####################################################################### # # 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_ca270122_1_1 _database_code_depnum_ccdc_archive 'CCDC 2149819' loop_ _audit_author_name _audit_author_address 'Trapp Nils' ;ETH Zurich Switzerland ; _audit_update_record ; 2022-02-03 deposited with the CCDC. 2022-03-22 downloaded from the CCDC. ; _audit_creation_date 2022-01-27 _audit_creation_method ; Olex2 1.5 (compiled 2021.12.09 svn.r5202d8cf for OlexSys, GUI svn.r6439) ; _shelx_SHELXL_version_number 2018/3 loop_ _audit_author_email david.fischer@org.chem.ethz.ch _audit_contact_author_address ? _audit_contact_author_email ? _audit_contact_author_phone ? _publ_contact_author_id_orcid ? _publ_section_acknowledgements ; X-Ray services provided by SMoCC - The Small Molecule Crystallography Center of ETH Zurich. ; _publ_section_references ; Dolomanov, O.V., Bourhis, L.J., Gildea, R.J, Howard, J.A.K. & Puschmann, H. (2009), J. Appl. Cryst. 42, 339-341. Sheldrick, G.M. (2015). Acta Cryst. A71, 3-8. Sheldrick, G.M. (2015). Acta Cryst. C71, 3-8. ; _chemical_name_common ? _chemical_name_systematic ? _chemical_formula_moiety 'C24 H23 N O3 S' _chemical_formula_sum 'C24 H23 N O3 S' _chemical_formula_weight 405.49 _chemical_absolute_configuration ad _chemical_melting_point ? _chemical_oxdiff_formula C24H23NO3S loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' S S 0.3331 0.5567 '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 monoclinic _space_group_IT_number 4 _space_group_name_H-M_alt 'P 1 21 1' _space_group_name_Hall 'P 2yb' loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y+1/2, -z' _cell_length_a 11.35950(10) _cell_length_b 7.46330(10) _cell_length_c 11.66000(10) _cell_angle_alpha 90 _cell_angle_beta 97.8050(10) _cell_angle_gamma 90 _cell_volume 979.369(18) _cell_formula_units_Z 2 _cell_measurement_reflns_used 15544 _cell_measurement_temperature 100.0(1) _cell_measurement_theta_max 79.5560 _cell_measurement_theta_min 3.8280 _shelx_estimated_absorpt_T_max 0.891 _shelx_estimated_absorpt_T_min 0.651 _exptl_absorpt_coefficient_mu 1.680 _exptl_absorpt_correction_T_max 1.000 _exptl_absorpt_correction_T_min 0.604 _exptl_absorpt_correction_type gaussian _exptl_absorpt_process_details ; CrysAlisPro 1.171.41.119a (Rigaku Oxford Diffraction, 2021) Numerical absorption correction based on gaussian integration over a multifaceted crystal model Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. ; _exptl_absorpt_special_details ? _exptl_crystal_colour 'clear colourless' _exptl_crystal_colour_lustre clear _exptl_crystal_colour_primary colourless _exptl_crystal_density_diffrn 1.375 _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_description plate _exptl_crystal_F_000 428 loop_ _exptl_crystal_face_index_h _exptl_crystal_face_index_k _exptl_crystal_face_index_l _exptl_crystal_face_perp_dist -1 0 0 0.0405 1 0 0 0.0294 0 -1 0 0.1347 0 1 0 0.1421 0 1 -1 0.1281 0 0 1 0.0688 0 0 -1 0.0808 4 0 -7 0.0753 5 -4 0 0.1099 -4 0 7 0.0719 -5 4 0 0.1210 3 -4 3 0.1186 6 0 -5 0.0562 -7 0 4 0.0601 -7 2 0 0.0797 7 -1 2 0.0591 3 -2 5 0.1035 7 1 -2 0.0545 -7 -1 1 0.0436 6 0 4 0.0461 5 -1 5 0.0545 6 3 -1 0.0805 5 0 5 0.0450 -5 0 -5 0.0756 -6 -2 0 0.0819 0 -5 2 0.1344 _exptl_crystal_size_max 0.277 _exptl_crystal_size_mid 0.155 _exptl_crystal_size_min 0.07 loop_ _exptl_oxdiff_crystal_face_indexfrac_h _exptl_oxdiff_crystal_face_indexfrac_k _exptl_oxdiff_crystal_face_indexfrac_l _exptl_oxdiff_crystal_face_x _exptl_oxdiff_crystal_face_y _exptl_oxdiff_crystal_face_z -1.0003 -0.0004 -0.0003 0.0115 0.1364 -0.0003 1.0003 0.0004 0.0003 -0.0115 -0.1364 0.0003 0.0007 -1.0002 -0.0001 -0.1791 0.0154 0.1016 -0.0007 1.0002 0.0001 0.1791 -0.0154 -0.1016 -0.0031 1.0008 -0.9979 0.1160 0.0081 -0.2165 -0.0007 -0.0001 0.9997 0.0633 -0.0231 0.1151 -0.0038 0.0014 -0.9989 -0.0629 0.0237 -0.1151 4.1416 -0.0026 -6.7682 -0.4769 -0.4077 -0.7773 4.6374 -3.7013 0.4759 -0.6863 -0.5864 0.4322 -4.2235 0.0859 6.7209 0.4898 0.4187 0.7633 -4.8165 3.6433 -0.0566 0.7046 0.6020 -0.3781 3.0445 -3.7487 3.1845 -0.5049 -0.4313 0.7482 6.4451 -0.0366 -4.5326 -0.3683 -0.7732 -0.5158 -6.5520 0.1431 4.3349 0.3760 0.7907 0.4822 -6.6679 1.9592 -0.0414 0.4255 0.8801 -0.2059 6.6297 -1.3778 1.5518 -0.2254 -0.9190 0.3207 2.8942 -2.3892 5.4273 -0.1178 -0.4839 0.8682 7.0768 1.0823 -2.2294 -0.0295 -0.9301 -0.3641 -7.3096 -0.5077 0.5995 0.0319 0.9909 0.1181 5.8039 -0.0593 3.8029 0.1627 -0.8790 0.4456 4.9302 -0.5795 4.8070 0.1432 -0.7751 0.6137 6.1232 2.6902 -0.8629 0.3559 -0.8566 -0.3705 4.9109 0.4253 4.8597 0.3267 -0.7892 0.5177 -4.8551 -0.3827 -4.9255 -0.3239 0.7824 -0.5296 -6.2944 -2.3941 -0.3029 -0.3747 0.9025 0.2062 0.1317 -4.7384 1.5213 -0.7535 0.0199 0.6563 _exptl_transmission_factor_max ? _exptl_transmission_factor_min ? _diffrn_reflns_av_R_equivalents 0.0473 _diffrn_reflns_av_unetI/netI 0.0332 _diffrn_reflns_Laue_measured_fraction_full 1.000 _diffrn_reflns_Laue_measured_fraction_max 0.990 _diffrn_reflns_limit_h_max 14 _diffrn_reflns_limit_h_min -14 _diffrn_reflns_limit_k_max 9 _diffrn_reflns_limit_k_min -9 _diffrn_reflns_limit_l_max 14 _diffrn_reflns_limit_l_min -14 _diffrn_reflns_number 20181 _diffrn_reflns_point_group_measured_fraction_full 0.999 _diffrn_reflns_point_group_measured_fraction_max 0.972 _diffrn_reflns_theta_full 67.684 _diffrn_reflns_theta_max 79.778 _diffrn_reflns_theta_min 3.826 _diffrn_ambient_environment N~2~ _diffrn_ambient_temperature 100.0(1) _diffrn_detector 'Hybrid Pixel Array Detector' _diffrn_detector_area_resol_mean 5.8140 _diffrn_detector_type 'Pilatus 300K' _diffrn_measured_fraction_theta_full 1.000 _diffrn_measured_fraction_theta_max 0.990 _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 25.00 114.00 0.50 0.10 -- 48.87 77.00 -30.00 178 2 \w 94.00 178.00 0.50 0.10 -- 110.00 57.00 120.00 168 3 \w 94.00 178.00 0.50 0.10 -- 110.00 57.00 90.00 168 4 \w 98.00 178.00 0.50 0.10 -- 110.00 38.00 150.00 160 5 \w 98.00 178.00 0.50 0.10 -- 110.00 38.00 30.00 160 6 \w 86.00 176.00 0.50 0.10 -- 110.00 77.00 -30.00 180 7 \w 97.00 176.00 0.50 0.10 -- 110.00 19.00 -60.00 158 8 \w 94.00 178.00 0.50 0.10 -- 110.00 57.00-180.00 168 9 \w 98.00 178.00 0.50 0.10 -- 110.00 38.00-150.00 160 10 \w -38.00 27.00 0.50 0.10 -- -48.87 38.00 -90.00 130 11 \w -9.00 27.00 0.50 0.10 -- -48.87 19.00 -30.00 72 12 \w -9.00 27.00 0.50 0.10 -- -48.87 19.00 0.00 72 13 \w -9.00 27.00 0.50 0.10 -- -48.87 19.00 -60.00 72 14 \w -68.00 2.00 0.50 0.10 -- -70.00 57.00 -90.00 140 15 \w -38.00 6.00 0.50 0.10 -- -70.00 38.00-150.00 88 16 \w -38.00 6.00 0.50 0.10 -- -70.00 38.00-180.00 88 17 \w -38.00 6.00 0.50 0.10 -- -70.00 38.00 60.00 88 18 \w -38.00 6.00 0.50 0.10 -- -70.00 38.00 120.00 88 19 \w -86.00 -12.00 0.50 0.10 -- -70.00 125.00 0.00 148 20 \w -114.00 -25.00 0.50 0.10 -- -48.87 -77.00-180.00 178 21 \w -120.00 -33.00 0.50 0.10 -- -48.87 -57.00-120.00 174 22 \w -114.00 -25.00 0.50 0.10 -- -48.87 -77.00 -60.00 178 23 \w -114.00 -25.00 0.50 0.10 -- -48.87 -77.00 0.00 178 24 \w -114.00 -25.00 0.50 0.10 -- -48.87 -77.00 60.00 178 25 \w -136.00 -46.00 0.50 0.10 -- -70.00 -77.00 90.00 180 26 \w -136.00 -46.00 0.50 0.10 -- -70.00 -77.00 150.00 180 27 \w -136.00 -46.00 0.50 0.10 -- -70.00 -77.00 -90.00 180 28 \w -136.00 -80.00 0.50 0.10 -- -70.00 -77.00 -30.00 112 29 \w 40.00 106.00 0.50 0.10 -- 110.00 -99.00 -60.00 132 30 \w 40.00 106.00 0.50 0.10 -- 110.00 -99.00-150.00 132 31 \w 39.00 113.00 0.50 0.10 -- 110.00-125.00 60.00 148 32 \w 39.00 113.00 0.50 0.10 -- 110.00-125.00 150.00 148 33 \w 45.00 134.00 0.50 0.10 -- 110.00 -77.00 -30.00 178 34 \w 38.00 68.00 0.50 0.10 -- 110.00 -57.00-120.00 60 35 \w 38.00 68.00 0.50 0.10 -- 110.00 -57.00 -90.00 60 36 \w 38.00 68.00 0.50 0.10 -- 110.00 -57.00 -60.00 60 37 \w 38.00 68.00 0.50 0.10 -- 110.00 -57.00 30.00 60 38 \w 38.00 68.00 0.50 0.10 -- 110.00 -57.00 60.00 60 39 \w 38.00 68.00 0.50 0.10 -- 110.00 -57.00 90.00 60 40 \w 38.00 68.00 0.50 0.10 -- 110.00 -57.00 120.00 60 41 \w -27.00 9.00 0.50 0.10 -- 48.87 -19.00 -30.00 72 42 \w -27.00 9.00 0.50 0.10 -- 48.87 -19.00 -60.00 72 ; _diffrn_measurement_device 'four-circle diffractometer' _diffrn_measurement_device_type 'XtaLAB Synergy, Dualflex, Pilatus 300K' _diffrn_measurement_method '\w scans' _diffrn_orient_matrix_type 'CrysAlisPro convention (1999,Acta A55,543-557)' _diffrn_orient_matrix_UB_11 -0.0116103000 _diffrn_orient_matrix_UB_12 0.1790181000 _diffrn_orient_matrix_UB_13 0.0632899000 _diffrn_orient_matrix_UB_21 -0.1363862000 _diffrn_orient_matrix_UB_22 -0.0154375000 _diffrn_orient_matrix_UB_23 -0.0232190000 _diffrn_orient_matrix_UB_31 0.0003295000 _diffrn_orient_matrix_UB_32 -0.1015505000 _diffrn_orient_matrix_UB_33 0.1150798000 _diffrn_radiation_monochromator mirror _diffrn_radiation_probe x-ray _diffrn_radiation_type 'Cu K\a' _diffrn_radiation_wavelength 1.54184 _diffrn_source 'micro-focus sealed X-ray tube' _diffrn_source_type 'PhotonJet (Cu) X-ray Source' _reflns_Friedel_coverage 0.822 _reflns_Friedel_fraction_full 0.999 _reflns_Friedel_fraction_max 0.952 _reflns_number_gt 4004 _reflns_number_total 4156 _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 1.171.41.119a (Rigaku OD, 2021)' _computing_data_collection 'CrysAlisPro 1.171.41.119a (Rigaku OD, 2021)' _computing_data_reduction 'CrysAlisPro 1.171.41.119a (Rigaku OD, 2021)' _computing_molecular_graphics 'Olex2 1.5 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 1.5 (Dolomanov et al., 2009)' _computing_structure_refinement 'SHELXL 2018/3 (Sheldrick, 2015)' _computing_structure_solution 'SHELXT 2014/4 (Sheldrick, 2014)' _refine_diff_density_max 0.291 _refine_diff_density_min -0.380 _refine_diff_density_rms 0.044 _refine_ls_abs_structure_details ; Flack x determined using 1718 quotients [(I+)-(I-)]/[(I+)+(I-)] (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259). ; _refine_ls_abs_structure_Flack -0.002(9) _refine_ls_extinction_coef . _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.059 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 263 _refine_ls_number_reflns 4156 _refine_ls_number_restraints 1 _refine_ls_R_factor_all 0.0340 _refine_ls_R_factor_gt 0.0318 _refine_ls_restrained_S_all 1.059 _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^)+(0.0330P)^2^+0.3803P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0748 _refine_ls_wR_factor_ref 0.0778 _refine_special_details ? _olex2_refinement_description ; 1. Fixed Uiso At 1.2 times of: All C(H) groups, All C(H,H) groups At 1.5 times of: All C(H,H,H) groups 2.a Secondary CH2 refined with riding coordinates: C2(H2A,H2B), C3(H3A,H3B), C4(H4A,H4B) 2.b Aromatic/amide H refined with riding coordinates: C7(H7), C8(H8), C9(H9), C10(H10), C11(H11), C13(H13), C14(H14), C15(H15), C16(H16), C17(H17), C19(H19), C20(H20), C22(H22), C23(H23) 2.c Idealised Me refined as rotating group: C24(H24A,H24B,H24C) ; _atom_sites_solution_hydrogens geom _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 S1 S 0.45250(5) 0.27789(8) 0.24789(5) 0.01510(14) Uani 1 1 d . . . . . O1 O 0.65551(14) 0.4770(2) 0.19340(14) 0.0148(4) Uani 1 1 d . . . . . O2 O 0.50081(16) 0.1512(2) 0.17396(15) 0.0202(4) Uani 1 1 d . . . . . O3 O 0.33136(14) 0.2526(3) 0.26743(15) 0.0218(4) Uani 1 1 d . . . . . N1 N 0.45520(17) 0.4816(3) 0.19422(18) 0.0156(4) Uani 1 1 d . . . . . C1 C 0.5505(2) 0.5569(4) 0.1691(2) 0.0140(5) Uani 1 1 d . . . . . C2 C 0.5363(2) 0.7321(3) 0.1052(2) 0.0161(5) Uani 1 1 d . . . . . H2A H 0.486797 0.812465 0.146418 0.019 Uiso 1 1 calc R U . . . H2B H 0.492440 0.709799 0.027183 0.019 Uiso 1 1 calc R U . . . C3 C 0.6516(2) 0.8293(3) 0.0914(2) 0.0166(5) Uani 1 1 d . . . . . H3A H 0.680209 0.897158 0.162750 0.020 Uiso 1 1 calc R U . . . H3B H 0.638215 0.914854 0.026038 0.020 Uiso 1 1 calc R U . . . C4 C 0.7435(2) 0.6894(3) 0.0684(2) 0.0158(5) Uani 1 1 d . . . . . H4A H 0.817886 0.749625 0.054528 0.019 Uiso 1 1 calc R U . . . H4B H 0.713303 0.619431 -0.001566 0.019 Uiso 1 1 calc R U . . . C5 C 0.76852(19) 0.5639(3) 0.1724(2) 0.0140(5) Uani 1 1 d . . . . . C6 C 0.8454(2) 0.4054(3) 0.1431(2) 0.0147(5) Uani 1 1 d . . . . . C7 C 0.9638(2) 0.3858(4) 0.1914(2) 0.0175(5) Uani 1 1 d . . . . . H7 H 0.997742 0.467768 0.248953 0.021 Uiso 1 1 calc R U . . . C8 C 1.0332(2) 0.2471(4) 0.1560(2) 0.0198(6) Uani 1 1 d . . . . . H8 H 1.113971 0.235376 0.189322 0.024 Uiso 1 1 calc R U . . . C9 C 0.9845(2) 0.1269(4) 0.0727(2) 0.0198(5) Uani 1 1 d . . . . . H9 H 1.031496 0.032172 0.048811 0.024 Uiso 1 1 calc R U . . . C10 C 0.8664(2) 0.1450(4) 0.0238(2) 0.0199(5) Uani 1 1 d . . . . . H10 H 0.832804 0.062984 -0.033810 0.024 Uiso 1 1 calc R U . . . C11 C 0.7976(2) 0.2829(4) 0.0593(2) 0.0181(5) Uani 1 1 d . . . . . H11 H 0.716840 0.293795 0.026019 0.022 Uiso 1 1 calc R U . . . C12 C 0.8195(2) 0.6636(3) 0.2822(2) 0.0158(5) Uani 1 1 d . . . . . C13 C 0.7761(2) 0.6381(4) 0.3872(2) 0.0190(5) Uani 1 1 d . . . . . H13 H 0.711092 0.559269 0.391174 0.023 Uiso 1 1 calc R U . . . C14 C 0.8274(2) 0.7276(4) 0.4865(2) 0.0227(6) Uani 1 1 d . . . . . H14 H 0.797458 0.708847 0.557750 0.027 Uiso 1 1 calc R U . . . C15 C 0.9216(2) 0.8434(4) 0.4821(2) 0.0245(6) Uani 1 1 d . . . . . H15 H 0.957349 0.902044 0.550364 0.029 Uiso 1 1 calc R U . . . C16 C 0.9636(2) 0.8735(4) 0.3775(2) 0.0244(6) Uani 1 1 d . . . . . H16 H 1.027097 0.955147 0.373620 0.029 Uiso 1 1 calc R U . . . C17 C 0.9127(2) 0.7842(4) 0.2784(2) 0.0208(5) Uani 1 1 d . . . . . H17 H 0.941839 0.805579 0.206984 0.025 Uiso 1 1 calc R U . . . C18 C 0.54196(19) 0.2780(4) 0.38411(19) 0.0153(4) Uani 1 1 d . . . . . C19 C 0.4942(2) 0.3460(3) 0.4787(2) 0.0162(5) Uani 1 1 d . . . . . H19 H 0.415905 0.393418 0.469599 0.019 Uiso 1 1 calc R U . . . C20 C 0.5627(2) 0.3437(4) 0.5865(2) 0.0180(5) Uani 1 1 d . . . . . H20 H 0.530292 0.389037 0.651685 0.022 Uiso 1 1 calc R U . . . C21 C 0.6783(2) 0.2762(4) 0.6013(2) 0.0178(5) Uani 1 1 d . . . . . C22 C 0.7236(2) 0.2083(4) 0.5049(2) 0.0177(5) Uani 1 1 d . . . . . H22 H 0.802068 0.161284 0.513832 0.021 Uiso 1 1 calc R U . . . C23 C 0.6564(2) 0.2079(4) 0.3960(2) 0.0178(5) Uani 1 1 d . . . . . H23 H 0.687959 0.160600 0.330961 0.021 Uiso 1 1 calc R U . . . C24 C 0.7501(2) 0.2755(5) 0.7200(2) 0.0241(5) Uani 1 1 d . . . . . H24A H 0.753668 0.397271 0.751738 0.036 Uiso 1 1 calc R U . . . H24B H 0.830725 0.233122 0.714326 0.036 Uiso 1 1 calc R U . . . H24C H 0.712450 0.195719 0.771010 0.036 Uiso 1 1 calc R U . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 S1 0.0137(3) 0.0179(3) 0.0134(3) 0.0000(2) 0.00033(19) -0.0015(2) O1 0.0110(8) 0.0165(9) 0.0168(8) 0.0023(7) 0.0018(6) 0.0000(7) O2 0.0262(10) 0.0178(9) 0.0165(9) -0.0029(7) 0.0022(7) -0.0011(8) O3 0.0159(8) 0.0285(11) 0.0204(9) 0.0041(8) 0.0003(6) -0.0045(8) N1 0.0128(10) 0.0191(11) 0.0145(10) -0.0016(8) 0.0004(8) 0.0019(8) C1 0.0150(11) 0.0174(11) 0.0089(10) -0.0048(9) -0.0013(8) 0.0022(9) C2 0.0143(11) 0.0177(13) 0.0159(11) 0.0021(9) 0.0005(9) 0.0035(9) C3 0.0177(12) 0.0155(12) 0.0159(11) 0.0030(9) -0.0003(9) 0.0021(9) C4 0.0137(11) 0.0187(12) 0.0149(11) 0.0022(10) 0.0018(9) -0.0002(10) C5 0.0100(10) 0.0171(12) 0.0149(11) 0.0013(10) 0.0018(9) -0.0019(9) C6 0.0141(11) 0.0174(12) 0.0131(12) 0.0023(10) 0.0034(9) -0.0001(9) C7 0.0167(12) 0.0218(13) 0.0137(12) 0.0026(10) 0.0009(9) 0.0010(10) C8 0.0157(11) 0.0246(15) 0.0189(12) 0.0033(11) 0.0010(9) 0.0047(10) C9 0.0205(12) 0.0199(13) 0.0206(13) 0.0052(11) 0.0087(10) 0.0044(10) C10 0.0222(13) 0.0196(13) 0.0181(12) -0.0025(10) 0.0034(10) -0.0020(10) C11 0.0142(10) 0.0188(11) 0.0207(11) 0.0007(12) 0.0005(9) -0.0007(11) C12 0.0145(11) 0.0166(12) 0.0157(12) 0.0007(10) -0.0005(9) 0.0031(9) C13 0.0174(12) 0.0208(13) 0.0188(13) 0.0016(10) 0.0024(10) 0.0033(10) C14 0.0282(14) 0.0248(14) 0.0146(12) -0.0028(10) 0.0014(10) 0.0075(11) C15 0.0212(13) 0.0265(14) 0.0233(14) -0.0074(12) -0.0057(11) 0.0060(11) C16 0.0199(13) 0.0246(14) 0.0273(15) -0.0053(12) -0.0013(11) -0.0020(11) C17 0.0180(11) 0.0246(13) 0.0195(12) -0.0019(12) 0.0017(9) -0.0015(12) C18 0.0145(10) 0.0154(11) 0.0153(11) 0.0032(11) -0.0003(8) -0.0018(11) C19 0.0150(11) 0.0158(12) 0.0174(12) -0.0011(10) 0.0010(9) 0.0016(9) C20 0.0212(12) 0.0174(12) 0.0156(12) -0.0007(10) 0.0031(10) -0.0009(10) C21 0.0196(11) 0.0150(11) 0.0176(11) 0.0022(12) -0.0015(8) -0.0044(12) C22 0.0119(11) 0.0182(12) 0.0227(13) 0.0029(10) 0.0008(9) 0.0003(9) C23 0.0183(12) 0.0177(12) 0.0176(12) 0.0003(10) 0.0033(9) -0.0008(10) C24 0.0212(12) 0.0303(14) 0.0197(12) 0.0039(14) -0.0018(9) -0.0043(13) _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 S1 O2 1.4375(19) . ? S1 O3 1.4375(17) . ? S1 N1 1.646(2) . ? S1 C18 1.766(2) . ? O1 C1 1.330(3) . ? O1 C5 1.488(3) . ? N1 C1 1.288(3) . ? C1 C2 1.503(4) . ? C2 H2A 0.9900 . ? C2 H2B 0.9900 . ? C2 C3 1.525(3) . ? C3 H3A 0.9900 . ? C3 H3B 0.9900 . ? C3 C4 1.526(3) . ? C4 H4A 0.9900 . ? C4 H4B 0.9900 . ? C4 C5 1.527(3) . ? C5 C6 1.536(3) . ? C5 C12 1.526(3) . ? C6 C7 1.394(3) . ? C6 C11 1.393(4) . ? C7 H7 0.9500 . ? C7 C8 1.397(4) . ? C8 H8 0.9500 . ? C8 C9 1.382(4) . ? C9 H9 0.9500 . ? C9 C10 1.391(4) . ? C10 H10 0.9500 . ? C10 C11 1.389(4) . ? C11 H11 0.9500 . ? C12 C13 1.394(4) . ? C12 C17 1.395(4) . ? C13 H13 0.9500 . ? C13 C14 1.394(4) . ? C14 H14 0.9500 . ? C14 C15 1.381(4) . ? C15 H15 0.9500 . ? C15 C16 1.387(4) . ? C16 H16 0.9500 . ? C16 C17 1.391(4) . ? C17 H17 0.9500 . ? C18 C19 1.390(3) . ? C18 C23 1.390(3) . ? C19 H19 0.9500 . ? C19 C20 1.386(3) . ? C20 H20 0.9500 . ? C20 C21 1.395(3) . ? C21 C22 1.394(4) . ? C21 C24 1.508(3) . ? C22 H22 0.9500 . ? C22 C23 1.390(4) . ? C23 H23 0.9500 . ? C24 H24A 0.9800 . ? C24 H24B 0.9800 . ? C24 H24C 0.9800 . ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag O2 S1 N1 110.55(11) . . ? O2 S1 C18 108.65(12) . . ? O3 S1 O2 117.41(11) . . ? O3 S1 N1 104.43(11) . . ? O3 S1 C18 107.69(10) . . ? N1 S1 C18 107.67(12) . . ? C1 O1 C5 122.57(19) . . ? C1 N1 S1 123.32(18) . . ? O1 C1 C2 121.9(2) . . ? N1 C1 O1 120.9(2) . . ? N1 C1 C2 117.1(2) . . ? C1 C2 H2A 108.4 . . ? C1 C2 H2B 108.4 . . ? C1 C2 C3 115.5(2) . . ? H2A C2 H2B 107.5 . . ? C3 C2 H2A 108.4 . . ? C3 C2 H2B 108.4 . . ? C2 C3 H3A 110.1 . . ? C2 C3 H3B 110.1 . . ? C2 C3 C4 108.1(2) . . ? H3A C3 H3B 108.4 . . ? C4 C3 H3A 110.1 . . ? C4 C3 H3B 110.1 . . ? C3 C4 H4A 109.7 . . ? C3 C4 H4B 109.7 . . ? C3 C4 C5 109.8(2) . . ? H4A C4 H4B 108.2 . . ? C5 C4 H4A 109.7 . . ? C5 C4 H4B 109.7 . . ? O1 C5 C4 109.04(18) . . ? O1 C5 C6 103.29(18) . . ? O1 C5 C12 108.15(18) . . ? C4 C5 C6 110.27(19) . . ? C12 C5 C4 112.1(2) . . ? C12 C5 C6 113.54(19) . . ? C7 C6 C5 122.5(2) . . ? C11 C6 C5 118.8(2) . . ? C11 C6 C7 118.5(2) . . ? C6 C7 H7 119.6 . . ? C6 C7 C8 120.7(2) . . ? C8 C7 H7 119.6 . . ? C7 C8 H8 120.0 . . ? C9 C8 C7 120.0(2) . . ? C9 C8 H8 120.0 . . ? C8 C9 H9 120.1 . . ? C8 C9 C10 119.8(2) . . ? C10 C9 H9 120.1 . . ? C9 C10 H10 120.0 . . ? C11 C10 C9 120.0(2) . . ? C11 C10 H10 120.0 . . ? C6 C11 H11 119.5 . . ? C10 C11 C6 120.9(2) . . ? C10 C11 H11 119.5 . . ? C13 C12 C5 122.1(2) . . ? C13 C12 C17 118.5(2) . . ? C17 C12 C5 119.4(2) . . ? C12 C13 H13 119.8 . . ? C12 C13 C14 120.4(3) . . ? C14 C13 H13 119.8 . . ? C13 C14 H14 119.7 . . ? C15 C14 C13 120.5(3) . . ? C15 C14 H14 119.7 . . ? C14 C15 H15 120.2 . . ? C14 C15 C16 119.7(2) . . ? C16 C15 H15 120.2 . . ? C15 C16 H16 120.0 . . ? C15 C16 C17 120.0(3) . . ? C17 C16 H16 120.0 . . ? C12 C17 H17 119.5 . . ? C16 C17 C12 120.9(2) . . ? C16 C17 H17 119.5 . . ? C19 C18 S1 118.38(17) . . ? C19 C18 C23 121.2(2) . . ? C23 C18 S1 120.38(19) . . ? C18 C19 H19 120.5 . . ? C20 C19 C18 119.0(2) . . ? C20 C19 H19 120.5 . . ? C19 C20 H20 119.4 . . ? C19 C20 C21 121.3(2) . . ? C21 C20 H20 119.4 . . ? C20 C21 C24 119.8(2) . . ? C22 C21 C20 118.5(2) . . ? C22 C21 C24 121.7(2) . . ? C21 C22 H22 119.3 . . ? C23 C22 C21 121.3(2) . . ? C23 C22 H22 119.3 . . ? C18 C23 C22 118.7(2) . . ? C18 C23 H23 120.6 . . ? C22 C23 H23 120.6 . . ? C21 C24 H24A 109.5 . . ? C21 C24 H24B 109.5 . . ? C21 C24 H24C 109.5 . . ? H24A C24 H24B 109.5 . . ? H24A C24 H24C 109.5 . . ? H24B C24 H24C 109.5 . . ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag S1 N1 C1 O1 -4.9(3) . . . . ? S1 N1 C1 C2 171.48(17) . . . . ? S1 C18 C19 C20 178.8(2) . . . . ? S1 C18 C23 C22 -179.2(2) . . . . ? O1 C1 C2 C3 -11.6(3) . . . . ? O1 C5 C6 C7 -134.1(2) . . . . ? O1 C5 C6 C11 50.4(3) . . . . ? O1 C5 C12 C13 12.3(3) . . . . ? O1 C5 C12 C17 -167.8(2) . . . . ? O2 S1 N1 C1 -55.5(2) . . . . ? O2 S1 C18 C19 -160.6(2) . . . . ? O2 S1 C18 C23 18.1(3) . . . . ? O3 S1 N1 C1 177.3(2) . . . . ? O3 S1 C18 C19 -32.5(3) . . . . ? O3 S1 C18 C23 146.2(2) . . . . ? N1 S1 C18 C19 79.6(2) . . . . ? N1 S1 C18 C23 -101.7(2) . . . . ? N1 C1 C2 C3 172.1(2) . . . . ? C1 O1 C5 C4 -30.7(3) . . . . ? C1 O1 C5 C6 -148.0(2) . . . . ? C1 O1 C5 C12 91.4(2) . . . . ? C1 C2 C3 C4 38.4(3) . . . . ? C2 C3 C4 C5 -62.7(3) . . . . ? C3 C4 C5 O1 58.4(3) . . . . ? C3 C4 C5 C6 171.10(19) . . . . ? C3 C4 C5 C12 -61.4(2) . . . . ? C4 C5 C6 C7 109.5(3) . . . . ? C4 C5 C6 C11 -66.0(3) . . . . ? C4 C5 C12 C13 132.6(2) . . . . ? C4 C5 C12 C17 -47.5(3) . . . . ? C5 O1 C1 N1 -176.2(2) . . . . ? C5 O1 C1 C2 7.6(3) . . . . ? C5 C6 C7 C8 -175.2(2) . . . . ? C5 C6 C11 C10 175.2(2) . . . . ? C5 C12 C13 C14 178.0(2) . . . . ? C5 C12 C17 C16 -178.2(2) . . . . ? C6 C5 C12 C13 -101.7(3) . . . . ? C6 C5 C12 C17 78.2(3) . . . . ? C6 C7 C8 C9 -0.3(4) . . . . ? C7 C6 C11 C10 -0.5(4) . . . . ? C7 C8 C9 C10 0.3(4) . . . . ? C8 C9 C10 C11 -0.4(4) . . . . ? C9 C10 C11 C6 0.5(4) . . . . ? C11 C6 C7 C8 0.4(4) . . . . ? C12 C5 C6 C7 -17.2(3) . . . . ? C12 C5 C6 C11 167.2(2) . . . . ? C12 C13 C14 C15 0.3(4) . . . . ? C13 C12 C17 C16 1.7(4) . . . . ? C13 C14 C15 C16 1.4(4) . . . . ? C14 C15 C16 C17 -1.5(4) . . . . ? C15 C16 C17 C12 -0.1(4) . . . . ? C17 C12 C13 C14 -1.9(4) . . . . ? C18 S1 N1 C1 63.0(2) . . . . ? C18 C19 C20 C21 0.6(4) . . . . ? C19 C18 C23 C22 -0.6(4) . . . . ? C19 C20 C21 C22 -0.8(4) . . . . ? C19 C20 C21 C24 -179.9(2) . . . . ? C20 C21 C22 C23 0.3(4) . . . . ? C21 C22 C23 C18 0.4(4) . . . . ? C23 C18 C19 C20 0.1(4) . . . . ? C24 C21 C22 C23 179.4(3) . . . . ? _shelx_res_file ; TITL ca270122_1_1_a.res in P2(1) ca270122_1_1.res created by SHELXL-2018/3 at 14:23:23 on 27-Jan-2022 REM Old TITL ca270122_1_1 in P2(1) REM SHELXT solution in P2(1) REM R1 0.115, Rweak 0.029, Alpha 0.004, Orientation as input REM Flack x = 0.073 ( 0.012 ) from Parsons' quotients REM Formula found by SHELXT: C25 O3 S CELL 1.54184 11.3595 7.4633 11.66 90 97.805 90 ZERR 2 0.0001 0.0001 0.0001 0 0.001 0 LATT -1 SYMM -X,0.5+Y,-Z SFAC C H N O S UNIT 48 46 2 6 2 L.S. 9 PLAN 20 SIZE 0.07 0.15 0.28 TEMP -173 CONF BOND $H list 4 fmap 2 ACTA MORE -1 OMIT -14 0 2 OMIT 8 -7 1 OMIT -14 -1 2 REM REM REM WGHT 0.033000 0.380300 FVAR 0.84697 S1 5 0.452499 0.277888 0.247889 11.00000 0.01367 0.01786 = 0.01336 -0.00003 0.00033 -0.00146 O1 4 0.655512 0.476983 0.193398 11.00000 0.01098 0.01648 = 0.01675 0.00232 0.00178 -0.00001 O2 4 0.500811 0.151218 0.173961 11.00000 0.02618 0.01785 = 0.01652 -0.00291 0.00217 -0.00114 O3 4 0.331359 0.252610 0.267429 11.00000 0.01592 0.02849 = 0.02039 0.00415 0.00031 -0.00449 N1 3 0.455197 0.481579 0.194216 11.00000 0.01278 0.01911 = 0.01452 -0.00157 0.00043 0.00185 C1 1 0.550462 0.556931 0.169104 11.00000 0.01499 0.01742 = 0.00887 -0.00479 -0.00128 0.00216 C2 1 0.536294 0.732138 0.105185 11.00000 0.01433 0.01771 = 0.01595 0.00206 0.00053 0.00346 AFIX 23 H2A 2 0.486797 0.812465 0.146418 11.00000 -1.20000 H2B 2 0.492440 0.709799 0.027183 11.00000 -1.20000 AFIX 0 C3 1 0.651610 0.829341 0.091417 11.00000 0.01774 0.01553 = 0.01587 0.00303 -0.00035 0.00210 AFIX 23 H3A 2 0.680209 0.897158 0.162750 11.00000 -1.20000 H3B 2 0.638215 0.914854 0.026038 11.00000 -1.20000 AFIX 0 C4 1 0.743481 0.689369 0.068431 11.00000 0.01367 0.01874 = 0.01489 0.00224 0.00177 -0.00018 AFIX 23 H4A 2 0.817886 0.749625 0.054528 11.00000 -1.20000 H4B 2 0.713303 0.619431 -0.001566 11.00000 -1.20000 AFIX 0 C5 1 0.768517 0.563931 0.172356 11.00000 0.00996 0.01713 = 0.01490 0.00130 0.00185 -0.00186 C6 1 0.845399 0.405398 0.143134 11.00000 0.01410 0.01740 = 0.01308 0.00225 0.00341 -0.00011 C7 1 0.963830 0.385846 0.191389 11.00000 0.01666 0.02183 = 0.01372 0.00259 0.00088 0.00099 AFIX 43 H7 2 0.997742 0.467768 0.248953 11.00000 -1.20000 AFIX 0 C8 1 1.033243 0.247092 0.156044 11.00000 0.01566 0.02456 = 0.01889 0.00331 0.00101 0.00471 AFIX 43 H8 2 1.113971 0.235376 0.189322 11.00000 -1.20000 AFIX 0 C9 1 0.984490 0.126876 0.072680 11.00000 0.02048 0.01994 = 0.02057 0.00521 0.00874 0.00444 AFIX 43 H9 2 1.031496 0.032172 0.048811 11.00000 -1.20000 AFIX 0 C10 1 0.866415 0.144975 0.023849 11.00000 0.02221 0.01956 = 0.01807 -0.00253 0.00339 -0.00200 AFIX 43 H10 2 0.832804 0.062984 -0.033810 11.00000 -1.20000 AFIX 0 C11 1 0.797606 0.282868 0.059337 11.00000 0.01421 0.01883 = 0.02068 0.00068 0.00055 -0.00066 AFIX 43 H11 2 0.716840 0.293795 0.026019 11.00000 -1.20000 AFIX 0 C12 1 0.819485 0.663578 0.282236 11.00000 0.01454 0.01659 = 0.01569 0.00071 -0.00051 0.00313 C13 1 0.776078 0.638109 0.387231 11.00000 0.01737 0.02082 = 0.01876 0.00158 0.00244 0.00327 AFIX 43 H13 2 0.711092 0.559269 0.391174 11.00000 -1.20000 AFIX 0 C14 1 0.827441 0.727621 0.486509 11.00000 0.02818 0.02483 = 0.01464 -0.00276 0.00143 0.00755 AFIX 43 H14 2 0.797458 0.708847 0.557750 11.00000 -1.20000 AFIX 0 C15 1 0.921566 0.843369 0.482109 11.00000 0.02123 0.02650 = 0.02330 -0.00744 -0.00574 0.00601 AFIX 43 H15 2 0.957349 0.902044 0.550364 11.00000 -1.20000 AFIX 0 C16 1 0.963592 0.873518 0.377515 11.00000 0.01992 0.02459 = 0.02731 -0.00534 -0.00127 -0.00200 AFIX 43 H16 2 1.027097 0.955147 0.373620 11.00000 -1.20000 AFIX 0 C17 1 0.912712 0.784187 0.278366 11.00000 0.01804 0.02464 = 0.01946 -0.00192 0.00169 -0.00155 AFIX 43 H17 2 0.941839 0.805579 0.206984 11.00000 -1.20000 AFIX 0 C18 1 0.541961 0.277975 0.384109 11.00000 0.01449 0.01540 = 0.01526 0.00318 -0.00027 -0.00176 C19 1 0.494242 0.346043 0.478711 11.00000 0.01504 0.01583 = 0.01742 -0.00113 0.00099 0.00165 AFIX 43 H19 2 0.415905 0.393418 0.469599 11.00000 -1.20000 AFIX 0 C20 1 0.562695 0.343748 0.586548 11.00000 0.02117 0.01736 = 0.01562 -0.00068 0.00308 -0.00085 AFIX 43 H20 2 0.530292 0.389037 0.651685 11.00000 -1.20000 AFIX 0 C21 1 0.678290 0.276200 0.601288 11.00000 0.01964 0.01504 = 0.01763 0.00223 -0.00148 -0.00441 C22 1 0.723630 0.208265 0.504927 11.00000 0.01192 0.01819 = 0.02268 0.00291 0.00082 0.00034 AFIX 43 H22 2 0.802068 0.161284 0.513832 11.00000 -1.20000 AFIX 0 C23 1 0.656355 0.207871 0.396006 11.00000 0.01825 0.01773 = 0.01757 0.00034 0.00328 -0.00082 AFIX 43 H23 2 0.687959 0.160600 0.330961 11.00000 -1.20000 AFIX 0 C24 1 0.750064 0.275518 0.719977 11.00000 0.02116 0.03025 = 0.01972 0.00393 -0.00183 -0.00428 AFIX 137 H24A 2 0.753668 0.397271 0.751738 11.00000 -1.50000 H24B 2 0.830725 0.233122 0.714326 11.00000 -1.50000 H24C 2 0.712450 0.195719 0.771010 11.00000 -1.50000 AFIX 0 HKLF 4 REM ca270122_1_1_a.res in P2(1) REM wR2 = 0.0778, GooF = S = 1.059, Restrained GooF = 1.059 for all data REM R1 = 0.0318 for 4004 Fo > 4sig(Fo) and 0.0340 for all 4156 data REM 263 parameters refined using 1 restraints END WGHT 0.0331 0.3795 REM Highest difference peak 0.291, deepest hole -0.380, 1-sigma level 0.044 Q1 1 0.5016 0.2803 0.3216 11.00000 0.05 0.29 Q2 1 0.8111 0.4770 0.1642 11.00000 0.05 0.20 Q3 1 0.8292 0.6886 0.0358 11.00000 0.05 0.17 Q4 1 0.7953 0.6543 0.3332 11.00000 0.05 0.16 Q5 1 0.5906 0.7803 0.1044 11.00000 0.05 0.15 Q6 1 0.8420 0.7740 0.2682 11.00000 0.05 0.15 Q7 1 0.5085 0.2804 0.4267 11.00000 0.05 0.15 Q8 1 0.8056 0.0665 0.5616 11.00000 0.05 0.14 Q9 1 0.8948 0.3610 0.1829 11.00000 0.05 0.14 Q10 1 1.0453 0.6482 0.3751 11.00000 0.05 0.14 Q11 1 1.0220 0.5365 0.1590 11.00000 0.05 0.14 Q12 1 0.4824 0.7806 0.1119 11.00000 0.05 0.14 Q13 1 0.8994 0.5573 0.5051 11.00000 0.05 0.14 Q14 1 0.6731 0.1937 0.8553 11.00000 0.05 0.13 Q15 1 0.5015 0.1651 0.6754 11.00000 0.05 0.13 Q16 1 0.7204 0.2682 0.6542 11.00000 0.05 0.13 Q17 1 0.7820 0.6419 0.2348 11.00000 0.05 0.13 Q18 1 0.6136 0.4910 0.0241 11.00000 0.05 0.13 Q19 1 0.6154 0.2820 0.5986 11.00000 0.05 0.13 Q20 1 0.4254 0.3284 0.4864 11.00000 0.05 0.13 ; _shelx_res_checksum 28173 _shelx_hkl_file ; 0 -9 0 1.33 1.69 0 -9 -1 60.49 6.64 0 -9 1 60.85 6.31 0 -9 2 126.67 8.30 0 -9 -2 17.03 3.87 0 -9 3 33.17 3.93 0 -8 0 182.51 14.52 0 -8 0 180.52 13.33 0 -8 0 186.63 13.41 0 -8 -1 42.02 6.81 0 -8 1 44.75 6.66 0 -8 1 36.96 5.93 0 -8 1 54.53 9.65 0 -8 -2 292.47 18.82 0 -8 -2 284.20 18.10 0 -8 2 245.85 18.58 0 -8 2 296.87 17.37 0 -8 -2 317.19 16.41 0 -8 2 263.62 20.99 0 -8 -2 282.22 23.91 0 -8 -3 132.62 11.71 0 -8 -3 140.08 11.91 0 -8 3 121.03 11.80 0 -8 3 115.51 12.46 0 -8 -3 116.74 14.90 0 -8 4 15.88 4.09 0 -8 -4 24.26 6.69 0 -8 5 38.43 5.64 0 -8 -5 37.90 7.95 0 -8 6 75.85 6.90 0 -8 -6 57.83 9.30 0 -8 -7 72.28 9.02 0 -7 0 0.89 2.05 0 -7 0 1.57 2.55 0 -7 0 -1.61 5.24 0 -7 -1 204.40 16.57 0 -7 -1 188.05 16.46 0 -7 1 202.53 16.47 0 -7 1 219.43 15.79 0 -7 1 193.99 15.77 0 -7 -1 184.31 21.69 0 -7 -2 212.17 17.28 0 -7 -2 201.66 16.52 0 -7 2 213.02 14.62 0 -7 2 182.66 15.29 0 -7 -2 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4.86 0 1 8 24.08 4.75 0 1 8 28.87 5.02 0 1 8 30.10 4.97 0 1 8 27.55 3.77 0 1 -8 21.07 4.19 0 1 -8 24.78 4.14 0 1 9 322.88 17.39 0 1 9 322.47 19.49 0 1 -9 334.22 22.05 0 1 9 321.95 20.02 0 1 9 349.48 20.13 0 1 9 366.01 20.56 0 1 9 338.52 20.10 0 1 -9 359.96 18.78 0 1 10 61.82 7.91 0 1 -10 67.07 9.68 0 1 10 63.48 8.16 0 1 10 57.65 7.80 0 1 10 71.48 8.94 0 1 -10 73.13 8.44 0 1 -10 58.33 7.17 0 1 -11 298.22 22.06 0 1 11 314.81 19.52 0 1 11 361.22 21.44 0 1 12 6.71 3.20 0 1 12 16.98 3.85 0 1 12 11.45 3.49 0 1 12 10.67 3.35 0 1 13 49.79 6.04 0 1 13 39.66 4.84 0 1 13 41.96 5.12 0 1 14 32.04 3.92 0 2 0 9495.21 265.20 0 2 0 9321.72 262.77 0 2 0 9270.11 263.38 0 2 1 1426.24 43.97 0 2 1 1451.38 42.76 0 2 1 1440.69 43.35 0 2 2 164.78 8.50 0 2 2 140.44 8.15 0 2 2 159.86 8.09 0 2 3 547.03 21.96 0 2 3 573.61 21.26 0 2 3 516.91 21.10 0 2 3 563.36 19.36 0 2 4 544.75 23.32 0 2 4 573.35 22.08 0 2 4 563.17 19.33 0 2 4 557.37 22.14 0 2 4 583.89 19.96 0 2 5 1001.14 38.93 0 2 5 1034.93 33.91 0 2 5 1056.97 37.17 0 2 5 1089.40 37.36 0 2 5 1050.15 33.86 0 2 6 1401.25 52.18 0 2 6 1439.38 46.45 0 2 6 1434.54 49.92 0 2 6 1448.43 49.18 0 2 6 1492.63 46.03 0 2 7 29.88 3.78 0 2 7 32.04 5.23 0 2 7 27.91 4.99 0 2 7 21.37 3.90 0 2 7 33.94 5.24 0 2 8 984.32 35.78 0 2 8 952.72 38.43 0 2 8 1029.44 39.47 0 2 8 1025.88 41.66 0 2 8 1055.17 42.24 0 2 8 988.36 37.84 0 2 8 1041.99 39.30 0 2 8 1048.26 41.32 0 2 -8 1002.80 42.75 0 2 -8 1002.96 37.32 0 2 9 392.76 18.12 0 2 9 381.42 19.73 0 2 9 379.87 22.49 0 2 9 392.59 20.54 0 2 9 391.15 22.78 0 2 -9 376.09 23.26 0 2 9 404.73 22.78 0 2 9 436.83 23.64 0 2 9 399.19 21.02 0 2 9 358.25 18.72 0 2 -9 409.19 19.89 0 2 -10 19.35 5.17 0 2 10 19.16 4.65 0 2 10 15.05 3.44 0 2 10 18.05 4.56 0 2 10 13.31 4.00 0 2 10 22.35 4.41 0 2 -10 15.82 3.91 0 2 11 32.59 5.89 0 2 11 33.59 5.21 0 2 11 28.63 6.39 0 2 12 113.48 10.59 0 2 12 109.94 8.61 0 2 12 135.50 10.82 0 2 12 102.61 10.88 0 2 13 17.21 3.26 0 2 13 21.81 3.98 0 2 14 13.19 2.33 0 3 0 2.19 1.39 0 3 0 -0.23 0.84 0 3 1 626.64 24.74 0 3 1 578.91 22.00 0 3 -1 628.34 25.11 0 3 1 663.19 22.92 0 3 -1 627.10 20.77 0 3 -1 610.17 21.81 0 3 2 478.33 20.35 0 3 2 463.93 19.46 0 3 -2 487.28 16.40 0 3 -2 510.43 21.68 0 3 -2 474.57 17.93 0 3 3 199.18 11.70 0 3 3 190.69 8.05 0 3 3 200.71 11.87 0 3 3 217.62 11.68 0 3 -3 209.11 10.23 0 3 3 200.82 10.01 0 3 4 515.55 18.15 0 3 4 575.80 23.44 0 3 4 495.59 23.43 0 3 4 561.61 23.24 0 3 -4 531.02 21.35 0 3 4 565.15 20.57 0 3 5 267.70 14.96 0 3 5 233.87 15.33 0 3 5 247.42 10.80 0 3 5 298.27 15.94 0 3 5 284.72 12.63 0 3 -5 270.01 14.32 0 3 6 249.33 15.12 0 3 6 231.96 15.97 0 3 6 263.15 15.93 0 3 6 237.91 14.76 0 3 6 250.03 15.12 0 3 -6 242.81 14.56 0 3 6 229.07 11.41 0 3 7 413.60 22.54 0 3 7 423.35 22.96 0 3 7 423.00 22.74 0 3 7 429.49 21.83 0 3 7 432.77 22.27 0 3 -7 423.54 22.08 0 3 8 162.76 12.99 0 3 8 162.84 13.48 0 3 8 144.49 12.22 0 3 8 165.03 13.58 0 3 8 140.03 11.66 0 3 8 150.15 12.59 0 3 -8 156.67 10.41 0 3 -8 157.67 10.75 0 3 9 523.93 25.97 0 3 9 533.12 27.79 0 3 9 534.99 26.32 0 3 9 473.49 26.93 0 3 9 561.51 27.58 0 3 9 510.43 24.76 0 3 -9 494.63 23.24 0 3 10 12.29 2.89 0 3 10 11.63 4.11 0 3 10 5.66 2.82 0 3 10 12.15 3.46 0 3 -10 7.27 3.48 0 3 10 10.59 3.69 0 3 11 271.19 18.68 0 3 11 263.07 16.70 0 3 11 222.87 16.10 0 3 12 103.68 9.41 0 3 12 113.43 9.45 0 3 13 75.06 6.64 0 4 0 358.68 18.74 0 4 0 352.92 15.31 0 4 1 13.82 2.48 0 4 -1 27.15 4.56 0 4 1 20.23 4.05 0 4 -1 23.39 2.99 0 4 -1 18.55 2.70 0 4 2 745.10 29.12 0 4 2 792.03 32.20 0 4 -2 795.51 33.24 0 4 2 832.14 30.37 0 4 -2 808.42 26.32 0 4 -2 739.59 26.48 0 4 3 26.75 4.71 0 4 -3 39.18 6.04 0 4 3 29.56 4.49 0 4 3 31.96 4.63 0 4 3 39.32 4.54 0 4 -3 31.22 3.30 0 4 4 329.76 18.28 0 4 4 321.84 17.87 0 4 4 330.97 15.54 0 4 -4 351.53 20.50 0 4 5 10.04 3.05 0 4 -5 17.81 4.54 0 4 5 14.55 3.79 0 4 5 13.41 3.62 0 4 5 15.89 3.78 0 4 5 10.11 3.94 0 4 5 15.90 2.85 0 4 6 428.26 23.07 0 4 6 420.19 22.86 0 4 6 437.47 23.35 0 4 6 468.13 24.12 0 4 6 455.75 24.08 0 4 6 496.61 26.47 0 4 6 431.39 22.69 0 4 7 9.79 3.60 0 4 7 19.37 4.88 0 4 7 14.52 4.18 0 4 7 17.19 4.76 0 4 7 10.80 3.62 0 4 7 14.19 3.89 0 4 7 13.76 3.61 0 4 8 115.86 11.45 0 4 8 119.75 11.92 0 4 8 118.48 11.41 0 4 8 103.52 10.47 0 4 -8 118.15 12.76 0 4 9 21.59 4.84 0 4 -9 21.46 5.36 0 4 9 18.34 4.51 0 4 9 20.51 4.45 0 4 9 19.39 5.14 0 4 10 91.94 9.24 0 4 10 62.67 8.81 0 4 10 64.01 7.74 0 4 10 75.34 9.05 0 4 11 4.19 2.08 0 4 11 4.35 2.25 0 4 11 0.54 1.52 0 4 11 2.98 1.94 0 4 12 104.15 7.99 0 4 12 88.87 7.41 0 5 0 0.69 1.59 0 5 0 -0.41 0.81 0 5 1 295.66 18.17 0 5 -1 272.22 18.28 0 5 1 262.80 15.02 0 5 -1 263.18 13.33 0 5 1 270.24 15.86 0 5 -2 198.88 15.63 0 5 2 183.63 14.40 0 5 -2 194.98 9.77 0 5 2 205.55 13.54 0 5 3 114.83 10.79 0 5 -3 121.98 12.06 0 5 3 105.12 10.33 0 5 3 105.34 9.48 0 5 3 105.80 9.84 0 5 3 100.83 8.54 0 5 -4 42.70 7.33 0 5 4 46.39 6.87 0 5 4 50.89 6.73 0 5 4 50.73 7.45 0 5 4 51.11 7.14 0 5 4 49.30 5.64 0 5 -5 373.45 23.86 0 5 5 320.61 20.34 0 5 5 356.28 18.92 0 5 5 393.79 22.55 0 5 5 349.40 20.94 0 5 5 350.76 17.88 0 5 5 344.12 16.84 0 5 6 116.69 12.14 0 5 6 122.72 10.13 0 5 6 124.68 11.99 0 5 6 125.69 10.89 0 5 6 128.20 12.49 0 5 6 129.59 13.42 0 5 6 125.23 11.93 0 5 -7 384.58 25.18 0 5 7 376.33 22.65 0 5 7 402.50 24.12 0 5 7 356.07 22.11 0 5 7 376.65 20.41 0 5 7 395.05 23.36 0 5 7 433.26 24.98 0 5 7 400.93 23.37 0 5 8 98.50 10.99 0 5 -8 116.85 12.68 0 5 8 121.41 11.80 0 5 8 138.62 12.57 0 5 8 107.63 10.92 0 5 8 121.15 10.54 0 5 9 43.15 6.96 0 5 9 57.25 7.44 0 5 9 45.39 6.20 0 5 10 2.41 2.19 0 5 10 6.08 2.22 0 5 10 7.52 2.42 0 5 10 7.20 2.58 0 5 11 35.59 5.06 0 5 11 41.10 4.65 0 5 11 43.78 4.81 0 6 0 136.90 13.45 0 6 0 152.74 11.95 0 6 0 144.05 10.47 0 6 0 147.17 12.47 0 6 1 89.34 10.48 0 6 -1 79.73 10.11 0 6 1 89.36 9.36 0 6 -1 75.13 7.83 0 6 1 83.45 8.26 0 6 2 448.40 26.37 0 6 -2 445.94 27.61 0 6 2 554.39 26.99 0 6 2 484.45 22.86 0 6 2 478.53 24.25 0 6 2 478.92 23.56 0 6 3 183.96 13.09 0 6 3 176.10 14.73 0 6 3 155.92 14.00 0 6 -3 165.90 15.48 0 6 3 160.94 11.82 0 6 4 108.60 11.57 0 6 -4 114.44 12.97 0 6 4 136.98 12.81 0 6 4 119.37 10.88 0 6 4 107.59 10.98 0 6 4 119.05 9.50 0 6 5 56.08 8.31 0 6 5 40.18 6.81 0 6 5 40.39 6.71 0 6 5 45.92 8.57 0 6 5 42.35 6.66 0 6 5 39.95 6.97 0 6 -6 297.59 21.85 0 6 6 320.53 21.47 0 6 6 303.94 19.83 0 6 6 280.97 19.15 0 6 6 310.09 20.61 0 6 6 372.38 24.05 0 6 7 73.71 8.66 0 6 7 72.88 9.09 0 6 7 67.02 9.16 0 6 8 102.04 7.75 0 6 8 100.48 7.71 0 6 8 91.55 9.61 0 6 8 107.69 10.43 0 6 9 8.92 2.70 0 6 9 9.11 2.95 0 6 9 2.70 2.24 0 6 10 140.07 9.75 0 6 10 127.76 8.98 0 7 0 -0.56 1.27 0 7 0 1.84 1.83 0 7 1 201.13 14.22 0 7 1 159.88 14.86 0 7 1 159.20 13.21 0 7 -1 184.09 16.41 0 7 -1 175.25 14.36 0 7 1 195.61 13.96 0 7 2 180.80 14.59 0 7 2 161.39 15.05 0 7 -2 194.08 16.94 0 7 2 211.10 15.26 0 7 2 190.06 13.55 0 7 -2 210.54 16.03 0 7 2 205.19 13.83 0 7 -3 12.46 4.27 0 7 3 13.96 4.33 0 7 3 8.52 3.09 0 7 3 15.14 3.40 0 7 3 12.33 3.42 0 7 3 9.06 2.66 0 7 4 20.90 4.88 0 7 4 20.34 4.10 0 7 4 32.78 7.65 0 7 5 84.22 9.63 0 7 5 75.13 10.58 0 7 5 74.91 8.02 0 7 6 28.83 5.32 0 7 6 24.57 4.43 0 7 7 6.60 2.54 0 7 7 8.80 3.02 0 7 8 23.74 3.78 0 7 8 18.85 3.79 0 7 9 74.82 6.26 0 8 0 180.17 12.70 0 8 1 47.48 5.42 0 8 1 50.45 6.08 0 8 2 368.43 24.44 0 8 2 310.71 16.94 0 8 -2 319.97 18.70 0 8 3 141.93 10.77 0 8 -3 125.49 11.05 0 8 4 18.37 4.96 0 8 5 47.46 5.86 0 8 5 42.01 6.54 0 8 6 80.97 7.11 0 8 6 49.66 5.93 0 8 7 86.49 6.70 0 8 8 26.18 2.71 0 9 0 1.13 1.71 0 9 -1 61.77 6.99 0 9 1 72.24 7.94 0 9 -2 154.19 10.14 0 9 2 143.18 11.32 0 9 3 26.96 3.72 0 9 3 26.07 4.40 0 9 4 3.32 1.19 0 9 4 2.67 1.53 1 -9 -4 63.97 6.82 -1 -9 3 0.93 0.53 1 -9 -3 28.56 5.10 1 -9 -2 38.75 5.99 1 -9 -1 69.80 7.05 -1 -9 0 1.54 1.59 1 -9 0 5.39 2.19 -1 -9 -1 173.98 9.93 1 -9 1 214.45 11.22 1 -9 2 33.24 4.43 1 -9 3 24.15 3.40 1 -9 4 10.07 1.96 1 -8 -8 100.37 8.29 1 -8 -7 12.43 3.86 -1 -8 6 14.86 2.97 1 -8 -6 14.37 4.68 1 -8 -5 11.17 4.97 -1 -8 4 75.87 8.39 1 -8 -4 87.16 12.63 1 -8 -3 7.27 2.84 1 -8 -3 6.21 2.86 -1 -8 3 4.45 2.48 -1 -8 3 6.07 3.00 1 -8 -3 10.25 5.30 1 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13.28 -1 -7 -3 168.94 14.93 -1 -7 -3 184.71 15.42 1 -7 3 167.78 13.71 1 -7 3 137.20 14.72 -1 -7 -3 159.59 12.74 -1 -7 -3 176.31 21.44 -1 -7 -4 20.60 5.02 1 -7 4 11.16 4.29 -1 -7 -4 18.10 3.68 -1 -7 -4 19.00 7.42 -1 -7 -5 6.11 3.04 -1 -7 -5 6.06 2.68 1 -7 5 7.63 3.64 1 -7 5 2.31 2.97 -1 -7 -5 8.52 5.17 1 -7 6 2.98 2.57 -1 -7 -6 -1.60 4.49 1 -7 7 197.32 14.22 -1 -7 -7 210.24 21.08 1 -7 8 12.01 3.03 -1 -7 -8 11.26 5.17 1 -7 9 16.38 2.85 -1 -7 -9 6.13 3.64 1 -6 -11 28.69 3.62 1 -6 -11 24.12 5.27 -1 -6 10 0.39 1.00 1 -6 -10 1.08 2.48 -1 -6 9 11.85 3.02 1 -6 -9 17.43 6.88 1 -6 -8 166.35 20.79 1 -6 -7 37.11 5.91 1 -6 -7 37.98 10.71 -1 -6 7 32.80 5.55 -1 -6 7 36.70 6.73 1 -6 -6 130.05 12.60 1 -6 -6 152.55 21.06 1 -6 -6 121.82 17.11 -1 -6 6 110.73 12.49 -1 -6 6 114.75 10.34 1 -6 -6 115.65 11.88 -1 -6 5 304.70 23.74 1 -6 -5 305.21 28.37 1 -6 -5 375.10 33.10 -1 -6 5 331.55 20.64 -1 -6 5 340.17 23.27 -1 -6 5 338.18 18.94 1 -6 -5 365.32 21.63 -1 -6 4 63.11 7.92 -1 -6 4 71.02 7.33 1 -6 -4 70.47 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4 11 23.44 4.09 -1 4 10 72.25 9.79 -1 4 10 100.60 9.57 -1 4 10 72.71 8.37 -1 4 10 79.21 9.40 -1 4 9 35.33 6.12 1 4 -9 34.17 6.12 -1 4 9 43.41 6.50 -1 4 9 43.26 6.37 -1 4 9 37.11 6.38 -1 4 9 52.00 7.74 1 4 -8 16.73 4.50 -1 4 8 19.24 4.59 -1 4 8 19.93 4.88 -1 4 8 16.07 4.23 -1 4 8 11.37 3.28 -1 4 7 103.33 10.15 -1 4 7 106.06 10.66 -1 4 7 112.49 11.07 -1 4 7 115.37 11.99 -1 4 7 91.60 9.61 -1 4 7 97.13 9.46 1 4 -7 110.32 11.29 -1 4 6 218.86 16.65 -1 4 6 230.22 15.31 -1 4 6 223.46 14.91 -1 4 6 264.42 17.00 -1 4 6 238.28 17.98 -1 4 6 216.53 15.44 -1 4 6 251.30 14.99 -1 4 6 231.20 15.51 1 4 -6 241.75 16.98 -1 4 5 50.22 7.12 -1 4 5 58.32 7.48 -1 4 5 56.65 7.01 1 4 -4 4.40 2.50 -1 4 4 2.20 1.01 -1 4 4 4.75 2.18 -1 4 4 8.67 2.68 -1 4 4 3.52 1.31 -1 4 3 123.54 9.73 -1 4 3 122.56 9.89 1 4 -3 131.01 10.81 -1 4 3 116.93 9.13 1 4 -3 110.06 5.84 -1 4 3 111.23 7.74 1 4 -2 87.72 8.43 -1 4 2 77.21 7.66 -1 4 2 79.83 7.06 -1 4 2 86.39 7.39 1 4 -2 79.77 4.85 -1 4 1 321.03 15.15 1 4 -1 318.41 17.82 -1 4 1 334.52 18.00 1 4 -1 343.46 14.31 -1 4 1 323.87 15.56 -1 4 1 350.36 17.27 -1 4 0 993.95 38.07 -1 4 0 892.81 31.81 1 4 0 985.81 37.38 -1 4 0 994.93 33.49 1 4 0 992.92 33.75 -1 4 0 978.34 35.28 -1 4 -1 448.67 22.35 1 4 1 436.80 21.06 -1 4 -1 416.23 16.77 -1 4 -1 410.71 19.04 1 4 1 458.62 20.07 1 4 2 458.86 22.70 -1 4 -2 496.28 24.62 1 4 2 522.93 22.27 -1 4 -2 482.34 17.17 1 4 2 477.15 21.03 -1 4 -2 484.91 21.07 1 4 3 2.16 1.64 -1 4 -3 7.00 2.78 1 4 3 5.48 2.22 -1 4 -3 6.18 1.71 -1 4 -3 4.70 2.03 1 4 4 91.63 8.88 1 4 4 87.17 8.61 -1 4 -4 82.88 6.92 -1 4 -4 75.37 7.46 1 4 4 86.68 7.38 1 4 5 139.43 11.77 1 4 5 166.90 12.71 1 4 5 146.71 11.50 1 4 5 135.98 11.93 1 4 5 152.59 12.33 -1 4 -5 160.75 10.75 -1 4 -5 143.53 11.14 1 4 5 159.27 10.42 1 4 6 450.55 24.56 1 4 6 409.28 23.59 1 4 6 445.80 24.02 1 4 6 435.82 24.04 1 4 6 502.92 25.87 1 4 6 404.43 22.80 1 4 6 427.48 23.86 1 4 6 433.47 22.09 1 4 6 444.17 23.76 -1 4 -6 502.17 22.36 1 4 6 431.37 19.69 1 4 7 313.35 20.20 1 4 7 292.67 18.90 1 4 7 341.47 19.39 1 4 7 282.99 18.99 1 4 7 320.51 20.08 1 4 7 305.35 19.66 1 4 8 574.42 29.67 1 4 8 600.74 30.07 1 4 8 624.96 30.77 1 4 9 47.22 7.16 1 4 9 51.98 6.93 1 4 9 54.93 7.57 1 4 9 56.74 8.10 1 4 9 43.96 7.27 1 4 9 50.58 7.63 1 4 9 58.07 7.51 1 4 10 26.57 5.16 1 4 10 29.03 5.27 1 4 10 24.55 4.47 1 4 10 21.57 4.77 1 4 11 19.44 3.98 1 4 11 22.44 4.35 1 4 12 14.62 2.85 1 4 12 13.62 2.93 1 4 12 7.93 2.14 1 4 13 5.95 1.35 -1 5 11 14.06 2.68 -1 5 11 11.81 3.06 -1 5 11 10.90 2.57 -1 5 11 10.31 2.86 -1 5 10 2.19 1.42 -1 5 10 0.46 1.29 -1 5 10 -0.61 1.84 -1 5 10 1.67 2.02 -1 5 9 45.95 6.11 -1 5 9 55.61 6.60 -1 5 9 41.33 6.58 1 5 -8 57.19 8.15 -1 5 8 55.93 7.73 -1 5 8 55.11 6.89 -1 5 8 56.80 8.11 -1 5 8 63.16 8.94 -1 5 8 57.43 8.15 1 5 -7 55.31 8.29 -1 5 7 82.87 10.20 -1 5 7 65.27 8.31 -1 5 7 66.07 7.32 -1 5 7 55.39 7.81 -1 5 7 74.49 10.29 -1 5 7 62.08 8.27 -1 5 7 52.41 7.86 -1 5 6 172.81 13.93 1 5 -6 150.96 14.15 -1 5 6 181.17 16.59 -1 5 6 182.36 14.78 -1 5 6 156.95 11.33 -1 5 6 145.32 12.91 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66.63 8.37 1 5 4 77.81 7.75 1 5 4 70.23 8.83 1 5 4 64.06 8.09 1 5 4 68.60 7.22 -1 5 -5 257.28 20.34 1 5 5 240.10 17.62 1 5 5 250.57 17.64 1 5 5 256.99 18.15 1 5 5 253.16 16.10 1 5 5 254.70 17.33 1 5 5 242.59 17.23 1 5 5 273.93 18.12 1 5 5 239.70 14.17 -1 5 -6 13.13 4.87 1 5 6 11.77 3.83 1 5 6 13.23 4.15 1 5 6 14.32 4.16 1 5 6 23.85 5.65 1 5 6 12.04 4.03 1 5 6 15.09 3.93 1 5 6 10.78 3.76 1 5 6 13.30 3.71 1 5 6 10.39 2.63 1 5 7 293.85 19.93 1 5 7 298.50 17.76 1 5 7 276.99 19.05 1 5 7 313.63 20.28 1 5 7 282.77 19.35 1 5 7 271.94 18.11 1 5 7 297.62 19.55 1 5 8 114.11 11.45 -1 5 -8 113.06 13.15 1 5 8 108.33 10.87 1 5 8 106.84 10.08 1 5 8 125.44 12.18 1 5 8 118.70 11.52 1 5 9 23.45 4.78 1 5 9 33.16 5.38 1 5 9 34.20 5.94 1 5 9 32.30 5.49 1 5 10 149.40 10.72 1 5 10 151.25 10.74 1 5 10 143.10 11.55 1 5 11 10.83 2.54 1 5 11 14.38 3.09 -1 6 11 0.19 0.44 -1 6 10 1.28 1.20 -1 6 10 2.06 1.70 -1 6 10 2.01 1.46 -1 6 9 7.42 2.59 -1 6 9 8.91 3.00 -1 6 8 124.87 11.00 -1 6 8 123.57 11.46 -1 6 7 31.81 5.18 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17.54 1 6 2 294.76 18.44 1 6 3 155.33 13.72 1 6 3 140.55 11.92 -1 6 -3 123.39 13.96 1 6 3 125.05 12.41 1 6 3 124.90 10.68 1 6 4 188.70 15.65 1 6 4 189.77 15.44 -1 6 -4 206.75 18.41 1 6 4 204.00 15.01 1 6 4 198.38 16.13 1 6 4 178.85 14.90 1 6 4 170.18 12.39 -1 6 -5 106.14 13.06 1 6 5 95.54 10.97 1 6 5 112.42 11.81 1 6 5 120.79 12.24 1 6 5 102.31 11.14 1 6 5 94.86 8.32 1 6 6 136.60 13.07 1 6 6 126.87 12.58 1 6 6 131.07 13.21 1 6 6 167.72 14.98 1 6 6 138.17 12.56 1 6 6 149.31 13.29 1 6 7 90.00 10.14 1 6 7 86.77 9.71 1 6 7 87.58 7.49 1 6 8 216.76 15.12 1 6 8 198.44 14.58 1 6 8 214.20 12.12 1 6 9 2.97 1.70 1 6 9 3.18 1.92 1 6 9 1.77 1.31 1 6 9 0.96 1.33 1 6 10 69.87 6.51 -1 7 9 47.67 5.06 -1 7 8 95.89 7.58 -1 7 8 106.64 9.04 -1 7 7 152.91 10.74 -1 7 7 189.03 14.24 -1 7 7 183.71 13.18 -1 7 6 57.99 8.58 -1 7 6 54.81 7.39 -1 7 6 42.73 5.68 1 7 -6 45.29 6.62 -1 7 5 78.71 7.74 -1 7 5 101.61 10.42 -1 7 5 117.19 13.14 1 7 -5 97.94 10.32 -1 7 4 84.88 7.80 -1 7 4 107.71 10.75 1 7 -4 99.66 10.69 -1 7 3 118.89 11.19 -1 7 3 122.82 14.47 -1 7 3 97.07 9.60 1 7 -3 125.63 12.08 -1 7 2 149.54 14.16 1 7 -2 140.77 13.97 -1 7 2 157.58 12.53 -1 7 2 123.09 10.49 1 7 -2 157.98 13.61 -1 7 2 165.01 11.89 1 7 -1 91.61 8.70 -1 7 1 96.91 9.24 -1 7 1 94.34 11.21 1 7 -1 83.20 10.68 1 7 -1 101.04 10.50 -1 7 1 88.55 9.13 -1 7 0 9.99 2.80 1 7 0 10.73 3.41 1 7 0 9.72 3.81 -1 7 0 11.39 4.37 -1 7 0 13.28 3.77 1 7 0 11.15 3.59 1 7 1 373.08 20.93 1 7 1 380.92 24.23 -1 7 -1 415.01 25.96 1 7 1 424.71 23.13 1 7 1 383.44 20.43 -1 7 -1 387.00 23.02 1 7 2 96.27 10.13 -1 7 -2 114.24 13.17 1 7 2 106.01 11.66 1 7 2 116.80 11.58 1 7 2 116.91 9.53 1 7 2 114.28 10.52 1 7 2 111.26 10.32 -1 7 -3 192.71 17.19 1 7 3 197.45 15.41 1 7 3 203.12 13.45 1 7 3 174.73 13.88 1 7 3 148.58 11.68 1 7 4 22.39 5.12 1 7 4 22.17 4.53 1 7 5 2.92 2.01 1 7 5 8.83 3.38 1 7 6 5.36 2.77 1 7 6 4.96 2.37 1 7 6 7.09 3.25 1 7 7 208.20 14.14 1 7 8 8.83 2.49 1 7 9 4.86 1.62 1 7 9 5.99 1.80 -1 8 8 96.97 5.75 -1 8 7 8.16 2.17 -1 8 6 11.04 2.73 -1 8 5 15.77 4.10 -1 8 5 12.54 3.22 -1 8 4 100.78 11.02 -1 8 4 73.44 7.41 -1 8 3 4.54 3.12 -1 8 3 5.05 2.05 1 8 -3 7.12 2.81 -1 8 2 73.28 6.93 -1 8 2 92.38 11.55 1 8 -2 99.93 9.50 -1 8 1 106.96 12.48 1 8 -1 83.04 8.59 -1 8 0 10.57 4.70 1 8 0 17.70 3.32 -1 8 0 20.19 4.07 1 8 0 13.42 3.36 1 8 1 17.49 3.57 -1 8 -1 14.59 3.56 1 8 1 10.23 2.90 1 8 2 93.42 8.66 -1 8 -2 82.80 10.02 1 8 3 4.46 2.90 -1 8 -3 8.41 3.24 1 8 3 4.86 2.40 -1 8 -3 4.95 2.14 -1 8 -4 43.21 4.34 -1 8 -4 50.60 5.76 1 8 4 50.93 6.42 1 8 4 48.65 7.45 1 8 5 13.83 3.44 1 8 6 31.86 4.42 1 8 7 29.91 3.80 -1 9 4 73.41 5.36 -1 9 4 60.52 5.92 -1 9 3 44.32 4.68 1 9 -3 28.96 3.80 -1 9 3 41.24 5.42 -1 9 2 47.50 5.29 -1 9 2 43.27 5.96 -1 9 1 101.70 7.97 -1 9 1 110.52 9.62 1 9 -1 88.14 8.87 -1 9 0 1.87 1.36 -1 9 0 4.55 2.39 1 9 0 3.53 2.70 1 9 1 256.78 15.95 -1 9 -2 32.10 3.30 1 9 2 28.70 4.89 -1 9 -2 26.26 3.51 1 9 3 27.66 4.29 2 -9 -4 -0.45 1.26 2 -9 -3 105.67 9.63 2 -9 -2 4.79 1.89 2 -9 -2 1.80 1.83 2 -9 -1 91.83 7.89 2 -9 -1 102.47 9.83 2 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2 -7 -8 106.72 13.54 -2 -7 7 302.51 14.92 -2 -7 7 285.33 16.05 2 -7 -7 330.97 26.23 2 -7 -6 8.22 3.25 -2 -7 6 13.40 3.71 -2 -7 6 11.75 2.77 2 -7 -6 13.74 6.79 2 -7 -6 14.10 3.48 -2 -7 5 19.27 4.72 -2 -7 5 17.52 3.31 -2 -7 5 15.46 3.86 2 -7 -5 12.67 3.37 2 -7 -5 16.35 6.77 2 -7 -4 26.66 6.10 -2 -7 4 23.71 5.16 -2 -7 4 28.65 4.15 -2 -7 4 29.58 5.99 2 -7 -4 28.57 4.76 2 -7 -4 27.13 8.73 2 -7 -3 37.91 7.38 -2 -7 3 33.72 5.53 -2 -7 3 45.28 7.31 2 -7 -3 27.21 8.78 2 -7 -2 102.08 12.26 -2 -7 2 87.47 9.57 -2 -7 2 105.58 11.77 -2 -7 2 79.82 11.54 2 -7 -2 114.02 16.99 2 -7 -1 165.96 15.84 -2 -7 1 170.45 14.76 -2 -7 1 218.24 16.89 -2 -7 1 153.54 17.10 2 -7 -1 173.84 20.78 -2 -7 0 109.93 11.55 2 -7 0 126.00 13.35 -2 -7 0 149.23 13.69 -2 -7 0 132.50 13.18 2 -7 0 126.86 11.53 2 -7 0 116.49 16.86 -2 -7 0 103.47 14.72 2 -7 1 195.99 14.33 2 -7 1 183.29 15.93 -2 -7 -1 173.06 15.11 -2 -7 -1 204.69 16.24 -2 -7 -1 219.15 16.82 2 -7 1 191.05 14.64 -2 -7 -1 169.28 19.56 -2 -7 -1 178.31 17.15 2 -7 1 147.04 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-2 2 -4 71.51 7.05 -2 2 -4 62.44 3.62 2 2 5 1058.43 39.22 2 2 5 1132.99 39.98 2 2 5 1069.05 39.00 -2 2 -5 1013.06 35.92 -2 2 -5 1086.99 33.51 2 2 6 33.75 4.99 2 2 6 37.35 5.20 2 2 6 30.89 4.33 -2 2 -6 36.00 3.42 -2 2 -6 39.23 4.56 2 2 7 125.16 11.17 2 2 7 139.81 11.61 -2 2 -7 121.63 7.47 2 2 7 131.05 9.80 -2 2 -7 128.17 9.52 2 2 8 482.51 23.86 2 2 8 474.56 22.70 2 2 8 469.51 25.76 2 2 8 508.47 23.16 2 2 8 521.46 24.74 2 2 8 509.49 25.98 2 2 8 458.05 24.92 2 2 8 503.95 24.28 2 2 8 471.29 22.82 -2 2 -8 479.49 22.93 2 2 9 217.09 13.85 2 2 9 230.91 17.45 -2 2 -9 275.74 20.79 2 2 9 266.86 18.17 2 2 9 239.63 14.28 2 2 9 229.82 16.80 2 2 9 233.77 15.83 -2 2 -9 296.43 20.15 -2 2 -9 254.70 15.69 2 2 10 209.46 16.38 2 2 10 221.79 15.84 2 2 10 242.52 17.26 2 2 10 237.67 15.61 2 2 10 221.85 16.24 -2 2 -10 252.77 18.84 -2 2 -10 212.85 14.53 2 2 11 41.42 6.13 2 2 11 46.81 6.86 2 2 11 54.75 6.50 2 2 11 53.92 7.38 2 2 12 129.93 10.29 2 2 12 136.49 11.02 2 2 12 121.75 8.49 2 2 13 84.91 7.06 2 2 13 81.03 6.49 -2 3 14 0.48 0.64 -2 3 13 44.16 5.84 -2 3 13 47.16 5.16 -2 3 12 48.00 6.17 -2 3 12 52.63 7.75 -2 3 11 14.72 4.19 -2 3 11 5.57 2.32 -2 3 11 15.98 4.00 -2 3 11 19.27 4.43 -2 3 11 18.83 5.41 -2 3 10 75.34 8.73 -2 3 10 56.12 8.29 -2 3 10 91.06 9.45 -2 3 10 75.09 8.94 -2 3 10 71.95 10.55 2 3 -10 80.88 8.40 -2 3 9 489.78 21.52 -2 3 9 496.36 24.65 -2 3 9 416.51 25.24 -2 3 9 493.77 26.72 -2 3 9 470.66 23.60 -2 3 9 492.48 25.32 2 3 -9 477.04 30.26 -2 3 8 80.87 10.18 -2 3 8 69.77 6.82 -2 3 8 75.62 8.79 -2 3 8 63.39 8.54 -2 3 8 69.30 9.47 -2 3 8 76.20 8.35 2 3 -8 70.52 7.88 -2 3 7 358.32 22.45 -2 3 7 359.25 17.10 -2 3 7 363.67 22.60 -2 3 7 356.86 20.48 -2 3 7 374.35 20.68 -2 3 7 344.29 19.10 -2 3 7 359.21 19.18 2 3 -7 339.90 19.00 -2 3 6 416.88 23.02 -2 3 6 413.57 18.13 -2 3 6 403.31 19.29 -2 3 6 394.70 21.00 -2 3 6 416.79 21.26 -2 3 6 404.65 20.18 2 3 -6 402.06 20.40 -2 3 5 46.90 5.39 -2 3 5 49.55 6.91 -2 3 5 51.81 4.95 -2 3 5 56.72 6.07 2 3 -5 45.43 5.68 -2 3 4 93.40 8.67 -2 3 4 98.76 7.89 -2 3 3 454.10 20.06 -2 3 3 440.92 18.46 2 3 -3 419.28 14.00 -2 3 3 441.30 18.37 -2 3 3 452.34 20.89 -2 3 3 428.22 18.01 -2 3 3 450.41 15.63 -2 3 2 1469.55 48.40 2 3 -2 1365.32 43.42 -2 3 2 1407.22 48.17 2 3 -2 1470.96 48.35 -2 3 2 1506.66 47.05 -2 3 2 1563.92 50.66 -2 3 2 1419.87 46.32 -2 3 1 144.85 9.35 2 3 -1 119.48 8.47 -2 3 1 138.57 7.87 -2 3 1 118.73 9.14 -2 3 1 114.57 7.25 2 3 0 216.90 11.61 -2 3 0 182.53 11.45 2 3 0 205.94 11.05 -2 3 0 182.21 11.61 -2 3 0 193.01 9.82 2 3 1 214.64 12.33 -2 3 -1 226.45 9.68 -2 3 -1 216.49 13.09 2 3 1 231.74 11.94 -2 3 -1 226.26 11.02 2 3 2 78.73 6.89 -2 3 -2 68.03 5.74 -2 3 -2 69.56 3.67 2 3 2 73.29 6.05 2 3 3 232.61 13.69 2 3 3 261.46 14.44 2 3 3 262.37 14.36 2 3 3 244.62 12.90 -2 3 -3 256.06 10.25 -2 3 -3 266.74 13.26 2 3 4 230.01 14.47 2 3 4 211.90 13.61 2 3 4 243.95 14.74 -2 3 -4 236.48 15.44 -2 3 -4 245.88 10.72 2 3 5 131.24 10.83 2 3 5 124.67 10.38 2 3 5 146.79 11.40 2 3 5 143.87 9.61 -2 3 -5 124.04 11.35 -2 3 -5 124.94 7.84 2 3 6 185.10 13.72 2 3 6 187.65 13.72 2 3 6 191.10 13.87 2 3 6 185.63 13.42 2 3 6 213.53 14.03 2 3 6 202.22 14.10 -2 3 -6 189.94 14.96 -2 3 -6 180.25 10.60 2 3 6 175.18 11.53 2 3 7 49.52 6.98 2 3 7 58.11 7.81 2 3 7 48.62 6.79 2 3 7 54.37 7.46 2 3 7 41.05 6.39 -2 3 -7 54.53 8.18 -2 3 -7 61.20 6.13 2 3 7 55.34 6.14 2 3 8 32.37 5.45 2 3 8 29.09 5.79 2 3 8 27.97 5.69 2 3 8 33.62 6.21 2 3 8 22.00 4.95 2 3 8 29.48 5.25 -2 3 -8 30.96 4.57 2 3 8 27.15 4.37 -2 3 -8 28.66 6.13 2 3 9 117.24 11.19 2 3 9 121.40 10.61 2 3 9 144.10 13.22 2 3 9 140.74 11.17 2 3 9 137.47 12.59 2 3 9 129.85 12.46 2 3 9 133.16 12.09 2 3 9 123.46 10.56 -2 3 -9 126.43 9.86 2 3 10 116.12 11.70 2 3 10 130.40 11.86 2 3 10 116.68 11.33 2 3 10 118.94 11.43 2 3 11 127.83 10.93 -2 3 -11 115.28 10.40 2 3 12 109.85 9.08 2 3 12 101.08 8.40 2 3 13 73.20 5.86 2 3 13 67.38 5.30 -2 4 13 0.27 0.62 -2 4 13 3.21 1.08 -2 4 12 63.72 7.43 -2 4 12 66.16 6.13 -2 4 11 65.41 7.00 -2 4 11 56.14 6.50 -2 4 11 61.35 8.43 -2 4 11 38.61 6.04 -2 4 11 41.74 5.69 -2 4 10 29.85 5.22 -2 4 10 30.71 5.25 -2 4 10 20.62 5.63 -2 4 10 23.72 5.13 -2 4 9 55.61 7.57 -2 4 9 43.05 6.42 -2 4 9 42.06 6.34 -2 4 9 51.15 7.70 -2 4 9 57.63 7.87 -2 4 9 45.38 7.39 -2 4 8 323.45 22.28 2 4 -8 302.89 18.70 -2 4 8 332.43 19.61 -2 4 8 340.68 19.38 -2 4 8 345.83 20.91 -2 4 8 313.45 20.34 -2 4 8 307.30 21.88 -2 4 7 236.33 17.98 2 4 -7 211.80 15.33 -2 4 7 235.44 14.83 -2 4 7 227.63 14.90 -2 4 7 240.56 15.33 -2 4 7 213.71 15.21 -2 4 7 213.15 15.82 -2 4 7 242.55 16.98 -2 4 7 238.43 18.63 -2 4 6 90.98 7.07 -2 4 6 98.48 10.79 2 4 -6 103.08 10.05 -2 4 6 95.97 9.06 -2 4 6 114.64 9.32 -2 4 6 97.37 9.59 -2 4 6 112.53 10.82 -2 4 5 308.72 19.31 -2 4 5 310.20 14.51 2 4 -5 305.16 18.23 -2 4 5 291.42 16.83 -2 4 5 324.31 18.79 -2 4 5 324.46 18.00 -2 4 5 332.05 21.61 -2 4 5 307.35 17.59 -2 4 4 464.13 23.62 -2 4 4 473.45 22.27 -2 4 4 460.21 17.81 -2 4 3 385.89 20.02 -2 4 3 439.43 20.03 -2 4 3 415.48 17.35 -2 4 2 317.18 16.65 -2 4 2 335.98 17.63 2 4 -2 302.23 13.17 2 4 -2 359.43 18.18 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269.52 18.39 2 4 5 261.51 15.02 2 4 6 198.92 15.25 2 4 6 192.82 15.12 2 4 6 198.00 15.22 2 4 6 199.00 15.23 2 4 6 198.86 13.86 2 4 6 179.95 14.77 -2 4 -6 176.29 15.20 -2 4 -6 201.53 13.87 2 4 6 182.73 12.33 2 4 7 109.64 11.35 2 4 7 104.70 10.92 2 4 7 111.30 11.53 2 4 7 108.78 10.55 2 4 7 104.57 11.03 2 4 7 99.87 10.60 -2 4 -7 108.35 10.30 2 4 7 109.40 8.97 2 4 8 234.39 17.19 2 4 8 241.18 17.60 2 4 8 268.59 17.68 2 4 8 260.22 18.03 2 4 8 242.33 16.90 2 4 8 211.28 15.84 2 4 8 247.81 17.61 2 4 8 233.45 16.61 -2 4 -8 275.22 17.19 2 4 9 149.62 13.49 2 4 9 154.99 13.66 2 4 9 187.15 13.43 2 4 9 158.34 13.37 -2 4 -9 163.62 12.80 2 4 10 70.42 8.21 2 4 10 68.55 8.37 2 4 11 140.11 10.44 2 4 11 137.29 10.69 2 4 12 6.05 1.79 2 4 12 4.81 1.77 -2 5 12 16.04 2.81 -2 5 11 11.22 3.29 -2 5 11 8.84 1.95 -2 5 10 7.75 2.23 -2 5 10 6.82 3.59 -2 5 10 9.50 3.13 -2 5 10 10.35 3.03 -2 5 9 66.47 7.14 -2 5 9 69.32 6.96 -2 5 9 44.41 7.08 -2 5 9 64.62 8.26 -2 5 8 85.25 9.24 -2 5 8 69.80 7.21 -2 5 8 70.19 7.51 -2 5 8 65.21 8.51 -2 5 8 79.29 9.39 -2 5 8 67.51 9.70 2 5 -7 400.07 22.91 -2 5 7 445.07 22.40 -2 5 7 416.38 22.19 -2 5 7 388.68 22.65 -2 5 7 402.35 20.43 -2 5 7 423.09 24.35 -2 5 7 416.68 26.81 2 5 -6 54.27 7.71 -2 5 6 37.43 6.26 -2 5 6 52.57 6.01 -2 5 6 67.07 8.37 -2 5 6 64.70 9.81 -2 5 6 53.24 7.22 -2 5 6 42.27 6.92 -2 5 5 12.32 3.59 2 5 -5 11.87 3.83 -2 5 5 15.49 4.28 -2 5 5 13.24 3.74 -2 5 5 14.69 3.67 -2 5 5 17.54 4.61 -2 5 5 19.48 5.65 -2 5 4 19.42 4.61 2 5 -4 28.04 5.44 -2 5 4 21.02 4.24 -2 5 4 20.38 4.78 -2 5 4 18.92 4.13 -2 5 3 13.94 3.64 -2 5 3 17.16 3.78 -2 5 3 14.37 2.89 -2 5 2 508.21 23.87 -2 5 2 492.72 22.87 -2 5 2 468.81 24.66 2 5 -2 451.30 18.76 2 5 -2 474.58 24.77 -2 5 1 139.52 12.56 -2 5 1 130.22 9.48 2 5 -1 131.32 9.09 2 5 -1 134.37 11.71 2 5 -1 130.30 8.78 -2 5 1 129.51 9.58 -2 5 1 143.22 11.71 2 5 -1 144.31 11.54 -2 5 0 27.37 5.71 2 5 0 27.66 4.28 2 5 0 36.28 5.92 -2 5 0 28.42 3.99 2 5 0 31.00 4.42 2 5 0 31.78 5.28 -2 5 0 27.62 4.88 -2 5 -1 233.12 17.40 2 5 1 234.95 14.45 2 5 1 215.86 15.34 2 5 1 224.90 14.37 2 5 1 229.45 14.24 -2 5 -1 216.81 14.57 2 5 1 213.43 14.21 2 5 2 103.79 9.61 2 5 2 97.02 10.15 2 5 2 81.81 8.66 2 5 2 100.05 10.12 -2 5 -2 88.32 10.72 2 5 2 83.33 8.32 -2 5 -2 74.88 8.14 -2 5 -3 94.09 11.65 2 5 3 100.99 10.00 2 5 3 103.56 10.56 2 5 3 103.03 10.92 2 5 3 97.07 9.83 -2 5 -3 80.75 8.55 -2 5 -4 238.32 19.52 2 5 4 198.32 15.22 2 5 4 185.38 14.99 2 5 4 234.69 16.98 2 5 4 223.65 15.75 2 5 4 205.21 14.09 2 5 4 218.80 16.06 2 5 4 196.67 13.54 2 5 5 58.05 8.26 2 5 5 60.99 8.29 -2 5 -5 49.83 9.16 2 5 5 47.54 7.36 2 5 5 65.81 7.90 2 5 5 65.82 8.94 2 5 5 64.94 8.73 2 5 5 62.18 6.95 2 5 6 190.89 15.95 2 5 6 185.53 15.63 2 5 6 215.41 16.30 2 5 6 243.19 17.33 2 5 6 208.69 16.44 2 5 6 181.15 14.59 2 5 6 203.36 16.18 2 5 6 201.07 15.98 2 5 6 173.74 12.14 -2 5 -6 213.85 19.73 2 5 7 214.67 16.49 2 5 7 196.62 16.18 2 5 7 204.77 15.57 2 5 7 221.34 16.56 2 5 7 217.67 16.45 -2 5 -7 219.93 19.99 2 5 8 9.82 3.58 2 5 8 14.01 4.02 2 5 8 6.25 2.60 2 5 9 99.01 10.07 2 5 9 108.42 9.81 2 5 10 134.60 10.76 2 5 11 6.27 1.99 -2 6 11 0.74 0.89 -2 6 10 37.50 4.93 -2 6 10 44.36 5.87 -2 6 9 30.85 5.06 -2 6 8 62.18 7.88 -2 6 8 49.65 7.75 2 6 -8 46.52 6.16 -2 6 7 27.01 4.86 -2 6 7 27.25 5.03 -2 6 7 27.23 5.46 2 6 -6 79.65 9.37 -2 6 6 95.83 9.78 -2 6 6 72.48 8.96 -2 6 6 81.75 8.75 -2 6 6 86.16 10.10 -2 6 6 93.37 12.08 2 6 -5 169.64 14.51 -2 6 5 184.92 14.43 -2 6 5 180.97 14.14 -2 6 5 155.01 12.33 -2 6 5 209.46 18.95 -2 6 5 200.79 15.55 -2 6 4 32.81 5.08 -2 6 4 30.22 5.74 -2 6 4 27.07 5.52 2 6 -4 28.34 5.79 -2 6 3 131.91 11.84 -2 6 3 123.84 10.90 2 6 -3 120.41 11.86 -2 6 3 116.61 9.03 2 6 -2 127.48 12.24 -2 6 2 101.66 11.19 -2 6 2 104.93 10.13 2 6 -2 97.84 9.54 -2 6 2 90.50 8.91 -2 6 2 104.51 9.26 2 6 -2 125.63 11.68 2 6 -1 50.00 7.59 -2 6 1 36.55 6.85 2 6 -1 26.58 4.13 2 6 -1 42.00 6.49 -2 6 1 46.96 6.21 -2 6 1 36.27 5.10 2 6 -1 42.19 5.47 2 6 -1 49.09 7.05 2 6 0 48.99 7.73 2 6 0 51.51 6.29 -2 6 0 44.40 7.71 2 6 0 51.49 6.45 2 6 0 61.12 8.19 2 6 0 55.16 6.85 2 6 0 54.58 7.44 2 6 1 218.71 14.82 2 6 1 206.26 16.62 -2 6 -1 219.01 18.52 2 6 1 251.74 15.72 2 6 1 229.50 14.83 2 6 1 231.25 15.85 2 6 2 53.80 7.30 -2 6 -2 64.50 9.92 2 6 2 50.13 7.77 2 6 2 61.60 7.73 2 6 2 71.10 9.19 2 6 2 54.29 7.23 2 6 2 71.26 8.16 2 6 3 63.63 8.86 -2 6 -3 78.65 11.30 2 6 3 65.14 8.27 2 6 3 74.43 9.53 2 6 3 60.26 8.32 2 6 3 64.68 8.36 2 6 3 56.57 7.27 2 6 4 242.92 17.46 -2 6 -4 260.77 21.65 2 6 4 244.46 18.02 2 6 4 245.82 18.58 2 6 4 232.93 17.59 2 6 4 243.13 15.52 -2 6 -5 21.46 6.31 2 6 5 24.45 5.40 2 6 5 27.17 5.71 2 6 5 25.63 5.31 2 6 5 34.15 6.75 2 6 5 28.13 4.78 2 6 5 19.77 5.05 2 6 5 32.26 4.97 2 6 6 76.21 9.35 2 6 6 72.36 7.90 2 6 6 87.67 10.20 2 6 6 80.41 7.39 2 6 6 82.79 10.02 2 6 7 178.72 14.24 2 6 7 187.76 14.55 2 6 7 162.93 10.98 2 6 8 118.93 10.45 2 6 8 114.43 10.45 2 6 8 106.79 8.16 2 6 9 28.84 4.29 2 6 9 18.90 3.88 2 6 9 22.12 3.07 2 6 10 46.44 5.02 -2 7 9 7.67 2.24 -2 7 8 112.60 9.19 -2 7 7 246.03 13.69 -2 7 7 357.33 18.49 -2 7 6 14.07 4.95 -2 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25.84 4 4 5 429.53 24.50 4 4 5 483.19 26.02 4 4 5 472.09 23.82 4 4 5 487.92 26.80 -4 4 -5 483.83 29.96 -4 4 -5 483.48 25.23 4 4 6 112.43 11.49 4 4 6 113.42 11.34 4 4 6 111.87 11.45 4 4 6 103.20 10.45 4 4 6 107.32 11.60 -4 4 -6 102.87 13.11 4 4 6 100.23 9.78 -4 4 -6 104.63 10.76 4 4 7 40.06 6.80 4 4 7 36.50 6.22 4 4 7 23.37 5.36 4 4 7 28.18 5.91 4 4 7 34.67 6.14 4 4 7 40.74 6.40 4 4 7 30.87 6.12 -4 4 -7 26.61 6.67 4 4 7 33.28 5.49 -4 4 -7 28.39 5.69 4 4 8 33.50 5.51 4 4 8 44.78 6.98 4 4 8 34.61 6.53 4 4 8 42.35 6.51 4 4 8 43.94 6.72 4 4 8 36.77 5.49 -4 4 -8 37.88 6.28 4 4 9 140.99 12.03 4 4 9 132.17 12.11 4 4 9 140.57 11.67 -4 4 -9 148.45 11.99 4 4 10 1.01 1.42 4 4 10 2.29 1.85 4 4 10 1.06 1.48 4 4 11 67.41 5.80 4 4 11 83.25 6.81 4 4 12 24.79 2.56 4 4 12 17.70 2.43 -4 5 12 35.67 4.31 -4 5 11 22.13 4.46 -4 5 10 218.57 14.73 -4 5 10 249.26 17.55 -4 5 9 153.83 12.92 -4 5 9 147.13 14.09 -4 5 8 31.09 5.67 -4 5 8 39.72 6.80 -4 5 8 45.14 6.10 -4 5 8 41.05 7.41 4 5 -8 44.39 5.44 -4 5 7 241.86 17.54 -4 5 7 194.75 14.87 -4 5 7 241.05 20.23 -4 5 7 246.56 19.11 -4 5 7 252.26 16.63 4 5 -7 231.01 14.76 -4 5 6 55.76 8.19 -4 5 6 48.86 6.68 -4 5 6 62.44 10.00 -4 5 6 46.51 5.55 4 5 -6 48.38 6.62 -4 5 5 302.40 17.54 -4 5 5 340.28 20.45 -4 5 5 330.81 24.22 -4 5 5 303.76 16.35 -4 5 5 311.11 17.33 4 5 -5 308.86 17.38 -4 5 4 152.21 15.60 -4 5 4 145.59 13.56 -4 5 4 129.43 10.81 4 5 -4 123.58 10.56 4 5 -4 133.07 11.55 -4 5 3 175.96 13.04 -4 5 3 181.43 16.71 -4 5 3 168.04 13.92 4 5 -3 151.98 11.95 -4 5 3 143.52 12.09 4 5 -3 139.15 11.87 -4 5 3 137.94 10.80 4 5 -2 229.82 15.30 -4 5 2 215.98 15.70 -4 5 2 256.18 16.93 -4 5 2 234.33 14.95 -4 5 2 244.63 19.43 4 5 -2 232.70 13.16 4 5 -2 226.98 15.44 -4 5 2 241.39 14.39 -4 5 1 258.19 16.25 4 5 -1 233.13 12.78 4 5 -1 250.40 16.32 -4 5 1 254.99 14.74 4 5 -1 271.01 15.49 -4 5 1 259.21 19.31 4 5 -1 257.45 16.39 -4 5 1 237.01 14.29 -4 5 0 177.11 12.42 4 5 0 174.75 11.64 4 5 0 185.21 14.02 -4 5 0 230.14 17.62 4 5 0 213.93 14.30 -4 5 0 189.68 16.28 4 5 0 174.51 13.42 -4 5 0 179.03 12.11 4 5 1 24.93 4.46 -4 5 -1 22.53 5.62 4 5 1 21.04 4.71 -4 5 -1 20.95 5.12 4 5 1 25.10 4.96 -4 5 -1 17.95 3.86 4 5 1 18.93 4.32 -4 5 -1 19.68 5.30 4 5 2 428.22 23.74 4 5 2 401.54 21.37 -4 5 -2 427.57 27.44 4 5 2 381.73 21.23 4 5 2 412.70 23.72 -4 5 -2 462.36 27.48 4 5 2 449.88 23.12 -4 5 -2 421.31 21.49 4 5 3 340.22 21.03 4 5 3 309.30 19.16 -4 5 -3 380.74 26.37 4 5 3 351.10 21.07 4 5 3 326.28 19.31 4 5 3 341.12 22.46 4 5 3 326.88 21.34 4 5 3 327.92 19.58 -4 5 -3 358.36 24.21 -4 5 -3 316.22 18.71 4 5 4 29.64 5.65 -4 5 -4 48.10 9.68 4 5 4 37.75 6.90 4 5 4 34.64 6.81 4 5 4 40.30 6.50 4 5 4 38.20 6.82 4 5 4 32.80 6.49 -4 5 -4 27.90 5.23 4 5 4 34.13 5.66 -4 5 -4 49.24 8.63 4 5 5 17.61 4.60 -4 5 -5 29.49 7.55 4 5 5 22.66 5.39 4 5 5 16.97 4.90 4 5 5 20.69 4.90 4 5 5 19.99 4.80 4 5 5 24.01 5.80 4 5 5 17.45 4.32 4 5 6 101.32 10.72 4 5 6 100.26 10.81 4 5 6 80.69 9.48 4 5 6 75.91 9.72 4 5 6 82.88 8.14 4 5 6 80.03 10.25 -4 5 -6 80.27 12.89 4 5 6 75.78 8.27 4 5 7 91.57 9.90 4 5 7 75.12 9.33 4 5 7 70.48 7.55 4 5 8 25.52 4.71 4 5 8 31.61 5.62 4 5 8 28.31 5.24 4 5 9 12.55 3.33 4 5 9 12.95 3.35 4 5 10 65.28 6.25 4 5 11 12.57 1.71 4 5 11 15.60 2.19 -4 6 11 62.19 5.25 -4 6 10 16.78 3.20 -4 6 10 20.71 4.15 -4 6 9 40.92 5.85 -4 6 9 53.75 7.01 -4 6 8 57.85 7.35 -4 6 8 45.21 7.93 -4 6 7 22.76 6.14 -4 6 7 19.96 4.50 -4 6 7 20.29 4.31 4 6 -7 21.07 3.95 -4 6 6 4.31 3.71 -4 6 6 3.58 2.33 -4 6 6 8.17 3.25 4 6 -6 2.95 2.03 -4 6 5 49.26 9.26 -4 6 5 39.02 6.53 -4 6 5 43.14 7.16 -4 6 5 58.57 8.25 -4 6 4 62.39 10.47 -4 6 4 70.28 8.50 -4 6 4 58.94 8.24 4 6 -4 61.95 7.48 -4 6 4 58.42 7.45 4 6 -4 65.64 8.15 4 6 -3 719.30 30.59 -4 6 3 678.82 31.05 -4 6 3 717.35 32.64 -4 6 3 664.94 32.01 4 6 -3 632.04 30.82 4 6 -3 673.38 31.78 -4 6 2 351.17 19.30 4 6 -2 374.71 20.49 -4 6 2 325.80 21.16 4 6 -2 320.18 20.22 4 6 -2 366.99 21.16 4 6 -1 249.57 16.71 4 6 -1 215.76 16.11 -4 6 1 265.40 18.99 4 6 -1 215.40 16.07 4 6 0 3.23 1.50 4 6 0 5.93 2.82 -4 6 0 7.01 3.98 4 6 0 4.28 2.59 4 6 0 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71.89 9.70 -4 7 6 80.07 8.20 -4 7 6 76.50 8.16 -4 7 5 3.79 3.08 -4 7 5 1.12 1.71 -4 7 5 4.55 2.47 -4 7 4 9.08 4.34 -4 7 4 12.06 3.22 -4 7 4 15.83 4.53 4 7 -4 12.72 3.42 -4 7 3 34.90 5.20 -4 7 3 49.59 8.85 4 7 -3 41.41 5.63 -4 7 3 32.71 6.19 4 7 -3 34.71 5.76 -4 7 2 79.74 7.56 4 7 -2 91.67 9.57 4 7 -2 95.54 9.72 4 7 -1 15.53 4.34 4 7 -1 17.44 3.70 -4 7 1 4.96 3.79 4 7 -1 11.38 3.45 4 7 0 15.20 4.41 4 7 0 13.05 3.68 -4 7 0 10.17 4.12 -4 7 0 9.98 3.17 4 7 0 11.29 3.74 4 7 1 211.16 14.91 4 7 1 222.56 17.06 -4 7 -1 228.70 17.29 4 7 1 198.73 14.62 4 7 2 126.75 11.34 -4 7 -2 123.91 11.49 4 7 2 149.75 13.85 -4 7 -2 117.81 10.50 4 7 2 109.58 10.36 4 7 3 51.89 7.36 4 7 3 62.48 8.52 -4 7 -3 55.32 6.38 4 7 3 58.14 6.99 4 7 4 63.42 8.28 4 7 4 56.98 6.43 4 7 5 27.76 5.37 4 7 5 17.85 4.06 4 7 6 497.79 23.42 4 7 6 543.27 24.51 4 7 7 98.26 7.83 4 7 7 102.46 8.02 4 7 8 39.04 3.58 4 7 8 39.81 3.94 -4 8 7 39.24 4.29 -4 8 6 45.93 5.99 -4 8 5 2.44 2.22 -4 8 5 4.02 1.39 -4 8 4 22.86 4.27 -4 8 4 17.26 4.51 -4 8 4 15.57 2.39 -4 8 3 224.79 14.34 -4 8 3 210.45 15.89 -4 8 2 135.10 10.88 -4 8 2 124.59 11.99 -4 8 1 14.25 3.80 4 8 -1 17.69 3.28 -4 8 0 31.76 4.95 -4 8 0 26.31 5.25 4 8 0 34.30 5.06 -4 8 -1 4.04 1.93 4 8 1 3.71 2.02 -4 8 -1 0.51 1.86 -4 8 -2 27.19 3.80 4 8 2 12.96 2.55 4 8 3 207.79 13.61 4 8 3 194.16 12.78 4 8 3 173.75 9.98 4 8 4 86.37 7.70 4 8 4 76.37 5.88 4 8 5 93.86 6.06 4 8 5 147.05 8.89 4 8 6 77.07 5.33 -4 9 3 45.34 3.81 -4 9 2 157.56 8.38 -4 9 1 35.81 3.51 4 9 -1 34.18 4.65 4 9 0 43.76 5.05 4 9 1 7.63 2.03 5 -8 -5 6.66 2.95 -5 -8 4 151.24 9.79 5 -8 -4 130.34 12.34 -5 -8 3 182.63 11.93 5 -8 -3 145.32 14.00 5 -8 -2 165.28 11.57 -5 -8 2 167.96 12.53 5 -8 -2 174.85 15.48 -5 -8 1 3.39 2.15 5 -8 -1 1.83 2.57 -5 -8 0 2.80 1.93 5 -8 0 2.69 2.52 -5 -8 -1 10.74 3.07 5 -8 1 15.35 4.70 -5 -8 -2 12.05 2.88 5 -8 2 10.91 4.01 -5 -8 -3 75.08 5.54 5 -7 -9 104.82 5.92 -5 -7 8 188.65 9.52 5 -7 -8 199.62 10.49 -5 -7 7 12.31 2.61 5 -7 -7 9.27 3.77 5 -7 -7 14.05 3.00 -5 -7 6 99.88 7.95 -5 -7 6 108.08 8.41 5 -7 -6 103.85 8.60 5 -7 -5 39.78 7.14 -5 -7 5 44.73 6.54 -5 -7 5 40.43 5.13 5 -7 -5 42.99 8.61 5 -7 -4 99.70 11.76 -5 -7 4 114.93 11.02 -5 -7 4 117.69 11.51 -5 -7 4 96.84 8.16 5 -7 -4 93.00 13.30 5 -7 -4 105.48 8.95 5 -7 -3 3.89 2.50 -5 -7 3 2.08 1.43 -5 -7 3 2.40 2.25 -5 -7 3 -0.81 2.46 5 -7 -3 1.35 2.68 5 -7 -3 0.92 1.17 -5 -7 2 6.68 2.97 5 -7 -2 4.92 3.39 -5 -7 2 5.91 3.21 5 -7 -2 2.78 3.57 -5 -7 1 16.91 4.45 5 -7 -1 21.92 5.70 -5 -7 1 24.41 5.57 5 -7 -1 15.47 6.67 -5 -7 1 13.53 4.31 -5 -7 0 2.15 2.18 -5 -7 0 0.95 1.54 -5 -7 -1 9.95 3.38 5 -7 1 14.73 4.45 -5 -7 -1 7.12 3.18 -5 -7 -1 11.52 4.34 5 -7 2 22.54 6.06 -5 -7 -2 23.96 4.88 5 -7 2 27.72 4.99 5 -7 2 19.35 6.13 -5 -7 -2 18.70 5.95 5 -7 3 47.21 8.44 -5 -7 -3 45.69 6.65 5 -7 3 54.43 7.40 5 -7 3 53.79 9.79 -5 -7 -3 51.40 9.40 5 -7 4 174.49 13.19 -5 -7 -4 176.43 12.25 -5 -7 -4 186.01 17.01 5 -7 5 38.91 5.63 -5 -7 -5 47.93 8.03 5 -7 6 83.40 7.24 -5 -7 -6 70.04 8.61 5 -7 7 61.62 5.30 -5 -6 10 13.79 2.58 5 -6 -10 15.45 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24.44 7.35 5 -5 6 34.33 6.46 -5 -5 -6 23.26 4.86 5 -5 7 38.70 7.90 -5 -5 -7 36.23 7.99 -5 -5 -7 31.70 8.71 5 -5 7 36.51 6.40 -5 -5 -7 36.93 5.79 -5 -5 -8 12.32 4.30 5 -5 8 13.22 3.63 -5 -5 -8 18.43 3.83 -5 -5 -9 1.45 1.75 5 -5 9 9.52 2.93 5 -5 10 18.29 3.13 5 -4 -12 17.84 2.69 -5 -4 12 16.82 2.83 5 -4 -11 118.33 9.36 -5 -4 11 138.04 13.22 -5 -4 11 148.54 10.74 5 -4 -10 139.64 13.66 5 -4 -10 142.99 11.67 -5 -4 10 119.86 13.75 -5 -4 10 153.42 11.78 -5 -4 10 161.03 12.63 5 -4 -9 30.32 7.36 -5 -4 9 23.18 5.26 -5 -4 9 23.81 4.98 5 -4 -8 369.99 28.32 5 -4 -8 288.98 24.02 -5 -4 8 402.51 24.19 -5 -4 8 401.14 23.72 -5 -4 8 377.25 22.36 -5 -4 8 387.32 20.99 5 -4 -8 402.48 30.67 5 -4 -8 381.83 22.27 5 -4 -7 339.30 27.21 5 -4 -7 277.34 23.12 -5 -4 7 290.07 21.15 -5 -4 7 288.45 19.88 -5 -4 7 282.54 22.81 -5 -4 7 309.24 19.81 -5 -4 7 268.99 18.70 5 -4 -7 298.45 26.92 5 -4 -7 311.26 18.99 -5 -4 6 629.11 27.80 5 -4 -6 619.77 39.08 5 -4 -6 550.20 34.56 -5 -4 6 630.39 34.05 -5 -4 6 586.99 30.92 -5 -4 6 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191.24 13.89 -8 2 -4 186.18 18.84 8 2 4 181.94 15.05 -8 2 -4 193.62 14.15 -8 2 -4 181.32 16.29 8 2 5 413.38 23.63 8 2 5 410.27 23.89 8 2 5 443.09 22.33 8 2 5 430.11 24.53 8 2 5 435.46 21.08 8 2 5 443.19 23.03 -8 2 -5 370.38 28.05 -8 2 -5 411.31 22.29 8 2 5 397.39 24.29 -8 2 -5 405.08 25.54 8 2 6 244.61 16.99 8 2 6 228.16 17.06 8 2 6 278.10 16.14 8 2 6 261.86 18.25 -8 2 -6 255.93 19.30 8 2 6 293.73 17.78 8 2 6 242.67 17.30 -8 2 -6 233.01 21.13 8 2 6 259.09 18.51 -8 2 -6 265.67 19.55 -8 2 -7 -0.66 2.14 8 2 7 1.40 1.79 8 2 7 1.23 1.73 8 2 7 1.76 1.90 -8 2 -7 0.83 2.13 8 2 8 154.27 12.12 8 2 8 171.04 12.52 8 2 8 153.07 10.92 -8 2 -8 143.59 12.72 8 2 9 102.04 8.43 8 2 9 85.68 6.49 8 2 9 100.04 8.26 8 2 10 22.92 3.22 -8 3 12 7.92 1.80 -8 3 11 195.20 13.48 -8 3 11 179.73 12.01 -8 3 10 4.27 2.94 -8 3 10 2.51 2.16 -8 3 9 17.52 4.94 -8 3 9 8.35 4.17 -8 3 9 16.09 4.38 8 3 -9 21.86 5.16 -8 3 8 61.74 9.68 -8 3 8 74.16 8.53 -8 3 8 75.24 8.74 -8 3 8 58.07 9.98 -8 3 8 69.02 9.07 8 3 -8 74.22 9.87 -8 3 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6.44 11 4 4 118.10 8.34 -11 4 -4 125.11 8.56 11 4 5 126.95 7.59 -11 5 6 4.48 1.73 11 5 -6 6.86 1.59 -11 5 5 55.44 5.94 -11 5 5 75.25 6.75 11 5 -5 72.26 5.80 -11 5 4 85.02 7.17 -11 5 4 104.79 8.55 11 5 -4 102.76 7.58 -11 5 3 5.09 2.38 11 5 -3 4.46 1.32 11 5 -3 6.17 2.03 -11 5 2 23.89 4.12 11 5 -2 21.72 2.98 11 5 -2 21.71 3.62 -11 5 1 174.38 11.01 11 5 -1 188.43 11.37 11 5 -1 175.61 9.90 -11 5 0 14.81 2.80 11 5 0 15.05 2.65 11 5 0 17.26 3.17 11 5 1 243.33 12.76 11 5 1 227.34 11.71 11 5 1 257.34 13.23 11 5 2 1.17 1.12 11 5 3 77.68 5.24 -11 6 3 13.81 2.18 11 6 -3 20.64 2.26 11 6 -3 18.74 2.31 11 6 -2 162.19 7.98 11 6 -2 165.51 8.43 11 6 -1 12.16 2.06 11 6 -1 12.64 2.02 11 6 0 31.10 3.03 11 6 0 32.32 3.17 12 -5 -4 27.69 2.67 -12 -5 4 19.16 2.40 -12 -5 4 25.09 2.95 12 -5 -3 14.10 2.12 -12 -5 3 14.77 2.25 -12 -5 3 13.96 2.40 12 -5 -2 21.59 2.64 -12 -5 2 21.54 2.64 -12 -5 2 16.37 2.64 12 -5 -1 30.74 3.17 12 -5 0 3.83 1.09 -12 -4 6 42.44 4.17 -12 -4 6 36.97 3.96 -12 -4 6 46.57 5.01 12 -4 -5 30.69 3.47 -12 -4 5 36.61 4.36 -12 -4 5 33.10 4.47 -12 -4 5 34.86 4.75 12 -4 -4 14.52 2.62 -12 -4 4 18.77 3.67 -12 -4 4 18.24 3.34 12 -4 -3 36.53 4.41 -12 -4 3 36.87 4.95 -12 -4 3 35.85 4.89 12 -4 -2 38.15 4.60 -12 -4 2 38.18 5.12 12 -4 -1 9.43 2.34 -12 -4 1 8.12 2.51 12 -4 0 85.81 7.01 -12 -4 0 80.32 7.09 12 -4 1 75.22 6.24 -12 -4 -1 65.96 5.93 -12 -4 -1 60.03 5.07 -12 -4 -2 50.19 5.93 -12 -4 -3 148.44 9.84 12 -4 3 144.72 7.87 -12 -3 8 27.99 3.56 -12 -3 7 155.44 10.74 12 -3 -6 6.31 1.59 -12 -3 6 7.56 2.42 -12 -3 5 57.46 7.26 -12 -3 5 67.61 7.02 12 -3 -4 39.54 4.85 -12 -3 4 42.13 6.26 -12 -3 4 37.21 5.52 12 -3 -3 18.04 3.50 -12 -3 3 29.78 5.11 12 -3 -2 25.33 4.22 -12 -3 2 26.51 5.00 -12 -3 2 27.14 4.83 12 -3 -1 208.51 12.44 -12 -3 1 185.78 11.60 12 -3 0 40.70 5.44 12 -3 1 185.01 12.11 -12 -3 -1 177.92 14.37 -12 -3 -2 19.54 4.56 12 -3 2 21.97 3.87 -12 -3 -3 3.13 2.16 -12 -3 -4 10.13 2.90 12 -3 4 10.56 2.17 -12 -3 -5 0.61 0.78 12 -3 5 0.53 0.53 -12 -2 8 144.66 10.07 -12 -2 7 10.69 3.30 12 -2 -6 24.19 3.02 -12 -2 6 29.50 5.42 12 -2 -5 12.77 2.65 -12 -2 5 19.94 4.71 -12 -2 5 16.33 3.63 -12 -2 4 28.14 5.26 12 -2 -4 29.95 4.32 -12 -2 4 32.34 5.95 -12 -2 4 23.70 4.65 12 -2 -4 17.38 5.13 -12 -2 3 34.05 5.87 12 -2 -3 34.41 7.31 -12 -2 2 49.82 7.05 12 -2 -2 49.24 6.10 -12 -2 2 59.36 7.76 12 -2 -2 48.92 8.55 -12 -2 1 16.22 4.03 -12 -2 1 10.20 4.04 12 -2 -1 18.32 3.86 -12 -2 1 15.42 3.75 12 -2 -1 11.95 4.29 -12 -2 0 8.33 3.83 12 -2 0 9.63 2.95 12 -2 1 51.16 6.53 -12 -2 -1 63.36 8.96 -12 -2 -2 44.38 7.33 12 -2 2 38.97 5.63 -12 -2 -3 47.74 7.44 -12 -2 -4 14.87 3.95 12 -2 4 16.37 2.95 -12 -2 -5 80.89 7.81 12 -2 5 89.05 6.28 12 -2 5 79.08 5.88 -12 -1 9 71.73 5.88 -12 -1 8 44.43 5.80 -12 -1 8 48.62 6.63 -12 -1 7 0.72 2.02 -12 -1 7 0.45 1.54 -12 -1 6 -0.79 2.22 -12 -1 5 119.22 11.39 12 -1 -5 109.87 7.43 -12 -1 5 129.69 12.59 -12 -1 5 114.29 9.51 12 -1 -5 129.57 13.59 -12 -1 4 109.13 11.14 12 -1 -4 112.19 8.35 -12 -1 4 128.77 12.36 12 -1 -4 126.86 13.91 12 -1 -3 28.21 4.33 -12 -1 3 27.16 5.31 12 -1 -3 27.35 6.54 12 -1 -2 56.69 6.52 12 -1 -2 62.24 6.72 -12 -1 2 65.44 8.72 -12 -1 2 71.55 8.62 12 -1 -2 57.07 9.47 12 -1 -1 289.90 15.33 12 -1 -1 275.82 21.23 12 -1 0 6.02 2.87 -12 -1 0 3.77 2.40 -12 -1 0 4.36 3.01 12 -1 0 4.92 2.27 12 -1 0 10.26 2.55 -12 -1 0 5.52 2.24 12 -1 0 8.59 3.63 -12 -1 -1 29.81 5.05 12 -1 1 43.18 6.98 -12 -1 -1 37.95 6.94 12 -1 1 38.31 5.68 12 -1 2 57.59 8.09 -12 -1 -2 61.26 9.00 12 -1 3 82.19 7.12 -12 -1 -3 99.79 10.95 -12 -1 -4 5.61 2.79 -12 -1 -5 176.02 12.53 12 -1 6 35.71 3.63 -12 0 9 2.85 1.50 -12 0 9 4.18 1.92 -12 0 8 4.86 2.61 -12 0 7 12.04 3.82 -12 0 6 2.36 2.99 -12 0 5 250.97 18.78 -12 0 5 277.36 18.86 12 0 -5 236.08 19.23 -12 0 4 22.61 5.08 -12 0 4 23.08 5.84 -12 0 4 27.70 5.62 -12 0 4 20.85 4.52 12 0 -4 30.64 6.76 -12 0 3 23.67 5.88 -12 0 3 18.30 4.44 12 0 -3 22.72 3.56 12 0 -3 24.85 4.56 -12 0 3 26.42 5.33 -12 0 3 21.77 4.71 12 0 -3 29.37 6.84 12 0 -2 26.99 4.25 12 0 -2 27.24 4.81 12 0 -2 21.93 4.48 -12 0 2 25.14 5.26 -12 0 2 22.66 5.97 -12 0 2 32.41 5.74 12 0 -2 27.01 6.57 -12 0 1 33.03 6.34 12 0 -1 32.33 5.09 12 0 -1 23.99 4.28 12 0 -1 30.38 5.49 -12 0 1 30.20 5.51 -12 0 1 40.23 7.46 -12 0 1 29.88 5.57 -12 0 0 3.44 2.80 12 0 0 10.33 3.49 -12 0 0 7.88 2.96 -12 0 0 7.66 3.24 -12 0 0 7.35 2.87 12 0 0 9.14 3.63 -12 0 -1 28.62 6.28 -12 0 -1 40.52 6.20 12 0 2 24.58 5.32 12 0 2 29.47 3.93 -12 0 -2 27.91 6.11 12 0 2 27.51 4.27 12 0 3 3.97 1.52 -12 0 -3 6.33 3.51 12 0 4 70.84 5.59 -12 0 -4 53.80 7.51 12 0 5 89.36 5.75 -12 0 -5 93.74 8.83 12 0 6 28.88 3.34 -12 1 9 64.30 6.46 -12 1 8 48.46 6.40 -12 1 7 3.65 2.42 -12 1 7 5.79 2.86 -12 1 6 0.73 2.21 -12 1 5 117.79 11.87 -12 1 5 103.74 10.65 12 1 -5 106.29 12.18 -12 1 4 108.51 11.75 -12 1 4 105.09 8.79 12 1 -4 103.89 9.27 -12 1 4 98.58 10.13 12 1 -4 112.79 12.80 -12 1 3 20.08 3.71 -12 1 3 26.23 5.98 12 1 -3 37.83 5.54 -12 1 3 32.38 5.24 12 1 -3 33.61 7.12 12 1 -2 63.91 7.27 -12 1 2 68.72 9.33 12 1 -2 51.65 6.68 -12 1 2 57.86 6.15 -12 1 2 47.30 7.31 12 1 -1 256.53 15.70 12 1 -1 226.54 15.74 12 1 -1 243.50 18.93 -12 1 1 232.85 17.01 12 1 0 8.31 2.78 12 1 0 7.65 3.10 -12 1 0 10.84 3.98 -12 1 0 5.84 3.25 12 1 0 6.50 3.24 12 1 1 47.35 6.16 -12 1 -1 53.63 7.14 -12 1 -1 31.63 5.93 12 1 2 65.06 8.20 12 1 2 53.84 6.44 -12 1 -2 74.93 9.34 12 1 3 87.25 7.81 -12 1 -3 117.90 11.27 -12 1 -4 1.87 2.26 12 1 6 42.03 3.59 -12 2 9 24.89 3.37 -12 2 8 114.88 8.54 12 2 -8 112.21 6.00 -12 2 7 12.92 3.21 12 2 -7 13.00 2.52 -12 2 6 34.16 5.64 -12 2 6 29.40 5.06 12 2 -6 28.93 4.10 -12 2 6 33.56 6.47 -12 2 5 15.61 4.23 -12 2 5 15.75 4.76 -12 2 5 9.92 3.35 -12 2 4 14.36 4.18 12 2 -4 15.46 3.39 -12 2 4 15.11 3.63 -12 2 4 16.35 4.08 12 2 -4 9.55 4.00 12 2 -3 31.29 4.98 -12 2 3 38.75 6.66 -12 2 3 32.37 4.82 -12 2 3 36.99 6.28 12 2 -2 57.91 6.86 -12 2 2 58.36 8.20 -12 2 2 66.58 6.86 12 2 -2 59.83 8.71 -12 2 2 63.39 8.36 12 2 -1 13.46 3.40 -12 2 1 11.65 3.75 12 2 0 15.49 3.79 12 2 0 13.76 3.04 -12 2 0 9.92 3.41 -12 2 0 6.42 3.29 12 2 1 64.02 7.06 -12 2 -1 56.35 6.76 -12 2 -1 53.26 7.52 12 2 2 53.03 6.21 12 2 3 49.20 5.65 -12 2 -3 47.86 6.75 -12 2 -4 24.17 4.12 12 2 4 18.55 3.19 12 2 5 71.04 4.65 12 2 5 84.39 5.73 -12 2 -5 72.84 5.98 -12 3 7 151.69 9.91 -12 3 7 129.12 8.92 12 3 -7 150.31 7.64 -12 3 6 7.55 2.65 -12 3 6 7.98 2.39 -12 3 5 57.45 7.12 -12 3 5 55.63 7.45 -12 3 5 49.45 5.53 12 3 -5 60.78 5.66 -12 3 4 31.92 5.52 12 3 -4 28.26 4.05 -12 3 4 25.35 4.81 -12 3 3 19.96 4.55 12 3 -3 30.36 4.45 -12 3 2 28.51 5.38 12 3 -2 22.39 3.95 -12 3 1 168.71 12.82 12 3 -1 184.26 11.77 12 3 -1 197.67 12.38 -12 3 0 34.49 5.05 12 3 0 30.70 4.80 -12 3 -1 157.49 9.81 12 3 1 194.11 10.79 12 3 1 192.15 12.01 12 3 2 15.27 3.17 -12 3 -3 3.28 1.86 12 3 3 3.96 1.65 -12 3 -4 4.80 1.65 12 3 4 8.74 1.95 12 3 5 2.18 0.79 12 4 -7 3.81 0.99 -12 4 6 49.23 5.00 -12 4 5 29.44 4.43 12 4 -5 27.24 2.77 -12 4 4 17.94 3.67 12 4 -4 25.31 3.06 -12 4 3 31.83 4.91 12 4 -3 38.34 4.57 12 4 -2 31.73 4.23 -12 4 1 8.48 2.47 12 4 -1 14.63 2.75 12 4 -1 11.33 2.55 -12 4 0 57.96 5.18 12 4 0 74.14 6.08 12 4 0 78.43 6.45 12 4 1 66.05 5.79 12 4 1 65.40 5.45 12 4 2 85.06 5.80 12 4 2 0.39 0.31 12 4 3 138.91 7.60 -12 5 4 26.68 3.13 12 5 -4 26.82 2.67 -12 5 3 6.63 1.82 12 5 -3 12.36 1.99 12 5 -2 21.72 2.71 12 5 -1 35.47 3.44 12 5 -1 39.26 3.75 12 5 0 3.54 1.11 12 5 0 2.02 0.94 -13 -4 3 25.13 2.77 -13 -4 3 23.66 2.90 13 -4 -3 27.03 2.58 -13 -4 2 51.12 4.25 -13 -4 2 55.50 4.47 13 -4 -2 59.96 4.24 -13 -4 1 2.31 0.99 13 -4 -1 4.54 1.19 -13 -3 6 15.75 2.53 -13 -3 5 92.91 6.95 -13 -3 5 97.91 6.20 -13 -3 4 21.92 3.20 13 -3 -4 18.00 2.40 -13 -3 3 20.99 3.14 -13 -3 3 28.78 3.89 13 -3 -3 27.98 3.34 -13 -3 2 32.53 4.24 13 -3 -2 30.65 3.66 -13 -3 1 44.53 4.99 13 -3 -1 59.53 5.25 -13 -3 0 11.41 2.55 13 -3 0 15.80 2.72 -13 -3 -1 41.50 4.31 -13 -3 -2 6.75 1.68 13 -3 2 11.22 1.79 -13 -3 -2 9.04 2.21 -13 -2 7 20.60 3.13 -13 -2 6 70.35 6.57 -13 -2 5 7.30 2.52 -13 -2 4 122.82 9.68 -13 -2 4 125.37 8.71 13 -2 -4 119.91 7.14 -13 -2 3 65.13 6.75 -13 -2 3 67.31 6.59 13 -2 -3 65.65 5.54 -13 -2 2 50.00 5.37 -13 -2 2 55.09 6.13 13 -2 -1 26.35 3.82 13 -2 0 2.58 1.53 -13 -2 -1 0.55 1.09 13 -2 2 37.84 3.67 -13 -2 -2 42.55 5.74 13 -2 3 6.27 1.36 -13 -2 -3 10.09 2.65 -13 -1 8 26.02 3.01 -13 -1 7 119.79 8.56 -13 -1 6 26.57 4.27 -13 -1 5 203.84 13.40 -13 -1 4 11.82 3.20 13 -1 -4 13.05 1.91 13 -1 -3 38.28 4.06 13 -1 -3 40.85 4.41 -13 -1 2 121.97 9.53 13 -1 -2 121.79 8.20 -13 -1 1 25.78 3.57 13 -1 -1 41.94 4.72 -13 -1 0 5.02 2.50 13 -1 1 8.19 1.68 -13 -1 -1 7.52 2.70 13 -1 2 34.38 3.34 -13 -1 -2 43.93 6.27 13 -1 3 23.54 2.36 -13 -1 -3 34.36 5.10 13 -1 4 88.48 5.86 -13 -1 -4 83.17 6.91 -13 0 8 234.05 10.98 13 0 -8 223.38 9.40 -13 0 7 86.41 7.17 -13 0 7 71.51 6.56 13 0 -7 80.26 5.62 -13 0 6 24.70 4.17 13 0 -6 28.65 3.57 13 0 -5 40.93 4.62 13 0 -4 2.24 1.54 13 0 -3 34.37 4.49 13 0 -2 98.92 7.78 -13 0 2 79.35 8.28 -13 0 1 15.92 3.00 -13 0 1 22.80 4.71 -13 0 0 0.64 1.81 13 0 0 1.42 1.22 -13 0 -1 18.46 4.29 -13 0 -2 34.53 5.63 -13 0 -3 7.69 2.64 -13 0 -4 1.50 1.36 -13 1 8 34.07 3.37 13 1 -8 38.17 2.91 -13 1 7 94.16 6.98 13 1 -7 120.22 6.84 -13 1 6 23.75 4.29 -13 1 6 16.39 3.09 13 1 -6 19.74 2.97 -13 1 5 198.38 13.66 13 1 -5 178.21 10.35 -13 1 4 16.88 4.37 13 1 -4 17.40 3.19 -13 1 3 42.87 6.67 13 1 -3 43.47 5.18 -13 1 2 118.29 11.01 13 1 -2 125.65 9.20 -13 1 1 51.45 6.81 13 1 -1 53.39 5.81 -13 1 1 48.36 6.68 -13 1 0 10.33 3.36 13 1 0 11.00 2.57 -13 1 -1 16.06 3.94 13 1 1 12.51 2.75 -13 1 -2 50.98 6.47 -13 1 -3 26.76 4.40 13 1 3 -0.21 0.24 -13 1 -4 97.23 6.97 13 2 -7 27.81 2.66 -13 2 6 53.26 5.93 13 2 -6 62.57 4.83 -13 2 5 16.51 3.64 13 2 -5 8.79 1.98 -13 2 4 150.14 11.39 13 2 -4 143.65 9.17 -13 2 3 72.55 7.72 13 2 -3 70.60 6.00 -13 2 2 52.17 6.66 13 2 -2 48.20 5.42 -13 2 1 22.54 4.16 13 2 -1 31.33 4.25 -13 2 0 0.53 1.36 13 2 0 0.37 1.12 -13 2 -1 0.51 1.30 13 2 1 4.75 1.74 13 2 2 51.73 4.86 -13 2 -2 42.94 5.45 -13 2 -3 10.47 2.48 13 2 3 11.04 1.94 -13 3 6 13.39 2.42 -13 3 5 85.37 6.94 13 3 -5 80.35 5.16 -13 3 4 27.82 4.21 13 3 -4 25.75 3.18 13 3 -4 28.25 3.20 -13 3 3 22.75 3.81 13 3 -3 19.91 2.87 13 3 -3 16.04 2.56 13 3 -2 35.29 4.00 -13 3 1 47.94 4.85 13 3 -1 53.07 4.94 13 3 0 19.83 2.99 13 3 1 44.40 4.26 -13 3 -1 44.09 5.00 -13 3 -2 11.03 2.28 13 3 2 9.13 1.78 13 4 -3 19.23 2.08 13 4 -2 45.11 3.30 -13 4 0 129.60 7.25 -14 -2 2 107.94 5.94 -14 -2 1 23.55 2.64 -14 -2 0 58.96 4.05 -14 -1 2 0.35 0.29 -14 -1 0 68.24 5.34 -14 -1 0 58.87 4.45 -14 -1 -1 8.02 1.50 14 0 -5 59.08 3.80 -14 0 5 56.43 4.63 -14 0 4 -0.47 0.86 14 0 -2 -0.18 0.29 -14 0 1 0.29 0.33 -14 0 0 66.81 5.88 -14 0 -1 19.77 3.08 14 1 -5 16.90 2.00 14 1 -4 42.20 3.60 14 1 -3 80.70 5.40 14 1 -2 40.04 3.69 14 1 -1 22.65 2.70 -14 1 0 80.72 6.27 -14 1 -1 17.92 2.83 14 2 -4 0.15 0.44 14 2 -3 7.70 1.46 14 2 -2 136.27 7.04 14 2 -1 41.86 3.46 TITL ca270122_1_1 in P2(1) REM P2(1) (#4 in standard setting) CELL 1.54184 11.359533 7.463287 11.660036 90.0000 97.8051 90.0000 ZERR 2.00 0.000104 0.000071 0.000117 0.0000 0.0009 0.0000 LATT -1 SYMM -x, y+1/2,-z SFAC C H N O S UNIT 48.00 46.00 2.00 6.00 2.00 REM CrysAlisPro recorded range (K): Min=99.9; max=100.0; aver:100.0 TEMP -173 SIZE 0.07 0.15 0.28 TREF HKLF 4 END _computing_structure_solution 'SHELXT 2014/4 (Sheldrick, 2014)' ; _shelx_hkl_checksum 27535 _olex2_submission_original_sample_id ca270122_1_1 _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 - Detector area scaling ; _oxdiff_exptl_absorpt_empirical_full_max 2.092 _oxdiff_exptl_absorpt_empirical_full_min 0.584