -2 7.09 2.58 7 9 -1 8.18 2.79 7 9 0 34.74 5.03 7 9 1 15.56 3.73 7 9 2 1.35 2.22 7 9 3 12.81 3.98 7 9 4 131.31 10.26 7 9 5 5.08 3.14 7 9 6 10.65 3.55 7 9 7 32.95 5.73 7 9 8 63.23 7.92 7 9 9 30.84 5.82 7 9 10 80.13 9.17 7 9 11 199.41 14.57 7 9 12 5.50 3.40 7 9 13 74.01 9.27 7 9 14 11.21 3.88 7 9 15 2.91 3.47 7 9 16 189.09 15.05 -7 -10 11 14.58 5.13 -7 -10 10 46.16 7.75 -7 -10 9 1.15 2.70 -7 -10 8 45.60 7.58 -7 -10 7 14.47 4.93 -7 -10 6 106.86 11.06 -7 -10 5 24.00 5.79 7 10 -5 15.58 3.05 -7 -10 4 83.13 9.56 7 10 -4 78.43 6.87 -7 -10 3 6.52 3.88 7 10 -3 3.47 2.21 -7 -10 2 23.19 5.64 7 10 -2 14.52 3.20 -7 -10 1 7.79 4.04 7 10 -1 -0.01 1.98 7 10 0 48.19 5.96 7 10 1 2.51 2.11 7 10 2 31.98 5.28 7 10 3 57.75 7.01 7 10 4 13.75 3.91 7 10 5 76.20 8.23 7 10 6 45.71 6.60 7 10 7 53.48 7.10 7 10 8 107.16 10.26 7 10 9 78.60 9.17 7 10 10 23.06 4.76 7 10 11 78.53 9.18 7 10 12 -1.18 2.85 7 10 13 91.13 10.36 7 10 14 33.41 6.55 7 10 15 18.17 5.34 -7 -11 10 -0.78 3.03 -7 -11 9 48.27 8.06 -7 -11 8 75.72 9.81 -7 -11 7 25.83 6.06 -7 -11 6 -1.68 3.10 -7 -11 5 5.67 3.60 -7 -11 4 47.81 7.40 7 11 -4 36.75 4.87 -7 -11 3 6.20 3.35 7 11 -3 3.80 2.20 -7 -11 2 11.11 4.29 7 11 -2 4.19 2.49 -7 -11 1 1.68 3.29 7 11 -1 -0.28 1.86 -7 -11 0 44.80 7.06 7 11 0 36.86 5.77 7 11 1 2.48 2.62 7 11 2 18.52 4.41 7 11 3 16.84 4.41 7 11 4 19.26 4.62 7 11 5 17.63 4.50 7 11 6 4.66 2.82 7 11 7 46.03 6.76 7 11 8 51.22 7.45 7 11 9 3.99 3.57 7 11 10 13.93 4.68 7 11 11 5.46 3.38 7 11 12 -0.75 3.03 7 11 13 46.13 7.50 -7 -12 9 0.92 2.81 -7 -12 8 3.05 3.32 -7 -12 7 45.14 7.89 -7 -12 6 21.90 5.61 -7 -12 5 44.23 7.47 -7 -12 4 35.69 6.54 -7 -12 3 118.96 11.63 7 12 -3 121.79 9.38 -7 -12 2 3.59 3.08 7 12 -2 0.20 1.94 -7 -12 1 0.53 2.67 7 12 -1 2.24 2.10 -7 -12 0 3.01 3.06 7 12 0 1.52 2.20 -7 -12 -1 24.15 5.69 7 12 1 21.90 4.65 7 12 2 63.09 7.55 7 12 3 -1.88 2.54 7 12 4 82.03 8.79 7 12 5 24.52 5.24 7 12 6 57.53 8.01 7 12 7 33.49 6.31 7 12 8 9.92 4.14 7 12 9 39.45 6.96 7 12 10 110.57 11.37 7 12 11 3.72 3.67 -7 -13 7 67.55 9.45 -7 -13 6 60.07 8.82 -7 -13 5 7.48 3.26 -7 -13 4 23.21 5.65 -7 -13 3 7.45 3.74 -7 -13 2 31.73 6.34 -7 -13 1 35.39 6.65 7 13 -1 45.50 6.20 -7 -13 0 2.30 3.24 7 13 0 -1.87 2.25 -7 -13 -1 45.51 7.22 7 13 1 30.91 5.50 -7 -13 -2 0.92 3.17 7 13 2 5.21 2.77 7 13 3 38.22 6.42 7 13 4 56.80 7.70 7 13 5 30.89 5.90 7 13 6 40.74 6.86 7 13 7 17.25 4.90 7 13 8 0.78 2.81 7 13 9 7.97 4.12 -7 -14 4 73.13 9.52 -7 -14 3 -0.88 3.05 -7 -14 2 22.03 5.48 -7 -14 1 -2.76 3.12 -7 -14 0 -0.60 2.72 7 14 0 -1.47 2.68 -7 -14 -1 11.41 4.30 7 14 1 5.05 2.67 -7 -14 -2 8.77 3.65 7 14 2 9.79 3.86 -7 -14 -3 69.49 8.95 7 14 3 67.91 8.42 7 14 4 0.63 2.78 7 14 5 15.51 4.40 7 14 6 21.37 5.39 7 15 2 4.17 3.09 7 15 3 33.38 6.18 8 -8 -2 93.94 10.42 8 -8 -1 12.58 4.24 8 -8 0 43.20 7.09 8 -8 1 36.55 6.49 8 -8 2 17.35 4.42 8 -8 3 13.87 4.08 8 -8 4 4.71 2.40 8 -7 -5 51.79 8.06 8 -7 -4 3.02 3.35 8 -7 -3 33.41 6.28 8 -7 -2 43.63 7.19 8 -7 -1 62.44 8.29 8 -7 0 4.50 3.10 8 -7 1 30.38 5.70 8 -7 2 4.06 3.03 8 -7 3 -3.45 2.80 8 -7 4 -0.77 2.45 8 -7 5 3.44 2.52 8 -6 -7 6.00 3.90 8 -6 -6 36.00 6.96 8 -6 -5 29.58 6.23 8 -6 -4 -2.12 3.12 8 -6 -3 29.50 5.96 8 -6 -2 37.04 6.56 8 -6 -1 17.11 4.95 8 -6 0 7.68 3.50 8 -6 1 13.98 3.92 8 -6 2 50.68 7.06 8 -6 3 10.95 3.60 8 -6 4 8.54 3.02 8 -6 5 -0.88 2.26 8 -6 6 126.27 9.91 -8 5 9 29.33 5.21 -8 5 8 20.36 4.49 -8 5 7 8.19 2.82 -8 5 6 25.05 4.64 8 -5 -5 23.56 5.71 -8 5 5 14.20 3.58 8 -5 -4 10.83 4.19 -8 5 4 9.56 3.42 8 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-1 9.42 4.13 8 -2 0 132.89 11.00 8 -2 1 163.22 12.20 8 -2 2 14.27 4.19 8 -2 3 114.72 10.26 8 -2 4 5.05 2.98 8 -2 5 90.65 9.34 8 -2 6 109.83 10.45 8 -2 6 113.08 8.29 8 -2 7 1.99 3.09 8 -2 7 2.48 2.12 8 -2 8 90.32 9.49 8 -2 8 95.45 7.08 8 -2 9 1.33 2.61 8 -2 10 3.90 3.28 8 -2 11 6.36 4.17 8 -2 12 62.76 8.23 8 -2 13 13.03 3.98 8 -2 14 27.94 5.80 -8 1 15 61.92 8.93 -8 1 14 20.52 5.24 -8 1 13 51.38 8.24 -8 1 12 0.82 2.63 -8 1 11 30.20 6.14 -8 1 10 6.96 4.02 -8 1 9 51.31 7.47 -8 1 8 89.27 9.40 -8 1 7 46.95 7.18 -8 1 6 0.36 2.60 8 -1 -5 138.67 10.51 -8 1 5 120.30 10.73 8 -1 -4 15.96 4.10 -8 1 4 14.79 4.52 8 -1 -3 76.38 7.92 -8 1 3 66.95 7.96 8 -1 -2 157.87 11.42 8 -1 -1 81.86 8.39 8 -1 0 25.25 4.93 8 -1 1 0.83 2.62 8 -1 2 31.50 5.47 8 -1 3 26.29 5.13 8 -1 4 135.96 11.12 8 -1 5 11.37 4.13 8 -1 6 45.20 6.69 8 -1 7 96.73 9.63 8 -1 8 3.31 3.11 8 -1 8 2.54 1.83 8 -1 9 94.16 9.70 8 -1 9 101.70 6.82 8 -1 10 12.00 4.08 8 -1 11 3.63 2.28 8 -1 12 6.16 3.22 8 -1 13 64.31 8.30 8 -1 14 27.45 5.65 8 -1 15 10.21 4.03 -8 0 15 16.36 5.30 -8 0 14 -2.34 3.00 -8 0 13 84.38 10.37 -8 0 12 4.64 3.97 -8 0 11 1.61 3.00 -8 0 10 11.41 4.59 -8 0 9 22.85 5.71 -8 0 8 133.91 11.96 -8 0 7 41.50 6.74 -8 0 6 59.71 7.71 8 0 -6 54.62 6.36 8 0 -5 13.85 3.63 -8 0 5 16.10 4.82 8 0 -4 1.41 1.97 -8 0 4 1.70 2.85 8 0 -3 6.81 2.53 -8 0 3 11.50 4.27 8 0 -2 11.29 3.61 8 0 -1 0.76 2.44 8 0 0 23.60 4.51 8 0 1 95.22 8.88 8 0 2 96.24 8.96 8 0 3 41.86 6.14 8 0 4 85.93 8.57 8 0 5 -2.22 2.71 8 0 6 135.75 11.05 8 0 7 8.85 3.72 8 0 8 119.71 10.81 8 0 9 30.62 5.75 8 0 10 62.47 7.99 8 0 11 9.08 3.14 8 0 12 30.15 5.98 8 0 13 80.97 9.24 8 0 14 6.98 3.46 8 0 15 235.04 16.32 8 0 16 131.06 12.30 -8 -1 15 37.12 7.38 -8 -1 14 3.40 3.16 -8 -1 13 12.94 4.57 -8 -1 12 21.28 5.64 -8 -1 11 -2.55 3.38 -8 -1 10 82.46 9.91 -8 -1 9 28.75 6.11 -8 -1 8 321.88 18.94 8 1 -7 13.63 3.42 -8 -1 7 5.10 4.20 -8 -1 6 102.05 10.28 8 1 -6 100.86 8.27 8 1 -5 12.00 3.30 -8 -1 5 12.86 4.50 8 1 -4 7.73 2.81 -8 -1 4 13.47 4.83 8 1 -3 5.57 2.87 8 1 -2 34.51 5.26 8 1 -1 25.07 4.64 8 1 0 11.94 3.60 8 1 1 33.57 5.26 8 1 2 -1.10 2.35 8 1 3 104.22 9.39 8 1 4 36.74 5.63 8 1 5 120.47 10.13 8 1 6 4.80 2.83 8 1 7 178.64 12.76 8 1 8 74.80 8.29 8 1 9 18.45 4.64 8 1 10 170.42 12.99 8 1 11 54.99 7.35 8 1 12 7.30 3.73 8 1 13 0.11 2.64 8 1 14 162.81 13.23 8 1 15 217.38 15.65 8 1 16 0.89 3.07 -8 -2 14 4.55 3.87 -8 -2 13 25.36 5.94 -8 -2 12 16.96 5.03 -8 -2 11 96.43 10.84 -8 -2 10 13.10 4.55 -8 -2 9 28.50 6.33 -8 -2 8 165.91 13.46 8 2 -8 141.12 9.50 -8 -2 7 90.69 9.89 8 2 -7 77.14 6.98 8 2 -6 20.66 3.86 -8 -2 6 32.08 6.17 -8 -2 5 99.17 10.18 8 2 -5 105.97 8.34 -8 -2 4 4.90 3.69 8 2 -4 -1.53 2.25 8 2 -3 81.53 7.63 8 2 -2 22.62 4.15 8 2 -1 51.76 6.35 8 2 0 309.44 15.87 8 2 1 13.32 3.73 8 2 2 64.94 7.19 8 2 3 332.39 17.06 8 2 4 93.94 8.84 8 2 5 71.73 7.76 8 2 6 81.75 8.47 8 2 7 131.52 10.88 8 2 8 17.92 4.52 8 2 8 27.30 3.74 8 2 9 189.89 13.34 8 2 10 22.24 4.95 8 2 11 68.82 8.33 8 2 12 231.94 15.47 8 2 13 2.08 2.90 8 2 14 3.85 2.90 8 2 15 43.36 6.95 8 2 16 102.42 10.90 8 2 17 71.72 9.27 -8 -3 14 -1.47 3.67 -8 -3 13 20.21 6.13 -8 -3 12 10.02 3.88 -8 -3 11 9.14 4.21 -8 -3 10 41.58 7.65 8 3 -9 29.93 4.03 -8 -3 9 36.36 6.66 8 3 -8 27.94 4.03 -8 -3 8 31.79 6.47 8 3 -7 5.21 2.40 -8 -3 7 5.61 3.31 -8 -3 6 92.45 9.96 8 3 -6 88.85 7.44 -8 -3 5 152.30 12.79 8 3 -5 148.93 9.92 -8 -3 4 174.99 13.36 8 3 -4 162.56 10.57 8 3 -3 243.10 13.18 8 3 -2 6.17 2.54 8 3 -1 21.66 4.33 8 3 0 208.41 12.62 8 3 1 143.41 10.45 8 3 2 153.53 11.10 8 3 3 10.65 3.58 8 3 4 294.65 15.97 8 3 5 21.27 4.78 8 3 5 21.03 3.75 8 3 6 382.98 18.73 8 3 6 358.65 15.78 8 3 7 21.29 4.82 8 3 7 17.31 3.16 8 3 8 2.25 2.93 8 3 8 1.79 1.38 8 3 9 275.81 16.29 8 3 10 18.63 4.36 8 3 11 39.31 6.63 8 3 12 29.12 5.81 8 3 13 76.18 8.73 8 3 14 4.37 3.15 8 3 15 -2.13 2.88 8 3 16 13.27 4.64 8 3 17 27.86 6.06 -8 -4 13 60.53 9.16 -8 -4 12 21.29 5.83 -8 -4 11 167.81 14.57 -8 -4 10 40.14 7.30 -8 -4 9 59.81 8.78 8 4 -9 65.06 5.74 8 4 -8 36.38 4.39 -8 -4 8 40.65 7.34 -8 -4 7 49.55 7.97 8 4 -7 51.98 5.50 -8 -4 6 3.92 2.85 8 4 -6 7.74 2.37 -8 -4 5 11.59 4.72 8 4 -5 6.33 2.42 -8 -4 4 468.60 23.20 8 4 -4 470.75 18.97 8 4 -3 19.40 3.85 8 4 -2 193.47 11.78 8 4 -1 27.06 4.64 8 4 0 0.63 2.12 8 4 1 112.97 9.20 8 4 2 92.92 8.43 8 4 3 36.01 5.40 8 4 4 107.51 9.28 8 4 5 12.98 3.38 8 4 5 11.69 2.68 8 4 6 32.52 5.54 8 4 6 27.30 4.01 8 4 7 6.51 3.12 8 4 7 11.00 2.58 8 4 8 23.50 5.10 8 4 8 16.18 2.97 8 4 9 4.67 3.35 8 4 10 13.89 4.03 8 4 11 10.26 4.20 8 4 12 32.56 5.93 8 4 13 9.65 3.60 8 4 14 31.53 5.82 8 4 15 6.62 3.27 8 4 16 7.91 3.89 8 4 17 41.02 7.14 -8 -5 12 77.42 10.32 -8 -5 11 24.52 6.29 -8 -5 10 24.98 6.01 -8 -5 9 -1.00 2.93 -8 -5 8 38.61 7.14 8 5 -8 41.43 4.63 -8 -5 7 228.55 16.33 8 5 -7 235.37 11.81 -8 -5 6 -3.28 3.26 8 5 -6 0.73 1.77 -8 -5 5 82.15 9.63 8 5 -5 58.56 6.00 -8 -5 4 53.46 8.11 8 5 -4 39.68 5.20 -8 -5 3 162.41 13.29 8 5 -3 151.82 10.16 8 5 -2 145.39 9.93 8 5 -1 58.16 6.47 8 5 0 -0.14 2.21 8 5 1 7.06 3.08 8 5 2 6.80 2.99 8 5 3 34.15 5.38 8 5 4 113.37 9.44 8 5 5 122.61 10.23 8 5 6 12.31 4.19 8 5 6 11.50 2.79 8 5 7 61.86 7.53 8 5 7 45.80 5.20 8 5 8 0.43 3.01 8 5 8 0.18 1.32 8 5 9 123.51 10.71 8 5 10 2.81 2.82 8 5 11 5.83 3.19 8 5 12 32.25 6.13 8 5 13 24.29 5.29 8 5 14 119.14 11.45 8 5 15 7.26 3.79 8 5 16 80.52 9.87 -8 -6 12 36.20 7.35 -8 -6 11 23.50 6.28 -8 -6 10 220.13 16.83 -8 -6 9 4.42 3.59 -8 -6 8 7.70 3.78 -8 -6 7 -0.83 3.00 8 6 -7 0.51 1.50 -8 -6 6 35.12 6.88 8 6 -6 31.39 4.31 -8 -6 5 42.52 7.33 8 6 -5 38.88 4.80 -8 -6 4 46.99 7.20 8 6 -4 47.29 5.39 -8 -6 3 43.58 7.16 8 6 -3 42.26 5.20 8 6 -2 6.96 2.91 8 6 -1 41.82 5.43 8 6 0 32.26 4.96 8 6 1 21.09 4.16 8 6 2 36.41 5.51 8 6 3 25.83 4.78 8 6 4 6.00 3.03 8 6 5 18.85 4.25 8 6 6 77.51 8.27 8 6 7 22.90 4.98 8 6 8 53.09 6.98 8 6 9 26.31 5.72 8 6 10 91.69 9.57 8 6 11 126.18 11.11 8 6 12 24.10 5.44 8 6 13 27.69 5.69 8 6 14 49.52 7.47 8 6 15 42.64 6.82 8 6 16 17.77 5.01 -8 -7 11 91.72 11.20 -8 -7 10 7.26 4.27 -8 -7 9 34.75 6.93 -8 -7 8 68.53 9.19 -8 -7 7 4.73 4.10 8 7 -7 3.79 1.90 -8 -7 6 21.62 5.56 8 7 -6 24.47 3.68 -8 -7 5 0.63 3.04 8 7 -5 -3.10 2.09 -8 -7 4 1.96 3.11 8 7 -4 0.76 1.59 -8 -7 3 50.33 8.06 8 7 -3 52.59 5.92 8 7 -2 34.78 4.94 8 7 -1 7.15 2.70 8 7 0 -3.04 2.36 8 7 1 35.75 5.25 8 7 2 2.31 2.54 8 7 3 107.42 9.55 8 7 4 9.28 3.46 8 7 5 14.56 4.21 8 7 6 -0.53 2.85 8 7 7 36.94 6.08 8 7 8 50.77 7.10 8 7 9 1.96 2.49 8 7 10 70.81 8.53 8 7 11 43.59 6.92 8 7 12 20.77 4.88 8 7 13 29.09 6.09 8 7 14 4.44 3.39 8 7 15 91.06 10.36 -8 -8 10 12.48 5.00 -8 -8 9 38.07 7.20 -8 -8 8 4.24 3.33 -8 -8 7 53.08 8.34 -8 -8 6 -0.08 3.84 8 8 -6 3.27 1.48 -8 -8 5 17.05 5.40 8 8 -5 15.53 3.28 -8 -8 4 2.17 3.69 8 8 -4 2.63 1.93 -8 -8 3 9.74 4.72 8 8 -3 3.12 2.15 -8 -8 2 79.76 9.59 8 8 -2 74.14 7.11 8 8 -1 0.81 1.87 8 8 0 92.86 8.43 8 8 1 40.90 5.79 8 8 2 95.31 8.72 8 8 3 31.23 5.17 8 8 4 4.20 3.29 8 8 5 3.50 3.11 8 8 6 77.45 8.31 8 8 7 111.75 10.28 8 8 8 2.19 2.53 8 8 9 148.78 12.31 8 8 10 52.87 7.49 8 8 11 32.13 6.26 8 8 12 53.29 7.74 8 8 13 86.92 10.14 8 8 14 1.34 2.84 -8 -9 9 10.40 4.63 -8 -9 8 9.98 4.48 -8 -9 7 4.39 3.91 -8 -9 6 12.12 4.09 -8 -9 5 67.87 9.12 8 9 -5 65.53 6.33 -8 -9 4 21.17 4.96 8 9 -4 27.27 4.33 -8 -9 3 11.50 4.79 8 9 -3 11.33 3.06 -8 -9 2 58.58 8.42 8 9 -2 47.41 5.87 8 9 -1 17.87 3.83 8 9 0 4.15 2.48 8 9 1 27.60 5.12 8 9 2 53.61 6.65 8 9 3 9.27 3.47 8 9 4 281.35 16.41 8 9 5 25.25 5.08 8 9 6 17.10 4.61 8 9 7 3.60 3.18 8 9 8 -0.73 2.68 8 9 9 39.61 6.64 8 9 10 72.67 8.84 8 9 11 126.26 11.64 8 9 12 1.62 3.07 8 9 13 2.96 3.43 -8 -10 8 10.47 4.44 -8 -10 7 72.09 9.84 -8 -10 6 5.62 4.00 -8 -10 5 15.74 4.73 -8 -10 4 15.41 4.60 8 10 -4 15.58 3.76 -8 -10 3 36.51 6.82 8 10 -3 31.31 4.77 -8 -10 2 25.57 6.02 8 10 -2 29.85 4.85 -8 -10 1 54.87 8.25 8 10 -1 36.10 5.49 8 10 0 7.63 2.90 8 10 1 133.20 10.69 8 10 2 22.05 4.87 8 10 3 26.08 5.07 8 10 4 19.07 4.60 8 10 5 13.49 4.53 8 10 6 20.52 5.19 8 10 7 25.88 5.24 8 10 8 65.99 8.32 8 10 9 13.92 4.16 8 10 10 3.46 3.26 8 10 11 24.70 5.44 8 10 12 6.58 3.81 -8 -11 6 2.33 3.49 -8 -11 5 71.57 9.60 -8 -11 4 4.45 3.41 -8 -11 3 7.75 4.56 -8 -11 2 68.96 9.36 8 11 -2 62.39 7.04 -8 -11 1 11.73 4.64 8 11 -1 8.30 3.22 -8 -11 0 27.99 6.40 8 11 0 26.32 4.99 8 11 1 2.92 2.53 8 11 2 3.25 2.60 8 11 3 102.04 9.84 8 11 4 2.73 2.54 8 11 5 41.71 6.79 8 11 6 29.34 5.75 8 11 7 13.55 4.48 8 11 8 1.13 3.19 8 11 9 13.60 4.63 8 11 10 1.03 2.86 -8 -12 5 65.69 9.40 -8 -12 4 9.15 4.90 -8 -12 3 9.30 4.15 -8 -12 2 29.38 6.69 -8 -12 1 -0.49 3.03 8 12 -1 1.87 2.24 -8 -12 0 164.08 14.30 8 12 0 164.24 12.17 -8 -12 -1 16.29 5.57 8 12 1 11.98 3.92 8 12 2 8.19 3.52 8 12 3 8.90 3.54 8 12 4 14.22 4.20 8 12 5 13.82 4.37 8 12 6 3.19 2.99 8 12 7 119.12 11.44 8 12 8 20.25 5.34 8 12 9 13.63 5.04 -8 -13 3 18.05 5.23 -8 -13 2 1.18 3.09 -8 -13 1 -1.97 3.41 8 13 0 25.20 4.96 -8 -13 0 21.45 5.40 8 13 1 24.05 5.09 -8 -13 -1 41.01 7.62 8 13 2 -3.21 2.76 -8 -13 -2 5.07 3.65 8 13 3 -4.93 2.81 8 13 4 47.43 7.14 8 13 5 -0.35 2.38 8 13 6 10.60 3.75 -8 -14 0 3.89 3.18 -8 -14 -1 7.13 3.68 8 14 2 2.22 2.51 -8 -14 -2 11.00 4.66 8 14 3 27.53 5.79 -8 -14 -3 25.08 5.89 8 14 4 10.57 3.90 9 -7 1 7.19 3.57 9 -6 -2 7.80 3.87 9 -6 -1 20.88 5.10 9 -6 0 14.53 4.82 9 -6 1 54.99 7.76 9 -6 2 29.38 5.41 9 -6 3 79.18 8.89 9 -5 -4 54.25 8.15 9 -5 -3 18.79 5.14 9 -5 -2 82.82 9.87 9 -5 -1 23.82 5.51 9 -5 0 163.62 13.03 9 -5 1 61.39 7.88 9 -5 2 0.27 2.34 9 -5 3 99.18 9.40 9 -5 4 8.67 3.30 -9 4 8 86.59 9.49 -9 4 7 61.62 7.99 -9 4 6 12.73 4.28 -9 4 5 58.91 7.65 -9 4 4 7.83 3.36 -9 4 3 86.09 9.14 -9 4 2 54.99 7.24 9 -4 -1 34.02 6.13 -9 4 1 24.60 5.35 9 -4 0 118.07 10.81 -9 4 0 126.14 10.92 9 -4 1 9.38 3.77 9 -4 1 4.30 3.69 9 -4 2 53.97 7.12 9 -4 2 53.20 7.92 9 -4 3 14.42 4.12 9 -4 3 8.97 3.86 9 -4 4 34.28 5.44 9 -4 5 13.34 3.21 -9 3 12 33.90 6.57 -9 3 11 87.59 10.28 -9 3 10 32.01 6.35 -9 3 9 19.53 5.32 -9 3 8 36.11 6.62 -9 3 7 2.33 2.86 -9 3 6 83.11 9.36 -9 3 5 38.83 6.29 -9 3 4 8.47 3.75 -9 3 3 156.10 12.66 -9 3 2 3.09 3.36 -9 3 1 27.18 5.54 9 -3 -1 29.92 5.85 9 -3 0 3.19 2.54 9 -3 1 5.04 3.35 9 -3 2 3.49 2.83 9 -3 2 1.67 2.44 9 -3 3 23.98 4.78 9 -3 3 29.55 5.71 9 -3 4 24.87 4.48 9 -3 4 19.51 5.04 9 -3 5 3.11 2.25 9 -3 5 5.66 3.16 9 -3 6 11.30 3.94 9 -3 7 42.91 7.23 -9 2 13 28.06 6.39 -9 2 12 25.57 5.85 -9 2 11 129.84 12.77 -9 2 10 -0.55 2.80 -9 2 9 52.99 7.85 -9 2 8 5.16 3.09 -9 2 7 44.74 7.23 -9 2 6 10.11 4.31 -9 2 5 18.59 4.84 -9 2 4 37.11 6.64 9 -2 -3 83.45 9.02 -9 2 3 67.27 8.42 9 -2 -2 13.35 3.99 -9 2 2 19.10 4.98 9 -2 -1 5.01 3.33 9 -2 0 66.48 8.33 9 -2 1 1.69 2.68 9 -2 2 47.44 7.29 9 -2 3 6.12 3.19 9 -2 4 29.48 5.73 9 -2 5 101.07 10.58 9 -2 5 98.31 8.58 9 -2 6 6.85 3.55 9 -2 6 11.10 3.19 9 -2 7 9.55 3.85 9 -2 8 -1.68 3.03 9 -2 9 51.35 8.01 -9 1 13 9.13 4.80 -9 1 12 48.26 8.26 -9 1 11 148.78 13.72 -9 1 10 35.26 6.67 -9 1 9 12.42 4.34 -9 1 8 28.51 6.09 -9 1 7 3.69 3.47 -9 1 6 6.31 3.65 9 -1 -5 47.77 6.69 -9 1 5 40.27 6.61 9 -1 -4 20.11 4.60 -9 1 4 27.02 5.66 9 -1 -3 5.23 2.80 -9 1 3 4.79 3.59 9 -1 -2 -3.30 2.75 -9 1 2 5.94 3.92 9 -1 -1 19.40 4.66 9 -1 0 13.25 4.33 9 -1 1 74.50 8.59 9 -1 2 44.59 6.90 9 -1 3 35.48 6.21 9 -1 4 36.26 6.27 9 -1 5 33.27 6.06 9 -1 6 142.85 12.45 9 -1 7 203.77 14.81 9 -1 7 185.95 11.06 9 -1 8 4.80 3.52 9 -1 9 187.73 14.69 9 -1 10 6.23 3.37 -9 0 12 41.86 7.51 -9 0 11 6.20 3.69 -9 0 10 38.55 7.31 -9 0 9 8.73 4.09 -9 0 8 149.84 13.42 -9 0 7 3.41 2.98 9 0 -6 10.58 3.30 -9 0 6 6.22 3.76 9 0 -5 4.95 2.78 -9 0 5 -4.53 3.34 9 0 -4 3.93 2.51 -9 0 4 5.71 3.14 9 0 -3 42.92 6.30 -9 0 3 61.21 8.31 9 0 -2 1.20 2.43 9 0 -1 5.78 3.24 9 0 0 88.91 9.39 9 0 1 252.04 15.87 9 0 2 14.48 5.11 9 0 3 161.45 12.58 9 0 4 123.41 11.18 9 0 5 10.84 3.82 9 0 6 87.03 9.60 9 0 7 43.72 7.01 9 0 8 204.87 14.92 9 0 9 55.17 8.05 9 0 10 18.45 5.07 9 0 11 54.09 7.73 -9 -1 12 -0.20 2.83 -9 -1 11 28.45 6.80 -9 -1 10 10.74 4.56 -9 -1 9 -1.28 2.98 -9 -1 8 0.29 2.91 9 1 -7 46.07 6.09 -9 -1 7 42.52 7.28 9 1 -6 4.56 2.38 -9 -1 6 9.36 3.89 9 1 -5 2.68 2.87 -9 -1 5 2.60 3.37 9 1 -4 -2.17 2.48 -9 -1 4 -2.64 2.99 9 1 -3 11.60 3.54 -9 -1 3 7.88 4.03 9 1 -2 191.33 13.01 9 1 -1 39.93 6.05 9 1 0 64.17 7.68 9 1 1 197.24 13.63 9 1 2 5.25 3.69 9 1 3 107.59 10.07 9 1 4 3.06 2.85 9 1 5 155.40 12.55 9 1 6 103.54 10.28 9 1 7 44.69 7.03 9 1 8 83.37 9.48 9 1 9 25.48 5.74 9 1 10 81.61 9.59 9 1 11 12.35 4.32 9 1 12 6.74 4.36 -9 -2 11 1.01 3.84 -9 -2 10 14.51 5.37 -9 -2 9 0.77 2.99 9 2 -8 -1.09 1.98 -9 -2 8 5.04 4.21 9 2 -7 38.66 5.44 -9 -2 7 55.48 8.38 9 2 -6 8.45 3.14 -9 -2 6 11.11 4.87 9 2 -5 120.19 9.80 -9 -2 5 119.53 11.92 9 2 -4 -0.30 2.43 -9 -2 4 11.79 4.78 9 2 -3 43.10 6.09 -9 -2 3 44.51 7.38 9 2 -2 82.41 8.48 9 2 -1 1.79 3.08 9 2 0 272.94 15.83 9 2 1 48.70 6.93 9 2 2 192.42 13.28 9 2 3 256.07 15.88 9 2 4 57.92 7.74 9 2 5 5.38 3.38 9 2 6 40.99 6.57 9 2 7 44.77 6.96 9 2 8 5.95 3.60 9 2 9 27.05 5.61 9 2 10 9.98 3.88 9 2 11 19.21 5.15 9 2 12 1.28 2.66 9 2 13 4.24 3.11 -9 -3 11 17.73 5.61 -9 -3 10 34.34 7.52 -9 -3 9 19.73 5.83 9 3 -8 24.10 4.25 -9 -3 8 19.56 5.24 9 3 -7 6.82 2.52 -9 -3 7 4.77 3.76 9 3 -6 112.75 9.15 -9 -3 6 128.36 12.56 9 3 -5 6.19 2.57 -9 -3 5 11.15 4.57 9 3 -4 15.84 3.93 -9 -3 4 9.49 4.40 9 3 -3 339.76 17.23 -9 -3 3 346.61 20.51 9 3 -2 5.44 2.94 9 3 -1 56.15 7.12 9 3 0 45.16 6.34 9 3 1 35.50 5.82 9 3 2 3.16 2.45 9 3 3 6.41 3.40 9 3 4 4.46 2.65 9 3 5 2.43 2.77 9 3 6 24.14 5.15 9 3 7 2.96 2.75 9 3 8 45.89 7.09 9 3 9 0.14 2.42 9 3 10 6.76 3.45 9 3 11 17.81 4.98 9 3 12 31.16 6.39 9 3 13 11.34 4.07 -9 -4 10 4.75 4.33 -9 -4 9 43.70 8.04 -9 -4 8 16.90 5.57 9 4 -7 0.76 1.89 -9 -4 7 3.14 4.29 9 4 -6 156.55 10.66 -9 -4 6 163.19 14.28 9 4 -5 2.80 2.34 -9 -4 5 4.82 3.80 9 4 -4 99.29 8.67 -9 -4 4 96.89 11.04 9 4 -3 52.35 6.58 -9 -4 3 56.50 8.23 9 4 -2 85.33 8.28 9 4 -1 2.07 2.36 9 4 0 0.23 2.21 9 4 1 7.67 3.34 9 4 2 1.72 2.47 9 4 3 64.90 7.78 9 4 4 0.29 2.53 9 4 5 41.77 6.46 9 4 6 29.77 5.58 9 4 7 14.16 4.42 9 4 8 -2.11 3.07 9 4 9 2.05 2.45 9 4 10 21.64 5.17 9 4 11 2.35 2.84 9 4 12 31.60 6.36 9 4 13 6.66 3.96 -9 -5 9 44.57 8.05 -9 -5 8 3.67 3.67 9 5 -7 42.74 5.26 -9 -5 7 44.88 7.65 9 5 -6 22.22 4.08 -9 -5 6 25.03 6.22 9 5 -5 32.25 4.83 -9 -5 5 31.01 6.78 9 5 -4 39.05 5.51 -9 -5 4 44.72 7.79 9 5 -3 6.06 2.65 -9 -5 3 11.03 4.87 9 5 -2 25.95 4.81 9 5 -1 3.36 2.66 9 5 0 21.48 4.60 9 5 1 77.33 8.03 9 5 2 -2.98 3.00 9 5 3 6.26 2.69 9 5 4 3.65 3.11 9 5 5 -1.40 2.89 9 5 6 5.62 3.13 9 5 7 86.72 9.34 9 5 8 0.01 2.88 9 5 9 38.32 6.64 9 5 10 5.90 3.82 9 5 11 36.83 6.52 9 5 12 41.05 7.20 9 5 13 6.98 3.71 -9 -6 8 1.74 4.23 -9 -6 7 41.11 7.92 9 6 -6 -0.77 1.78 -9 -6 6 4.15 3.90 9 6 -5 -1.84 2.14 -9 -6 5 10.27 4.36 9 6 -4 12.63 3.33 -9 -6 4 15.51 5.02 9 6 -3 4.70 2.46 -9 -6 3 11.97 4.85 9 6 -2 69.47 7.42 9 6 -1 10.03 2.88 9 6 0 13.58 3.80 9 6 1 10.46 3.71 9 6 2 8.39 3.38 9 6 3 11.51 3.95 9 6 4 38.34 6.29 9 6 5 1.13 2.71 9 6 6 34.83 6.31 9 6 7 7.32 3.72 9 6 8 84.82 9.38 9 6 9 24.26 5.30 9 6 10 5.13 2.83 9 6 11 205.83 15.51 9 6 12 20.05 5.37 -9 -7 7 13.56 5.26 -9 -7 6 8.98 4.68 9 7 -5 13.51 3.26 -9 -7 5 11.13 4.53 9 7 -4 1.04 1.98 -9 -7 4 -2.19 2.76 9 7 -3 19.07 4.06 -9 -7 3 26.48 6.20 9 7 -2 36.21 5.52 -9 -7 2 54.70 8.66 9 7 -1 -0.36 2.04 9 7 0 66.77 7.67 9 7 1 67.63 7.71 9 7 2 87.89 8.93 9 7 3 50.04 7.06 9 7 4 -0.31 2.46 9 7 5 12.23 3.84 9 7 6 121.55 11.12 9 7 7 6.93 3.90 9 7 8 224.02 15.60 9 7 9 12.89 4.42 9 7 10 55.06 7.94 9 7 11 46.50 7.40 9 7 12 -1.00 3.30 -9 -8 6 -1.16 3.61 -9 -8 5 70.64 9.69 9 8 -4 2.67 2.17 -9 -8 4 -2.73 3.31 9 8 -3 54.33 6.33 -9 -8 3 48.10 8.11 9 8 -2 28.84 4.89 -9 -8 2 41.35 7.71 9 8 -1 17.51 4.21 9 8 0 39.08 5.92 9 8 1 -0.37 2.37 9 8 2 57.94 7.25 9 8 3 408.11 20.41 9 8 4 11.84 4.18 9 8 5 57.98 7.70 9 8 6 0.79 2.50 9 8 7 58.61 8.01 9 8 8 10.49 4.15 9 8 9 8.49 3.87 9 8 10 19.74 5.35 9 8 11 3.82 3.42 -9 -9 4 9.79 4.66 9 9 -3 17.43 3.89 -9 -9 3 24.12 6.04 9 9 -2 9.98 3.40 -9 -9 2 5.95 4.47 9 9 -1 11.78 3.45 -9 -9 1 22.15 6.13 9 9 0 130.04 10.73 9 9 1 3.67 2.77 9 9 2 115.12 10.50 9 9 3 6.61 3.67 9 9 4 101.97 10.04 9 9 5 16.41 4.38 9 9 6 21.64 4.88 9 9 7 30.17 5.82 9 9 8 0.77 2.88 9 9 9 13.07 4.49 9 9 10 9.77 4.23 9 10 -2 33.71 5.26 -9 -10 2 36.24 7.59 9 10 -1 11.91 3.62 -9 -10 1 16.11 5.72 9 10 0 2.29 2.52 9 10 1 44.98 6.64 9 10 2 28.33 5.37 9 10 3 32.44 5.87 9 10 4 177.69 13.59 9 10 5 19.62 4.82 9 10 6 6.73 3.54 9 10 7 11.64 4.45 9 10 8 6.56 3.74 9 10 9 6.28 3.30 9 11 -1 12.82 3.54 9 11 0 27.64 5.36 9 11 1 37.80 6.13 9 11 2 27.49 5.57 9 11 3 33.50 6.08 9 11 4 35.62 6.46 9 11 5 65.51 8.35 9 11 6 5.80 3.18 9 11 7 -0.17 2.76 9 12 0 34.31 5.83 9 12 1 18.57 4.61 9 12 2 4.02 3.01 9 12 3 1.18 2.26 9 12 4 8.87 3.98 9 12 5 -2.06 3.18 9 13 3 10.21 3.84 10 -4 -1 6.08 3.60 10 -4 0 54.94 7.75 10 -4 1 -2.55 3.41 10 -4 2 6.60 3.51 -10 3 6 25.64 6.26 -10 3 5 24.12 5.63 -10 3 4 1.33 3.06 -10 3 3 48.93 7.58 -10 3 2 4.04 3.08 -10 3 1 4.52 3.55 -10 3 0 5.01 3.46 10 -3 1 11.67 4.26 10 -3 2 2.91 2.73 10 -3 3 57.24 7.51 -10 2 9 15.22 4.78 -10 2 8 -0.22 2.62 -10 2 7 5.48 3.92 -10 2 6 12.01 4.64 -10 2 5 5.98 3.54 -10 2 4 71.45 9.19 -10 2 3 60.89 8.52 10 -2 -2 23.14 5.62 -10 2 2 16.78 5.35 10 -2 -1 15.98 4.84 -10 2 1 20.77 5.87 10 -2 4 11.26 3.80 -10 1 9 4.78 3.52 -10 1 8 -1.48 3.45 -10 1 7 14.88 5.06 -10 1 6 6.27 4.61 -10 1 5 53.30 8.28 10 -1 -4 1.25 2.90 -10 1 4 -0.92 2.94 10 -1 -3 16.15 4.66 -10 1 3 33.62 6.51 10 -1 -2 -0.82 3.03 -10 1 2 -3.67 3.30 -10 1 1 22.88 5.80 10 -1 -1 24.39 5.58 10 -1 0 14.89 4.66 10 -1 1 66.53 8.83 10 -1 2 119.58 11.76 10 -1 3 5.94 4.79 -10 0 8 9.00 4.79 -10 0 7 15.20 4.72 -10 0 6 62.23 9.12 10 0 -5 5.00 2.82 -10 0 5 4.09 3.64 10 0 -4 36.70 6.33 -10 0 4 30.96 6.43 -10 0 3 110.24 11.86 10 0 -3 110.32 10.60 10 0 -2 -1.63 3.15 -10 0 2 4.41 3.20 10 0 -1 31.87 6.11 10 0 0 12.24 4.10 10 0 1 134.40 12.13 10 0 2 27.22 5.72 10 0 3 8.89 4.28 10 0 4 16.11 4.82 10 0 5 0.29 3.02 -10 -1 8 -0.05 2.97 -10 -1 7 23.34 5.99 10 1 -6 45.66 6.66 -10 -1 6 50.13 8.48 10 1 -5 54.74 7.27 -10 -1 5 50.50 8.53 10 1 -4 15.96 4.47 -10 -1 4 21.89 5.92 10 1 -3 12.74 3.96 -10 -1 3 8.29 4.08 10 1 -2 56.58 7.62 -10 -1 2 39.54 7.20 10 1 -1 31.83 5.97 10 1 0 5.84 3.69 10 1 1 27.05 5.58 10 1 2 3.91 2.95 10 1 3 71.29 9.07 10 1 4 9.12 3.76 10 1 5 13.39 4.53 10 1 6 2.28 3.11 10 2 -7 11.29 3.62 -10 -2 7 13.98 4.86 10 2 -6 5.78 3.13 -10 -2 6 11.90 5.03 10 2 -5 23.01 4.90 -10 -2 5 28.96 6.67 10 2 -4 -3.51 2.77 -10 -2 4 0.83 3.51 -10 -2 3 8.31 4.91 10 2 -3 2.33 2.22 -10 -2 2 22.86 6.03 10 2 -2 15.39 4.47 10 2 -1 7.30 3.36 10 2 0 45.49 6.74 10 2 1 -3.49 2.35 10 2 2 1.41 2.54 10 2 3 0.66 2.53 10 2 4 10.93 4.40 10 2 5 3.85 2.73 10 2 6 16.44 4.78 10 2 7 3.94 3.14 10 3 -6 0.28 1.88 -10 -3 6 -0.33 3.64 10 3 -5 3.27 2.57 -10 -3 5 9.89 4.76 -10 -3 4 13.62 4.91 10 3 -4 16.94 4.36 -10 -3 3 21.08 5.58 10 3 -3 27.44 5.29 -10 -3 2 25.31 6.28 10 3 -2 35.54 6.05 10 3 -1 2.37 2.23 10 3 0 1.81 2.37 10 3 1 5.24 3.27 10 3 2 54.70 7.45 10 3 3 11.23 3.98 10 3 4 37.42 6.41 10 3 5 37.69 6.51 10 3 6 16.94 4.94 10 3 7 25.22 5.35 10 3 8 87.94 9.97 10 4 -6 6.51 2.83 -10 -4 5 4.16 4.02 10 4 -5 3.07 2.19 -10 -4 4 -1.05 3.58 10 4 -4 2.01 2.47 -10 -4 3 13.95 5.17 10 4 -3 8.92 3.19 -10 -4 2 19.90 6.02 10 4 -2 15.16 4.22 10 4 -1 1.35 2.18 10 4 0 14.91 4.27 10 4 1 16.93 4.63 10 4 2 38.08 6.31 10 4 3 63.95 8.11 10 4 4 8.64 3.88 10 4 5 26.47 5.61 10 4 6 -2.53 2.84 10 4 7 32.71 6.39 10 4 8 127.05 12.15 10 5 -5 16.79 3.99 -10 -5 4 -0.94 3.15 10 5 -4 2.58 2.42 -10 -5 3 26.89 7.12 10 5 -3 16.77 4.07 -10 -5 2 25.16 6.61 10 5 -2 32.04 5.59 10 5 -1 30.71 5.73 10 5 0 4.65 2.96 10 5 1 2.39 2.76 10 5 2 24.65 5.23 10 5 3 30.96 5.86 10 5 4 32.77 5.98 10 5 5 39.59 6.67 10 5 6 42.64 6.74 10 5 7 16.56 4.58 10 5 8 0.85 2.69 10 6 -4 27.28 4.95 10 6 -3 45.37 6.25 -10 -6 2 9.85 4.77 10 6 -2 6.01 2.94 10 6 -1 43.37 6.54 10 6 0 15.84 4.33 10 6 1 140.93 11.75 10 6 2 15.51 4.28 10 6 3 29.38 5.24 10 6 4 8.38 3.67 10 6 5 0.36 2.69 10 6 6 -4.16 3.45 10 6 7 14.00 4.46 10 6 8 30.22 6.17 10 7 -3 7.91 2.85 10 7 -2 129.34 10.72 10 7 -1 125.30 10.79 10 7 0 3.72 2.77 10 7 1 23.63 5.11 10 7 2 14.73 4.02 10 7 3 0.49 2.81 10 7 4 50.32 7.45 10 7 5 18.33 4.84 10 7 6 40.28 6.94 10 7 7 3.58 3.12 10 8 -2 22.56 4.74 10 8 -1 -5.83 3.03 10 8 0 84.30 8.99 10 8 1 24.30 5.04 10 8 2 65.06 8.17 10 8 3 9.19 3.79 10 8 4 5.86 3.75 10 8 5 7.67 3.88 10 8 6 3.44 2.84 10 8 7 7.44 3.82 10 9 -1 -4.62 2.78 10 9 0 12.64 4.08 10 9 1 40.09 6.42 10 9 2 25.79 5.54 10 9 3 4.76 3.61 10 9 4 21.48 5.22 10 9 5 10.81 4.13 10 9 6 0.37 2.62 10 10 0 5.31 2.79 10 10 1 9.39 3.62 10 10 2 3.91 3.04 10 10 3 134.20 12.41 10 10 4 15.53 4.44 10 11 2 10.10 3.97 10 11 3 -0.94 2.24 11 1 -5 34.15 6.61 11 1 -4 -0.51 2.44 11 2 -5 6.63 3.20 11 2 -4 -0.84 2.37 11 2 -3 15.64 4.48 11 2 -2 -0.15 2.41 11 2 -1 10.49 4.20 11 3 -4 2.63 2.75 11 3 -3 1.53 2.40 11 3 -2 43.72 6.93 11 3 -1 16.37 4.57 11 3 0 3.08 2.81 11 4 -4 50.77 7.23 11 4 -3 3.59 2.91 11 4 -2 64.34 8.34 11 4 -1 0.30 2.94 11 4 0 22.45 5.39 11 4 1 13.69 4.30 11 5 -3 123.83 11.27 11 5 -2 48.77 7.25 11 5 -1 18.08 4.67 11 5 0 60.07 8.26 11 5 1 5.86 3.61 11 5 2 59.94 8.46 11 6 -2 2.18 2.80 11 6 -1 62.94 8.20 11 6 0 -0.41 2.46 11 6 1 4.21 3.14 11 6 2 5.93 2.90 11 7 -1 35.22 6.30 11 7 0 4.29 3.19 11 7 1 2.83 2.55 11 7 2 6.91 3.32 11 8 1 24.17 5.69 0 0 0 0.00 0.00 TITL moc93 in P-1 REM P-1 (#2 in standard setting) CELL 0.71073 8.285612 12.119137 19.239279 82.1050 86.2203 77.0711 ZERR 8.00 0.000331 0.000455 0.000623 0.0029 0.0029 0.0033 LATT 1 SFAC C H N O UNIT 88.00 80.00 8.00 8.00 TREF HKLF 4 END _computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)' _computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)' _computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)' ; _shelx_hkl_checksum 83636 _olex2_submission_special_instructions 'No special instructions were received' _oxdiff_exptl_absorpt_empirical_details ; Empirical correction (ABSPACK) includes: - Absorption correction using spherical harmonics - Frame scaling ; _oxdiff_exptl_absorpt_empirical_full_max 1.132 _oxdiff_exptl_absorpt_empirical_full_min 0.915