data_20231215_c73-1 _audit_creation_date 2023-12-19 _audit_creation_method ; Olex2 1.5-beta (compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6439) ; _shelx_SHELXL_version_number '2018/3' _audit_contact_author_address ? _audit_contact_author_email ? _audit_contact_author_name '' _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 'C16 H17 N3' _chemical_formula_sum 'C16 H17 N3' _chemical_formula_weight 251.32 _chemical_melting_point ? loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'C' 'C' 0.0181 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' _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 5.73607(5) _cell_length_b 10.90927(7) _cell_length_c 20.88001(14) _cell_angle_alpha 90 _cell_angle_beta 96.7304(6) _cell_angle_gamma 90 _cell_volume 1297.591(16) _cell_formula_units_Z 4 _cell_measurement_reflns_used 14393 _cell_measurement_temperature 99.99(10) _cell_measurement_theta_max 73.9490 _cell_measurement_theta_min 4.2480 _shelx_estimated_absorpt_T_max 0.936 _shelx_estimated_absorpt_T_min 0.914 _exptl_absorpt_coefficient_mu 0.607 _exptl_absorpt_correction_T_max 1.00000 _exptl_absorpt_correction_T_min 0.45371 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; CrysAlisPro 1.171.39.28b (Rigaku Oxford Diffraction, 2015) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. ; _exptl_absorpt_special_details ? _exptl_crystal_colour colorless _exptl_crystal_density_diffrn 1.286 _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_description block _exptl_crystal_F_000 536 _exptl_crystal_size_max 0.15 _exptl_crystal_size_mid 0.12 _exptl_crystal_size_min 0.11 _exptl_transmission_factor_max ? _exptl_transmission_factor_min ? _diffrn_reflns_av_R_equivalents 0.0396 _diffrn_reflns_av_unetI/netI 0.0198 _diffrn_reflns_Laue_measured_fraction_full 1.000 _diffrn_reflns_Laue_measured_fraction_max 0.985 _diffrn_reflns_limit_h_max 6 _diffrn_reflns_limit_h_min -6 _diffrn_reflns_limit_k_max 13 _diffrn_reflns_limit_k_min -13 _diffrn_reflns_limit_l_max 26 _diffrn_reflns_limit_l_min -25 _diffrn_reflns_number 27546 _diffrn_reflns_point_group_measured_fraction_full 1.000 _diffrn_reflns_point_group_measured_fraction_max 0.985 _diffrn_reflns_theta_full 67.684 _diffrn_reflns_theta_max 74.325 _diffrn_reflns_theta_min 4.264 _diffrn_ambient_environment N~2~ _diffrn_ambient_temperature 99.99(10) _diffrn_detector 'CCD plate' _diffrn_detector_area_resol_mean ? _diffrn_measured_fraction_theta_full 1.000 _diffrn_measured_fraction_theta_max 0.985 _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 -20.00 31.00 0.50 0.50 -- 0.00 -82.00-120.00 102 2 \w 89.00 116.00 0.50 0.50 -- 28.00 68.00-114.56 54 3 \w 4.00 56.00 0.50 0.50 -- 28.00 68.00-114.56 104 4 \w -18.00 58.00 0.50 0.50 -- 40.00 -62.00 -14.16 152 5 \w 22.00 47.00 0.50 0.50 -- 48.00 70.00 129.40 50 6 \w 26.00 53.00 0.50 0.50 -- 52.00 72.00 -16.02 54 7 \w 25.00 71.00 0.50 0.50 -- 52.00 72.00-152.34 92 8 \w 28.00 56.00 0.50 0.50 -- 52.00 73.00 -76.52 56 9 \w 107.00 138.00 0.50 0.50 -- 52.00 72.00-152.34 62 10 \w 29.00 66.00 0.50 0.50 -- 56.00 73.00 144.29 74 11 \w 29.00 61.00 0.50 0.50 -- 56.00 71.00 7.52 64 12 \w 30.00 55.00 0.50 0.50 -- 56.00 72.00-116.54 50 13 \w 87.00 113.00 0.50 0.50 -- 56.00 73.00 144.29 52 14 \w 38.00 64.00 0.50 0.50 -- 64.00 70.00-178.71 52 15 \w 45.00 70.00 0.50 0.50 -- 68.00 66.00-105.12 50 16 \w 40.00 69.00 0.50 0.50 -- 68.00 75.00 43.48 58 17 \w 40.00 68.00 0.50 0.50 -- 68.00 75.00 -40.38 56 18 \w 40.00 75.00 0.50 0.50 -- 68.00 75.00 14.92 70 19 \w 106.00 152.00 0.50 0.50 -- 72.00 75.00 55.31 92 20 \w 45.00 74.00 0.50 0.50 -- 72.00 75.00 55.31 58 21 \w 50.00 78.00 0.50 0.50 -- 72.00 57.00-121.26 56 22 \w 99.00 164.00 0.50 0.50 -- 76.00 75.00 -73.64 130 23 \w 48.00 81.00 0.50 0.50 -- 76.00 75.00 -73.64 66 24 \w 48.00 78.00 0.50 0.50 -- 76.00 74.00 82.43 60 25 \w 133.00 159.00 0.50 0.50 -- 76.00 72.00 -20.77 52 26 \w 49.00 74.00 0.50 0.50 -- 76.00 72.00 -20.77 50 27 \w 58.00 106.00 0.50 0.50 -- 80.00 63.00 126.32 96 28 \w 130.00 157.00 0.50 0.50 -- 80.00 63.00 126.32 54 29 \w 61.00 87.00 0.50 0.50 -- 84.00 73.00 2.44 52 30 \w 74.00 118.00 0.50 0.50 -- 95.20 61.00-180.00 88 31 \w 126.00 182.00 0.50 0.50 -- 95.20 45.00 90.00 112 32 \w 80.00 116.00 0.50 0.50 -- 95.20 45.00 90.00 72 33 \w 6.00 125.00 0.50 0.50 -- 95.20 -82.00 -90.00 238 34 \w 6.00 119.00 0.50 0.50 -- 95.20 -82.00 60.00 226 35 \w 47.00 114.00 0.50 0.50 -- 95.20 -61.00 -90.00 134 36 \w 72.00 159.00 0.50 0.50 -- 95.20 61.00-120.00 174 37 \w 73.00 163.00 0.50 0.50 -- 95.20 57.00 -98.19 180 38 \w 69.00 158.00 0.50 0.50 -- 95.20 72.00 150.23 178 39 \w 77.00 165.00 0.50 0.50 -- 95.20 45.00 120.00 176 40 \w 140.00 184.00 0.50 0.50 -- 95.20 72.00 -21.74 88 41 \w 9.00 109.00 0.50 0.50 -- 95.20 -77.00-180.00 200 42 \w 68.00 116.00 0.50 0.50 -- 95.20 72.00 -21.74 96 43 \w 72.00 175.00 0.50 0.50 -- 95.20 61.00 -30.00 206 44 \w 73.00 168.00 0.50 0.50 -- 95.20 61.00-150.00 190 45 \w 129.00 177.00 0.50 0.50 -- 95.20 66.00 22.60 96 46 \w 76.00 124.00 0.50 0.50 -- 95.20 45.00 -60.00 96 47 \w 70.00 121.00 0.50 0.50 -- 95.20 66.00 22.60 102 48 \w 70.00 130.00 0.50 0.50 -- 95.20 67.00 39.70 120 49 \w 45.00 119.00 0.50 0.50 -- 95.20 -61.00 0.00 148 50 \w 8.00 35.00 0.50 0.50 -- 95.20 -61.00 0.00 54 51 \w 160.00 185.00 0.50 0.50 -- 95.20 61.00 150.00 50 52 \w 72.00 97.00 0.50 0.50 -- 95.20 61.00 150.00 50 53 \w 60.00 101.00 0.50 0.50 -- 96.00 -82.00 154.23 82 54 \w 8.00 43.00 0.50 0.50 -- 96.00 -82.00 154.23 70 ; _diffrn_measurement_device 'four-circle diffractometer' _diffrn_measurement_device_type 'XtaLAB AFC12 (RINC): Kappa single' _diffrn_measurement_method '\w scans' _diffrn_orient_matrix_type 'CrysAlisPro convention (1999,Acta A55,543-557)' _diffrn_orient_matrix_UB_11 -0.0091382000 _diffrn_orient_matrix_UB_12 -0.0729387000 _diffrn_orient_matrix_UB_13 0.0627871000 _diffrn_orient_matrix_UB_21 0.0247281000 _diffrn_orient_matrix_UB_22 0.1201876000 _diffrn_orient_matrix_UB_23 0.0389875000 _diffrn_orient_matrix_UB_31 -0.2692085000 _diffrn_orient_matrix_UB_32 0.0135316000 _diffrn_orient_matrix_UB_33 -0.0073126000 _diffrn_radiation_monochromator graphite _diffrn_radiation_probe x-ray _diffrn_radiation_type 'Cu K\a' _diffrn_radiation_wavelength 1.54184 _diffrn_source 'fine-focus sealed X-ray tube' _diffrn_source_type 'Enhance (Cu) X-ray Source' _reflns_Friedel_coverage 0.000 _reflns_Friedel_fraction_full . _reflns_Friedel_fraction_max . _reflns_number_gt 2443 _reflns_number_total 2608 _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 1.171.39.28b (Rigaku OD, 2015)' _computing_data_collection 'CrysAlisPro 1.171.39.28b (Rigaku OD, 2015)' _computing_data_reduction 'CrysAlisPro 1.171.39.28b (Rigaku OD, 2015)' _computing_molecular_graphics 'Olex2 1.5-beta (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 1.5-beta (Dolomanov et al., 2009)' _computing_structure_refinement 'SHELXL 2018/3 (Sheldrick, 2015)' _computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)' _refine_diff_density_max 0.235 _refine_diff_density_min -0.332 _refine_diff_density_rms 0.048 _refine_ls_extinction_coef . _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.050 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 174 _refine_ls_number_reflns 2608 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0398 _refine_ls_R_factor_gt 0.0378 _refine_ls_restrained_S_all 1.050 _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^)+(0.0455P)^2^+0.5657P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0959 _refine_ls_wR_factor_ref 0.0973 _refine_special_details ? _olex2_refinement_description ; 1. Fixed Uiso At 1.2 times of: All C(H) groups, All C(H,H) groups, All N(H) groups At 1.5 times of: All C(H,H,H) groups 2.a Ternary CH refined with riding coordinates: C15(H15) 2.b Secondary CH2 refined with riding coordinates: C5(H5A,H5B) 2.c Aromatic/amide H refined with riding coordinates: N3(H3), C2(H2), C3(H3A), C7(H7), C9(H9), C10(H10), C11(H11), C12(H12) 2.d Idealised Me refined as rotating group: C14(H14A,H14B,H14C), C16(H16A,H16B,H16C) ; _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 N1 N 0.06759(17) 0.43970(9) 0.39698(5) 0.0202(2) Uani 1 1 d . . . . . N2 N 0.42932(16) 0.44701(9) 0.31848(4) 0.0183(2) Uani 1 1 d . . . . . N3 N 0.73479(17) 0.83154(9) 0.26208(4) 0.0179(2) Uani 1 1 d . . . . . H3 H 0.864035 0.861410 0.249231 0.021 Uiso 1 1 calc R U . . . C1 C 0.2583(2) 0.36924(10) 0.40990(5) 0.0170(2) Uani 1 1 d . . . . . C2 C 0.4358(2) 0.37282(10) 0.36968(5) 0.0191(2) Uani 1 1 d . . . . . H2 H 0.567289 0.320185 0.379054 0.023 Uiso 1 1 calc R U . . . C3 C 0.0615(2) 0.51429(10) 0.34604(5) 0.0195(2) Uani 1 1 d . . . . . H3A H -0.072210 0.565181 0.335999 0.023 Uiso 1 1 calc R U . . . C4 C 0.24212(19) 0.52089(10) 0.30693(5) 0.0163(2) Uani 1 1 d . . . . . C5 C 0.2375(2) 0.61140(10) 0.25194(5) 0.0177(2) Uani 1 1 d . . . . . H5A H 0.269780 0.567520 0.212419 0.021 Uiso 1 1 calc R U . . . H5B H 0.078802 0.647898 0.243678 0.021 Uiso 1 1 calc R U . . . C6 C 0.41505(19) 0.71198(10) 0.26613(5) 0.0163(2) Uani 1 1 d . . . . . C7 C 0.60221(19) 0.73686(10) 0.23333(5) 0.0176(2) Uani 1 1 d . . . . . H7 H 0.636318 0.694574 0.195761 0.021 Uiso 1 1 calc R U . . . C8 C 0.42707(19) 0.79945(10) 0.31815(5) 0.0159(2) Uani 1 1 d . . . . . C9 C 0.2853(2) 0.82543(11) 0.36703(5) 0.0192(2) Uani 1 1 d . . . . . H9 H 0.146255 0.779722 0.370348 0.023 Uiso 1 1 calc R U . . . C10 C 0.3520(2) 0.91874(11) 0.41019(5) 0.0215(3) Uani 1 1 d . . . . . H10 H 0.255544 0.937870 0.442842 0.026 Uiso 1 1 calc R U . . . C11 C 0.5590(2) 0.98571(11) 0.40676(5) 0.0207(3) Uani 1 1 d . . . . . H11 H 0.602199 1.047758 0.437815 0.025 Uiso 1 1 calc R U . . . C12 C 0.7011(2) 0.96301(10) 0.35899(5) 0.0186(2) Uani 1 1 d . . . . . H12 H 0.841601 1.008103 0.356674 0.022 Uiso 1 1 calc R U . . . C13 C 0.63027(19) 0.87124(10) 0.31428(5) 0.0163(2) Uani 1 1 d . . . . . C14 C 0.0493(3) 0.21386(14) 0.47070(7) 0.0382(4) Uani 1 1 d . . . . . H14A H -0.082629 0.269456 0.474478 0.057 Uiso 1 1 calc R U . . . H14B H 0.067942 0.158251 0.507805 0.057 Uiso 1 1 calc R U . . . H14C H 0.018383 0.166038 0.430876 0.057 Uiso 1 1 calc R U . . . C15 C 0.2731(2) 0.28820(10) 0.46904(5) 0.0198(3) Uani 1 1 d . . . . . H15 H 0.406192 0.229612 0.467087 0.024 Uiso 1 1 calc R U . . . C16 C 0.3245(3) 0.36477(12) 0.53030(6) 0.0299(3) Uani 1 1 d . . . . . H16A H 0.479320 0.403153 0.531080 0.045 Uiso 1 1 calc R U . . . H16B H 0.322810 0.311783 0.568137 0.045 Uiso 1 1 calc R U . . . H16C H 0.204488 0.428523 0.530980 0.045 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 N1 0.0202(5) 0.0200(5) 0.0213(5) 0.0013(4) 0.0070(4) 0.0006(4) N2 0.0181(5) 0.0196(5) 0.0177(5) -0.0004(4) 0.0047(4) 0.0008(4) N3 0.0169(5) 0.0196(5) 0.0183(5) -0.0007(4) 0.0068(4) -0.0020(4) C1 0.0188(6) 0.0152(5) 0.0172(5) -0.0021(4) 0.0034(4) -0.0014(4) C2 0.0187(6) 0.0192(6) 0.0196(5) 0.0002(4) 0.0038(4) 0.0027(4) C3 0.0176(6) 0.0187(6) 0.0229(6) 0.0010(4) 0.0049(4) 0.0015(4) C4 0.0168(5) 0.0152(5) 0.0169(5) -0.0026(4) 0.0021(4) -0.0024(4) C5 0.0183(6) 0.0182(5) 0.0166(5) -0.0002(4) 0.0025(4) -0.0007(4) C6 0.0170(6) 0.0165(5) 0.0154(5) 0.0022(4) 0.0021(4) 0.0016(4) C7 0.0200(6) 0.0169(5) 0.0164(5) -0.0008(4) 0.0043(4) 0.0010(4) C8 0.0159(5) 0.0161(5) 0.0156(5) 0.0028(4) 0.0020(4) 0.0015(4) C9 0.0178(6) 0.0221(6) 0.0183(5) 0.0022(4) 0.0050(4) 0.0003(4) C10 0.0237(6) 0.0254(6) 0.0164(5) -0.0003(4) 0.0061(4) 0.0042(5) C11 0.0255(6) 0.0184(6) 0.0177(5) -0.0028(4) 0.0005(4) 0.0021(4) C12 0.0190(6) 0.0162(5) 0.0202(5) 0.0021(4) 0.0012(4) -0.0003(4) C13 0.0170(5) 0.0167(5) 0.0155(5) 0.0022(4) 0.0032(4) 0.0020(4) C14 0.0375(8) 0.0383(8) 0.0374(8) 0.0179(6) -0.0022(6) -0.0147(6) C15 0.0220(6) 0.0194(6) 0.0187(5) 0.0019(4) 0.0057(4) 0.0017(4) C16 0.0426(8) 0.0276(7) 0.0193(6) 0.0005(5) 0.0024(5) 0.0066(6) _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 N1 C1 1.3383(15) . ? N1 C3 1.3365(15) . ? N2 C2 1.3380(15) . ? N2 C4 1.3416(14) . ? N3 H3 0.8800 . ? N3 C7 1.3778(15) . ? N3 C13 1.3742(14) . ? C1 C2 1.3942(16) . ? C1 C15 1.5130(15) . ? C2 H2 0.9500 . ? C3 H3A 0.9500 . ? C3 C4 1.3943(15) . ? C4 C5 1.5123(15) . ? C5 H5A 0.9900 . ? C5 H5B 0.9900 . ? C5 C6 1.5027(15) . ? C6 C7 1.3666(15) . ? C6 C8 1.4415(15) . ? C7 H7 0.9500 . ? C8 C9 1.4063(15) . ? C8 C13 1.4144(15) . ? C9 H9 0.9500 . ? C9 C10 1.3834(16) . ? C10 H10 0.9500 . ? C10 C11 1.4031(17) . ? C11 H11 0.9500 . ? C11 C12 1.3828(16) . ? C12 H12 0.9500 . ? C12 C13 1.3964(15) . ? C14 H14A 0.9800 . ? C14 H14B 0.9800 . ? C14 H14C 0.9800 . ? C14 C15 1.5225(17) . ? C15 H15 1.0000 . ? C15 C16 1.5272(16) . ? C16 H16A 0.9800 . ? C16 H16B 0.9800 . ? C16 H16C 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 C3 N1 C1 117.05(10) . . ? C2 N2 C4 116.97(10) . . ? C7 N3 H3 125.9 . . ? C13 N3 H3 125.9 . . ? C13 N3 C7 108.18(9) . . ? N1 C1 C2 119.99(10) . . ? N1 C1 C15 117.81(10) . . ? C2 C1 C15 122.20(10) . . ? N2 C2 C1 122.99(10) . . ? N2 C2 H2 118.5 . . ? C1 C2 H2 118.5 . . ? N1 C3 H3A 118.5 . . ? N1 C3 C4 123.06(10) . . ? C4 C3 H3A 118.5 . . ? N2 C4 C3 119.86(10) . . ? N2 C4 C5 118.10(10) . . ? C3 C4 C5 122.02(10) . . ? C4 C5 H5A 109.2 . . ? C4 C5 H5B 109.2 . . ? H5A C5 H5B 107.9 . . ? C6 C5 C4 112.08(9) . . ? C6 C5 H5A 109.2 . . ? C6 C5 H5B 109.2 . . ? C7 C6 C5 126.89(10) . . ? C7 C6 C8 105.97(10) . . ? C8 C6 C5 127.12(10) . . ? N3 C7 H7 124.6 . . ? C6 C7 N3 110.89(10) . . ? C6 C7 H7 124.6 . . ? C9 C8 C6 134.40(10) . . ? C9 C8 C13 118.71(10) . . ? C13 C8 C6 106.89(9) . . ? C8 C9 H9 120.6 . . ? C10 C9 C8 118.81(11) . . ? C10 C9 H9 120.6 . . ? C9 C10 H10 119.3 . . ? C9 C10 C11 121.38(10) . . ? C11 C10 H10 119.3 . . ? C10 C11 H11 119.4 . . ? C12 C11 C10 121.19(10) . . ? C12 C11 H11 119.4 . . ? C11 C12 H12 121.3 . . ? C11 C12 C13 117.41(10) . . ? C13 C12 H12 121.3 . . ? N3 C13 C8 108.05(10) . . ? N3 C13 C12 129.52(10) . . ? C12 C13 C8 122.42(10) . . ? H14A C14 H14B 109.5 . . ? H14A C14 H14C 109.5 . . ? H14B C14 H14C 109.5 . . ? C15 C14 H14A 109.5 . . ? C15 C14 H14B 109.5 . . ? C15 C14 H14C 109.5 . . ? C1 C15 C14 111.28(10) . . ? C1 C15 H15 108.1 . . ? C1 C15 C16 110.53(9) . . ? C14 C15 H15 108.1 . . ? C14 C15 C16 110.67(11) . . ? C16 C15 H15 108.1 . . ? C15 C16 H16A 109.5 . . ? C15 C16 H16B 109.5 . . ? C15 C16 H16C 109.5 . . ? H16A C16 H16B 109.5 . . ? H16A C16 H16C 109.5 . . ? H16B C16 H16C 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 N1 C1 C2 N2 1.88(17) . . . . ? N1 C1 C15 C14 49.94(14) . . . . ? N1 C1 C15 C16 -73.44(13) . . . . ? N1 C3 C4 N2 2.39(17) . . . . ? N1 C3 C4 C5 -176.30(10) . . . . ? N2 C4 C5 C6 -69.70(13) . . . . ? C1 N1 C3 C4 0.05(17) . . . . ? C2 N2 C4 C3 -2.57(15) . . . . ? C2 N2 C4 C5 176.17(10) . . . . ? C2 C1 C15 C14 -130.55(12) . . . . ? C2 C1 C15 C16 106.07(13) . . . . ? C3 N1 C1 C2 -2.09(16) . . . . ? C3 N1 C1 C15 177.43(10) . . . . ? C3 C4 C5 C6 109.01(12) . . . . ? C4 N2 C2 C1 0.55(16) . . . . ? C4 C5 C6 C7 117.28(12) . . . . ? C4 C5 C6 C8 -60.69(14) . . . . ? C5 C6 C7 N3 -176.64(10) . . . . ? C5 C6 C8 C9 -4.3(2) . . . . ? C5 C6 C8 C13 176.67(10) . . . . ? C6 C8 C9 C10 179.98(11) . . . . ? C6 C8 C13 N3 1.03(12) . . . . ? C6 C8 C13 C12 -177.73(10) . . . . ? C7 N3 C13 C8 -0.03(12) . . . . ? C7 N3 C13 C12 178.61(11) . . . . ? C7 C6 C8 C9 177.34(12) . . . . ? C7 C6 C8 C13 -1.64(12) . . . . ? C8 C6 C7 N3 1.67(12) . . . . ? C8 C9 C10 C11 -1.19(17) . . . . ? C9 C8 C13 N3 -178.14(9) . . . . ? C9 C8 C13 C12 3.11(16) . . . . ? C9 C10 C11 C12 1.70(17) . . . . ? C10 C11 C12 C13 0.19(16) . . . . ? C11 C12 C13 N3 178.93(11) . . . . ? C11 C12 C13 C8 -2.60(16) . . . . ? C13 N3 C7 C6 -1.06(13) . . . . ? C13 C8 C9 C10 -1.14(16) . . . . ? C15 C1 C2 N2 -177.62(10) . . . . ? _shelx_res_file ; TITL 20231215_c73-1_a.res in P2(1)/n 20231215_c73-1.res created by SHELXL-2018/3 at 15:40:20 on 19-Dec-2023 REM Old TITL 20231215_C73-1 in P2(1)/n REM SHELXT solution in P2(1)/n: R1 0.117, Rweak 0.033, Alpha 0.018 REM 0.646 for 149 systematic absences, Orientation as input REM Formula found by SHELXT: C16 N3 CELL 1.54184 5.736073 10.909275 20.88001 90 96.7304 90 ZERR 4 0.000047 0.00007 0.000137 0 0.0006 0 LATT 1 SYMM 0.5-X,0.5+Y,0.5-Z SFAC C H N UNIT 64 68 12 L.S. 20 0 0 PLAN 8 SIZE 0.11 0.12 0.15 TEMP -120 CONF BOND list 4 MORE -1 fmap 2 53 BOND $H ACTA REM REM REM WGHT 0.045500 0.565700 FVAR 0.77506 N1 3 0.067593 0.439705 0.396984 11.00000 0.02022 0.02004 = 0.02132 0.00134 0.00698 0.00057 N2 3 0.429319 0.447013 0.318478 11.00000 0.01813 0.01959 = 0.01767 -0.00038 0.00466 0.00078 N3 3 0.734788 0.831538 0.262078 11.00000 0.01691 0.01961 = 0.01828 -0.00069 0.00683 -0.00198 AFIX 43 H3 2 0.864035 0.861410 0.249231 11.00000 -1.20000 AFIX 0 C1 1 0.258291 0.369241 0.409900 11.00000 0.01883 0.01523 = 0.01720 -0.00212 0.00340 -0.00136 C2 1 0.435776 0.372821 0.369679 11.00000 0.01866 0.01924 = 0.01964 0.00021 0.00377 0.00268 AFIX 43 H2 2 0.567289 0.320185 0.379054 11.00000 -1.20000 AFIX 0 C3 1 0.061469 0.514287 0.346037 11.00000 0.01763 0.01865 = 0.02293 0.00098 0.00491 0.00154 AFIX 43 H3A 2 -0.072210 0.565181 0.335999 11.00000 -1.20000 AFIX 0 C4 1 0.242117 0.520887 0.306931 11.00000 0.01683 0.01515 = 0.01686 -0.00257 0.00210 -0.00239 C5 1 0.237498 0.611401 0.251937 11.00000 0.01828 0.01819 = 0.01662 -0.00018 0.00247 -0.00071 AFIX 23 H5A 2 0.269780 0.567520 0.212419 11.00000 -1.20000 H5B 2 0.078802 0.647898 0.243678 11.00000 -1.20000 AFIX 0 C6 1 0.415046 0.711975 0.266129 11.00000 0.01696 0.01648 = 0.01538 0.00215 0.00207 0.00157 C7 1 0.602209 0.736865 0.233331 11.00000 0.01998 0.01690 = 0.01638 -0.00078 0.00434 0.00098 AFIX 43 H7 2 0.636318 0.694574 0.195761 11.00000 -1.20000 AFIX 0 C8 1 0.427073 0.799446 0.318153 11.00000 0.01593 0.01612 = 0.01557 0.00283 0.00197 0.00145 C9 1 0.285301 0.825427 0.367030 11.00000 0.01778 0.02212 = 0.01833 0.00215 0.00498 0.00028 AFIX 43 H9 2 0.146255 0.779722 0.370348 11.00000 -1.20000 AFIX 0 C10 1 0.351952 0.918736 0.410193 11.00000 0.02368 0.02540 = 0.01637 -0.00028 0.00615 0.00416 AFIX 43 H10 2 0.255544 0.937870 0.442842 11.00000 -1.20000 AFIX 0 C11 1 0.558954 0.985707 0.406761 11.00000 0.02547 0.01843 = 0.01767 -0.00285 0.00053 0.00212 AFIX 43 H11 2 0.602199 1.047758 0.437815 11.00000 -1.20000 AFIX 0 C12 1 0.701148 0.963013 0.358989 11.00000 0.01901 0.01624 = 0.02016 0.00207 0.00121 -0.00028 AFIX 43 H12 2 0.841601 1.008103 0.356674 11.00000 -1.20000 AFIX 0 C13 1 0.630272 0.871244 0.314282 11.00000 0.01704 0.01666 = 0.01551 0.00223 0.00319 0.00200 C14 1 0.049263 0.213864 0.470698 11.00000 0.03746 0.03828 = 0.03735 0.01794 -0.00216 -0.01467 AFIX 137 H14A 2 -0.082629 0.269456 0.474478 11.00000 -1.50000 H14B 2 0.067942 0.158251 0.507805 11.00000 -1.50000 H14C 2 0.018383 0.166038 0.430876 11.00000 -1.50000 AFIX 0 C15 1 0.273126 0.288195 0.469041 11.00000 0.02202 0.01935 = 0.01869 0.00189 0.00572 0.00167 AFIX 13 H15 2 0.406192 0.229612 0.467087 11.00000 -1.20000 AFIX 0 C16 1 0.324541 0.364773 0.530297 11.00000 0.04264 0.02760 = 0.01929 0.00055 0.00236 0.00658 AFIX 137 H16A 2 0.479320 0.403153 0.531080 11.00000 -1.50000 H16B 2 0.322810 0.311783 0.568137 11.00000 -1.50000 H16C 2 0.204488 0.428523 0.530980 11.00000 -1.50000 AFIX 0 HKLF 4 REM 20231215_c73-1_a.res in P2(1)/n REM wR2 = 0.0973, GooF = S = 1.050, Restrained GooF = 1.050 for all data REM R1 = 0.0378 for 2443 Fo > 4sig(Fo) and 0.0398 for all 2608 data REM 174 parameters refined using 0 restraints END WGHT 0.0447 0.5522 REM Highest difference peak 0.235, deepest hole -0.332, 1-sigma level 0.048 Q1 1 0.2641 0.3259 0.4388 11.00000 0.05 0.24 Q2 1 0.1347 0.5078 0.3191 11.00000 0.05 0.18 Q3 1 0.7997 0.8883 0.2345 11.00000 0.05 0.17 Q4 1 0.5303 0.8370 0.3209 11.00000 0.05 0.15 Q5 1 -0.0526 0.4434 0.4227 11.00000 0.05 0.14 Q6 1 0.2336 0.5663 0.2807 11.00000 0.05 0.14 Q7 1 0.4294 0.7420 0.2997 11.00000 0.05 0.14 Q8 1 0.1797 0.5368 0.3358 11.00000 0.05 0.14 ; _shelx_res_checksum 61401 _shelx_hkl_file ; 0 0 1 0.13 0.09 0 0 -1 0.06 0.10 0 0 1 0.16 0.14 0 0 2 1951.71 108.75 0 0 2 2100.70 108.73 0 0 -2 2050.94 108.76 0 0 2 2212.53 108.75 0 0 -3 0.05 0.45 0 0 3 0.08 0.35 0 0 3 -0.03 0.43 0 0 3 0.40 0.48 0 0 3 -0.11 0.35 0 0 4 13.80 1.00 0 0 4 13.59 1.10 0 0 -4 15.14 1.05 0 0 -4 13.80 1.05 0 0 4 14.94 1.04 0 0 4 12.85 1.03 0 0 5 1.43 0.65 0 0 5 0.44 0.55 0 0 5 -0.57 0.59 0 0 -5 0.37 0.53 0 0 5 -0.04 0.50 0 0 -5 0.13 0.57 0 0 5 -0.47 0.54 0 0 -5 0.32 0.59 0 0 6 245.60 12.60 0 0 6 239.71 12.53 0 0 -6 240.01 12.53 0 0 6 252.10 12.59 0 0 6 235.45 12.54 0 0 -6 236.63 12.57 0 0 6 242.24 12.60 0 0 7 -0.33 0.58 0 0 -7 0.11 0.58 0 0 7 -0.20 0.51 0 0 -7 -0.05 0.54 0 0 7 0.69 0.69 0 0 7 -0.23 0.70 0 0 7 0.37 0.54 0 0 -8 486.01 27.46 0 0 8 586.13 27.58 0 0 8 549.19 27.53 0 0 8 538.65 27.57 0 0 -8 514.41 27.53 0 0 8 522.69 27.46 0 0 8 561.82 27.47 0 0 9 -0.49 0.75 0 0 9 -0.44 0.71 0 0 -9 -0.07 0.59 0 0 9 0.54 0.61 0 0 9 0.13 0.60 0 0 9 0.22 0.70 0 0 9 -0.05 0.51 0 0 9 -0.31 0.54 0 0 -10 60.77 3.67 0 0 10 57.75 3.48 0 0 10 54.94 3.54 0 0 -10 53.45 3.50 0 0 -10 55.08 3.46 0 0 10 54.38 3.60 0 0 10 56.54 3.37 0 0 10 59.76 3.56 0 0 10 59.85 3.47 0 0 10 60.82 3.47 0 0 10 58.54 3.60 0 0 -11 0.45 0.72 0 0 -11 -0.85 0.70 0 0 -11 0.10 0.75 0 0 11 0.74 0.72 0 0 11 0.26 0.52 0 0 11 -0.26 0.78 0 0 -11 -0.21 0.81 0 0 11 -0.15 0.60 0 0 11 0.51 0.58 0 0 11 0.10 0.70 0 0 11 -0.16 0.66 0 0 11 -0.26 0.62 0 0 -11 -0.18 0.80 0 0 12 233.91 12.56 0 0 -12 257.73 12.72 0 0 12 231.52 12.59 0 0 12 234.99 12.69 0 0 -12 219.03 12.67 0 0 12 243.17 12.54 0 0 12 229.74 12.63 0 0 -12 233.79 12.61 0 0 12 224.62 12.41 0 0 12 240.33 12.47 0 0 -12 228.26 12.61 0 0 -12 233.02 12.77 0 0 13 -0.81 0.73 0 0 -13 -0.41 1.01 0 0 13 -0.08 0.57 0 0 -13 0.24 0.85 0 0 -13 -0.13 0.94 0 0 13 -0.34 0.77 0 0 13 0.42 0.84 0 0 13 0.74 0.74 0 0 13 0.28 0.68 0 0 13 0.24 0.87 0 0 -14 1648.55 84.83 0 0 14 1674.44 84.77 0 0 -14 1598.14 84.90 0 0 14 1594.84 84.56 0 0 14 1697.96 84.74 0 0 14 1632.12 84.39 0 0 14 1672.23 84.62 0 0 -14 1771.24 84.87 0 0 -15 -0.17 1.30 0 0 15 -0.12 0.95 0 0 -15 0.78 1.13 0 0 -15 1.57 1.20 0 0 15 -0.14 1.00 0 0 15 0.97 1.00 0 0 15 -0.09 0.67 0 0 15 -0.12 0.81 0 0 -16 2.44 1.38 0 0 16 3.58 1.30 0 0 16 4.00 1.19 0 0 16 3.93 1.04 0 0 -16 4.04 1.46 0 0 16 5.88 0.97 0 0 16 4.78 1.28 0 0 -16 3.29 1.31 0 0 17 0.33 1.24 0 0 -17 -0.57 1.09 0 0 -17 1.06 1.24 0 0 17 -0.48 1.03 0 0 17 0.23 0.86 0 0 -17 -0.40 1.44 0 0 17 0.88 0.86 0 0 17 1.21 1.03 0 0 18 1626.05 78.24 0 0 18 1603.63 78.61 0 0 -18 1561.76 78.86 0 0 -18 1463.21 78.73 0 0 18 1448.35 78.09 0 0 18 1541.21 78.56 0 0 -18 1467.55 78.54 0 0 19 0.46 0.80 0 0 -19 0.20 1.25 0 0 -19 1.65 1.47 0 0 -19 0.35 1.10 0 0 -19 0.87 1.39 0 0 19 0.17 1.27 0 0 -20 13.60 1.98 0 0 -20 11.43 1.66 0 0 20 9.87 1.28 0 0 -20 9.92 1.96 0 0 -20 11.81 1.91 0 0 20 11.47 1.74 0 0 21 1.23 1.15 0 0 21 -0.38 0.72 0 0 -21 0.37 1.27 0 0 -21 0.39 1.15 0 0 -21 0.19 1.16 0 0 -21 0.58 1.21 0 0 -21 0.29 1.02 0 0 -22 501.38 26.88 0 0 -22 513.62 26.91 0 0 -22 463.13 26.70 0 0 -22 484.78 26.74 0 0 22 565.16 26.74 0 0 23 0.84 0.94 0 0 -23 -0.42 0.93 0 0 -23 -0.58 0.95 0 0 -23 0.13 0.88 0 0 24 165.13 8.93 0 0 -24 150.91 9.03 0 0 -24 166.29 8.99 0 0 -25 -0.49 0.59 0 0 25 0.83 0.57 0 -1 0 0.32 0.32 0 -1 0 0.23 0.38 0 -1 1 237.72 11.98 0 -1 -1 239.73 12.04 0 -1 -1 244.46 11.99 0 1 1 231.95 11.97 0 1 -1 248.40 11.97 0 -1 2 88.89 4.52 0 1 2 91.62 4.41 0 1 2 86.42 4.39 0 -1 -2 85.97 4.40 0 1 -3 122.73 7.03 0 -1 3 142.28 7.11 0 -1 3 129.46 7.03 0 -1 -3 141.62 7.05 0 1 3 137.21 6.95 0 -1 -3 136.01 6.97 0 1 -4 1884.04 98.93 0 -1 4 1969.55 98.94 0 1 4 1951.75 98.88 0 1 4 1928.80 98.83 0 1 4 2078.64 98.94 0 -1 4 1976.16 99.01 0 -1 -4 1989.07 98.96 0 -1 -4 1945.69 98.86 0 1 4 1896.66 98.91 0 -1 -4 1930.00 98.95 0 1 4 1978.34 98.92 0 1 -5 479.71 25.89 0 -1 5 516.59 25.91 0 1 5 509.33 25.88 0 -1 -5 529.33 25.94 0 1 5 533.98 25.89 0 -1 -5 539.47 25.96 0 1 5 554.43 25.92 0 -1 -5 512.74 25.91 0 -1 5 470.73 25.89 0 1 -5 464.99 25.81 0 1 5 496.78 25.77 0 -1 5 495.80 25.97 0 1 6 0.14 0.63 0 1 6 -0.10 0.68 0 1 -6 0.37 0.54 0 1 6 -0.41 0.43 0 -1 6 0.93 0.65 0 1 6 0.18 0.57 0 -1 6 -0.05 0.57 0 -1 6 -0.72 0.62 0 -1 -6 0.12 0.63 0 -1 6 0.93 0.75 0 -1 -6 0.20 0.63 0 1 -6 -0.25 0.65 0 1 -7 67.83 3.92 0 1 7 64.36 3.92 0 1 7 63.22 3.70 0 1 -7 66.29 3.81 0 1 -7 62.57 3.73 0 1 7 67.08 3.87 0 -1 7 67.27 3.87 0 -1 7 67.62 3.89 0 -1 7 71.37 3.93 0 1 -7 65.95 3.83 0 1 -7 76.77 3.82 0 1 7 66.10 3.88 0 -1 7 67.22 3.90 0 -1 -7 71.77 3.93 0 1 -8 24.21 1.54 0 1 8 19.27 1.58 0 1 -8 19.83 1.60 0 -1 -8 20.82 1.69 0 1 8 21.64 1.67 0 -1 8 19.14 1.64 0 -1 8 21.74 1.63 0 -1 8 21.88 1.66 0 1 -8 23.16 1.59 0 1 8 21.57 1.45 0 1 -8 22.10 1.51 0 -1 8 18.81 1.61 0 1 8 21.13 1.55 0 1 8 20.08 1.61 0 -1 9 29.52 1.99 0 1 9 30.24 2.15 0 -1 -9 27.79 2.14 0 1 -9 32.79 2.00 0 -1 9 31.24 2.09 0 1 -9 32.14 2.13 0 1 9 29.72 2.09 0 -1 9 29.55 2.13 0 -1 9 29.21 2.06 0 1 9 29.36 1.95 0 -1 9 32.27 2.02 0 -1 -9 27.76 1.97 0 -1 9 28.03 2.11 0 1 9 29.15 2.04 0 1 -9 29.42 2.05 0 1 -9 27.74 1.94 0 -1 10 121.02 6.90 0 -1 -10 122.61 7.05 0 1 -10 123.96 6.82 0 -1 10 128.34 6.92 0 1 10 115.38 6.99 0 1 -10 118.18 7.00 0 1 10 134.20 7.08 0 -1 10 125.98 6.84 0 -1 -10 110.36 6.79 0 -1 10 122.22 7.00 0 1 10 130.38 6.79 0 1 -10 123.64 6.96 0 -1 10 134.54 7.08 0 1 10 126.80 6.89 0 1 -10 133.71 6.87 0 -1 10 123.90 6.99 0 1 10 124.37 7.00 0 -1 -10 138.08 7.14 0 1 -10 113.42 6.89 0 -1 10 127.34 6.85 0 1 -10 127.89 7.00 0 -1 -10 134.11 7.12 0 -1 -11 63.82 3.86 0 -1 11 63.39 3.94 0 1 -11 56.53 3.84 0 -1 -11 68.61 4.11 0 -1 11 65.00 3.86 0 -1 11 72.37 3.98 0 1 -11 57.85 3.93 0 1 -11 64.42 3.97 0 1 11 65.94 4.01 0 -1 -11 65.44 4.05 0 -1 11 71.79 4.05 0 -1 11 63.64 3.97 0 1 -11 58.23 3.88 0 -1 11 64.80 3.83 0 1 -11 59.98 3.74 0 1 11 64.98 3.94 0 1 -11 64.49 3.77 0 -1 11 60.06 3.71 0 1 11 61.41 3.67 0 1 11 57.86 3.78 0 1 11 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660.61 34.34 0 4 -3 708.66 33.78 0 -4 3 828.04 34.62 0 4 -3 618.80 33.82 0 -4 -3 639.63 34.10 0 -4 -3 704.77 34.34 0 4 3 685.86 33.81 0 4 3 642.86 33.69 0 -4 3 658.41 33.88 0 -4 -3 682.81 33.85 0 4 3 704.29 33.88 0 4 3 538.59 33.87 0 -4 -4 0.31 1.13 0 -4 4 2.48 0.54 0 -4 4 0.45 0.77 0 4 4 0.83 0.59 0 4 4 0.22 0.48 0 4 -4 0.52 0.48 0 -4 4 0.28 0.78 0 4 -4 0.05 0.55 0 -4 -4 0.27 0.54 0 -4 4 -0.48 1.04 0 4 -4 0.34 0.69 0 -4 -4 1.73 1.04 0 -4 -5 46.60 3.43 0 -4 -5 50.48 3.55 0 4 5 47.20 3.12 0 4 -5 51.87 3.04 0 -4 5 51.57 3.39 0 -4 5 46.20 3.33 0 4 -5 48.46 3.11 0 -4 -5 49.21 3.15 0 4 -5 50.29 3.25 0 -4 -6 492.52 24.26 0 4 -6 476.55 23.77 0 4 -6 444.41 23.91 0 4 -6 493.32 23.74 0 4 6 476.14 23.69 0 -4 6 404.22 23.82 0 4 -6 478.42 23.95 0 -4 6 448.84 23.97 0 -4 -6 479.48 23.94 0 -4 6 461.68 24.08 0 4 6 465.60 23.85 0 -4 -6 435.86 24.02 0 -4 6 485.40 24.09 0 -4 6 407.73 23.95 0 4 -7 203.90 10.82 0 -4 -7 195.70 10.90 0 -4 -7 197.92 10.85 0 -4 7 192.19 11.00 0 4 7 201.42 10.75 0 4 -7 214.79 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165.52 9.79 0 6 -1 0.23 0.71 0 6 -1 0.62 0.63 0 -6 1 -0.31 1.23 0 -6 -1 2.38 1.27 0 -6 1 0.34 0.90 0 -6 1 -0.66 1.31 0 6 -1 0.34 0.63 0 -6 -1 -0.62 1.28 0 6 1 0.09 0.71 0 6 1 -0.26 0.56 0 6 -1 0.38 0.66 0 6 1 0.65 0.63 0 -6 -1 -0.39 1.05 0 6 1 1.21 0.77 0 -6 -1 2.05 1.29 0 6 1 -0.16 0.71 0 6 -1 0.64 0.67 0 6 1 -0.31 0.67 0 -6 -1 -1.03 1.14 0 -6 -2 70.34 4.69 0 6 -2 70.67 4.19 0 6 -2 72.41 4.16 0 6 -2 58.98 4.00 0 -6 -2 61.96 4.66 0 6 2 63.90 4.16 0 -6 -2 72.62 4.67 0 6 2 75.02 4.17 0 -6 2 78.21 4.86 0 6 -2 72.52 4.19 0 6 2 77.30 4.05 0 6 2 69.44 4.18 0 6 2 64.99 4.18 0 6 -2 72.62 4.21 0 6 -2 79.50 4.20 0 -6 2 79.94 5.02 0 6 2 68.12 4.24 0 -6 -2 72.49 4.71 0 -6 -2 63.19 4.69 0 6 2 69.16 4.05 0 -6 2 68.08 4.35 0 6 -3 149.06 7.93 0 -6 3 150.79 8.52 0 -6 -3 138.55 8.43 0 6 -3 134.80 7.79 0 6 -3 147.46 7.95 0 -6 3 138.00 7.96 0 6 3 148.52 8.01 0 6 3 148.56 7.98 0 6 3 153.38 7.69 0 -6 3 140.92 8.37 0 6 3 141.81 7.88 0 6 -3 152.93 7.92 0 6 -3 149.40 7.91 0 6 3 144.04 7.88 0 -6 3 128.78 8.23 0 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9 54.77 3.89 0 6 -9 60.78 4.05 0 6 9 58.97 4.08 0 6 9 62.84 4.03 0 -6 9 57.29 4.29 0 -6 -9 53.47 4.05 0 -6 9 64.11 3.90 0 6 9 59.97 4.03 0 6 9 67.53 3.74 0 6 9 55.69 3.95 0 -6 -9 70.19 4.33 0 6 -9 62.77 4.19 0 6 -9 61.01 3.94 0 -6 9 65.79 4.39 0 -6 -9 54.66 4.35 0 -6 10 50.09 3.53 0 6 -10 48.56 3.55 0 -6 -10 53.35 4.00 0 6 -10 53.57 3.80 0 6 10 51.26 3.66 0 6 10 57.63 3.76 0 -6 -10 55.97 4.17 0 6 10 51.44 3.62 0 -6 -10 51.61 3.83 0 -6 10 54.22 3.75 0 6 10 54.64 3.78 0 6 -10 55.28 3.75 0 -6 10 46.96 3.83 0 6 -11 5.81 1.33 0 -6 -11 7.04 1.61 0 6 11 9.72 1.47 0 -6 11 7.96 1.61 0 6 -11 6.48 1.25 0 -6 11 8.38 1.23 0 6 11 9.48 1.40 0 6 11 5.26 1.47 0 -6 11 8.82 1.47 0 6 11 5.30 1.29 0 6 -11 7.56 1.46 0 -6 -11 6.84 1.72 0 -6 11 6.21 1.42 0 6 11 5.39 1.36 0 6 -11 7.84 1.37 0 -6 -11 8.68 1.53 0 -6 -12 10.96 2.06 0 -6 12 11.20 1.82 0 6 12 12.38 1.76 0 -6 12 14.94 1.79 0 6 12 15.18 1.83 0 6 -12 13.90 1.69 0 6 -12 12.67 1.74 0 6 12 12.56 1.80 0 -6 -12 12.59 1.88 0 6 -12 12.35 1.60 0 -6 12 10.16 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7.61 1.20 0 6 -21 -0.12 0.97 0 6 21 0.57 0.73 0 6 -21 -0.09 0.66 0 -6 21 -0.10 0.73 0 -6 21 -0.33 0.80 0 6 -21 0.98 0.82 0 6 21 0.92 0.79 0 -6 -21 0.92 1.05 0 6 22 5.25 0.88 0 6 -22 5.65 1.03 0 6 22 6.05 0.77 0 -6 22 4.05 0.83 0 -6 -22 4.84 1.41 0 -6 -22 3.19 1.12 0 6 -23 5.03 0.80 0 -6 -23 6.85 1.02 0 6 -23 4.31 0.76 0 6 23 5.93 0.70 0 -6 -23 6.80 1.10 0 7 0 0.28 0.83 0 -7 0 1.26 1.36 0 7 0 0.97 0.80 0 -7 0 -0.57 0.94 0 -7 0 -0.36 1.26 0 7 0 0.56 0.76 0 -7 0 0.36 1.36 0 7 0 0.08 0.71 0 7 1 61.83 3.82 0 -7 1 54.19 4.00 0 7 -1 61.76 3.82 0 7 1 58.66 3.70 0 7 1 58.50 3.80 0 7 -1 56.59 3.81 0 -7 -1 52.96 4.31 0 -7 1 63.23 4.44 0 -7 1 59.48 4.40 0 -7 -1 56.91 4.42 0 7 -1 62.90 3.74 0 7 -1 64.36 3.86 0 7 1 57.13 3.79 0 -7 -1 58.86 4.38 0 -7 -1 59.68 4.23 0 -7 -1 59.36 4.40 0 7 1 63.39 3.71 0 7 -1 65.90 3.79 0 -7 2 345.77 19.63 0 7 2 363.44 19.25 0 7 -2 375.53 19.43 0 -7 2 408.81 20.16 0 7 2 350.54 19.42 0 -7 -2 378.05 19.97 0 -7 -2 379.21 20.20 0 7 -2 401.54 19.52 0 7 -2 359.49 19.39 0 -7 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0 -7 8 2.06 1.06 0 -7 -8 3.08 1.16 0 -7 -8 0.87 1.58 0 7 -8 1.87 1.02 0 -7 -8 0.87 1.29 0 7 8 2.99 1.14 0 -7 8 3.82 1.06 0 7 8 2.53 1.10 0 7 -8 3.88 1.04 0 7 -8 3.46 1.45 0 -7 -9 54.68 4.16 0 7 9 52.84 3.83 0 7 9 61.73 3.97 0 7 -9 53.45 3.71 0 -7 9 53.46 4.11 0 -7 -9 54.47 3.98 0 -7 9 55.89 3.79 0 -7 9 60.01 4.08 0 7 -9 58.30 3.96 0 7 9 57.50 4.00 0 7 9 51.93 3.77 0 -7 -9 49.05 4.40 0 7 -9 58.21 4.08 0 7 9 55.00 3.93 0 -7 9 63.24 4.36 0 7 -9 52.03 3.84 0 7 -10 207.12 11.67 0 7 -10 205.17 11.72 0 7 10 205.50 11.76 0 7 10 207.93 11.65 0 -7 -10 199.80 11.77 0 -7 10 202.74 11.89 0 -7 10 219.43 11.84 0 7 -10 210.76 11.49 0 -7 10 203.91 12.04 0 -7 -10 209.09 12.33 0 7 10 208.51 11.63 0 -7 10 190.81 11.97 0 -7 10 204.61 11.48 0 7 10 215.27 11.68 0 -7 -10 221.78 12.04 0 7 11 5.68 1.31 0 7 11 3.37 1.16 0 -7 11 3.12 1.18 0 7 -11 3.34 1.15 0 -7 -11 3.00 1.76 0 -7 11 4.70 1.58 0 7 11 4.39 1.34 0 -7 -11 5.52 1.50 0 -7 -11 5.10 1.64 0 7 -11 5.98 1.46 0 7 -11 2.38 1.05 0 7 11 4.19 1.29 0 -7 11 4.06 1.52 0 7 -11 3.97 1.37 0 -7 11 4.29 1.32 0 -7 -12 335.33 17.99 0 7 -12 333.59 17.84 0 7 -12 324.64 17.74 0 -7 -12 331.11 18.16 0 7 -12 322.84 17.79 0 7 12 339.96 17.85 0 -7 12 321.74 17.85 0 -7 12 297.60 18.13 0 -7 12 314.80 17.80 0 7 12 341.99 17.75 0 -7 -12 302.22 18.25 0 -7 12 342.37 18.09 0 7 -12 323.30 17.60 0 7 12 338.73 17.85 0 7 13 3.28 1.26 0 -7 13 0.58 1.48 0 -7 13 2.39 1.23 0 -7 -13 1.24 1.43 0 -7 13 2.23 1.11 0 7 13 2.06 1.41 0 7 -13 3.28 1.32 0 -7 -13 2.06 1.32 0 -7 -13 1.42 1.56 0 7 -13 2.77 1.22 0 -7 13 2.63 1.30 0 7 13 2.49 1.18 0 7 -13 3.59 1.17 0 7 -13 0.14 1.18 0 7 13 5.99 1.31 0 -7 14 22.74 2.30 0 7 -14 21.99 2.17 0 7 -14 22.05 2.29 0 7 -14 25.48 2.46 0 -7 -14 23.63 2.50 0 7 -14 24.61 2.37 0 -7 14 25.69 2.51 0 -7 14 23.28 2.53 0 7 14 22.25 2.36 0 7 14 24.83 2.36 0 -7 -14 24.54 3.42 0 7 14 28.05 2.69 0 7 14 28.77 2.62 0 -7 -14 25.81 2.88 0 -7 14 22.83 2.62 0 -7 -14 26.22 2.87 0 -7 -15 52.15 4.51 0 -7 15 38.68 3.22 0 -7 15 40.28 3.17 0 7 15 39.84 3.13 0 7 -15 41.82 3.26 0 7 15 44.86 3.42 0 -7 -15 40.53 3.85 0 7 -15 46.25 3.50 0 -7 15 43.29 3.37 0 -7 15 37.59 3.49 0 -7 -15 37.35 3.36 0 7 15 41.37 3.44 0 7 -15 40.07 3.17 0 7 15 44.10 3.45 0 -7 -15 39.19 3.68 0 -7 16 36.79 2.86 0 -7 -16 33.19 3.33 0 7 16 34.98 2.91 0 7 16 28.16 2.50 0 -7 16 37.41 3.11 0 -7 16 30.53 2.57 0 7 -16 22.89 2.39 0 7 16 33.35 2.81 0 7 -16 26.90 2.79 0 -7 -16 34.49 3.74 0 -7 16 32.39 2.58 0 7 16 36.89 2.96 0 -7 -16 27.82 3.12 0 -7 -16 34.62 3.00 0 -7 -17 162.61 9.10 0 -7 -17 153.25 8.86 0 -7 -17 136.50 9.39 0 7 17 137.40 8.26 0 -7 17 141.96 8.44 0 -7 17 143.98 8.34 0 -7 17 140.38 8.07 0 -7 -17 126.51 8.34 0 7 -17 137.26 8.38 0 7 17 133.45 7.94 0 7 17 148.10 8.39 0 7 -17 145.51 8.47 0 -7 18 29.92 2.59 0 7 -18 27.10 2.53 0 7 18 27.45 2.11 0 7 18 26.17 2.43 0 7 18 26.68 2.36 0 -7 -18 26.61 2.85 0 -7 -18 27.49 2.60 0 -7 -18 30.29 3.34 0 7 -18 25.74 2.54 0 -7 18 30.54 2.50 0 -7 -18 30.81 2.96 0 -7 -19 5.24 1.32 0 7 -19 5.32 1.38 0 -7 19 6.62 1.16 0 7 19 6.43 1.23 0 -7 -19 4.90 1.48 0 7 19 3.80 1.04 0 7 19 5.60 0.82 0 -7 19 6.86 1.32 0 7 -19 3.69 1.08 0 -7 -19 5.65 1.77 0 7 20 132.40 7.27 0 7 -20 134.37 7.40 0 -7 20 134.45 7.43 0 -7 -20 123.16 7.53 0 -7 20 118.34 7.16 0 7 20 126.89 7.31 0 -7 20 145.02 7.46 0 -7 -21 15.14 1.52 0 7 21 11.75 1.21 0 -7 -21 9.41 1.67 0 -7 21 17.09 1.41 0 7 -21 11.40 1.14 0 7 21 14.18 1.19 0 7 -22 38.52 2.34 0 7 -22 33.45 2.34 0 -8 0 6.97 1.54 0 8 0 10.08 1.39 0 -8 0 8.13 1.86 0 8 0 13.55 1.53 0 8 0 9.81 1.31 0 -8 0 11.87 2.00 0 8 0 8.99 1.41 0 -8 1 325.64 16.87 0 8 -1 314.59 16.20 0 8 -1 290.96 16.01 0 -8 -1 277.45 16.49 0 -8 -1 274.76 16.71 0 8 -1 297.38 16.38 0 8 -1 328.59 16.22 0 8 1 318.88 16.16 0 8 1 308.65 16.14 0 8 1 274.35 15.92 0 8 1 298.98 16.17 0 -8 -1 319.34 16.88 0 8 -1 289.94 16.01 0 -8 1 307.13 16.43 0 8 -1 307.04 16.11 0 8 -2 2.69 1.04 0 -8 2 2.50 1.37 0 8 -2 3.63 1.16 0 8 2 3.36 0.89 0 8 -2 4.28 1.22 0 8 -2 1.34 1.27 0 -8 -2 2.59 1.53 0 8 2 2.12 0.97 0 -8 -2 1.61 1.47 0 8 -2 1.99 0.99 0 -8 -2 3.46 1.73 0 -8 -2 3.09 1.61 0 8 2 4.06 1.13 0 8 2 2.02 1.04 0 -8 2 1.75 0.90 0 -8 2 3.10 1.39 0 -8 3 129.76 7.76 0 -8 3 123.96 7.76 0 -8 3 127.10 7.86 0 -8 3 114.65 7.30 0 -8 -3 115.33 7.90 0 8 3 122.59 7.10 0 8 -3 129.72 7.58 0 8 3 124.92 7.18 0 -8 -3 121.52 8.04 0 -8 3 114.70 7.50 0 8 -3 129.43 7.24 0 -8 -3 126.27 7.93 0 8 -3 129.27 7.35 0 -8 -3 108.37 7.68 0 8 3 117.11 6.95 0 8 -3 132.05 7.40 0 8 3 133.88 7.31 0 8 -3 139.74 7.33 0 -8 -4 25.70 2.82 0 8 -4 21.13 2.08 0 8 -4 20.51 2.17 0 -8 4 19.03 2.44 0 8 4 19.10 1.94 0 -8 4 19.53 2.25 0 -8 -4 18.53 2.76 0 -8 -4 16.86 2.38 0 8 4 19.92 1.68 0 8 4 21.49 2.04 0 8 4 19.84 1.86 0 -8 4 24.06 2.19 0 -8 4 21.51 2.39 0 -8 4 21.78 2.35 0 -8 -4 17.60 2.52 0 8 -4 23.70 2.07 0 8 5 79.45 4.90 0 8 5 77.96 4.60 0 8 -5 88.65 5.08 0 8 -5 77.76 5.05 0 -8 5 79.89 5.32 0 -8 5 85.53 5.44 0 -8 -5 77.94 5.76 0 -8 -5 68.61 5.28 0 -8 -5 74.87 5.68 0 -8 5 82.20 5.30 0 8 5 79.62 5.09 0 8 5 79.62 4.87 0 -8 5 74.93 5.11 0 8 -5 69.25 5.07 0 8 5 77.98 4.97 0 8 6 9.13 1.47 0 8 -6 11.98 1.69 0 -8 6 7.36 1.61 0 8 -6 11.62 1.93 0 -8 6 7.85 1.53 0 8 6 10.51 1.44 0 8 6 9.59 1.13 0 -8 6 8.33 1.51 0 -8 -6 11.00 2.23 0 -8 6 9.90 1.74 0 -8 -6 12.65 2.35 0 8 6 10.19 1.54 0 8 6 12.44 1.46 0 -8 -6 6.58 1.49 0 8 6 7.78 1.51 0 8 -6 11.08 1.54 0 -8 7 523.48 26.65 0 8 7 492.18 26.59 0 8 7 518.58 26.53 0 -8 7 517.11 27.07 0 8 -7 490.65 26.54 0 8 7 481.31 26.42 0 -8 -7 436.04 26.67 0 8 7 558.17 26.51 0 -8 7 498.20 26.91 0 8 7 491.05 26.32 0 -8 7 495.07 26.85 0 -8 -7 518.08 27.31 0 8 -7 514.42 26.61 0 8 -7 486.79 26.78 0 -8 -7 470.26 27.38 0 -8 -7 524.27 27.50 0 -8 7 514.04 26.74 0 8 -7 512.96 26.25 0 -8 -8 17.66 2.85 0 -8 8 20.07 2.49 0 -8 8 19.20 2.23 0 -8 -8 22.38 2.72 0 8 -8 19.82 2.28 0 8 8 15.73 2.00 0 8 8 16.12 2.02 0 -8 8 19.29 2.16 0 8 8 16.91 1.85 0 8 8 19.88 1.97 0 8 -8 14.63 1.89 0 -8 8 22.60 2.47 0 -8 -8 15.62 2.06 0 8 8 17.18 1.98 0 -8 8 16.30 1.90 0 8 -8 18.33 1.81 0 8 -8 24.33 2.12 0 -8 -8 18.72 2.92 0 -8 9 244.15 13.32 0 8 9 242.21 12.82 0 -8 -9 237.13 13.96 0 8 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13.11 0 9 8 237.56 13.15 0 -9 -8 217.41 13.74 0 -9 8 253.92 13.67 0 -9 -8 267.14 14.32 0 -9 8 245.21 13.52 0 9 8 233.98 12.94 0 9 -8 239.45 13.24 0 -9 8 230.53 13.52 0 -9 9 10.23 1.45 0 9 -9 7.36 1.50 0 9 -9 10.66 1.74 0 -9 9 8.96 1.66 0 9 9 8.90 1.62 0 -9 -9 16.57 2.70 0 9 9 9.81 1.39 0 9 9 11.89 1.51 0 -9 9 6.74 1.59 0 -9 9 9.85 1.45 0 -9 -9 9.25 2.03 0 -9 9 10.95 1.82 0 9 9 10.31 1.67 0 -9 9 13.72 2.09 0 -9 -9 10.37 2.43 0 -9 -9 9.39 1.68 0 -9 -10 1.63 1.82 0 9 -10 2.68 0.92 0 9 -10 2.26 1.23 0 9 10 4.03 1.09 0 9 -10 2.61 1.32 0 -9 10 2.54 1.05 0 -9 -10 4.39 1.94 0 -9 -10 4.27 1.41 0 9 10 3.45 1.06 0 -9 10 4.40 1.41 0 -9 -10 2.93 1.66 0 9 10 1.40 1.30 0 9 -10 2.77 1.12 0 -9 10 2.19 1.36 0 -9 10 0.21 1.12 0 9 10 3.51 1.27 0 9 -11 499.57 26.13 0 9 -11 462.05 26.02 0 9 11 483.91 25.67 0 -9 -11 491.90 26.18 0 -9 11 502.31 26.22 0 9 -11 498.78 25.97 0 -9 11 510.90 26.49 0 -9 11 471.68 25.83 0 9 -11 472.14 25.64 0 -9 11 514.77 26.24 0 -9 -11 442.24 26.31 0 -9 -11 494.46 26.93 0 -9 -11 502.82 26.96 0 9 11 529.92 26.12 0 9 11 486.83 25.92 0 9 11 506.53 25.85 0 -9 12 75.49 5.24 0 9 12 78.41 5.22 0 9 12 81.06 4.84 0 9 -12 79.86 5.21 0 -9 -12 68.45 5.34 0 9 12 83.58 5.04 0 9 -12 76.79 4.85 0 -9 -12 81.96 5.96 0 9 12 75.94 5.07 0 -9 12 84.24 5.55 0 9 -12 79.95 5.15 0 -9 12 78.58 5.00 0 -9 -12 80.67 5.95 0 -9 12 84.90 5.28 0 9 -12 74.14 5.12 0 -9 -12 78.33 5.31 0 -9 13 122.84 7.13 0 9 13 123.85 7.02 0 -9 -13 101.17 7.20 0 9 -13 117.60 7.12 0 9 13 117.61 6.73 0 -9 13 124.23 7.04 0 -9 -13 120.16 7.89 0 -9 -13 109.92 7.73 0 9 -13 127.88 7.19 0 9 -13 125.08 7.12 0 -9 13 122.86 7.49 0 9 13 110.20 7.00 0 -9 -13 107.22 7.20 0 -9 13 127.88 7.36 0 9 -14 32.98 2.71 0 -9 14 38.97 2.86 0 9 14 42.72 2.92 0 9 -14 40.86 3.03 0 -9 14 41.76 2.93 0 9 14 36.42 2.80 0 9 -14 37.06 2.95 0 -9 14 37.12 3.08 0 -9 -14 39.31 3.56 0 -9 -14 32.77 3.01 0 -9 15 14.51 1.54 0 9 15 12.72 1.51 0 -9 -15 12.07 2.10 0 -9 15 15.82 1.58 0 9 -15 16.11 1.74 0 -9 15 16.85 1.83 0 -9 -15 14.47 1.82 0 9 15 17.44 1.66 0 -9 15 17.24 1.77 0 9 -15 13.68 1.58 0 -9 16 38.51 2.87 0 -9 -16 33.31 2.83 0 -9 16 35.80 2.64 0 -9 -16 33.84 3.31 0 9 -16 43.78 3.01 0 9 16 36.07 2.77 0 -9 16 36.12 2.58 0 9 16 35.48 2.55 0 9 -16 37.73 2.82 0 9 16 40.44 2.67 0 -9 17 15.73 1.59 0 9 17 14.42 1.50 0 9 17 13.47 1.26 0 -9 17 15.84 1.36 0 -9 -17 12.81 1.62 0 9 -17 15.61 1.57 0 9 -17 13.22 1.60 0 9 17 16.31 1.40 0 9 -18 126.55 6.54 0 -9 18 113.03 6.22 0 9 -18 125.65 6.57 0 9 18 106.00 6.10 0 9 18 111.04 6.20 0 -9 18 108.98 6.46 0 -9 -18 112.26 6.57 0 9 18 121.81 6.39 0 9 -19 39.26 2.38 0 9 19 34.20 2.23 0 9 -19 34.68 2.32 0 10 0 0.66 0.98 0 10 0 -0.77 1.23 0 -10 0 0.22 1.50 0 -10 0 1.44 0.99 0 -10 0 2.51 1.38 0 10 0 -0.15 1.20 0 10 0 -0.18 1.21 0 -10 0 2.12 1.51 0 -10 -1 172.05 11.00 0 -10 1 186.39 10.93 0 10 -1 166.23 10.23 0 10 1 194.99 10.52 0 -10 -1 179.24 10.43 0 -10 -1 191.78 11.07 0 -10 1 174.99 10.53 0 -10 1 190.36 11.01 0 10 -1 186.22 10.56 0 10 1 190.10 10.40 0 10 -1 199.82 10.66 0 10 -1 166.57 10.63 0 -10 -1 186.89 10.92 0 10 1 201.92 10.60 0 10 1 176.52 10.59 0 -10 -2 1.34 1.16 0 -10 -2 0.72 1.61 0 -10 -2 -0.23 1.52 0 10 2 1.02 1.24 0 10 -2 0.49 1.28 0 10 -2 -0.18 1.21 0 10 2 0.30 1.18 0 10 2 0.55 0.93 0 10 2 -0.14 1.03 0 -10 2 0.20 1.23 0 -10 -2 1.01 1.23 0 -10 2 0.86 1.15 0 10 -2 0.63 1.12 0 -10 2 1.91 1.28 0 -10 -3 181.55 11.52 0 10 3 192.35 10.88 0 -10 3 199.61 11.44 0 10 3 193.24 11.07 0 10 -3 206.55 11.33 0 -10 3 188.31 10.83 0 10 3 200.04 10.90 0 -10 -3 196.39 11.27 0 10 -3 194.73 11.06 0 -10 -3 175.72 11.28 0 -10 3 188.52 11.13 0 -10 3 202.26 11.34 0 10 -3 189.29 11.13 0 10 3 198.94 10.99 0 -10 -4 29.06 3.23 0 10 -4 27.28 2.28 0 -10 4 26.80 2.44 0 -10 -4 27.65 2.71 0 -10 4 24.63 2.65 0 -10 -4 29.37 2.99 0 10 -4 25.78 2.60 0 10 4 30.92 2.57 0 -10 4 28.62 2.74 0 10 -4 26.72 2.79 0 -10 4 32.74 2.99 0 -10 4 38.12 3.16 0 -10 4 25.72 2.58 0 10 4 30.56 2.69 0 10 4 30.00 2.49 0 10 5 140.36 8.04 0 10 -5 137.16 7.84 0 -10 -5 140.65 8.29 0 10 5 153.04 8.03 0 -10 5 133.24 8.02 0 -10 5 139.50 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5.06 2.42 -4 -7 5 2.28 1.26 4 -7 -5 3.51 2.52 -4 -7 5 1.06 1.23 4 7 -5 0.29 1.05 -4 -7 5 1.05 0.88 4 7 -5 1.97 1.20 4 -7 -4 13.19 2.38 4 7 -4 13.80 1.80 -4 7 4 11.89 1.81 -4 7 4 13.80 1.74 4 7 -4 11.84 1.84 -4 -7 4 11.25 1.92 -4 -7 4 12.74 1.90 4 7 -4 12.45 1.71 4 -7 -4 15.15 2.16 4 7 -4 13.71 1.80 4 -7 -3 5.59 1.82 4 7 -3 7.62 1.27 4 7 -3 7.09 1.37 -4 7 3 9.32 1.54 -4 7 3 7.39 1.36 4 7 -3 5.60 1.39 -4 -7 3 8.33 1.79 -4 -7 3 3.86 1.29 4 -7 -3 9.68 1.77 4 7 -3 7.53 1.46 4 -7 -2 135.46 8.85 4 7 -2 145.27 8.22 4 7 -2 139.67 8.35 -4 7 2 157.36 8.56 -4 7 2 149.00 8.28 4 -7 -2 147.30 10.30 -4 -7 2 133.41 8.74 4 7 -2 148.38 8.08 -4 -7 2 145.10 8.53 4 -7 -2 121.36 9.04 4 7 -1 0.25 0.93 -4 7 1 -0.60 0.91 4 7 -1 1.45 1.01 -4 7 1 0.31 1.12 -4 7 1 -0.12 0.90 4 7 -1 1.44 0.88 4 -7 -1 1.64 2.36 -4 -7 1 -0.21 1.39 -4 -7 1 0.31 0.96 4 7 -1 0.14 1.09 4 -7 -1 1.07 1.65 4 7 0 21.55 2.01 -4 7 0 22.65 2.26 4 7 0 17.82 1.97 -4 7 0 22.78 2.02 -4 7 0 20.36 2.16 4 7 0 20.50 1.86 4 -7 0 22.74 3.61 -4 -7 0 14.41 2.33 -4 -7 0 20.61 2.10 4 7 0 16.11 1.94 4 -7 0 24.45 2.80 4 7 1 1.83 0.98 -4 7 -1 1.22 1.13 4 7 1 0.72 1.02 -4 7 -1 1.05 1.29 -4 7 -1 1.15 0.98 4 7 1 1.75 0.91 4 -7 1 3.94 2.55 -4 -7 -1 1.12 1.53 -4 -7 -1 2.03 0.90 4 7 1 2.24 1.11 4 -7 1 1.44 1.54 4 7 2 81.01 5.57 4 7 2 92.18 5.72 -4 7 -2 84.81 6.00 -4 7 -2 91.94 5.85 -4 7 -2 95.00 5.50 4 -7 2 95.93 7.37 -4 -7 -2 81.26 6.29 4 7 2 98.17 5.54 -4 -7 -2 92.23 5.64 4 7 2 95.33 5.72 4 -7 2 83.24 6.07 4 7 3 254.89 13.40 -4 7 -3 229.84 13.72 4 7 3 229.29 13.36 -4 7 -3 274.96 13.64 -4 7 -3 247.69 13.17 4 -7 3 247.64 14.92 -4 -7 -3 219.34 13.94 4 7 3 252.04 13.25 -4 -7 -3 249.95 14.27 4 7 3 234.02 13.34 4 -7 3 231.65 13.66 4 -7 4 10.41 2.06 4 7 4 9.14 1.54 4 7 4 10.89 1.58 -4 7 -4 12.08 1.74 -4 7 -4 11.40 1.36 4 7 4 9.97 1.42 4 -7 4 6.31 2.05 -4 -7 -4 11.67 2.18 -4 -7 -4 14.14 2.31 4 7 4 10.65 1.51 4 -7 5 12.84 2.21 4 -7 5 10.26 1.79 4 7 5 11.04 1.56 4 7 5 10.66 1.52 -4 7 -5 9.41 1.74 4 -7 5 12.58 2.25 4 7 5 11.71 1.51 -4 -7 -5 10.09 2.10 -4 -7 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57.07 3.65 4 8 -12 52.02 3.58 -4 -8 11 1.37 0.92 -4 8 11 3.79 1.03 -4 8 11 2.34 1.09 4 -8 -11 1.69 1.12 4 8 -11 2.23 1.06 4 8 -11 1.69 1.06 4 8 -11 1.94 0.99 4 -8 -10 568.48 26.22 -4 -8 10 461.21 24.69 -4 8 10 450.57 24.63 -4 8 10 482.07 24.61 4 -8 -10 482.10 24.93 4 8 -10 467.55 24.73 4 8 -10 444.75 24.69 4 8 -10 456.87 24.65 4 -8 -9 5.75 2.22 -4 -8 9 6.46 1.29 -4 8 9 3.41 1.23 4 8 -9 8.80 1.55 4 8 -9 5.37 1.37 4 8 -9 5.49 1.47 4 -8 -8 19.30 2.89 -4 -8 8 20.02 2.05 -4 8 8 18.64 1.95 -4 -8 8 15.35 1.59 4 8 -8 15.87 1.89 4 8 -8 12.03 1.87 4 8 -8 14.33 1.93 4 -8 -8 18.15 2.32 4 8 -8 16.92 2.01 4 -8 -7 121.01 7.49 -4 -8 7 106.13 6.42 4 8 -7 94.76 6.38 -4 8 7 105.03 6.22 -4 8 7 100.58 6.10 -4 -8 7 98.31 6.02 4 -8 -7 117.36 8.19 -4 -8 7 102.13 6.50 4 8 -7 99.19 6.30 4 8 -7 98.35 6.37 -4 -8 7 99.99 6.09 4 -8 -7 108.97 6.80 4 8 -7 95.10 6.23 -4 -8 6 94.51 6.27 -4 8 6 95.30 6.07 4 8 -6 89.96 6.23 -4 8 6 100.04 6.02 -4 -8 6 102.24 6.05 4 -8 -6 100.72 7.82 -4 -8 6 104.22 6.40 4 8 -6 104.00 6.23 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216.50 12.80 5 -3 -9 225.03 12.51 5 3 -9 195.10 11.99 -5 -3 8 305.96 17.66 5 3 -8 305.41 18.05 -5 3 8 322.58 17.69 -5 3 8 309.95 17.45 -5 3 8 320.88 17.48 5 -3 -8 353.16 18.14 5 -3 -8 331.49 18.68 5 3 -8 334.27 18.29 5 -3 -8 324.59 17.83 5 3 -8 350.31 17.55 -5 -3 7 1.60 1.12 -5 3 7 0.79 1.20 -5 3 7 1.07 0.87 5 3 -7 -0.41 1.41 5 -3 -7 1.00 1.32 -5 3 7 0.13 0.93 5 -3 -7 1.13 1.53 5 3 -7 -0.22 0.81 5 -3 -7 -0.18 1.13 5 3 -7 -0.64 1.07 5 3 -6 129.43 7.69 -5 -3 6 130.70 7.82 -5 3 6 131.17 7.83 5 3 -6 145.43 8.23 -5 3 6 125.39 7.54 -5 3 6 130.08 7.60 5 -3 -6 139.63 8.14 5 -3 -6 127.07 8.60 5 3 -6 127.14 7.43 5 3 -6 123.48 7.53 5 3 -5 152.62 9.27 -5 -3 5 163.74 9.53 -5 3 5 162.59 9.47 5 3 -5 180.02 9.90 -5 3 5 164.63 9.18 -5 3 5 156.54 9.20 5 -3 -5 154.85 10.23 -5 -3 5 162.06 9.74 5 -3 -5 180.45 9.80 5 3 -5 160.84 9.13 5 3 -4 154.02 9.11 -5 -3 4 159.88 9.25 -5 3 4 169.12 9.33 5 3 -4 162.99 9.54 -5 3 4 171.07 8.97 5 -3 -4 132.32 9.76 -5 -3 4 161.33 9.57 5 3 -4 152.62 8.94 -5 -3 3 205.52 12.94 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-5 -3 -3 20.39 2.07 -5 3 -3 17.31 2.27 -5 3 -3 20.81 2.13 -5 -3 -3 21.02 2.57 -5 -3 -3 15.76 2.30 -5 3 -3 15.33 1.89 5 3 3 18.31 1.84 -5 -3 -4 107.38 6.97 -5 3 -4 105.68 6.81 -5 3 -4 95.05 6.34 -5 -3 -4 116.87 7.02 -5 -3 -4 113.14 7.05 -5 3 -4 112.01 6.51 5 3 4 103.25 6.23 5 -3 4 99.01 6.47 5 -3 4 90.33 6.40 -5 -3 -5 197.16 12.00 -5 3 -5 217.24 12.08 -5 3 -5 215.53 11.55 -5 -3 -5 217.91 12.07 -5 -3 -5 201.23 12.01 -5 3 -5 209.19 11.63 5 3 5 196.88 11.32 5 -3 5 185.19 11.49 -5 -3 -6 130.96 8.05 -5 3 -6 126.19 7.54 -5 3 -6 134.66 8.05 -5 -3 -6 135.50 8.05 -5 -3 -6 136.53 8.06 -5 3 -6 119.23 7.56 5 3 6 119.81 7.32 5 -3 6 111.47 7.42 5 -3 7 46.84 3.69 -5 3 -7 48.90 3.74 -5 3 -7 57.44 4.34 -5 -3 -7 54.58 4.11 -5 -3 -7 51.23 4.14 -5 3 -7 49.10 3.79 5 3 7 47.50 3.52 5 -3 7 50.56 3.67 5 -3 8 77.07 5.09 -5 3 -8 76.58 5.08 -5 3 -8 72.11 5.52 -5 -3 -8 82.72 5.45 -5 -3 -8 75.28 5.41 -5 3 -8 78.41 5.25 5 3 8 77.87 4.77 5 3 9 3.70 0.86 -5 3 -9 5.34 1.75 -5 3 -9 4.84 1.42 5 -3 9 4.00 0.98 -5 -3 -9 6.41 1.52 -5 3 -9 4.27 1.37 5 3 10 40.87 2.91 -5 3 -10 45.26 3.79 5 -3 10 47.02 3.09 -5 -3 -10 45.12 3.49 -5 3 -10 49.52 3.59 5 3 11 85.72 5.25 5 -3 11 88.40 5.33 -5 -3 -11 89.33 5.63 -5 -3 -11 106.60 6.07 -5 3 -11 98.69 5.93 5 3 12 65.71 4.08 5 -3 12 66.51 4.02 -5 -3 -12 80.27 4.85 -5 3 -12 76.14 4.74 5 3 13 17.64 1.43 5 3 13 18.35 1.56 -5 3 -13 23.17 2.12 5 -3 13 16.02 1.32 -5 -3 -13 23.54 2.13 -5 3 -13 23.21 2.05 -5 3 -14 80.13 4.60 -5 -3 -14 80.78 4.58 -5 3 -14 76.96 4.48 -5 3 -15 5.58 0.90 -5 3 -15 6.79 0.97 -5 4 19 6.68 0.69 -5 -4 18 191.19 9.34 -5 4 18 173.95 9.25 -5 -4 18 160.52 9.14 5 4 -18 173.25 9.34 5 -4 -18 171.31 9.46 -5 -4 17 15.32 1.46 -5 4 17 15.27 1.42 5 -4 -17 15.61 1.57 5 4 -17 11.81 1.30 5 -4 -16 0.18 1.19 -5 -4 16 0.79 0.89 -5 4 16 1.13 0.81 -5 4 16 0.91 0.73 -5 -4 16 1.01 0.81 5 4 -16 0.10 0.73 5 -4 -15 16.34 2.31 -5 4 15 21.19 1.92 -5 4 15 19.02 1.92 -5 -4 15 21.09 1.87 5 -4 -15 22.15 2.29 5 4 -15 24.38 2.17 5 4 -15 19.02 1.62 5 4 -15 21.13 1.92 -5 4 14 6.42 1.26 -5 4 14 6.29 1.36 5 -4 -14 7.42 1.48 -5 -4 14 8.64 1.35 5 4 -14 6.56 1.07 5 4 -14 4.31 1.18 5 4 -14 7.43 1.52 5 -4 -13 1.49 1.67 -5 4 13 0.52 1.01 -5 4 13 1.42 1.10 5 -4 -13 0.72 1.19 -5 -4 13 1.27 1.08 5 4 -13 0.53 0.90 5 4 -13 0.14 1.10 5 4 -13 -0.57 1.16 5 -4 -12 15.60 2.44 -5 -4 12 14.31 1.84 -5 4 12 11.93 1.75 -5 4 12 11.71 1.79 5 -4 -12 16.64 2.16 -5 -4 12 14.16 1.79 5 4 -12 14.99 1.67 5 4 -12 12.38 1.81 5 -4 -11 37.78 3.48 -5 -4 11 28.70 2.70 -5 4 11 29.62 2.77 5 4 -11 29.52 3.01 -5 4 11 30.81 2.63 -5 -4 11 33.67 2.78 5 -4 -11 32.59 2.96 5 4 -11 30.61 2.58 5 -4 -10 0.48 1.69 -5 -4 10 2.18 1.27 5 4 -10 4.60 1.62 -5 4 10 4.57 1.31 -5 4 10 6.33 1.53 5 -4 -10 3.80 1.46 -5 -4 10 2.24 1.33 5 4 -10 4.87 1.29 5 4 -10 5.02 1.31 5 -4 -9 0.97 1.78 -5 -4 9 -0.64 1.20 5 4 -9 1.47 1.45 -5 4 9 1.12 1.32 -5 4 9 -0.55 1.04 5 -4 -9 1.90 1.34 -5 4 9 2.03 0.97 -5 -4 9 -0.84 1.18 5 -4 -9 -0.92 1.72 5 4 -9 1.53 1.13 5 -4 -8 37.40 3.45 -5 -4 8 33.15 2.89 -5 4 8 33.00 2.89 -5 4 8 36.86 2.72 5 4 -8 27.88 2.98 -5 -4 8 34.42 3.05 5 -4 -8 31.54 2.99 5 -4 -8 28.98 3.55 5 4 -8 29.67 2.47 5 4 -8 26.32 3.16 5 4 -8 35.87 2.75 5 -4 -7 255.06 13.62 -5 -4 7 214.09 12.86 -5 4 7 233.17 12.98 5 4 -7 221.86 13.16 -5 4 7 219.77 12.62 5 -4 -7 189.18 13.56 5 -4 -7 238.97 13.09 -5 -4 7 229.80 13.08 5 4 -7 236.50 12.58 5 4 -7 240.89 12.61 5 4 -7 243.49 12.75 5 -4 -6 0.88 1.58 -5 -4 6 0.33 1.12 5 4 -6 1.02 1.01 -5 4 6 0.95 1.13 -5 4 6 0.38 0.95 5 4 -6 0.38 1.32 -5 -4 6 0.19 1.37 5 -4 -6 -0.88 1.75 5 4 -6 -0.12 0.84 5 4 -6 -0.26 1.00 5 -4 -5 1.03 1.33 -5 -4 5 0.33 1.09 5 4 -5 1.88 1.09 -5 4 5 0.31 1.15 -5 4 5 -0.48 0.85 5 4 -5 1.12 1.31 5 -4 -5 2.62 1.81 5 4 -5 0.37 0.87 5 4 -5 1.41 1.03 5 -4 -4 31.17 2.99 5 4 -4 30.29 2.61 -5 -4 4 32.67 2.78 -5 4 4 30.65 2.75 -5 4 4 28.12 2.39 5 4 -4 28.25 2.83 5 -4 -4 32.02 3.56 5 4 -4 31.34 2.54 5 -4 -3 114.47 7.33 5 4 -3 120.12 7.15 -5 -4 3 120.74 7.32 -5 4 3 125.00 7.30 5 4 -3 120.10 7.42 -5 4 3 124.57 6.89 5 -4 -3 108.01 8.00 5 -4 -3 103.82 8.12 5 4 -3 118.52 7.01 5 4 -2 10.85 1.28 -5 -4 2 10.18 1.66 5 4 -2 9.25 1.56 -5 4 2 11.55 1.77 -5 4 2 11.43 1.27 5 -4 -2 9.37 2.17 -5 -4 2 8.34 1.93 5 -4 -2 9.09 2.40 -5 -4 2 5.42 1.61 5 4 -2 9.37 1.42 5 4 -1 1.39 0.88 -5 -4 1 1.17 1.20 5 4 -1 3.88 1.27 -5 4 1 2.11 1.22 -5 -4 1 0.85 1.48 5 -4 -1 1.26 1.86 -5 -4 1 1.06 1.21 5 4 -1 2.62 1.10 5 4 0 0.79 0.82 -5 -4 0 0.50 1.02 -5 4 0 -0.16 0.92 5 4 0 0.61 1.04 -5 4 0 3.58 1.32 -5 -4 0 -0.43 1.45 5 -4 0 1.56 1.89 -5 -4 0 1.72 1.34 5 4 0 0.42 0.98 5 4 1 1.05 0.89 -5 -4 -1 1.16 1.03 -5 4 -1 1.69 1.11 5 4 1 1.38 1.06 -5 4 -1 1.92 1.14 5 -4 1 -1.21 1.83 -5 -4 -1 1.93 1.72 -5 -4 -1 -0.65 1.38 5 -4 2 0.94 1.03 5 4 2 1.91 1.01 -5 -4 -2 2.45 1.16 -5 4 -2 1.08 1.22 -5 4 -2 1.48 1.09 5 4 2 1.69 1.15 -5 -4 -2 3.01 1.53 -5 -4 -2 2.20 1.55 5 -4 3 1.09 1.17 5 -4 3 2.24 1.18 5 4 3 3.15 1.06 -5 -4 -3 3.20 1.24 -5 4 -3 1.70 1.23 -5 4 -3 4.00 1.35 -5 -4 -3 3.86 1.60 -5 -4 -3 3.74 1.63 5 4 3 3.71 0.95 5 -4 4 27.58 2.79 5 4 4 29.37 2.42 -5 -4 -4 34.22 2.74 -5 4 -4 31.21 2.96 -5 4 -4 32.35 2.77 -5 -4 -4 29.68 3.07 5 4 4 28.31 2.39 -5 4 -4 27.95 2.45 -5 -4 -4 25.43 2.95 5 -4 4 28.41 2.66 5 -4 5 3.60 1.19 5 -4 5 5.77 1.32 5 4 5 3.56 1.11 -5 -4 -5 5.23 1.23 -5 4 -5 6.34 1.75 -5 4 -5 3.74 1.32 -5 -4 -5 4.80 1.68 -5 -4 -5 2.57 1.56 -5 4 -5 4.64 1.22 5 4 5 4.30 1.04 5 -4 6 20.77 2.23 5 4 6 18.77 2.03 -5 4 -6 26.92 2.77 -5 4 -6 24.38 2.36 -5 -4 -6 24.19 2.68 -5 4 -6 27.40 2.36 5 4 6 22.72 2.08 -5 -4 -6 24.41 2.75 5 -4 6 26.07 2.40 5 4 7 37.98 2.93 -5 4 -7 36.96 3.10 -5 -4 -7 42.81 3.55 -5 4 -7 36.93 3.10 5 -4 7 37.95 3.06 5 4 8 17.19 1.80 -5 4 -8 16.65 2.38 -5 4 -8 14.81 1.95 -5 -4 -8 23.03 2.46 -5 4 -8 18.42 2.01 5 4 9 2.64 1.02 -5 4 -9 3.15 1.48 -5 4 -9 2.12 1.24 -5 -4 -9 3.16 1.26 -5 4 -9 3.81 1.18 -5 4 -10 28.80 2.40 -5 4 -10 29.61 2.88 5 -4 10 26.00 2.09 -5 -4 -10 30.83 2.63 -5 -4 -10 27.95 2.64 -5 4 -10 30.21 2.52 5 4 10 24.59 1.91 -5 -4 -11 17.39 1.86 -5 -4 -11 13.78 1.78 -5 4 -11 14.85 1.74 5 4 11 14.56 1.29 5 4 12 3.11 0.64 5 4 12 2.25 0.77 -5 -4 -12 4.25 0.96 5 -4 12 2.38 0.66 -5 -4 -12 4.66 1.19 -5 4 -12 4.81 1.06 -5 4 -13 16.36 1.67 5 -4 13 10.29 1.01 -5 -4 -13 17.91 1.64 -5 4 -13 16.98 1.55 5 4 13 11.16 0.99 -5 4 -14 35.08 2.40 -5 -4 -14 30.17 2.32 -5 4 -14 30.34 2.24 -5 5 18 4.20 0.58 5 5 -18 4.55 0.67 -5 -5 17 4.09 0.73 -5 5 17 2.96 0.71 -5 5 17 2.77 0.65 5 5 -17 2.12 0.68 -5 -5 16 13.27 1.31 -5 5 16 9.58 1.23 -5 -5 16 11.78 1.06 5 5 -16 13.34 1.38 5 -5 -16 10.35 1.21 5 5 -16 11.06 1.03 5 5 -16 12.98 1.26 -5 -5 15 30.17 2.17 -5 5 15 27.26 2.16 -5 5 15 23.86 2.01 -5 -5 15 26.83 1.95 5 -5 -15 23.08 2.02 5 5 -15 27.07 1.90 5 5 -15 24.96 2.06 5 -5 -14 5.23 1.51 -5 -5 14 3.40 1.08 -5 5 14 1.88 0.88 -5 5 14 3.17 1.08 -5 -5 14 2.72 0.91 5 -5 -14 1.99 0.82 5 5 -14 2.12 0.81 5 5 -14 3.80 1.06 5 -5 -13 91.74 6.05 -5 5 13 96.76 5.62 -5 5 13 87.47 5.39 -5 -5 13 87.69 5.32 5 5 -13 84.32 5.63 5 5 -13 87.27 5.25 5 5 -13 89.77 5.49 5 5 -13 86.88 5.71 5 -5 -12 6.75 1.81 -5 5 12 7.02 1.33 -5 5 12 4.31 1.27 -5 -5 12 6.20 1.23 5 5 -12 3.60 1.31 5 5 -12 5.07 1.14 5 5 -12 6.96 1.44 5 -5 -11 30.13 3.07 -5 5 11 25.42 2.26 -5 5 11 24.19 2.46 -5 -5 11 26.40 2.35 5 -5 -11 28.12 2.65 5 5 -11 25.98 2.33 5 5 -11 23.74 2.60 5 -5 -10 0.23 1.58 -5 -5 10 0.15 1.17 5 5 -10 2.35 1.32 -5 5 10 2.70 1.33 -5 5 10 0.38 0.97 5 -5 -10 0.87 1.19 -5 -5 10 0.14 1.06 5 5 -10 1.74 0.82 5 5 -10 0.98 1.43 5 5 -10 2.65 1.06 5 5 -10 -0.55 1.22 5 -5 -9 86.17 5.75 -5 -5 9 76.26 5.05 5 5 -9 77.35 5.35 -5 5 9 79.26 5.08 -5 5 9 80.88 4.88 -5 -5 9 82.08 5.15 5 5 -9 74.69 4.70 5 5 -9 65.04 5.18 5 5 -9 64.61 4.81 5 -5 -8 29.98 3.01 -5 -5 8 24.83 2.40 -5 5 8 25.03 2.20 5 5 -8 19.79 2.49 -5 5 8 25.49 2.45 -5 -5 8 28.36 2.60 5 5 -8 20.28 2.05 5 5 -8 23.14 2.70 5 5 -8 24.75 2.35 5 -5 -7 113.26 7.59 -5 -5 7 111.49 7.11 -5 5 7 110.37 7.06 5 5 -7 114.57 7.35 -5 5 7 113.75 6.82 -5 -5 7 117.13 7.22 5 5 -7 119.35 6.82 5 5 -7 123.47 7.01 5 -5 -6 130.44 7.92 -5 -5 6 117.48 7.50 -5 5 6 113.18 7.39 5 5 -6 126.30 7.69 -5 5 6 121.14 7.20 5 -5 -6 126.17 8.58 -5 -5 6 123.52 7.66 5 5 -6 128.95 7.21 5 5 -6 119.79 7.21 5 5 -6 128.48 7.36 5 -5 -5 78.59 5.46 5 5 -5 75.92 5.08 -5 -5 5 72.80 5.25 -5 5 5 81.16 5.23 5 5 -5 81.25 5.42 -5 5 5 74.44 4.90 5 -5 -5 77.49 6.20 -5 -5 5 83.32 5.53 5 -5 -5 71.19 6.13 5 5 -5 86.52 5.05 5 5 -5 79.48 5.03 5 -5 -4 83.97 5.35 5 5 -4 81.77 5.04 -5 -5 4 72.68 5.16 -5 5 4 76.71 5.11 5 5 -4 82.38 5.30 -5 5 4 80.28 4.76 5 -5 -4 72.54 5.96 -5 -5 4 71.44 5.31 5 -5 -4 63.33 5.89 5 5 -4 76.31 4.87 5 5 -4 71.39 4.85 -5 -5 3 6.31 1.50 5 5 -3 8.75 1.47 -5 5 3 6.42 1.49 -5 5 3 5.88 1.08 5 5 -3 8.32 1.65 5 -5 -3 5.56 2.12 -5 -5 3 7.08 1.82 5 -5 -3 9.31 2.41 5 5 -3 9.54 1.40 5 5 -2 14.07 1.44 -5 -5 2 13.49 1.91 5 5 -2 12.70 1.72 -5 5 2 13.75 1.93 -5 5 2 13.58 1.40 5 -5 -2 12.44 2.77 5 5 -2 11.80 1.63 5 5 -1 5.23 1.02 -5 -5 1 3.23 1.33 5 5 -1 4.68 1.23 -5 5 1 3.29 1.28 -5 5 1 5.06 0.93 5 -5 -1 4.69 2.20 -5 -5 1 3.23 1.47 5 5 -1 5.35 1.23 5 5 0 11.77 1.42 -5 -5 0 8.62 1.65 -5 5 0 10.63 1.58 5 5 0 11.44 1.61 -5 5 0 10.95 1.74 5 -5 0 10.15 2.56 -5 -5 0 12.41 1.97 5 5 0 9.72 1.55 5 5 1 83.60 5.33 -5 -5 -1 95.54 5.86 5 5 1 88.71 5.62 -5 5 -1 94.67 5.80 -5 5 -1 93.16 5.67 5 -5 1 85.70 6.68 -5 -5 -1 84.26 6.11 -5 -5 -1 88.59 6.15 5 5 1 85.58 5.51 5 -5 2 36.91 3.42 5 5 2 41.18 3.09 -5 -5 -2 45.16 3.50 5 5 2 47.28 3.40 -5 5 -2 49.55 3.64 -5 5 -2 49.00 3.52 5 -5 2 45.77 4.24 -5 -5 -2 49.95 3.95 -5 -5 -2 47.28 3.97 5 5 2 48.19 3.35 5 -5 2 36.17 3.66 5 -5 3 2.26 1.30 5 -5 3 -0.19 1.02 5 5 3 1.37 0.87 -5 -5 -3 -0.16 1.16 -5 5 -3 0.18 1.05 5 5 3 0.86 1.01 -5 5 -3 1.31 1.22 -5 -5 -3 0.82 1.44 -5 -5 -3 0.22 1.49 5 5 3 1.59 1.10 5 -5 4 24.24 2.62 5 -5 4 22.90 2.45 5 5 4 22.68 2.11 -5 -5 -4 31.77 2.62 5 5 4 23.20 2.29 -5 5 -4 27.88 2.53 -5 5 -4 28.37 2.77 -5 -5 -4 26.28 2.84 -5 -5 -4 31.77 3.07 5 5 5 70.38 4.80 -5 -5 -5 86.23 5.19 -5 5 -5 80.92 5.14 -5 5 -5 80.66 5.46 -5 -5 -5 82.48 5.54 -5 -5 -5 86.71 5.63 5 -5 5 70.74 5.29 5 -5 6 0.18 0.89 5 5 6 1.79 0.94 -5 -5 -6 0.41 0.96 -5 5 -6 1.55 1.50 -5 5 -6 0.71 1.22 -5 -5 -6 0.57 1.39 -5 5 -6 -0.13 0.86 5 -5 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44.03 3.46 -5 -6 13 41.47 2.89 -5 6 13 41.83 2.80 -5 -6 13 39.45 2.63 5 6 -13 38.94 2.72 5 6 -13 37.72 2.83 5 -6 -12 14.94 2.15 -5 -6 12 14.62 1.74 -5 6 12 15.42 1.63 -5 -6 12 17.32 1.57 5 6 -12 16.53 1.63 5 6 -12 17.77 1.78 5 -6 -11 16.44 2.27 -5 -6 11 11.99 1.66 -5 6 11 11.42 1.44 -5 -6 11 11.80 1.49 5 6 -11 11.88 1.28 5 6 -11 13.10 1.77 5 6 -11 14.17 1.55 5 6 -11 15.37 1.75 5 -6 -10 244.65 13.47 -5 6 10 243.11 12.56 -5 -6 10 235.82 12.58 5 6 -10 231.22 12.40 5 6 -10 212.18 12.89 5 6 -10 216.64 12.57 -5 6 9 38.77 3.28 -5 6 9 47.45 3.14 -5 -6 9 46.58 3.23 5 6 -9 44.04 3.08 5 6 -9 41.63 3.56 5 6 -9 39.07 3.18 5 6 -9 41.67 3.24 5 -6 -8 15.05 2.29 -5 -6 8 17.81 1.99 -5 6 8 15.04 1.86 -5 6 8 14.68 1.59 -5 -6 8 18.28 1.90 5 6 -8 13.34 1.61 5 6 -8 12.99 2.01 5 6 -8 11.40 1.74 5 -6 -7 222.02 12.69 -5 -6 7 214.60 12.21 -5 6 7 214.69 12.13 5 6 -7 206.25 12.36 -5 6 7 230.84 11.93 -5 -6 7 222.05 12.24 5 -6 -7 210.47 13.33 5 6 -7 207.24 11.89 5 6 -7 224.99 12.12 5 -6 -6 11.92 2.05 -5 -6 6 8.61 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1.39 -6 -1 -2 6.79 1.32 -6 -1 -2 8.99 1.43 -6 1 -3 45.81 3.47 -6 -1 -3 48.45 3.35 -6 -1 -3 50.63 3.57 -6 1 -4 56.11 3.96 -6 -1 -4 57.43 3.94 -6 1 -4 55.26 3.74 -6 1 -5 1.75 1.05 -6 -1 -5 0.56 0.93 -6 1 -5 0.84 0.82 -6 1 -6 6.40 1.34 -6 -1 -6 5.57 1.25 -6 1 -6 8.55 1.27 -6 -1 -7 17.47 1.88 -6 1 -7 18.37 1.83 -6 1 -8 -0.55 0.98 -6 -1 -8 0.12 0.86 -6 1 -8 -0.11 0.76 -6 1 -9 0.50 0.90 -6 -1 -9 0.46 0.87 -6 1 -9 0.71 0.72 -6 1 -10 18.67 1.77 -6 1 -10 17.31 1.55 -6 -1 -10 15.38 1.58 -6 -1 -11 33.74 2.38 -6 -2 15 12.66 1.12 -6 2 15 11.44 1.01 6 2 -15 14.04 1.40 -6 -2 15 13.50 1.23 -6 -2 14 1.91 0.69 -6 2 14 0.96 0.57 6 2 -14 0.26 0.65 -6 -2 13 28.72 2.08 -6 2 13 28.37 2.01 6 2 -13 29.82 2.34 6 -2 -12 5.80 1.39 -6 -2 12 2.70 0.86 -6 2 12 1.70 0.65 6 2 -12 2.49 1.09 -6 -2 12 3.26 1.08 6 2 -12 2.07 0.83 -6 -2 11 30.63 2.21 -6 2 11 25.41 1.98 -6 2 11 28.42 2.07 -6 2 11 29.55 2.18 -6 -2 11 28.14 2.34 6 2 -11 32.98 2.45 -6 -2 10 47.21 3.26 -6 2 10 43.71 3.07 -6 2 10 50.04 3.13 -6 2 10 46.59 3.20 -6 -2 10 58.71 3.57 6 -2 -10 51.69 3.59 6 2 -10 53.33 3.59 6 2 -10 54.58 4.26 -6 -2 9 22.12 1.94 -6 2 9 21.00 1.79 -6 2 9 20.79 1.73 -6 2 9 24.34 1.96 -6 -2 9 24.50 2.20 6 -2 -9 23.46 2.14 6 2 -9 24.45 2.70 6 2 -9 25.72 2.33 6 2 -9 27.42 2.98 -6 -2 8 25.00 2.04 -6 2 8 21.73 1.85 -6 2 8 22.62 1.93 -6 -2 8 21.58 2.14 6 2 -8 28.59 2.90 -6 -2 7 38.20 2.73 -6 2 7 33.92 2.60 -6 2 7 38.45 2.69 -6 -2 7 37.78 2.94 6 2 -7 43.37 3.71 -6 -2 6 6.51 1.16 -6 2 6 8.08 1.15 -6 -2 6 9.85 1.51 6 2 -6 8.53 1.98 -6 -2 5 7.30 1.17 -6 2 5 8.56 1.18 -6 -2 5 10.93 1.50 -6 2 4 87.93 5.41 -6 -2 4 98.37 5.85 -6 2 3 10.53 1.38 -6 -2 3 10.95 1.66 -6 2 2 199.42 11.03 -6 -2 2 207.40 11.43 -6 2 1 85.57 5.22 -6 -2 1 96.36 5.66 -6 -2 1 82.37 5.45 -6 2 0 3.68 1.01 -6 -2 0 3.77 1.15 -6 -2 0 1.63 1.04 -6 -2 -1 5.39 1.24 -6 -2 -1 3.32 1.10 6 2 1 2.93 0.86 -6 2 -2 66.93 4.62 -6 -2 -2 74.48 4.92 6 2 2 70.40 4.39 -6 2 -3 160.19 9.21 -6 -2 -3 166.93 9.39 6 2 3 145.35 8.83 6 2 4 85.38 5.22 -6 2 -4 94.44 5.72 -6 -2 -4 96.61 5.61 -6 -2 -4 95.92 5.82 6 2 5 76.55 4.74 -6 2 -5 76.31 5.16 -6 -2 -5 87.50 5.01 -6 -2 -5 89.64 5.32 6 2 6 140.42 8.25 -6 2 -6 162.20 8.81 -6 -2 -6 156.52 8.77 -6 2 -6 156.15 8.48 -6 2 -7 0.54 0.98 -6 -2 -7 0.52 0.89 -6 2 -7 1.29 0.73 -6 2 -8 69.88 4.54 -6 2 -8 62.27 4.19 -6 2 -9 2.69 0.96 -6 -2 -9 2.56 0.91 -6 2 -9 3.17 0.79 -6 2 -10 59.13 4.00 -6 -2 -10 70.05 4.08 -6 2 -11 24.79 1.88 -6 -3 15 13.28 1.12 -6 -3 15 14.82 1.21 -6 -3 14 25.72 1.85 -6 3 14 26.80 1.77 -6 -3 14 30.04 1.96 6 3 -14 23.94 1.95 -6 -3 13 6.31 0.94 -6 3 13 4.23 0.69 -6 3 13 4.81 0.75 6 3 -13 5.69 1.01 -6 -3 13 5.59 0.96 -6 -3 12 103.01 5.59 -6 3 12 90.41 5.41 -6 3 12 96.59 5.45 -6 -3 12 96.95 5.64 6 3 -12 99.19 5.65 6 -3 -11 0.29 0.98 -6 -3 11 1.41 0.80 -6 3 11 -0.08 0.63 -6 3 11 1.39 0.67 6 3 -11 0.87 0.87 6 -3 -10 88.29 5.58 -6 -3 10 88.67 5.20 -6 3 10 84.48 5.10 -6 3 10 85.22 5.02 6 3 -10 95.68 5.49 6 -3 -9 -0.28 1.05 -6 -3 9 0.30 0.78 -6 3 9 0.55 0.76 -6 3 9 -0.07 0.63 -6 -3 9 0.71 1.06 6 3 -9 0.40 1.03 6 -3 -8 1.10 1.00 -6 -3 8 0.51 0.81 -6 3 8 1.66 0.87 -6 3 8 0.86 0.64 -6 -3 8 0.25 1.04 6 3 -8 0.77 1.33 6 -3 -7 1.96 1.04 -6 -3 7 3.38 1.01 -6 3 7 3.14 0.94 -6 -3 7 1.57 1.04 6 3 -7 3.42 0.98 6 3 -7 1.58 1.44 -6 -3 6 24.18 2.08 -6 3 6 24.05 2.06 -6 -3 6 27.44 2.44 6 3 -6 24.16 2.74 -6 -3 5 309.98 16.65 -6 3 5 304.53 16.63 -6 -3 5 338.84 17.00 6 3 -5 300.44 17.27 -6 -3 4 2.87 0.90 -6 3 4 2.34 0.97 -6 -3 4 1.56 1.21 6 3 -4 5.58 1.04 -6 -3 3 78.24 4.94 -6 3 3 85.42 5.03 -6 -3 3 92.01 5.41 6 3 -3 77.69 4.89 -6 3 2 56.54 3.72 -6 -3 2 60.37 4.08 6 3 -2 54.76 3.60 -6 3 1 -0.43 0.86 -6 -3 1 0.87 1.01 -6 3 0 99.64 5.63 -6 -3 0 105.69 5.97 -6 -3 0 91.45 5.88 6 3 0 84.52 5.37 -6 3 -1 22.43 1.93 -6 -3 -1 24.54 2.20 -6 -3 -1 16.87 2.09 6 3 1 19.76 1.75 -6 3 -2 161.28 9.51 -6 3 -2 176.24 9.52 -6 -3 -2 180.48 9.92 6 3 2 155.81 9.32 -6 3 -3 34.45 2.56 -6 3 -3 32.56 2.39 -6 -3 -3 32.81 2.61 -6 -3 -3 28.91 2.58 6 3 3 26.73 2.18 6 3 4 0.37 0.59 -6 3 -4 0.12 0.85 -6 3 -4 1.34 0.91 -6 -3 -4 2.36 0.96 -6 -3 -4 1.01 1.07 6 3 5 11.77 1.24 -6 3 -5 16.88 1.73 -6 3 -5 14.99 1.46 -6 -3 -5 14.16 1.57 -6 -3 -5 12.33 1.64 -6 3 -6 1.00 0.98 -6 3 -6 1.79 0.76 -6 -3 -6 1.65 0.78 -6 -3 -6 1.18 0.95 -6 3 -7 3.88 1.08 -6 -3 -7 2.22 0.99 -6 3 -8 63.57 4.21 -6 -3 -8 69.36 4.27 -6 3 -9 60.15 3.92 -6 -3 -9 65.42 4.00 -6 3 -10 -0.50 0.60 -6 -3 -10 0.35 0.56 -6 -4 14 15.76 1.20 -6 -4 14 14.93 1.18 6 4 -14 12.36 1.19 -6 -4 13 9.72 1.04 -6 4 13 10.63 0.91 -6 4 13 8.65 0.87 6 4 -13 6.51 1.01 -6 -4 13 10.02 1.04 -6 -4 12 8.19 1.01 -6 4 12 7.04 0.90 -6 4 12 7.02 0.83 -6 -4 12 7.28 1.08 -6 -4 11 24.34 1.89 -6 4 11 23.59 1.84 -6 4 11 23.08 1.74 -6 -4 11 26.47 2.00 6 4 -11 26.20 2.03 -6 -4 10 24.49 1.93 -6 4 10 19.96 1.79 -6 4 10 24.88 1.74 -6 -4 10 25.67 2.04 6 4 -10 22.42 2.02 -6 -4 9 31.23 2.30 -6 4 9 29.27 2.22 -6 4 9 29.54 2.05 -6 -4 9 29.28 2.40 6 4 -9 30.31 2.15 6 4 -9 29.47 2.43 -6 -4 8 65.61 3.87 -6 4 8 62.66 3.81 -6 4 8 56.82 3.53 6 4 -8 57.24 3.72 -6 -4 7 44.38 3.09 -6 4 7 52.18 3.14 6 4 -7 43.35 3.53 6 4 -7 44.17 3.03 6 4 -7 41.65 3.04 -6 -4 6 5.76 1.09 -6 4 6 6.52 1.06 -6 -4 6 3.72 1.32 6 4 -6 7.02 1.51 6 4 -6 4.20 1.02 -6 -4 5 31.36 2.37 -6 4 5 27.72 2.28 -6 -4 5 30.90 2.60 6 4 -5 29.37 2.78 6 4 -5 30.04 2.31 -6 -4 4 4.13 1.00 -6 4 4 2.82 0.97 -6 -4 4 1.62 1.16 6 4 -4 3.65 1.01 -6 -4 3 1.73 0.85 -6 4 3 0.94 0.83 -6 -4 3 0.82 0.98 6 4 -3 1.03 0.76 -6 -4 2 101.39 5.92 -6 4 2 106.13 6.03 -6 -4 2 103.97 6.24 6 4 -2 97.27 5.83 -6 -4 1 183.25 10.11 -6 4 1 188.24 10.26 -6 -4 1 204.12 10.57 6 4 -1 175.52 10.04 -6 4 0 46.63 3.44 -6 -4 0 61.48 3.85 -6 4 -1 47.27 3.30 -6 -4 -1 51.14 3.56 -6 4 -2 169.39 9.48 -6 -4 -2 175.99 9.77 -6 4 -3 0.20 0.71 -6 4 -3 0.49 0.82 -6 -4 -3 0.12 0.90 -6 -4 -3 -0.42 0.94 -6 4 -4 68.93 4.22 -6 4 -4 63.87 4.25 -6 -4 -4 66.36 4.33 -6 -4 -4 74.59 4.56 -6 4 -5 19.55 1.76 -6 4 -5 20.55 1.85 -6 -4 -5 22.32 1.93 -6 -4 -5 20.88 1.99 -6 4 -6 82.02 4.68 -6 4 -6 73.06 4.82 -6 -4 -6 85.14 4.83 -6 -4 -6 79.36 4.97 -6 4 -7 -0.10 0.70 -6 -4 -7 0.23 0.54 -6 -4 -7 0.89 0.80 -6 4 -8 53.12 3.55 -6 -4 -8 62.55 3.74 -6 -4 -9 1.14 0.62 -6 -5 12 5.25 0.75 -6 5 12 3.89 0.66 -6 -5 12 5.86 0.78 -6 -5 11 119.54 6.06 -6 5 11 111.34 5.85 -6 -5 11 109.75 6.00 -6 -5 10 3.32 0.82 -6 5 10 4.04 0.83 -6 5 10 3.86 0.64 -6 -5 10 4.54 0.89 6 5 -10 2.62 0.63 6 5 -10 2.44 0.79 -6 -5 9 22.12 1.88 -6 5 9 23.48 1.87 -6 5 9 25.01 1.69 -6 -5 9 26.78 2.00 6 5 -9 25.45 1.82 6 5 -9 20.62 1.92 -6 -5 8 97.89 5.40 -6 5 8 89.48 5.33 -6 5 8 89.22 5.11 -6 -5 8 98.77 5.52 6 5 -8 90.02 5.29 -6 -5 7 4.57 0.98 -6 5 7 5.18 1.01 -6 -5 7 5.92 1.13 6 5 -7 4.33 0.95 -6 -5 6 102.62 5.89 -6 5 6 100.51 5.87 -6 -5 6 100.91 6.02 -6 -5 5 7.08 1.12 -6 5 5 5.83 1.10 6 5 -5 4.88 0.97 -6 -5 4 99.21 5.87 -6 5 4 100.54 5.90 6 5 -4 104.76 5.88 -6 -5 3 36.49 2.54 -6 5 3 35.71 2.55 6 5 -3 32.76 2.44 -6 -5 2 1.36 0.82 -6 5 2 1.17 0.89 -6 -5 2 1.85 0.98 6 5 -2 2.71 0.84 -6 -5 1 21.44 1.78 -6 5 1 22.78 1.89 -6 -5 1 20.86 1.99 6 5 -1 19.52 1.70 -6 -5 0 9.00 1.19 -6 5 0 13.13 1.42 -6 -5 0 14.22 1.57 6 5 0 11.47 1.24 -6 5 -1 12.26 1.41 -6 -5 -1 8.18 1.33 -6 5 -2 0.18 0.80 -6 -5 -2 1.47 0.92 -6 5 -3 0.44 0.79 -6 -5 -3 2.58 0.92 -6 5 -4 30.92 2.23 -6 -5 -4 29.99 2.32 -6 5 -5 221.25 11.68 -6 5 -5 190.67 11.61 -6 5 -6 65.51 3.70 -6 -5 -6 69.73 3.83 -6 -6 10 2.15 0.58 -6 6 10 1.28 0.53 -6 -6 9 68.91 3.84 -6 6 9 58.75 3.77 -6 -6 9 72.41 3.84 6 6 -9 62.10 3.69 -6 -6 8 1.36 0.69 -6 6 8 -0.07 0.62 -6 -6 8 0.57 0.58 6 6 -8 0.87 0.58 -6 -6 7 12.27 1.28 -6 6 7 12.48 1.32 -6 -6 7 16.92 1.42 6 6 -7 14.56 1.31 -6 -6 6 3.90 0.80 -6 6 6 4.92 0.92 -6 -6 6 4.89 0.95 6 6 -6 5.08 0.90 -6 -6 5 41.31 2.61 -6 6 5 34.76 2.52 -6 -6 5 41.70 2.73 6 6 -5 35.44 2.53 -6 -6 4 36.90 2.54 -6 6 4 36.40 2.58 -6 -6 4 40.34 2.72 -6 -6 3 13.92 1.38 -6 6 3 15.29 1.46 -6 -6 3 15.80 1.60 -6 -6 2 1.60 0.71 -6 6 2 2.04 0.77 6 6 -2 0.98 0.52 -6 -6 1 3.97 0.76 -6 6 1 3.64 0.88 6 6 -1 1.97 0.56 -6 -6 0 25.32 1.80 -6 6 0 25.40 1.95 6 6 0 23.91 1.67 -6 -6 -1 0.18 0.51 -6 6 -1 0.57 0.69 -6 -6 -1 0.85 0.79 -6 6 -2 2.74 0.81 -6 -6 -2 2.15 0.78 -6 6 -3 46.99 3.06 -6 -6 -3 50.79 3.15 -6 6 -4 6.57 0.93 -6 -6 -4 7.33 0.95 -6 6 -5 69.48 4.16 -6 -6 -5 78.25 4.28 -6 7 7 104.91 5.74 -6 -7 6 0.89 0.52 -6 7 6 0.83 0.55 6 7 -6 1.27 0.51 -6 -7 5 8.10 0.88 -6 -7 5 10.35 0.95 6 7 -5 8.55 0.91 -6 -7 4 37.16 2.34 -6 7 4 39.31 2.42 -6 -7 4 40.11 2.42 6 7 -4 32.76 2.31 -6 -7 3 47.51 2.84 -6 7 3 48.94 2.92 -6 -7 3 50.67 2.94 6 7 -3 42.00 2.82 -6 -7 2 95.12 5.21 -6 7 2 86.74 5.27 -6 -7 2 102.56 5.35 -6 7 1 1.18 0.60 -6 -7 1 1.02 0.58 -6 7 0 17.32 1.43 -6 -7 0 18.70 1.47 -6 7 -1 24.10 1.77 -6 -7 -1 27.10 1.82 0 0 0 0.00 0.00 TITL 20231215_C73-1 in P2(1)/n REM P2(1)/n (#14 in standard setting) CELL 1.54184 5.736073 10.909275 20.880010 90.0000 96.7304 90.0000 ZERR 6.00 0.000047 0.000070 0.000137 0.0000 0.0006 0.0000 LATT 1 SYMM -x+1/2, y+1/2,-z+1/2 SFAC C H N O UNIT 66.00 60.00 6.00 6.00 TREF HKLF 4 END _computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)' ; _shelx_hkl_checksum 94245 _olex2_submission_special_instructions 'No special instructions were received' _oxdiff_exptl_absorpt_empirical_details ; Empirical correction (ABSPACK) includes: - Absorption correction using spherical harmonics - Frame scaling ; _oxdiff_exptl_absorpt_empirical_full_max 2.173 _oxdiff_exptl_absorpt_empirical_full_min 0.613