data_290k_smz-f1_a _audit_creation_method 'SHELXL-2014/7' _shelx_SHELXL_version_number '2014/7' _chemical_name_systematic ' 4-amino-N-(4-methylpyrimidin-2-yl) ' _chemical_name_common ' Sulfamerazine ' _chemical_melting_point ? _chemical_formula_moiety 'C11 H12 N4 O2 S' _chemical_formula_sum 'C11 H12 N4 O2 S' _chemical_formula_weight 264.31 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'C' 'C' 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'H' 'H' 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'N' 'N' 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'O' 'O' 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'S' 'S' 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _space_group_crystal_system orthorhombic _space_group_IT_number 33 _space_group_name_H-M_alt 'P n a 21' _space_group_name_Hall 'P 2c -2n' _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. ; loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, -y, z+1/2' 'x+1/2, -y+1/2, z' '-x+1/2, y+1/2, z+1/2' _cell_length_a 14.5008(2) _cell_length_b 8.21410(10) _cell_length_c 21.9821(4) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 2618.31(7) _cell_formula_units_Z 8 _cell_measurement_temperature 290 _cell_measurement_reflns_used 9652 _cell_measurement_theta_min 1.7970 _cell_measurement_theta_max 29.4310 _exptl_crystal_description Parallelepiped _exptl_crystal_colour Colourless _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_density_diffrn 1.341 _exptl_crystal_F_000 1104 _exptl_transmission_factor_min ? _exptl_transmission_factor_max ? _exptl_crystal_size_max 0.50 _exptl_crystal_size_mid 0.40 _exptl_crystal_size_min 0.20 _exptl_absorpt_coefficient_mu 0.247 _shelx_estimated_absorpt_T_min ? _shelx_estimated_absorpt_T_max ? _exptl_absorpt_correction_type ? _exptl_absorpt_correction_T_min 0.99301 _exptl_absorpt_correction_T_max 1.00000 _exptl_absorpt_correction_type 'multi-scan' _exptl_absorpt_process_details ; CrysAlisPro, Agilent Technologies, Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. ; _diffrn_ambient_temperature 290 _diffrn_radiation_wavelength 0.68890 _diffrn_radiation_type 'Synchrotron' _diffrn_radiation_source 'Diamond Light Source Beamline I19' _diffrn_radiation_monochromator 'double crystal Silicon 111' _diffrn_measurement_specimen_support 'MiTeGen loop' _diffrn_measurement_device 'CrystalLogic Kappa (3 circle)' _diffrn_measurement_device_type 'Rigaku Saturn724+ (2x2 bin mode)' _diffrn_measurement_method ; omega rotation with 1 degree frames ; _diffrn_detector_area_resol_mean ? _diffrn_reflns_number 23762 _diffrn_reflns_av_unetI/netI 0.0442 _diffrn_reflns_av_R_equivalents 0.0446 _diffrn_reflns_limit_h_min -13 _diffrn_reflns_limit_h_max 20 _diffrn_reflns_limit_k_min -11 _diffrn_reflns_limit_k_max 11 _diffrn_reflns_limit_l_min -31 _diffrn_reflns_limit_l_max 27 _diffrn_reflns_theta_min 2.566 _diffrn_reflns_theta_max 29.476 _diffrn_reflns_theta_full 24.415 _diffrn_measured_fraction_theta_max 0.998 _diffrn_measured_fraction_theta_full 0.998 _diffrn_reflns_Laue_measured_fraction_max 0.998 _diffrn_reflns_Laue_measured_fraction_full 0.998 _diffrn_reflns_point_group_measured_fraction_max 0.970 _diffrn_reflns_point_group_measured_fraction_full 0.989 _reflns_number_total 7762 _reflns_number_gt 5613 _reflns_threshold_expression 'I > 2\s(I)' _reflns_Friedel_coverage 0.899 _reflns_Friedel_fraction_max 0.941 _reflns_Friedel_fraction_full 0.980 _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. ; _computing_data_collection ; CrysAlisPro, Agilent Technologies, Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET) (compiled Aug 13 2014,18:06:01) ; _computing_cell_refinement ; CrysAlisPro, Agilent Technologies, Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET) (compiled Aug 13 2014,18:06:01) ; _computing_data_reduction ; CrysAlisPro, Agilent Technologies, Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET) (compiled Aug 13 2014,18:06:01) ; _computing_structure_solution 'SHELXT' _computing_structure_refinement 'SHELXL-2014/7 (Sheldrick, 2014)' _computing_molecular_graphics 'OSCAIL' _computing_publication_material ? _refine_special_details ? _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0541P)^2^+0.3587P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary ? _atom_sites_solution_secondary ? _atom_sites_solution_hydrogens mixed _refine_ls_hydrogen_treatment mixed _refine_ls_extinction_method none _refine_ls_extinction_coef . _refine_ls_abs_structure_details ; Flack x determined using 2003 quotients [(I+)-(I-)]/[(I+)+(I-)] (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259). ; _refine_ls_abs_structure_Flack 0.01(5) _chemical_absolute_configuration ad _refine_ls_number_reflns 7762 _refine_ls_number_parameters 344 _refine_ls_number_restraints 1 _refine_ls_R_factor_all 0.0753 _refine_ls_R_factor_gt 0.0501 _refine_ls_wR_factor_ref 0.1330 _refine_ls_wR_factor_gt 0.1152 _refine_ls_goodness_of_fit_ref 1.032 _refine_ls_restrained_S_all 1.032 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 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 0.64726(6) 0.49599(10) 0.34462(5) 0.0407(2) Uani 1 1 d . . . . . S2 S 0.57775(6) 0.49439(10) 0.65219(5) 0.0401(2) Uani 1 1 d . . . . . O1 O 0.6906(2) 0.3716(3) 0.30941(14) 0.0535(7) Uani 1 1 d . . . . . O2 O 0.55041(19) 0.5229(3) 0.33784(16) 0.0523(7) Uani 1 1 d . . . . . O3 O 0.67500(18) 0.4665(3) 0.65833(15) 0.0510(7) Uani 1 1 d . . . . . O4 O 0.5355(2) 0.6218(3) 0.68652(14) 0.0516(7) Uani 1 1 d . . . . . N1 N 0.8435(3) 1.1157(5) 0.3123(2) 0.0604(11) Uani 1 1 d . . . . . N2 N 0.6566(2) 0.4498(5) 0.41722(18) 0.0468(8) Uani 1 1 d . . . . . N3 N 0.8155(2) 0.4105(4) 0.41787(17) 0.0462(8) Uani 1 1 d . . . . . N4 N 0.7284(3) 0.4270(5) 0.50928(18) 0.0633(10) Uani 1 1 d . . . . . N5 N 0.3809(3) -0.1198(5) 0.6963(2) 0.0781(14) Uani 1 1 d . . . . . H5A H 0.4083 -0.2112 0.6900 0.102 Uiso 1 1 calc R U . . . H5B H 0.3247 -0.1184 0.7088 0.102 Uiso 1 1 calc R U . . . N6 N 0.5683(2) 0.5351(5) 0.57909(17) 0.0479(8) Uani 1 1 d . . . . . N7 N 0.4100(2) 0.5842(4) 0.57955(17) 0.0493(8) Uani 1 1 d . . . . . N8 N 0.4967(3) 0.5663(6) 0.48774(18) 0.0613(10) Uani 1 1 d . . . . . C1 C 0.7063(2) 0.6781(4) 0.3345(2) 0.0378(8) Uani 1 1 d . . . . . C2 C 0.7957(2) 0.6801(4) 0.31105(18) 0.0389(8) Uani 1 1 d . . . . . H2 H 0.8245 0.5830 0.3005 0.051 Uiso 1 1 calc R U . . . C3 C 0.8411(2) 0.8253(5) 0.30366(19) 0.0393(8) Uani 1 1 d . . . . . H3 H 0.9009 0.8259 0.2885 0.051 Uiso 1 1 calc R U . . . C4 C 0.7982(3) 0.9726(5) 0.31876(19) 0.0426(8) Uani 1 1 d . . . . . C5 C 0.7078(3) 0.9691(5) 0.3427(2) 0.0472(9) Uani 1 1 d . . . . . H5 H 0.6784 1.0656 0.3534 0.061 Uiso 1 1 calc R U . . . C6 C 0.6635(3) 0.8231(4) 0.3501(2) 0.0470(9) Uani 1 1 d . . . . . H6 H 0.6039 0.8212 0.3659 0.061 Uiso 1 1 calc R U . . . C7 C 0.7381(3) 0.4290(5) 0.44933(19) 0.0434(9) Uani 1 1 d . . . . . C8 C 0.8068(4) 0.4021(9) 0.5404(3) 0.0847(18) Uani 1 1 d . . . . . H8 H 0.8044 0.3987 0.5827 0.110 Uiso 1 1 calc R U . . . C9 C 0.8899(3) 0.3814(8) 0.5123(3) 0.0784(16) Uani 1 1 d . . . . . H9 H 0.9432 0.3631 0.5348 0.102 Uiso 1 1 calc R U . . . C10 C 0.8927(3) 0.3884(6) 0.4504(2) 0.0561(11) Uani 1 1 d . . . . . C11 C 0.9800(3) 0.3718(8) 0.4149(3) 0.0782(16) Uani 1 1 d . . . . . H11A H 0.9784 0.2727 0.3918 0.102 Uiso 1 1 calc R U . . . H11B H 1.0315 0.3693 0.4423 0.102 Uiso 1 1 calc R U . . . H11C H 0.9863 0.4627 0.3878 0.102 Uiso 1 1 calc R U . . . C12 C 0.5193(2) 0.3143(4) 0.66557(18) 0.0386(8) Uani 1 1 d . . . . . C13 C 0.5635(3) 0.1680(5) 0.6557(3) 0.0506(10) Uani 1 1 d . . . . . H13 H 0.6241 0.1669 0.6418 0.066 Uiso 1 1 calc R U . . . C14 C 0.5178(3) 0.0233(5) 0.6664(2) 0.0580(13) Uani 1 1 d . . . . . H14 H 0.5482 -0.0750 0.6601 0.075 Uiso 1 1 calc R U . . . C15 C 0.4268(3) 0.0230(5) 0.6866(2) 0.0500(10) Uani 1 1 d . . . . . C16 C 0.3830(3) 0.1715(5) 0.69674(19) 0.0451(9) Uani 1 1 d . . . . . H16 H 0.3225 0.1732 0.7107 0.059 Uiso 1 1 calc R U . . . C17 C 0.4287(3) 0.3161(5) 0.6863(2) 0.0409(9) Uani 1 1 d . . . . . H17 H 0.3989 0.4147 0.6931 0.053 Uiso 1 1 calc R U . . . C18 C 0.4871(3) 0.5640(5) 0.54811(19) 0.0427(8) Uani 1 1 d . . . . . C19 C 0.4196(4) 0.5993(9) 0.4572(3) 0.0851(19) Uani 1 1 d . . . . . H19 H 0.4225 0.6042 0.4149 0.111 Uiso 1 1 calc R U . . . C20 C 0.3371(4) 0.6262(8) 0.4847(3) 0.0844(18) Uani 1 1 d . . . . . H20 H 0.2849 0.6519 0.4621 0.110 Uiso 1 1 calc R U . . . C21 C 0.3330(3) 0.6143(6) 0.5474(2) 0.0566(11) Uani 1 1 d . . . . . C22 C 0.2465(3) 0.6339(9) 0.5828(3) 0.0859(18) Uani 1 1 d . . . . . H22A H 0.2339 0.7477 0.5884 0.112 Uiso 1 1 calc R U . . . H22B H 0.2533 0.5825 0.6218 0.112 Uiso 1 1 calc R U . . . H22C H 0.1964 0.5842 0.5612 0.112 Uiso 1 1 calc R U . . . H1N1 H 0.891(4) 1.119(6) 0.293(3) 0.071(16) Uiso 1 1 d . . . . . H2N1 H 0.812(4) 1.205(8) 0.316(3) 0.10(2) Uiso 1 1 d . . . . . H1N2 H 0.616(3) 0.479(4) 0.437(2) 0.035(11) Uiso 1 1 d . . . . . H1N6 H 0.621(4) 0.494(6) 0.559(3) 0.073(17) Uiso 1 1 d . . . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 S1 0.0385(4) 0.0432(4) 0.0403(5) 0.0033(4) -0.0013(4) -0.0026(3) S2 0.0372(4) 0.0440(4) 0.0392(5) 0.0046(4) -0.0013(4) -0.0024(3) O1 0.0634(18) 0.0445(14) 0.0526(19) -0.0052(13) 0.0008(15) -0.0010(13) O2 0.0388(13) 0.0657(17) 0.0524(19) 0.0093(15) -0.0081(14) -0.0061(12) O3 0.0372(13) 0.0668(17) 0.0490(18) 0.0082(15) -0.0076(14) -0.0046(12) O4 0.0582(18) 0.0419(14) 0.0546(18) -0.0046(12) -0.0002(14) -0.0031(12) N1 0.055(2) 0.0464(19) 0.080(3) -0.0093(19) 0.022(2) -0.0058(17) N2 0.0321(16) 0.063(2) 0.045(2) 0.0120(18) 0.0016(15) 0.0020(14) N3 0.0379(16) 0.0508(17) 0.050(2) 0.0047(15) 0.0021(15) 0.0029(13) N4 0.048(2) 0.098(3) 0.045(2) 0.009(2) -0.0027(18) 0.015(2) N5 0.068(3) 0.0458(19) 0.121(4) -0.005(2) 0.023(3) -0.0117(18) N6 0.0357(16) 0.069(2) 0.039(2) 0.0119(17) 0.0028(15) 0.0036(15) N7 0.0378(17) 0.0571(19) 0.053(2) 0.0033(17) 0.0011(15) 0.0056(14) N8 0.0450(18) 0.096(3) 0.043(2) 0.007(2) -0.0029(17) 0.0156(19) C1 0.0388(18) 0.0404(16) 0.034(2) 0.0031(15) 0.0018(16) 0.0020(13) C2 0.0355(17) 0.0430(18) 0.038(2) -0.0028(15) 0.0021(15) 0.0049(13) C3 0.0345(18) 0.049(2) 0.035(2) 0.0014(16) 0.0051(16) -0.0002(14) C4 0.0414(19) 0.0459(19) 0.040(2) -0.0031(15) 0.0017(17) -0.0011(14) C5 0.047(2) 0.0435(18) 0.052(3) -0.0030(19) 0.009(2) 0.0033(14) C6 0.0391(18) 0.0474(19) 0.054(3) -0.0018(19) 0.0102(18) 0.0041(14) C7 0.0367(18) 0.049(2) 0.044(2) 0.0086(17) -0.0014(17) 0.0024(15) C8 0.060(3) 0.143(5) 0.052(3) 0.008(3) -0.008(3) 0.027(3) C9 0.047(3) 0.122(4) 0.066(4) -0.001(3) -0.014(3) 0.020(3) C10 0.041(2) 0.064(3) 0.064(3) 0.000(2) -0.001(2) 0.0070(18) C11 0.043(2) 0.099(4) 0.093(4) -0.005(3) 0.009(3) 0.012(2) C12 0.0369(16) 0.0388(16) 0.040(2) -0.0011(14) 0.0004(16) 0.0009(13) C13 0.0375(19) 0.046(2) 0.068(3) 0.000(2) 0.010(2) 0.0046(14) C14 0.051(2) 0.0392(19) 0.084(4) -0.004(2) 0.010(2) 0.0028(16) C15 0.054(2) 0.0411(19) 0.055(3) -0.0026(17) 0.006(2) -0.0047(16) C16 0.043(2) 0.0478(19) 0.045(2) -0.0045(17) 0.0065(18) -0.0044(15) C17 0.042(2) 0.0404(18) 0.041(2) -0.0014(16) 0.0053(17) 0.0042(14) C18 0.0389(19) 0.0487(19) 0.041(2) 0.0074(17) 0.0005(17) 0.0014(15) C19 0.061(3) 0.149(6) 0.046(3) 0.007(3) -0.007(2) 0.033(3) C20 0.053(3) 0.133(5) 0.067(4) 0.000(3) -0.018(3) 0.035(3) C21 0.044(2) 0.064(3) 0.062(3) 0.000(2) -0.004(2) 0.0123(19) C22 0.042(2) 0.117(5) 0.099(4) -0.002(4) 0.008(3) 0.015(3) _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 1.427(3) . ? S1 O2 1.429(3) . ? S1 N2 1.646(4) . ? S1 C1 1.738(4) . ? S2 O4 1.428(3) . ? S2 O3 1.435(3) . ? S2 N6 1.647(4) . ? S2 C12 1.730(4) . ? N1 C4 1.354(5) . ? N1 H1N1 0.82(5) . ? N1 H2N1 0.87(6) . ? N2 C7 1.387(5) . ? N2 H1N2 0.78(4) . ? N3 C7 1.327(5) . ? N3 C10 1.341(5) . ? N4 C7 1.325(6) . ? N4 C8 1.343(6) . ? N5 C15 1.365(5) . ? N5 H5A 0.8600 . ? N5 H5B 0.8600 . ? N6 C18 1.380(5) . ? N6 H1N6 0.94(5) . ? N7 C18 1.325(5) . ? N7 C21 1.345(6) . ? N8 C19 1.332(6) . ? N8 C18 1.334(6) . ? C1 C6 1.387(5) . ? C1 C2 1.394(5) . ? C2 C3 1.372(5) . ? C2 H2 0.9300 . ? C3 C4 1.401(5) . ? C3 H3 0.9300 . ? C4 C5 1.413(5) . ? C5 C6 1.370(5) . ? C5 H5 0.9300 . ? C6 H6 0.9300 . ? C8 C9 1.366(7) . ? C8 H8 0.9300 . ? C9 C10 1.362(7) . ? C9 H9 0.9300 . ? C10 C11 1.494(6) . ? C11 H11A 0.9600 . ? C11 H11B 0.9600 . ? C11 H11C 0.9600 . ? C12 C13 1.379(5) . ? C12 C17 1.391(5) . ? C13 C14 1.382(6) . ? C13 H13 0.9300 . ? C14 C15 1.393(6) . ? C14 H14 0.9300 . ? C15 C16 1.393(5) . ? C16 C17 1.379(5) . ? C16 H16 0.9300 . ? C17 H17 0.9300 . ? C19 C20 1.360(7) . ? C19 H19 0.9300 . ? C20 C21 1.382(8) . ? C20 H20 0.9300 . ? C21 C22 1.485(7) . ? C22 H22A 0.9600 . ? C22 H22B 0.9600 . ? C22 H22C 0.9600 . ? 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 O2 119.10(19) . . ? O1 S1 N2 108.9(2) . . ? O2 S1 N2 102.56(19) . . ? O1 S1 C1 109.24(19) . . ? O2 S1 C1 109.74(17) . . ? N2 S1 C1 106.4(2) . . ? O4 S2 O3 119.22(19) . . ? O4 S2 N6 109.32(19) . . ? O3 S2 N6 101.89(19) . . ? O4 S2 C12 109.09(18) . . ? O3 S2 C12 109.22(17) . . ? N6 S2 C12 107.38(19) . . ? C4 N1 H1N1 120(4) . . ? C4 N1 H2N1 118(4) . . ? H1N1 N1 H2N1 118(5) . . ? C7 N2 S1 126.3(3) . . ? C7 N2 H1N2 113(3) . . ? S1 N2 H1N2 115(3) . . ? C7 N3 C10 116.3(4) . . ? C7 N4 C8 114.8(4) . . ? C15 N5 H5A 120.0 . . ? C15 N5 H5B 120.0 . . ? H5A N5 H5B 120.0 . . ? C18 N6 S2 126.0(3) . . ? C18 N6 H1N6 122(3) . . ? S2 N6 H1N6 108(3) . . ? C18 N7 C21 116.7(4) . . ? C19 N8 C18 114.7(4) . . ? C6 C1 C2 119.9(3) . . ? C6 C1 S1 119.1(3) . . ? C2 C1 S1 121.0(3) . . ? C3 C2 C1 120.0(3) . . ? C3 C2 H2 120.0 . . ? C1 C2 H2 120.0 . . ? C2 C3 C4 120.7(3) . . ? C2 C3 H3 119.7 . . ? C4 C3 H3 119.7 . . ? N1 C4 C3 120.7(4) . . ? N1 C4 C5 120.5(4) . . ? C3 C4 C5 118.8(3) . . ? C6 C5 C4 119.8(3) . . ? C6 C5 H5 120.1 . . ? C4 C5 H5 120.1 . . ? C5 C6 C1 120.8(3) . . ? C5 C6 H6 119.6 . . ? C1 C6 H6 119.6 . . ? N4 C7 N3 127.3(4) . . ? N4 C7 N2 114.7(4) . . ? N3 C7 N2 118.0(4) . . ? N4 C8 C9 122.3(5) . . ? N4 C8 H8 118.8 . . ? C9 C8 H8 118.8 . . ? C10 C9 C8 118.3(5) . . ? C10 C9 H9 120.8 . . ? C8 C9 H9 120.8 . . ? N3 C10 C9 120.9(4) . . ? N3 C10 C11 116.2(4) . . ? C9 C10 C11 122.9(5) . . ? C10 C11 H11A 109.5 . . ? C10 C11 H11B 109.5 . . ? H11A C11 H11B 109.5 . . ? C10 C11 H11C 109.5 . . ? H11A C11 H11C 109.5 . . ? H11B C11 H11C 109.5 . . ? C13 C12 C17 120.0(3) . . ? C13 C12 S2 119.3(3) . . ? C17 C12 S2 120.6(3) . . ? C12 C13 C14 120.0(3) . . ? C12 C13 H13 120.0 . . ? C14 C13 H13 120.0 . . ? C13 C14 C15 120.7(4) . . ? C13 C14 H14 119.6 . . ? C15 C14 H14 119.6 . . ? N5 C15 C14 120.9(4) . . ? N5 C15 C16 120.3(4) . . ? C14 C15 C16 118.8(3) . . ? C17 C16 C15 120.5(3) . . ? C17 C16 H16 119.7 . . ? C15 C16 H16 119.7 . . ? C16 C17 C12 120.0(3) . . ? C16 C17 H17 120.0 . . ? C12 C17 H17 120.0 . . ? N7 C18 N8 127.2(4) . . ? N7 C18 N6 118.9(4) . . ? N8 C18 N6 113.9(4) . . ? N8 C19 C20 123.2(5) . . ? N8 C19 H19 118.4 . . ? C20 C19 H19 118.4 . . ? C19 C20 C21 118.0(5) . . ? C19 C20 H20 121.0 . . ? C21 C20 H20 121.0 . . ? N7 C21 C20 120.1(4) . . ? N7 C21 C22 116.4(5) . . ? C20 C21 C22 123.4(5) . . ? C21 C22 H22A 109.5 . . ? C21 C22 H22B 109.5 . . ? H22A C22 H22B 109.5 . . ? C21 C22 H22C 109.5 . . ? H22A C22 H22C 109.5 . . ? H22B C22 H22C 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 O1 S1 N2 C7 60.2(4) . . . . ? O2 S1 N2 C7 -172.7(4) . . . . ? C1 S1 N2 C7 -57.5(4) . . . . ? O4 S2 N6 C18 -56.2(4) . . . . ? O3 S2 N6 C18 176.8(4) . . . . ? C12 S2 N6 C18 62.0(4) . . . . ? O1 S1 C1 C6 162.4(3) . . . . ? O2 S1 C1 C6 30.1(4) . . . . ? N2 S1 C1 C6 -80.1(4) . . . . ? O1 S1 C1 C2 -17.7(4) . . . . ? O2 S1 C1 C2 -150.0(3) . . . . ? N2 S1 C1 C2 99.7(4) . . . . ? C6 C1 C2 C3 0.1(6) . . . . ? S1 C1 C2 C3 -179.8(3) . . . . ? C1 C2 C3 C4 -0.7(6) . . . . ? C2 C3 C4 N1 179.0(4) . . . . ? C2 C3 C4 C5 1.0(6) . . . . ? N1 C4 C5 C6 -178.6(4) . . . . ? C3 C4 C5 C6 -0.7(7) . . . . ? C4 C5 C6 C1 0.1(7) . . . . ? C2 C1 C6 C5 0.2(7) . . . . ? S1 C1 C6 C5 -179.9(4) . . . . ? C8 N4 C7 N3 -0.6(7) . . . . ? C8 N4 C7 N2 178.1(5) . . . . ? C10 N3 C7 N4 -0.4(6) . . . . ? C10 N3 C7 N2 -179.1(4) . . . . ? S1 N2 C7 N4 166.1(4) . . . . ? S1 N2 C7 N3 -15.0(6) . . . . ? C7 N4 C8 C9 0.4(9) . . . . ? N4 C8 C9 C10 0.7(10) . . . . ? C7 N3 C10 C9 1.7(7) . . . . ? C7 N3 C10 C11 -178.6(4) . . . . ? C8 C9 C10 N3 -1.8(9) . . . . ? C8 C9 C10 C11 178.4(6) . . . . ? O4 S2 C12 C13 -157.5(3) . . . . ? O3 S2 C12 C13 -25.6(4) . . . . ? N6 S2 C12 C13 84.2(4) . . . . ? O4 S2 C12 C17 22.3(4) . . . . ? O3 S2 C12 C17 154.2(3) . . . . ? N6 S2 C12 C17 -96.1(4) . . . . ? C17 C12 C13 C14 -0.1(7) . . . . ? S2 C12 C13 C14 179.7(4) . . . . ? C12 C13 C14 C15 0.8(8) . . . . ? C13 C14 C15 N5 179.0(5) . . . . ? C13 C14 C15 C16 -1.1(7) . . . . ? N5 C15 C16 C17 -179.3(4) . . . . ? C14 C15 C16 C17 0.8(7) . . . . ? C15 C16 C17 C12 -0.1(6) . . . . ? C13 C12 C17 C16 -0.2(6) . . . . ? S2 C12 C17 C16 180.0(3) . . . . ? C21 N7 C18 N8 -1.7(6) . . . . ? C21 N7 C18 N6 179.1(4) . . . . ? C19 N8 C18 N7 2.9(7) . . . . ? C19 N8 C18 N6 -177.9(5) . . . . ? S2 N6 C18 N7 10.1(6) . . . . ? S2 N6 C18 N8 -169.1(3) . . . . ? C18 N8 C19 C20 -1.0(10) . . . . ? N8 C19 C20 C21 -1.8(11) . . . . ? C18 N7 C21 C20 -1.4(7) . . . . ? C18 N7 C21 C22 179.0(5) . . . . ? C19 C20 C21 N7 3.0(9) . . . . ? C19 C20 C21 C22 -177.4(6) . . . . ? _refine_diff_density_max 0.248 _refine_diff_density_min -0.260 _refine_diff_density_rms 0.043 _shelx_res_file ; 290k_smz-f1_a.res created by SHELXL-2014/7 TITL 290k_smz-f1_a.res in Pna2(1) REM Old TITL 003_290K_SulfamerazineF1_ in Pna2(1) REM SHELXT solution in Pna2(1) REM R1 0.116, Rweak 0.034, Alpha 0.003, Orientation as input REM Flack x = 0.130 ( 0.062 ) from Parsons' quotients REM Formula found by SHELXT: C26 N4 O4 S2 CELL 0.68890 14.5008 8.2141 21.9821 90.000 90.000 90.000 ZERR 8.000 0.0002 0.0001 0.0004 0.000 0.000 0.000 REM SG 33 4 4 Pna21 PGmm2 Orthorhombic LATT -1 REM SG ASUN 1 .5 .5 1. REM SG ORGN on 2(1) SYMM -X,-Y,0.5+Z SYMM 0.5+X,0.5-Y,Z SYMM 0.5-X,0.5+Y,0.5+Z SFAC C H N O S UNIT 88.00 96.00 32.00 16.00 8.00 L.S. 10 BOND $H FMAP 2 PLAN 20 ACTA CONF HTAB LIST 4 WGHT 0.054100 0.358700 FVAR 0.42068 0.35344 S1 5 0.647260 0.495992 0.344623 11.00000 0.03846 0.04320 = 0.04030 0.00328 -0.00133 -0.00257 S2 5 0.577745 0.494386 0.652192 11.00000 0.03717 0.04399 = 0.03921 0.00459 -0.00135 -0.00241 O1 4 0.690573 0.371612 0.309412 11.00000 0.06337 0.04451 = 0.05265 -0.00519 0.00083 -0.00095 O2 4 0.550413 0.522894 0.337837 11.00000 0.03878 0.06571 = 0.05243 0.00929 -0.00810 -0.00614 O3 4 0.675001 0.466543 0.658331 11.00000 0.03717 0.06681 = 0.04903 0.00819 -0.00758 -0.00464 O4 4 0.535540 0.621844 0.686520 11.00000 0.05821 0.04192 = 0.05459 -0.00464 -0.00018 -0.00308 N1 3 0.843486 1.115695 0.312349 11.00000 0.05489 0.04642 = 0.07983 -0.00930 0.02226 -0.00579 N2 3 0.656575 0.449808 0.417220 11.00000 0.03212 0.06299 = 0.04515 0.01200 0.00155 0.00196 N3 3 0.815511 0.410515 0.417869 11.00000 0.03791 0.05076 = 0.05002 0.00471 0.00209 0.00287 N4 3 0.728404 0.427040 0.509283 11.00000 0.04799 0.09751 = 0.04453 0.00891 -0.00266 0.01498 N5 3 0.380948 -0.119815 0.696329 11.00000 0.06799 0.04580 = 0.12063 -0.00508 0.02313 -0.01165 AFIX 93 H5A 2 0.408298 -0.211179 0.690040 11.00000 -1.30000 H5B 2 0.324725 -0.118409 0.708770 11.00000 -1.30000 AFIX 0 N6 3 0.568276 0.535109 0.579094 11.00000 0.03571 0.06874 = 0.03911 0.01194 0.00276 0.00364 N7 3 0.410010 0.584192 0.579547 11.00000 0.03784 0.05711 = 0.05309 0.00328 0.00112 0.00558 N8 3 0.496686 0.566311 0.487741 11.00000 0.04495 0.09570 = 0.04338 0.00697 -0.00291 0.01561 C1 1 0.706340 0.678106 0.334470 11.00000 0.03878 0.04037 = 0.03439 0.00305 0.00177 0.00203 C2 1 0.795701 0.680051 0.311052 11.00000 0.03554 0.04303 = 0.03823 -0.00281 0.00212 0.00485 AFIX 43 H2 2 0.824530 0.582972 0.300456 11.00000 -1.30000 AFIX 0 C3 1 0.841056 0.825272 0.303656 11.00000 0.03446 0.04884 = 0.03475 0.00140 0.00505 -0.00021 AFIX 43 H3 2 0.900905 0.825889 0.288451 11.00000 -1.30000 AFIX 0 C4 1 0.798183 0.972615 0.318762 11.00000 0.04141 0.04592 = 0.04040 -0.00309 0.00170 -0.00112 C5 1 0.707756 0.969084 0.342722 11.00000 0.04657 0.04352 = 0.05164 -0.00299 0.00859 0.00326 AFIX 43 H5 2 0.678403 1.065592 0.353421 11.00000 -1.30000 AFIX 0 C6 1 0.663453 0.823075 0.350144 11.00000 0.03910 0.04741 = 0.05441 -0.00181 0.01024 0.00405 AFIX 43 H6 2 0.603927 0.821170 0.365876 11.00000 -1.30000 AFIX 0 C7 1 0.738085 0.428966 0.449334 11.00000 0.03671 0.04905 = 0.04444 0.00858 -0.00135 0.00241 C8 1 0.806775 0.402067 0.540444 11.00000 0.05952 0.14279 = 0.05169 0.00754 -0.00799 0.02656 AFIX 43 H8 2 0.804363 0.398710 0.582702 11.00000 -1.30000 AFIX 0 C9 1 0.889897 0.381421 0.512286 11.00000 0.04652 0.12239 = 0.06620 -0.00115 -0.01361 0.02008 AFIX 43 H9 2 0.943206 0.363054 0.534784 11.00000 -1.30000 AFIX 0 C10 1 0.892735 0.388417 0.450405 11.00000 0.04100 0.06379 = 0.06365 -0.00016 -0.00131 0.00697 C11 1 0.980024 0.371770 0.414880 11.00000 0.04288 0.09866 = 0.09316 -0.00451 0.00894 0.01168 AFIX 137 H11A 2 0.978377 0.272656 0.391763 11.00000 -1.30000 H11B 2 1.031544 0.369256 0.442290 11.00000 -1.30000 H11C 2 0.986256 0.462698 0.387753 11.00000 -1.30000 AFIX 0 C12 1 0.519305 0.314318 0.665573 11.00000 0.03691 0.03884 = 0.04002 -0.00107 0.00036 0.00089 C13 1 0.563547 0.168037 0.655669 11.00000 0.03751 0.04610 = 0.06818 0.00032 0.01024 0.00462 AFIX 43 H13 2 0.624115 0.166853 0.641764 11.00000 -1.30000 AFIX 0 C14 1 0.517846 0.023289 0.666416 11.00000 0.05067 0.03919 = 0.08409 -0.00432 0.01022 0.00284 AFIX 43 H14 2 0.548217 -0.075002 0.660131 11.00000 -1.30000 AFIX 0 C15 1 0.426777 0.022973 0.686562 11.00000 0.05383 0.04115 = 0.05494 -0.00264 0.00577 -0.00467 C16 1 0.382997 0.171512 0.696744 11.00000 0.04289 0.04782 = 0.04462 -0.00445 0.00653 -0.00437 AFIX 43 H16 2 0.322458 0.173171 0.710696 11.00000 -1.30000 AFIX 0 C17 1 0.428701 0.316086 0.686303 11.00000 0.04167 0.04044 = 0.04062 -0.00139 0.00533 0.00419 AFIX 43 H17 2 0.398944 0.414707 0.693123 11.00000 -1.30000 AFIX 0 C18 1 0.487140 0.564015 0.548108 11.00000 0.03892 0.04871 = 0.04056 0.00736 0.00047 0.00143 C19 1 0.419646 0.599330 0.457169 11.00000 0.06066 0.14899 = 0.04561 0.00697 -0.00672 0.03293 AFIX 43 H19 2 0.422451 0.604233 0.414942 11.00000 -1.30000 AFIX 0 C20 1 0.337054 0.626231 0.484716 11.00000 0.05340 0.13318 = 0.06677 0.00002 -0.01800 0.03463 AFIX 43 H20 2 0.284875 0.651919 0.462067 11.00000 -1.30000 AFIX 0 C21 1 0.332985 0.614252 0.547369 11.00000 0.04415 0.06364 = 0.06197 -0.00017 -0.00409 0.01230 C22 1 0.246511 0.633892 0.582808 11.00000 0.04195 0.11711 = 0.09858 -0.00157 0.00819 0.01522 AFIX 137 H22A 2 0.233934 0.747656 0.588401 11.00000 -1.30000 H22B 2 0.253328 0.582501 0.621773 11.00000 -1.30000 H22C 2 0.196369 0.584216 0.561161 11.00000 -1.30000 AFIX 0 H1N1 2 0.891344 1.119038 0.292837 11.00000 0.07106 H2N1 2 0.812221 1.204973 0.316064 11.00000 0.09532 H1N2 2 0.615990 0.479423 0.437350 11.00000 0.03469 H1N6 2 0.620838 0.493613 0.559258 11.00000 0.07344 HKLF 4 REM 290k_smz-f1_a.res in Pna2(1) REM R1 = 0.0501 for 5613 Fo > 4sig(Fo) and 0.0753 for all 7762 data REM 344 parameters refined using 1 restraints END WGHT 0.0484 0.4027 REM Instructions for potential hydrogen bonds EQIV $1 x, y-1, z HTAB N5 O4_$1 HTAB C8 O3 HTAB C14 O4_$1 HTAB C19 O2 EQIV $2 -x+3/2, y+1/2, z-1/2 HTAB N1 O4_$2 EQIV $3 x, y+1, z HTAB N1 O1_$3 HTAB N2 N8 HTAB N6 N4 REM Highest difference peak 0.248, deepest hole -0.260, 1-sigma level 0.043 Q1 1 0.5438 0.3978 0.6614 11.00000 0.05 0.25 Q2 1 0.8087 0.7686 0.3005 11.00000 0.05 0.20 Q3 1 0.6852 0.5956 0.3397 11.00000 0.05 0.20 Q4 1 0.5481 0.1050 0.6817 11.00000 0.05 0.17 Q5 1 0.7537 0.6426 0.3439 11.00000 0.05 0.17 Q6 1 0.6954 0.8946 0.3439 11.00000 0.05 0.16 Q7 1 0.5927 0.1606 0.6600 11.00000 0.05 0.16 Q8 1 0.4747 0.3300 0.6608 11.00000 0.05 0.16 Q9 1 0.7445 0.6991 0.3166 11.00000 0.05 0.16 Q10 1 0.6879 0.3829 0.6414 11.00000 0.05 0.15 Q11 1 0.2316 0.4891 0.5965 11.00000 0.05 0.15 Q12 1 0.7514 0.9744 0.3175 11.00000 0.05 0.15 Q13 1 0.5308 0.1032 0.6514 11.00000 0.05 0.15 Q14 1 0.3068 0.1169 0.6662 11.00000 0.05 0.15 Q15 1 0.4806 0.6172 0.6681 11.00000 0.05 0.15 Q16 1 0.5905 0.5924 0.3439 11.00000 0.05 0.15 Q17 1 1.0159 0.4901 0.4255 11.00000 0.05 0.15 Q18 1 0.7390 0.5084 0.4799 11.00000 0.05 0.15 Q19 1 0.1865 0.6701 0.5723 11.00000 0.05 0.15 Q20 1 0.4300 0.5942 0.6170 11.00000 0.05 0.15 ; _shelx_res_checksum 30499 _shelx_hkl_file ; 0 0 -29 -0.41 2.28 0 0 -28 75.52 8.50 0 0 -27 1.19 2.25 0 0 -26 229.26 14.22 0 0 -25 0.61 1.73 0 0 -24 -1.73 1.32 0 0 -23 2.11 1.58 0 0 -22 17.79 3.69 0 0 -21 -0.60 1.20 0 0 -20 294.37 14.19 0 0 -19 -0.29 0.72 0 0 -18 46.85 5.47 0 0 -17 0.08 0.89 0 0 -16 189.13 10.21 0 0 -15 -0.52 0.96 0 0 -14 55.27 5.25 0 0 -13 0.24 1.01 0 0 -12 2222.08 30.36 0 0 -11 -0.38 0.52 0 0 -10 361.64 11.10 0 0 -9 -0.76 0.36 0 0 -8 9999.00 52.50 0 0 -7 0.93 0.56 0 0 -5 0.13 0.24 0 0 -4 2798.50 19.65 0 0 -3 2.64 0.51 0 0 4 2850.99 14.70 0 0 5 0.00 0.23 0 0 7 0.18 0.41 0 0 9 -0.14 0.43 0 0 10 353.52 8.28 0 0 11 -0.25 0.30 0 0 12 2322.01 23.13 0 0 13 0.57 0.39 0 0 14 51.93 3.82 0 0 15 -0.14 0.33 0 0 16 186.66 7.79 0 0 17 -0.32 0.36 0 0 17 0.62 1.12 0 0 18 34.93 3.61 0 0 19 0.02 1.06 0 -1 -31 4.05 2.62 0 -1 -30 0.35 2.32 0 -1 -29 3.69 1.59 0 -1 -28 2.35 2.71 0 -1 -27 -1.12 1.96 0 -1 -26 -0.65 0.99 0 1 -26 -1.85 2.09 0 -1 -25 5.41 2.54 0 1 -25 0.18 1.18 0 1 -24 -0.36 1.49 0 -1 -24 0.50 1.73 0 1 -23 1.63 1.93 0 -1 -23 2.95 1.61 0 1 -22 0.89 1.38 0 -1 -22 -1.23 1.04 0 1 -21 46.62 5.78 0 -1 -21 64.44 6.91 0 1 -20 1.09 0.71 0 -1 -20 0.52 1.65 0 -1 -19 3.75 1.72 0 1 -19 5.31 2.15 0 1 -18 1.14 1.49 0 -1 -18 -0.51 0.63 0 -1 -17 10.59 2.71 0 1 -17 11.95 2.68 0 1 -16 -0.24 0.62 0 -1 -16 0.94 1.23 0 -1 -15 54.33 5.57 0 1 -15 47.28 4.96 0 -1 -14 0.80 0.59 0 1 -14 0.30 0.94 0 1 -13 81.98 5.82 0 -1 -13 88.31 6.46 0 1 -12 0.16 0.68 0 -1 -12 1.43 1.42 0 -1 -11 36.26 3.76 0 1 -11 34.40 3.55 0 -1 -10 0.15 0.91 0 1 -10 0.35 0.63 0 1 -9 1060.24 10.31 0 -1 -9 1032.22 18.66 0 1 -9 1033.65 16.93 0 1 -8 0.33 0.49 0 -1 -8 0.22 0.78 0 1 -8 0.03 0.18 0 1 -7 1002.99 14.42 0 1 -7 1014.54 9.60 0 -1 -6 0.39 0.78 0 1 -6 -0.17 0.25 0 1 -6 -0.17 0.12 0 1 -5 1866.24 16.20 0 -1 -5 1882.67 19.80 0 -1 -5 1907.18 18.39 0 1 -5 1901.37 12.81 0 1 -4 -0.07 0.20 0 -1 -4 -0.16 0.28 0 -1 -4 0.17 0.41 0 1 -4 -0.14 0.23 0 -1 -3 828.38 10.80 0 1 -3 818.29 8.48 0 -1 -3 833.35 10.87 0 -1 -2 -0.15 0.19 0 -1 -2 0.25 0.31 0 1 -2 0.08 0.15 0 -1 -1 383.84 5.50 0 -1 -1 394.52 6.46 0 1 -1 385.04 6.09 0 1 0 -0.37 0.36 0 -1 0 -0.12 0.19 0 1 1 392.47 6.56 0 -1 1 383.98 5.42 0 1 2 0.00 0.15 0 -1 2 0.24 0.10 0 1 3 834.66 10.41 0 -1 5 1885.69 10.98 0 -1 6 0.11 0.17 0 -1 7 997.51 9.23 0 -1 8 0.04 0.16 0 1 8 0.92 0.74 0 -1 9 1040.54 11.00 0 1 9 1043.97 16.28 0 -1 10 -0.28 0.27 0 1 10 0.55 0.30 0 1 11 31.07 3.00 0 -1 11 37.85 2.35 0 -1 12 0.48 0.20 0 1 12 0.21 0.77 0 -1 13 87.24 4.02 0 1 13 80.78 5.24 0 1 14 0.05 0.87 0 -1 14 -0.15 0.40 0 1 14 -0.13 0.48 0 -1 15 45.27 3.17 0 1 15 44.27 4.06 0 1 16 0.26 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0.99 0 -4 -3 0.87 0.93 0 -4 -2 319.22 11.17 0 4 -2 318.22 11.27 0 -4 -1 0.26 0.26 0 4 -1 0.75 0.88 0 -4 -1 0.47 0.77 0 4 0 139.82 7.59 0 -4 0 153.42 5.51 0 -4 0 136.40 7.15 0 -4 1 0.71 0.64 0 4 1 -1.00 1.08 0 -4 1 0.34 0.46 0 4 2 299.81 11.17 0 -4 2 299.43 6.75 0 -4 2 306.24 10.34 0 4 3 0.32 0.71 0 -4 3 -0.33 0.48 0 -4 4 1279.10 20.39 0 -4 4 1226.23 12.68 0 4 4 1250.62 23.30 0 -4 5 0.07 0.37 0 4 5 0.56 0.96 0 -4 5 0.79 0.82 0 -4 6 533.84 8.64 0 4 6 515.99 15.30 0 -4 7 0.06 0.40 0 4 7 0.07 0.95 0 4 8 309.27 12.06 0 -4 8 302.54 9.36 0 -4 9 0.30 0.61 0 4 9 -0.52 0.97 0 4 10 1173.36 24.04 0 -4 10 1104.70 17.19 0 4 11 1.22 1.21 0 -4 11 -0.32 0.55 0 4 12 376.14 14.12 0 -4 12 394.15 9.55 0 4 13 0.43 1.03 0 -4 13 -0.09 0.28 0 4 14 123.03 8.73 0 4 14 119.42 8.14 0 4 15 -0.66 1.27 0 4 15 0.01 1.19 0 4 16 416.70 15.68 0 4 16 409.13 16.46 0 4 17 -0.20 0.79 0 4 17 1.01 1.71 0 4 18 73.67 7.13 0 4 18 69.10 6.49 0 4 19 -0.19 2.04 0 4 19 0.04 1.37 0 4 20 33.68 4.79 0 4 20 14.60 3.86 0 4 21 -0.16 1.02 0 4 22 117.55 9.64 0 4 23 1.19 2.29 0 4 24 6.87 2.62 0 -5 -28 -0.92 1.50 0 -5 -27 1.97 1.92 0 -5 -26 1.48 2.90 0 -5 -25 1.08 1.33 0 -5 -24 -0.65 1.52 0 -5 -23 12.11 3.68 0 -5 -22 1.32 1.63 0 -5 -21 3.68 2.14 0 -5 -20 -0.01 1.50 0 -5 -19 1.42 1.55 0 -5 -18 -0.21 1.07 0 -5 -17 5.52 2.23 0 -5 -16 -0.66 1.35 0 -5 -15 2.49 2.32 0 -5 -14 -0.11 0.98 0 -5 -13 20.27 3.85 0 5 -13 14.00 2.53 0 -5 -12 -1.07 0.99 0 5 -12 1.45 0.78 0 5 -11 8.65 2.27 0 -5 -11 6.27 2.01 0 -5 -10 2.02 1.16 0 -5 -10 -0.64 0.79 0 5 -10 -0.16 0.78 0 -5 -9 6.31 1.76 0 5 -9 3.10 1.20 0 -5 -9 4.69 2.00 0 -5 -8 -0.62 1.07 0 -5 -8 1.58 1.55 0 5 -8 0.02 0.87 0 -5 -7 70.40 6.23 0 5 -7 68.80 5.76 0 -5 -7 67.61 5.58 0 5 -6 -0.04 0.63 0 -5 -6 0.26 0.56 0 -5 -6 1.24 1.06 0 5 -5 132.74 7.99 0 -5 -5 132.66 7.24 0 -5 -4 0.82 0.61 0 5 -4 0.92 1.57 0 -5 -4 -0.28 0.77 0 -5 -3 105.59 6.00 0 5 -3 114.19 7.45 0 -5 -3 127.95 7.83 0 -5 -2 0.41 0.97 0 5 -2 0.76 0.72 0 -5 -2 0.36 0.79 0 -5 -1 32.50 4.07 0 -5 -1 30.78 3.00 0 5 -1 31.43 3.99 0 5 0 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13.71 0 -6 3 0.10 1.53 0 -6 3 0.11 0.55 0 6 4 475.75 17.19 0 -6 4 482.68 15.66 0 6 5 1.65 2.10 0 -6 5 0.54 0.60 0 -6 5 -0.32 0.63 0 6 6 1078.56 26.67 0 -6 6 1121.43 23.65 0 -6 7 -0.64 0.92 0 6 7 -1.17 1.54 0 6 8 19.94 3.77 0 -6 8 19.86 3.07 0 -6 9 0.50 1.12 0 6 9 -0.44 1.01 0 -6 10 182.17 9.14 0 6 10 180.97 11.19 0 6 11 0.48 1.45 0 -6 11 0.04 0.67 0 6 12 127.84 9.68 0 6 13 -0.75 1.00 0 6 14 7.05 2.86 0 6 15 -0.24 1.79 0 6 15 -0.75 1.04 0 6 16 93.72 8.52 0 6 16 98.35 8.83 0 6 17 -1.37 1.84 0 6 17 1.16 1.91 0 6 18 0.50 1.40 0 6 18 -1.51 1.84 0 6 19 -0.18 1.64 0 6 19 -0.52 1.21 0 6 20 42.65 5.93 0 6 20 35.02 5.53 0 6 21 1.86 1.94 0 6 21 0.42 1.19 0 6 22 56.93 7.24 0 6 23 -1.03 1.32 0 6 24 9.49 3.05 0 6 25 -0.74 1.81 0 6 26 23.76 4.94 0 -7 -25 4.61 1.70 0 -7 -24 -2.18 2.58 0 -7 -23 0.15 1.63 0 -7 -22 0.12 1.48 0 -7 -21 6.27 2.73 0 -7 -20 -3.64 2.70 0 -7 -19 14.37 3.63 0 -7 -18 -0.59 1.23 0 -7 -17 0.64 1.43 0 -7 -16 -0.85 1.67 0 -7 -15 7.76 2.31 0 -7 -14 1.40 1.46 0 -7 -13 19.68 3.90 0 -7 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1.75 4 4 -5 62.98 4.39 -4 4 -5 56.66 4.69 4 -4 -5 60.14 5.25 -4 -4 -5 63.02 4.85 4 -4 -5 60.70 5.46 4 4 -5 59.51 5.26 4 4 -4 209.86 8.33 4 4 -4 217.04 10.18 4 -4 -4 203.59 9.44 -4 4 -4 240.16 10.01 4 -4 -4 222.47 10.43 4 4 -3 102.17 6.93 4 -4 -3 85.16 6.06 4 -4 -3 88.39 6.49 4 4 -3 83.91 5.34 4 -4 -2 7.21 1.95 4 4 -2 9.42 1.85 4 4 -2 7.02 1.80 4 -4 -2 5.05 1.52 4 4 -1 3.16 1.31 4 -4 -1 6.14 1.88 4 4 -1 5.51 2.01 4 -4 -1 4.88 1.45 4 -4 0 16.23 2.66 4 -4 0 10.27 2.16 4 4 0 10.74 2.15 4 4 0 12.76 2.57 4 -4 1 2.20 0.95 4 4 1 3.14 1.35 4 4 1 0.91 0.83 4 -4 1 3.81 1.68 4 4 2 7.70 1.89 4 -4 2 6.73 1.86 4 4 2 4.29 1.32 4 -4 2 8.38 1.79 4 4 3 80.45 6.04 4 -4 3 87.21 6.26 4 -4 3 75.72 5.38 4 4 3 88.95 6.36 4 4 4 209.94 9.83 4 -4 4 216.71 9.16 4 4 4 222.63 10.25 4 -4 4 201.96 9.54 4 -4 5 61.62 4.87 4 4 5 57.26 5.26 4 4 5 54.59 5.07 4 -4 5 62.45 5.35 4 -4 6 12.30 2.20 4 4 6 16.97 3.04 4 4 6 10.09 2.18 4 -4 6 12.48 2.55 4 -4 7 110.99 7.06 4 4 7 113.46 7.62 4 4 7 105.27 7.09 4 4 8 16.03 3.10 4 -4 8 11.07 2.42 4 4 8 8.86 2.08 4 -4 9 67.64 5.55 4 4 9 67.36 5.97 4 4 9 59.38 5.41 4 4 10 106.43 7.33 4 4 10 83.94 6.89 4 -4 10 94.52 6.50 4 -4 11 103.52 6.95 4 4 11 109.61 7.46 4 4 11 116.49 8.20 4 -4 12 94.93 6.93 4 4 12 91.55 6.91 4 4 12 96.22 7.64 4 4 13 23.70 3.57 4 -4 13 28.30 3.80 4 4 13 27.29 4.17 4 4 14 50.75 5.20 4 4 14 56.17 6.19 4 -4 14 49.24 5.05 4 4 15 337.72 13.87 4 -4 15 344.94 13.21 4 4 15 323.23 14.71 4 -4 16 53.24 5.39 4 4 16 58.61 5.79 4 4 16 61.54 6.60 4 4 17 4.60 1.91 4 4 17 1.00 0.90 4 4 18 8.09 2.37 4 4 18 10.17 2.65 4 4 19 7.34 2.63 4 4 20 27.22 4.51 -4 4 21 34.92 5.81 4 4 21 40.93 5.77 -4 4 22 10.90 3.01 -4 4 22 8.02 2.82 4 4 22 7.39 2.25 4 4 23 7.03 2.87 4 4 24 0.02 1.91 4 4 25 11.16 2.90 4 4 26 19.51 4.86 4 -5 -27 -0.22 1.51 4 -5 -26 -0.56 2.20 -4 -5 -25 -4.85 3.14 4 -5 -25 -0.21 1.20 -4 -5 -24 8.73 3.24 4 -5 -24 17.43 4.29 -4 -5 -23 -0.31 1.56 4 -5 -23 1.81 1.57 -4 -5 -22 4.46 2.01 4 -5 -22 2.75 2.06 -4 -5 -21 -0.03 1.17 4 -5 -21 4.85 2.75 4 -5 -20 2.68 1.46 -4 -5 -20 4.13 2.57 -4 -5 -19 2.47 1.59 4 -5 -19 0.97 1.25 4 -5 -18 8.91 2.53 4 -5 -18 8.48 2.63 4 -5 -17 34.69 5.31 -4 -5 -17 44.48 5.95 4 -5 -17 43.61 5.63 -4 -5 -16 43.16 5.94 4 -5 -16 46.23 5.84 4 -5 -16 42.88 5.63 -4 -5 -15 63.96 6.71 4 -5 -15 65.26 6.81 4 -5 -15 61.09 6.74 4 5 -15 62.43 6.19 -4 -5 -14 6.52 2.31 4 5 -14 2.91 0.92 4 -5 -14 3.30 1.78 4 -5 -14 2.98 2.13 4 5 -13 44.93 5.05 4 -5 -13 48.83 5.69 -4 -5 -13 40.33 5.18 4 -5 -13 42.02 5.42 4 5 -12 47.79 5.33 4 -5 -12 48.20 5.70 4 -5 -12 51.94 6.07 -4 -5 -12 48.53 5.58 4 5 -11 2.95 1.62 -4 -5 -11 2.18 1.15 -4 5 -11 2.80 1.27 4 -5 -11 5.29 2.09 4 -5 -11 5.24 1.88 4 5 -10 27.05 4.03 4 -5 -10 27.95 4.17 -4 5 -10 28.74 3.75 -4 -5 -10 28.81 4.25 4 -5 -10 23.92 4.27 4 -5 -9 19.00 3.46 4 -5 -9 33.69 4.65 4 5 -9 21.25 3.56 -4 -5 -9 22.75 3.33 4 5 -9 23.47 2.83 -4 5 -9 20.94 3.13 -4 -5 -8 16.72 3.07 -4 5 -8 12.34 2.76 4 5 -8 8.92 2.04 4 5 -8 11.94 2.01 4 -5 -8 7.07 1.54 4 -5 -8 11.94 2.64 -4 5 -7 17.27 2.77 4 5 -7 16.59 3.03 -4 -5 -7 12.04 2.40 4 5 -7 13.23 2.27 4 -5 -7 19.74 3.62 4 -5 -7 16.34 3.07 4 5 -6 6.24 1.41 -4 -5 -6 4.29 1.75 4 -5 -6 5.42 1.70 -4 5 -6 7.70 1.99 4 5 -6 6.14 2.00 4 -5 -6 7.32 2.09 4 5 -5 11.31 2.27 4 5 -5 13.41 2.88 -4 -5 -5 9.05 2.05 4 -5 -5 10.36 2.53 -4 5 -5 12.29 2.68 4 -5 -5 13.93 2.83 4 5 -4 51.02 5.31 -4 5 -4 42.68 4.68 4 5 -4 46.91 4.57 4 -5 -4 42.02 4.96 -4 -5 -4 37.65 3.69 4 -5 -4 44.09 4.65 4 5 -3 11.26 2.31 -4 5 -3 10.77 2.32 4 -5 -3 11.20 2.29 4 -5 -3 11.23 2.68 4 5 -3 10.32 2.38 4 -5 -2 2.37 1.62 4 5 -2 -0.10 1.08 -4 5 -2 1.85 1.79 4 5 -2 1.12 1.03 4 -5 -2 1.39 1.39 4 5 -1 27.29 3.96 4 -5 -1 40.12 4.77 -4 5 -1 38.89 4.53 4 -5 -1 39.17 4.33 4 5 -1 36.96 4.14 4 5 0 16.33 3.07 4 5 0 13.13 2.39 -4 5 0 13.92 2.70 4 -5 0 12.66 2.30 4 -5 0 20.45 3.11 4 5 1 30.29 3.80 4 -5 1 34.53 3.94 -4 5 1 38.92 4.59 4 -5 1 33.63 4.23 4 5 1 37.28 4.48 4 -5 2 -0.55 0.54 4 -5 2 -0.11 0.82 4 5 2 0.40 0.84 4 -5 3 5.45 1.64 4 5 3 13.60 2.83 4 5 3 8.47 2.31 4 -5 3 8.80 2.46 4 5 4 50.46 5.22 4 5 4 42.98 4.68 4 -5 4 44.18 4.38 4 -5 4 45.85 4.82 4 -5 5 10.60 2.36 4 5 5 4.17 1.38 4 5 5 10.74 2.73 4 -5 5 10.60 2.01 4 5 6 5.28 1.69 4 5 6 5.25 2.13 4 -5 6 3.79 1.52 4 -5 6 3.97 1.23 4 5 7 19.69 3.38 4 5 7 14.69 3.18 4 -5 7 19.98 3.20 4 -5 7 15.38 2.77 4 5 8 14.77 3.03 4 -5 8 12.43 2.47 4 5 8 11.69 2.61 4 -5 8 8.45 2.16 4 5 9 20.57 3.28 4 -5 9 22.87 3.32 4 -5 9 18.23 3.09 4 -5 10 34.24 4.36 4 5 10 27.49 4.14 4 5 10 32.66 4.42 4 -5 11 4.55 1.68 4 5 11 2.18 1.28 4 5 11 6.38 2.48 4 5 12 47.79 5.69 4 5 12 54.48 5.74 4 -5 12 51.04 5.27 4 5 13 38.93 5.34 4 5 13 45.58 5.50 4 -5 13 43.65 4.86 4 5 14 2.81 2.27 4 -5 14 0.63 0.99 4 5 14 6.52 0.97 4 -5 15 57.01 5.81 4 5 15 57.58 6.40 4 5 15 60.20 6.38 4 5 16 35.10 4.99 4 5 16 35.24 4.98 -4 5 16 38.69 5.27 -4 5 17 43.41 5.70 4 5 17 37.23 5.35 4 5 17 35.80 5.42 4 5 18 9.36 3.16 4 5 18 5.52 2.19 -4 5 18 6.48 2.81 4 5 19 3.37 1.47 4 5 19 2.01 1.24 -4 5 19 5.23 2.04 -4 5 20 4.61 2.49 4 5 20 4.90 1.84 4 5 21 -1.31 1.63 -4 5 21 -0.40 1.62 -4 5 22 5.99 2.36 4 5 22 5.00 1.57 -4 5 22 3.16 1.53 -4 5 23 0.46 2.23 4 5 23 5.84 2.81 4 5 24 8.53 3.22 4 5 25 -1.67 2.43 4 5 26 -0.66 2.41 4 5 27 4.18 1.87 -4 -6 -26 4.77 1.80 4 -6 -26 9.88 3.55 -4 -6 -25 2.98 1.26 4 -6 -25 1.91 2.43 -4 -6 -24 3.27 2.34 4 -6 -24 3.90 1.99 4 -6 -23 9.52 2.82 -4 -6 -23 9.73 2.92 4 -6 -22 10.12 3.16 -4 -6 -22 5.47 2.17 4 -6 -21 30.45 5.18 -4 -6 -21 30.19 5.45 -4 -6 -20 62.60 7.46 4 -6 -20 58.41 6.83 4 -6 -19 3.85 2.34 -4 -6 -19 1.79 1.36 -4 -6 -18 2.08 2.15 4 -6 -18 3.81 2.07 4 -6 -18 1.40 0.89 4 -6 -17 26.22 4.51 -4 -6 -17 33.40 5.51 4 -6 -17 34.73 5.54 4 -6 -16 10.99 3.35 4 -6 -16 8.46 2.55 -4 -6 -16 7.32 2.80 4 -6 -15 194.29 12.30 4 -6 -15 209.07 12.66 -4 -6 -15 198.06 12.20 4 6 -15 202.15 12.01 4 6 -14 55.05 6.25 4 -6 -14 46.56 6.07 -4 -6 -14 45.05 5.92 4 -6 -14 49.27 6.25 4 -6 -13 3.41 2.43 -4 -6 -13 13.83 3.31 4 -6 -13 5.16 1.84 4 6 -13 10.17 2.40 4 -6 -12 16.90 3.50 4 6 -12 7.67 2.52 -4 -6 -12 15.82 3.28 4 -6 -12 19.50 3.98 4 6 -11 247.03 12.73 -4 6 -11 191.06 10.85 -4 -6 -11 243.46 12.65 4 -6 -11 215.24 12.57 4 -6 -11 206.51 12.10 -4 -6 -10 37.99 5.03 4 -6 -10 40.01 5.46 4 6 -10 41.43 5.35 -4 6 -10 42.68 5.15 4 -6 -10 46.27 5.54 4 6 -9 94.49 7.84 -4 6 -9 89.30 7.33 -4 -6 -9 92.72 7.35 4 -6 -9 92.97 8.12 4 -6 -9 99.78 8.00 -4 6 -8 23.85 3.75 -4 -6 -8 22.28 3.36 4 6 -8 26.44 4.07 4 6 -8 25.70 3.68 4 -6 -8 18.19 3.86 4 -6 -8 19.51 3.71 4 6 -7 2.89 1.68 -4 -6 -7 8.29 2.18 -4 6 -7 6.68 2.26 4 6 -7 7.75 2.10 4 -6 -7 8.27 1.68 4 -6 -7 5.76 2.39 4 6 -6 80.63 7.17 4 6 -6 93.37 6.77 -4 6 -6 87.62 7.22 -4 -6 -6 82.05 6.39 4 -6 -6 72.55 6.59 4 -6 -6 96.44 8.01 4 6 -5 139.76 9.47 4 6 -5 132.16 8.07 -4 -6 -5 133.47 7.81 -4 6 -5 145.28 9.26 4 -6 -5 134.30 9.48 4 -6 -5 129.41 8.74 -4 6 -4 5.58 1.68 4 6 -4 2.97 1.60 -4 -6 -4 2.52 1.07 4 6 -4 3.73 1.29 4 -6 -4 3.73 2.06 4 -6 -4 7.16 2.94 -4 6 -3 69.67 6.53 4 6 -3 67.39 6.39 4 6 -3 75.46 6.23 4 -6 -3 71.23 6.22 4 -6 -3 74.29 6.90 4 6 -2 11.18 2.42 -4 6 -2 12.74 2.68 4 -6 -2 8.49 2.25 4 6 -2 10.45 2.59 4 -6 -2 10.40 2.85 4 -6 -1 76.36 6.30 -4 6 -1 81.13 7.13 4 6 -1 83.13 7.22 4 -6 -1 96.26 7.62 4 6 -1 91.18 7.08 4 -6 0 97.83 7.06 4 6 0 115.86 8.42 4 6 0 90.33 7.14 -4 6 0 100.70 7.88 4 -6 0 117.94 8.50 4 6 1 97.93 7.95 -4 6 1 90.58 7.53 4 6 1 82.54 6.88 4 -6 1 76.95 6.11 4 -6 1 78.38 6.95 4 -6 2 12.11 2.77 4 6 2 10.40 2.67 4 -6 2 8.79 2.32 4 6 2 11.52 2.48 -4 6 2 14.90 3.35 4 6 3 78.49 7.01 -4 6 3 59.00 6.17 4 6 3 80.56 7.02 4 -6 3 61.65 5.66 4 -6 3 71.33 6.70 4 -6 4 5.38 1.80 4 -6 4 2.81 1.65 4 6 4 4.20 1.49 -4 6 4 4.60 1.97 4 6 4 2.25 1.58 4 6 5 146.38 9.72 4 6 5 156.19 9.68 -4 6 5 148.60 10.05 4 -6 5 143.46 8.35 4 -6 5 142.99 9.03 4 6 6 98.58 8.02 4 -6 6 84.82 7.14 4 6 6 83.83 7.73 -4 6 6 96.74 7.95 4 -6 6 79.08 6.39 4 -6 7 6.70 2.34 4 6 7 8.88 2.70 4 6 7 3.99 1.81 -4 6 7 7.90 2.64 4 -6 7 3.79 1.20 4 6 8 21.49 3.81 4 6 8 22.61 3.80 -4 6 8 22.41 3.85 4 -6 8 16.75 2.92 4 -6 8 23.40 3.90 -4 6 9 93.87 8.05 4 6 9 96.54 8.11 4 6 9 101.86 8.35 4 -6 9 84.38 6.71 4 -6 9 97.19 7.77 4 -6 10 46.50 5.05 4 -6 10 40.07 4.88 4 6 10 36.28 5.04 4 6 10 45.29 5.47 -4 6 10 39.12 5.48 4 6 11 233.95 13.05 4 6 11 225.40 12.63 -4 6 11 222.01 12.82 4 -6 11 213.16 10.83 4 -6 11 213.06 11.52 4 6 12 14.68 3.68 4 -6 12 12.92 2.79 4 -6 12 21.23 3.70 4 6 12 11.70 2.40 -4 6 12 19.75 3.94 4 -6 13 7.20 2.14 4 6 13 8.33 2.29 -4 6 13 7.08 2.69 4 6 13 10.15 3.15 4 6 14 38.90 5.70 4 6 14 47.26 5.98 -4 6 14 42.36 5.83 4 -6 14 46.96 5.73 4 6 15 199.26 12.36 -4 6 15 174.98 11.83 4 6 15 192.07 12.29 4 6 16 8.57 2.64 4 6 16 8.41 2.38 -4 6 16 7.36 1.98 4 6 17 31.42 5.30 4 6 17 21.11 4.40 -4 6 17 34.11 5.53 -4 6 18 3.23 2.49 4 6 18 9.04 3.03 4 6 19 2.13 0.99 4 6 19 0.49 1.45 -4 6 20 63.17 7.90 4 6 20 59.32 7.24 -4 6 21 23.30 4.88 4 6 21 21.94 4.51 4 6 22 4.17 1.72 -4 6 22 1.55 1.30 4 6 23 11.91 3.01 -4 6 23 5.99 2.57 -4 6 23 8.65 3.59 -4 6 24 7.25 3.31 4 6 24 10.86 3.91 4 6 25 -0.24 1.55 4 6 26 2.79 2.09 -4 -7 -24 -0.95 1.83 4 -7 -24 1.05 1.57 -4 -7 -23 1.00 1.52 4 -7 -23 -5.40 3.49 -4 -7 -22 -0.31 1.58 4 -7 -22 -2.27 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2.87 4 7 5 8.31 2.80 -4 7 5 13.72 3.39 4 7 5 9.83 3.30 4 -7 5 8.65 2.27 4 -7 6 11.58 2.46 4 7 6 15.44 3.46 -4 7 6 14.64 3.34 4 7 6 16.38 3.13 4 -7 6 12.24 2.60 4 7 7 1.41 1.07 4 -7 7 -0.50 1.40 4 7 7 1.26 1.72 -4 7 7 1.12 1.43 4 7 8 36.63 5.42 -4 7 8 44.97 5.98 4 -7 8 32.17 4.71 4 7 8 37.10 5.18 4 7 9 3.01 2.26 4 7 9 0.79 1.67 -4 7 9 0.28 1.14 4 -7 9 1.39 1.90 4 7 10 45.60 6.13 -4 7 10 41.89 5.57 4 -7 10 50.42 5.88 4 7 10 43.40 5.78 4 7 11 23.09 4.27 -4 7 11 12.16 3.13 4 7 11 14.10 3.26 4 -7 11 13.40 2.95 4 7 12 4.15 2.43 -4 7 12 2.75 1.80 4 7 12 3.51 1.90 4 -7 12 0.48 1.25 4 7 13 23.38 4.63 4 7 13 18.99 4.04 -4 7 13 17.52 3.95 4 7 14 3.70 2.34 4 7 14 4.98 2.36 -4 7 14 5.31 2.10 4 7 15 6.28 3.16 -4 7 15 5.84 2.41 4 7 15 7.80 2.84 4 7 16 11.11 2.48 4 7 16 4.95 1.99 -4 7 16 5.50 2.68 4 7 17 3.22 2.60 4 7 17 5.33 2.26 -4 7 17 2.85 1.66 4 7 18 10.20 3.57 4 7 18 7.15 3.07 -4 7 18 8.36 3.13 -4 7 19 13.95 3.53 4 7 19 17.19 4.35 4 7 19 18.68 4.34 4 7 20 5.25 2.26 -4 7 20 6.36 2.43 4 7 21 -1.38 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216.79 9.55 5 -2 -6 231.66 9.48 5 2 -6 225.33 9.25 5 -2 -5 56.89 4.69 5 2 -5 54.77 3.52 5 2 -5 54.43 3.52 5 -2 -5 47.64 4.42 5 2 -5 57.18 4.74 5 2 -4 55.25 3.64 5 -2 -4 48.18 4.39 5 2 -4 52.55 3.40 5 2 -4 51.72 4.35 5 -2 -4 48.76 4.22 5 -2 -3 179.55 8.23 5 -2 -3 182.50 8.12 5 2 -3 183.58 6.31 5 2 -3 177.68 7.94 5 2 -3 187.29 6.85 5 2 -2 85.24 5.56 5 -2 -2 87.95 5.65 5 2 -2 82.50 4.64 5 -2 -2 82.53 5.49 5 2 -2 91.71 4.46 5 2 -1 56.99 4.37 5 -2 -1 53.58 4.41 5 2 -1 51.53 3.84 5 -2 -1 50.29 4.23 5 2 0 241.88 8.58 5 -2 0 254.20 9.61 5 -2 0 264.70 9.77 5 2 0 248.40 9.21 5 -2 1 43.68 4.00 5 2 1 48.13 4.03 5 2 1 47.00 3.85 5 -2 1 54.20 4.40 5 2 2 83.99 5.32 5 2 2 87.75 5.44 5 -2 2 84.82 5.43 5 -2 2 89.10 5.73 5 2 3 175.09 7.67 5 -2 3 166.71 7.74 5 2 3 176.81 7.94 5 2 4 52.57 4.18 5 -2 4 47.67 4.23 5 2 4 48.91 4.23 5 2 5 53.42 4.23 5 -2 5 51.42 4.34 5 2 5 50.15 4.41 5 -2 6 213.52 9.07 5 2 6 226.26 8.72 5 2 7 340.61 10.64 5 -2 7 327.82 11.40 5 2 7 326.25 11.84 5 2 8 66.64 4.67 5 2 8 53.14 4.83 5 -2 8 50.47 4.68 5 2 9 4.89 1.46 5 2 9 6.16 1.91 5 -2 9 5.06 1.56 5 2 10 1.02 0.84 5 2 10 0.99 0.74 5 -2 10 0.75 1.12 5 2 11 44.10 3.86 5 -2 11 41.43 4.20 5 2 11 51.16 5.08 5 2 12 14.58 2.17 5 2 12 8.52 2.48 5 -2 12 11.16 2.38 5 2 13 161.82 7.66 5 2 13 143.87 8.89 5 -2 13 157.01 8.64 5 2 14 65.78 4.97 5 2 14 76.70 6.57 5 -2 14 71.48 5.89 5 2 15 347.24 11.23 5 2 15 334.19 14.01 5 -2 15 314.44 12.75 5 2 16 53.00 4.44 5 2 16 55.08 5.80 5 -2 16 54.76 5.47 5 -2 17 25.83 3.74 5 2 17 26.13 4.04 5 2 18 23.29 4.15 5 -2 18 21.42 3.61 5 -2 19 75.66 6.78 5 2 19 79.53 7.38 5 2 20 9.22 2.82 5 2 21 4.78 1.84 5 2 22 1.88 1.92 5 2 23 19.45 4.14 5 2 24 7.93 2.93 5 -3 -29 6.86 3.25 5 -3 -28 9.51 3.31 5 -3 -27 27.57 5.31 5 -3 -26 7.69 1.82 5 -3 -25 60.75 7.33 5 -3 -24 4.58 2.54 5 -3 -23 -1.40 1.94 5 -3 -22 47.33 6.52 5 -3 -21 57.92 6.77 5 -3 -20 29.86 4.82 5 -3 -19 70.29 6.79 5 -3 -19 70.14 7.27 5 -3 -18 15.12 3.31 5 -3 -18 16.19 3.39 5 -3 -17 10.49 2.26 5 -3 -17 8.02 2.50 5 3 -17 14.09 2.81 5 -3 -16 77.93 6.83 5 -3 -16 86.73 7.76 5 3 -16 85.93 6.79 5 3 -15 253.65 10.74 5 -3 -15 304.40 14.54 5 -3 -15 284.89 12.98 5 3 -15 299.85 12.52 5 3 -14 60.30 4.88 5 -3 -14 73.63 6.83 5 -3 -14 65.76 5.99 5 3 -14 65.65 5.81 5 -3 -13 11.80 2.78 5 3 -13 13.93 2.64 5 3 -13 10.27 2.07 5 -3 -13 8.17 2.41 5 3 -12 45.09 3.93 5 -3 -12 44.78 5.25 5 -3 -12 37.80 4.40 5 3 -12 40.34 4.44 -5 3 -11 60.97 3.99 5 3 -11 76.73 4.68 5 -3 -11 73.09 6.19 5 3 -11 73.18 5.91 5 -3 -11 79.50 6.73 5 -3 -10 113.82 7.92 -5 3 -10 123.80 5.81 5 3 -10 108.40 5.32 5 -3 -10 110.40 7.45 5 3 -10 106.07 3.80 5 3 -10 122.67 7.56 5 -3 -9 31.45 4.17 5 3 -9 32.94 2.84 5 -3 -9 31.37 3.89 5 3 -9 31.46 3.80 5 3 -9 31.29 2.31 5 -3 -8 10.33 2.47 5 3 -8 7.60 1.32 5 3 -8 9.64 1.50 5 -3 -8 6.15 1.83 5 3 -8 10.81 2.12 5 -3 -7 80.45 6.29 5 3 -7 81.20 4.27 5 3 -7 80.41 3.90 5 -3 -7 81.20 6.14 5 3 -7 92.44 6.46 5 3 -6 305.28 11.54 5 3 -6 305.34 8.66 5 3 -6 306.66 7.35 5 -3 -6 304.33 11.86 5 -3 -6 314.72 11.98 5 -3 -5 318.19 12.07 5 3 -5 325.98 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9.98 -5 -4 -16 52.87 6.10 5 -4 -16 49.98 5.95 5 -4 -16 41.87 5.19 5 4 -16 48.73 5.41 -5 -4 -15 19.90 3.96 5 -4 -15 15.65 3.43 5 4 -15 20.39 3.42 5 -4 -15 18.31 3.59 5 4 -14 6.31 1.73 5 -4 -14 8.62 2.61 -5 -4 -14 10.47 2.88 5 -4 -14 8.19 2.41 -5 -4 -13 50.10 5.62 5 -4 -13 54.94 5.98 5 -4 -13 52.89 5.76 5 4 -13 53.12 5.28 5 -4 -12 79.10 7.04 5 -4 -12 69.02 6.59 5 4 -12 67.25 5.94 -5 -4 -12 77.90 7.00 -5 4 -11 21.22 2.89 5 -4 -11 17.49 3.32 5 -4 -11 22.40 3.71 5 4 -11 28.44 4.08 5 4 -10 7.45 2.29 -5 4 -10 8.05 1.80 5 -4 -10 7.74 2.38 5 -4 -10 8.57 2.57 5 4 -9 78.43 4.44 -5 4 -9 68.86 5.20 5 -4 -9 76.27 6.52 5 4 -9 74.52 6.23 5 -4 -9 70.07 6.37 -5 4 -8 14.85 2.42 5 4 -8 13.38 2.76 5 -4 -8 16.04 2.84 5 -4 -8 20.89 3.54 5 4 -7 42.26 4.78 5 -4 -7 40.20 4.59 -5 4 -7 34.87 3.81 5 4 -7 40.48 3.50 5 -4 -7 33.37 4.06 5 4 -6 129.87 6.40 5 4 -6 119.03 7.83 5 -4 -6 131.41 8.18 5 -4 -6 126.61 8.18 5 4 -5 49.08 5.03 5 4 -5 44.02 1.91 5 -4 -5 55.70 5.40 5 4 -5 56.81 4.38 5 -4 -5 46.81 4.95 5 -4 -4 46.29 4.80 5 4 -4 47.81 2.37 5 4 -4 48.54 4.19 5 -4 -4 57.27 5.42 5 4 -3 4.61 1.45 5 -4 -3 6.66 1.92 5 4 -3 2.59 1.19 5 -4 -3 6.22 1.82 5 4 -3 4.97 0.84 5 4 -2 16.21 2.85 5 -4 -2 19.95 3.19 5 4 -2 18.21 2.78 5 -4 -2 16.84 2.74 5 4 -1 4.29 1.54 5 -4 -1 6.07 1.98 5 4 -1 6.98 1.94 5 -4 -1 4.28 1.30 5 -4 0 73.82 6.06 5 4 0 70.11 5.92 5 -4 0 79.63 5.91 5 4 0 81.89 5.76 5 -4 1 3.12 1.22 5 4 1 6.96 2.12 5 4 1 3.78 1.07 5 -4 1 4.97 1.42 5 4 2 17.90 3.11 5 -4 2 15.01 2.90 5 -4 2 18.70 2.73 5 4 2 15.02 2.67 5 4 3 4.21 1.56 5 4 3 8.06 2.08 5 -4 3 9.47 2.59 5 -4 3 2.84 1.36 5 4 4 46.18 4.95 5 -4 4 58.63 4.92 5 4 4 55.58 5.19 5 -4 4 56.99 5.29 5 -4 5 52.57 5.03 5 4 5 44.32 4.79 5 -4 5 41.70 4.35 5 4 5 46.99 4.80 5 -4 6 119.38 7.69 5 4 6 139.15 8.30 5 -4 6 122.86 7.51 5 4 6 118.05 7.92 5 4 7 43.59 4.71 5 -4 7 37.28 4.28 5 4 7 35.41 4.44 5 -4 8 19.38 3.25 5 4 8 23.93 3.63 5 4 8 19.77 3.36 5 -4 9 77.93 6.35 5 4 9 75.63 6.35 5 4 9 65.97 6.17 5 4 10 7.65 2.50 5 4 10 6.56 1.85 5 -4 10 3.85 1.52 5 -4 11 28.27 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5 -5 -4 5.25 1.73 5 5 -3 20.41 3.58 -5 5 -3 28.66 4.02 5 5 -3 26.65 3.44 5 -5 -3 24.15 3.71 5 -5 -3 20.53 3.45 5 5 -2 20.78 3.14 5 5 -2 21.26 3.38 5 -5 -2 27.36 3.82 5 -5 -2 19.28 3.27 5 5 -1 41.69 4.40 5 5 -1 43.98 4.99 5 -5 -1 39.20 5.03 5 -5 -1 42.99 4.65 5 5 0 113.92 7.60 5 -5 0 113.84 8.11 5 5 0 124.41 8.43 5 -5 0 107.19 7.31 5 5 1 41.27 4.50 5 5 1 39.72 4.52 5 -5 1 41.59 4.62 5 -5 1 36.15 4.46 5 5 2 17.46 3.06 5 -5 2 21.69 3.60 5 5 2 22.62 3.46 5 -5 2 21.40 3.28 5 5 3 31.03 4.16 5 5 3 28.73 3.69 5 -5 3 28.89 3.73 5 -5 3 21.00 3.38 5 -5 4 4.32 1.72 5 5 4 1.54 1.09 5 5 4 4.35 1.83 5 -5 4 4.70 1.92 5 -5 5 97.08 7.53 5 5 5 86.58 7.09 5 5 5 85.03 7.04 5 -5 5 94.13 6.83 5 5 6 164.68 9.91 5 5 6 167.72 9.95 5 -5 6 162.43 8.97 5 -5 6 163.90 9.63 5 5 7 13.59 3.06 5 5 7 13.88 2.75 5 -5 7 13.15 2.42 5 -5 7 15.61 2.99 5 -5 8 9.47 2.23 5 5 8 15.42 3.15 5 -5 8 15.09 2.65 5 5 8 10.95 2.51 5 5 9 69.98 6.38 5 5 9 62.61 6.22 5 -5 9 61.61 5.77 5 -5 9 56.23 5.53 5 5 10 30.36 4.49 5 -5 10 19.84 3.37 5 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6.35 2.98 5 -6 -16 3.90 1.19 5 6 -15 20.32 4.15 -5 -6 -15 16.33 3.65 5 -6 -15 12.89 3.40 5 -6 -15 22.07 4.28 5 6 -14 5.83 2.55 -5 -6 -14 1.93 1.30 5 -6 -14 3.40 1.82 5 -6 -14 6.85 2.67 5 -6 -13 9.79 2.91 5 6 -13 8.08 2.72 -5 -6 -13 10.04 2.52 5 -6 -13 5.69 2.18 5 6 -12 28.62 4.33 5 -6 -12 40.01 5.86 -5 -6 -12 26.46 4.40 5 -6 -12 30.85 4.78 5 6 -11 5.30 2.32 -5 -6 -11 11.01 2.92 5 -6 -11 9.52 3.39 5 -6 -11 6.24 2.59 5 6 -10 3.81 1.73 -5 -6 -10 7.77 2.41 -5 6 -10 6.96 2.38 5 -6 -10 8.72 2.32 5 -6 -10 3.78 1.73 5 6 -9 25.76 4.01 5 -6 -9 26.60 4.59 -5 6 -9 21.60 3.76 5 -6 -9 18.80 3.57 5 6 -8 20.40 3.56 5 -6 -8 15.58 3.23 -5 6 -8 18.87 3.54 5 -6 -8 17.86 3.88 5 6 -7 39.25 5.09 5 6 -7 34.44 4.11 -5 6 -7 41.61 5.04 5 -6 -7 45.92 5.70 5 -6 -7 44.09 5.66 5 6 -6 2.09 1.43 5 6 -6 3.73 1.75 5 -6 -6 2.54 1.65 -5 6 -6 3.08 1.47 5 -6 -6 3.63 2.17 5 6 -5 9.31 2.81 5 -6 -5 2.42 1.83 5 -6 -5 8.25 2.80 5 6 -5 6.04 1.65 -5 6 -5 4.19 2.19 5 6 -4 41.64 4.57 -5 6 -4 48.67 5.50 5 -6 -4 52.21 6.03 5 6 -4 48.53 5.64 5 -6 -4 45.79 5.37 5 6 -3 12.93 2.95 -5 6 -3 13.96 3.22 5 6 -3 11.40 2.64 5 -6 -3 10.77 2.53 5 -6 -3 13.38 2.91 5 6 -2 35.59 4.83 5 6 -2 34.73 4.23 5 -6 -2 33.79 4.37 -5 6 -2 29.12 4.35 5 -6 -2 33.73 5.03 5 6 -1 34.06 4.66 5 6 -1 27.34 4.01 -5 6 -1 33.67 4.59 5 -6 -1 28.37 4.36 5 -6 -1 25.71 3.73 5 6 0 24.02 3.97 5 6 0 26.72 3.80 5 -6 0 30.00 4.14 -5 6 0 30.65 4.35 5 -6 0 29.60 4.60 5 6 1 29.25 4.37 5 6 1 35.65 4.63 -5 6 1 30.60 4.55 5 -6 1 25.68 3.90 5 -6 1 25.47 4.16 5 6 2 36.62 5.05 5 6 2 34.63 4.61 -5 6 2 35.15 4.91 5 -6 2 36.47 4.35 5 -6 2 39.35 4.88 5 6 3 17.96 3.38 5 6 3 15.85 3.06 -5 6 3 16.38 3.27 5 -6 3 7.99 2.13 5 -6 3 15.96 3.29 5 6 4 45.72 5.35 5 6 4 54.74 5.87 -5 6 4 49.49 5.74 5 -6 4 53.54 5.44 5 -6 4 53.19 5.99 5 -6 5 2.72 1.11 5 6 5 6.78 2.60 5 -6 5 7.96 2.18 5 6 5 7.71 2.31 -5 6 5 6.79 2.63 5 -6 6 2.13 1.54 5 6 6 2.08 1.71 5 -6 6 1.62 1.09 5 6 6 4.46 2.04 5 6 7 30.58 4.28 5 6 7 41.98 5.40 5 -6 7 35.68 4.37 5 -6 7 47.82 5.65 5 6 8 16.94 3.26 5 -6 8 18.49 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21.03 3.93 5 7 -6 25.40 4.00 5 -7 -6 23.14 4.15 5 7 -5 49.43 5.45 -5 7 -5 40.89 5.57 5 -7 -5 53.42 5.95 5 -7 -5 40.11 5.49 5 7 -5 53.84 6.33 -5 7 -4 13.77 3.34 5 7 -4 22.63 4.57 5 -7 -4 12.61 3.35 5 -7 -4 14.28 3.18 5 7 -4 16.97 3.36 5 7 -3 2.95 2.10 5 -7 -3 2.38 1.64 5 7 -3 5.87 1.96 -5 7 -3 5.35 2.52 5 -7 -3 1.88 1.42 5 7 -2 17.81 3.59 -5 7 -2 14.28 3.51 5 -7 -2 19.47 3.79 5 -7 -2 23.68 4.23 5 7 -2 15.02 3.12 5 7 -1 41.33 5.65 5 7 -1 46.94 5.54 -5 7 -1 50.08 6.18 5 -7 -1 48.69 5.90 5 -7 -1 47.25 5.28 5 7 0 9.46 3.06 5 7 0 4.37 2.58 5 -7 0 6.82 2.55 5 -7 0 1.28 1.61 -5 7 0 4.31 2.67 5 7 1 58.27 6.58 5 7 1 44.73 5.49 -5 7 1 46.73 5.73 5 -7 1 45.10 5.47 5 -7 1 47.30 5.98 5 7 2 17.06 3.28 5 7 2 21.08 3.95 -5 7 2 23.32 4.17 5 -7 2 18.41 3.60 5 -7 2 18.97 3.40 5 -7 3 4.13 2.01 5 7 3 5.77 2.46 -5 7 3 5.95 2.26 5 7 3 4.90 2.56 5 -7 3 0.85 1.13 5 -7 4 12.01 3.41 5 7 4 10.14 3.11 5 7 4 14.78 3.29 5 -7 4 15.89 2.77 -5 7 4 16.88 4.04 5 7 5 56.31 6.43 5 7 5 62.61 6.90 -5 7 5 46.67 5.80 5 -7 5 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6 4 -5 293.69 12.43 6 4 -5 288.53 10.47 6 -4 -5 294.74 12.67 6 4 -5 283.50 6.96 6 -4 -5 278.62 12.49 6 -4 -4 0.54 0.63 6 4 -4 1.47 1.62 6 4 -4 1.87 1.20 6 4 -4 1.20 0.57 6 -4 -4 0.06 0.75 6 4 -3 99.12 7.29 6 -4 -3 111.23 7.68 6 4 -3 113.70 5.03 6 -4 -3 117.06 8.01 6 4 -2 83.28 6.73 6 -4 -2 61.48 5.78 6 -4 -2 71.28 6.04 6 4 -2 66.00 5.37 6 4 -1 45.77 4.73 6 4 -1 41.93 4.20 6 -4 -1 42.57 4.69 6 -4 -1 51.04 5.32 6 4 0 69.82 5.94 6 -4 0 71.66 5.91 6 4 0 61.28 5.23 6 4 1 46.46 4.89 6 4 1 50.75 4.98 6 -4 1 54.67 5.13 6 -4 1 55.02 5.33 6 4 2 63.77 5.89 6 -4 2 68.47 5.78 6 4 2 79.68 6.15 6 -4 2 68.25 6.10 6 -4 3 115.98 7.71 6 4 3 111.75 7.75 6 4 3 122.18 7.90 6 -4 3 115.35 7.57 6 4 4 0.96 1.06 6 -4 4 -0.26 0.74 6 -4 4 1.33 0.75 6 4 4 0.66 1.17 6 -4 5 273.06 12.21 6 -4 5 278.53 11.99 6 4 5 265.47 11.91 6 4 5 281.15 12.21 6 -4 6 43.13 4.86 6 4 6 40.37 4.61 6 4 6 35.03 4.30 6 -4 6 42.31 4.64 6 -4 7 16.47 2.99 6 4 7 14.31 2.80 6 4 7 12.03 2.78 6 -4 8 252.17 11.82 6 4 8 251.66 11.62 6 4 8 256.07 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6 -5 -16 3.57 2.09 6 5 -15 7.30 2.57 6 -5 -15 4.77 2.02 6 -5 -15 4.79 2.05 6 -5 -14 5.72 2.54 6 5 -14 6.14 2.43 6 -5 -14 7.98 2.58 6 -5 -13 25.56 4.81 6 5 -13 35.83 4.72 6 5 -12 5.48 1.84 6 -5 -12 7.58 2.86 6 -5 -12 5.51 2.26 6 5 -11 3.22 2.13 6 -5 -11 6.89 2.64 6 -5 -11 3.02 1.84 6 5 -10 4.31 1.73 -6 5 -10 1.89 1.21 6 -5 -10 2.73 1.94 6 -5 -10 4.82 1.94 6 5 -9 15.71 3.26 6 -5 -9 14.11 3.21 -6 5 -9 14.93 3.13 6 -5 -9 13.47 2.97 -6 5 -8 12.44 2.58 6 5 -8 10.53 2.24 6 -5 -8 17.50 3.67 6 5 -8 12.02 2.67 6 -5 -8 13.52 3.05 6 5 -7 8.53 2.57 -6 5 -7 7.64 1.94 6 5 -7 7.21 1.98 6 -5 -7 8.99 2.51 6 -5 -7 7.58 2.18 6 -5 -6 6.85 2.23 6 5 -6 5.18 1.98 6 5 -6 4.74 1.24 -6 5 -6 0.99 0.82 6 -5 -6 2.54 1.00 6 5 -5 16.29 2.97 6 5 -5 20.14 3.05 6 -5 -5 13.71 2.98 6 -5 -5 22.14 3.76 6 5 -4 37.50 4.70 6 -5 -4 41.95 5.09 6 5 -4 37.06 4.25 6 -5 -4 34.13 4.45 6 5 -3 43.81 5.35 6 -5 -3 53.05 5.59 6 5 -3 41.23 4.48 6 -5 -3 41.15 4.89 6 5 -2 31.21 4.33 6 -5 -2 30.35 4.14 6 5 -2 32.50 4.08 6 -5 -2 26.83 4.08 6 5 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5 15 3.38 1.41 6 5 16 3.44 1.16 6 -5 16 7.76 2.57 6 5 16 4.21 2.75 6 5 17 4.70 2.52 6 5 17 8.97 2.86 6 5 18 2.34 1.82 6 5 18 1.20 1.80 6 5 19 1.95 2.25 6 5 20 0.21 1.14 6 5 21 6.32 2.91 6 5 22 10.53 3.14 -6 5 22 6.30 2.39 6 5 23 -2.85 2.24 -6 5 23 1.10 2.42 6 5 24 1.07 1.34 6 5 25 4.43 2.50 6 5 26 2.94 2.08 6 -6 -25 3.70 2.29 6 -6 -24 18.99 4.65 6 -6 -23 7.56 2.81 6 -6 -22 37.23 6.17 6 -6 -21 11.77 3.64 6 -6 -21 9.26 3.46 6 -6 -20 3.83 2.44 6 -6 -20 2.61 2.58 6 -6 -19 5.55 2.96 6 -6 -19 6.05 2.84 6 -6 -18 78.49 8.52 6 -6 -18 71.49 7.90 6 -6 -17 9.03 3.27 6 -6 -17 12.59 3.51 6 -6 -16 -0.99 1.40 6 6 -16 0.64 1.76 6 -6 -16 -0.08 1.20 6 6 -15 9.70 3.07 6 -6 -15 4.32 2.01 6 -6 -15 2.66 2.28 6 6 -14 1.54 1.10 6 -6 -14 1.48 1.31 6 -6 -14 -0.17 1.50 6 6 -13 11.45 2.79 6 -6 -13 7.68 2.69 6 -6 -13 7.69 2.69 6 6 -12 84.83 7.86 6 -6 -12 67.08 7.08 6 -6 -12 82.59 7.93 6 6 -11 15.41 3.40 6 -6 -11 18.58 3.90 6 -6 -11 10.08 3.34 6 6 -10 3.03 1.01 6 -6 -10 1.23 1.06 -6 6 -10 1.76 1.78 6 -6 -10 2.22 1.32 -6 6 -9 17.72 3.32 6 6 -9 16.10 3.66 6 -6 -9 14.77 3.67 6 -6 -9 13.67 3.30 6 6 -8 180.90 11.21 -6 6 -8 165.47 10.26 6 -6 -8 183.35 11.31 6 -6 -8 188.55 11.79 -6 6 -7 24.33 4.21 6 -6 -7 34.05 5.26 6 6 -7 29.30 4.34 6 6 -7 27.15 3.96 6 -6 -7 26.23 4.49 6 6 -6 0.95 1.51 6 -6 -6 -0.08 1.32 -6 6 -6 0.28 1.30 6 6 -6 -0.07 1.08 6 -6 -6 0.31 1.13 6 6 -5 24.70 4.14 -6 6 -5 23.91 3.90 6 -6 -5 21.94 3.86 6 -6 -5 22.88 4.08 6 6 -5 25.92 3.70 6 6 -4 97.85 8.21 6 6 -4 88.42 7.03 -6 6 -4 92.27 7.64 6 -6 -4 86.21 7.72 6 -6 -4 90.16 7.45 6 -6 -3 3.79 2.43 6 6 -3 2.32 1.12 6 6 -3 0.65 0.82 6 -6 -3 1.95 1.23 -6 6 -3 2.53 1.78 6 -6 -2 129.90 9.00 6 6 -2 156.19 10.32 -6 6 -2 168.37 10.63 6 -6 -2 168.87 10.68 6 6 -2 165.94 9.80 -6 6 -1 32.91 4.66 6 6 -1 36.00 5.18 6 -6 -1 30.61 4.44 6 -6 -1 31.80 4.81 6 6 -1 24.25 3.82 6 -6 0 -1.05 1.14 6 6 0 3.32 1.31 6 6 0 4.72 1.77 6 -6 0 2.33 1.49 6 6 1 29.87 4.51 6 -6 1 32.12 4.34 6 -6 1 27.86 4.65 6 6 1 24.16 4.10 6 -6 2 145.23 9.39 6 6 2 163.46 10.38 6 -6 2 160.57 10.32 6 6 2 170.79 10.25 6 -6 3 1.30 1.84 6 6 3 0.63 1.08 6 6 3 2.46 1.85 6 -6 3 1.64 1.13 6 6 4 90.99 7.80 6 6 4 98.97 8.35 6 -6 4 87.63 7.41 6 -6 4 95.73 8.14 6 6 5 23.34 4.14 6 -6 5 27.13 4.09 6 -6 5 31.83 4.49 6 6 5 27.94 4.35 6 -6 6 0.76 1.14 6 6 6 0.53 1.08 6 6 6 0.89 1.78 6 -6 6 -0.04 0.66 6 6 7 27.61 4.43 6 -6 7 22.47 3.66 6 -6 7 19.15 3.91 6 6 7 30.52 4.59 6 -6 8 163.83 10.35 6 -6 8 189.44 11.18 6 6 8 173.06 11.18 6 -6 9 13.86 3.38 6 6 9 16.42 3.61 6 6 9 12.41 3.23 6 -6 9 12.43 2.80 6 -6 10 0.52 1.15 6 -6 10 1.84 0.74 6 6 10 2.08 1.82 6 6 10 2.44 1.95 6 -6 11 19.17 3.88 6 6 11 15.35 3.36 6 6 11 13.09 3.12 6 -6 11 14.70 3.23 6 6 12 83.59 8.11 6 -6 12 54.54 6.27 6 6 12 73.42 7.56 6 -6 12 77.12 7.39 6 6 13 4.35 2.28 6 -6 13 5.15 2.36 6 6 13 4.86 1.63 6 -6 13 6.62 2.39 6 6 14 0.65 0.78 6 -6 14 1.22 1.92 6 6 14 -0.01 1.91 6 6 15 3.81 1.89 6 -6 15 2.49 1.42 6 6 15 2.85 1.96 6 6 16 -0.19 1.16 6 6 16 1.48 0.80 6 6 17 8.35 2.83 -6 6 17 7.80 3.14 6 6 17 5.60 2.67 6 6 18 69.80 8.23 -6 6 18 69.20 7.90 6 6 18 67.52 7.62 6 6 19 7.74 2.81 -6 6 19 7.38 2.53 -6 6 20 1.37 2.50 6 6 20 1.50 2.38 -6 6 21 17.96 4.53 6 6 21 11.75 2.95 -6 6 22 27.19 5.52 6 6 22 39.34 6.18 -6 6 23 4.30 3.77 6 6 23 1.81 1.51 6 6 24 8.49 2.98 6 6 25 5.74 1.74 6 -7 -23 0.66 1.90 6 -7 -22 -2.93 1.89 6 -7 -21 10.49 2.72 6 -7 -21 13.18 4.05 6 -7 -20 6.73 2.75 6 -7 -20 6.34 2.50 6 -7 -19 3.37 2.03 6 -7 -19 5.80 3.30 6 -7 -18 13.95 3.49 6 -7 -18 14.33 3.91 6 -7 -17 3.88 1.85 6 -7 -17 -1.45 1.70 6 -7 -16 1.46 2.30 6 -7 -16 3.45 2.33 6 -7 -15 8.96 2.86 6 7 -15 7.71 2.93 6 -7 -15 6.75 2.36 6 7 -14 6.27 2.59 6 -7 -14 8.16 3.00 6 -7 -14 5.37 2.49 6 7 -13 21.49 4.56 6 -7 -13 25.32 4.99 6 -7 -13 14.73 3.84 6 7 -12 6.97 3.40 6 -7 -12 4.35 1.77 6 -7 -12 5.26 2.67 6 7 -11 5.06 2.35 6 -7 -11 0.14 2.01 6 -7 -11 1.82 1.24 6 7 -10 19.50 4.13 6 -7 -10 13.31 3.63 6 -7 -10 15.52 4.11 6 7 -9 1.77 1.77 6 -7 -9 2.39 2.13 6 -7 -9 3.39 0.91 -6 7 -9 3.00 2.48 -6 7 -8 30.11 4.89 6 -7 -8 28.02 4.83 6 7 -8 25.74 4.88 6 -7 -8 35.01 5.36 6 7 -7 5.71 2.53 -6 7 -7 7.74 2.70 6 -7 -7 5.87 2.43 6 -7 -7 8.11 3.04 6 7 -6 -1.03 1.35 6 7 -6 2.56 1.85 -6 7 -6 4.04 1.89 6 -7 -6 1.96 1.77 6 -7 -6 2.19 1.93 6 7 -5 8.71 2.16 6 7 -5 10.34 2.99 -6 7 -5 16.48 3.60 6 -7 -5 18.24 3.62 6 -7 -5 8.79 3.18 6 7 -4 44.70 5.95 -6 7 -4 42.29 5.71 6 -7 -4 52.74 6.14 6 -7 -4 51.80 6.35 6 7 -4 43.85 5.36 6 7 -3 20.10 4.25 6 7 -3 19.72 3.34 6 -7 -3 18.29 3.62 -6 7 -3 18.70 3.83 6 -7 -3 17.85 3.97 6 7 -2 69.47 7.26 6 -7 -2 60.65 6.43 -6 7 -2 63.28 6.87 6 -7 -2 62.03 6.81 6 7 -2 58.59 6.30 6 7 -1 8.25 2.38 6 7 -1 7.62 2.32 -6 7 -1 7.60 2.04 6 -7 -1 7.16 2.59 6 -7 -1 1.84 0.89 6 7 0 0.90 1.46 -6 7 0 -0.75 0.71 6 -7 0 0.55 0.94 6 -7 0 0.39 0.92 6 -7 1 3.31 1.53 6 7 1 4.22 2.32 6 7 1 0.96 1.00 6 -7 1 6.58 2.47 -6 7 1 7.33 2.81 6 7 2 69.89 6.90 6 7 2 70.89 7.30 -6 7 2 53.98 6.52 6 -7 2 54.83 6.11 6 -7 2 62.42 7.05 6 -7 3 19.88 4.07 -6 7 3 24.42 4.29 6 7 3 15.97 3.08 6 7 3 17.58 3.93 6 -7 3 21.94 3.68 6 7 4 45.52 5.69 6 7 4 51.54 6.46 -6 7 4 44.18 5.83 6 -7 4 39.47 5.18 6 -7 4 47.38 5.93 6 -7 5 7.33 2.89 6 7 5 12.82 3.09 6 7 5 12.64 3.22 -6 7 5 6.48 2.03 6 -7 5 9.12 2.61 6 -7 6 3.44 1.53 6 7 6 3.61 1.68 6 7 6 0.31 1.70 -6 7 6 3.27 1.83 6 -7 6 1.85 1.90 6 -7 7 3.27 1.40 6 7 7 7.18 2.75 6 7 7 8.99 3.00 6 -7 7 5.20 1.95 -6 7 7 7.77 3.05 6 7 8 38.48 5.20 -6 7 8 33.49 5.16 6 -7 8 33.92 5.00 6 -7 8 31.68 5.03 6 7 8 46.06 5.94 6 -7 9 3.30 2.46 6 7 9 4.00 2.79 -6 7 9 2.13 1.53 6 7 9 1.41 1.15 6 -7 9 2.71 1.08 6 -7 10 10.33 3.70 6 7 10 13.79 3.55 6 7 10 10.83 3.00 -6 7 10 20.13 4.11 6 -7 11 5.30 2.28 6 7 11 3.67 2.29 6 7 11 3.20 2.24 -6 7 11 4.62 2.49 6 -7 12 4.04 2.05 6 7 12 5.28 2.33 6 7 12 5.97 1.99 -6 7 12 4.12 2.25 6 -7 13 12.33 3.43 6 7 13 14.50 3.48 6 7 13 15.89 4.01 -6 7 13 9.60 2.28 -6 7 14 2.51 1.27 6 7 14 6.22 3.04 6 7 14 9.08 3.55 6 7 15 4.31 2.60 6 7 15 4.00 1.33 -6 7 15 4.73 2.54 6 7 16 3.83 2.33 6 7 16 4.89 2.94 -6 7 16 1.98 1.42 6 7 17 3.80 2.20 6 7 17 7.39 3.11 -6 7 17 1.56 2.01 -6 7 18 17.44 3.97 6 7 18 18.15 3.97 6 7 18 9.07 2.81 -6 7 19 9.49 3.38 6 7 19 1.11 0.87 -6 7 20 4.45 2.36 6 7 20 9.32 2.68 -6 7 21 9.40 3.36 6 7 21 13.79 4.21 -6 7 22 3.80 2.14 6 7 22 1.44 1.06 6 7 23 8.39 3.88 -6 7 23 4.39 2.83 6 -8 -21 10.65 3.29 6 -8 -20 0.83 2.00 6 -8 -20 7.33 3.36 6 -8 -19 10.44 4.07 6 -8 -19 14.25 4.12 6 -8 -18 11.86 3.45 6 -8 -18 14.24 4.12 6 -8 -17 8.25 2.86 6 -8 -17 5.18 2.06 6 -8 -16 6.71 3.16 6 -8 -16 3.84 1.91 6 -8 -15 7.38 2.90 6 -8 -15 8.29 2.54 6 8 -14 12.93 3.83 6 -8 -14 9.89 3.56 6 -8 -14 15.94 3.67 6 -8 -13 20.51 4.72 6 8 -13 12.89 3.62 6 -8 -13 17.90 4.46 6 8 -12 29.16 5.35 6 -8 -12 15.49 3.69 6 -8 -12 21.85 4.61 6 8 -11 13.08 3.59 6 -8 -11 9.82 2.84 6 -8 -11 14.03 3.56 6 8 -10 8.14 3.13 6 -8 -10 7.11 2.21 6 -8 -10 5.79 2.64 6 8 -9 9.87 3.05 -6 8 -9 14.28 3.93 6 -8 -9 6.22 2.77 6 -8 -9 7.95 3.41 6 8 -8 42.06 6.07 -6 8 -8 44.92 6.07 6 -8 -8 50.45 6.63 6 -8 -8 44.70 6.10 6 8 -7 18.42 4.31 6 -8 -7 19.01 4.21 6 -8 -7 14.15 3.24 -6 8 -7 16.30 3.87 6 8 -6 10.32 2.88 6 -8 -6 5.35 2.22 -6 8 -6 6.21 2.08 6 -8 -6 8.08 2.20 6 8 -5 14.20 3.71 6 -8 -5 15.68 4.22 -6 8 -5 16.72 4.07 6 -8 -5 24.11 4.51 -6 8 -4 13.96 3.29 6 8 -4 25.09 4.81 6 8 -4 20.62 4.12 6 -8 -4 21.35 4.12 6 -8 -4 21.02 4.29 6 8 -3 2.24 1.64 6 8 -3 3.02 1.70 -6 8 -3 2.49 1.38 6 -8 -3 -0.58 1.14 6 -8 -3 2.28 2.29 6 8 -2 25.92 4.65 -6 8 -2 28.14 4.86 6 -8 -2 31.81 5.09 6 -8 -2 31.56 4.91 6 8 -2 39.09 5.32 6 8 -1 3.68 0.99 6 8 -1 8.95 2.78 -6 8 -1 8.01 2.43 6 -8 -1 8.30 2.99 6 -8 -1 12.25 3.97 6 8 0 -0.58 1.19 -6 8 0 2.93 1.24 6 -8 0 0.68 1.15 6 8 0 1.51 0.68 6 -8 0 0.49 1.17 -6 8 1 12.87 3.54 6 8 1 8.38 2.46 6 -8 1 8.06 2.87 6 8 1 7.16 2.08 6 -8 1 6.25 2.46 6 8 2 43.79 5.77 6 8 2 37.78 5.28 -6 8 2 33.35 5.47 6 -8 2 37.17 5.65 6 -8 2 27.98 5.13 -6 8 3 2.10 1.99 6 8 3 -0.27 1.21 6 8 3 0.17 1.39 6 -8 3 -0.92 1.54 6 -8 3 0.89 0.85 6 8 4 24.59 4.59 6 8 4 24.72 4.17 -6 8 4 22.33 4.42 6 -8 4 21.10 3.86 6 8 5 19.21 4.12 6 8 5 15.16 3.73 -6 8 5 14.39 3.58 6 -8 5 18.31 4.37 6 8 6 9.49 2.33 6 8 6 6.63 2.11 -6 8 6 3.07 2.13 6 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13.48 7 3 -6 365.21 13.83 7 3 -5 42.50 3.68 7 -3 -5 40.25 4.71 7 -3 -5 33.33 4.32 7 3 -5 49.96 5.05 7 3 -5 43.42 3.90 7 3 -4 2.99 1.01 7 -3 -4 2.34 1.75 7 3 -4 3.08 1.29 7 -3 -4 2.00 1.48 7 3 -4 2.90 0.93 7 -3 -3 21.03 3.42 7 3 -3 21.12 2.95 7 3 -3 22.53 2.68 7 -3 -3 14.59 2.88 7 3 -3 18.39 3.04 7 3 -2 614.93 17.68 7 -3 -2 604.35 17.86 7 3 -2 617.27 15.78 7 -3 -2 616.46 17.88 7 3 -2 613.90 13.97 7 3 -1 18.43 3.07 7 -3 -1 15.15 3.03 7 3 -1 20.90 3.03 7 -3 -1 17.77 3.31 7 3 0 1.91 0.66 7 -3 0 2.33 1.23 7 3 0 2.36 1.60 7 -3 0 0.76 0.83 7 3 1 22.45 3.40 7 -3 1 26.27 3.69 7 3 1 24.52 3.41 7 -3 1 21.91 3.42 7 -3 2 585.00 17.53 7 3 2 630.73 17.37 7 3 2 646.80 17.64 7 -3 2 597.00 17.31 7 3 3 21.98 3.20 7 -3 3 24.56 3.48 7 3 3 24.70 3.53 7 -3 3 20.05 3.20 7 3 4 0.60 1.03 7 3 4 0.93 0.95 7 -3 4 2.24 1.17 7 -3 4 0.79 1.26 7 3 5 42.64 4.70 7 -3 5 51.17 5.22 7 3 6 341.37 12.93 7 -3 6 348.96 13.52 7 3 6 358.81 13.72 7 3 7 10.02 2.31 7 3 7 12.61 2.58 7 -3 7 11.70 2.57 7 3 8 562.04 16.71 7 -3 8 542.24 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5.69 2.23 7 4 -1 3.74 1.37 7 -4 -1 8.72 2.20 7 4 -1 7.77 1.90 7 -4 -1 5.36 1.75 7 4 0 -0.81 1.12 7 -4 0 0.55 0.87 7 4 0 0.38 1.25 7 -4 0 1.20 0.76 7 4 1 8.75 2.44 7 -4 1 5.81 2.25 7 4 1 10.18 2.28 7 -4 1 7.97 2.30 7 -4 2 2.20 1.31 7 4 2 2.09 1.27 7 -4 2 0.67 0.53 7 -4 3 37.62 4.83 7 4 3 40.17 4.83 7 -4 3 36.98 4.55 7 -4 4 1.80 1.10 7 4 4 2.72 1.21 7 -4 4 3.40 1.49 7 4 4 4.05 1.46 7 4 5 0.87 1.27 7 -4 5 5.75 2.19 7 -4 5 2.52 1.43 7 4 5 3.66 1.72 7 4 6 24.74 3.55 7 4 6 32.41 4.36 7 -4 6 22.94 3.50 7 -4 6 28.79 4.12 7 4 7 261.58 12.17 7 -4 7 255.30 12.43 7 -4 7 260.25 12.18 7 4 7 276.48 12.81 7 4 8 43.56 4.98 7 -4 8 33.14 4.72 7 4 8 49.60 5.45 7 4 9 4.36 1.60 7 -4 9 1.94 1.53 7 4 9 3.52 1.48 7 4 10 23.10 3.66 7 -4 10 26.33 4.08 7 4 11 121.57 8.42 7 -4 11 96.10 7.68 7 4 11 122.91 9.02 7 4 12 18.66 3.39 7 -4 12 11.86 3.12 7 4 12 14.75 3.48 7 4 13 66.52 6.37 7 -4 13 55.72 6.36 7 4 13 58.83 6.62 7 4 14 56.06 5.82 7 -4 14 51.98 6.23 7 -4 15 28.46 4.45 7 4 15 21.98 3.67 7 4 15 13.91 2.97 7 4 16 4.17 1.76 7 4 16 4.80 1.83 7 -4 16 7.64 2.12 7 4 17 0.74 2.01 7 4 17 2.35 1.58 7 -4 17 3.86 2.22 7 -4 18 33.01 5.17 7 4 18 26.71 4.45 7 4 19 72.60 7.78 7 4 20 0.50 1.30 7 4 21 7.39 2.58 7 4 22 12.93 3.28 7 4 23 -1.84 1.82 7 4 24 0.55 0.96 7 4 25 0.76 1.35 7 4 26 1.76 1.30 7 4 27 6.60 3.08 7 -5 -26 0.61 1.04 7 -5 -25 6.62 2.39 7 -5 -24 22.78 4.89 7 -5 -23 2.27 2.28 7 -5 -22 30.99 5.25 7 -5 -21 6.56 2.66 7 -5 -20 3.71 2.50 7 -5 -20 2.36 1.39 7 -5 -19 19.30 4.48 7 -5 -19 18.65 4.63 7 -5 -18 74.50 8.21 7 -5 -18 71.55 7.95 7 5 -17 23.09 4.33 7 -5 -17 22.99 4.68 7 -5 -17 25.73 4.51 7 5 -16 2.44 1.48 7 -5 -16 2.23 1.20 7 -5 -16 4.84 2.65 7 5 -15 7.46 2.16 7 -5 -15 6.20 2.53 7 -5 -15 2.90 2.14 7 5 -14 1.82 1.84 7 -5 -14 1.86 1.53 7 -5 -14 6.93 2.40 7 5 -13 -0.28 1.33 7 -5 -13 1.99 2.03 7 -5 -13 0.80 1.55 7 -5 -12 113.47 9.22 7 -5 -12 110.71 9.17 7 5 -12 95.57 8.28 7 -5 -11 31.59 5.03 7 -5 -11 19.20 3.68 7 5 -11 25.58 4.10 7 5 -10 5.49 1.97 -7 5 -10 6.76 1.96 7 -5 -10 2.30 1.66 7 -5 -10 5.32 2.14 7 5 -9 10.00 2.63 7 -5 -9 8.49 3.03 -7 5 -9 10.57 2.34 7 -5 -9 13.71 3.26 7 5 -8 131.38 9.31 -7 5 -8 110.81 7.91 7 -5 -8 118.96 8.88 7 -5 -8 115.47 8.97 7 5 -7 29.62 3.61 7 -5 -7 29.85 4.46 7 -5 -7 29.55 4.50 7 -5 -6 5.09 1.91 7 5 -6 6.76 1.89 7 5 -6 5.42 2.14 7 5 -5 18.26 3.49 7 5 -5 17.42 3.05 7 -5 -5 12.89 2.82 7 -5 -5 18.47 3.50 7 5 -4 26.13 4.16 7 5 -4 25.01 3.58 7 -5 -4 24.35 4.05 7 -5 -4 32.60 4.54 7 5 -3 20.01 3.33 7 5 -3 26.60 3.84 7 -5 -3 28.74 4.43 7 -5 -3 25.49 4.13 7 5 -2 160.87 9.22 7 5 -2 173.80 10.37 7 -5 -2 137.04 9.12 7 -5 -2 157.98 10.11 7 -5 -1 8.09 2.57 7 5 -1 7.55 2.26 7 5 -1 7.07 1.89 7 -5 -1 5.45 1.93 7 -5 0 -0.44 1.18 7 -5 0 -1.10 1.26 7 5 0 -0.55 1.19 7 5 0 2.68 1.51 7 -5 1 9.15 2.73 7 5 1 7.64 2.96 7 -5 1 7.84 2.11 7 5 1 11.10 2.60 7 5 2 156.11 9.74 7 -5 2 152.79 9.72 7 5 2 157.70 9.55 7 -5 2 153.78 10.05 7 5 3 26.48 3.86 7 5 3 29.98 4.31 7 -5 3 26.39 3.95 7 -5 3 24.64 3.83 7 5 4 23.64 3.94 7 5 4 23.26 3.91 7 -5 4 23.57 3.76 7 -5 4 30.91 4.49 7 -5 5 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7 -7 -14 11.81 3.28 7 -7 -14 19.05 4.27 7 7 -13 3.89 2.45 7 -7 -13 5.84 2.32 7 -7 -13 4.63 2.21 7 7 -12 59.28 7.36 7 -7 -12 88.36 8.72 7 -7 -12 78.82 8.41 7 7 -11 9.32 2.88 7 -7 -11 4.75 2.48 7 -7 -11 4.83 2.11 7 7 -10 1.94 1.36 7 -7 -10 0.27 1.86 7 -7 -10 0.72 1.54 7 7 -9 2.22 2.03 7 -7 -9 1.69 1.30 -7 7 -9 0.52 1.54 7 -7 -9 4.82 2.22 7 7 -8 120.24 9.57 -7 7 -8 93.33 8.32 7 -7 -8 111.54 9.55 7 -7 -8 123.10 9.76 7 7 -7 8.05 2.83 7 -7 -7 8.27 3.34 -7 7 -7 3.68 2.52 7 -7 -7 5.73 2.40 7 7 -6 13.20 3.02 7 -7 -6 23.33 4.74 -7 7 -6 17.98 3.94 7 -7 -6 16.66 3.93 7 7 -5 13.91 3.31 7 -7 -5 15.74 4.11 -7 7 -5 6.20 2.66 7 7 -5 6.46 1.86 7 -7 -5 12.46 3.17 7 7 -4 37.12 5.23 -7 7 -4 37.31 5.51 7 -7 -4 46.99 5.81 7 7 -4 26.85 4.38 7 -7 -4 35.28 5.50 -7 7 -3 -0.42 0.82 7 7 -3 -0.29 1.03 7 -7 -3 1.88 1.35 7 7 -3 0.58 0.63 7 -7 -3 2.40 1.88 7 7 -2 68.26 7.27 -7 7 -2 57.38 6.79 7 -7 -2 55.40 6.44 7 -7 -2 54.39 6.63 7 7 -2 51.30 5.97 7 -7 -1 12.84 3.29 7 7 -1 9.88 2.93 7 7 -1 9.19 2.75 -7 7 -1 9.33 3.17 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28.53 4.79 8 -6 -12 33.69 5.40 8 6 -12 33.52 5.21 8 -6 -11 68.81 7.44 8 -6 -11 71.63 7.81 8 6 -11 66.97 7.29 8 6 -10 6.14 2.50 8 -6 -10 8.38 2.50 8 -6 -10 14.42 3.77 8 6 -9 36.52 5.04 -8 6 -9 42.14 5.35 8 -6 -9 37.71 5.18 8 -6 -9 36.44 5.33 8 6 -8 18.86 4.16 -8 6 -8 13.93 3.25 8 -6 -8 12.79 3.00 8 -6 -8 14.34 3.59 8 -6 -7 5.20 2.36 8 6 -7 6.65 2.73 -8 6 -7 8.78 2.71 8 -6 -7 5.21 2.32 8 6 -6 65.26 6.94 -8 6 -6 78.90 7.36 8 -6 -6 92.25 8.30 8 -6 -6 84.34 8.09 8 -6 -5 86.28 7.99 8 6 -5 103.27 8.69 8 6 -5 94.78 7.75 8 -6 -5 97.59 8.69 8 -6 -4 5.55 2.04 8 6 -4 9.90 3.27 8 6 -4 7.84 2.19 8 -6 -4 6.69 2.41 8 6 -3 17.64 3.64 8 6 -3 27.47 4.36 8 -6 -3 24.43 4.11 8 -6 -3 31.24 4.99 8 6 -2 27.77 4.35 8 6 -2 41.74 5.30 8 -6 -2 27.99 4.40 8 -6 -2 33.16 4.65 8 6 -1 43.30 5.69 8 -6 -1 48.58 5.80 8 -6 -1 44.60 5.97 8 6 0 53.52 6.53 8 6 0 57.90 6.22 8 -6 0 49.53 6.09 8 -6 0 50.18 6.18 8 6 1 50.32 5.73 8 -6 1 43.63 5.37 8 -6 1 55.41 6.53 8 6 2 28.36 4.49 8 -6 2 33.77 5.03 8 -6 2 23.96 4.37 8 -6 3 23.22 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4.81 10 4 10 36.16 4.98 10 -4 10 35.46 5.19 10 4 10 36.07 4.99 10 4 11 89.28 8.02 10 -4 11 90.65 8.60 10 4 11 89.67 8.27 10 4 12 52.90 6.18 10 -4 12 53.96 6.48 10 4 12 43.05 5.95 10 4 13 38.71 5.42 10 -4 13 34.53 5.33 10 4 13 38.49 5.48 10 4 14 40.00 5.51 10 -4 14 33.29 5.35 10 4 14 44.63 5.72 10 4 15 32.65 5.19 10 4 15 32.45 5.02 10 -4 15 40.06 5.86 10 -4 16 10.51 3.16 10 4 16 20.70 4.30 10 4 17 21.08 4.53 10 -4 17 24.02 5.16 10 4 18 31.84 5.21 10 -4 18 23.92 4.84 10 -4 19 11.00 2.92 10 4 19 4.94 1.45 10 4 20 2.43 1.45 10 4 21 5.94 1.53 10 4 22 8.18 3.45 10 4 23 0.79 1.75 10 4 24 10.80 3.98 10 4 25 11.47 3.59 10 -5 -24 2.16 2.32 10 -5 -23 2.35 2.29 10 -5 -22 3.06 1.65 10 -5 -21 2.66 3.26 10 -5 -20 -0.24 1.25 10 -5 -19 0.40 2.18 10 -5 -19 9.07 4.13 10 -5 -18 -0.45 0.85 10 -5 -18 1.58 0.94 10 5 -18 -0.81 1.58 10 -5 -17 -0.89 1.67 10 -5 -17 2.61 2.28 10 5 -17 2.34 2.03 10 -5 -16 5.60 2.24 10 -5 -16 6.30 3.25 10 5 -16 13.30 3.56 10 5 -15 5.42 2.28 10 -5 -15 6.52 2.70 10 5 -14 5.04 2.43 10 -5 -14 5.77 2.57 10 -5 -14 2.73 2.04 10 5 -13 0.68 1.79 10 -5 -13 2.56 2.26 10 -5 -13 2.05 1.64 10 5 -12 0.41 1.22 10 -5 -12 -0.27 0.82 10 -5 -11 0.27 0.99 10 5 -11 3.60 1.86 10 -5 -11 2.97 2.13 10 -5 -10 11.36 2.97 10 5 -10 18.32 3.89 10 -5 -10 10.16 3.05 10 -5 -9 1.21 1.07 10 5 -9 1.78 1.76 10 -5 -9 4.20 1.81 10 5 -8 6.23 2.47 10 -5 -8 14.67 3.39 10 -5 -8 15.46 3.69 10 5 -7 9.89 3.29 10 -5 -7 8.82 2.61 10 -5 -7 13.17 3.68 10 5 -6 3.43 1.76 10 -5 -6 4.59 1.91 10 5 -6 3.13 1.52 10 -5 -6 2.78 1.61 10 5 -5 5.46 2.44 10 -5 -5 4.10 1.85 10 5 -5 7.70 1.97 10 -5 -5 5.86 2.28 10 -5 -4 21.29 4.52 10 5 -4 14.44 2.79 10 -5 -4 26.09 4.81 10 5 -4 20.17 4.09 10 5 -3 8.37 2.91 10 -5 -3 10.26 3.12 10 -5 -3 8.11 2.69 10 5 -3 11.16 2.71 10 -5 -2 13.01 3.29 10 -5 -2 17.23 3.87 10 5 -2 21.35 3.53 10 5 -2 24.58 4.35 10 5 -1 50.42 6.15 10 5 -1 52.56 5.97 10 -5 -1 62.59 6.84 10 -5 -1 64.17 6.88 10 5 0 35.15 4.98 10 5 0 27.73 4.20 10 -5 0 24.00 4.25 10 -5 0 22.90 4.23 10 5 1 57.46 6.68 10 5 1 61.24 6.55 10 -5 1 57.86 6.58 10 -5 1 64.54 7.01 10 -5 2 18.59 4.38 10 5 2 20.61 3.80 10 -5 2 21.69 4.13 10 5 2 17.11 3.38 10 5 3 9.28 2.85 10 5 3 11.14 2.89 10 -5 3 3.61 2.82 10 -5 3 15.16 3.15 10 5 4 17.01 3.30 10 5 4 21.62 3.71 10 -5 4 19.89 4.00 10 -5 4 24.61 4.39 10 5 5 5.05 1.84 10 -5 5 3.23 1.51 10 -5 5 3.95 1.93 10 5 6 5.60 2.33 10 5 6 5.46 2.81 10 -5 6 6.06 2.25 10 -5 6 5.51 2.76 10 5 7 12.89 2.95 10 5 7 11.21 3.04 10 -5 7 10.13 3.31 10 -5 7 10.90 3.07 10 5 8 12.56 2.79 10 5 8 14.10 3.40 10 -5 8 14.43 3.52 10 -5 8 19.24 4.03 10 5 9 3.49 2.30 10 5 9 1.51 1.19 10 -5 9 1.45 2.07 10 -5 9 -0.21 1.77 10 5 10 7.26 2.49 10 5 10 11.33 2.80 10 -5 10 16.60 4.05 10 -5 10 13.44 3.13 10 5 11 1.40 1.44 10 5 11 3.20 1.84 10 -5 11 -0.65 1.00 10 -5 11 3.23 2.42 10 5 12 1.53 1.14 10 5 12 1.08 2.25 10 -5 12 0.01 1.81 10 -5 12 3.58 2.34 10 5 13 0.31 1.25 10 5 13 2.55 1.94 10 -5 13 0.66 1.83 10 5 14 2.83 1.51 10 5 14 2.77 1.09 10 -5 14 5.03 2.22 10 5 15 10.41 3.38 10 5 15 6.41 2.72 10 -5 15 3.71 1.96 10 5 16 10.35 3.40 10 5 16 12.45 3.49 10 -5 16 3.17 1.94 10 -5 17 1.77 2.44 10 5 17 1.03 2.27 10 -5 18 1.61 2.06 10 5 18 -0.13 1.29 10 5 19 1.10 1.05 10 5 20 -0.29 1.08 10 5 21 2.61 2.37 10 5 22 2.97 2.04 10 5 23 1.58 2.21 10 5 24 3.37 3.27 10 -6 -22 3.34 1.87 10 -6 -21 15.20 4.20 10 -6 -20 15.31 4.42 10 -6 -20 5.02 3.45 10 -6 -19 7.91 2.65 10 -6 -19 6.37 2.79 10 -6 -18 12.38 3.62 10 -6 -18 14.38 4.15 10 6 -17 11.42 3.35 10 -6 -17 11.06 3.59 10 -6 -17 12.11 3.83 10 6 -16 19.98 4.38 10 -6 -16 14.83 4.23 10 -6 -16 17.81 4.56 10 -6 -15 36.28 5.71 10 -6 -15 33.71 5.69 10 6 -15 41.01 5.96 10 -6 -14 35.55 6.04 10 -6 -14 35.46 5.73 10 6 -14 34.40 5.70 10 6 -13 18.80 3.74 10 -6 -13 23.64 5.07 10 -6 -13 17.26 4.03 10 6 -12 23.86 4.47 10 -6 -12 13.85 3.63 10 -6 -12 13.84 3.54 10 6 -11 16.67 3.83 10 -6 -11 24.48 4.68 10 -6 -11 21.64 4.45 10 6 -10 21.16 4.09 10 -6 -10 24.05 4.40 10 -6 -10 13.67 3.31 10 6 -9 22.93 4.38 10 -6 -9 32.16 5.34 10 -6 -9 25.40 4.67 10 -6 -8 33.33 5.48 10 -6 -8 32.64 5.12 10 6 -8 23.97 4.64 10 -6 -7 9.24 3.01 10 6 -7 9.53 2.58 10 -6 -7 5.48 2.24 10 -6 -6 14.31 3.71 10 6 -6 10.38 3.19 10 -6 -6 9.84 2.71 10 6 -5 50.69 6.27 10 -6 -5 32.04 5.60 10 -6 -5 25.53 4.56 10 6 -5 41.10 5.61 10 6 -4 34.77 5.12 10 6 -4 31.86 4.67 10 -6 -4 30.03 5.11 10 -6 -4 25.43 4.82 10 -6 -3 4.71 2.02 10 6 -3 3.03 2.41 10 -6 -3 3.57 1.76 10 6 -3 3.72 1.73 10 6 -2 20.78 4.47 10 -6 -2 12.65 3.42 10 -6 -2 18.86 3.68 10 6 -2 13.42 3.12 10 6 -1 46.97 6.14 10 6 -1 50.34 5.96 10 -6 -1 55.13 6.45 10 -6 -1 34.84 5.48 10 6 0 46.64 6.18 10 6 0 48.81 6.13 10 -6 0 59.69 6.99 10 -6 0 45.54 6.05 10 6 1 53.18 6.23 10 6 1 49.25 6.05 10 -6 1 44.87 5.93 10 -6 1 45.87 5.84 10 6 2 22.22 4.14 10 -6 2 8.27 2.15 10 6 2 17.67 4.09 10 -6 2 18.14 3.82 10 6 3 4.42 1.82 10 6 3 5.28 2.12 10 -6 3 1.92 1.53 10 -6 3 1.28 1.78 10 6 4 30.64 4.53 10 6 4 22.57 4.52 10 -6 4 30.12 5.13 10 -6 4 30.40 5.17 10 6 5 35.75 5.70 10 6 5 29.43 4.83 10 -6 5 30.59 5.13 10 -6 5 34.24 5.25 10 6 6 23.19 4.62 10 6 6 13.79 3.29 10 -6 6 13.88 3.27 10 -6 6 20.90 4.44 10 6 7 4.50 2.25 10 6 7 4.06 1.94 10 -6 7 5.02 2.11 10 6 8 26.60 4.77 10 6 8 28.93 4.69 10 -6 8 20.81 4.71 10 -6 8 31.65 5.25 10 -6 9 22.72 4.89 10 6 9 23.39 4.86 10 6 9 25.51 4.62 10 -6 9 25.47 5.21 10 6 10 24.13 4.74 10 6 10 20.42 4.23 10 -6 10 20.44 4.36 10 -6 10 20.68 4.44 10 6 11 13.75 3.80 10 6 11 17.03 3.76 10 -6 11 12.96 3.54 10 6 12 18.19 3.91 10 6 12 22.98 4.32 10 -6 12 13.75 3.78 10 -6 12 12.34 3.24 10 6 13 26.48 4.74 10 -6 13 17.47 4.05 10 6 13 30.45 4.92 10 -6 13 23.42 4.80 10 6 14 31.18 5.29 10 6 14 23.78 4.60 10 -6 14 24.74 4.78 10 -6 14 34.29 5.58 10 -6 15 39.47 6.10 10 6 15 41.93 6.15 10 6 15 24.82 5.11 10 -6 15 41.33 6.88 10 6 16 20.77 4.49 10 6 16 23.26 4.59 10 -6 16 13.60 3.90 10 -6 16 20.37 4.81 10 6 17 13.43 3.52 10 -6 17 18.48 4.69 10 6 18 12.70 3.67 10 6 19 0.62 1.31 10 6 20 10.20 3.49 10 6 21 12.73 3.48 10 6 22 4.94 3.37 10 -7 -20 3.45 2.83 10 -7 -20 3.56 2.39 10 -7 -19 0.26 1.51 10 -7 -19 1.26 1.16 10 -7 -18 3.20 2.60 10 -7 -18 0.89 2.15 10 7 -17 -1.37 2.06 10 -7 -17 0.91 1.55 10 -7 -17 3.43 2.90 10 7 -16 4.74 2.98 10 -7 -16 6.24 3.21 10 -7 -16 3.45 1.90 10 7 -15 4.81 2.91 10 -7 -15 0.03 1.44 10 -7 -15 3.86 2.38 10 -7 -14 9.32 3.39 10 -7 -14 4.51 2.12 10 7 -13 6.02 2.43 10 -7 -13 2.29 1.45 10 -7 -13 4.12 2.40 10 7 -12 -1.22 2.13 10 -7 -12 1.79 1.08 10 -7 -12 1.37 1.14 10 7 -11 12.52 3.91 10 -7 -11 12.83 3.69 10 -7 -11 12.30 3.63 10 7 -10 14.97 3.66 10 -7 -10 11.27 2.71 10 -7 -10 13.33 3.16 10 7 -9 5.41 2.70 10 -7 -9 11.08 3.19 10 -7 -9 8.15 2.86 10 7 -8 6.76 2.86 10 -7 -8 5.28 2.72 10 -7 -8 5.47 2.80 10 7 -7 2.35 1.96 -10 7 -7 -0.19 2.23 10 -7 -7 0.90 1.59 10 -7 -7 1.39 1.65 10 -7 -6 2.87 1.27 10 7 -6 3.45 2.01 -10 7 -6 3.49 2.31 10 -7 -6 9.64 3.12 10 -7 -5 1.60 1.52 10 7 -5 2.86 2.57 -10 7 -5 2.47 1.53 10 -7 -5 2.16 1.56 10 -7 -4 1.27 1.59 10 -7 -4 1.52 1.56 10 -7 -3 2.83 2.37 10 7 -3 2.63 0.77 10 7 -3 6.04 1.98 10 -7 -3 2.54 2.02 10 -7 -2 10.09 3.25 10 7 -2 4.11 1.94 10 7 -2 5.91 2.89 10 -7 -2 8.06 3.20 10 -7 -1 20.20 4.25 10 7 -1 17.80 4.36 10 7 -1 15.30 3.68 10 -7 -1 22.43 4.37 10 -7 0 2.53 2.01 10 7 0 7.18 2.80 10 7 0 7.14 2.81 10 -7 0 1.72 1.07 10 -7 1 16.94 3.64 10 7 1 14.72 4.09 10 7 1 15.05 3.09 10 -7 1 12.62 3.47 10 -7 2 4.52 2.36 10 7 2 5.90 2.97 10 7 2 6.24 2.50 10 -7 2 4.35 2.01 10 -7 3 6.40 2.85 10 7 3 4.95 2.53 10 7 3 4.87 2.98 10 -7 3 3.48 1.47 10 -7 4 3.41 2.18 10 7 4 0.42 1.52 10 7 4 0.35 1.36 10 -7 4 1.98 1.75 10 -7 5 3.13 1.86 10 7 5 0.54 2.12 10 7 5 3.45 2.62 10 -7 5 1.70 1.52 10 7 6 3.96 1.68 10 7 6 8.53 2.12 10 -7 6 5.03 2.44 10 -7 7 0.58 1.13 10 7 7 -0.74 1.39 10 7 7 -0.29 0.73 10 -7 7 -0.17 1.36 10 -7 8 5.34 1.64 10 7 8 11.89 3.35 10 7 8 13.67 3.50 10 -7 8 8.60 2.95 10 -7 9 8.17 3.27 10 7 9 14.41 3.70 10 7 9 5.64 2.71 10 -7 9 5.91 3.01 10 -7 10 12.20 4.07 10 7 10 12.22 3.65 10 7 10 10.55 3.44 10 -7 10 7.00 2.64 10 -7 11 13.04 3.89 10 7 11 5.83 2.65 10 7 11 8.79 2.97 10 -7 11 9.49 3.63 10 7 12 1.32 1.57 10 -7 12 2.47 2.26 10 7 12 2.18 2.14 10 -7 12 1.84 1.92 10 7 13 1.01 1.48 10 -7 13 4.65 2.33 10 7 13 1.48 1.36 10 -7 13 -0.68 1.79 10 7 14 12.34 3.30 10 -7 14 9.29 3.46 10 7 14 12.69 3.10 10 7 15 -0.23 1.16 10 -7 15 2.76 1.75 10 7 15 -0.69 1.77 10 7 16 7.94 2.39 10 7 16 9.04 3.22 10 7 17 -1.15 1.24 10 7 18 3.81 1.87 10 7 19 -0.37 1.51 10 7 20 1.70 1.27 10 -8 -17 -2.26 2.36 10 -8 -17 6.42 3.30 10 -8 -16 -2.36 1.57 10 -8 -16 -0.35 1.23 10 8 -15 14.52 4.38 10 -8 -15 11.28 2.66 10 -8 -15 18.58 4.48 10 8 -14 14.34 3.96 10 -8 -14 20.07 4.30 10 -8 -14 7.34 3.25 10 -8 -13 7.13 2.88 10 8 -13 2.71 2.16 10 -8 -13 2.03 1.91 10 8 -12 4.50 2.42 10 -8 -12 9.34 3.05 10 -8 -12 6.49 3.13 10 8 -11 5.99 1.71 10 -8 -11 6.67 2.84 10 -8 -11 4.09 3.01 10 8 -10 5.89 2.88 10 -8 -10 5.18 2.76 10 -8 -10 4.06 2.42 10 8 -9 15.80 4.14 10 -8 -9 10.98 3.53 10 -8 -9 12.62 3.50 10 8 -8 13.69 3.69 10 -8 -8 14.01 3.83 10 -8 -8 20.39 5.04 10 8 -7 5.03 1.71 -10 8 -7 2.50 2.92 10 -8 -7 3.10 2.40 10 -8 -7 3.37 1.77 10 8 -6 23.22 4.81 -10 8 -6 22.05 4.72 10 -8 -6 27.07 5.04 10 -8 -6 19.32 4.53 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4.50 2.56 19 3 6 0.46 0.99 19 3 7 3.19 2.29 19 -3 7 7.25 3.40 19 -3 7 -0.27 1.43 19 3 7 4.13 2.47 19 3 7 4.12 2.60 19 3 8 8.74 3.14 19 -3 8 13.91 4.19 19 -3 8 15.15 4.76 19 3 8 12.41 3.81 19 3 8 9.56 4.18 19 3 9 -1.42 1.78 19 -3 9 5.13 2.79 19 -3 9 7.97 3.67 19 3 9 1.86 3.16 19 -4 -6 -1.19 1.83 19 -4 -6 2.54 1.64 19 4 -6 2.00 1.50 19 -4 -5 -0.16 1.30 19 -4 -5 -2.42 2.04 19 4 -5 -0.68 1.52 19 -4 -4 1.79 2.12 19 -4 -4 1.89 1.08 19 4 -4 6.10 2.87 19 -4 -3 0.20 1.72 19 4 -3 0.36 1.97 19 -4 -2 5.34 2.96 19 -4 -2 3.52 2.47 19 4 -2 -0.31 2.40 19 -4 -1 -0.39 1.56 19 -4 -1 -0.29 1.58 19 4 -1 0.82 1.31 19 4 -1 -1.18 1.33 19 -4 0 3.27 2.35 19 -4 0 -2.09 2.93 19 4 0 4.07 2.99 19 4 0 1.43 2.23 19 -4 1 -0.77 2.18 19 -4 1 -0.59 1.54 19 4 1 2.06 1.73 19 4 1 2.53 1.57 19 -4 2 7.54 3.61 19 -4 2 2.04 2.51 19 4 2 2.33 2.02 19 4 2 -0.34 1.84 19 4 3 3.25 3.12 19 -4 3 1.41 2.33 19 -4 3 4.82 2.52 19 4 3 -1.17 2.29 19 4 4 6.39 2.56 19 -4 4 7.52 3.07 19 -4 4 5.31 3.28 19 4 4 2.38 2.64 19 4 5 0.91 1.88 19 -4 5 0.19 2.26 19 -4 5 -0.08 1.51 19 4 5 3.49 2.27 19 4 6 -0.92 2.30 19 -4 6 2.55 1.55 19 -4 6 0.88 3.07 19 4 6 0.82 1.30 20 0 -8 68.47 9.55 20 0 -7 -0.77 2.04 20 0 -6 -2.13 2.44 20 0 -6 1.50 2.72 20 0 -5 15.25 4.59 20 0 -5 18.35 4.53 20 0 -4 62.96 8.57 20 0 -4 67.63 8.89 20 0 -3 -1.74 2.62 20 0 -3 0.25 2.07 20 0 -2 80.38 9.46 20 0 -2 80.39 9.70 20 0 -1 5.03 3.12 20 0 -1 3.27 2.42 20 0 0 -0.05 2.03 20 0 0 -1.22 1.99 20 0 1 3.09 1.76 20 0 1 3.28 2.07 20 0 2 73.60 9.13 20 0 2 98.68 10.24 20 0 3 -0.29 1.39 20 0 3 0.79 1.75 20 0 4 64.68 8.46 20 0 4 71.19 8.89 20 0 5 18.02 4.66 20 0 5 15.96 4.40 20 0 6 2.35 2.87 20 0 6 -0.65 2.10 20 0 7 3.93 2.67 20 0 7 0.69 2.44 20 0 8 49.05 7.55 20 0 8 46.27 7.01 20 -1 -7 -0.92 1.82 20 -1 -7 0.16 1.72 20 -1 -6 -0.16 1.83 20 -1 -6 0.43 1.59 20 1 -6 -1.30 1.91 20 -1 -5 0.38 1.57 20 -1 -5 4.00 2.19 20 1 -5 2.96 2.76 20 -1 -4 -1.72 2.35 20 1 -4 0.48 1.05 20 -1 -4 0.59 1.12 20 1 -4 1.35 1.82 20 -1 -3 6.51 2.68 20 1 -3 4.88 2.28 20 -1 -3 10.43 2.84 20 1 -3 4.09 1.17 20 -1 -2 1.74 2.38 20 1 -2 3.66 2.92 20 -1 -2 0.72 2.36 20 1 -2 1.92 2.28 20 -1 -1 0.70 1.27 20 1 -1 3.66 2.43 20 -1 -1 2.19 1.17 20 1 -1 4.79 2.98 20 -1 0 -1.13 1.28 20 1 0 -3.58 3.45 20 -1 0 1.35 1.85 20 1 0 0.18 2.80 20 -1 1 0.91 2.10 20 1 1 2.82 2.77 20 -1 1 1.65 1.49 20 1 1 8.12 3.44 20 -1 2 0.77 1.03 20 1 2 2.13 2.01 20 -1 2 1.11 1.17 20 1 2 5.00 2.97 20 -1 3 6.39 2.97 20 1 3 9.53 3.03 20 -1 3 5.76 2.66 20 1 3 3.73 1.63 20 -1 4 0.07 1.50 20 1 4 0.41 2.61 20 -1 4 -0.41 1.73 20 1 4 2.62 2.98 20 -1 5 1.99 1.38 20 1 5 4.66 2.83 20 -1 5 8.19 2.98 20 1 5 4.25 2.39 20 -1 6 3.22 2.83 20 1 6 -0.24 1.42 20 -1 6 -0.10 1.75 20 1 6 5.30 3.09 20 -1 7 -1.10 2.51 20 1 7 -1.01 1.16 20 -1 7 0.11 2.38 20 1 7 0.79 2.87 20 -2 -6 6.41 2.55 20 -2 -6 4.82 2.89 20 -2 -5 2.38 1.96 20 -2 -5 -0.93 2.75 20 -2 -4 5.54 2.65 20 -2 -4 6.61 3.03 20 -2 -3 2.06 2.05 20 2 -3 0.47 2.50 20 -2 -3 1.41 2.91 20 -2 -2 27.09 5.60 20 2 -2 22.76 5.35 20 -2 -2 31.21 5.48 20 2 -2 41.31 5.98 20 -2 -1 1.06 2.04 20 2 -1 1.68 1.35 20 -2 -1 1.15 1.27 20 2 -1 0.50 1.92 20 2 -1 0.73 2.33 20 -2 0 2.32 1.33 20 2 0 -0.57 1.34 20 -2 0 1.05 2.29 20 2 0 0.53 2.74 20 2 0 3.23 3.09 20 -2 1 1.10 1.13 20 2 1 -3.39 2.28 20 -2 1 1.41 2.81 20 2 1 0.29 2.64 20 2 1 1.94 1.66 20 -2 2 41.35 6.79 20 2 2 33.86 6.17 20 2 2 45.26 7.48 20 -2 2 25.26 5.69 20 2 2 19.77 4.89 20 -2 3 0.64 1.35 20 -2 3 -0.66 1.11 20 2 3 0.45 1.08 20 2 3 -0.67 1.44 20 2 3 2.81 2.69 20 -2 4 5.33 3.07 20 -2 4 9.24 2.76 20 2 4 5.46 2.61 20 2 4 7.05 3.49 20 2 4 4.77 3.08 20 -2 5 -1.11 1.47 20 -2 5 0.59 1.25 20 2 5 4.56 3.21 20 2 5 1.98 2.59 20 2 5 -2.56 2.82 20 -2 6 3.63 1.91 20 2 6 0.60 1.57 20 2 6 2.40 1.12 20 2 6 2.78 2.31 20 -3 -1 -0.10 1.38 20 -3 -1 0.95 1.99 20 3 -1 0.98 2.38 20 3 -1 -2.02 2.21 20 -3 0 -1.93 1.76 20 -3 0 -1.78 2.29 20 3 0 -1.44 2.29 20 3 0 -2.72 2.98 20 -3 1 -0.01 1.89 20 -3 1 1.97 2.26 20 3 1 -2.75 2.42 20 3 1 1.20 2.02 0 0 0 0.00 0.00 TITL 003_290K_SulfamerazineF1_ in Pna2(1) REM Pna2(1) (#33, found as Pbn2(1) in ba-c setting) CELL 0.68890 14.500774 8.214082 21.982107 90.0000 90.0000 90.0000 ZERR 8.00 0.000179 0.000109 0.000387 0.0000 0.0000 0.0000 LATT -1 SYMM -x,-y, z+1/2 SYMM x+1/2,-y+1/2, z SYMM -x+1/2, y+1/2, z+1/2 SFAC C H N O S UNIT 88.00 96.00 32.00 16.00 8.00 TREF HKLF 4 END _computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)' ; _shelx_hkl_checksum 10679