#============================================================================== data_global loop_ _journal_name_full 'European Journal of Chemistry' _journal_coden_ASTM EJCUA9 _journal_volume 12 _journal_issue 2 _journal_year 2021 _journal_page_first 109 _journal_page_last 116 #============================================================================== data_gvsu919h _audit_creation_date 2019-11-12 _audit_creation_method ; Olex2 1.2 (compiled May 18 2018 14:05:52 for OlexSys, GUI svn.r5506) ; _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. (2008). Acta Cryst. A64, 112-122. Sheldrick, G.M. (2015). Acta Cryst. C71, 3-8. ; _chemical_name_common ? _chemical_name_systematic ? _chemical_formula_moiety 'C12 H17 N O2 S' _chemical_formula_sum 'C12 H17 N O2 S' _chemical_formula_weight 239.32 _chemical_absolute_configuration ad _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' '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 'orthorhombic' _space_group_IT_number 19 _space_group_name_H-M_alt 'P 21 21 21' _space_group_name_Hall 'P 2ac 2ab' loop_ _space_group_symop_operation_xyz 'x, y, z' '-x+1/2, -y, z+1/2' 'x+1/2, -y+1/2, -z' '-x, y+1/2, -z+1/2' _cell_length_a 6.15583(9) _cell_length_b 12.13534(18) _cell_length_c 16.3142(2) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1218.72(3) _cell_formula_units_Z 4 _cell_measurement_reflns_used 9005 _cell_measurement_temperature 173(2) _cell_measurement_theta_max 72.128 _cell_measurement_theta_min 3.643 _shelx_estimated_absorpt_T_max 0.620 _shelx_estimated_absorpt_T_min 0.564 _exptl_absorpt_coefficient_mu 2.245 _exptl_absorpt_correction_T_max 0.7536 _exptl_absorpt_correction_T_min 0.6950 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; SADABS-2016/2 (Bruker,2016) was used for absorption correction. wR2(int) was 0.0499 before and 0.0434 after correction. The Ratio of minimum to maximum transmission is 0.9222. The \l/2 correction factor is Not present. ; _exptl_absorpt_special_details ? _exptl_crystal_colour 'colourless' _exptl_crystal_density_diffrn 1.304 _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_description 'block' _exptl_crystal_F_000 512 _exptl_crystal_size_max 0.288 _exptl_crystal_size_mid 0.247 _exptl_crystal_size_min 0.235 _exptl_transmission_factor_max ? _exptl_transmission_factor_min ? _diffrn_reflns_av_R_equivalents 0.0270 _diffrn_reflns_av_unetI/netI 0.0207 _diffrn_reflns_Laue_measured_fraction_full 0.999 _diffrn_reflns_Laue_measured_fraction_max 0.999 _diffrn_reflns_limit_h_max 7 _diffrn_reflns_limit_h_min -7 _diffrn_reflns_limit_k_max 13 _diffrn_reflns_limit_k_min -14 _diffrn_reflns_limit_l_max 20 _diffrn_reflns_limit_l_min -20 _diffrn_reflns_number 11732 _diffrn_reflns_point_group_measured_fraction_full 1.000 _diffrn_reflns_point_group_measured_fraction_max 0.999 _diffrn_reflns_theta_full 67.679 _diffrn_reflns_theta_max 72.138 _diffrn_reflns_theta_min 4.541 _diffrn_ambient_temperature 172.99 _diffrn_detector_area_resol_mean ? _diffrn_measured_fraction_theta_full 0.999 _diffrn_measured_fraction_theta_max 0.999 _diffrn_measurement_device_type 'Bruker APEX-II CCD' _diffrn_measurement_method '\f and \w scans' _diffrn_radiation_type CuK\a _diffrn_radiation_wavelength 1.54178 _diffrn_source ? _diffrn_standards_number 0 _reflns_Friedel_coverage 0.700 _reflns_Friedel_fraction_full 1.000 _reflns_Friedel_fraction_max 0.999 _reflns_number_gt 2355 _reflns_number_total 2411 _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 'SAINT V8.38A (?, 2016)' _computing_data_collection ? _computing_data_reduction 'SAINT V8.38A (?, 2016)' _computing_molecular_graphics 'Olex2 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 (Dolomanov et al., 2009)' _computing_structure_refinement 'ShelXL (Sheldrick, 2015)' _computing_structure_solution 'ShelXS (Sheldrick, 2008)' _refine_diff_density_max 0.168 _refine_diff_density_min -0.465 _refine_diff_density_rms 0.066 _refine_ls_abs_structure_details ; Flack x determined using 966 quotients [(I+)-(I-)]/[(I+)+(I-)] (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259). ; _refine_ls_abs_structure_Flack 0.007(8) _refine_ls_extinction_coef . _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.093 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 146 _refine_ls_number_reflns 2411 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0359 _refine_ls_R_factor_gt 0.0352 _refine_ls_restrained_S_all 1.093 _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^)+(0.0703P)^2^+0.0693P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0924 _refine_ls_wR_factor_ref 0.0931 _refine_special_details ? _olex2_refinement_description ; 1. Fixed Uiso At 1.2 times of: All C(H) groups, All C(H,H) groups At 1.5 times of: All C(H,H,H) groups 2.a Secondary CH2 refined with riding coordinates: C8(H8A,H8B), C9(H9A,H9B), C10(H10A,H10B), C11(H11A,H11B), C12(H12A,H12B) 2.b Aromatic/amide H refined with riding coordinates: C2(H2), C3(H3), C5(H5), C6(H6) 2.c Idealised Me refined as rotating group: C7(H7A,H7B,H7C) ; _atom_sites_solution_hydrogens geom _atom_sites_solution_primary direct _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 0.87679(7) 0.49624(4) 0.64641(3) 0.02886(18) Uani 1 1 d . . . . . O1 O 1.1061(3) 0.49347(16) 0.63191(13) 0.0467(5) Uani 1 1 d . . . . . O2 O 0.7903(3) 0.44407(14) 0.71772(10) 0.0411(4) Uani 1 1 d . . . . . N1 N 0.8079(3) 0.62633(14) 0.65184(11) 0.0275(4) Uani 1 1 d . . . . . C1 C 0.7438(3) 0.44140(17) 0.55964(12) 0.0269(4) Uani 1 1 d . . . . . C2 C 0.5386(4) 0.39540(17) 0.56822(14) 0.0294(4) Uani 1 1 d . . . . . H2 H 0.474839 0.388060 0.620968 0.035 Uiso 1 1 calc R . . . . C3 C 0.4275(3) 0.36022(19) 0.49898(14) 0.0306(4) Uani 1 1 d . . . . . H3 H 0.288510 0.327187 0.504888 0.037 Uiso 1 1 calc R . . . . C4 C 0.5161(4) 0.37246(17) 0.42114(13) 0.0293(4) Uani 1 1 d . . . . . C5 C 0.7237(4) 0.41831(18) 0.41391(14) 0.0322(5) Uani 1 1 d . . . . . H5 H 0.787197 0.426287 0.361160 0.039 Uiso 1 1 calc R . . . . C6 C 0.8381(4) 0.45222(17) 0.48247(14) 0.0301(4) Uani 1 1 d . . . . . H6 H 0.979620 0.482572 0.476935 0.036 Uiso 1 1 calc R . . . . C7 C 0.3905(5) 0.3375(2) 0.34610(15) 0.0414(6) Uani 1 1 d . . . . . H7A H 0.440870 0.264728 0.328201 0.062 Uiso 1 1 calc GR . . . . H7B H 0.413791 0.391082 0.302044 0.062 Uiso 1 1 calc GR . . . . H7C H 0.235386 0.333849 0.359301 0.062 Uiso 1 1 calc GR . . . . C8 C 0.5788(4) 0.6487(2) 0.67157(16) 0.0385(5) Uani 1 1 d . . . . . H8A H 0.525394 0.594559 0.712222 0.046 Uiso 1 1 calc R . . . . H8B H 0.488706 0.642376 0.621516 0.046 Uiso 1 1 calc R . . . . C9 C 0.5618(6) 0.7647(2) 0.7064(2) 0.0547(8) Uani 1 1 d . . . . . H9A H 0.407943 0.781812 0.718475 0.066 Uiso 1 1 calc R . . . . H9B H 0.644720 0.769127 0.758253 0.066 Uiso 1 1 calc R . . . . C10 C 0.6506(6) 0.8480(2) 0.6458(2) 0.0618(9) Uani 1 1 d . . . . . H10A H 0.647457 0.922399 0.670760 0.074 Uiso 1 1 calc R . . . . H10B H 0.557774 0.849280 0.596289 0.074 Uiso 1 1 calc R . . . . C11 C 0.8827(6) 0.8193(2) 0.6216(2) 0.0575(8) Uani 1 1 d . . . . . H11A H 0.979161 0.827813 0.669796 0.069 Uiso 1 1 calc R . . . . H11B H 0.933066 0.870748 0.578557 0.069 Uiso 1 1 calc R . . . . C12 C 0.8969(5) 0.70084(19) 0.58978(16) 0.0407(6) Uani 1 1 d . . . . . H12A H 0.813443 0.693771 0.538178 0.049 Uiso 1 1 calc R . . . . H12B H 1.050192 0.681521 0.578373 0.049 Uiso 1 1 calc R . . . . 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 0.0298(3) 0.0269(3) 0.0299(3) -0.0020(2) -0.00338(17) 0.00494(19) O1 0.0294(8) 0.0533(11) 0.0573(11) -0.0164(9) -0.0083(7) 0.0100(8) O2 0.0612(11) 0.0332(8) 0.0288(7) 0.0042(7) -0.0080(8) -0.0012(8) N1 0.0288(8) 0.0253(8) 0.0284(8) -0.0012(7) 0.0006(7) -0.0003(7) C1 0.0302(10) 0.0225(9) 0.0280(9) -0.0004(7) 0.0000(8) 0.0022(7) C2 0.0312(10) 0.0306(10) 0.0264(10) 0.0014(8) 0.0063(8) 0.0020(8) C3 0.0292(9) 0.0291(10) 0.0334(11) 0.0007(8) 0.0023(8) -0.0024(8) C4 0.0357(10) 0.0219(9) 0.0303(11) -0.0006(8) 0.0013(9) 0.0018(8) C5 0.0415(11) 0.0279(10) 0.0271(9) 0.0009(8) 0.0083(9) -0.0027(9) C6 0.0309(10) 0.0257(9) 0.0337(10) 0.0013(8) 0.0054(8) -0.0006(8) C7 0.0521(14) 0.0401(13) 0.0319(11) -0.0023(10) -0.0025(12) -0.0086(10) C8 0.0334(11) 0.0393(12) 0.0428(13) -0.0024(10) 0.0052(9) 0.0082(9) C9 0.0651(19) 0.0452(15) 0.0537(16) -0.0100(13) 0.0046(14) 0.0246(14) C10 0.099(3) 0.0296(12) 0.0568(17) -0.0049(11) -0.0188(19) 0.0206(14) C11 0.093(2) 0.0300(12) 0.0492(15) 0.0029(11) -0.0063(17) -0.0166(15) C12 0.0533(15) 0.0334(12) 0.0354(11) -0.0004(9) 0.0045(11) -0.0101(10) _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 O1 1.4315(17) . ? S1 O2 1.4275(18) . ? S1 N1 1.6370(18) . ? S1 C1 1.766(2) . ? N1 C8 1.472(3) . ? N1 C12 1.464(3) . ? C1 C2 1.388(3) . ? C1 C6 1.393(3) . ? C2 C3 1.388(3) . ? C3 C4 1.390(3) . ? C4 C5 1.399(3) . ? C4 C7 1.509(3) . ? C5 C6 1.384(3) . ? C8 C9 1.520(4) . ? C9 C10 1.516(5) . ? C10 C11 1.523(5) . ? C11 C12 1.531(3) . ? 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 O1 S1 N1 106.67(11) . . ? O1 S1 C1 108.42(11) . . ? O2 S1 O1 119.47(12) . . ? O2 S1 N1 106.68(10) . . ? O2 S1 C1 108.26(10) . . ? N1 S1 C1 106.66(10) . . ? C8 N1 S1 115.98(15) . . ? C12 N1 S1 117.48(16) . . ? C12 N1 C8 113.31(19) . . ? C2 C1 S1 119.52(16) . . ? C2 C1 C6 120.6(2) . . ? C6 C1 S1 119.72(16) . . ? C3 C2 C1 119.3(2) . . ? C2 C3 C4 121.2(2) . . ? C3 C4 C5 118.5(2) . . ? C3 C4 C7 120.7(2) . . ? C5 C4 C7 120.8(2) . . ? C6 C5 C4 121.0(2) . . ? C5 C6 C1 119.4(2) . . ? N1 C8 C9 108.5(2) . . ? C10 C9 C8 110.5(2) . . ? C9 C10 C11 110.7(2) . . ? C10 C11 C12 110.9(3) . . ? N1 C12 C11 108.9(2) . . ? _shelx_res_file ; TITL GVSU919H in P212121 #19 gvsu919h.res created by SHELXL-2018/3 at 15:17:37 on 12-Nov-2019 REM reset to P212121 #19 CELL 1.54178 6.15583 12.13534 16.31416 90 90 90 ZERR 4 0.00009 0.00018 0.00023 0 0 0 LATT -1 SYMM 0.5-X,-Y,0.5+Z SYMM 0.5+X,0.5-Y,-Z SYMM -X,0.5+Y,0.5-Z SFAC C H N O S UNIT 48 68 4 8 4 L.S. 12 PLAN 10 SIZE 0.235 0.247 0.288 TEMP -100.16 BOND fmap 2 ACTA REM REM REM WGHT 0.070300 0.069300 FVAR 0.30951 S1 5 0.876785 0.496241 0.646411 11.00000 0.02977 0.02694 = 0.02986 -0.00196 -0.00338 0.00494 O1 4 1.106074 0.493467 0.631910 11.00000 0.02944 0.05325 = 0.05730 -0.01642 -0.00829 0.00999 O2 4 0.790306 0.444069 0.717723 11.00000 0.06123 0.03316 = 0.02884 0.00424 -0.00801 -0.00119 N1 3 0.807923 0.626334 0.651837 11.00000 0.02883 0.02527 = 0.02842 -0.00124 0.00056 -0.00033 C1 1 0.743751 0.441396 0.559636 11.00000 0.03015 0.02246 = 0.02801 -0.00039 -0.00002 0.00215 C2 1 0.538597 0.395395 0.568219 11.00000 0.03118 0.03064 = 0.02636 0.00139 0.00628 0.00198 AFIX 43 H2 2 0.474839 0.388060 0.620968 11.00000 -1.20000 AFIX 0 C3 1 0.427540 0.360224 0.498979 11.00000 0.02918 0.02915 = 0.03340 0.00075 0.00233 -0.00236 AFIX 43 H3 2 0.288510 0.327187 0.504888 11.00000 -1.20000 AFIX 0 C4 1 0.516059 0.372464 0.421144 11.00000 0.03574 0.02194 = 0.03034 -0.00060 0.00132 0.00179 C5 1 0.723749 0.418312 0.413910 11.00000 0.04155 0.02790 = 0.02713 0.00088 0.00828 -0.00266 AFIX 43 H5 2 0.787197 0.426287 0.361160 11.00000 -1.20000 AFIX 0 C6 1 0.838126 0.452217 0.482466 11.00000 0.03094 0.02570 = 0.03370 0.00127 0.00538 -0.00064 AFIX 43 H6 2 0.979620 0.482572 0.476935 11.00000 -1.20000 AFIX 0 C7 1 0.390527 0.337464 0.346097 11.00000 0.05210 0.04006 = 0.03193 -0.00232 -0.00253 -0.00863 AFIX 137 H7A 2 0.440870 0.264728 0.328201 11.00000 -1.50000 H7B 2 0.413791 0.391082 0.302044 11.00000 -1.50000 H7C 2 0.235386 0.333849 0.359301 11.00000 -1.50000 AFIX 0 C8 1 0.578757 0.648742 0.671570 11.00000 0.03335 0.03929 = 0.04276 -0.00243 0.00520 0.00821 AFIX 23 H8A 2 0.525394 0.594559 0.712222 11.00000 -1.20000 H8B 2 0.488706 0.642376 0.621516 11.00000 -1.20000 AFIX 0 C9 1 0.561850 0.764650 0.706353 11.00000 0.06514 0.04524 = 0.05371 -0.01002 0.00459 0.02465 AFIX 23 H9A 2 0.407943 0.781812 0.718475 11.00000 -1.20000 H9B 2 0.644720 0.769127 0.758253 11.00000 -1.20000 AFIX 0 C10 1 0.650629 0.848041 0.645827 11.00000 0.09891 0.02956 = 0.05680 -0.00492 -0.01877 0.02064 AFIX 23 H10A 2 0.647457 0.922399 0.670760 11.00000 -1.20000 H10B 2 0.557774 0.849280 0.596289 11.00000 -1.20000 AFIX 0 C11 1 0.882721 0.819297 0.621648 11.00000 0.09328 0.03000 = 0.04918 0.00292 -0.00631 -0.01662 AFIX 23 H11A 2 0.979161 0.827813 0.669796 11.00000 -1.20000 H11B 2 0.933066 0.870748 0.578557 11.00000 -1.20000 AFIX 0 C12 1 0.896897 0.700838 0.589785 11.00000 0.05328 0.03335 = 0.03539 -0.00036 0.00449 -0.01011 AFIX 23 H12A 2 0.813443 0.693771 0.538178 11.00000 -1.20000 H12B 2 1.050192 0.681521 0.578373 11.00000 -1.20000 AFIX 0 HKLF 4 REM GVSU919H in P212121 #19 REM wR2 = 0.0931, GooF = S = 1.093, Restrained GooF = 1.093 for all data REM R1 = 0.0352 for 2355 Fo > 4sig(Fo) and 0.0359 for all 2411 data REM 146 parameters refined using 0 restraints END WGHT 0.0703 0.0693 REM Highest difference peak 0.168, deepest hole -0.465, 1-sigma level 0.066 Q1 1 1.1478 0.5580 0.5965 11.00000 0.05 0.17 Q2 1 0.7189 0.9722 0.7573 11.00000 0.05 0.17 Q3 1 1.2628 0.6228 0.5439 11.00000 0.05 0.16 Q4 1 0.4947 0.3414 0.4603 11.00000 0.05 0.16 Q5 1 0.8251 0.5682 0.6434 11.00000 0.05 0.15 Q6 1 0.5659 0.6994 0.6920 11.00000 0.05 0.15 Q7 1 0.2533 0.3356 0.6267 11.00000 0.05 0.15 Q8 1 0.4897 0.3391 0.2851 11.00000 0.05 0.15 Q9 1 0.4891 0.3603 0.5352 11.00000 0.05 0.15 Q10 1 0.5089 0.8639 0.5196 11.00000 0.05 0.14 ; _shelx_res_checksum 90962 _shelx_hkl_file ; -1 0 0 0.09 0.03 -2 0 0 4.08 0.22 2 0 0 4.66 0.23 3 0 0 0.02 0.08 -3 0 0 0.09 0.09 4 0 0 104.23 2.88 -4 0 0 100.22 2.84 5 0 0 -0.06 0.18 5 0 0 0.02 0.23 -5 0 0 -0.03 0.18 6 0 0 12.66 0.68 -6 0 0 13.39 0.71 6 0 0 12.37 0.68 -7 0 0 -0.03 0.10 7 0 0 -0.04 0.09 1 -1 0 710.18 17.31 -1 -1 0 720.18 17.31 -1 1 0 708.45 17.37 1 1 0 685.26 17.28 -2 1 0 44.62 1.25 2 1 0 46.29 1.25 2 -1 0 43.96 1.27 -2 -1 0 44.25 1.26 -3 -1 0 59.03 1.68 3 1 0 59.95 1.67 3 -1 0 57.73 1.70 -3 1 0 56.99 1.66 4 1 0 14.23 0.65 -4 -1 0 14.69 0.66 4 -1 0 14.64 0.68 5 1 0 1.29 0.28 -5 -1 0 1.34 0.27 5 -1 0 0.75 0.27 5 1 0 1.11 0.29 -5 1 0 1.48 0.28 5 -1 0 1.06 0.27 6 -1 0 1.24 0.27 -6 1 0 0.87 0.24 6 1 0 1.00 0.22 -6 -1 0 1.06 0.26 6 1 0 1.51 0.26 6 -1 0 1.47 0.25 -7 -1 0 0.22 0.16 -7 1 0 0.24 0.12 7 -1 0 0.05 0.10 7 1 0 0.42 0.14 0 -2 0 405.91 9.86 0 -2 0 398.29 9.89 -1 2 0 352.33 8.87 -1 -2 0 352.79 8.89 1 -2 0 366.21 8.89 1 2 0 366.50 8.83 -2 2 0 224.98 5.52 -2 -2 0 216.67 5.54 2 2 0 224.26 5.49 2 -2 0 210.79 5.55 3 -2 0 1.34 0.20 3 2 0 1.41 0.17 -3 2 0 1.43 0.17 -3 -2 0 1.26 0.18 4 -2 0 25.29 0.98 -4 -2 0 24.25 0.94 5 2 0 5.00 0.46 5 2 0 5.81 0.50 -5 -2 0 4.87 0.46 5 -2 0 5.59 0.43 5 -2 0 4.36 0.49 -5 2 0 4.58 0.41 6 -2 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