####################################################################### # # 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_ca030122_1_1 _database_code_depnum_ccdc_archive 'CCDC 2149820' 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 2022-01-11 _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_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 'C17 H23 N O3 S' _chemical_formula_sum 'C17 H23 N O3 S' _chemical_formula_weight 321.42 _chemical_melting_point ? _chemical_oxdiff_formula C17H23NO3S 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 14 _space_group_name_H-M_alt 'P 1 21/n 1' _space_group_name_Hall '-P 2yn' loop_ _space_group_symop_operation_xyz 'x, y, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, -y-1/2, z-1/2' _cell_length_a 10.07010(10) _cell_length_b 14.9683(2) _cell_length_c 11.03150(10) _cell_angle_alpha 90 _cell_angle_beta 95.9140(10) _cell_angle_gamma 90 _cell_volume 1653.95(3) _cell_formula_units_Z 4 _cell_measurement_reflns_used 14981 _cell_measurement_temperature 100.0(1) _cell_measurement_theta_max 79.5630 _cell_measurement_theta_min 4.4280 _shelx_estimated_absorpt_T_max 0.852 _shelx_estimated_absorpt_T_min 0.667 _exptl_absorpt_coefficient_mu 1.838 _exptl_absorpt_correction_T_max 1.000 _exptl_absorpt_correction_T_min 0.483 _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 1.291 _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_description plank _exptl_crystal_F_000 688 loop_ _exptl_crystal_face_index_h _exptl_crystal_face_index_k _exptl_crystal_face_index_l _exptl_crystal_face_perp_dist 0 1 1 0.0350 0 -1 -1 0.0552 1 -8 4 0.0612 4 -6 3 0.0723 6 -1 0 0.1010 6 2 -1 0.1072 3 7 -4 0.1218 -3 7 -4 0.0546 -6 3 -1 0.0801 -5 -5 3 0.1136 -5 2 -4 0.0700 -3 6 -4 0.0464 -3 -8 0 0.1126 -2 6 -5 0.0576 4 -4 -5 0.0632 3 -1 -6 0.0630 -3 0 7 0.0748 0 -5 6 0.0587 2 7 4 0.0664 3 0 6 0.0680 -3 7 4 0.0679 -5 -1 5 0.1002 _exptl_crystal_size_max 0.241 _exptl_crystal_size_mid 0.126 _exptl_crystal_size_min 0.09 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 0.0000 1.0000 1.0000 0.0460 0.1678 0.0029 -0.0000 -1.0000 -1.0000 -0.0460 -0.1678 -0.0029 0.6859 -7.7360 4.1624 -0.2543 0.0624 0.9651 3.8847 -6.1463 3.0983 0.2566 -0.0599 0.9647 6.4652 -0.9198 0.0960 0.8463 -0.2017 0.4930 6.3829 1.8773 -1.4193 0.9610 -0.2297 0.1538 3.2682 6.8622 -3.9345 0.7579 -0.1823 -0.6264 -3.0213 6.8188 -3.5179 -0.1077 0.0242 -0.9939 -5.8465 3.2930 -1.4247 -0.6545 0.1554 -0.7399 -4.7706 -5.4868 3.2807 -0.9022 0.2165 0.3730 -4.8711 1.8191 -4.0110 -0.5891 -0.2457 -0.7698 -3.4671 5.5375 -4.0779 -0.2275 -0.0959 -0.9690 -3.4774 -8.1938 -0.1272 -0.8496 -0.3521 0.3926 -2.3888 6.1990 -4.5562 -0.0497 -0.1444 -0.9883 4.2116 -4.4567 -4.8364 0.3731 -0.8995 0.2273 3.2404 -1.4258 -6.4638 0.3762 -0.9056 -0.1957 -2.7182 0.2018 6.7833 -0.3598 0.8657 0.3480 -0.0567 -4.5051 6.3153 -0.2082 0.4987 0.8414 2.1116 6.9226 4.1982 0.6070 0.7924 -0.0603 3.2557 0.3444 5.8049 0.4665 0.6073 0.6431 -3.4646 6.7920 3.8115 -0.1651 0.8832 -0.4390 -5.2827 -1.3992 4.6655 -0.7861 0.6025 0.1377 _exptl_transmission_factor_max ? _exptl_transmission_factor_min ? _diffrn_reflns_av_R_equivalents 0.0388 _diffrn_reflns_av_unetI/netI 0.0233 _diffrn_reflns_Laue_measured_fraction_full 1.000 _diffrn_reflns_Laue_measured_fraction_max 0.986 _diffrn_reflns_limit_h_max 12 _diffrn_reflns_limit_h_min -12 _diffrn_reflns_limit_k_max 18 _diffrn_reflns_limit_k_min -18 _diffrn_reflns_limit_l_max 14 _diffrn_reflns_limit_l_min -13 _diffrn_reflns_number 21006 _diffrn_reflns_point_group_measured_fraction_full 1.000 _diffrn_reflns_point_group_measured_fraction_max 0.986 _diffrn_reflns_theta_full 67.684 _diffrn_reflns_theta_max 79.913 _diffrn_reflns_theta_min 4.998 _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 0.986 _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 89.00 117.00 0.50 0.30 -- 110.00 77.00 150.00 56 2 \w 126.00 176.00 0.50 0.30 -- 110.00 77.00 150.00 100 3 \w 90.00 176.00 0.50 0.30 -- 110.00 77.00-120.00 172 4 \w 136.00 167.00 0.50 0.30 -- 110.00 77.00-180.00 62 5 \w 89.00 126.00 0.50 0.30 -- 110.00 77.00-180.00 74 6 \w 89.00 114.00 0.50 0.30 -- 110.00 77.00-150.00 50 7 \w 96.00 132.00 0.50 0.30 -- 110.00 57.00-150.00 72 8 \w 126.00 176.00 0.50 0.30 -- 110.00 77.00-150.00 100 9 \w 126.00 161.00 0.50 0.30 -- 110.00 77.00 -30.00 70 10 \w 94.00 119.00 0.50 0.30 -- 110.00 77.00 -30.00 50 11 \w 95.00 133.00 0.50 0.30 -- 110.00 57.00 30.00 76 12 \w 117.00 176.00 0.50 0.30 -- 110.00 57.00 90.00 118 13 \w 98.00 172.00 0.50 0.30 -- 110.00 57.00 60.00 148 14 \w 145.00 178.00 0.50 0.30 -- 110.00 57.00 30.00 66 15 \w 107.00 178.00 0.50 0.30 -- 110.00 57.00 0.00 142 16 \w 107.00 137.00 0.50 0.30 -- 110.00 38.00 -90.00 60 17 \w 103.00 133.00 0.50 0.30 -- 110.00 57.00-120.00 60 18 \w 108.00 133.00 0.50 0.30 -- 110.00 38.00-150.00 50 19 \w 99.00 143.00 0.50 0.30 -- 110.00 19.00-180.00 88 20 \w 109.00 134.00 0.50 0.30 -- 110.00 38.00-120.00 50 21 \w 109.00 148.00 0.50 0.30 -- 110.00 19.00 150.00 78 22 \w -103.00 -37.00 0.50 0.10 -- -48.87 -57.00 -60.00 132 23 \w -75.00 -43.00 0.50 0.10 -- -48.87 -38.00-120.00 64 24 \w -118.00 -87.00 0.50 0.10 -- -48.87 -38.00-120.00 62 25 \w -82.00 -39.00 0.50 0.10 -- -48.87 -57.00 60.00 86 26 \w -115.00 -89.00 0.50 0.10 -- -48.87 -57.00 60.00 52 27 \w -128.00 -46.00 0.50 0.30 -- -70.00 -77.00 -60.00 164 28 \w -74.00 -48.00 0.50 0.30 -- -70.00 -77.00-120.00 52 29 \w -91.00 -58.00 0.50 0.30 -- -70.00 -38.00-180.00 66 30 \w -127.00 -94.00 0.50 0.30 -- -70.00 -77.00-120.00 66 31 \w -131.00 -85.00 0.50 0.30 -- -70.00 -99.00 150.00 92 32 \w 40.00 66.00 0.50 0.30 -- 110.00 -57.00 -60.00 52 33 \w 39.00 64.00 0.50 0.30 -- 110.00 -57.00 -90.00 50 34 \w 41.00 66.00 0.50 0.30 -- 110.00 -57.00-120.00 50 35 \w 38.00 63.00 0.50 0.30 -- 110.00 -57.00-150.00 50 36 \w 38.00 68.00 0.50 0.30 -- 110.00 -57.00-180.00 60 37 \w -26.00 6.00 0.50 0.10 -- 48.87 -19.00-180.00 64 38 \w -25.00 9.00 0.50 0.10 -- 48.87 -19.00 90.00 68 39 \w 49.00 85.00 0.50 0.30 -- 110.00-125.00 150.00 72 40 \w 52.00 79.00 0.50 0.30 -- 110.00 -99.00 60.00 54 41 \w -67.00 2.00 0.50 0.30 -- -70.00 57.00 60.00 138 42 \w -38.00 6.00 0.50 0.30 -- -70.00 38.00 -60.00 88 ; _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 0.1373550000 _diffrn_orient_matrix_UB_12 0.0453918000 _diffrn_orient_matrix_UB_13 0.0006432000 _diffrn_orient_matrix_UB_21 -0.0255245000 _diffrn_orient_matrix_UB_22 0.0520055000 _diffrn_orient_matrix_UB_23 0.1158411000 _diffrn_orient_matrix_UB_31 0.0642041000 _diffrn_orient_matrix_UB_32 -0.0763920000 _diffrn_orient_matrix_UB_33 0.0793097000 _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 0.000 _reflns_Friedel_fraction_full . _reflns_Friedel_fraction_max . _reflns_number_gt 3278 _reflns_number_total 3540 _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 0.289 _refine_diff_density_min -0.434 _refine_diff_density_rms 0.049 _refine_ls_extinction_coef . _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.048 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 230 _refine_ls_number_reflns 3540 _refine_ls_number_restraints 130 _refine_ls_R_factor_all 0.0362 _refine_ls_R_factor_gt 0.0338 _refine_ls_restrained_S_all 1.031 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0441P)^2^+0.8229P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0880 _refine_ls_wR_factor_ref 0.0898 _refine_special_details 'Disorder around C4 and O1.' _olex2_refinement_description ; 1. Fixed Uiso At 1.2 times of: All C(H) groups, All C(H,H) groups, All C(H,H,H,H) groups At 1.5 times of: All C(H,H,H) groups 2. Restrained distances C4A-C3 \\sim C4-C3 with sigma of 0.02 C5A-C4A \\sim C5-C4 with sigma of 0.02 O1A-C1 \\sim O1-C1 with sigma of 0.02 O1A-C4A \\sim O1-C4 with sigma of 0.02 3. Uiso/Uaniso restraints and constraints C3 \\sim O1A \\sim O1 \\sim C4A \\sim C4 \\sim C5 \\sim C5A: within 2A with sigma of 0.04 and sigma for terminal atoms of 0.08 within 2A 4. Rigid body (RIGU) restrains C3, C1, O1, C4, C5, C5A, C4A, O1A with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004 5. Others Sof(H3BC)=Sof(H3BD)=Sof(C5A)=Sof(H5AA)=Sof(H5AB)=Sof(H5AC)=Sof(C4A)=Sof(H4A)= Sof(O1A)=1-FVAR(1) Sof(O1)=Sof(H3AA)=Sof(H3AB)=Sof(C4)=Sof(H4)=Sof(C5)=Sof(H5A)=Sof(H5B)= Sof(H5C)=FVAR(1) 6.a Ternary CH refined with riding coordinates: C4(H4), C4A(H4A) 6.b Secondary CH2 refined with riding coordinates: C3(H3AA,H3AB), C3(H3BC,H3BD), C6(H6A,H6B), C7(H7A,H7B), C8(H8A,H8B), C9(H9A, H9B), C10(H10A,H10B) 6.c Aromatic/amide H refined with riding coordinates: C12(H12), C13(H13), C15(H15), C16(H16) 6.d Idealised Me refined as rotating group: C5(H5A,H5B,H5C), C17(H17A,H17B,H17C), C5A(H5AA,H5AB,H5AC) ; _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 0.21077(3) 0.65977(2) 0.49329(3) 0.01655(10) Uani 1 1 d . . . . . O1 O 0.39696(16) 0.56271(10) 0.35218(16) 0.0189(4) Uani 0.907(4) 1 d D U P A 1 O2 O 0.15194(9) 0.73962(7) 0.53572(9) 0.0235(2) Uani 1 1 d . . . . . O3 O 0.22927(10) 0.58497(7) 0.57497(9) 0.0239(2) Uani 1 1 d . . . . . N1 N 0.35630(11) 0.69277(8) 0.45414(11) 0.0214(3) Uani 1 1 d . . . . . C1 C 0.43169(12) 0.64229(9) 0.39640(11) 0.0155(2) Uani 1 1 d D . . . . C2 C 0.57465(12) 0.66629(8) 0.38051(12) 0.0157(3) Uani 1 1 d . . . . . C3 C 0.60556(13) 0.59948(9) 0.28100(12) 0.0199(3) Uani 1 1 d D U . . . H3AA H 0.588528 0.626498 0.198960 0.024 Uiso 0.907(4) 1 calc R U P A 1 H3AB H 0.699657 0.579441 0.293581 0.024 Uiso 0.907(4) 1 calc R U P A 1 H3BC H 0.655960 0.630123 0.220701 0.024 Uiso 0.093(4) 1 calc R U P A 2 H3BD H 0.661977 0.550566 0.318311 0.024 Uiso 0.093(4) 1 calc R U P A 2 C4 C 0.51030(15) 0.52192(10) 0.29590(14) 0.0204(4) Uani 0.907(4) 1 d D U P A 1 H4 H 0.555354 0.476832 0.353061 0.024 Uiso 0.907(4) 1 calc R U P A 1 C5 C 0.4530(4) 0.4757(2) 0.1804(5) 0.0285(8) Uani 0.907(4) 1 d D U P A 1 H5A H 0.387264 0.431117 0.199967 0.043 Uiso 0.907(4) 1 calc R U P A 1 H5B H 0.524978 0.446156 0.142259 0.043 Uiso 0.907(4) 1 calc R U P A 1 H5C H 0.409635 0.519930 0.123904 0.043 Uiso 0.907(4) 1 calc R U P A 1 C6 C 0.58790(13) 0.76476(9) 0.34388(12) 0.0176(3) Uani 1 1 d . . . . . H6A H 0.540957 0.774129 0.261516 0.021 Uiso 1 1 calc R U . . . H6B H 0.544747 0.803086 0.401586 0.021 Uiso 1 1 calc R U . . . C7 C 0.73403(13) 0.79221(9) 0.34388(13) 0.0203(3) Uani 1 1 d . . . . . H7A H 0.775675 0.756958 0.281951 0.024 Uiso 1 1 calc R U . . . H7B H 0.739007 0.856147 0.321807 0.024 Uiso 1 1 calc R U . . . C8 C 0.81057(13) 0.77698(9) 0.46874(13) 0.0219(3) Uani 1 1 d . . . . . H8A H 0.772178 0.814698 0.530089 0.026 Uiso 1 1 calc R U . . . H8B H 0.905113 0.794419 0.466468 0.026 Uiso 1 1 calc R U . . . C9 C 0.80281(13) 0.67879(9) 0.50500(13) 0.0202(3) Uani 1 1 d . . . . . H9A H 0.849774 0.670382 0.587549 0.024 Uiso 1 1 calc R U . . . H9B H 0.848492 0.641806 0.447532 0.024 Uiso 1 1 calc R U . . . C10 C 0.65787(13) 0.64750(9) 0.50423(12) 0.0170(3) Uani 1 1 d . . . . . H10A H 0.616188 0.678466 0.569996 0.020 Uiso 1 1 calc R U . . . H10B H 0.656748 0.582576 0.521188 0.020 Uiso 1 1 calc R U . . . C11 C 0.11193(12) 0.62464(9) 0.36075(11) 0.0153(2) Uani 1 1 d . . . . . C12 C 0.07265(13) 0.53614(9) 0.34884(12) 0.0189(3) Uani 1 1 d . . . . . H12 H 0.104247 0.493419 0.408668 0.023 Uiso 1 1 calc R U . . . C13 C -0.01360(14) 0.51058(9) 0.24827(13) 0.0213(3) Uani 1 1 d . . . . . H13 H -0.041226 0.450017 0.239880 0.026 Uiso 1 1 calc R U . . . C14 C -0.06009(13) 0.57252(9) 0.15964(12) 0.0189(3) Uani 1 1 d . . . . . C15 C -0.01842(14) 0.66103(9) 0.17327(12) 0.0203(3) Uani 1 1 d . . . . . H15 H -0.049081 0.703789 0.113153 0.024 Uiso 1 1 calc R U . . . C16 C 0.06721(13) 0.68765(9) 0.27336(12) 0.0192(3) Uani 1 1 d . . . . . H16 H 0.094929 0.748184 0.282059 0.023 Uiso 1 1 calc R U . . . C17 C -0.15607(15) 0.54598(11) 0.05115(13) 0.0272(3) Uani 1 1 d . . . . . H17A H -0.111517 0.551142 -0.023442 0.041 Uiso 1 1 calc R U . . . H17B H -0.234036 0.585511 0.045625 0.041 Uiso 1 1 calc R U . . . H17C H -0.184859 0.484093 0.060949 0.041 Uiso 1 1 calc R U . . . C5A C 0.484(4) 0.4637(16) 0.193(5) 0.026(6) Uani 0.093(4) 1 d D U P A 2 H5AA H 0.535032 0.452541 0.123872 0.040 Uiso 0.093(4) 1 calc R U P A 2 H5AB H 0.392066 0.442641 0.173778 0.040 Uiso 0.093(4) 1 calc R U P A 2 H5AC H 0.525309 0.431821 0.265003 0.040 Uiso 0.093(4) 1 calc R U P A 2 C4A C 0.4829(12) 0.5623(9) 0.2196(11) 0.017(3) Uani 0.093(4) 1 d D U P A 2 H4A H 0.456365 0.596119 0.142719 0.020 Uiso 0.093(4) 1 calc R U P A 2 O1A O 0.3877(15) 0.5811(10) 0.3100(13) 0.017(3) Uani 0.093(4) 1 d D U P A 2 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 0.01118(16) 0.02240(18) 0.01598(17) -0.00277(11) 0.00095(11) 0.00017(11) O1 0.0150(6) 0.0162(6) 0.0260(8) -0.0034(6) 0.0039(6) 0.0002(5) O2 0.0171(5) 0.0291(5) 0.0242(5) -0.0091(4) 0.0022(4) 0.0022(4) O3 0.0194(5) 0.0325(6) 0.0192(5) 0.0040(4) -0.0012(4) 0.0010(4) N1 0.0131(5) 0.0273(6) 0.0241(6) -0.0087(5) 0.0028(4) -0.0031(4) C1 0.0139(6) 0.0173(6) 0.0148(6) 0.0001(4) -0.0018(5) 0.0008(5) C2 0.0125(6) 0.0171(6) 0.0175(6) 0.0005(5) 0.0020(5) 0.0008(4) C3 0.0181(6) 0.0217(6) 0.0204(6) -0.0024(5) 0.0045(5) 0.0003(5) C4 0.0164(7) 0.0196(7) 0.0254(9) -0.0039(6) 0.0033(6) 0.0036(6) C5 0.026(2) 0.0279(12) 0.0312(15) -0.0120(12) 0.0018(14) 0.0010(11) C6 0.0146(6) 0.0176(6) 0.0202(6) 0.0028(5) 0.0005(5) 0.0015(5) C7 0.0159(6) 0.0190(6) 0.0265(7) 0.0048(5) 0.0039(5) 0.0008(5) C8 0.0150(6) 0.0203(7) 0.0299(7) 0.0028(5) -0.0008(5) -0.0022(5) C9 0.0145(6) 0.0203(6) 0.0251(7) 0.0036(5) -0.0019(5) 0.0002(5) C10 0.0143(6) 0.0180(6) 0.0183(6) 0.0024(5) -0.0003(5) 0.0003(5) C11 0.0108(5) 0.0186(6) 0.0165(6) -0.0011(5) 0.0017(4) 0.0001(4) C12 0.0174(6) 0.0173(6) 0.0216(6) 0.0027(5) 0.0000(5) 0.0020(5) C13 0.0215(7) 0.0166(6) 0.0256(7) -0.0028(5) 0.0016(5) -0.0030(5) C14 0.0133(6) 0.0261(7) 0.0176(6) -0.0040(5) 0.0024(5) -0.0002(5) C15 0.0207(7) 0.0222(7) 0.0178(6) 0.0030(5) 0.0006(5) 0.0027(5) C16 0.0203(6) 0.0163(6) 0.0211(6) 0.0012(5) 0.0027(5) -0.0018(5) C17 0.0217(7) 0.0371(8) 0.0219(7) -0.0064(6) -0.0022(5) -0.0022(6) C5A 0.017(15) 0.025(7) 0.035(13) -0.003(7) -0.008(10) 0.012(7) C4A 0.018(5) 0.027(6) 0.008(6) 0.004(5) 0.007(4) 0.003(4) O1A 0.011(5) 0.019(6) 0.022(6) -0.004(5) 0.003(5) 0.002(4) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _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 1.4338(10) . ? S1 O3 1.4373(10) . ? S1 N1 1.6457(11) . ? S1 C11 1.7622(13) . ? O1 C1 1.3206(19) . ? O1 C4 1.486(2) . ? N1 C1 1.2856(17) . ? C1 C2 1.5114(17) . ? C1 O1A 1.363(13) . ? C2 C3 1.5401(18) . ? C2 C6 1.5378(17) . ? C2 C10 1.5519(17) . ? C3 H3AA 0.9900 . ? C3 H3AB 0.9900 . ? C3 H3BC 0.9900 . ? C3 H3BD 0.9900 . ? C3 C4 1.526(2) . ? C3 C4A 1.457(12) . ? C4 H4 1.0000 . ? C4 C5 1.511(4) . ? C5 H5A 0.9800 . ? C5 H5B 0.9800 . ? C5 H5C 0.9800 . ? C6 H6A 0.9900 . ? C6 H6B 0.9900 . ? C6 C7 1.5279(17) . ? C7 H7A 0.9900 . ? C7 H7B 0.9900 . ? C7 C8 1.5246(19) . ? C8 H8A 0.9900 . ? C8 H8B 0.9900 . ? C8 C9 1.5273(19) . ? C9 H9A 0.9900 . ? C9 H9B 0.9900 . ? C9 C10 1.5321(17) . ? C10 H10A 0.9900 . ? C10 H10B 0.9900 . ? C11 C12 1.3848(18) . ? C11 C16 1.3901(18) . ? C12 H12 0.9500 . ? C12 C13 1.3904(19) . ? C13 H13 0.9500 . ? C13 C14 1.3930(19) . ? C14 C15 1.3932(19) . ? C14 C17 1.5119(18) . ? C15 H15 0.9500 . ? C15 C16 1.3876(19) . ? C16 H16 0.9500 . ? C17 H17A 0.9800 . ? C17 H17B 0.9800 . ? C17 H17C 0.9800 . ? C5A H5AA 0.9800 . ? C5A H5AB 0.9800 . ? C5A H5AC 0.9800 . ? C5A C4A 1.503(18) . ? C4A H4A 1.0000 . ? C4A O1A 1.480(14) . ? 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 O3 118.42(6) . . ? O2 S1 N1 104.16(6) . . ? O2 S1 C11 107.61(6) . . ? O3 S1 N1 109.69(6) . . ? O3 S1 C11 108.26(6) . . ? N1 S1 C11 108.30(6) . . ? C1 O1 C4 109.84(13) . . ? C1 N1 S1 122.75(10) . . ? O1 C1 C2 113.00(12) . . ? N1 C1 O1 124.45(13) . . ? N1 C1 C2 122.41(12) . . ? N1 C1 O1A 125.1(6) . . ? O1A C1 C2 108.9(6) . . ? C1 C2 C3 101.14(10) . . ? C1 C2 C6 111.58(10) . . ? C1 C2 C10 106.82(10) . . ? C3 C2 C10 112.25(10) . . ? C6 C2 C3 113.93(11) . . ? C6 C2 C10 110.55(10) . . ? C2 C3 H3AA 111.0 . . ? C2 C3 H3AB 111.0 . . ? C2 C3 H3BC 109.5 . . ? C2 C3 H3BD 109.5 . . ? H3AA C3 H3AB 109.0 . . ? H3BC C3 H3BD 108.1 . . ? C4 C3 C2 104.00(11) . . ? C4 C3 H3AA 111.0 . . ? C4 C3 H3AB 111.0 . . ? C4A C3 C2 110.8(5) . . ? C4A C3 H3BC 109.5 . . ? C4A C3 H3BD 109.5 . . ? O1 C4 C3 104.53(12) . . ? O1 C4 H4 109.4 . . ? O1 C4 C5 107.31(19) . . ? C3 C4 H4 109.4 . . ? C5 C4 C3 116.6(2) . . ? C5 C4 H4 109.4 . . ? C4 C5 H5A 109.5 . . ? C4 C5 H5B 109.5 . . ? C4 C5 H5C 109.5 . . ? H5A C5 H5B 109.5 . . ? H5A C5 H5C 109.5 . . ? H5B C5 H5C 109.5 . . ? C2 C6 H6A 109.3 . . ? C2 C6 H6B 109.3 . . ? H6A C6 H6B 108.0 . . ? C7 C6 C2 111.56(10) . . ? C7 C6 H6A 109.3 . . ? C7 C6 H6B 109.3 . . ? C6 C7 H7A 109.5 . . ? C6 C7 H7B 109.5 . . ? H7A C7 H7B 108.0 . . ? C8 C7 C6 110.92(11) . . ? C8 C7 H7A 109.5 . . ? C8 C7 H7B 109.5 . . ? C7 C8 H8A 109.6 . . ? C7 C8 H8B 109.6 . . ? C7 C8 C9 110.23(11) . . ? H8A C8 H8B 108.1 . . ? C9 C8 H8A 109.6 . . ? C9 C8 H8B 109.6 . . ? C8 C9 H9A 109.3 . . ? C8 C9 H9B 109.3 . . ? C8 C9 C10 111.54(11) . . ? H9A C9 H9B 108.0 . . ? C10 C9 H9A 109.3 . . ? C10 C9 H9B 109.3 . . ? C2 C10 H10A 109.2 . . ? C2 C10 H10B 109.2 . . ? C9 C10 C2 112.17(11) . . ? C9 C10 H10A 109.2 . . ? C9 C10 H10B 109.2 . . ? H10A C10 H10B 107.9 . . ? C12 C11 S1 119.71(10) . . ? C12 C11 C16 120.96(12) . . ? C16 C11 S1 119.20(10) . . ? C11 C12 H12 120.4 . . ? C11 C12 C13 119.19(12) . . ? C13 C12 H12 120.4 . . ? C12 C13 H13 119.5 . . ? C12 C13 C14 120.94(12) . . ? C14 C13 H13 119.5 . . ? C13 C14 C15 118.78(12) . . ? C13 C14 C17 121.46(13) . . ? C15 C14 C17 119.75(13) . . ? C14 C15 H15 119.5 . . ? C16 C15 C14 120.97(12) . . ? C16 C15 H15 119.5 . . ? C11 C16 H16 120.4 . . ? C15 C16 C11 119.17(12) . . ? C15 C16 H16 120.4 . . ? C14 C17 H17A 109.5 . . ? C14 C17 H17B 109.5 . . ? C14 C17 H17C 109.5 . . ? H17A C17 H17B 109.5 . . ? H17A C17 H17C 109.5 . . ? H17B C17 H17C 109.5 . . ? H5AA C5A H5AB 109.5 . . ? H5AA C5A H5AC 109.5 . . ? H5AB C5A H5AC 109.5 . . ? C4A C5A H5AA 109.5 . . ? C4A C5A H5AB 109.5 . . ? C4A C5A H5AC 109.5 . . ? C3 C4A C5A 116.3(17) . . ? C3 C4A H4A 109.9 . . ? C3 C4A O1A 101.0(9) . . ? C5A C4A H4A 109.9 . . ? O1A C4A C5A 110(2) . . ? O1A C4A H4A 109.9 . . ? C1 O1A C4A 114.4(11) . . ? 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 6.7(2) . . . . ? S1 N1 C1 C2 -168.75(9) . . . . ? S1 N1 C1 O1A 35.0(9) . . . . ? S1 C11 C12 C13 175.14(10) . . . . ? S1 C11 C16 C15 -175.41(10) . . . . ? O1 C1 C2 C3 17.97(15) . . . . ? O1 C1 C2 C6 139.47(13) . . . . ? O1 C1 C2 C10 -99.60(14) . . . . ? O2 S1 N1 C1 -170.52(11) . . . . ? O2 S1 C11 C12 -132.08(11) . . . . ? O2 S1 C11 C16 43.65(12) . . . . ? O3 S1 N1 C1 61.77(13) . . . . ? O3 S1 C11 C12 -2.98(12) . . . . ? O3 S1 C11 C16 172.74(10) . . . . ? N1 S1 C11 C12 115.88(11) . . . . ? N1 S1 C11 C16 -68.39(12) . . . . ? N1 C1 C2 C3 -166.13(12) . . . . ? N1 C1 C2 C6 -44.63(17) . . . . ? N1 C1 C2 C10 76.30(15) . . . . ? N1 C1 O1A C4A 153.2(8) . . . . ? C1 O1 C4 C3 -15.53(18) . . . . ? C1 O1 C4 C5 -139.9(2) . . . . ? C1 C2 C3 C4 -25.80(13) . . . . ? C1 C2 C3 C4A 16.8(6) . . . . ? C1 C2 C6 C7 172.63(11) . . . . ? C1 C2 C10 C9 -173.70(11) . . . . ? C2 C1 O1A C4A -5.8(14) . . . . ? C2 C3 C4 O1 25.78(15) . . . . ? C2 C3 C4 C5 144.02(18) . . . . ? C2 C3 C4A C5A -138(3) . . . . ? C2 C3 C4A O1A -19.6(11) . . . . ? C2 C6 C7 C8 -57.84(15) . . . . ? C3 C2 C6 C7 -73.61(14) . . . . ? C3 C2 C10 C9 76.31(14) . . . . ? C3 C4A O1A C1 15.8(15) . . . . ? C4 O1 C1 N1 -177.62(13) . . . . ? C4 O1 C1 C2 -1.82(18) . . . . ? C6 C2 C3 C4 -145.64(11) . . . . ? C6 C2 C3 C4A -103.0(6) . . . . ? C6 C2 C10 C9 -52.12(14) . . . . ? C6 C7 C8 C9 58.54(15) . . . . ? C7 C8 C9 C10 -56.73(15) . . . . ? C8 C9 C10 C2 54.06(15) . . . . ? C10 C2 C3 C4 87.73(13) . . . . ? C10 C2 C3 C4A 130.4(6) . . . . ? C10 C2 C6 C7 53.90(14) . . . . ? C11 S1 N1 C1 -56.19(13) . . . . ? C11 C12 C13 C14 0.3(2) . . . . ? C12 C11 C16 C15 0.3(2) . . . . ? C12 C13 C14 C15 0.1(2) . . . . ? C12 C13 C14 C17 -178.76(13) . . . . ? C13 C14 C15 C16 -0.4(2) . . . . ? C14 C15 C16 C11 0.2(2) . . . . ? C16 C11 C12 C13 -0.5(2) . . . . ? C17 C14 C15 C16 178.52(13) . . . . ? C5A C4A O1A C1 139(2) . . . . ? O1A C1 C2 C3 -6.5(8) . . . . ? O1A C1 C2 C6 115.0(8) . . . . ? O1A C1 C2 C10 -124.1(8) . . . . ? _shelx_res_file ; TITL ca030122_1_1_a.res in P2(1)/n ca030122_1_1.res created by SHELXL-2018/3 at 10:29:42 on 11-Jan-2022 REM Old TITL ca030122_1_1 in P2(1)/n REM SHELXT solution in P2(1)/n REM R1 0.104, Rweak 0.009, Alpha 0.031, Orientation as input REM Formula found by SHELXT: C17 N O3 S CELL 1.54184 10.0701 14.9683 11.0315 90 95.914 90 ZERR 4 0.0001 0.0002 0.0001 0 0.001 0 LATT 1 SYMM 0.5-X,0.5+Y,0.5-Z SFAC C H N O S UNIT 68 92 4 12 4 SADI C4A C3 C4 C3 RIGU C3 C1 O1 C4 C5 C5A C4A O1A SADI C5A C4A C5 C4 SADI O1A C1 O1 C1 SADI O1A C4A O1 C4 SIMU C3 O1A O1 C4A C4 C5 C5A L.S. 9 PLAN 20 SIZE 0.09 0.13 0.24 TEMP -173 CONF BOND $H list 4 fmap 2 ACTA MORE -1 REM REM REM WGHT 0.044100 0.822900 FVAR 0.43158 0.90651 S1 5 0.210771 0.659773 0.493289 11.00000 0.01118 0.02240 = 0.01598 -0.00277 0.00095 0.00017 PART 1 O1 4 0.396956 0.562712 0.352180 21.00000 0.01499 0.01620 = 0.02603 -0.00340 0.00390 0.00024 PART 0 O2 4 0.151935 0.739620 0.535718 11.00000 0.01709 0.02910 = 0.02422 -0.00906 0.00224 0.00220 O3 4 0.229269 0.584968 0.574968 11.00000 0.01938 0.03254 = 0.01921 0.00398 -0.00119 0.00104 N1 3 0.356295 0.692770 0.454136 11.00000 0.01307 0.02731 = 0.02405 -0.00867 0.00277 -0.00313 C1 1 0.431691 0.642285 0.396404 11.00000 0.01388 0.01726 = 0.01477 0.00009 -0.00182 0.00078 C2 1 0.574647 0.666287 0.380506 11.00000 0.01254 0.01711 = 0.01750 0.00047 0.00202 0.00076 C3 1 0.605557 0.599483 0.281005 11.00000 0.01811 0.02168 = 0.02037 -0.00241 0.00455 0.00035 PART 1 AFIX 23 H3AA 2 0.588528 0.626498 0.198960 21.00000 -1.20000 H3AB 2 0.699657 0.579441 0.293581 21.00000 -1.20000 AFIX 23 PART 2 H3BC 2 0.655960 0.630123 0.220701 -21.00000 -1.20000 H3BD 2 0.661977 0.550566 0.318311 -21.00000 -1.20000 AFIX 0 PART 1 C4 1 0.510299 0.521918 0.295897 21.00000 0.01641 0.01962 = 0.02542 -0.00395 0.00329 0.00360 AFIX 13 H4 2 0.555354 0.476832 0.353061 21.00000 -1.20000 AFIX 0 C5 1 0.453008 0.475720 0.180351 21.00000 0.02630 0.02792 = 0.03118 -0.01199 0.00183 0.00104 AFIX 137 H5A 2 0.387264 0.431117 0.199967 21.00000 -1.50000 H5B 2 0.524978 0.446156 0.142259 21.00000 -1.50000 H5C 2 0.409635 0.519930 0.123904 21.00000 -1.50000 AFIX 0 PART 0 C6 1 0.587896 0.764763 0.343879 11.00000 0.01458 0.01763 = 0.02018 0.00282 0.00051 0.00154 AFIX 23 H6A 2 0.540957 0.774129 0.261516 11.00000 -1.20000 H6B 2 0.544747 0.803086 0.401586 11.00000 -1.20000 AFIX 0 C7 1 0.734033 0.792214 0.343880 11.00000 0.01588 0.01899 = 0.02646 0.00477 0.00391 0.00084 AFIX 23 H7A 2 0.775675 0.756958 0.281951 11.00000 -1.20000 H7B 2 0.739007 0.856147 0.321807 11.00000 -1.20000 AFIX 0 C8 1 0.810570 0.776981 0.468742 11.00000 0.01497 0.02031 = 0.02986 0.00281 -0.00081 -0.00217 AFIX 23 H8A 2 0.772178 0.814698 0.530089 11.00000 -1.20000 H8B 2 0.905113 0.794419 0.466468 11.00000 -1.20000 AFIX 0 C9 1 0.802809 0.678793 0.504997 11.00000 0.01446 0.02027 = 0.02515 0.00356 -0.00186 0.00016 AFIX 23 H9A 2 0.849774 0.670382 0.587549 11.00000 -1.20000 H9B 2 0.848492 0.641806 0.447532 11.00000 -1.20000 AFIX 0 C10 1 0.657867 0.647505 0.504226 11.00000 0.01432 0.01798 = 0.01832 0.00236 -0.00025 0.00029 AFIX 23 H10A 2 0.616188 0.678466 0.569996 11.00000 -1.20000 H10B 2 0.656748 0.582576 0.521188 11.00000 -1.20000 AFIX 0 C11 1 0.111926 0.624638 0.360746 11.00000 0.01080 0.01863 = 0.01653 -0.00110 0.00174 0.00014 C12 1 0.072646 0.536144 0.348844 11.00000 0.01737 0.01735 = 0.02163 0.00273 0.00004 0.00204 AFIX 43 H12 2 0.104247 0.493419 0.408668 11.00000 -1.20000 AFIX 0 C13 1 -0.013604 0.510583 0.248271 11.00000 0.02148 0.01664 = 0.02559 -0.00277 0.00162 -0.00297 AFIX 43 H13 2 -0.041226 0.450017 0.239880 11.00000 -1.20000 AFIX 0 C14 1 -0.060088 0.572522 0.159637 11.00000 0.01330 0.02606 = 0.01763 -0.00404 0.00243 -0.00016 C15 1 -0.018419 0.661033 0.173268 11.00000 0.02075 0.02219 = 0.01778 0.00302 0.00056 0.00268 AFIX 43 H15 2 -0.049081 0.703789 0.113153 11.00000 -1.20000 AFIX 0 C16 1 0.067211 0.687654 0.273361 11.00000 0.02026 0.01626 = 0.02112 0.00120 0.00266 -0.00182 AFIX 43 H16 2 0.094929 0.748184 0.282059 11.00000 -1.20000 AFIX 0 C17 1 -0.156067 0.545983 0.051151 11.00000 0.02168 0.03705 = 0.02193 -0.00644 -0.00217 -0.00217 AFIX 137 H17A 2 -0.111517 0.551142 -0.023442 11.00000 -1.50000 H17B 2 -0.234036 0.585511 0.045625 11.00000 -1.50000 H17C 2 -0.184859 0.484093 0.060949 11.00000 -1.50000 AFIX 0 PART 2 C5A 1 0.483909 0.463744 0.193266 -21.00000 0.01719 0.02496 = 0.03500 -0.00312 -0.00785 0.01153 AFIX 137 H5AA 2 0.535032 0.452541 0.123872 -21.00000 -1.50000 H5AB 2 0.392066 0.442641 0.173778 -21.00000 -1.50000 H5AC 2 0.525309 0.431821 0.265003 -21.00000 -1.50000 AFIX 0 C4A 1 0.482864 0.562269 0.219568 -21.00000 0.01761 0.02680 = 0.00757 0.00380 0.00657 0.00292 AFIX 13 H4A 2 0.456365 0.596119 0.142719 -21.00000 -1.20000 AFIX 0 O1A 4 0.387656 0.581103 0.309987 -21.00000 0.01118 0.01865 = 0.02162 -0.00425 0.00329 0.00171 HKLF 4 REM ca030122_1_1_a.res in P2(1)/n REM wR2 = 0.0898, GooF = S = 1.048, Restrained GooF = 1.031 for all data REM R1 = 0.0338 for 3278 Fo > 4sig(Fo) and 0.0362 for all 3540 data REM 230 parameters refined using 130 restraints END WGHT 0.0441 0.8228 REM Highest difference peak 0.289, deepest hole -0.434, 1-sigma level 0.049 Q1 1 -0.2422 0.5222 0.0771 11.00000 0.05 0.29 Q2 1 -0.1284 0.4938 0.0080 11.00000 0.05 0.28 Q3 1 0.5867 0.6384 0.3259 11.00000 0.05 0.28 Q4 1 0.6587 0.7803 0.3440 11.00000 0.05 0.27 Q5 1 0.1573 0.6391 0.4210 11.00000 0.05 0.26 Q6 1 0.6103 0.6549 0.4416 11.00000 0.05 0.25 Q7 1 0.3896 0.6526 0.4822 11.00000 0.05 0.24 Q8 1 -0.0289 0.6115 0.1587 11.00000 0.05 0.24 Q9 1 0.8055 0.7293 0.4860 11.00000 0.05 0.24 Q10 1 0.7308 0.6568 0.5054 11.00000 0.05 0.23 Q11 1 0.5763 0.7104 0.3560 11.00000 0.05 0.23 Q12 1 0.5635 0.5603 0.2927 11.00000 0.05 0.23 Q13 1 0.0974 0.5813 0.3543 11.00000 0.05 0.23 Q14 1 -0.0401 0.5449 0.2052 11.00000 0.05 0.22 Q15 1 0.5040 0.6571 0.3848 11.00000 0.05 0.22 Q16 1 0.7663 0.7861 0.4099 11.00000 0.05 0.22 Q17 1 0.0088 0.6734 0.2368 11.00000 0.05 0.21 Q18 1 0.0818 0.6560 0.3218 11.00000 0.05 0.21 Q19 1 -0.1645 0.5943 -0.0179 11.00000 0.05 0.19 Q20 1 0.0130 0.5305 0.2974 11.00000 0.05 0.17 ; _shelx_res_checksum 69879 _shelx_hkl_file ; 0 0 1 0.11 0.19 0 0 2 679.70 19.71 0 0 3 0.26 0.24 0 0 4 350.69 10.53 0 0 5 -0.16 0.36 0 0 5 -0.44 0.76 0 0 6 1108.86 35.94 0 0 6 1190.49 33.30 0 0 7 0.13 0.45 0 0 7 0.30 0.51 0 0 -7 1.02 1.25 0 0 8 170.58 7.74 0 0 8 170.87 7.90 0 0 8 160.12 6.76 0 0 -9 -0.14 0.43 0 0 9 0.26 0.84 0 0 9 -0.25 0.79 0 0 9 0.60 1.03 0 0 9 0.49 0.65 0 0 -9 -1.49 1.82 0 0 10 2.66 1.16 0 0 10 4.82 1.50 0 0 10 4.51 0.92 0 0 10 2.86 0.89 0 0 10 1.78 1.03 0 0 -10 1.63 1.99 0 0 -11 -0.13 0.45 0 0 11 1.08 0.97 0 0 11 -0.50 0.80 0 0 12 88.03 5.22 0 0 12 97.42 5.47 0 0 13 0.46 0.43 0 0 13 -0.28 0.56 0 1 0 0.16 0.14 0 -1 0 0.16 0.14 0 -1 1 1789.35 47.55 0 1 1 1732.39 47.64 0 1 1 1661.80 47.94 0 -1 -1 1737.16 47.84 0 -1 2 1238.51 34.29 0 1 2 1257.42 35.53 0 1 3 31.54 1.54 0 1 3 33.16 2.53 0 -1 3 32.54 1.49 0 -1 4 228.77 7.23 0 1 4 232.51 7.32 0 -1 4 223.59 8.28 0 1 5 5.62 0.66 0 -1 5 4.38 0.99 0 -1 -5 4.77 1.50 0 -1 5 5.30 0.76 0 1 5 4.55 0.72 0 -1 6 16.67 1.94 0 -1 -6 22.32 3.26 0 1 6 17.51 2.58 0 1 6 20.03 1.62 0 -1 6 18.95 1.51 0 -1 -7 60.21 2.91 0 -1 -7 54.41 5.79 0 1 7 51.27 4.77 0 1 7 56.68 3.21 0 1 8 6.29 1.17 0 1 8 5.91 1.43 0 -1 8 7.28 1.53 0 1 8 6.20 1.33 0 1 8 7.44 1.52 0 -1 8 6.24 1.35 0 1 8 6.24 1.07 0 -1 8 6.54 2.02 0 -1 8 4.59 1.03 0 1 8 6.96 1.22 0 1 -8 6.92 2.27 0 1 8 6.29 1.68 0 -1 -8 7.07 2.41 0 -1 -9 258.27 9.58 0 1 -9 264.92 9.33 0 1 9 265.03 9.97 0 1 9 286.39 11.32 0 1 9 273.86 11.03 0 -1 9 265.83 11.10 0 -1 9 262.84 11.26 0 -1 9 273.18 9.27 0 -1 9 243.74 13.89 0 -1 9 258.88 9.87 0 1 9 253.76 9.54 0 -1 -9 266.25 16.25 0 1 -9 271.01 16.23 0 1 -10 142.16 5.72 0 -1 -10 138.84 6.01 0 -1 10 135.71 7.53 0 -1 10 133.71 7.21 0 1 10 138.93 7.41 0 1 10 138.77 7.21 0 1 10 134.71 10.26 0 -1 10 135.28 5.54 0 1 10 126.18 5.70 0 -1 10 137.53 6.16 0 1 -10 131.15 11.24 0 -1 -10 128.29 11.10 0 -1 -11 1.39 0.60 0 1 11 0.78 0.47 0 -1 11 4.89 1.55 0 -1 11 3.81 1.32 0 1 11 2.71 1.13 0 -1 11 4.64 1.39 0 1 11 1.58 0.95 0 -1 -12 2.93 0.62 0 1 12 4.94 1.27 0 -1 12 1.55 0.92 0 -1 12 3.64 1.18 0 1 12 3.04 1.13 0 1 13 61.55 3.11 0 -1 13 62.23 3.10 0 1 13 62.51 3.00 0 -2 0 279.56 8.81 0 -2 0 268.84 8.47 0 2 0 268.83 7.78 0 2 0 277.30 8.54 0 2 1 2256.07 60.31 0 2 1 2299.75 59.56 0 2 -1 2082.28 58.78 0 -2 -1 2211.47 60.02 0 -2 2 2346.09 62.26 0 2 2 2215.16 61.16 0 -2 -2 2290.92 62.96 0 2 2 2202.70 62.56 0 2 2 2261.37 63.20 0 -2 3 2.26 0.73 0 2 3 0.97 0.37 0 -2 -3 1.34 0.79 0 2 3 2.66 0.93 0 -2 4 415.99 12.25 0 2 4 413.53 12.50 0 -2 -4 433.91 15.59 0 -2 -5 119.24 7.28 0 2 5 118.28 4.61 0 -2 6 154.60 8.46 0 -2 -6 152.06 9.32 0 2 6 156.61 5.96 0 2 6 154.67 5.52 0 -2 -7 2.34 0.66 0 -2 7 2.03 1.15 0 2 7 3.08 1.39 0 2 7 3.50 0.82 0 -2 -7 2.69 1.42 0 2 8 90.01 5.13 0 2 8 102.80 4.98 0 -2 8 93.22 5.44 0 -2 8 88.39 5.45 0 2 8 94.86 5.42 0 2 8 93.58 5.32 0 2 8 95.55 5.41 0 -2 8 98.51 4.13 0 -2 -8 95.40 4.32 0 -2 8 98.58 4.91 0 -2 8 101.51 7.49 0 -2 -8 86.83 8.18 0 2 8 82.21 6.90 0 2 8 98.95 4.83 0 2 -8 99.02 8.48 0 -2 -9 110.78 5.30 0 2 9 113.58 5.55 0 -2 9 116.82 6.56 0 2 9 114.76 6.37 0 -2 9 112.39 6.38 0 2 9 119.94 6.35 0 2 9 113.30 6.31 0 -2 9 110.61 8.12 0 -2 9 103.57 5.38 0 -2 9 103.28 4.54 0 2 -9 110.09 9.70 0 -2 -9 97.21 9.33 0 2 10 19.15 2.05 0 -2 -10 23.95 2.19 0 -2 10 24.16 2.77 0 2 10 21.74 2.69 0 2 10 20.33 2.56 0 -2 10 24.51 2.96 0 2 10 20.38 3.94 0 -2 10 23.87 2.28 0 -2 -10 23.60 2.26 0 2 -10 23.64 4.63 0 -2 -10 19.63 4.29 0 -2 -11 24.44 2.14 0 -2 11 26.74 3.08 0 2 11 21.09 1.92 0 2 11 24.45 2.65 0 2 11 25.74 2.85 0 -2 11 28.39 3.06 0 -2 11 25.30 2.77 0 -2 -12 -0.10 0.44 0 -2 12 0.22 0.76 0 2 12 -0.21 0.74 0 -2 12 -0.23 0.82 0 2 12 -0.21 0.85 0 2 13 -0.11 0.26 0 2 13 0.41 0.59 0 -2 13 -0.14 0.64 0 -3 0 0.26 0.48 0 3 0 0.19 0.18 0 -3 1 3048.98 82.30 0 -3 -1 3057.33 81.45 0 -3 -1 3063.21 83.82 0 3 -1 2882.48 81.75 0 3 1 2933.23 83.27 0 3 1 3002.78 82.07 0 -3 -2 9.74 0.82 0 -3 -2 9.76 0.81 0 -3 -2 9.34 1.38 0 3 2 9.17 0.72 0 3 2 9.55 1.22 0 3 2 8.63 1.47 0 -3 -3 1984.13 55.70 0 3 3 1919.42 52.71 0 3 3 1851.55 55.95 0 3 3 1924.62 53.15 0 -3 4 204.92 6.35 0 3 4 217.39 7.01 0 -3 -4 226.10 9.96 0 3 4 224.42 9.89 0 3 4 213.79 7.29 0 -3 5 184.95 8.45 0 -3 5 177.39 5.71 0 -3 -5 168.90 9.37 0 3 5 184.14 6.39 0 -3 -6 20.17 1.70 0 -3 6 23.78 1.44 0 -3 6 26.57 3.06 0 3 6 22.64 1.78 0 -3 -6 24.12 3.55 0 3 7 88.33 4.61 0 -3 7 84.05 4.98 0 3 7 82.62 4.61 0 -3 7 87.95 4.98 0 -3 -7 85.18 4.11 0 -3 7 80.19 6.14 0 -3 7 79.60 3.44 0 3 7 91.30 7.42 0 3 7 81.25 4.42 0 3 7 91.90 4.37 0 -3 -7 91.08 7.70 0 3 8 3.47 1.04 0 3 8 2.26 0.78 0 -3 -8 2.68 0.74 0 3 8 2.02 0.88 0 -3 8 2.28 1.10 0 3 8 2.18 0.87 0 -3 8 1.45 0.94 0 3 8 3.59 1.14 0 3 8 1.49 0.80 0 -3 8 1.96 0.50 0 -3 -8 1.13 0.55 0 -3 8 2.15 1.14 0 -3 8 4.54 1.13 0 -3 -8 3.35 1.89 0 3 8 3.11 0.93 0 3 8 5.45 2.04 0 3 9 425.79 15.64 0 3 9 429.85 15.05 0 3 9 468.91 16.35 0 3 9 450.53 16.06 0 -3 9 451.19 16.61 0 3 9 433.78 15.97 0 -3 9 440.00 16.34 0 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27.38 1.40 0 -4 -3 31.59 3.01 0 4 3 29.78 1.95 0 4 3 32.14 3.25 0 4 3 29.87 1.64 0 -4 -4 5.26 0.81 0 4 4 5.05 0.72 0 4 4 2.99 1.37 0 -4 -4 5.28 1.62 0 -4 5 263.03 8.07 0 -4 -5 269.91 9.15 0 -4 5 274.65 11.12 0 -4 -5 283.79 13.20 0 4 5 268.76 9.43 0 4 5 289.77 9.08 0 -4 -6 25.67 1.97 0 -4 -6 23.78 1.95 0 -4 6 19.94 1.27 0 -4 6 24.11 2.90 0 -4 -6 18.96 3.35 0 4 6 22.74 1.84 0 4 7 42.11 3.11 0 4 7 46.81 3.32 0 -4 7 46.13 3.65 0 -4 7 45.13 3.51 0 -4 7 45.51 4.35 0 -4 -7 43.31 2.91 0 -4 -7 43.43 2.90 0 4 7 45.50 2.76 0 4 7 40.79 3.02 0 4 7 51.05 3.07 0 -4 -7 49.82 5.77 0 4 8 170.89 7.14 0 -4 -8 153.59 6.51 0 -4 -8 157.97 6.75 0 4 8 151.49 7.13 0 4 8 157.17 7.30 0 4 8 172.83 7.74 0 -4 8 152.08 7.71 0 4 8 150.24 7.25 0 -4 8 146.83 7.76 0 -4 -8 162.66 6.82 0 -4 -8 156.39 6.65 0 -4 8 159.39 8.10 0 4 8 159.60 7.21 0 -4 -8 143.50 11.04 0 4 8 165.17 6.91 0 4 8 161.11 11.15 0 -4 -9 39.88 3.06 0 4 9 43.99 3.48 0 4 9 43.45 3.25 0 4 9 47.68 3.71 0 4 9 41.63 3.55 0 -4 9 45.32 3.98 0 -4 9 46.79 4.04 0 4 9 47.80 3.85 0 -4 -9 39.52 2.83 0 -4 9 47.57 3.50 0 -4 9 38.14 3.88 0 -4 -9 44.37 3.12 0 4 9 50.80 5.89 0 4 9 49.98 3.40 0 -4 -9 44.35 6.18 0 4 -9 40.33 5.78 0 4 10 262.68 9.99 0 -4 10 266.59 11.46 0 4 10 255.16 10.89 0 4 10 266.40 10.87 0 -4 10 266.57 11.30 0 -4 10 269.24 11.68 0 -4 -10 228.93 15.32 0 4 -10 232.23 15.19 0 -4 11 46.20 4.01 0 4 11 52.70 3.82 0 4 11 48.45 3.78 0 -4 -12 41.96 2.52 0 4 12 40.69 3.08 0 -4 12 41.74 3.33 0 4 13 18.92 1.63 0 -4 13 17.54 1.67 0 -5 0 0.42 0.70 0 -5 0 0.15 0.36 0 5 0 0.13 0.26 0 5 0 -0.19 0.62 0 -5 1 6.88 1.23 0 -5 -1 6.28 0.77 0 -5 1 5.09 0.76 0 -5 -1 5.05 1.32 0 5 1 6.23 1.39 0 5 1 5.62 0.55 0 5 -1 4.87 0.44 0 -5 -1 5.60 0.76 0 -5 -1 6.06 1.22 0 -5 -2 1.05 0.52 0 -5 2 0.26 0.38 0 5 2 1.11 0.96 0 5 -2 0.71 0.37 0 -5 -2 0.60 0.42 0 -5 -2 0.67 0.70 0 -5 -3 410.20 12.30 0 -5 3 359.61 11.49 0 5 3 393.05 11.69 0 -5 -3 405.19 14.83 0 5 3 394.73 12.56 0 5 -3 389.92 11.43 0 5 3 396.31 15.73 0 -5 -4 1124.80 32.91 0 -5 -4 1182.43 33.27 0 -5 -4 1165.22 37.14 0 5 4 1172.90 33.58 0 5 4 1151.78 32.72 0 -5 -5 89.88 4.28 0 -5 -5 86.16 4.04 0 -5 -5 83.51 6.52 0 5 5 84.39 4.29 0 5 5 87.36 3.92 0 -5 -6 11.06 1.36 0 -5 -6 11.33 2.79 0 5 6 11.04 1.34 0 -5 -7 5.04 1.04 0 5 7 6.59 1.29 0 5 7 8.05 1.30 0 -5 7 7.12 1.52 0 5 7 7.05 1.31 0 -5 7 7.44 1.54 0 5 7 6.68 1.26 0 -5 -7 5.97 1.10 0 -5 7 8.29 1.42 0 -5 7 7.46 1.61 0 -5 -7 9.08 1.42 0 5 7 4.69 1.02 0 -5 -7 4.88 2.12 0 5 7 3.76 1.88 0 5 8 11.13 1.68 0 -5 -8 10.85 1.46 0 -5 -8 13.62 1.69 0 -5 8 11.09 1.95 0 -5 8 14.54 2.23 0 5 8 12.21 1.80 0 5 8 13.83 1.95 0 -5 -8 11.90 1.55 0 -5 8 17.03 2.06 0 -5 8 14.52 2.23 0 -5 -8 9.85 1.47 0 5 8 8.83 2.74 0 -5 -8 13.93 3.35 0 5 8 13.43 1.84 0 5 8 13.17 1.70 0 -5 -9 39.32 3.04 0 5 9 44.72 3.29 0 5 9 46.95 3.57 0 5 9 43.09 3.43 0 -5 9 43.13 3.82 0 5 9 43.31 3.59 0 5 9 49.59 3.83 0 -5 9 42.83 3.90 0 -5 -9 41.30 2.99 0 -5 -9 41.22 2.99 0 -5 9 40.03 3.89 0 5 -9 33.15 5.06 0 -5 -9 52.14 6.59 0 5 9 41.55 5.64 0 5 9 41.42 3.11 0 -5 -10 76.72 4.41 0 5 10 80.58 4.54 0 -5 -10 79.34 4.10 0 -5 10 81.88 5.68 0 5 10 81.34 5.06 0 5 10 82.53 5.18 0 -5 10 84.38 5.45 0 -5 -11 0.31 0.62 0 5 11 -0.22 0.85 0 5 11 0.21 0.75 0 -5 11 -0.26 0.95 0 5 12 14.92 1.76 0 -5 12 13.81 1.87 0 5 13 2.06 0.59 0 -5 13 2.81 0.79 0 -6 0 454.56 13.74 0 -6 0 454.10 16.23 0 6 0 444.18 13.42 0 6 0 444.62 12.76 0 -6 -1 11.23 1.19 0 -6 -1 10.51 1.94 0 -6 1 9.31 1.06 0 6 1 8.20 1.74 0 -6 -1 11.70 1.81 0 6 1 9.21 0.78 0 -6 2 165.70 6.99 0 -6 -2 179.61 6.26 0 -6 -2 178.51 6.44 0 6 2 161.29 5.65 0 6 -2 166.57 6.46 0 -6 -2 192.56 8.57 0 6 2 181.58 9.21 0 -6 -3 28.17 2.07 0 6 -3 25.93 1.61 0 6 3 28.16 3.56 0 6 3 25.46 2.12 0 -6 -4 384.08 12.33 0 -6 -4 388.13 12.75 0 6 4 395.98 12.05 0 6 4 358.70 12.93 0 -6 -5 37.09 2.66 0 -6 -5 34.93 2.39 0 6 5 31.55 2.19 0 -6 -5 31.84 4.04 0 -6 -6 108.05 5.08 0 6 6 114.68 5.44 0 -6 6 114.34 6.07 0 6 6 110.12 5.37 0 -6 6 121.83 6.34 0 -6 6 112.15 5.63 0 -6 -6 117.56 5.28 0 -6 -6 122.23 8.94 0 6 6 124.40 5.22 0 -6 -7 1.01 0.65 0 -6 -7 0.33 0.54 0 6 7 1.72 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6 4.02 0.70 2 4 6 2.21 0.82 2 4 6 5.11 0.96 -2 -4 -6 0.59 1.31 2 4 6 4.47 1.77 -2 -4 -7 78.11 4.12 2 4 7 80.10 4.32 2 4 7 69.31 4.27 2 4 7 76.41 4.31 2 -4 7 82.43 4.68 2 4 7 66.17 4.48 2 -4 7 75.16 4.45 2 -4 7 85.79 3.75 2 -4 7 69.85 4.83 -2 -4 -7 73.88 3.84 2 4 7 73.80 4.17 -2 -4 -7 78.29 7.94 -2 4 -7 77.82 7.08 2 4 8 7.00 1.40 2 4 8 6.48 1.13 2 4 8 5.14 1.20 2 -4 8 4.90 1.23 -2 -4 -8 5.77 1.08 2 -4 8 5.50 1.47 2 -4 8 4.49 1.38 2 -4 8 4.92 1.24 2 -4 8 6.31 0.97 2 4 8 4.60 2.18 2 4 8 7.19 1.10 -2 4 -8 5.22 2.17 -2 -4 -8 9.30 3.10 2 4 9 81.02 4.74 2 4 9 75.75 4.02 -2 -4 -9 75.12 4.17 2 -4 9 79.44 4.87 2 4 9 73.37 4.56 2 -4 9 76.53 5.24 2 4 9 77.26 5.16 2 -4 9 81.78 5.54 2 -4 9 85.54 4.96 -2 -4 -9 93.24 9.27 -2 4 -9 80.41 8.15 -2 -4 -10 4.01 1.05 2 4 10 3.28 0.89 2 -4 10 5.21 1.39 2 4 10 4.56 0.91 2 -4 10 5.83 1.50 2 4 10 4.55 1.34 2 -4 10 5.37 1.21 2 -4 10 7.24 1.68 2 4 10 5.70 1.22 -2 -4 -11 5.36 1.09 2 -4 11 7.12 1.49 2 4 11 5.88 1.44 2 -4 12 48.62 3.18 2 4 12 53.23 3.37 2 4 13 0.69 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7 10.99 2.74 2 -5 -7 16.82 3.18 -2 5 7 14.73 1.84 2 -5 -6 7.39 1.34 -2 5 6 6.68 1.09 -2 5 6 7.90 1.19 2 -5 -6 4.35 1.58 -2 5 6 4.62 1.86 2 -5 -5 5.94 1.07 -2 5 5 3.09 0.72 2 -5 -5 4.15 1.47 -2 5 5 6.15 1.61 -2 5 5 6.59 1.92 -2 5 5 4.63 0.93 2 -5 -4 42.64 2.80 -2 5 4 47.98 3.97 -2 5 4 49.35 2.60 -2 5 4 51.96 4.81 2 -5 -4 49.87 3.97 2 -5 -3 132.38 5.34 2 5 -3 134.03 5.11 2 5 -3 126.91 4.73 -2 5 3 131.51 6.68 -2 5 3 136.84 4.92 2 -5 -3 139.87 6.30 -2 5 3 129.09 7.46 2 -5 -2 5.66 0.92 2 -5 -2 6.10 0.98 -2 5 2 7.93 1.30 2 5 -2 5.51 0.83 -2 5 2 6.54 0.76 2 5 -2 6.98 0.98 2 -5 -1 37.28 2.21 -2 5 1 37.85 2.71 2 5 -1 38.38 2.24 2 -5 0 124.87 4.82 -2 5 0 130.05 5.55 2 5 0 126.46 5.10 2 5 0 113.12 6.58 -2 -5 -1 0.35 0.85 2 -5 1 0.23 0.29 -2 -5 -1 0.29 0.76 2 5 1 0.73 0.60 2 5 1 0.62 1.03 2 -5 2 281.03 8.75 -2 -5 -2 289.70 9.78 -2 -5 -2 287.78 13.12 2 5 2 284.95 13.06 -2 -5 -2 312.21 12.74 2 5 2 277.12 9.89 2 5 2 281.93 8.63 -2 -5 -3 104.61 4.74 -2 -5 -3 109.07 7.48 2 -5 3 100.90 3.87 2 5 3 104.17 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9 17.31 2.08 2 5 9 16.42 2.31 2 -5 9 18.22 2.47 2 5 9 20.53 2.46 2 -5 9 20.71 2.34 2 -5 9 19.30 2.33 2 -5 9 22.15 2.78 -2 5 -9 23.43 4.15 -2 -5 -10 0.69 0.67 2 -5 10 -0.21 0.81 2 5 10 2.06 0.73 2 5 10 0.92 0.47 2 -5 10 0.28 0.95 2 5 10 0.19 0.72 2 5 10 0.70 0.80 2 5 10 0.49 0.81 -2 -5 -11 4.80 0.98 2 5 11 6.35 1.06 2 -5 11 6.20 1.41 2 5 11 8.39 1.54 -2 -5 -12 8.25 1.03 2 -5 12 8.28 1.34 2 5 12 6.41 1.17 2 5 13 17.18 1.25 2 -6 -13 14.31 1.08 -2 -6 13 13.52 1.26 -2 6 13 14.21 1.25 2 -6 -12 89.87 3.88 -2 -6 12 90.91 4.73 -2 6 12 91.11 4.60 -2 6 12 83.90 4.00 2 -6 -11 3.96 0.95 -2 6 11 5.10 1.22 -2 -6 11 3.44 1.28 -2 6 11 5.01 1.21 -2 6 11 6.07 1.22 -2 -6 11 5.24 1.31 2 -6 -10 120.61 5.72 2 -6 -10 113.38 5.10 -2 6 10 116.39 6.08 -2 6 10 118.17 6.35 -2 6 10 117.71 6.06 -2 -6 10 116.94 6.81 2 -6 -10 111.35 5.68 -2 -6 10 124.03 6.96 2 -6 -10 121.51 5.95 -2 6 10 107.88 5.56 2 -6 -9 16.79 1.97 -2 6 9 15.47 2.16 2 -6 -9 16.49 1.84 -2 6 9 15.09 2.10 -2 -6 9 13.07 2.23 -2 6 9 14.42 2.02 -2 6 9 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0.80 -2 11 5 0.34 0.64 2 -11 -5 0.28 0.78 2 -11 -5 -0.24 0.63 -2 11 5 0.33 0.49 -2 11 5 0.29 0.96 -2 11 4 404.32 13.92 2 -11 -4 429.09 15.70 2 -11 -4 392.99 14.47 2 -11 -4 414.45 13.83 -2 11 4 374.33 13.52 -2 -11 4 402.60 16.45 2 -11 -4 423.61 15.79 2 -11 -4 386.20 14.71 2 -11 -4 403.86 15.19 2 11 -4 415.32 13.98 -2 11 4 407.73 13.52 -2 11 4 408.59 15.65 2 -11 -3 2.46 0.81 2 -11 -3 2.46 1.06 2 -11 -3 1.24 0.88 -2 -11 3 1.50 1.19 2 -11 -3 2.33 1.01 2 -11 -3 2.24 1.05 2 -11 -3 1.42 0.94 2 11 -3 3.12 1.02 -2 11 3 1.00 0.62 2 11 -3 0.44 0.76 -2 -11 2 259.43 10.22 2 -11 -2 264.19 10.16 2 -11 -2 271.47 11.19 2 -11 -2 266.31 9.42 -2 -11 2 262.95 12.44 2 -11 -2 253.90 11.16 -2 -11 2 265.87 13.61 2 -11 -2 246.05 10.56 -2 11 2 258.00 9.22 -2 11 2 275.03 15.60 2 11 -2 279.10 10.90 2 11 -2 258.41 10.86 2 -11 -1 207.68 9.19 2 -11 -1 208.33 8.29 -2 -11 1 201.80 8.71 2 -11 -1 196.65 7.43 -2 -11 1 191.08 10.31 2 -11 -1 209.78 8.76 -2 -11 1 211.53 12.38 2 -11 -1 187.74 9.03 -2 11 1 197.93 7.32 -2 11 1 218.39 12.95 2 11 -1 193.38 9.28 -2 -11 0 3.26 1.09 2 -11 0 2.97 0.86 -2 -11 0 1.90 1.14 2 -11 0 4.10 1.12 2 -11 0 2.51 0.94 -2 -11 0 2.50 1.65 2 -11 0 6.05 1.43 2 11 0 3.47 1.23 -2 11 0 4.28 0.79 2 11 0 2.79 1.58 2 11 0 3.54 1.22 -2 -11 -1 9.61 1.71 -2 -11 -1 12.23 1.47 2 -11 1 8.53 1.28 -2 -11 -1 12.84 2.43 2 -11 1 11.41 1.63 2 11 1 9.90 2.01 2 11 1 7.86 2.71 -2 11 -1 10.32 1.12 -2 -11 -2 268.90 11.51 -2 -11 -2 278.27 10.38 2 11 2 283.45 10.82 2 -11 2 298.60 10.66 2 -11 2 278.20 9.74 2 -11 2 289.23 11.28 -2 11 -2 283.51 9.34 2 11 2 290.60 16.81 2 11 2 297.19 12.47 -2 -11 -3 11.37 1.63 -2 -11 -3 12.64 1.33 -2 -11 -3 10.04 1.86 2 11 3 12.07 1.68 -2 -11 -3 7.87 1.94 2 11 3 10.20 1.56 2 -11 3 8.06 1.27 2 -11 3 11.15 1.69 -2 -11 -4 18.57 1.77 -2 -11 -4 23.39 2.75 -2 -11 -4 22.50 2.35 2 11 4 18.16 2.18 2 11 4 20.70 2.26 -2 -11 -4 17.04 2.26 2 -11 4 18.74 2.02 2 11 4 15.75 4.13 -2 -11 -5 22.73 2.40 -2 -11 -5 21.31 2.00 -2 -11 -5 19.44 2.58 2 11 5 23.61 2.50 2 11 5 24.32 2.42 2 11 5 23.61 2.36 -2 -11 -5 21.56 2.42 2 11 5 19.08 4.49 -2 -11 -6 46.08 3.11 -2 -11 -6 44.39 3.51 2 11 6 48.39 3.63 2 11 6 47.14 3.52 -2 -11 -6 48.84 3.49 2 11 6 53.64 7.43 2 11 7 11.53 1.72 2 11 7 7.93 1.52 2 11 7 12.20 1.54 -2 -11 -7 10.79 1.80 2 11 7 9.97 1.60 2 11 7 11.80 1.73 2 11 7 11.40 1.75 2 11 7 13.28 1.99 -2 -11 -8 24.41 2.24 2 11 8 24.21 2.30 -2 -11 -8 22.08 1.99 2 11 8 26.27 2.27 -2 -11 -8 19.75 1.69 2 11 8 19.84 2.08 2 11 8 21.59 2.21 2 11 9 2.78 0.96 2 11 9 3.40 0.89 2 11 9 2.84 0.75 2 11 9 2.16 0.81 -2 -11 -9 3.12 0.78 2 11 10 23.92 1.88 -2 -11 -10 23.80 1.64 -2 12 10 97.81 4.22 2 -12 -10 93.13 3.65 -2 12 10 95.77 4.10 2 -12 -10 90.55 3.82 -2 12 9 7.69 1.28 -2 12 9 9.31 1.36 -2 12 9 7.61 1.22 2 -12 -9 6.39 1.08 2 -12 -9 8.51 1.17 2 -12 -8 6.28 1.24 -2 12 8 6.51 1.31 2 -12 -8 6.75 1.17 -2 12 8 4.45 1.22 -2 12 8 6.26 1.29 -2 12 8 5.32 0.99 2 -12 -8 5.48 1.28 -2 12 8 6.61 1.03 2 -12 -7 51.89 3.68 -2 12 7 48.87 3.49 2 -12 -7 47.72 3.24 -2 12 7 47.11 3.57 2 -12 -7 43.44 3.78 2 -12 -7 50.43 3.45 -2 12 7 48.22 3.05 -2 12 7 51.76 3.47 -2 12 6 11.94 1.82 2 -12 -6 11.39 1.58 2 -12 -6 11.35 1.83 2 -12 -6 11.18 1.98 -2 12 6 13.52 2.17 -2 12 6 9.61 3.16 -2 12 6 11.89 1.47 -2 12 6 12.98 1.71 -2 12 5 7.05 1.28 2 -12 -5 5.69 1.31 -2 12 5 5.78 1.16 2 -12 -5 4.06 1.27 2 -12 -5 4.31 1.32 -2 12 5 7.51 1.75 -2 12 5 4.66 0.98 2 -12 -4 68.91 4.59 2 -12 -4 76.81 4.21 -2 12 4 74.38 4.13 2 -12 -4 81.88 5.10 2 -12 -4 77.04 5.26 -2 12 4 77.42 4.04 -2 12 4 71.35 4.18 -2 12 4 77.46 5.51 -2 -12 3 556.97 18.03 2 -12 -3 580.01 19.95 2 -12 -3 567.14 18.77 2 -12 -3 548.92 17.63 -2 12 3 542.66 17.77 -2 -12 3 532.40 21.13 2 -12 -3 538.22 19.45 2 -12 -3 526.66 18.98 2 -12 -3 571.48 20.06 -2 12 3 541.31 17.36 -2 12 3 563.21 20.14 2 12 -3 602.28 19.13 2 -12 -2 171.63 6.70 2 -12 -2 173.27 7.57 -2 -12 2 164.49 7.53 2 -12 -2 157.43 8.14 -2 -12 2 151.85 9.32 2 -12 -2 166.65 7.88 2 -12 -2 165.49 8.08 2 -12 -2 163.92 8.52 -2 12 2 158.85 6.45 2 12 -2 167.59 8.09 2 12 -2 168.48 8.25 -2 -12 1 28.99 2.82 2 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12 6 15.83 2.00 -2 -12 -6 14.66 1.60 2 12 6 14.50 1.92 2 12 6 15.14 1.89 -2 -12 -6 12.52 1.77 2 12 7 -0.38 0.78 2 12 7 0.35 0.67 -2 -12 -7 0.27 0.53 2 12 7 -0.18 0.63 -2 -12 -7 0.21 0.70 2 12 7 -0.18 0.73 2 12 7 -0.45 0.68 2 12 7 -0.20 0.54 2 12 8 45.85 3.03 -2 -12 -8 42.28 2.87 2 12 8 44.33 2.82 -2 -12 -8 43.11 2.36 2 12 8 42.85 2.99 2 12 9 1.03 0.50 -2 -12 -9 0.82 0.53 -2 -12 -9 0.45 0.41 2 12 9 -0.23 0.60 2 12 9 0.26 0.54 2 12 10 51.71 2.53 -2 13 10 2.65 0.54 2 -13 -10 2.11 0.41 -2 13 10 2.60 0.56 -2 13 9 0.82 0.58 2 -13 -9 1.34 0.47 2 -13 -9 1.22 0.56 -2 13 9 1.84 0.66 -2 13 9 2.77 0.77 -2 13 8 0.93 0.68 -2 13 8 0.14 0.52 2 -13 -8 0.72 0.56 2 -13 -8 0.44 0.59 -2 13 8 2.23 0.83 2 -13 -7 50.97 3.10 2 -13 -7 48.33 3.38 -2 13 7 53.23 3.43 -2 13 7 56.19 2.99 -2 13 7 46.91 3.43 2 -13 -7 48.22 3.25 2 -13 -7 45.36 3.74 -2 13 6 5.92 1.11 2 -13 -6 5.96 1.36 -2 13 6 5.18 1.37 2 -13 -6 6.48 1.54 -2 13 6 5.58 1.40 -2 13 6 6.76 1.06 2 -13 -5 252.23 9.35 2 -13 -5 249.75 10.23 -2 13 5 255.68 9.27 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32.10 2.77 -5 3 -7 26.73 4.08 -5 -3 -8 16.98 1.92 5 3 8 10.99 1.79 5 -3 8 16.13 1.94 5 3 8 16.88 2.41 5 -3 8 20.36 2.34 5 -3 8 17.21 2.05 5 3 8 14.21 1.85 5 -3 8 15.70 1.82 -5 -3 -8 12.39 3.52 -5 -3 -9 17.70 1.80 5 -3 9 16.27 2.09 5 3 9 17.17 1.93 5 -3 9 14.70 1.60 5 3 9 12.93 1.84 5 3 9 19.45 2.49 -5 -3 -10 133.27 5.19 5 -3 10 140.87 6.26 5 3 10 128.17 5.81 5 3 10 140.65 6.82 5 3 10 143.56 6.24 -5 -3 -11 0.56 0.48 5 3 11 0.11 0.28 5 -3 11 0.12 0.54 5 3 11 0.34 0.39 5 -4 -13 4.31 0.52 -5 4 13 4.41 0.66 5 -4 -13 4.88 0.61 5 -4 -12 135.98 4.95 -5 4 12 125.92 5.36 -5 -4 12 123.88 4.90 5 -4 -11 25.47 1.82 5 -4 -11 28.20 2.26 -5 4 11 28.71 2.65 -5 -4 11 25.31 2.62 -5 -4 11 21.09 2.18 5 -4 -11 25.36 2.43 5 4 -11 25.07 2.07 5 -4 -10 51.28 3.17 5 -4 -10 48.71 3.33 -5 4 10 52.25 3.93 -5 -4 10 51.43 4.14 5 -4 -10 53.82 3.96 -5 -4 10 46.68 3.64 5 -4 -10 49.91 3.48 5 -4 -9 172.71 7.32 -5 4 9 172.39 8.33 -5 -4 9 183.01 8.86 5 -4 -9 178.00 8.39 -5 -4 9 180.34 8.28 -5 4 9 167.84 13.24 -5 4 9 165.62 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25.09 2.69 5 9 -7 27.79 2.33 -5 9 7 26.99 2.64 5 -9 -7 26.04 2.86 5 -9 -7 23.11 2.30 -5 9 7 28.20 5.01 5 -9 -7 24.71 2.67 -5 9 7 29.22 2.56 -5 9 7 33.49 5.38 5 -9 -6 328.95 11.64 5 -9 -6 278.24 10.76 5 9 -6 302.74 11.05 -5 9 6 314.73 11.31 5 -9 -6 317.10 11.87 -5 -9 6 287.42 12.69 -5 9 6 306.70 11.62 5 -9 -6 322.57 12.64 -5 9 6 302.16 17.66 5 -9 -6 285.13 11.83 -5 9 6 310.88 11.32 -5 9 6 286.42 17.50 -5 9 6 282.72 11.35 5 -9 -5 33.58 2.86 -5 9 5 32.17 2.96 5 -9 -5 33.12 2.56 5 -9 -5 25.43 2.68 5 9 -5 25.79 2.43 -5 9 5 28.12 2.46 -5 9 5 39.30 3.04 -5 -9 5 29.22 3.61 5 -9 -5 27.44 3.02 -5 9 5 35.87 5.26 5 -9 -5 30.68 2.92 -5 -9 5 31.68 4.68 -5 9 5 27.42 2.50 -5 9 5 22.20 4.40 5 9 -5 29.35 2.31 5 -9 -4 43.34 3.26 -5 9 4 41.48 3.30 5 -9 -4 41.35 2.90 5 -9 -4 46.74 3.61 5 9 -4 38.96 3.05 -5 9 4 40.98 3.09 5 -9 -4 37.07 3.45 -5 9 4 33.58 4.73 5 -9 -4 43.63 3.43 -5 9 4 45.34 5.17 -5 9 4 42.97 3.13 -5 9 4 39.84 5.72 5 9 -4 44.06 2.92 -5 -9 3 5.37 1.76 -5 9 3 9.98 1.51 5 -9 -3 8.26 1.39 -5 -9 3 7.23 1.37 5 9 -3 8.49 1.42 5 -9 -3 11.11 1.73 5 -9 -3 8.10 1.27 -5 9 3 7.69 1.26 -5 9 3 14.11 3.36 -5 9 3 13.30 2.68 5 -9 -3 10.87 1.89 5 9 -3 8.11 1.22 5 -9 -2 285.66 10.06 -5 -9 2 281.66 11.12 5 -9 -2 290.39 11.10 5 9 -2 296.43 10.71 5 -9 -2 283.90 10.53 -5 -9 2 284.20 13.52 5 -9 -2 280.06 10.68 5 -9 -2 278.72 10.59 -5 9 2 288.93 10.36 -5 9 2 285.44 15.57 5 9 -2 267.89 10.76 5 9 -2 294.42 11.64 -5 9 2 287.06 13.66 5 9 -1 17.66 1.93 5 -9 -1 17.87 1.72 5 9 -1 12.16 1.68 -5 -9 1 16.06 2.90 5 -9 -1 16.29 1.92 5 -9 -1 14.55 1.68 -5 -9 1 20.02 4.25 -5 9 1 16.25 1.79 -5 9 1 14.92 2.61 -5 9 1 17.27 3.38 5 9 -1 16.25 2.18 5 9 -1 16.61 2.27 -5 -9 0 380.73 14.72 -5 -9 0 400.67 13.03 5 -9 0 402.52 12.98 5 9 0 393.69 13.65 -5 -9 0 392.66 16.89 5 -9 0 393.43 13.61 5 -9 0 388.66 13.01 -5 -9 0 404.96 21.52 -5 9 0 428.18 18.73 -5 9 0 378.93 16.31 5 9 0 401.40 14.95 -5 -9 -1 0.53 0.84 5 9 1 2.37 0.83 -5 -9 -1 1.71 0.68 -5 -9 -1 4.09 1.73 5 -9 1 1.94 0.78 -5 -9 -1 3.40 2.25 -5 9 -1 3.40 1.36 -5 9 -1 1.96 1.29 5 9 1 1.41 0.89 5 9 1 2.73 1.28 -5 -9 -2 206.37 9.57 -5 -9 -2 207.77 8.27 5 9 2 217.63 9.35 5 -9 2 203.95 8.07 5 9 2 204.15 7.48 5 -9 2 209.21 7.52 -5 -9 -2 226.32 15.52 5 -9 2 199.99 7.78 -5 9 -2 213.50 11.15 5 9 2 183.25 9.35 -5 9 -2 206.52 10.63 5 9 2 207.32 9.55 -5 -9 -3 11.52 2.02 5 9 3 8.38 1.67 5 9 3 9.71 1.48 -5 -9 -3 7.70 1.38 -5 -9 -3 7.83 1.95 5 9 3 8.77 1.24 5 -9 3 8.66 1.20 5 -9 3 8.09 1.07 -5 -9 -3 7.15 2.97 -5 9 -3 11.72 2.18 5 9 3 6.96 1.75 5 9 3 9.23 1.77 -5 -9 -4 2.25 1.13 5 9 4 3.85 1.21 5 9 4 5.09 1.06 5 9 4 3.12 1.08 5 9 4 3.23 1.05 5 9 4 4.04 1.26 -5 -9 -4 1.66 1.00 -5 -9 -4 2.97 0.95 5 9 4 4.07 0.94 -5 -9 -4 2.67 1.99 5 9 4 5.40 1.56 -5 -9 -5 2.71 1.09 5 9 5 3.21 1.13 5 9 5 2.30 0.98 5 9 5 1.44 0.82 5 9 5 2.27 1.15 -5 -9 -5 3.26 1.06 5 9 5 3.16 1.01 5 9 5 2.10 0.78 5 -9 5 2.95 1.06 5 9 5 2.30 1.22 5 9 5 2.56 1.04 5 9 6 204.77 8.29 -5 -9 -6 243.41 9.34 -5 -9 -6 231.99 9.78 5 9 6 229.66 9.32 5 9 6 222.74 9.17 5 9 6 219.41 9.09 5 9 6 222.93 8.80 5 9 6 222.61 9.84 5 9 6 213.03 8.85 -5 -9 -7 49.57 3.52 -5 -9 -7 45.00 3.26 5 9 7 51.87 3.48 5 9 7 39.22 2.94 -5 -9 -8 60.24 3.29 -5 -9 -8 62.22 3.38 -5 -9 -8 62.03 3.66 5 9 8 61.06 3.92 5 9 8 70.79 3.99 5 9 8 64.07 3.59 5 9 8 63.68 3.39 -5 -9 -9 1.02 0.51 -5 -9 -9 1.67 0.59 5 9 9 1.43 0.63 -5 -9 -10 11.90 0.96 5 9 10 10.41 0.99 5 -10 -11 10.91 0.83 5 -10 -10 53.37 2.55 5 -10 -10 70.33 3.16 5 -10 -9 7.55 1.03 -5 10 9 7.62 1.29 5 -10 -9 7.14 1.15 5 -10 -9 7.40 0.91 5 -10 -8 38.28 2.90 -5 10 8 40.76 3.24 5 -10 -8 43.72 2.72 -5 10 8 44.35 3.16 5 -10 -8 40.52 3.30 5 -10 -8 37.94 2.64 5 -10 -8 37.93 3.18 -5 10 8 40.18 2.82 5 -10 -7 43.06 3.17 5 -10 -7 39.98 2.75 5 -10 -7 38.47 3.12 5 10 -7 35.71 2.42 -5 10 7 36.12 3.04 5 -10 -7 35.21 3.33 5 -10 -7 41.70 3.42 -5 10 7 37.00 2.84 5 -10 -6 18.40 2.12 -5 10 6 16.70 2.15 5 -10 -6 19.54 1.91 5 10 -6 17.85 1.81 5 -10 -6 15.93 2.18 -5 10 6 16.49 1.90 -5 10 6 16.58 2.10 -5 -10 6 20.16 2.68 5 -10 -6 20.15 2.52 -5 10 6 18.44 3.71 5 -10 -6 18.06 2.29 -5 10 6 17.04 1.92 -5 10 6 12.82 3.43 -5 10 6 15.27 2.04 -5 10 5 5.15 1.06 5 -10 -5 6.48 1.12 -5 10 5 5.32 1.34 5 -10 -5 7.78 1.37 5 -10 -5 6.51 1.44 5 10 -5 6.56 1.20 -5 -10 5 5.52 1.73 -5 10 5 6.28 1.37 5 -10 -5 6.39 1.42 -5 10 5 4.88 1.14 -5 10 5 5.55 2.38 -5 10 5 5.32 1.99 5 -10 -5 4.16 1.37 5 -10 -4 31.84 2.72 -5 10 4 27.47 2.62 5 -10 -4 26.58 2.20 5 -10 -4 32.06 2.97 5 10 -4 31.41 2.54 -5 10 4 29.48 2.61 5 -10 -4 25.18 2.67 -5 -10 4 26.42 4.45 -5 10 4 26.47 2.42 -5 10 4 20.56 4.23 -5 10 4 20.17 3.46 5 -10 -3 35.77 2.58 -5 10 3 40.88 3.03 -5 -10 3 42.50 3.17 5 -10 -3 42.93 3.39 5 10 -3 42.34 3.07 5 -10 -3 39.70 3.06 -5 -10 3 45.89 4.75 -5 -10 3 28.53 5.03 -5 10 3 39.33 2.96 -5 10 3 49.60 6.27 -5 10 3 33.84 4.26 5 -10 -2 152.71 6.26 -5 -10 2 156.51 7.34 5 10 -2 154.97 6.85 5 10 -2 160.81 7.12 -5 -10 2 152.15 9.39 5 -10 -2 142.31 6.93 5 -10 -2 151.50 6.97 -5 -10 2 129.84 11.24 5 10 -2 155.23 7.21 -5 10 2 159.15 6.75 -5 10 2 143.25 11.01 5 10 -2 157.25 7.86 -5 10 2 149.47 9.20 5 10 -1 34.34 2.82 5 -10 -1 39.45 2.55 5 -10 -1 38.02 2.84 5 10 -1 36.15 2.93 -5 -10 1 41.38 4.60 5 -10 -1 37.08 3.02 5 -10 -1 33.17 2.75 -5 10 1 45.25 3.03 -5 10 1 42.02 5.37 5 10 -1 38.08 3.38 5 10 -1 32.01 3.38 -5 10 1 45.94 4.54 -5 -10 0 3.20 1.20 -5 -10 0 4.79 0.90 5 10 0 3.72 1.04 5 10 0 4.80 1.13 -5 -10 0 2.64 1.59 5 -10 0 5.50 1.22 5 -10 0 7.95 1.19 -5 -10 0 5.18 2.44 -5 10 0 4.98 1.58 -5 10 0 5.76 2.00 5 10 0 5.37 1.63 -5 -10 -1 124.26 5.67 5 10 1 122.40 6.02 -5 -10 -1 128.96 7.03 5 10 1 118.43 5.64 -5 -10 -1 122.42 8.17 5 -10 1 119.51 5.78 5 -10 1 133.76 5.26 -5 -10 -1 127.17 11.31 5 -10 1 129.50 5.66 -5 10 -1 106.65 8.30 5 10 1 118.11 7.03 -5 10 -1 119.18 7.52 5 10 1 139.29 7.39 -5 -10 -2 42.23 3.07 -5 -10 -2 43.72 3.81 5 10 2 40.96 3.60 5 -10 2 38.53 2.80 -5 -10 -2 37.11 6.16 5 -10 2 38.35 2.65 5 10 2 35.75 3.70 5 10 2 40.11 3.75 -5 -10 -3 175.25 7.58 -5 -10 -3 169.81 8.59 5 10 3 187.87 8.12 5 10 3 175.70 7.89 5 10 3 181.57 8.37 5 10 3 184.81 7.32 -5 -10 -3 162.74 9.32 -5 -10 -3 159.30 13.29 5 10 3 156.39 6.61 5 10 3 186.72 9.17 5 10 3 180.42 8.77 -5 -10 -4 168.49 7.47 -5 -10 -4 174.66 8.58 5 10 4 174.34 7.74 5 10 4 176.81 7.76 5 10 4 174.25 7.60 5 10 4 172.25 8.13 -5 -10 -4 165.73 8.83 -5 -10 -4 158.00 13.07 5 10 4 154.45 6.72 5 10 4 164.76 8.61 5 10 4 173.19 8.36 -5 -10 -5 75.86 5.14 -5 -10 -5 78.67 3.98 5 10 5 82.98 4.82 -5 -10 -5 78.38 4.61 5 10 5 87.92 4.86 5 10 5 74.91 4.56 5 10 5 76.25 4.95 5 10 5 79.34 4.20 5 10 5 77.99 4.90 5 10 5 68.19 5.02 5 10 6 4.74 0.99 -5 -10 -6 4.94 1.19 -5 -10 -6 4.71 0.96 5 10 6 5.52 1.31 5 10 6 5.04 1.20 5 10 6 4.58 1.15 5 10 6 2.68 0.81 5 10 6 4.21 1.31 5 10 6 5.29 1.14 -5 -10 -7 150.56 6.79 -5 -10 -7 154.47 6.06 -5 -10 -7 152.36 6.66 5 10 7 157.57 6.78 5 10 7 157.93 7.07 5 10 7 147.29 6.27 5 10 8 60.36 3.49 -5 -10 -8 56.43 2.93 -5 -10 -8 59.54 3.39 5 10 8 59.84 3.10 5 10 9 47.15 2.62 5 10 9 58.87 2.93 5 -11 -10 11.31 1.03 -5 11 10 10.30 0.98 -5 11 9 17.27 1.69 5 -11 -9 15.09 1.48 -5 11 9 15.36 1.55 5 -11 -9 15.20 1.16 5 -11 -8 16.27 1.72 -5 11 8 20.21 2.06 -5 11 8 16.63 1.82 5 -11 -8 14.52 1.48 5 -11 -8 14.42 1.89 -5 11 8 14.69 1.56 5 -11 -7 78.28 4.26 5 -11 -7 68.83 3.55 -5 11 7 79.60 4.44 5 -11 -7 72.34 4.60 -5 11 7 73.71 4.04 -5 11 6 1.06 0.66 -5 11 6 2.30 0.96 5 -11 -6 1.30 0.79 5 -11 -6 0.43 0.77 5 -11 -6 0.78 0.52 -5 -11 6 0.56 0.79 -5 11 6 0.58 0.73 5 -11 -6 1.32 0.82 5 -11 -6 1.69 0.87 -5 11 6 0.69 0.60 -5 11 6 0.43 0.61 5 -11 -5 34.11 2.91 5 -11 -5 40.74 2.64 -5 11 5 43.33 3.32 5 -11 -5 44.20 3.45 5 11 -5 38.56 2.63 -5 11 5 40.76 3.14 -5 -11 5 49.59 4.55 5 -11 -5 38.35 3.35 -5 11 5 39.70 2.99 -5 11 5 34.21 5.44 -5 11 5 38.52 3.47 -5 11 4 55.73 3.70 -5 -11 4 61.72 5.47 5 -11 -4 57.17 3.22 -5 11 4 59.69 3.87 5 11 -4 56.57 3.43 5 -11 -4 55.54 4.02 5 -11 -4 60.84 3.88 -5 11 4 50.35 5.34 -5 11 4 57.08 3.67 -5 11 4 46.83 6.52 5 -11 -3 61.55 3.35 -5 11 3 66.72 3.86 -5 -11 3 76.90 4.30 5 11 -3 66.46 3.81 5 -11 -3 61.36 3.95 -5 -11 3 63.34 5.72 5 -11 -3 60.59 4.06 5 -11 -3 55.27 4.05 -5 -11 3 68.00 7.46 -5 11 3 61.60 5.74 -5 11 3 58.31 3.76 -5 11 3 55.28 6.84 -5 -11 2 61.25 4.19 5 11 -2 60.78 3.71 5 11 -2 58.86 3.87 -5 -11 2 57.04 5.48 5 -11 -2 60.49 3.97 5 -11 -2 62.37 4.08 -5 -11 2 54.02 6.92 -5 11 2 66.92 5.68 -5 11 2 59.37 6.89 5 11 -2 58.69 4.05 5 11 -2 57.66 4.50 -5 -11 1 171.04 8.14 5 11 -1 162.15 7.19 5 11 -1 165.77 7.24 -5 -11 1 189.09 10.63 5 -11 -1 169.79 7.52 5 -11 -1 171.96 7.42 -5 -11 1 149.74 12.39 -5 11 1 192.18 12.38 5 11 -1 171.22 8.34 5 11 -1 186.51 8.77 -5 11 1 161.37 9.35 -5 -11 0 149.41 7.70 -5 -11 0 154.07 6.10 5 11 0 148.63 6.71 5 11 0 136.51 6.35 -5 -11 0 156.47 9.53 5 -11 0 153.22 6.46 -5 -11 0 127.38 11.66 5 -11 0 153.64 6.84 -5 11 0 152.88 6.58 -5 11 0 150.59 10.47 5 11 0 133.87 7.66 5 11 0 163.24 8.14 -5 -11 -1 2.99 0.80 -5 -11 -1 3.12 1.21 -5 -11 -1 3.46 1.62 5 11 1 2.34 1.19 5 -11 1 2.79 0.78 5 -11 1 2.61 0.85 -5 -11 -1 1.78 1.78 -5 11 -1 3.82 0.94 5 11 1 3.11 1.32 5 11 1 2.73 1.25 -5 -11 -2 10.91 1.51 -5 -11 -2 8.96 1.87 5 11 2 9.09 1.34 5 11 2 8.81 1.74 5 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3.65 5 -12 -7 58.68 3.42 -5 12 7 55.20 3.41 5 -12 -7 58.09 3.35 5 -12 -7 54.52 3.79 -5 12 6 0.18 0.69 5 -12 -6 0.33 0.63 -5 12 6 -0.17 0.64 5 -12 -6 -0.17 0.62 5 -12 -6 -0.23 0.60 -5 12 6 0.40 0.57 -5 12 5 13.83 1.75 5 -12 -5 16.18 1.87 -5 12 5 13.27 1.75 -5 -12 5 16.88 2.56 5 -12 -5 13.83 1.79 5 -12 -5 9.95 1.70 -5 12 5 14.31 2.05 -5 12 4 0.34 0.62 5 -12 -4 0.71 0.66 -5 -12 4 -0.38 0.93 -5 12 4 0.18 0.55 5 -12 -4 -0.20 0.60 -5 12 3 23.28 2.11 5 12 -3 27.14 2.18 5 12 -3 25.09 2.40 -5 -12 3 22.51 3.46 5 -12 -3 27.37 2.60 5 -12 -3 28.86 2.76 -5 12 3 28.42 2.40 -5 12 3 23.90 4.47 -5 -12 2 59.82 4.02 5 -12 -2 61.03 3.69 5 12 -2 60.41 3.50 5 12 -2 57.19 3.66 -5 -12 2 55.89 5.55 5 -12 -2 58.02 3.93 -5 -12 2 55.65 6.76 5 -12 -2 52.55 3.79 -5 12 2 56.98 3.56 -5 12 2 44.84 6.22 5 12 -2 54.14 3.76 -5 -12 1 312.17 11.96 -5 -12 1 315.16 14.59 5 12 -1 291.47 10.64 5 -12 -1 300.04 11.14 -5 -12 1 292.01 17.51 5 -12 -1 272.76 10.77 -5 12 1 295.80 10.65 5 12 -1 293.69 11.89 -5 12 1 267.57 15.64 5 12 -1 314.74 12.51 -5 -12 0 12.03 2.04 5 12 0 13.42 1.55 -5 -12 0 13.27 2.85 -5 -12 0 12.49 3.45 5 -12 0 11.48 1.44 -5 12 0 12.09 1.56 5 12 0 15.07 2.32 5 12 0 10.68 2.01 -5 -12 -1 93.55 5.76 -5 -12 -1 89.83 4.39 5 12 1 88.42 5.52 -5 -12 -1 91.96 6.93 5 -12 1 84.13 4.56 -5 -12 -1 98.38 9.72 5 -12 1 87.72 4.23 -5 12 -1 81.93 4.35 5 12 1 81.58 5.61 -5 -12 -2 1.97 0.79 -5 -12 -2 1.68 1.16 5 12 2 2.94 1.09 5 12 2 2.65 1.08 -5 -12 -2 0.86 1.21 -5 12 -2 0.45 0.45 5 12 2 4.04 1.39 5 12 2 0.30 0.84 5 12 3 2.83 1.07 5 12 3 2.21 0.90 5 12 3 3.69 1.24 -5 -12 -3 2.42 1.43 -5 -12 -3 1.57 0.84 -5 -12 -3 1.09 1.02 5 12 3 0.81 0.85 -5 12 -3 2.42 0.70 5 12 3 0.90 0.91 5 12 3 1.96 1.08 -5 -12 -4 14.65 2.23 -5 -12 -4 16.60 1.87 5 12 4 16.82 1.96 5 12 4 16.07 1.95 5 12 4 17.72 2.04 5 12 4 17.83 2.19 -5 -12 -4 14.18 2.17 -5 -12 -4 13.79 1.81 -5 12 -4 14.35 1.49 5 12 4 11.99 2.12 5 12 4 16.78 2.26 5 12 5 44.30 3.17 5 12 5 42.77 3.12 -5 -12 -5 46.94 3.64 -5 -12 -5 41.67 3.03 5 12 5 44.94 3.19 5 12 5 43.65 3.60 5 12 5 44.28 3.39 5 12 6 11.94 1.52 -5 -12 -6 8.37 1.44 5 12 6 10.68 1.40 -5 -12 -6 9.33 1.33 5 12 6 9.22 1.19 5 12 7 100.43 4.49 -5 -12 -7 98.51 4.54 5 12 7 106.51 4.43 5 12 8 7.37 0.95 5 -13 -9 0.41 0.26 -5 13 8 2.45 0.64 5 -13 -8 2.44 0.59 5 -13 -8 1.71 0.48 5 13 -8 3.40 0.70 -5 13 8 2.54 0.59 -5 13 7 1.45 0.63 5 -13 -7 1.03 0.57 5 -13 -7 1.97 0.64 5 13 -7 1.33 0.60 -5 13 7 1.51 0.67 -5 13 6 0.42 0.57 5 -13 -6 0.27 0.50 -5 13 6 0.84 0.58 5 13 -6 0.14 0.66 5 -13 -6 0.15 0.57 -5 13 5 2.04 0.79 5 -13 -5 1.61 0.70 5 13 -5 3.04 0.85 -5 13 5 3.58 0.87 5 -13 -5 2.69 0.88 -5 13 5 1.97 0.65 -5 13 5 1.81 0.93 -5 13 4 1.25 0.59 5 13 -4 1.86 0.85 -5 -13 4 1.36 1.18 -5 13 4 0.32 0.69 5 -13 -4 1.45 0.83 5 -13 -4 0.66 0.73 -5 13 4 1.64 0.62 5 -13 -3 29.00 2.35 5 13 -3 28.88 2.35 -5 -13 3 28.06 3.63 5 -13 -3 30.03 2.65 5 -13 -3 32.27 2.86 -5 13 3 28.82 2.35 -5 -13 2 0.19 0.55 5 13 -2 0.43 0.52 -5 -13 2 -0.41 1.16 5 -13 -2 -0.19 0.68 5 -13 -2 0.60 0.56 -5 13 2 1.68 0.66 -5 -13 1 12.77 1.88 -5 -13 1 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39.06 3.01 7 -5 -8 34.36 2.76 -7 5 8 36.85 2.90 7 -5 -8 34.55 3.19 7 -5 -7 5.87 1.29 -7 5 7 7.20 1.31 -7 5 7 8.03 3.09 -7 5 7 6.96 1.29 -7 5 7 7.40 2.43 -7 5 7 1.75 1.43 7 -5 -7 4.53 1.24 7 -5 -6 8.27 1.45 7 -5 -6 11.11 1.64 -7 5 6 15.05 3.75 7 -5 -6 10.63 1.51 7 5 -6 12.87 1.91 -7 5 6 7.39 2.53 -7 5 6 11.08 1.60 -7 5 6 9.77 2.65 7 -5 -6 13.64 1.99 7 -5 -5 62.59 3.97 7 -5 -5 59.93 3.96 -7 -5 5 62.15 5.01 7 -5 -5 62.95 3.95 -7 5 5 49.00 6.46 7 -5 -5 56.15 4.09 7 5 -5 58.68 4.07 -7 5 5 67.70 3.89 -7 5 5 58.65 6.05 7 -5 -4 60.54 3.82 7 -5 -4 60.53 3.90 -7 5 4 48.32 5.85 7 5 -4 56.05 3.90 -7 5 4 59.75 3.66 7 -5 -4 56.70 3.54 -7 5 4 65.48 6.26 7 -5 -3 1.33 0.83 7 5 -3 1.70 0.90 7 -5 -3 1.43 0.76 7 5 -3 1.30 0.84 -7 -5 3 1.82 1.15 7 -5 -3 0.59 0.62 -7 5 3 0.50 1.00 7 -5 -3 1.03 0.57 -7 5 3 2.00 0.73 7 -5 -3 0.20 0.58 7 5 -3 0.60 0.80 7 5 -2 0.82 0.71 7 -5 -2 0.70 0.65 -7 -5 2 1.85 1.11 7 5 -2 1.26 0.81 7 -5 -2 0.58 0.61 7 -5 -2 1.32 0.63 -7 5 2 0.49 0.97 -7 5 2 1.49 0.70 7 -5 -2 1.31 0.77 7 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30.84 2.98 7 -7 -6 34.42 2.93 -7 -7 6 42.45 4.03 7 -7 -6 33.81 3.22 7 -7 -6 33.05 2.77 -7 7 6 32.89 5.09 -7 7 6 36.00 4.77 -7 7 6 32.53 2.78 -7 7 6 39.32 5.57 7 7 -6 41.28 3.11 7 -7 -5 5.14 1.19 -7 7 5 5.39 1.35 7 -7 -5 5.16 1.26 7 7 -5 4.03 1.13 -7 7 5 4.94 1.18 -7 7 5 3.41 1.61 7 -7 -5 3.81 0.89 7 -7 -5 3.51 1.18 7 7 -5 4.78 1.20 -7 7 4 135.89 6.48 7 -7 -4 141.93 6.66 -7 -7 4 157.24 6.88 7 7 -4 151.17 7.17 7 -7 -4 143.10 6.81 7 -7 -4 146.45 7.00 7 -7 -4 145.07 7.26 -7 7 4 152.27 6.73 -7 7 4 145.57 9.99 7 -7 -3 1.61 0.90 -7 -7 3 0.92 0.69 7 7 -3 1.31 0.90 7 -7 -3 2.40 0.87 7 7 -3 0.47 0.84 -7 -7 3 0.78 1.03 7 -7 -3 1.69 0.85 -7 7 3 2.13 1.41 -7 7 3 1.67 0.77 7 -7 -2 200.37 8.40 -7 -7 2 230.82 9.66 7 7 -2 220.76 9.05 7 7 -2 225.40 9.29 -7 -7 2 220.57 11.19 7 -7 -2 211.46 8.83 7 -7 -2 199.54 8.05 -7 7 2 206.32 8.40 7 7 -2 195.71 8.61 7 7 -2 201.18 8.24 -7 7 2 203.70 11.90 7 -7 -1 6.27 1.29 7 7 -1 5.51 1.26 -7 -7 1 7.63 1.97 7 7 -1 5.34 1.36 7 -7 -1 6.61 1.25 7 -7 -1 7.17 1.34 7 -7 -1 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4.37 8 3 -1 33.58 2.89 8 -3 -1 26.29 2.28 8 3 0 26.45 2.55 8 -3 0 28.47 2.57 8 -3 0 31.75 2.71 8 3 0 32.57 2.71 8 3 0 34.68 2.95 8 -3 0 32.35 2.80 8 3 0 31.21 2.31 8 -3 0 29.96 2.58 8 3 0 27.52 2.38 -8 3 0 27.69 4.06 -8 -3 0 34.67 4.00 8 3 1 101.55 5.35 8 -3 1 112.49 5.72 8 3 1 99.63 5.46 8 3 1 105.34 4.94 8 -3 1 104.86 5.27 8 3 1 104.97 5.25 8 -3 1 111.26 5.69 -8 3 -1 108.39 8.46 8 3 2 81.67 4.21 8 3 2 80.68 4.19 8 -3 2 78.25 4.40 8 -3 2 84.54 4.90 8 -3 2 90.76 5.21 8 3 2 72.34 4.65 8 3 2 82.54 5.19 -8 -3 -2 75.15 5.88 8 3 3 5.42 1.00 8 -3 3 3.87 1.16 8 -3 3 4.82 1.11 -8 -3 -3 3.12 1.75 8 3 3 5.34 1.49 8 3 3 5.86 1.38 -8 -3 -3 4.07 1.40 8 -3 3 4.12 1.29 8 3 4 2.68 0.71 8 3 4 3.70 1.07 8 -3 4 2.56 0.91 8 -3 4 3.75 1.00 -8 -3 -4 4.87 1.84 8 3 4 3.37 1.16 -8 -3 -4 3.51 1.24 -8 -3 -5 76.67 4.79 8 3 5 60.88 4.04 8 -3 5 70.83 4.35 8 -3 5 61.24 4.77 8 3 5 62.68 4.59 -8 -3 -6 9.29 1.49 8 3 6 7.46 1.34 8 -3 6 10.83 1.53 8 -3 6 5.16 1.68 8 3 6 5.93 1.36 8 3 6 9.92 1.87 -8 -3 -7 54.08 3.28 8 -3 7 54.32 3.36 8 3 7 48.82 3.27 8 3 7 50.80 3.96 8 3 7 55.09 3.75 8 -3 8 1.41 0.72 8 3 8 4.57 1.22 8 3 8 3.42 0.98 -8 -3 -9 113.27 4.01 8 -3 9 119.63 4.59 8 3 9 123.42 4.61 8 -4 -11 10.91 0.93 8 4 -11 10.74 1.02 8 -4 -11 12.22 1.01 8 4 -10 0.40 0.51 8 -4 -10 -0.11 0.44 8 -4 -10 -0.34 0.53 8 4 -9 22.36 2.01 8 -4 -9 19.63 1.90 8 4 -9 20.43 2.00 8 -4 -9 19.05 1.92 8 -4 -8 57.24 3.68 8 4 -8 60.40 3.77 8 -4 -8 60.63 3.14 8 4 -8 60.94 3.99 -8 4 8 55.39 3.23 8 -4 -8 69.04 3.98 8 -4 -7 0.38 0.76 8 4 -7 1.05 0.89 8 -4 -7 0.90 0.58 8 4 -7 1.08 0.67 8 4 -7 -0.22 0.84 -8 4 7 0.91 0.52 8 -4 -6 13.79 1.81 8 4 -6 13.41 1.98 -8 -4 6 16.16 2.42 8 -4 -6 13.56 1.67 8 4 -6 15.57 1.75 8 4 -6 14.48 2.01 -8 4 6 12.68 1.60 -8 4 6 11.28 2.73 8 -4 -6 13.57 1.93 8 -4 -5 20.56 2.20 8 4 -5 17.31 2.25 -8 -4 5 20.79 2.91 8 -4 -5 18.25 2.01 8 -4 -5 19.52 2.23 8 4 -5 16.33 2.18 8 -4 -5 17.27 1.97 -8 4 5 12.30 2.89 8 -4 -4 55.65 3.75 8 4 -4 48.62 3.83 8 4 -4 52.38 3.06 8 4 -4 48.77 3.78 -8 -4 4 52.47 4.79 8 -4 -4 45.88 3.50 8 -4 -4 55.20 3.53 -8 4 4 51.40 5.69 8 4 -4 53.85 3.91 8 -4 -3 17.72 2.06 8 -4 -3 15.38 1.64 8 4 -3 14.22 2.01 8 4 -3 18.29 1.73 8 4 -3 14.53 2.09 -8 -4 3 14.93 2.67 8 -4 -3 16.65 1.94 8 -4 -3 16.22 1.91 -8 4 3 18.72 1.96 8 -4 -3 12.63 1.66 -8 4 3 14.11 2.90 8 4 -3 18.33 2.22 8 4 -2 26.36 2.61 8 -4 -2 24.34 2.39 8 4 -2 23.06 2.32 -8 -4 2 29.47 3.64 8 4 -2 24.33 2.55 8 -4 -2 24.38 2.33 -8 4 2 21.18 2.11 -8 4 2 23.71 3.74 -8 -4 2 23.58 2.94 8 4 -2 18.97 2.26 8 -4 -2 20.42 1.95 8 4 -1 132.92 6.67 8 -4 -1 133.64 6.46 8 4 -1 130.59 6.52 -8 -4 1 147.46 8.91 8 4 -1 147.72 7.04 8 4 -1 158.03 6.19 8 4 -1 137.15 5.63 8 -4 -1 145.64 6.54 -8 -4 1 146.80 8.31 -8 4 1 145.89 9.76 8 4 -1 134.66 6.73 8 -4 -1 136.03 5.89 8 -4 0 3.41 1.04 8 4 0 3.88 1.10 8 -4 0 5.19 1.12 8 4 0 3.95 1.16 -8 -4 0 5.99 1.96 8 4 0 5.00 1.27 8 -4 0 6.43 1.24 8 4 0 4.95 1.02 8 4 0 3.68 0.80 -8 -4 0 3.88 1.40 -8 4 0 5.47 2.05 8 4 1 13.28 1.79 8 -4 1 16.41 2.01 8 4 1 13.77 1.92 -8 -4 -1 14.59 2.63 8 -4 1 18.08 2.10 8 4 1 13.52 1.48 8 -4 1 13.90 1.72 8 -4 1 13.32 1.71 8 4 1 14.40 1.70 -8 4 -1 11.70 2.75 8 4 2 0.59 0.68 8 4 2 0.76 1.01 8 4 2 0.23 0.76 -8 -4 -2 -0.37 1.21 8 -4 2 0.23 0.79 8 4 2 0.36 0.48 8 -4 2 0.43 0.71 8 -4 2 0.17 0.57 -8 4 -2 -0.58 0.58 8 4 3 176.59 7.19 8 -4 3 176.39 7.34 -8 -4 -3 194.76 13.78 8 4 3 180.63 7.63 8 -4 3 172.27 7.81 8 -4 3 171.79 8.22 8 4 3 188.10 8.46 -8 -4 -3 147.99 8.69 8 4 4 5.09 1.06 8 -4 4 6.08 1.26 8 -4 4 7.03 1.24 -8 -4 -4 5.90 2.22 8 4 4 6.35 1.59 -8 -4 -4 4.34 1.36 8 -4 4 4.92 1.53 -8 -4 -5 20.40 2.44 8 -4 5 20.87 2.07 8 4 5 17.32 2.02 8 -4 5 17.01 2.02 8 4 5 19.86 2.56 -8 -4 -6 0.57 0.60 8 4 6 -0.18 0.52 8 -4 6 1.62 1.04 8 4 6 1.12 0.90 8 4 6 0.74 1.04 -8 -4 -7 88.34 4.08 -8 -4 -7 105.95 4.83 8 -4 7 92.96 4.65 8 4 7 99.05 4.85 8 4 7 106.60 5.62 8 4 7 105.68 5.40 8 -4 8 3.02 0.75 -8 -4 -8 3.40 0.76 8 4 8 4.00 0.98 -8 -4 -9 18.86 1.16 8 -4 9 21.92 1.44 8 -5 -11 0.21 0.24 8 -5 -10 29.39 1.98 8 5 -10 28.28 2.07 8 -5 -10 30.97 1.96 8 5 -10 31.23 1.91 8 5 -9 1.29 0.81 8 -5 -9 2.04 0.73 8 -5 -9 2.41 0.50 8 -5 -8 9.36 1.44 8 5 -8 8.90 1.49 8 -5 -8 6.49 0.99 -8 5 8 7.95 1.13 8 -5 -8 8.24 1.45 8 -5 -7 6.96 1.33 -8 5 7 6.99 1.16 8 -5 -7 8.45 1.35 8 5 -7 7.10 1.43 8 5 -6 53.79 3.96 8 -5 -6 54.53 3.69 8 5 -6 57.41 4.08 -8 5 6 60.01 6.22 8 -5 -6 52.47 3.49 8 5 -6 57.18 3.92 8 -5 -5 27.86 2.61 8 5 -5 29.80 2.91 8 5 -5 30.60 2.95 -8 -5 5 22.42 3.02 8 -5 -5 24.35 2.57 -8 5 5 27.55 2.44 8 -5 -5 29.21 2.46 -8 5 5 27.30 4.24 8 5 -5 28.98 2.81 8 5 -4 14.67 2.04 8 -5 -4 12.32 1.77 8 5 -4 10.84 1.87 -8 -5 4 12.01 2.34 8 -5 -4 14.75 1.85 8 -5 -4 16.31 1.78 -8 5 4 13.56 2.90 -8 5 4 9.80 1.47 8 -5 -4 12.94 1.84 8 5 -4 15.63 2.01 8 -5 -3 142.19 6.76 8 5 -3 155.01 7.30 8 5 -3 150.55 7.28 -8 -5 3 158.03 9.00 8 -5 -3 148.00 6.84 8 -5 -3 148.47 6.78 8 -5 -3 135.30 6.09 -8 5 3 152.41 6.63 8 5 -3 145.95 7.04 -8 5 3 143.12 10.00 8 5 -2 87.70 5.23 8 -5 -2 85.71 4.89 8 5 -2 94.77 5.26 -8 -5 2 91.47 6.73 8 5 -2 98.82 5.51 8 -5 -2 82.16 4.84 -8 5 2 93.63 4.86 8 5 -2 93.55 5.23 -8 5 2 84.84 7.39 8 -5 -2 87.56 4.30 8 -5 -1 5.77 1.21 8 5 -1 4.34 1.22 8 5 -1 4.58 1.36 8 5 -1 3.67 1.15 -8 -5 1 9.00 2.13 8 -5 -1 4.74 1.10 -8 5 1 6.59 2.13 8 5 -1 7.14 1.41 8 5 0 143.64 6.88 8 -5 0 133.75 6.45 8 5 0 142.34 6.95 8 5 0 137.65 6.87 -8 -5 0 134.69 8.45 8 -5 0 150.73 6.64 8 5 0 144.16 6.08 -8 5 0 167.32 10.63 8 5 1 41.84 3.27 8 5 1 34.81 2.57 8 -5 1 43.13 3.20 8 5 1 40.00 3.36 -8 -5 -1 43.24 4.43 8 -5 1 43.06 3.09 8 -5 1 42.93 3.17 8 5 1 38.71 2.80 -8 -5 -1 41.39 4.21 -8 5 -1 41.91 5.08 8 5 2 6.14 1.33 8 5 2 5.79 1.05 8 -5 2 5.54 1.36 8 5 2 8.32 1.31 8 -5 2 5.71 1.30 8 -5 2 5.48 1.18 -8 5 -2 5.12 2.06 8 5 3 1.03 0.62 8 5 3 0.42 0.56 8 5 3 0.25 0.95 8 5 3 0.48 0.83 -8 -5 -3 -0.34 0.82 8 -5 3 -0.24 0.85 8 5 3 0.93 0.67 8 -5 3 -0.63 0.63 8 -5 3 1.42 0.66 8 -5 3 0.34 0.58 -8 -5 -3 0.85 0.85 -8 5 -3 1.16 1.42 -8 -5 -4 72.68 5.02 8 5 4 71.44 4.06 8 -5 4 75.24 4.06 8 -5 4 76.27 4.15 -8 -5 -4 71.88 7.90 8 5 4 80.53 4.51 8 -5 4 70.40 4.39 8 -5 4 73.86 4.98 8 5 4 78.93 4.97 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59.31 3.54 8 6 -5 64.61 4.20 -8 6 5 72.91 6.85 8 -6 -4 20.12 2.21 -8 -6 4 21.50 2.28 8 6 -4 21.61 2.44 8 6 -4 19.95 2.40 -8 -6 4 17.35 2.80 8 -6 -4 16.89 2.18 8 -6 -4 20.45 1.87 -8 6 4 21.92 2.23 -8 6 4 20.48 3.63 8 6 -4 22.09 2.40 8 6 -3 0.92 0.79 8 -6 -3 -0.20 0.58 8 6 -3 -0.24 0.93 -8 -6 3 0.80 1.13 8 -6 -3 0.19 0.58 -8 6 3 -0.56 0.79 -8 6 3 0.37 0.59 8 6 -3 -0.22 0.78 8 6 -2 32.07 2.93 8 -6 -2 32.33 2.78 8 6 -2 26.72 2.76 -8 -6 2 25.12 3.53 8 6 -2 29.88 2.95 8 -6 -2 33.36 2.75 -8 6 2 29.50 2.60 8 6 -2 28.35 2.75 -8 6 2 32.73 4.54 8 -6 -1 7.13 1.35 8 6 -1 6.89 1.45 8 6 -1 10.23 1.76 8 6 -1 5.52 1.41 -8 -6 1 7.47 2.08 8 -6 -1 7.67 1.42 -8 6 1 4.41 1.75 8 6 0 49.44 3.62 8 -6 0 53.68 3.56 8 6 0 49.21 3.73 -8 -6 0 43.39 4.57 8 -6 0 45.28 3.33 -8 6 0 48.26 5.53 8 6 1 42.77 3.34 8 6 1 36.47 2.70 -8 -6 -1 42.05 4.43 8 -6 1 42.97 3.06 8 -6 1 39.65 3.00 -8 -6 -1 40.12 6.50 8 6 1 36.68 2.63 -8 6 -1 43.59 5.23 8 6 2 78.92 4.61 8 -6 2 63.62 4.14 8 6 2 69.62 3.86 8 6 2 67.53 4.62 8 -6 2 70.99 4.06 8 6 2 70.69 3.94 -8 6 -2 70.73 6.73 -8 -6 -3 22.83 2.79 8 6 3 20.68 2.12 8 -6 3 24.06 2.13 -8 -6 -3 20.13 4.49 8 6 3 16.50 1.90 8 -6 3 18.03 2.20 8 6 3 17.46 1.81 8 6 3 22.07 2.55 8 6 3 23.20 2.57 -8 -6 -4 71.85 4.95 8 6 4 72.78 4.10 8 -6 4 73.24 3.97 8 6 4 71.75 4.19 8 6 4 65.65 3.70 8 6 4 85.64 5.00 8 6 4 70.45 4.64 -8 -6 -5 18.97 2.07 8 6 5 20.00 1.92 8 -6 5 16.99 1.74 8 6 5 19.59 2.03 8 6 5 20.79 2.40 -8 -6 -6 0.18 0.53 8 6 6 0.16 0.47 8 -6 6 0.40 0.51 -8 -6 -6 0.64 0.66 8 6 6 -0.21 0.74 -8 -6 -7 3.33 0.68 8 -6 7 5.10 0.87 -8 -6 -7 4.18 0.88 8 6 7 6.14 1.20 8 6 7 4.07 1.08 -8 -6 -8 47.94 2.50 8 6 8 45.57 2.80 -8 -6 -9 2.68 0.39 8 6 9 2.57 0.40 8 7 -10 5.73 0.74 8 -7 -10 5.79 0.73 8 -7 -9 10.95 1.23 8 7 -9 7.91 1.22 8 -7 -9 9.46 0.89 8 7 -9 8.57 0.89 8 7 -8 6.46 1.24 8 -7 -8 6.86 1.11 8 7 -8 5.32 1.15 8 -7 -8 6.00 1.00 8 7 -8 5.95 1.01 8 -7 -7 3.95 1.02 8 7 -7 6.16 1.30 8 -7 -7 6.53 1.15 8 7 -7 4.31 1.27 8 -7 -7 3.55 1.03 -8 7 7 3.33 0.85 8 -7 -7 5.03 1.19 8 7 -7 4.16 0.98 8 -7 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51.76 5.05 -8 -7 -1 291.62 12.13 8 7 1 266.89 10.93 8 7 1 298.18 10.45 8 7 1 285.87 11.43 -8 -7 -1 256.54 12.78 8 -7 1 285.82 10.42 -8 -7 -1 265.53 18.12 8 -7 1 278.43 10.52 -8 -7 -2 63.05 4.73 8 7 2 61.15 4.01 8 7 2 59.09 3.58 8 7 2 56.90 4.18 8 7 2 60.85 4.32 8 -7 2 66.62 3.72 -8 -7 -2 49.69 7.19 8 7 2 53.47 3.27 -8 7 -2 71.81 6.62 8 7 2 61.07 4.33 -8 -7 -3 25.80 2.99 8 7 3 23.30 2.12 8 7 3 27.68 2.84 8 7 3 18.49 2.29 8 7 3 26.60 2.22 8 7 3 29.33 2.88 -8 -7 -4 147.44 6.72 -8 -7 -4 161.94 7.80 8 7 4 145.36 6.43 8 7 4 150.28 6.29 8 7 4 165.12 7.54 -8 -7 -4 155.63 7.93 8 7 5 35.11 2.58 -8 -7 -5 35.78 2.75 8 7 5 35.06 2.60 -8 -7 -6 36.17 2.72 -8 -7 -6 37.88 2.67 8 7 6 33.53 2.74 8 7 6 37.04 2.97 -8 -7 -7 17.09 1.59 -8 -7 -7 14.32 1.22 8 7 7 15.17 1.53 8 7 7 14.89 1.70 -8 -7 -8 12.31 1.12 8 7 8 15.07 1.41 8 -8 -10 0.09 0.19 8 8 -10 0.10 0.27 8 -8 -9 45.98 2.37 8 8 -9 45.42 2.21 8 -8 -9 39.23 1.94 8 8 -9 47.05 2.67 8 8 -8 78.66 4.13 8 -8 -8 67.93 3.52 8 8 -8 74.25 3.69 8 -8 -7 118.26 5.07 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13.95 1.23 10 -5 -7 2.28 0.75 10 5 -7 2.27 0.79 10 5 -7 2.69 0.79 10 -5 -6 5.59 1.07 10 5 -6 4.93 1.09 10 5 -6 5.67 1.09 10 -5 -6 6.29 0.89 10 5 -6 4.90 1.05 10 -5 -5 0.15 0.59 10 5 -5 -0.18 0.68 10 5 -5 1.51 0.86 10 -5 -5 0.25 0.42 10 5 -5 -0.17 0.67 -10 -5 4 3.70 1.34 10 5 -4 2.73 1.00 10 -5 -4 2.29 0.87 10 5 -4 2.96 0.98 -10 5 4 2.75 0.77 10 -5 -3 5.98 1.23 10 5 -3 5.33 1.23 -10 -5 3 3.43 1.54 10 5 -3 7.01 1.40 10 -5 -3 5.77 1.13 -10 5 3 6.84 1.11 10 -5 -2 3.64 1.02 10 5 -2 5.14 1.18 -10 -5 2 4.01 1.55 10 -5 -2 5.82 1.09 -10 5 2 3.46 0.87 10 5 -1 35.51 2.85 10 -5 -1 39.13 2.81 -10 -5 1 29.89 3.66 10 5 0 12.88 1.70 10 -5 0 12.55 1.56 10 5 0 13.35 1.99 -10 -5 0 13.56 2.52 -10 -5 -1 43.81 3.85 10 -5 1 51.27 3.12 10 5 1 55.04 3.86 -10 -5 -1 44.64 4.25 -10 -5 -2 108.71 5.99 10 -5 2 106.66 4.83 10 5 2 106.53 5.62 -10 -5 -2 97.62 6.11 -10 -5 -3 28.57 2.72 10 5 3 29.98 2.64 -10 -5 -4 8.62 1.38 -10 -5 -4 8.67 1.21 -10 5 -4 4.40 0.87 10 5 4 7.73 1.34 -10 -5 -5 9.96 1.23 -10 -5 -5 12.87 1.31 10 5 5 10.07 1.39 -10 -5 -6 35.69 1.99 10 5 6 34.30 2.22 10 -6 -8 2.21 0.53 10 6 -8 2.50 0.59 10 6 -7 30.52 2.15 10 -6 -7 30.68 2.02 10 6 -7 28.61 2.02 10 6 -6 17.65 1.81 10 -6 -6 18.17 1.68 10 -6 -6 16.63 1.40 10 6 -6 20.35 1.88 10 6 -5 19.23 1.97 10 -6 -5 21.90 1.96 10 6 -5 17.33 1.93 10 6 -4 98.16 4.99 10 -6 -4 96.09 4.73 10 6 -4 100.05 5.03 10 -6 -4 85.15 4.38 -10 -6 3 2.01 0.82 10 -6 -3 1.11 0.69 10 6 -3 0.18 0.70 10 6 -3 0.73 0.80 10 -6 -3 1.34 0.63 -10 6 3 1.47 0.61 10 6 -2 23.81 2.34 10 -6 -2 22.52 2.13 -10 -6 2 25.97 3.28 10 -6 -2 21.29 2.03 -10 -6 1 64.85 4.43 10 6 -1 62.77 3.91 -10 -6 1 55.36 5.00 10 -6 -1 66.73 3.69 -10 6 1 65.66 3.76 -10 -6 0 39.85 3.44 10 6 0 42.23 3.06 10 6 0 41.44 3.33 -10 -6 0 35.88 3.80 10 -6 0 41.20 2.76 -10 6 0 40.35 2.83 -10 -6 -1 52.47 3.90 10 6 1 47.69 3.51 10 -6 1 44.73 2.91 -10 6 -1 53.27 3.25 -10 -6 -2 165.63 7.70 10 -6 2 171.24 6.54 10 6 2 163.57 7.30 -10 -6 -3 40.61 2.58 -10 -6 -3 40.84 3.13 10 6 3 36.78 2.89 -10 -6 -3 41.32 3.27 -10 -6 -4 57.60 3.47 -10 -6 -4 60.10 3.12 10 6 4 60.34 3.53 10 6 4 53.94 3.07 -10 -6 -5 14.12 1.29 -10 -6 -5 13.44 1.19 10 6 5 12.90 1.42 -10 -6 -6 38.12 1.92 10 -7 -8 2.70 0.46 10 7 -8 1.52 0.35 10 -7 -7 1.08 0.46 10 7 -7 1.32 0.56 10 7 -7 0.09 0.38 10 -7 -6 5.88 0.91 10 7 -6 4.45 0.98 10 -7 -6 5.96 0.84 10 7 -6 8.11 1.16 10 -7 -5 4.91 0.92 10 7 -5 4.31 0.98 10 -7 -5 2.78 0.73 10 7 -5 4.65 1.04 10 7 -4 53.25 3.31 10 -7 -4 51.21 3.08 10 -7 -4 47.32 2.90 10 7 -4 46.83 3.19 -10 -7 4 49.12 4.18 10 7 -3 13.73 1.68 10 -7 -3 13.54 1.59 10 7 -3 10.92 1.57 10 -7 -3 11.33 1.45 10 7 -2 0.17 0.68 10 -7 -2 0.57 0.55 -10 7 2 0.15 0.49 -10 -7 1 11.75 1.77 10 7 -1 12.31 1.64 10 -7 -1 14.10 1.52 -10 7 1 9.61 1.34 -10 -7 0 11.50 1.78 10 7 0 12.62 1.60 10 7 0 14.49 1.48 10 7 0 12.67 1.79 10 7 0 14.40 1.57 10 -7 0 13.48 1.48 -10 7 0 12.17 1.49 -10 -7 -1 31.77 2.91 10 7 1 36.96 2.61 10 7 1 36.80 2.90 10 -7 1 32.20 2.29 -10 7 -1 38.21 2.63 -10 -7 -2 94.48 5.04 -10 -7 -2 83.71 3.89 10 -7 2 86.39 3.89 10 7 2 81.41 4.49 -10 -7 -2 79.63 5.22 -10 -7 -3 146.60 6.57 10 7 3 152.32 6.39 -10 -7 -3 148.08 6.54 -10 -7 -4 12.25 1.43 -10 -7 -4 12.72 1.21 10 7 4 10.75 1.32 -10 -7 -5 49.63 2.33 -10 -7 -5 41.76 2.24 -10 -7 -6 28.81 1.39 10 8 -7 50.61 2.36 10 -8 -7 52.88 2.32 10 8 -7 55.02 2.53 10 8 -6 20.01 1.59 10 -8 -6 18.14 1.39 10 8 -6 17.30 1.55 10 8 -5 41.08 2.55 10 -8 -5 35.05 2.21 10 -8 -5 40.56 2.31 10 8 -5 37.99 2.58 -10 -8 5 34.84 2.90 10 8 -4 10.67 1.37 10 -8 -4 11.68 1.30 10 -8 -4 9.33 1.19 10 8 -4 10.90 1.47 -10 -8 4 12.57 2.06 10 8 -3 17.72 1.85 10 -8 -3 16.30 1.64 -10 -8 3 18.99 2.61 -10 -8 2 141.02 6.05 10 8 -2 137.52 5.92 10 -8 -2 132.13 5.44 10 -8 -2 128.97 5.51 -10 -8 2 131.01 7.64 -10 -8 1 31.20 2.62 10 8 -1 28.40 2.35 10 -8 -1 28.93 2.08 -10 -8 1 25.79 3.24 -10 -8 0 3.09 0.99 10 8 0 2.95 0.76 10 -8 0 2.65 0.69 10 8 0 3.44 0.98 10 8 0 2.64 0.82 -10 -8 0 2.47 1.20 -10 -8 -1 6.24 1.25 10 8 1 4.07 0.76 10 -8 1 6.07 0.89 10 8 1 6.04 1.20 10 8 1 5.12 0.97 -10 -8 -1 6.25 1.56 -10 -8 -2 0.17 0.65 10 8 2 0.59 0.64 -10 -8 -2 0.64 0.80 -10 -8 -3 26.27 1.68 -10 -8 -3 27.99 2.24 10 8 3 28.26 2.11 -10 -8 -4 0.45 0.46 -10 -8 -5 54.20 2.24 10 -9 -6 4.62 0.59 10 9 -5 0.19 0.43 10 -9 -5 0.24 0.34 -10 -9 5 -0.13 0.33 10 9 -4 45.05 2.66 10 -9 -4 44.79 2.49 -10 -9 4 48.26 3.49 10 9 -3 76.31 3.82 10 -9 -3 77.48 3.49 10 -9 -3 81.16 3.69 -10 -9 3 76.97 4.98 10 9 -2 6.15 1.04 10 -9 -2 6.53 0.94 -10 -9 2 4.66 1.51 10 -9 -1 169.07 5.63 10 9 -1 185.91 6.73 -10 -9 1 190.24 8.46 -10 -9 0 0.64 0.66 10 9 0 0.57 0.67 10 9 0 -0.25 0.54 -10 -9 0 0.52 0.94 -10 -9 -1 48.74 3.13 10 9 1 43.39 2.39 10 9 1 41.77 2.72 -10 -9 -1 44.73 3.53 -10 -9 -2 0.14 0.54 -10 -9 -2 0.32 0.54 -10 -9 -3 67.52 3.44 10 9 3 64.66 3.07 -10 -9 -4 0.16 0.34 10 -10 -5 13.07 0.92 10 -10 -4 21.69 1.36 10 -10 -4 23.79 1.52 -10 -10 3 88.47 4.90 10 10 -2 15.04 1.52 -10 -10 2 11.66 1.78 -10 -10 1 0.22 0.47 10 10 -1 0.10 0.43 10 -10 -1 -0.32 0.30 10 10 -1 0.93 0.56 10 10 -1 0.82 0.49 -10 -10 1 0.45 0.89 10 10 0 4.52 0.85 -10 -10 0 4.31 1.20 -10 -10 0 4.97 0.94 -10 -10 -1 22.25 1.84 -10 -10 -2 3.37 0.69 10 10 2 3.10 0.58 -10 -10 -2 5.21 0.87 10 10 3 11.95 1.03 -10 -10 -3 15.61 1.27 10 11 -4 51.80 2.33 10 11 -3 18.94 1.40 -10 -11 3 21.76 1.91 10 11 -3 21.91 1.41 -10 -11 2 101.46 4.89 10 11 -2 96.80 3.80 10 11 -1 35.87 1.99 10 11 -1 39.11 2.08 -10 -11 1 43.05 2.99 10 11 -1 45.41 2.15 10 11 0 0.92 0.34 -10 -11 0 0.43 0.59 10 11 0 0.70 0.33 -10 -11 -1 0.20 0.40 -10 -11 -1 0.41 0.37 -10 -11 -2 1.59 0.42 11 0 -8 -0.06 0.28 11 0 -7 2.32 0.54 11 0 -7 26.38 1.70 11 0 -6 0.41 0.24 11 0 -6 -0.12 0.48 11 0 -5 3.80 0.76 11 0 -5 3.33 0.63 11 0 -5 3.65 0.90 11 0 -4 0.10 0.46 -11 0 4 -0.53 0.88 11 0 -3 33.02 2.18 -11 0 3 33.99 3.56 11 0 -2 0.47 0.54 -11 0 2 1.00 1.11 11 0 -1 6.41 1.02 11 0 -1 5.27 1.07 -11 0 1 4.10 1.57 11 0 0 0.50 0.74 -11 0 0 0.33 0.98 -11 0 -1 23.38 2.85 -11 0 -2 0.72 0.80 11 0 3 113.55 5.26 -11 0 -3 103.04 5.11 11 0 4 0.14 0.63 -11 0 -4 0.32 0.46 11 0 5 30.18 2.06 11 1 -7 237.37 7.92 11 -1 -7 225.02 7.65 11 -1 -6 9.30 1.03 11 -1 -6 8.54 0.87 11 1 -6 6.42 1.09 11 -1 -6 8.10 1.09 11 -1 -5 81.75 3.54 11 1 -5 79.08 4.03 11 1 -4 1.77 0.66 11 1 -4 1.03 0.42 11 -1 -4 0.76 0.50 -11 -1 4 -0.26 0.70 -11 1 4 0.53 0.84 11 1 -3 18.75 1.70 11 1 -3 17.91 1.48 11 -1 -3 19.26 1.68 -11 1 3 21.45 2.80 -11 -1 3 15.48 2.42 11 1 -2 -0.12 0.46 11 1 -2 0.10 0.42 11 1 -2 -0.16 0.64 -11 -1 2 1.65 1.19 11 1 -1 12.52 1.29 11 -1 -1 10.03 1.28 11 1 -1 14.69 1.75 -11 -1 1 17.34 2.64 11 1 0 33.22 2.22 11 -1 0 37.49 2.47 -11 -1 0 37.80 3.81 11 -1 1 23.11 1.85 11 -1 1 20.48 2.04 11 1 1 24.63 2.33 -11 -1 -1 19.23 2.62 -11 1 -1 22.40 2.87 -11 -1 -2 11.33 1.83 -11 1 -2 9.38 1.69 11 -1 2 11.12 1.55 11 1 2 9.44 1.49 -11 -1 -3 6.20 1.13 -11 1 -3 4.64 0.98 11 1 3 5.71 1.16 11 1 4 2.16 0.81 -11 -1 -4 1.00 0.53 -11 1 -4 0.86 0.48 -11 -1 -5 0.77 0.42 11 1 5 0.45 0.55 11 2 -8 56.40 2.34 11 2 -7 11.92 1.15 11 -2 -7 8.18 0.69 11 2 -7 10.38 1.15 11 2 -6 138.48 5.30 11 -2 -6 127.11 4.70 11 2 -6 126.52 5.30 11 -2 -6 121.00 4.83 11 -2 -5 0.84 0.55 11 2 -5 1.27 0.68 -11 2 5 -0.20 0.73 11 -2 -5 0.30 0.43 11 -2 -5 1.13 0.56 -11 -2 4 48.17 3.94 -11 2 4 53.49 4.13 11 2 -3 0.07 0.35 11 -2 -3 0.49 0.60 11 2 -3 0.30 0.58 -11 -2 3 0.59 0.93 11 2 -2 109.14 4.94 11 2 -2 106.94 4.29 11 -2 -2 113.37 4.94 -11 -2 2 115.50 6.99 11 2 -1 1.14 0.61 11 2 -1 0.09 0.37 11 -2 -1 0.26 0.57 11 2 -1 0.69 0.77 -11 -2 1 0.32 1.07 11 -2 0 48.01 2.91 11 2 0 47.20 3.30 -11 -2 0 54.60 4.48 11 -2 1 8.40 1.16 11 2 1 8.74 1.45 -11 -2 -1 9.45 1.90 11 2 2 101.81 5.09 -11 -2 -2 92.49 5.43 -11 2 -2 110.89 5.93 -11 -2 -3 3.28 0.97 -11 2 -3 2.90 0.85 11 2 3 1.93 0.84 -11 -2 -4 1.00 0.55 -11 2 -4 1.12 0.47 11 2 4 0.57 0.70 -11 -2 -5 0.59 0.37 11 2 5 1.45 0.58 11 3 -8 96.98 3.44 11 -3 -7 -0.36 0.37 11 3 -7 0.53 0.42 11 -3 -7 0.10 0.26 11 -3 -6 5.47 0.88 11 3 -6 7.60 1.04 11 -3 -5 1.54 0.59 11 3 -5 2.57 0.74 -11 3 5 1.71 0.85 11 -3 -4 2.49 0.79 11 3 -4 3.02 0.86 11 -3 -4 2.07 0.65 -11 -3 4 0.74 0.74 11 3 -3 37.44 2.63 11 -3 -3 39.14 2.52 -11 -3 3 42.11 3.84 11 -3 -2 23.91 1.95 11 3 -2 28.49 2.40 -11 -3 2 22.88 2.93 11 -3 -1 0.26 0.61 11 3 -1 0.69 0.69 -11 -3 1 1.57 1.13 11 -3 0 15.57 1.60 11 3 0 13.79 1.76 -11 -3 0 17.56 2.54 11 -3 1 32.12 2.26 11 3 1 35.37 2.75 -11 -3 -1 35.54 3.33 -11 -3 -2 10.59 1.61 11 3 2 11.75 1.61 -11 -3 -2 7.57 1.49 -11 3 -2 8.30 1.54 -11 -3 -3 25.20 2.17 11 3 3 23.83 2.15 -11 3 -3 19.39 1.85 -11 -3 -4 3.20 0.72 -11 -3 -4 4.92 0.78 11 3 4 5.55 1.04 -11 -3 -5 11.51 0.98 11 3 5 9.50 1.13 11 -4 -7 0.34 0.31 11 4 -7 0.40 0.45 11 4 -6 10.51 1.20 11 -4 -6 12.08 1.20 11 -4 -5 7.21 1.05 11 4 -5 6.10 1.03 -11 4 5 5.92 1.15 11 4 -4 35.56 2.48 11 -4 -4 32.96 2.30 11 -4 -4 32.76 2.19 -11 -4 4 31.56 3.01 -11 -4 3 10.94 1.47 11 4 -3 10.87 1.39 11 -4 -3 12.11 1.38 -11 -4 3 10.03 1.90 11 4 -2 7.74 1.22 11 -4 -2 9.51 1.21 11 4 -2 9.07 1.39 -11 -4 2 11.43 2.06 11 4 -1 22.64 1.92 11 -4 -1 21.79 1.84 11 4 -1 23.32 2.21 11 -4 0 -0.12 0.51 11 4 0 0.86 0.76 -11 -4 0 0.84 0.97 -11 -4 -1 2.01 0.88 11 -4 1 1.02 0.57 11 4 1 1.66 0.78 -11 -4 -1 2.49 1.14 -11 -4 -2 71.31 4.14 11 4 2 69.53 3.91 -11 -4 -3 29.21 2.28 -11 -4 -3 32.18 2.02 11 4 3 33.43 2.44 -11 4 -3 22.75 1.91 -11 -4 -3 24.52 1.97 -11 -4 -4 35.40 2.03 11 4 4 33.65 2.32 -11 -4 -5 2.19 0.46 11 4 5 1.50 0.51 11 5 -7 99.87 3.68 11 -5 -7 91.79 3.28 11 5 -6 14.71 1.34 11 -5 -6 12.65 1.17 11 5 -5 21.66 1.70 11 -5 -5 19.44 1.53 -11 -5 5 20.35 2.01 11 5 -4 3.70 0.89 11 -5 -4 4.38 0.84 11 5 -3 23.76 2.01 11 -5 -3 24.10 1.86 11 5 -2 0.27 0.52 11 -5 -2 0.12 0.46 11 5 -2 -0.32 0.76 -11 -5 2 1.36 0.94 -11 -5 1 295.32 10.73 11 5 -1 278.75 9.79 11 -5 -1 292.08 9.61 11 5 -1 283.18 10.32 -11 -5 0 11.14 1.64 11 -5 0 12.90 1.37 -11 -5 -1 121.79 5.83 11 -5 1 121.49 4.87 11 5 1 115.25 5.44 -11 -5 -2 5.40 1.14 11 5 2 4.25 1.01 -11 -5 -2 5.09 1.20 -11 -5 -3 83.10 3.90 -11 -5 -3 86.04 3.37 11 5 3 82.25 3.90 -11 -5 -4 2.42 0.53 11 5 4 2.89 0.74 11 6 -7 1.00 0.31 11 6 -6 11.32 1.09 11 -6 -6 13.93 1.03 11 6 -5 28.73 1.81 11 -6 -5 26.31 1.54 11 6 -4 6.63 1.03 11 -6 -4 6.82 0.91 -11 -6 4 5.68 1.26 11 6 -3 4.83 0.94 11 -6 -3 3.33 0.77 11 6 -2 1.90 0.69 11 -6 -2 0.83 0.52 11 6 -2 1.21 0.74 -11 -6 1 39.52 2.87 11 6 -1 38.84 2.51 11 -6 -1 36.58 2.30 11 6 -1 38.68 2.77 -11 -6 0 36.02 2.78 11 -6 0 36.51 2.22 11 6 0 37.05 2.67 -11 -6 -1 34.38 2.64 11 -6 1 31.95 1.99 11 6 1 32.35 2.43 -11 -6 -1 34.76 3.06 -11 -6 -2 2.43 0.80 11 6 2 0.53 0.59 -11 -6 -2 2.54 0.85 -11 -6 -3 0.23 0.45 11 6 3 0.34 0.45 -11 -6 -4 16.56 1.04 11 6 4 15.32 1.28 11 7 -6 2.55 0.47 11 -7 -6 1.99 0.38 11 7 -5 3.94 0.69 11 -7 -5 2.37 0.50 11 7 -4 0.20 0.39 11 -7 -4 -0.08 0.37 -11 -7 4 0.52 0.65 11 7 -3 7.28 1.03 11 -7 -3 9.13 0.99 11 7 -3 10.13 1.32 -11 -7 3 11.10 1.76 11 7 -2 22.19 1.73 11 -7 -2 23.80 1.60 11 7 -2 26.26 2.06 -11 -7 2 25.20 2.70 -11 -7 1 17.58 1.70 11 -7 -1 14.74 1.32 11 7 -1 15.63 1.66 -11 -7 1 16.40 2.20 -11 -7 0 16.76 1.70 11 -7 0 17.01 1.34 11 7 0 15.10 1.56 -11 -7 0 13.50 1.94 -11 -7 -1 15.50 1.61 11 7 1 13.48 1.46 -11 -7 -2 -0.12 0.56 11 7 2 0.33 0.43 -11 -7 -2 -0.11 0.44 -11 -7 -3 38.03 2.14 11 7 3 35.81 2.11 11 8 -5 15.16 1.07 11 -8 -5 14.62 0.96 11 8 -5 17.21 1.25 11 8 -4 38.67 2.12 11 -8 -4 40.28 1.93 11 8 -4 44.81 2.41 -11 -8 4 38.53 2.54 11 8 -3 2.38 0.59 11 -8 -3 1.08 0.39 11 8 -3 2.14 0.73 -11 -8 3 1.91 0.78 11 -8 -2 69.55 2.99 11 8 -2 73.96 3.56 -11 -8 2 69.08 4.29 11 -8 -1 0.35 0.36 11 8 -1 0.11 0.47 -11 -8 1 -0.40 0.66 -11 -8 0 45.61 2.56 11 -8 0 38.27 1.93 11 8 0 36.50 2.36 -11 -8 0 40.58 3.02 -11 -8 -1 18.47 1.56 11 8 1 16.37 1.45 -11 -8 -2 127.57 4.84 11 8 2 121.28 4.59 11 9 -4 9.83 0.88 11 -9 -3 2.38 0.38 11 9 -3 2.16 0.53 -11 -9 3 1.44 0.55 11 -9 -2 2.06 0.38 11 9 -2 1.50 0.48 -11 -9 2 2.32 0.82 11 9 -1 0.66 0.38 -11 -9 1 0.44 0.51 -11 -9 0 4.37 0.66 11 9 0 3.28 0.62 -11 -9 0 3.60 0.82 -11 -9 -1 27.85 1.61 11 9 1 23.55 1.43 -12 0 4 196.54 7.71 -12 0 3 -0.39 0.68 -12 0 2 89.41 5.15 -12 0 1 -0.22 0.70 -12 0 0 -0.20 0.76 -12 0 -2 70.21 3.39 12 -1 -4 50.49 2.08 -12 -1 4 55.02 3.32 12 -1 -3 107.44 3.98 -12 -1 3 121.81 5.80 -12 1 3 118.94 5.80 12 -1 -2 2.98 0.54 -12 -1 2 1.93 1.03 -12 1 2 4.36 1.24 -12 -1 1 23.62 2.48 -12 1 1 24.05 2.54 -12 -1 0 52.10 3.64 -12 1 0 53.59 3.71 12 1 1 -0.10 0.25 -12 -1 -2 32.33 2.13 12 1 2 28.58 1.82 -12 1 -2 27.68 1.81 12 -2 -4 52.08 2.23 -12 2 4 57.32 3.29 12 -2 -3 12.11 1.03 -12 -2 3 15.73 1.88 -12 2 3 13.84 1.82 -12 -2 2 48.62 3.57 -12 2 2 55.53 3.85 12 -2 -1 2.90 0.57 -12 -2 1 4.58 1.19 -12 2 1 3.23 1.10 -12 -2 0 5.02 1.05 -12 -2 0 4.00 1.08 -12 2 0 3.11 0.98 -12 -2 -1 20.34 1.84 -12 -2 -2 2.10 0.63 12 2 2 1.09 0.49 -12 -2 -3 11.67 0.88 12 2 3 12.80 1.04 12 3 -5 108.86 3.72 12 3 -4 9.71 0.86 -12 3 4 18.92 1.73 12 -3 -3 62.65 2.15 -12 3 3 65.33 3.54 -12 -3 2 4.49 0.91 12 -3 -2 3.91 0.66 12 3 -2 3.73 0.72 -12 -3 2 4.63 1.22 -12 3 2 4.45 1.17 -12 -3 1 92.89 4.34 12 -3 -1 84.52 3.51 -12 -3 1 83.14 4.80 -12 3 1 96.14 5.13 -12 -3 0 18.82 1.76 12 3 0 18.69 1.55 -12 3 0 17.05 1.95 -12 -3 -1 39.67 2.53 12 3 1 40.41 2.34 -12 -3 -2 2.22 0.65 12 3 2 2.29 0.57 12 -4 -4 12.99 0.95 -12 -4 4 10.82 1.31 12 -4 -3 30.64 1.67 12 4 -3 27.58 1.71 12 -4 -2 50.86 2.36 -12 4 2 47.89 3.39 -12 -4 1 8.75 1.18 12 -4 -1 11.86 1.02 12 4 -1 9.61 1.14 -12 -4 0 68.41 3.47 12 4 0 68.27 3.27 -12 4 0 67.44 3.88 -12 -4 -1 34.38 2.20 12 4 1 31.92 2.03 -12 -4 -1 30.48 2.25 -12 -4 -2 3.48 0.62 12 4 2 2.65 0.57 12 -5 -4 1.90 0.36 12 -5 -3 55.76 2.43 -12 -5 3 59.13 3.42 -12 -5 2 -0.14 0.19 12 -5 -2 0.31 0.31 12 5 -2 0.42 0.42 -12 5 2 0.96 0.66 -12 -5 2 0.51 0.72 -12 -5 1 1.69 0.53 12 -5 -1 2.60 0.52 12 5 -1 2.71 0.67 -12 5 1 1.92 0.77 -12 -5 1 1.20 0.84 -12 -5 0 2.08 0.60 12 5 0 2.15 0.58 -12 5 0 1.76 0.65 -12 -5 0 1.32 0.69 -12 -5 -1 38.87 2.20 12 5 1 38.73 2.13 -12 -5 -2 1.64 0.42 12 5 2 1.94 0.45 12 -6 -3 20.22 1.11 12 6 -3 16.58 1.16 -12 6 3 20.49 1.55 -12 -6 3 16.66 1.49 12 -6 -2 100.96 3.63 12 6 -2 102.29 3.94 -12 -6 2 102.84 4.72 12 -6 -1 0.39 0.27 12 6 -1 0.76 0.43 -12 6 1 -0.38 0.47 -12 -6 1 0.67 0.52 12 6 0 28.83 1.68 -12 6 0 28.28 1.93 -12 -6 0 30.21 1.70 12 6 1 10.54 0.92 -12 -6 -1 9.66 0.88 TITL ca030122_1_1 in P2(1)/n REM P2(1)/n (#14 in standard setting) CELL 1.54184 10.070110 14.968332 11.031472 90.0000 95.9141 90.0000 ZERR 4.00 0.000119 0.000177 0.000127 0.0000 0.0011 0.0000 LATT 1 SYMM -x+1/2, y+1/2,-z+1/2 SFAC C H N O S UNIT 68.00 92.00 4.00 12.00 4.00 REM CrysAlisPro recorded range (K): Min=99.9; max=100.1; aver:100.0 TEMP -173 SIZE 0.09 0.13 0.24 TREF HKLF 4 END _computing_structure_solution 'SHELXT 2014/4 (Sheldrick, 2014)' ; _shelx_hkl_checksum 38552 _olex2_date_sample_data_collection 2022-01-10 _olex2_date_sample_submission 2022-01-07 _olex2_submission_original_sample_id ca030122_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 2.084 _oxdiff_exptl_absorpt_empirical_full_min 0.653