data_280k_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 14.4973(2) _cell_length_b 8.21180(10) _cell_length_c 21.9658(3) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 2615.00(6) _cell_formula_units_Z 8 _cell_measurement_temperature 280 _cell_measurement_reflns_used 10058 _cell_measurement_theta_min 1.7980 _cell_measurement_theta_max 29.4360 _exptl_crystal_description Parallelepiped _exptl_crystal_colour Colourless _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_density_diffrn 1.343 _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 0.248 _shelx_estimated_absorpt_T_min 0.886 _shelx_estimated_absorpt_T_max 0.952 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.99394 _exptl_absorpt_correction_T_max 1.00000 _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 280 _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 23768 _diffrn_reflns_av_unetI/netI 0.0437 _diffrn_reflns_av_R_equivalents 0.0439 _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 1.797 _diffrn_reflns_theta_max 29.474 _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 7757 _reflns_number_gt 5718 _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 2069 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 7757 _refine_ls_number_parameters 344 _refine_ls_number_restraints 1 _refine_ls_R_factor_all 0.0722 _refine_ls_R_factor_gt 0.0493 _refine_ls_wR_factor_ref 0.1301 _refine_ls_wR_factor_gt 0.1132 _refine_ls_goodness_of_fit_ref 1.025 _refine_ls_restrained_S_all 1.025 _refine_ls_shift/su_max 0.001 _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 0.64698(6) 0.49598(10) 0.34456(5) 0.0390(2) Uani 1 1 d . . . . . S2 S 0.57777(6) 0.49473(10) 0.65235(5) 0.0383(2) Uani 1 1 d . . . . . O1 O 0.6903(2) 0.3718(3) 0.30914(14) 0.0509(7) Uani 1 1 d . . . . . O2 O 0.55000(18) 0.5230(3) 0.33793(15) 0.0502(7) Uani 1 1 d . . . . . O3 O 0.67486(18) 0.4669(3) 0.65858(14) 0.0490(7) Uani 1 1 d . . . . . O4 O 0.53570(19) 0.6220(3) 0.68660(14) 0.0505(7) Uani 1 1 d . . . . . N1 N 0.8435(3) 1.1163(5) 0.3121(2) 0.0585(10) Uani 1 1 d . . . . . N2 N 0.6561(2) 0.4495(4) 0.41731(17) 0.0441(8) Uani 1 1 d . . . . . N3 N 0.8154(2) 0.4102(4) 0.41773(16) 0.0438(7) Uani 1 1 d . . . . . N4 N 0.7284(3) 0.4280(5) 0.50920(17) 0.0608(10) Uani 1 1 d . . . . . N5 N 0.3805(3) -0.1201(4) 0.6961(2) 0.0747(13) Uani 1 1 d . . . . . H5A H 0.3243 -0.1188 0.7086 0.097 Uiso 1 1 calc R U . . . H5B H 0.4079 -0.2114 0.6897 0.097 Uiso 1 1 calc R U . . . N6 N 0.5683(2) 0.5356(5) 0.57912(16) 0.0466(8) Uani 1 1 d . . . . . N7 N 0.4101(2) 0.5846(4) 0.57946(17) 0.0469(8) Uani 1 1 d . . . . . N8 N 0.4968(2) 0.5666(5) 0.48753(18) 0.0586(9) Uani 1 1 d . . . . . C1 C 0.7059(2) 0.6777(4) 0.33421(19) 0.0352(7) Uani 1 1 d . . . . . C2 C 0.7954(2) 0.6796(4) 0.31097(17) 0.0380(8) Uani 1 1 d . . . . . H2 H 0.8244 0.5825 0.3006 0.049 Uiso 1 1 calc R U . . . C3 C 0.8406(2) 0.8255(4) 0.30344(19) 0.0378(8) Uani 1 1 d . . . . . H3 H 0.9003 0.8262 0.2879 0.049 Uiso 1 1 calc R U . . . C4 C 0.7980(3) 0.9727(4) 0.31891(18) 0.0398(8) Uani 1 1 d . . . . . C5 C 0.7078(3) 0.9687(4) 0.3428(2) 0.0449(9) Uani 1 1 d . . . . . H5 H 0.6787 1.0653 0.3536 0.058 Uiso 1 1 calc R U . . . C6 C 0.6626(2) 0.8231(4) 0.3500(2) 0.0444(9) Uani 1 1 d . . . . . H6 H 0.6029 0.8215 0.3655 0.058 Uiso 1 1 calc R U . . . C7 C 0.7380(2) 0.4290(5) 0.44927(18) 0.0408(8) Uani 1 1 d . . . . . C8 C 0.8064(3) 0.4020(9) 0.5406(3) 0.0821(18) Uani 1 1 d . . . . . H8 H 0.8035 0.3972 0.5828 0.107 Uiso 1 1 calc R U . . . C9 C 0.8901(3) 0.3822(8) 0.5126(3) 0.0780(16) Uani 1 1 d . . . . . H9 H 0.9435 0.3652 0.5352 0.101 Uiso 1 1 calc R U . . . C10 C 0.8926(3) 0.3884(5) 0.4502(2) 0.0544(11) Uani 1 1 d . . . . . C11 C 0.9800(3) 0.3706(7) 0.4149(3) 0.0740(15) Uani 1 1 d . . . . . H11A H 0.9773 0.2731 0.3908 0.096 Uiso 1 1 calc R U . . . H11B H 1.0312 0.3642 0.4425 0.096 Uiso 1 1 calc R U . . . H11C H 0.9877 0.4631 0.3887 0.096 Uiso 1 1 calc R U . . . C12 C 0.5193(2) 0.3140(4) 0.66564(17) 0.0364(7) Uani 1 1 d . . . . . C13 C 0.5634(3) 0.1671(4) 0.6555(2) 0.0492(10) Uani 1 1 d . . . . . H13 H 0.6239 0.1658 0.6415 0.064 Uiso 1 1 calc R U . . . C14 C 0.5180(3) 0.0236(5) 0.6660(2) 0.0559(12) Uani 1 1 d . . . . . H14 H 0.5484 -0.0747 0.6596 0.073 Uiso 1 1 calc R U . . . C15 C 0.4264(3) 0.0232(4) 0.6864(2) 0.0477(10) Uani 1 1 d . . . . . C16 C 0.3828(3) 0.1721(4) 0.69659(19) 0.0432(9) Uani 1 1 d . . . . . H16 H 0.3221 0.1738 0.7104 0.056 Uiso 1 1 calc R U . . . C17 C 0.4283(2) 0.3164(4) 0.68648(19) 0.0385(8) Uani 1 1 d . . . . . H17 H 0.3987 0.4151 0.6935 0.050 Uiso 1 1 calc R U . . . C18 C 0.4868(3) 0.5638(5) 0.54796(19) 0.0421(8) Uani 1 1 d . . . . . C19 C 0.4192(3) 0.5986(9) 0.4569(2) 0.0823(18) Uani 1 1 d . . . . . H19 H 0.4215 0.6025 0.4146 0.107 Uiso 1 1 calc R U . . . C20 C 0.3370(3) 0.6256(8) 0.4851(3) 0.0812(17) Uani 1 1 d . . . . . H20 H 0.2846 0.6514 0.4625 0.106 Uiso 1 1 calc R U . . . C21 C 0.3329(3) 0.6142(6) 0.5471(2) 0.0557(11) Uani 1 1 d . . . . . C22 C 0.2463(3) 0.6339(8) 0.5833(3) 0.0820(16) Uani 1 1 d . . . . . H22A H 0.2382 0.7465 0.5937 0.107 Uiso 1 1 calc R U . . . H22B H 0.2505 0.5702 0.6198 0.107 Uiso 1 1 calc R U . . . H22C H 0.1947 0.5975 0.5595 0.107 Uiso 1 1 calc R U . . . H1N1 H 0.892(4) 1.122(8) 0.289(3) 0.11(2) Uiso 1 1 d . . . . . H2N1 H 0.812(4) 1.202(7) 0.315(3) 0.086(18) Uiso 1 1 d . . . . . H1N2 H 0.612(3) 0.483(5) 0.439(2) 0.048(13) Uiso 1 1 d . . . . . H1N6 H 0.619(4) 0.505(6) 0.562(3) 0.081(18) 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 0.0364(4) 0.0415(4) 0.0391(5) 0.0031(4) -0.0015(4) -0.0025(3) S2 0.0355(4) 0.0416(4) 0.0378(5) 0.0040(4) -0.0016(4) -0.0026(3) O1 0.0605(17) 0.0426(13) 0.0497(18) -0.0051(13) 0.0026(14) -0.0026(12) O2 0.0379(13) 0.0637(16) 0.0490(18) 0.0078(15) -0.0084(14) -0.0059(12) O3 0.0370(13) 0.0643(16) 0.0457(17) 0.0091(14) -0.0075(13) -0.0050(11) O4 0.0567(17) 0.0406(13) 0.0541(18) -0.0053(12) -0.0002(14) -0.0005(12) N1 0.055(2) 0.0427(18) 0.078(3) -0.0106(19) 0.018(2) -0.0074(16) N2 0.0334(15) 0.0563(19) 0.043(2) 0.0110(16) -0.0007(15) 0.0020(13) N3 0.0370(15) 0.0476(16) 0.047(2) 0.0051(15) 0.0020(14) 0.0035(13) N4 0.0441(19) 0.096(3) 0.042(2) 0.009(2) -0.0024(16) 0.0155(19) N5 0.066(2) 0.0432(18) 0.114(4) -0.005(2) 0.021(3) -0.0105(17) N6 0.0336(15) 0.069(2) 0.037(2) 0.0137(17) 0.0025(14) 0.0019(15) N7 0.0383(16) 0.0526(18) 0.050(2) 0.0023(16) 0.0021(14) 0.0050(13) N8 0.0431(18) 0.090(3) 0.043(2) 0.0052(19) -0.0023(16) 0.0153(18) C1 0.0347(16) 0.0371(15) 0.0337(19) 0.0017(14) 0.0025(15) 0.0021(12) C2 0.0365(17) 0.0420(17) 0.036(2) -0.0018(15) 0.0012(15) 0.0059(13) C3 0.0329(17) 0.0464(19) 0.034(2) -0.0021(16) 0.0050(15) 0.0005(13) C4 0.0392(18) 0.0430(18) 0.037(2) -0.0033(14) 0.0011(15) -0.0025(13) C5 0.0442(19) 0.0404(17) 0.050(2) -0.0049(18) 0.007(2) 0.0030(14) C6 0.0359(16) 0.0459(18) 0.052(2) -0.0017(18) 0.0088(17) 0.0033(13) C7 0.0365(18) 0.0449(18) 0.041(2) 0.0066(16) -0.0007(16) 0.0023(14) C8 0.056(3) 0.137(5) 0.053(3) 0.002(3) -0.008(2) 0.026(3) C9 0.044(2) 0.124(4) 0.066(4) -0.001(3) -0.014(3) 0.022(3) C10 0.040(2) 0.058(2) 0.065(3) -0.001(2) 0.000(2) 0.0077(17) C11 0.041(2) 0.095(4) 0.085(4) -0.004(3) 0.008(2) 0.011(2) C12 0.0350(16) 0.0374(15) 0.037(2) 0.0005(14) 0.0017(15) 0.0004(12) C13 0.0378(19) 0.0441(19) 0.066(3) -0.002(2) 0.009(2) 0.0051(14) C14 0.049(2) 0.0376(18) 0.082(4) -0.0003(19) 0.010(2) 0.0049(15) C15 0.052(2) 0.0405(18) 0.051(3) -0.0018(16) 0.0046(19) -0.0033(15) C16 0.0384(18) 0.0469(19) 0.044(2) -0.0068(16) 0.0055(16) -0.0046(14) C17 0.0373(18) 0.0378(17) 0.040(2) -0.0010(15) 0.0036(16) 0.0022(13) C18 0.0370(18) 0.0461(18) 0.043(2) 0.0065(17) -0.0001(16) 0.0017(14) C19 0.057(3) 0.147(6) 0.042(3) 0.006(3) -0.009(2) 0.029(3) C20 0.049(2) 0.131(5) 0.063(4) -0.004(3) -0.015(3) 0.031(3) C21 0.040(2) 0.065(3) 0.062(3) -0.001(2) -0.002(2) 0.0127(18) C22 0.042(2) 0.106(4) 0.098(4) -0.002(4) 0.009(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 1.428(3) . ? S1 O2 1.431(3) . ? S1 N2 1.648(4) . ? S1 C1 1.735(3) . ? S2 O4 1.425(3) . ? S2 O3 1.432(3) . ? S2 N6 1.649(4) . ? S2 C12 1.734(3) . ? N1 C4 1.360(5) . ? N1 H1N1 0.87(7) . ? N1 H2N1 0.84(6) . ? N2 C7 1.390(5) . ? N2 H1N2 0.85(5) . ? N3 C7 1.328(4) . ? N3 C10 1.340(5) . ? N4 C7 1.324(5) . ? N4 C8 1.340(6) . ? N5 C15 1.368(5) . ? N5 H5A 0.8600 . ? N5 H5B 0.8600 . ? N6 C18 1.385(5) . ? N6 H1N6 0.86(6) . ? N7 C18 1.321(5) . ? N7 C21 1.347(5) . ? N8 C18 1.335(5) . ? N8 C19 1.336(6) . ? C1 C2 1.394(5) . ? C1 C6 1.394(5) . ? C2 C3 1.375(5) . ? C2 H2 0.9300 . ? C3 C4 1.400(5) . ? C3 H3 0.9300 . ? C4 C5 1.410(5) . ? C5 C6 1.373(5) . ? C5 H5 0.9300 . ? C6 H6 0.9300 . ? C8 C9 1.370(7) . ? C8 H8 0.9300 . ? C9 C10 1.371(7) . ? C9 H9 0.9300 . ? C10 C11 1.493(6) . ? C11 H11A 0.9600 . ? C11 H11B 0.9600 . ? C11 H11C 0.9600 . ? C12 C13 1.383(5) . ? C12 C17 1.397(5) . ? C13 C14 1.369(5) . ? C13 H13 0.9300 . ? C14 C15 1.402(6) . ? C14 H14 0.9300 . ? C15 C16 1.394(5) . ? C16 C17 1.374(5) . ? C16 H16 0.9300 . ? C17 H17 0.9300 . ? C19 C20 1.361(7) . ? C19 H19 0.9300 . ? C20 C21 1.368(7) . ? C20 H20 0.9300 . ? C21 C22 1.494(6) . ? 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 119.18(18) . . ? O1 S1 N2 109.13(19) . . ? O2 S1 N2 102.32(18) . . ? O1 S1 C1 109.03(18) . . ? O2 S1 C1 109.72(16) . . ? N2 S1 C1 106.66(19) . . ? O4 S2 O3 119.15(19) . . ? O4 S2 N6 109.28(19) . . ? O3 S2 N6 101.99(18) . . ? O4 S2 C12 109.25(18) . . ? O3 S2 C12 109.14(17) . . ? N6 S2 C12 107.30(19) . . ? C4 N1 H1N1 120(4) . . ? C4 N1 H2N1 117(4) . . ? H1N1 N1 H2N1 116(6) . . ? C7 N2 S1 125.9(3) . . ? C7 N2 H1N2 114(3) . . ? S1 N2 H1N2 114(3) . . ? C7 N3 C10 116.3(4) . . ? C7 N4 C8 115.1(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 124(4) . . ? S2 N6 H1N6 107(4) . . ? C18 N7 C21 116.5(4) . . ? C18 N8 C19 114.4(4) . . ? C2 C1 C6 120.1(3) . . ? C2 C1 S1 121.1(3) . . ? C6 C1 S1 118.8(3) . . ? C3 C2 C1 119.8(3) . . ? C3 C2 H2 120.1 . . ? C1 C2 H2 120.1 . . ? C2 C3 C4 120.8(3) . . ? C2 C3 H3 119.6 . . ? C4 C3 H3 119.6 . . ? N1 C4 C3 120.6(4) . . ? N1 C4 C5 120.8(3) . . ? C3 C4 C5 118.7(3) . . ? C6 C5 C4 120.4(3) . . ? C6 C5 H5 119.8 . . ? C4 C5 H5 119.8 . . ? C5 C6 C1 120.1(3) . . ? C5 C6 H6 119.9 . . ? C1 C6 H6 119.9 . . ? N4 C7 N3 127.3(4) . . ? N4 C7 N2 114.4(4) . . ? N3 C7 N2 118.2(3) . . ? N4 C8 C9 122.4(5) . . ? N4 C8 H8 118.8 . . ? C9 C8 H8 118.8 . . ? C8 C9 C10 117.9(5) . . ? C8 C9 H9 121.1 . . ? C10 C9 H9 121.1 . . ? N3 C10 C9 121.0(4) . . ? N3 C10 C11 116.4(4) . . ? C9 C10 C11 122.6(4) . . ? 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 120.1(3) . . ? C13 C12 S2 119.6(3) . . ? C17 C12 S2 120.3(3) . . ? C14 C13 C12 120.1(3) . . ? C14 C13 H13 119.9 . . ? C12 C13 H13 119.9 . . ? C13 C14 C15 120.7(3) . . ? C13 C14 H14 119.6 . . ? C15 C14 H14 119.6 . . ? N5 C15 C16 120.6(4) . . ? N5 C15 C14 120.8(4) . . ? C16 C15 C14 118.6(3) . . ? C17 C16 C15 120.8(3) . . ? C17 C16 H16 119.6 . . ? C15 C16 H16 119.6 . . ? C16 C17 C12 119.6(3) . . ? C16 C17 H17 120.2 . . ? C12 C17 H17 120.2 . . ? N7 C18 N8 127.5(4) . . ? N7 C18 N6 118.8(4) . . ? N8 C18 N6 113.7(3) . . ? N8 C19 C20 122.8(5) . . ? N8 C19 H19 118.6 . . ? C20 C19 H19 118.6 . . ? C19 C20 C21 118.6(5) . . ? C19 C20 H20 120.7 . . ? C21 C20 H20 120.7 . . ? N7 C21 C20 120.2(4) . . ? N7 C21 C22 115.9(5) . . ? C20 C21 C22 123.9(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 60.3(4) . . . . ? O2 S1 N2 C7 -172.6(3) . . . . ? C1 S1 N2 C7 -57.4(4) . . . . ? O4 S2 N6 C18 -56.5(4) . . . . ? O3 S2 N6 C18 176.5(4) . . . . ? C12 S2 N6 C18 61.8(4) . . . . ? O1 S1 C1 C2 -18.2(4) . . . . ? O2 S1 C1 C2 -150.4(3) . . . . ? N2 S1 C1 C2 99.5(3) . . . . ? O1 S1 C1 C6 162.3(3) . . . . ? O2 S1 C1 C6 30.1(4) . . . . ? N2 S1 C1 C6 -80.0(4) . . . . ? C6 C1 C2 C3 -0.3(6) . . . . ? S1 C1 C2 C3 -179.8(3) . . . . ? C1 C2 C3 C4 0.1(6) . . . . ? C2 C3 C4 N1 179.2(4) . . . . ? C2 C3 C4 C5 0.4(6) . . . . ? N1 C4 C5 C6 -179.4(4) . . . . ? C3 C4 C5 C6 -0.6(6) . . . . ? C4 C5 C6 C1 0.4(7) . . . . ? C2 C1 C6 C5 0.0(6) . . . . ? S1 C1 C6 C5 179.5(4) . . . . ? C8 N4 C7 N3 -1.3(7) . . . . ? C8 N4 C7 N2 177.5(5) . . . . ? C10 N3 C7 N4 -0.3(6) . . . . ? C10 N3 C7 N2 -179.1(4) . . . . ? S1 N2 C7 N4 165.7(3) . . . . ? S1 N2 C7 N3 -15.4(5) . . . . ? C7 N4 C8 C9 1.7(9) . . . . ? N4 C8 C9 C10 -0.5(10) . . . . ? C7 N3 C10 C9 1.6(6) . . . . ? C7 N3 C10 C11 -178.8(4) . . . . ? C8 C9 C10 N3 -1.2(8) . . . . ? C8 C9 C10 C11 179.2(6) . . . . ? O4 S2 C12 C13 -157.7(3) . . . . ? O3 S2 C12 C13 -25.8(4) . . . . ? N6 S2 C12 C13 83.9(4) . . . . ? O4 S2 C12 C17 22.2(4) . . . . ? O3 S2 C12 C17 154.1(3) . . . . ? N6 S2 C12 C17 -96.1(3) . . . . ? C17 C12 C13 C14 -0.2(7) . . . . ? S2 C12 C13 C14 179.8(4) . . . . ? C12 C13 C14 C15 0.8(7) . . . . ? C13 C14 C15 N5 179.0(5) . . . . ? C13 C14 C15 C16 -0.9(7) . . . . ? N5 C15 C16 C17 -179.5(4) . . . . ? C14 C15 C16 C17 0.5(6) . . . . ? C15 C16 C17 C12 0.1(6) . . . . ? C13 C12 C17 C16 -0.3(6) . . . . ? S2 C12 C17 C16 179.8(3) . . . . ? C21 N7 C18 N8 -1.0(6) . . . . ? C21 N7 C18 N6 179.0(4) . . . . ? C19 N8 C18 N7 1.9(7) . . . . ? C19 N8 C18 N6 -178.1(5) . . . . ? S2 N6 C18 N7 10.8(5) . . . . ? S2 N6 C18 N8 -169.3(3) . . . . ? C18 N8 C19 C20 -0.1(9) . . . . ? N8 C19 C20 C21 -2.3(11) . . . . ? C18 N7 C21 C20 -1.6(7) . . . . ? C18 N7 C21 C22 178.7(4) . . . . ? C19 C20 C21 N7 3.2(9) . . . . ? C19 C20 C21 C22 -177.3(6) . . . . ? loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA _geom_hbond_site_symmetry_A N5 H5B O4 0.86 2.30 3.097(5) 153.4 1_545 C19 H19 O2 0.93 2.60 3.288(7) 131.7 . N1 H1N1 O4 0.87(7) 2.48(7) 3.266(5) 151(6) 4_654 N1 H2N1 O1 0.84(6) 2.26(6) 3.056(5) 160(5) 1_565 N2 H1N2 N8 0.85(5) 2.10(5) 2.939(5) 177(5) . N6 H1N6 N4 0.86(6) 2.07(6) 2.921(5) 171(6) . _refine_diff_density_max 0.237 _refine_diff_density_min -0.289 _refine_diff_density_rms 0.044 _shelx_res_file ; 280k_smz-f1_a.res created by SHELXL-2014/7 TITL 280k_smz-f1_a.res in Pna2(1) REM Old TITL 004_280K_SulfamerazineF1_ in Pna2(1) REM SHELXT solution in Pna2(1) REM R1 0.107, Rweak 0.027, Alpha 0.003, Orientation as input REM Flack x = 0.102 ( 0.053 ) from Parsons' quotients REM Formula found by SHELXT: C26 N4 O4 S2 CELL 0.68890 14.4973 8.2118 21.9658 90.000 90.000 90.000 ZERR 8.000 0.0002 0.0001 0.0003 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 SIZE 0.50 0.40 0.20 BOND $H FMAP 2 PLAN 20 ACTA CONF EQIV $1 x, y-1, z HTAB N5 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 LIST 4 WGHT 0.054100 0.358700 FVAR 0.41368 0.35344 S1 5 0.646984 0.495981 0.344558 11.00000 0.03644 0.04150 = 0.03908 0.00315 -0.00151 -0.00251 S2 5 0.577775 0.494732 0.652350 11.00000 0.03555 0.04163 = 0.03781 0.00398 -0.00161 -0.00258 O1 4 0.690313 0.371827 0.309141 11.00000 0.06051 0.04260 = 0.04973 -0.00511 0.00257 -0.00261 O2 4 0.549998 0.523019 0.337926 11.00000 0.03791 0.06367 = 0.04904 0.00782 -0.00842 -0.00589 O3 4 0.674861 0.466929 0.658581 11.00000 0.03697 0.06428 = 0.04574 0.00913 -0.00751 -0.00501 O4 4 0.535698 0.622001 0.686597 11.00000 0.05671 0.04061 = 0.05412 -0.00525 -0.00021 -0.00047 N1 3 0.843500 1.116291 0.312094 11.00000 0.05451 0.04273 = 0.07824 -0.01064 0.01836 -0.00738 N2 3 0.656089 0.449509 0.417314 11.00000 0.03337 0.05634 = 0.04265 0.01098 -0.00067 0.00200 N3 3 0.815387 0.410156 0.417726 11.00000 0.03701 0.04756 = 0.04696 0.00510 0.00198 0.00353 N4 3 0.728448 0.428050 0.509197 11.00000 0.04409 0.09609 = 0.04225 0.00947 -0.00239 0.01546 N5 3 0.380522 -0.120081 0.696096 11.00000 0.06643 0.04323 = 0.11447 -0.00512 0.02058 -0.01046 AFIX 93 H5A 2 0.324292 -0.118847 0.708562 11.00000 -1.30000 H5B 2 0.407922 -0.211385 0.689714 11.00000 -1.30000 AFIX 0 N6 3 0.568277 0.535553 0.579121 11.00000 0.03355 0.06938 = 0.03679 0.01370 0.00249 0.00195 N7 3 0.410065 0.584557 0.579457 11.00000 0.03831 0.05262 = 0.04970 0.00231 0.00205 0.00504 N8 3 0.496753 0.566607 0.487527 11.00000 0.04314 0.09007 = 0.04258 0.00523 -0.00233 0.01528 C1 1 0.705942 0.677694 0.334213 11.00000 0.03471 0.03708 = 0.03370 0.00167 0.00249 0.00213 C2 1 0.795394 0.679625 0.310969 11.00000 0.03653 0.04201 = 0.03551 -0.00182 0.00123 0.00593 AFIX 43 H2 2 0.824423 0.582535 0.300576 11.00000 -1.30000 AFIX 0 C3 1 0.840623 0.825451 0.303441 11.00000 0.03289 0.04643 = 0.03408 -0.00207 0.00501 0.00045 AFIX 43 H3 2 0.900277 0.826248 0.287873 11.00000 -1.30000 AFIX 0 C4 1 0.798006 0.972673 0.318914 11.00000 0.03916 0.04299 = 0.03719 -0.00326 0.00108 -0.00247 C5 1 0.707772 0.968693 0.342760 11.00000 0.04415 0.04041 = 0.05018 -0.00494 0.00711 0.00300 AFIX 43 H5 2 0.678677 1.065341 0.353637 11.00000 -1.30000 AFIX 0 C6 1 0.662552 0.823130 0.350035 11.00000 0.03592 0.04586 = 0.05157 -0.00169 0.00884 0.00325 AFIX 43 H6 2 0.602869 0.821542 0.365546 11.00000 -1.30000 AFIX 0 C7 1 0.737985 0.428967 0.449273 11.00000 0.03650 0.04489 = 0.04097 0.00665 -0.00066 0.00227 C8 1 0.806353 0.402027 0.540552 11.00000 0.05552 0.13744 = 0.05331 0.00211 -0.00849 0.02630 AFIX 43 H8 2 0.803476 0.397223 0.582810 11.00000 -1.30000 AFIX 0 C9 1 0.890077 0.382245 0.512606 11.00000 0.04417 0.12356 = 0.06616 -0.00069 -0.01357 0.02207 AFIX 43 H9 2 0.943460 0.365189 0.535202 11.00000 -1.30000 AFIX 0 C10 1 0.892650 0.388400 0.450235 11.00000 0.04003 0.05782 = 0.06541 -0.00134 0.00009 0.00773 C11 1 0.980018 0.370594 0.414910 11.00000 0.04140 0.09523 = 0.08538 -0.00353 0.00797 0.01150 AFIX 137 H11A 2 0.977319 0.273122 0.390846 11.00000 -1.30000 H11B 2 1.031229 0.364152 0.442513 11.00000 -1.30000 H11C 2 0.987701 0.463055 0.388651 11.00000 -1.30000 AFIX 0 C12 1 0.519303 0.313974 0.665638 11.00000 0.03504 0.03742 = 0.03679 0.00054 0.00168 0.00038 C13 1 0.563363 0.167135 0.655515 11.00000 0.03783 0.04405 = 0.06557 -0.00241 0.00943 0.00510 AFIX 43 H13 2 0.623905 0.165844 0.641526 11.00000 -1.30000 AFIX 0 C14 1 0.518026 0.023625 0.666048 11.00000 0.04866 0.03765 = 0.08151 -0.00025 0.00956 0.00492 AFIX 43 H14 2 0.548354 -0.074678 0.659618 11.00000 -1.30000 AFIX 0 C15 1 0.426397 0.023239 0.686418 11.00000 0.05173 0.04054 = 0.05079 -0.00180 0.00463 -0.00330 C16 1 0.382782 0.172122 0.696590 11.00000 0.03841 0.04687 = 0.04444 -0.00683 0.00546 -0.00456 AFIX 43 H16 2 0.322142 0.173799 0.710387 11.00000 -1.30000 AFIX 0 C17 1 0.428300 0.316394 0.686479 11.00000 0.03729 0.03776 = 0.04032 -0.00101 0.00358 0.00220 AFIX 43 H17 2 0.398673 0.415086 0.693474 11.00000 -1.30000 AFIX 0 C18 1 0.486806 0.563812 0.547961 11.00000 0.03698 0.04606 = 0.04336 0.00654 -0.00014 0.00171 C19 1 0.419211 0.598576 0.456931 11.00000 0.05727 0.14704 = 0.04250 0.00560 -0.00926 0.02915 AFIX 43 H19 2 0.421520 0.602507 0.414646 11.00000 -1.30000 AFIX 0 C20 1 0.336952 0.625645 0.485050 11.00000 0.04892 0.13135 = 0.06341 -0.00364 -0.01487 0.03126 AFIX 43 H20 2 0.284606 0.651353 0.462542 11.00000 -1.30000 AFIX 0 C21 1 0.332931 0.614223 0.547122 11.00000 0.03995 0.06520 = 0.06181 -0.00083 -0.00211 0.01267 C22 1 0.246339 0.633896 0.583273 11.00000 0.04177 0.10594 = 0.09833 -0.00166 0.00883 0.01480 AFIX 137 H22A 2 0.238239 0.746543 0.593666 11.00000 -1.30000 H22B 2 0.250466 0.570247 0.619831 11.00000 -1.30000 H22C 2 0.194679 0.597536 0.559550 11.00000 -1.30000 AFIX 0 H1N1 2 0.891738 1.121873 0.288601 11.00000 0.11264 H2N1 2 0.812295 1.201880 0.314834 11.00000 0.08616 H1N2 2 0.611589 0.483429 0.438680 11.00000 0.04843 H1N6 2 0.618969 0.505124 0.562054 11.00000 0.08113 HKLF 4 REM 280k_smz-f1_a.res in Pna2(1) REM R1 = 0.0493 for 5718 Fo > 4sig(Fo) and 0.0722 for all 7757 data REM 344 parameters refined using 1 restraints END WGHT 0.0512 0.3748 REM Highest difference peak 0.237, deepest hole -0.289, 1-sigma level 0.044 Q1 1 0.5465 0.3892 0.6664 11.00000 0.05 0.24 Q2 1 0.6791 0.5933 0.3438 11.00000 0.05 0.21 Q3 1 0.4857 0.3123 0.6753 11.00000 0.05 0.20 Q4 1 0.4206 0.5781 0.6203 11.00000 0.05 0.20 Q5 1 0.5416 0.2480 0.6659 11.00000 0.05 0.19 Q6 1 0.8453 0.3435 0.4376 11.00000 0.05 0.19 Q7 1 0.8187 0.7640 0.3215 11.00000 0.05 0.19 Q8 1 0.5912 0.5642 0.3418 11.00000 0.05 0.18 Q9 1 0.2407 0.4862 0.5891 11.00000 0.05 0.17 Q10 1 0.7126 0.5525 0.5488 11.00000 0.05 0.17 Q11 1 0.6924 0.8932 0.3492 11.00000 0.05 0.17 Q12 1 0.6835 0.7516 0.3387 11.00000 0.05 0.16 Q13 1 0.5308 0.6544 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7.42 -4 4 -7 123.33 6.89 4 -4 -7 121.02 7.84 4 -4 -7 104.14 7.28 4 4 -7 117.89 5.58 4 4 -6 11.04 2.42 4 4 -6 9.38 1.68 -4 -4 -6 12.48 2.22 -4 4 -6 13.73 2.46 4 -4 -6 10.09 2.10 4 -4 -6 10.79 2.30 4 4 -5 61.64 4.29 4 4 -5 67.06 5.58 -4 -4 -5 59.67 4.67 -4 4 -5 64.67 5.11 4 -4 -5 60.57 5.44 4 -4 -5 54.68 5.01 4 4 -4 209.41 8.29 4 -4 -4 192.87 9.25 4 -4 -4 209.07 10.06 4 4 -4 197.36 9.61 -4 4 -4 205.06 9.15 4 -4 -3 81.33 5.87 4 4 -3 85.13 6.24 4 4 -3 96.77 5.72 4 -4 -3 85.46 6.40 4 -4 -2 6.69 1.90 4 4 -2 5.52 1.48 4 -4 -2 7.41 1.82 4 4 -2 8.26 1.70 4 -4 -1 4.16 1.76 4 4 -1 6.13 1.65 4 4 -1 4.47 1.77 4 -4 -1 4.00 1.41 4 -4 0 11.84 2.19 4 4 0 10.98 2.38 4 -4 0 10.30 2.00 4 4 0 9.80 1.90 4 -4 1 3.92 1.54 4 4 1 2.54 1.18 4 -4 1 2.98 1.09 4 4 1 3.03 1.50 4 4 2 7.60 1.89 4 -4 2 8.80 1.93 4 4 2 10.90 2.12 4 -4 2 8.13 1.82 4 4 3 95.16 6.52 4 -4 3 77.00 5.36 4 4 3 91.10 6.34 4 -4 3 84.42 6.06 4 4 4 239.47 10.64 4 4 4 200.69 9.53 4 -4 4 213.72 9.01 4 -4 4 214.63 9.66 4 -4 5 58.14 4.79 4 4 5 59.50 5.28 4 4 5 63.70 5.48 4 -4 5 59.84 5.12 4 -4 6 11.98 2.30 4 4 6 10.32 2.23 4 -4 6 12.09 2.24 4 4 6 9.49 2.17 4 4 7 107.90 7.19 4 4 7 100.97 7.06 4 -4 7 108.30 6.93 4 -4 8 13.51 2.53 4 4 8 13.48 2.53 4 4 8 9.61 2.52 4 4 9 66.59 5.87 4 4 9 64.76 5.64 4 -4 9 74.03 5.69 4 4 10 97.62 7.06 4 -4 10 91.60 6.43 4 4 10 81.92 6.76 4 4 11 105.42 7.85 4 4 11 106.86 7.43 4 -4 11 110.88 7.07 4 4 12 101.63 7.31 4 -4 12 91.89 6.62 4 -4 13 22.66 3.27 4 4 13 30.65 3.95 4 4 13 26.32 4.01 4 -4 14 51.94 5.07 4 4 14 53.22 6.02 4 4 14 68.33 6.18 4 4 15 349.94 14.05 4 4 15 339.06 14.93 4 -4 15 334.03 12.83 4 4 16 58.58 5.69 4 4 16 64.94 6.75 4 -4 16 51.28 5.09 4 4 17 0.68 0.61 4 4 17 1.55 1.15 4 4 18 6.08 2.44 4 4 18 9.09 2.69 4 4 19 4.96 2.35 4 4 20 13.17 3.09 -4 4 21 31.67 5.16 4 4 21 47.59 6.01 -4 4 22 9.00 2.26 -4 4 22 8.11 2.50 4 4 22 8.89 2.53 4 4 23 13.23 3.52 4 4 24 0.84 1.45 4 4 25 13.25 3.69 4 4 26 11.85 3.54 4 -5 -27 0.49 0.86 4 -5 -26 2.68 1.05 4 -5 -25 2.26 1.14 -4 -5 -25 2.03 2.10 -4 -5 -24 14.15 3.65 4 -5 -24 6.52 3.40 -4 -5 -23 -1.00 1.77 4 -5 -23 4.04 1.81 4 -5 -22 10.59 2.97 -4 -5 -22 1.91 1.71 -4 -5 -21 -0.28 1.15 4 -5 -21 2.04 1.51 4 -5 -20 4.43 2.04 -4 -5 -20 6.74 2.75 -4 -5 -19 1.04 0.79 4 -5 -19 8.03 3.00 4 -5 -18 12.29 3.41 -4 -5 -18 11.33 3.40 4 -5 -18 8.75 2.73 4 -5 -17 40.94 5.76 4 -5 -17 47.97 6.08 -4 -5 -17 47.35 5.85 4 -5 -16 33.74 4.86 4 -5 -16 31.17 4.65 -4 -5 -16 44.06 5.80 4 -5 -15 62.59 6.65 -4 -5 -15 72.24 7.24 4 -5 -15 65.42 6.80 4 5 -15 70.74 6.64 4 5 -14 3.67 1.95 4 -5 -14 3.41 1.81 -4 -5 -14 7.42 2.86 4 -5 -14 2.85 1.52 4 5 -13 57.13 5.84 4 -5 -13 47.21 5.53 4 -5 -13 55.52 6.19 -4 -5 -13 53.88 5.89 4 5 -12 54.80 5.79 4 -5 -12 50.02 5.58 -4 -5 -12 50.83 5.69 4 -5 -12 52.35 5.76 4 -5 -11 4.52 2.15 4 5 -11 2.43 1.35 -4 5 -11 4.76 1.72 4 -5 -11 5.23 1.82 -4 -5 -11 2.72 1.30 4 -5 -10 24.86 4.20 4 5 -10 30.15 4.22 -4 5 -10 32.40 3.90 -4 -5 -10 28.86 4.15 4 -5 -10 38.97 4.58 4 -5 -9 21.40 3.69 -4 -5 -9 19.58 3.29 -4 5 -9 19.65 3.13 4 5 -9 24.78 3.75 4 -5 -9 15.11 3.20 4 5 -9 26.09 2.94 4 -5 -8 7.71 1.81 4 5 -8 7.70 1.59 -4 5 -8 7.21 1.80 4 5 -8 10.61 2.38 -4 -5 -8 7.54 1.86 4 5 -7 18.24 3.20 4 5 -7 17.94 2.35 -4 -5 -7 18.02 3.05 4 -5 -7 19.62 3.39 4 -5 -7 15.04 3.06 -4 5 -7 11.60 2.28 4 5 -6 5.38 1.79 4 -5 -6 5.82 2.32 -4 -5 -6 4.12 1.53 -4 5 -6 7.18 1.78 4 -5 -6 4.07 1.63 4 5 -6 9.86 2.00 4 5 -5 6.78 1.70 -4 -5 -5 6.71 1.66 4 5 -5 12.99 2.53 4 -5 -5 8.49 2.19 -4 5 -5 10.57 2.52 4 -5 -5 9.84 2.46 -4 -5 -4 36.68 3.70 4 5 -4 43.39 4.32 -4 5 -4 45.29 4.74 4 -5 -4 43.77 4.70 4 5 -4 40.18 4.73 4 -5 -4 44.81 4.99 4 -5 -3 11.44 2.30 4 5 -3 9.97 2.08 -4 5 -3 9.26 2.24 4 5 -3 12.82 2.46 4 -5 -3 13.12 2.74 4 -5 -2 1.77 1.31 4 5 -2 1.82 1.26 4 -5 -2 0.17 0.74 4 5 -2 1.09 0.66 -4 5 -2 1.53 1.17 -4 5 -1 33.94 4.27 4 5 -1 34.94 4.43 4 5 -1 38.17 4.20 4 -5 -1 39.29 4.25 4 -5 -1 37.43 4.57 4 -5 0 13.95 2.56 4 -5 0 16.79 2.80 -4 5 0 16.83 2.91 4 5 0 16.03 2.57 4 5 0 15.95 3.24 4 -5 1 36.43 4.03 4 -5 1 34.93 4.32 4 5 1 41.33 4.68 -4 5 1 35.60 4.42 4 5 1 38.99 4.31 4 -5 2 0.52 0.71 4 -5 2 1.29 1.08 4 5 2 -0.32 0.52 4 5 2 0.17 0.58 4 -5 3 9.32 2.50 4 -5 3 10.86 2.25 4 5 3 13.56 3.12 4 5 3 5.24 1.78 4 5 4 46.80 4.97 4 -5 4 41.60 4.25 4 5 4 52.47 5.28 4 -5 4 49.65 5.08 4 -5 5 10.04 2.26 4 5 5 10.92 2.74 4 5 5 14.25 2.76 4 -5 5 11.99 2.42 4 5 6 9.88 2.40 4 -5 6 6.55 1.86 4 5 6 8.67 2.44 4 -5 6 5.91 1.78 4 5 7 16.52 3.18 4 -5 7 19.52 3.31 4 5 7 14.34 2.90 4 -5 7 16.00 2.63 4 5 8 10.31 2.50 4 5 8 8.94 1.97 4 -5 8 7.12 1.91 4 -5 8 6.43 1.88 4 5 9 20.29 3.24 4 -5 9 21.86 3.35 4 -5 9 17.42 2.93 4 5 9 16.16 3.17 4 5 10 33.76 4.56 4 5 10 30.97 4.19 4 -5 10 26.37 3.99 4 -5 11 1.85 1.31 4 5 11 5.01 1.63 4 5 11 2.72 1.79 4 -5 12 55.90 5.48 4 5 12 47.70 5.79 4 5 12 66.78 6.35 4 5 13 46.09 5.74 4 5 13 49.69 5.65 4 -5 13 54.88 5.39 4 -5 14 1.87 1.47 4 5 14 4.37 1.41 4 5 14 3.39 1.34 4 5 15 69.51 7.01 4 5 15 83.14 7.60 4 -5 15 60.23 5.85 4 5 16 50.21 5.89 -4 5 16 44.58 5.67 4 5 16 42.66 5.55 4 5 17 45.14 5.59 -4 5 17 32.63 5.20 4 5 17 40.85 5.69 4 5 18 11.67 3.38 4 5 18 14.79 3.62 -4 5 18 16.95 3.53 4 5 19 1.99 1.12 4 5 19 2.17 1.24 -4 5 19 4.56 2.50 4 5 20 8.70 2.73 -4 5 20 2.99 2.01 -4 5 21 0.06 0.92 4 5 21 0.17 0.78 4 5 22 3.94 2.07 -4 5 22 6.41 2.73 -4 5 22 5.09 2.41 -4 5 23 0.10 1.41 4 5 23 5.20 2.53 4 5 24 7.56 2.84 4 5 25 0.51 1.73 4 5 26 1.92 1.79 4 5 27 4.14 2.61 -4 -6 -26 3.38 2.18 4 -6 -26 3.99 1.83 4 -6 -25 5.11 3.01 -4 -6 -25 6.43 2.45 -4 -6 -24 9.61 3.19 4 -6 -24 3.99 2.10 -4 -6 -23 10.18 3.31 4 -6 -23 9.55 3.57 -4 -6 -22 3.44 1.86 4 -6 -22 9.68 3.06 -4 -6 -21 31.62 5.22 4 -6 -21 17.08 3.99 -4 -6 -20 67.03 7.61 4 -6 -20 53.01 6.86 4 -6 -19 4.21 2.24 -4 -6 -19 3.10 2.46 4 -6 -18 4.93 2.10 4 -6 -18 3.77 1.36 -4 -6 -18 2.73 1.82 -4 -6 -17 43.93 6.08 4 -6 -17 37.71 5.42 4 -6 -17 32.87 5.27 -4 -6 -16 10.00 2.96 4 -6 -16 10.17 2.75 4 -6 -16 7.81 2.55 -4 -6 -15 190.74 11.88 4 6 -15 207.21 12.07 4 -6 -15 187.34 11.91 4 -6 -15 190.34 12.14 4 6 -14 47.61 5.79 4 -6 -14 61.43 6.88 -4 -6 -14 46.54 6.04 4 -6 -14 40.97 5.71 4 6 -13 11.02 2.64 4 -6 -13 3.86 1.73 4 -6 -13 13.03 3.61 -4 -6 -13 7.03 2.27 4 6 -12 12.87 3.17 4 -6 -12 13.63 3.15 4 -6 -12 19.28 3.84 -4 -6 -12 13.45 2.90 4 6 -11 212.32 11.80 4 -6 -11 211.96 11.83 -4 6 -11 207.25 11.14 -4 -6 -11 212.36 11.77 4 -6 -11 206.61 12.11 4 6 -10 41.47 5.24 -4 -6 -10 40.65 5.01 4 -6 -10 51.37 5.76 4 -6 -10 47.12 5.73 -4 6 -10 41.87 4.97 4 6 -9 96.09 7.81 -4 6 -9 87.34 7.17 -4 -6 -9 91.09 7.32 4 -6 -9 90.72 7.72 4 -6 -9 89.93 7.84 -4 -6 -8 23.81 3.53 4 6 -8 18.46 3.52 -4 6 -8 24.66 3.71 4 6 -8 24.42 3.54 4 -6 -8 22.08 3.69 4 -6 -8 23.64 4.05 4 6 -7 8.07 2.19 4 6 -7 7.88 2.09 -4 -6 -7 5.72 1.84 -4 6 -7 7.35 2.27 4 -6 -7 3.62 1.68 4 -6 -7 6.04 2.08 4 6 -6 86.75 7.42 4 6 -6 79.44 6.19 -4 6 -6 83.58 7.12 -4 -6 -6 89.52 6.59 4 -6 -6 73.48 6.53 4 -6 -6 92.82 7.83 4 6 -5 148.31 9.63 -4 -6 -5 140.94 7.98 -4 6 -5 131.14 8.89 4 6 -5 138.07 8.28 4 -6 -5 138.31 8.84 4 -6 -5 136.33 9.44 4 -6 -4 3.72 2.32 4 6 -4 2.39 0.97 -4 6 -4 3.85 1.72 4 -6 -4 4.54 1.99 -4 -6 -4 2.52 1.47 4 6 -4 4.42 1.54 -4 6 -3 72.03 6.61 4 6 -3 54.83 5.69 4 6 -3 76.18 6.21 4 -6 -3 64.60 5.83 4 -6 -3 78.36 7.11 -4 6 -2 10.99 2.57 4 6 -2 7.17 2.30 4 -6 -2 13.71 3.47 4 -6 -2 14.32 2.88 4 6 -2 15.66 2.88 -4 6 -1 84.30 7.31 4 -6 -1 83.81 6.53 4 6 -1 80.34 7.07 4 6 -1 83.95 6.77 4 -6 -1 88.35 7.41 4 -6 0 111.40 8.16 4 -6 0 106.29 7.25 -4 6 0 118.63 8.56 4 6 0 108.16 7.80 4 6 0 123.76 8.65 4 6 1 84.61 7.24 -4 6 1 74.25 6.71 4 6 1 81.95 7.00 4 -6 1 77.55 6.98 4 -6 1 72.17 5.98 4 -6 2 12.29 2.90 -4 6 2 11.98 3.07 4 -6 2 13.68 2.75 4 6 2 7.72 1.94 4 6 2 14.53 2.99 4 6 3 68.89 6.52 4 6 3 74.30 6.99 4 -6 3 64.99 5.69 -4 6 3 70.19 6.80 4 -6 3 83.12 7.06 4 -6 4 2.33 1.56 4 6 4 0.87 0.75 -4 6 4 3.35 1.83 4 -6 4 2.32 0.66 4 6 4 3.63 1.65 4 6 5 133.33 9.06 4 6 5 132.53 9.27 -4 6 5 136.87 9.37 4 -6 5 135.78 8.07 4 -6 5 148.98 9.25 -4 6 6 82.68 7.36 4 6 6 98.43 7.94 4 6 6 88.55 7.61 4 -6 6 82.92 7.11 4 -6 6 79.03 6.23 4 -6 7 7.66 2.68 4 6 7 7.56 2.24 4 6 7 11.11 2.73 4 -6 7 4.17 1.55 -4 6 7 7.08 2.66 4 6 8 20.19 3.73 4 6 8 23.14 3.76 -4 6 8 22.77 3.76 4 -6 8 21.67 3.63 4 -6 8 19.07 3.18 -4 6 9 90.93 7.96 4 6 9 100.12 8.24 4 6 9 92.35 8.02 4 -6 9 85.92 6.78 4 -6 9 108.23 7.95 4 6 10 46.96 5.66 4 6 10 40.98 5.47 -4 6 10 35.65 5.02 4 -6 10 38.97 4.73 4 -6 10 39.15 4.87 4 6 11 216.98 12.36 -4 6 11 205.06 12.22 4 -6 11 198.59 10.57 4 -6 11 203.26 11.18 4 6 11 219.56 12.42 4 -6 12 14.89 3.08 4 6 12 21.05 4.04 4 6 12 19.74 3.80 -4 6 12 22.68 4.43 4 -6 12 17.09 3.28 4 6 13 12.32 2.75 -4 6 13 7.67 2.65 4 -6 13 7.28 2.18 4 6 13 9.22 2.70 4 6 14 50.40 6.19 4 6 14 46.13 5.95 4 -6 14 39.72 5.23 -4 6 14 47.69 5.94 -4 6 15 201.14 12.71 4 6 15 199.80 12.40 4 6 15 207.53 12.54 -4 6 16 11.09 2.71 4 6 16 10.28 2.59 4 6 16 7.45 2.33 4 6 17 31.93 5.38 -4 6 17 35.79 5.53 4 6 17 35.65 5.31 4 6 18 3.78 1.91 4 6 18 4.43 2.22 -4 6 18 8.64 2.29 4 6 19 3.77 2.09 4 6 19 2.86 1.00 -4 6 19 3.56 1.99 -4 6 20 61.36 7.58 4 6 20 52.80 7.07 -4 6 21 23.89 4.82 4 6 21 17.53 3.87 4 6 22 5.08 2.01 -4 6 22 7.60 3.35 -4 6 22 8.92 2.65 -4 6 23 17.66 4.50 -4 6 23 7.52 2.80 4 6 23 14.14 3.80 -4 6 24 2.76 2.17 4 6 24 14.42 3.79 4 6 25 6.32 2.50 4 6 26 3.45 1.32 -4 -7 -24 1.44 2.47 4 -7 -24 -1.14 1.84 4 -7 -23 -0.80 2.33 -4 -7 -23 -2.10 1.82 -4 -7 -22 0.49 1.87 4 -7 -22 0.29 2.13 -4 -7 -21 1.91 2.15 4 -7 -21 1.14 1.50 -4 -7 -20 12.84 3.97 4 -7 -20 4.85 2.73 4 -7 -19 15.94 3.70 -4 -7 -19 7.43 2.87 4 -7 -18 15.57 3.63 -4 -7 -18 18.72 4.31 4 -7 -18 13.64 3.54 4 -7 -17 7.08 2.33 -4 -7 -17 1.37 1.19 4 -7 -17 5.25 2.29 -4 -7 -16 7.04 3.10 4 -7 -16 11.98 3.40 4 -7 -16 10.68 3.06 4 -7 -15 3.92 2.05 -4 -7 -15 4.01 1.54 4 -7 -15 5.06 2.63 4 7 -14 3.06 1.84 4 -7 -14 6.69 2.93 -4 -7 -14 6.67 3.00 4 -7 -14 1.77 1.72 4 -7 -13 23.16 4.54 4 7 -13 22.22 4.19 -4 -7 -13 27.31 4.66 4 -7 -13 23.15 4.61 4 -7 -12 5.90 2.77 4 7 -12 3.26 1.97 -4 -7 -12 3.56 1.06 4 -7 -12 1.51 1.19 4 7 -11 15.92 3.36 -4 -7 -11 17.38 3.86 4 -7 -11 14.82 3.72 4 -7 -11 19.86 3.88 4 7 -10 38.14 5.41 -4 7 -10 37.45 5.32 -4 -7 -10 44.51 5.37 4 -7 -10 48.96 5.99 4 -7 -10 55.66 6.60 4 7 -9 3.45 2.02 -4 -7 -9 0.45 1.26 -4 7 -9 0.62 1.06 4 -7 -9 1.90 0.81 4 -7 -9 0.66 1.33 -4 7 -8 36.67 5.18 -4 -7 -8 38.67 4.76 4 -7 -8 42.27 5.37 4 -7 -8 37.40 5.52 4 7 -8 49.85 5.88 4 -7 -7 1.05 1.12 4 7 -7 4.87 2.30 -4 -7 -7 0.84 1.02 -4 7 -7 2.36 1.38 4 -7 -7 0.79 0.76 4 7 -6 17.96 3.58 4 7 -6 12.12 2.46 -4 7 -6 17.93 3.63 -4 -7 -6 10.98 2.68 4 -7 -6 16.07 2.87 4 -7 -6 18.91 3.52 4 7 -5 11.00 2.57 -4 -7 -5 7.06 1.98 4 7 -5 10.18 2.82 4 -7 -5 12.02 3.02 4 -7 -5 8.90 2.46 -4 7 -5 8.25 2.34 4 -7 -4 3.30 2.12 -4 7 -4 5.23 1.78 4 7 -4 3.17 1.65 4 -7 -4 6.62 2.21 4 7 -4 5.44 2.08 -4 7 -3 9.16 2.80 4 7 -3 8.30 2.91 4 -7 -3 5.43 2.17 4 7 -3 4.53 1.90 4 -7 -3 4.77 2.21 4 -7 -2 9.31 2.50 4 -7 -2 6.61 1.86 4 7 -2 3.75 1.90 4 7 -2 8.76 1.93 -4 7 -2 6.03 1.85 4 7 -1 2.67 0.67 -4 7 -1 2.04 1.41 4 -7 -1 3.66 1.78 4 -7 -1 1.34 0.97 4 7 0 7.81 2.80 4 7 0 14.33 3.14 4 -7 0 11.09 2.45 -4 7 0 9.74 3.23 4 -7 0 9.30 2.95 4 -7 1 3.85 1.74 4 7 1 7.77 3.15 4 -7 1 5.22 1.99 -4 7 1 4.11 1.82 4 7 1 8.68 2.32 4 -7 2 6.19 2.12 4 7 2 6.32 2.35 4 7 2 6.53 2.51 -4 7 2 4.74 2.38 4 -7 2 8.85 2.84 4 -7 3 8.22 2.59 4 7 3 9.41 2.81 4 -7 3 5.47 1.89 -4 7 3 6.87 2.73 4 7 3 5.92 2.31 4 7 4 1.99 0.74 4 -7 4 2.47 1.07 4 7 4 1.66 1.67 4 -7 4 2.08 1.63 4 7 5 14.98 3.40 4 -7 5 16.77 3.29 4 7 5 13.00 3.00 -4 7 5 12.75 3.18 4 -7 5 17.04 3.58 4 7 6 14.46 3.03 -4 7 6 16.07 3.68 4 7 6 17.72 3.96 4 -7 6 11.25 2.66 4 -7 6 13.71 3.10 4 7 7 1.57 1.66 4 7 7 2.06 0.80 -4 7 7 1.42 1.76 4 -7 7 2.10 2.01 -4 7 8 40.23 5.56 4 7 8 37.43 5.34 4 7 8 36.15 5.28 4 -7 8 37.37 5.11 -4 7 9 0.89 0.79 4 7 9 2.82 1.65 4 7 9 0.75 1.00 4 -7 9 0.34 0.95 4 7 10 49.11 6.21 4 7 10 49.50 6.39 -4 7 10 44.93 5.98 4 -7 10 45.14 5.52 4 7 11 16.54 3.32 4 7 11 19.58 4.03 -4 7 11 22.01 4.62 4 -7 11 17.66 3.44 4 7 12 3.36 1.58 4 -7 12 3.12 1.87 4 7 12 3.46 2.44 -4 7 12 4.29 2.41 4 7 13 20.54 4.61 -4 7 13 25.08 4.76 4 7 13 23.46 4.26 4 7 14 3.60 1.64 4 7 14 1.59 1.16 4 7 15 7.53 3.05 4 7 15 5.29 2.34 -4 7 15 1.43 2.13 4 7 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-2 -9 5.34 1.37 5 -2 -9 4.08 1.21 5 2 -9 4.72 0.76 5 2 -9 4.95 1.28 5 2 -9 4.62 1.31 5 2 -8 52.78 3.75 5 2 -8 56.43 3.06 5 -2 -8 52.60 4.80 5 2 -8 56.08 4.68 5 -2 -8 50.36 4.47 5 2 -7 337.51 7.90 5 -2 -7 346.93 12.37 5 2 -7 339.93 9.17 5 -2 -7 346.20 11.59 5 2 -7 357.89 11.68 5 -2 -6 209.73 9.41 5 2 -6 228.09 7.35 5 2 -6 227.76 6.77 5 -2 -6 213.93 9.04 5 2 -6 222.90 9.19 5 2 -5 51.50 3.43 5 -2 -5 52.43 4.70 5 2 -5 55.89 3.53 5 2 -5 54.45 4.52 5 -2 -5 60.88 4.81 5 -2 -4 50.48 4.32 5 2 -4 53.28 3.51 5 2 -4 44.77 4.06 5 -2 -4 48.79 4.35 5 2 -4 49.57 3.26 5 -2 -3 182.73 8.06 5 -2 -3 181.63 8.31 5 2 -3 172.62 6.55 5 2 -3 185.86 6.34 5 2 -3 181.01 7.94 5 -2 -2 86.20 5.57 5 2 -2 92.24 4.94 5 2 -2 89.58 5.59 5 -2 -2 86.94 5.58 5 2 -2 86.09 4.34 5 2 -1 51.49 4.27 5 2 -1 47.38 3.69 5 -2 -1 53.93 4.39 5 -2 -1 43.34 3.83 5 2 0 249.42 9.27 5 -2 0 254.51 9.52 5 -2 0 261.79 9.59 5 2 0 246.41 8.67 5 2 1 51.54 4.18 5 -2 1 46.80 4.09 5 2 1 45.11 3.70 5 -2 1 45.72 4.01 5 -2 2 84.25 5.48 5 2 2 87.41 5.39 5 -2 2 81.13 5.34 5 2 2 85.42 5.30 5 2 3 195.99 8.08 5 -2 3 169.90 7.83 5 2 3 187.80 8.08 5 2 4 48.04 4.00 5 -2 4 52.25 4.37 5 2 4 46.31 4.12 5 2 5 59.68 4.51 5 -2 5 60.64 4.77 5 2 5 60.34 4.77 5 2 6 225.36 8.66 5 -2 6 209.73 8.90 5 2 6 222.35 9.37 5 2 7 343.47 10.66 5 -2 7 334.21 11.35 5 2 7 348.24 12.07 5 2 8 62.38 4.52 5 -2 8 64.66 5.05 5 2 8 50.29 4.62 5 2 9 7.61 1.94 5 2 9 9.18 1.89 5 -2 9 7.51 1.73 5 -2 10 2.08 1.20 5 2 10 1.41 0.53 5 2 10 1.21 0.62 5 2 11 49.36 4.08 5 -2 11 48.79 4.52 5 2 11 40.89 4.41 5 2 12 12.16 1.96 5 2 12 11.65 2.42 5 -2 12 12.50 2.36 5 2 13 160.46 7.53 5 -2 13 166.00 8.71 5 2 13 168.13 9.52 5 2 14 72.11 5.04 5 2 14 73.81 6.36 5 -2 14 69.91 5.76 5 -2 15 342.04 13.05 5 2 15 350.37 11.17 5 2 15 362.90 14.57 5 2 16 50.37 4.30 5 2 16 52.62 5.54 5 -2 16 46.25 4.97 5 2 17 16.42 3.20 5 -2 17 19.69 2.97 5 2 18 17.17 3.20 5 -2 18 17.07 3.18 5 2 19 88.63 8.08 5 -2 19 76.41 6.67 5 2 20 14.68 3.49 5 2 21 5.43 1.94 5 2 22 4.84 2.09 5 2 23 22.60 4.06 5 2 24 3.59 1.13 5 -3 -29 6.60 2.50 5 -3 -28 11.09 3.61 5 -3 -27 38.93 6.13 5 -3 -26 7.34 1.98 5 -3 -25 45.85 6.73 5 -3 -24 2.34 2.15 5 -3 -23 -1.44 1.60 5 -3 -22 58.52 7.00 5 -3 -21 70.56 7.53 5 -3 -20 33.49 5.31 5 -3 -19 66.07 6.76 5 -3 -19 62.79 6.84 5 -3 -18 9.67 2.94 5 -3 -18 8.57 2.55 5 -3 -17 17.78 3.21 5 -3 -17 9.63 2.85 5 3 -17 15.58 2.86 5 -3 -16 87.20 7.29 5 3 -16 102.04 7.33 5 -3 -16 82.26 7.56 5 -3 -15 297.82 13.87 5 3 -15 302.64 12.56 5 -3 -15 288.94 12.73 5 3 -14 62.57 5.03 5 -3 -14 58.07 5.91 5 -3 -14 52.24 5.30 5 3 -14 67.92 5.85 5 3 -13 10.57 2.51 5 -3 -13 11.47 2.34 5 3 -13 8.16 1.77 5 -3 -13 8.57 2.31 5 -3 -12 41.10 4.65 5 3 -12 41.39 4.58 5 3 -12 38.47 3.61 5 -3 -12 45.85 5.11 5 3 -11 77.50 6.06 -5 3 -11 67.75 4.16 5 3 -11 82.37 4.77 5 -3 -11 75.21 6.51 5 -3 -11 71.29 6.12 5 -3 -10 122.92 7.87 5 3 -10 117.11 3.94 5 -3 -10 120.96 8.11 5 3 -10 112.79 5.35 -5 3 -10 122.44 5.74 5 3 -10 125.80 7.52 5 3 -9 36.92 2.93 5 -3 -9 31.77 3.85 5 -3 -9 37.87 4.38 5 3 -9 29.40 2.18 5 3 -9 37.84 4.20 5 3 -8 6.18 1.21 5 -3 -8 12.04 2.41 5 3 -8 13.55 2.41 5 -3 -8 6.65 1.92 5 3 -8 8.82 1.35 5 3 -7 85.01 4.35 5 3 -7 91.00 4.13 5 -3 -7 83.93 6.25 5 3 -7 83.67 6.09 5 -3 -7 84.85 6.36 5 3 -6 304.84 11.51 5 3 -6 314.24 8.72 5 3 -6 309.86 7.32 5 -3 -6 327.08 12.28 5 -3 -6 314.53 11.86 5 3 -5 324.00 9.23 5 -3 -5 336.52 12.32 5 3 -5 330.18 7.51 5 3 -5 323.25 11.83 5 -3 -5 319.23 11.91 5 3 -4 151.00 8.03 5 3 -4 163.80 6.94 5 -3 -4 155.16 8.19 5 3 -4 156.03 5.13 5 -3 -4 148.79 8.10 5 -3 -3 113.02 7.00 5 -3 -3 119.71 7.20 5 3 -3 112.77 5.88 5 3 -3 120.11 7.09 5 3 -3 107.18 4.42 5 3 -2 262.32 10.36 5 -3 -2 278.21 10.86 5 3 -2 267.18 9.18 5 -3 -2 271.88 10.57 5 -3 -1 867.22 19.20 5 3 -1 850.42 18.72 5 3 -1 871.64 17.01 5 -3 -1 902.43 18.92 5 -3 0 606.88 16.06 5 3 0 615.08 14.62 5 -3 0 637.77 15.93 5 3 0 608.32 15.86 5 -3 1 831.81 18.73 5 3 1 861.55 18.90 5 3 1 873.64 18.01 5 -3 1 890.71 18.71 5 -3 2 272.90 10.57 5 3 2 274.42 10.66 5 3 2 258.34 9.98 5 -3 2 266.07 10.17 5 3 3 111.84 6.88 5 -3 3 119.85 6.98 5 -3 3 109.04 6.56 5 3 3 94.44 6.13 5 3 4 147.10 7.88 5 3 4 141.88 7.68 5 -3 4 160.85 8.19 5 -3 4 163.84 8.02 5 3 5 317.47 11.39 5 -3 5 322.67 11.69 5 3 5 326.03 11.95 5 3 6 327.81 11.64 5 -3 6 313.45 11.41 5 3 6 301.25 11.72 5 3 7 83.92 5.91 5 -3 7 86.58 6.10 5 3 7 86.32 6.33 5 3 8 10.95 2.63 5 -3 8 8.79 1.94 5 3 8 13.51 2.42 5 3 9 28.43 3.39 5 -3 9 27.77 3.51 5 3 9 26.77 3.70 5 -3 10 124.00 7.52 5 3 10 105.45 7.42 5 3 10 130.01 7.53 5 3 11 70.13 5.49 5 3 11 73.54 6.31 5 -3 11 74.69 5.96 5 3 12 41.23 4.27 5 -3 12 37.98 4.23 5 3 12 35.19 4.41 5 3 13 13.42 2.57 5 -3 13 10.71 2.29 5 3 13 12.25 3.00 5 3 14 72.19 6.54 5 3 14 52.95 4.97 5 -3 14 66.15 5.80 5 -3 15 283.01 12.21 5 3 15 274.55 11.59 5 -3 16 86.01 6.86 5 3 16 83.21 7.44 5 3 16 86.49 6.53 5 3 17 13.10 2.54 5 3 17 14.55 3.03 5 -3 17 12.34 2.93 5 3 18 7.11 2.52 5 -3 18 11.58 2.74 5 3 19 74.83 7.63 5 3 20 28.44 4.50 5 3 21 75.68 7.67 5 3 22 69.13 7.65 5 3 23 0.61 1.21 5 3 24 4.80 2.65 5 3 25 52.55 7.25 5 3 26 9.76 3.76 5 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4 -8 16.32 1.99 -5 4 -8 16.97 2.66 5 -4 -8 15.11 2.96 5 -4 -8 20.53 3.36 5 4 -7 36.47 4.32 5 -4 -7 43.26 4.75 -5 4 -7 41.85 4.08 5 -4 -7 38.62 4.45 5 4 -7 39.10 3.41 5 4 -6 126.49 7.94 5 -4 -6 120.32 7.70 5 4 -6 126.15 6.23 5 -4 -6 128.78 8.25 5 4 -5 49.72 4.94 5 -4 -5 44.29 4.65 5 4 -5 42.11 1.86 5 4 -5 46.15 3.93 5 -4 -5 42.50 4.70 5 4 -4 50.99 4.95 5 4 -4 48.96 2.32 5 4 -4 57.49 4.53 5 -4 -4 58.59 5.32 5 -4 -3 4.57 1.53 5 4 -3 4.53 1.28 5 4 -3 3.95 0.76 5 4 -3 4.54 1.64 5 -4 -3 3.51 1.14 5 4 -2 14.43 2.74 5 4 -2 20.00 2.83 5 -4 -2 19.29 3.06 5 -4 -2 12.42 2.30 5 -4 -1 4.48 1.64 5 4 -1 3.52 0.96 5 4 -1 6.09 1.73 5 -4 -1 3.04 1.27 5 4 0 79.62 6.19 5 -4 0 72.04 5.67 5 -4 0 73.84 5.97 5 4 0 89.49 6.04 5 4 1 3.42 1.67 5 -4 1 1.73 1.02 5 4 1 2.43 1.08 5 -4 1 4.10 1.48 5 4 2 23.84 3.54 5 -4 2 16.87 2.63 5 -4 2 15.00 2.78 5 4 2 21.21 3.06 5 4 3 4.02 1.87 5 4 3 5.94 1.81 5 -4 3 4.38 1.77 5 -4 3 4.44 1.75 5 -4 4 63.22 5.47 5 4 4 56.82 5.41 5 -4 4 57.35 4.96 5 4 4 51.31 5.01 5 -4 5 47.75 4.79 5 4 5 46.11 4.87 5 -4 5 43.43 4.50 5 4 5 53.42 5.18 5 4 6 118.54 7.63 5 -4 6 147.81 8.44 5 -4 6 128.00 7.63 5 4 6 122.97 8.03 5 4 7 46.48 4.93 5 -4 7 44.10 4.63 5 4 7 41.44 4.82 5 4 8 13.21 2.83 5 -4 8 12.19 2.41 5 -4 9 68.36 5.92 5 4 9 85.26 6.73 5 4 9 76.57 6.55 5 4 10 8.49 2.33 5 4 10 5.81 1.71 5 -4 10 4.02 1.50 5 -4 11 23.87 3.46 5 4 11 24.86 3.80 5 4 11 24.85 3.67 5 -4 12 82.38 6.49 5 4 12 87.58 6.97 5 4 12 70.82 6.57 5 -4 13 55.17 5.33 5 4 13 53.17 5.42 5 4 13 42.76 5.29 5 4 14 11.17 2.46 5 4 14 4.55 1.41 5 -4 14 9.41 2.26 5 -4 15 16.11 2.95 5 4 15 15.05 3.27 5 4 15 16.43 3.22 5 -4 16 44.99 5.13 5 4 16 46.67 5.46 5 4 16 50.87 5.92 5 4 17 129.79 8.94 5 4 17 127.70 9.66 5 4 18 6.65 2.43 5 4 18 4.42 1.72 5 4 19 1.77 1.47 5 4 20 28.13 4.78 5 4 21 14.33 3.54 5 4 22 6.10 1.69 5 4 23 12.57 3.70 5 4 24 10.78 3.26 5 4 25 1.96 1.88 5 4 26 -0.24 1.81 5 -5 -27 4.70 2.64 5 -5 -26 2.00 1.88 5 -5 -25 3.59 2.50 5 -5 -24 14.61 4.25 5 -5 -23 -0.53 1.66 5 -5 -22 1.07 1.41 5 -5 -21 22.25 4.17 5 -5 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12.55 2.37 5 -5 -7 12.06 2.72 5 5 -7 11.34 2.21 5 -5 -7 13.56 2.82 5 5 -6 175.60 9.93 -5 5 -6 167.64 9.43 5 -5 -6 163.98 9.68 5 -5 -6 168.81 10.13 5 5 -6 168.65 8.10 5 5 -5 96.29 7.40 5 5 -5 87.52 6.03 -5 5 -5 110.78 7.52 5 -5 -5 100.96 7.41 5 -5 -5 95.75 7.60 5 -5 -4 2.08 1.51 5 5 -4 5.05 1.91 5 5 -4 7.17 1.87 -5 5 -4 5.51 1.75 5 -5 -4 6.70 1.85 5 5 -3 27.43 3.52 5 5 -3 18.53 3.25 5 -5 -3 19.99 3.42 -5 5 -3 26.23 3.77 5 5 -2 20.38 3.10 5 5 -2 22.99 3.52 5 -5 -2 23.45 3.52 5 -5 -1 34.40 4.36 5 5 -1 35.68 4.26 5 5 -1 40.03 4.38 5 -5 -1 44.02 4.98 5 5 0 127.36 8.47 5 5 0 118.09 7.59 5 -5 0 113.31 7.54 5 -5 0 119.74 8.34 5 5 1 36.77 4.49 5 5 1 38.44 4.33 5 -5 1 39.98 4.39 5 -5 1 41.03 4.73 5 5 2 17.74 3.01 5 5 2 23.05 3.50 5 -5 2 21.75 3.30 5 -5 2 14.97 2.95 5 -5 3 25.81 3.41 5 5 3 30.28 3.93 5 5 3 21.74 3.52 5 -5 3 26.99 3.90 5 -5 4 9.57 2.29 5 5 4 9.63 2.13 5 5 4 4.26 1.67 5 -5 4 8.88 2.28 5 5 5 95.49 7.39 5 5 5 82.74 6.94 5 -5 5 103.74 7.68 5 -5 5 98.57 6.96 5 5 6 162.98 9.83 5 5 6 157.88 9.55 5 -5 6 166.93 9.09 5 -5 6 163.06 9.48 5 5 7 19.14 3.61 5 5 7 18.93 3.46 5 -5 7 16.73 2.78 5 -5 7 19.05 3.16 5 5 8 14.44 3.14 5 5 8 19.55 3.42 5 -5 8 12.34 2.56 5 -5 8 13.60 2.49 5 5 9 61.39 6.10 5 5 9 58.09 5.87 5 -5 9 72.70 6.16 5 -5 9 57.00 5.67 5 5 10 20.63 3.76 5 5 10 23.25 3.68 5 -5 10 28.68 4.10 5 5 11 103.39 7.99 5 5 11 100.86 8.24 5 -5 11 107.30 7.90 5 5 12 21.40 3.72 5 -5 12 17.95 3.41 5 5 12 17.72 3.82 5 5 13 1.60 1.03 5 5 13 1.42 1.28 5 -5 13 1.23 1.40 5 5 14 30.47 4.43 5 5 14 31.58 4.85 5 -5 14 30.19 4.23 5 5 15 70.49 6.75 5 5 15 84.88 7.79 5 -5 15 69.89 6.48 5 5 16 0.20 1.32 5 -5 16 0.95 0.71 5 5 16 -0.44 0.76 5 5 17 32.64 4.94 5 5 17 22.64 4.23 5 5 18 5.64 2.25 5 5 18 2.69 1.52 5 5 19 6.72 2.24 -5 5 20 45.97 6.48 5 5 20 52.41 6.47 5 5 21 30.59 4.87 -5 5 21 17.30 4.20 -5 5 22 1.06 2.01 5 5 22 1.08 1.35 5 5 23 3.51 1.96 -5 5 23 1.24 1.31 -5 5 23 2.70 1.92 5 5 24 16.87 3.68 5 5 25 7.43 3.30 5 5 26 1.88 1.41 5 5 27 2.24 1.62 5 -6 -25 1.75 1.84 5 -6 -24 3.21 3.11 5 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50.46 4.84 6 -4 1 47.18 4.95 6 -4 2 69.82 5.98 6 4 2 74.13 6.25 6 -4 2 69.91 5.79 6 4 2 69.05 5.63 6 -4 3 101.41 7.32 6 -4 3 112.19 7.39 6 4 3 112.53 7.73 6 4 3 99.11 7.02 6 4 4 0.50 1.20 6 -4 4 1.19 0.48 6 -4 4 1.95 1.37 6 4 4 0.50 1.05 6 -4 5 261.42 11.71 6 4 5 276.94 12.12 6 -4 5 288.02 12.17 6 4 5 289.55 12.25 6 -4 6 34.10 4.33 6 -4 6 42.31 4.68 6 4 6 38.09 4.46 6 4 6 36.85 4.31 6 4 7 16.42 2.76 6 -4 7 11.66 2.61 6 4 7 10.51 2.76 6 -4 8 271.84 12.07 6 4 8 262.88 11.83 6 4 8 267.81 12.36 6 -4 9 54.47 5.47 6 4 9 50.71 5.32 6 4 9 52.56 5.59 6 4 10 17.89 3.29 6 -4 10 17.57 2.99 6 4 10 13.50 2.92 6 4 11 61.57 5.83 6 -4 11 58.95 5.70 6 4 11 72.64 6.82 6 4 12 193.49 10.56 6 -4 12 186.82 10.43 6 4 12 199.89 11.47 6 4 13 41.30 4.86 6 -4 13 37.92 4.80 6 4 13 33.39 4.66 6 4 14 8.55 2.21 6 -4 14 6.43 1.83 6 4 14 6.83 2.19 6 4 15 19.65 3.31 6 -4 15 18.22 3.24 6 4 15 20.88 3.72 6 4 16 10.96 2.92 6 -4 16 11.89 2.78 6 4 16 12.25 3.07 6 4 17 19.41 3.43 6 -4 17 15.49 3.15 6 4 17 24.95 4.12 6 4 18 107.24 9.07 6 4 19 -0.14 1.31 6 4 20 6.92 2.37 6 4 21 12.68 3.12 6 4 22 12.26 3.29 6 4 23 8.74 3.11 6 4 24 26.10 4.94 6 4 25 8.90 3.17 6 4 26 2.48 2.11 6 4 27 3.84 2.39 6 -5 -26 5.23 2.16 6 -5 -25 8.56 2.92 6 -5 -24 0.15 2.02 6 -5 -23 2.70 2.74 6 -5 -22 5.33 2.37 6 -5 -21 2.85 1.31 6 -5 -21 2.59 1.86 6 -5 -20 -0.24 1.29 6 -5 -20 3.38 2.06 6 -5 -19 1.30 1.39 6 -5 -19 3.32 1.72 6 -5 -18 2.97 1.95 6 -5 -18 0.57 2.32 6 -5 -17 12.65 3.28 6 -5 -17 15.87 3.57 6 5 -16 4.60 1.90 6 -5 -16 3.53 2.02 6 -5 -16 8.04 2.68 6 5 -15 9.09 2.58 6 -5 -15 8.89 2.26 6 -5 -15 13.12 3.20 6 5 -14 8.80 2.69 6 -5 -14 14.36 3.27 6 -5 -14 5.78 3.12 6 -5 -13 40.71 5.35 6 -5 -13 27.83 4.71 6 5 -13 37.90 4.99 6 5 -12 3.25 1.90 6 -5 -12 3.90 1.25 6 -5 -12 4.99 2.13 6 5 -11 1.67 1.39 6 -5 -11 4.56 2.25 6 -5 -11 2.07 0.87 6 5 -10 5.09 2.32 -6 5 -10 3.22 1.28 6 -5 -10 3.97 1.79 6 -5 -10 2.09 1.71 6 5 -9 22.29 3.62 6 -5 -9 11.81 2.88 -6 5 -9 13.71 2.58 6 -5 -9 14.68 2.93 6 5 -8 13.00 2.70 6 5 -8 13.13 2.42 -6 5 -8 5.55 2.04 6 -5 -8 17.04 3.27 6 -5 -8 13.63 3.14 6 5 -7 6.44 1.97 -6 5 -7 7.73 1.74 6 5 -7 5.50 1.53 6 -5 -7 4.42 1.94 6 -5 -7 8.51 2.48 6 -5 -6 5.61 1.98 6 5 -6 5.43 1.52 6 -5 -6 4.07 2.33 -6 5 -6 4.78 1.46 6 5 -6 3.08 1.16 6 -5 -5 15.92 3.17 6 5 -5 14.11 2.97 6 5 -5 23.42 3.35 6 -5 -5 19.27 3.72 6 5 -4 42.90 5.03 6 -5 -4 39.46 4.80 6 5 -4 40.49 4.32 6 -5 -4 37.10 4.80 6 5 -3 51.56 5.39 6 -5 -3 46.71 5.32 6 5 -3 47.47 4.81 6 -5 -3 45.84 5.22 6 5 -2 34.87 4.54 6 -5 -2 26.15 3.80 6 5 -2 36.06 4.31 6 -5 -2 30.96 4.30 6 -5 -1 10.04 2.98 6 -5 -1 7.64 2.10 6 5 -1 9.48 2.37 6 5 -1 7.78 2.47 6 -5 0 5.06 1.59 6 5 0 7.35 1.89 6 5 0 4.27 1.88 6 -5 0 9.66 2.57 6 -5 1 6.51 2.09 6 5 1 14.33 2.62 6 5 1 16.29 3.06 6 -5 1 10.69 2.51 6 5 2 42.96 4.88 6 -5 2 32.00 4.17 6 -5 2 30.21 4.23 6 5 2 29.88 3.92 6 5 3 49.44 5.46 6 -5 3 38.37 4.56 6 5 3 39.18 4.62 6 -5 3 44.36 5.02 6 5 4 35.81 4.71 6 -5 4 44.79 4.95 6 5 4 42.27 4.87 6 -5 4 36.38 4.56 6 -5 5 19.17 3.00 6 5 5 20.44 3.46 6 -5 5 20.37 3.68 6 5 5 29.24 4.21 6 -5 6 4.21 1.34 6 5 6 4.93 1.89 6 5 6 10.15 2.41 6 -5 6 5.73 2.17 6 -5 7 11.77 2.82 6 5 7 5.55 1.98 6 5 7 6.49 2.18 6 -5 7 11.69 2.68 6 5 8 13.13 2.99 6 -5 8 11.28 2.62 6 5 8 13.28 3.12 6 -5 8 17.14 3.32 6 5 9 12.17 2.96 6 -5 9 13.31 2.46 6 5 9 16.37 3.17 6 -5 9 14.51 3.15 6 5 10 6.91 2.13 6 -5 10 2.47 0.76 6 5 10 5.35 1.97 6 5 11 4.01 1.56 6 5 11 7.11 2.27 6 -5 11 2.23 1.29 6 5 12 5.76 1.80 6 5 12 4.55 1.68 6 -5 12 4.80 1.89 6 5 13 33.90 4.84 6 5 13 36.13 4.98 6 -5 13 32.68 4.83 6 5 14 9.16 2.68 6 -5 14 9.20 3.02 6 5 14 5.30 2.22 6 5 15 6.37 2.86 6 -5 15 6.86 2.67 6 5 15 8.00 2.68 6 5 16 0.67 1.08 6 -5 16 3.34 2.26 6 5 16 6.16 2.73 6 5 17 9.76 2.60 6 5 17 10.49 3.12 6 5 18 2.85 1.79 6 5 18 5.52 2.60 6 5 19 1.44 2.17 6 5 20 1.42 1.41 6 5 21 8.25 3.14 6 5 22 7.82 2.92 -6 5 22 3.41 1.81 6 5 23 -0.90 1.96 -6 5 23 -0.92 1.72 6 5 24 2.30 1.71 6 5 25 6.27 2.74 6 5 26 2.79 2.26 6 -6 -25 9.69 3.75 6 -6 -24 10.36 3.15 6 -6 -23 6.58 3.09 6 -6 -22 46.39 6.83 6 -6 -21 9.67 3.19 6 -6 -21 13.10 3.78 6 -6 -20 3.33 2.57 6 -6 -20 1.33 2.28 6 -6 -19 11.99 3.40 6 -6 -19 9.19 2.81 6 -6 -18 74.59 8.11 6 -6 -18 74.78 8.16 6 -6 -17 9.06 2.92 6 -6 -17 6.95 2.31 6 6 -16 2.06 2.25 6 -6 -16 0.12 1.44 6 -6 -16 -1.32 1.60 6 6 -15 8.08 3.10 6 -6 -15 3.30 1.16 6 -6 -15 9.60 2.73 6 6 -14 0.99 1.92 6 -6 -14 2.54 2.01 6 -6 -14 0.47 0.83 6 6 -13 8.34 2.62 6 -6 -13 5.26 2.14 6 -6 -13 8.00 2.36 6 6 -12 84.34 7.85 6 -6 -12 78.14 7.53 6 -6 -12 75.86 7.61 6 -6 -11 11.12 2.68 6 6 -11 15.23 3.50 6 -6 -11 15.95 3.67 6 -6 -10 4.04 2.26 -6 6 -10 2.63 1.92 6 6 -10 0.89 0.96 6 -6 -10 6.25 2.70 6 6 -9 16.02 3.59 -6 6 -9 12.38 2.81 6 -6 -9 20.52 3.57 6 -6 -9 16.06 3.62 6 6 -8 206.56 11.99 -6 6 -8 193.50 11.14 6 -6 -8 216.46 12.12 6 -6 -8 187.61 11.73 6 6 -7 26.27 4.24 6 -6 -7 27.18 4.43 -6 6 -7 29.87 4.36 6 6 -7 32.86 4.34 6 -6 -7 28.37 4.52 6 6 -6 -1.09 0.74 6 -6 -6 0.70 0.99 6 6 -6 -0.12 0.83 -6 6 -6 0.88 1.27 6 -6 -6 0.46 1.20 6 6 -5 22.08 3.88 -6 6 -5 22.41 3.72 6 -6 -5 31.32 4.77 6 -6 -5 29.30 4.59 6 6 -5 21.78 3.39 6 6 -4 69.17 6.89 -6 6 -4 95.36 7.85 6 -6 -4 84.78 7.34 6 6 -4 92.34 7.05 6 -6 -4 90.65 8.00 -6 6 -3 5.82 2.30 6 6 -3 -0.63 1.67 6 6 -3 0.82 1.45 6 -6 -3 4.57 1.88 6 -6 -3 3.75 1.45 -6 6 -2 168.32 10.39 6 -6 -2 151.87 9.69 6 6 -2 155.82 10.09 6 -6 -2 164.56 10.57 6 6 -2 175.98 10.03 6 6 -1 34.31 4.69 -6 6 -1 27.14 4.32 6 -6 -1 35.12 4.65 6 -6 -1 36.35 4.97 6 6 -1 33.71 4.41 6 6 0 3.32 1.64 6 6 0 3.38 1.50 6 -6 0 3.23 1.66 6 -6 0 2.78 1.36 6 6 1 29.65 4.27 6 6 1 26.90 4.13 6 -6 1 33.98 4.59 6 -6 1 26.49 4.27 6 6 2 165.24 10.05 6 -6 2 182.39 10.86 6 6 2 166.54 10.47 6 -6 2 165.12 10.19 6 -6 3 1.68 1.47 6 6 3 0.11 1.13 6 6 3 2.58 1.83 6 -6 3 -0.11 1.11 6 6 4 83.26 7.26 6 6 4 91.13 7.78 6 -6 4 94.31 7.57 6 -6 4 84.26 7.41 6 6 5 23.87 3.67 6 6 5 23.87 3.88 6 -6 5 25.88 4.05 6 -6 5 15.78 3.38 6 -6 6 1.59 1.67 6 6 6 2.73 1.82 6 6 6 0.23 0.91 6 -6 6 0.75 1.42 6 6 7 34.19 4.85 6 -6 7 27.80 4.06 6 -6 7 28.99 4.75 6 6 7 30.24 4.66 6 6 8 181.86 11.35 6 -6 8 181.51 11.09 6 -6 8 199.10 11.17 6 6 8 203.18 11.84 6 -6 9 14.52 2.85 6 6 9 22.57 4.25 6 -6 9 13.87 3.18 6 6 9 20.18 3.71 6 -6 10 0.95 1.64 6 -6 10 0.87 1.04 6 6 10 0.71 2.05 6 6 10 2.55 1.95 6 -6 11 13.60 3.54 6 6 11 14.83 3.26 6 6 11 17.28 3.61 6 -6 11 16.82 3.49 6 6 12 72.55 7.38 6 -6 12 65.29 6.80 6 6 12 88.86 8.28 6 -6 12 75.90 7.32 6 6 13 11.90 3.31 6 -6 13 7.16 2.24 6 6 13 7.62 2.32 6 -6 13 10.98 2.94 6 6 14 0.13 1.63 6 -6 14 3.13 2.29 6 6 14 2.06 1.82 6 6 15 2.08 1.31 6 -6 15 5.87 2.26 6 6 15 0.99 1.59 6 6 16 0.51 1.98 6 6 16 1.41 1.51 6 6 17 5.76 1.86 -6 6 17 11.11 3.33 6 6 17 9.24 2.84 6 6 18 77.46 8.22 -6 6 18 69.80 8.02 6 6 18 86.97 8.75 -6 6 19 5.21 2.28 6 6 19 8.05 3.25 -6 6 20 2.44 2.06 6 6 20 -0.93 0.95 6 6 21 14.30 3.75 -6 6 21 18.36 4.83 -6 6 22 43.46 6.89 6 6 22 39.41 6.03 6 6 23 6.47 2.95 -6 6 23 3.71 2.51 6 6 24 15.52 3.80 6 6 25 7.72 2.58 6 -7 -23 1.76 1.76 6 -7 -22 2.17 1.58 6 -7 -21 13.97 4.01 6 -7 -20 6.90 2.13 6 -7 -20 5.23 2.34 6 -7 -19 12.24 3.62 6 -7 -19 8.46 3.17 6 -7 -18 13.06 2.61 6 -7 -18 14.07 3.36 6 -7 -17 -1.02 1.16 6 -7 -17 9.23 2.92 6 -7 -16 11.39 3.70 6 -7 -16 4.67 2.04 6 7 -15 6.72 2.19 6 -7 -15 10.96 3.18 6 7 -14 4.87 2.17 6 -7 -14 4.33 2.44 6 -7 -14 6.56 2.34 6 -7 -13 14.11 3.73 6 7 -13 20.73 3.96 6 -7 -13 11.71 3.22 6 -7 -12 9.45 2.72 6 7 -12 7.42 2.89 6 -7 -12 6.68 2.89 6 7 -11 2.16 1.67 6 -7 -11 3.53 2.11 6 -7 -11 2.23 1.65 6 -7 -10 20.88 4.05 6 7 -10 9.88 2.78 6 -7 -10 18.05 3.97 6 -7 -9 3.90 1.84 6 7 -9 4.33 2.11 6 -7 -9 2.48 1.73 -6 7 -9 3.17 2.56 6 7 -8 33.38 5.10 -6 7 -8 27.55 4.52 6 -7 -8 33.69 4.82 6 -7 -8 31.00 4.86 6 7 -7 6.30 2.03 -6 7 -7 6.27 2.24 6 -7 -7 3.59 2.07 6 -7 -7 7.14 2.70 6 7 -6 -1.14 0.82 6 7 -6 2.84 1.84 -6 7 -6 4.44 2.64 6 -7 -6 5.75 2.10 6 -7 -6 3.30 2.04 6 -7 -5 12.20 3.26 6 7 -5 13.58 3.38 6 7 -5 8.48 2.24 -6 7 -5 14.67 3.08 6 -7 -5 11.14 2.85 -6 7 -4 40.66 5.33 6 7 -4 45.69 6.06 6 -7 -4 58.85 6.84 6 -7 -4 52.08 6.09 6 7 -4 48.04 5.53 6 7 -3 20.22 4.16 6 7 -3 16.24 3.26 -6 7 -3 24.52 4.34 6 -7 -3 19.75 3.85 6 -7 -3 18.97 4.15 6 7 -2 64.47 6.57 6 7 -2 59.02 6.81 6 -7 -2 62.90 6.51 -6 7 -2 69.40 7.18 6 -7 -2 58.99 6.74 6 7 -1 7.60 2.30 6 -7 -1 0.68 1.24 6 7 -1 8.10 2.62 6 -7 -1 7.37 2.00 -6 7 -1 9.25 2.34 6 7 0 1.74 1.98 6 7 0 1.96 1.13 -6 7 0 2.60 2.27 6 -7 0 1.42 1.48 6 -7 0 1.85 1.21 6 -7 1 6.60 2.35 6 7 1 7.92 2.77 6 7 1 6.50 2.51 6 -7 1 5.08 1.74 -6 7 1 0.62 0.70 6 7 2 58.28 6.57 6 -7 2 60.99 6.84 -6 7 2 58.62 6.66 6 -7 2 59.45 6.26 6 7 2 57.16 6.12 6 -7 3 19.28 3.85 6 7 3 32.92 4.64 6 7 3 27.15 4.56 -6 7 3 20.71 4.32 6 -7 3 17.41 3.17 6 7 4 52.45 6.00 6 7 4 55.11 6.49 -6 7 4 52.72 6.40 6 -7 4 46.75 5.79 6 -7 4 41.20 5.36 -6 7 5 7.29 2.53 6 -7 5 11.46 3.09 6 7 5 16.83 3.66 6 7 5 11.32 3.05 6 -7 5 9.27 2.87 -6 7 6 0.85 0.92 6 -7 6 7.11 1.56 6 7 6 4.59 1.62 6 7 6 5.22 2.03 6 -7 6 3.95 1.87 6 -7 7 6.17 1.95 6 7 7 5.74 2.26 -6 7 7 6.01 2.92 6 7 7 6.66 2.25 6 -7 7 5.49 2.53 6 7 8 27.56 4.40 6 7 8 33.65 5.28 6 -7 8 30.37 4.66 6 -7 8 33.80 5.12 -6 7 8 29.66 4.79 6 -7 9 3.21 2.36 6 7 9 2.61 1.98 6 7 9 3.35 0.62 -6 7 9 3.32 1.64 6 -7 9 2.97 1.24 6 -7 10 18.14 3.56 -6 7 10 10.67 2.74 6 7 10 15.07 3.69 6 -7 11 3.08 1.79 6 7 11 7.01 2.43 -6 7 11 3.86 2.52 6 7 11 2.27 1.24 6 -7 12 5.02 2.04 6 7 12 5.13 2.48 6 7 12 5.79 1.74 -6 7 12 6.66 2.59 6 -7 13 15.26 3.50 6 7 13 8.02 2.88 6 7 13 20.47 4.26 -6 7 13 20.18 4.27 -6 7 14 5.56 2.17 6 7 14 6.93 2.84 6 7 14 8.90 3.24 6 7 15 8.50 3.24 6 7 15 8.57 2.82 -6 7 15 14.68 4.11 6 7 16 3.59 1.95 6 7 16 8.51 3.64 -6 7 16 10.07 3.54 6 7 17 5.49 2.33 6 7 17 5.43 1.77 -6 7 17 -0.51 0.99 6 7 18 7.96 2.17 -6 7 18 13.68 3.70 6 7 18 15.80 3.56 -6 7 19 6.66 2.92 6 7 19 6.69 2.20 -6 7 20 7.42 2.71 6 7 20 6.44 2.85 6 7 21 10.12 2.91 -6 7 21 6.86 2.96 6 7 22 0.75 0.88 -6 7 22 4.36 2.91 -6 7 23 1.24 2.09 6 7 23 3.72 2.60 6 -8 -21 8.24 2.99 6 -8 -20 2.17 1.57 6 -8 -20 0.16 1.29 6 -8 -19 6.98 2.86 6 -8 -19 7.82 3.58 6 -8 -18 17.46 4.38 6 -8 -18 19.81 4.16 6 -8 -17 6.18 2.50 6 -8 -17 6.10 2.18 6 -8 -16 8.21 2.62 6 -8 -16 5.67 1.65 6 -8 -15 13.48 3.53 6 -8 -15 4.72 2.30 6 8 -14 10.07 3.13 6 -8 -14 15.90 3.81 6 -8 -14 16.07 3.84 6 -8 -13 22.26 4.43 6 -8 -13 19.30 4.47 6 8 -13 17.80 4.32 6 8 -12 20.97 4.74 6 -8 -12 19.53 4.29 6 -8 -12 21.83 4.39 6 8 -11 12.57 3.99 6 -8 -11 14.68 3.49 6 -8 -11 12.19 3.10 6 8 -10 4.37 2.39 6 -8 -10 9.80 2.62 6 -8 -10 7.50 1.81 6 8 -9 4.68 2.22 6 -8 -9 9.71 2.31 6 -8 -9 5.32 2.63 6 8 -8 54.81 6.69 -6 8 -8 42.16 5.95 6 -8 -8 49.73 6.80 6 -8 -8 50.12 6.26 -6 8 -7 14.41 3.54 6 8 -7 23.66 4.29 6 -8 -7 20.79 4.20 6 -8 -7 25.28 4.74 6 -8 -6 5.22 2.16 6 8 -6 6.72 2.28 -6 8 -6 7.55 2.38 6 -8 -6 2.25 1.07 6 8 -5 18.56 4.13 6 -8 -5 7.59 3.12 -6 8 -5 21.49 4.42 6 -8 -5 21.08 4.09 6 8 -4 25.79 4.28 6 -8 -4 25.31 4.63 6 8 -4 21.83 3.85 -6 8 -4 19.84 4.18 6 -8 -4 21.71 4.06 6 8 -3 3.65 1.91 6 8 -3 1.60 1.17 -6 8 -3 0.84 0.92 6 -8 -3 2.45 2.36 6 -8 -3 -0.28 1.48 6 8 -2 32.62 4.66 6 8 -2 42.09 5.64 6 -8 -2 33.32 4.98 -6 8 -2 38.96 5.42 6 -8 -2 31.56 5.13 6 8 -1 5.92 1.81 6 8 -1 7.25 1.65 -6 8 -1 6.25 2.13 6 -8 -1 9.92 2.81 6 -8 0 2.02 1.99 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7.52 8 -2 -8 79.42 6.55 8 -2 -7 71.50 6.00 8 2 -7 74.60 5.28 8 -2 -7 77.77 6.67 8 2 -7 65.59 5.35 8 2 -7 83.30 6.53 8 2 -6 7.46 1.70 8 2 -6 7.65 1.66 8 -2 -6 8.70 2.36 8 -2 -6 10.47 2.26 8 2 -6 8.56 1.70 8 -2 -5 124.84 8.05 8 -2 -5 128.45 8.37 8 2 -5 128.18 6.97 8 2 -5 135.51 7.48 8 2 -5 132.16 8.20 8 -2 -4 163.24 9.06 8 -2 -4 182.71 9.91 8 2 -4 176.87 8.44 8 2 -4 149.04 7.76 8 2 -4 168.26 9.11 8 -2 -3 159.03 8.88 8 -2 -3 161.99 9.25 8 2 -3 161.57 8.05 8 2 -3 165.18 8.30 8 2 -3 156.98 8.79 8 -2 -2 265.99 11.60 8 -2 -2 235.67 11.21 8 2 -2 240.78 9.95 8 2 -2 250.36 10.30 8 2 -2 259.17 11.07 8 -2 -1 261.78 11.40 8 -2 -1 266.44 11.79 8 2 -1 278.24 11.02 8 2 -1 270.04 11.73 8 -2 0 117.33 7.71 8 -2 0 127.21 8.16 8 2 0 127.62 7.85 8 2 0 119.53 7.26 8 2 1 286.35 11.49 8 -2 1 247.65 11.20 8 -2 1 253.15 11.37 8 2 1 291.65 11.61 8 2 2 253.06 11.03 8 -2 2 241.30 11.18 8 -2 2 261.18 11.76 8 2 2 244.66 10.71 8 2 3 149.10 8.45 8 -2 3 156.31 9.10 8 -2 3 159.28 9.05 8 2 3 152.99 8.41 8 2 4 150.49 8.58 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8 4 -2 169.22 10.15 8 4 -2 143.97 8.50 8 -4 -2 152.46 9.51 8 4 -2 157.88 7.71 8 -4 -1 333.51 14.26 8 4 -1 307.42 13.66 8 4 -1 322.26 12.78 8 -4 -1 297.12 13.45 8 -4 0 43.38 5.07 8 4 0 54.24 5.82 8 4 0 47.94 5.07 8 -4 0 44.17 5.09 8 4 1 333.35 14.07 8 -4 1 329.24 14.08 8 4 1 339.35 13.47 8 -4 1 312.18 13.58 8 4 2 167.44 9.98 8 -4 2 166.62 9.91 8 4 2 157.71 9.29 8 -4 2 167.08 9.95 8 4 3 35.39 4.63 8 -4 3 33.40 4.47 8 4 3 35.75 4.39 8 -4 3 29.61 4.25 8 4 4 89.41 7.17 8 -4 4 100.88 7.70 8 4 4 88.90 7.16 8 -4 4 90.54 7.44 8 4 5 196.87 10.86 8 -4 5 200.62 10.98 8 4 5 201.96 10.89 8 -4 5 185.64 10.67 8 4 6 18.89 3.38 8 -4 6 20.86 3.55 8 4 6 15.58 3.35 8 -4 6 8.06 1.68 8 4 7 50.69 5.71 8 -4 7 52.25 5.84 8 4 7 55.02 5.93 8 -4 7 57.18 5.97 8 4 8 6.04 2.73 8 4 8 8.65 2.22 8 -4 8 3.22 2.06 8 4 9 15.44 3.44 8 4 9 11.89 2.67 8 -4 9 17.97 3.34 8 4 10 13.23 3.12 8 4 10 16.44 3.39 8 -4 10 12.52 2.91 8 4 11 57.78 6.02 8 -4 11 61.04 6.44 8 4 11 40.90 5.23 8 4 12 22.88 3.98 8 -4 12 20.06 3.92 8 4 12 20.22 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51.35 6.21 10 4 -8 70.67 7.04 10 4 -7 15.42 2.97 10 -4 -7 25.32 4.56 10 -4 -7 19.96 4.07 10 4 -7 17.27 3.92 10 -4 -6 22.28 4.00 10 4 -6 26.37 3.75 10 -4 -6 20.35 4.00 10 4 -6 33.52 4.96 10 -4 -5 72.26 7.32 10 4 -5 60.51 5.70 10 4 -5 65.29 6.49 10 -4 -5 60.51 6.50 10 -4 -4 29.01 4.56 10 4 -4 24.33 4.10 10 4 -4 35.24 4.40 10 -4 -4 40.51 5.37 10 -4 -3 37.12 5.05 10 4 -3 33.04 4.34 10 -4 -3 40.08 5.43 10 4 -3 34.35 4.15 10 4 -3 38.80 5.01 10 -4 -2 131.85 9.53 10 4 -2 117.84 8.30 10 -4 -2 113.12 8.85 10 4 -2 119.85 7.80 10 4 -2 121.70 8.94 10 -4 -1 103.53 8.46 10 4 -1 99.53 7.65 10 -4 -1 96.54 8.27 10 4 -1 114.42 7.66 10 4 -1 102.08 8.16 10 -4 0 68.39 6.85 10 4 0 67.76 6.40 10 -4 0 55.59 6.12 10 4 0 73.82 7.05 10 -4 1 118.83 8.96 10 4 1 106.62 8.04 10 -4 1 112.35 9.00 10 4 1 112.85 8.69 10 4 2 118.46 8.43 10 -4 2 103.65 8.49 10 4 2 109.54 8.60 10 4 3 36.22 5.05 10 -4 3 35.18 5.05 10 4 3 36.37 4.81 10 -4 3 35.98 4.94 10 4 4 30.04 4.48 10 -4 4 36.51 5.04 10 4 4 21.61 3.62 10 -4 4 33.52 4.65 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3.78 2.23 10 -5 -21 2.37 3.18 10 -5 -20 -0.87 2.07 10 -5 -19 0.44 1.71 10 -5 -19 8.53 4.09 10 -5 -18 0.31 1.71 10 -5 -18 -0.19 0.85 10 5 -18 0.46 1.70 10 -5 -17 0.60 1.58 10 -5 -17 0.17 1.08 10 5 -17 1.02 1.20 10 -5 -16 1.89 1.27 10 -5 -16 5.40 2.89 10 5 -16 2.84 1.31 10 5 -15 8.91 2.73 10 -5 -15 10.62 3.56 10 -5 -15 6.48 1.76 10 5 -14 3.02 1.28 10 -5 -14 2.59 1.42 10 5 -13 -0.83 1.26 10 -5 -13 1.89 2.21 10 -5 -13 -0.69 1.46 10 5 -12 0.78 1.08 10 -5 -12 1.79 1.51 10 -5 -12 1.59 1.72 10 -5 -11 1.15 1.50 10 5 -11 1.37 1.51 10 -5 -11 5.95 2.55 10 -5 -10 16.01 3.68 10 5 -10 14.04 3.33 10 -5 -10 9.10 2.91 10 -5 -9 3.38 0.81 10 5 -9 4.10 1.97 10 -5 -9 2.81 1.55 10 5 -8 15.81 2.79 10 -5 -8 12.95 3.24 10 -5 -8 11.41 3.18 10 5 -7 14.12 3.40 10 -5 -7 11.87 3.33 10 -5 -7 12.96 3.05 10 5 -6 3.66 2.03 10 -5 -6 4.45 2.31 10 5 -6 7.28 2.56 10 -5 -6 3.73 1.50 10 5 -5 1.14 2.38 10 -5 -5 6.59 2.72 10 5 -5 3.97 1.21 10 -5 -5 2.66 1.41 10 5 -4 21.58 3.62 10 -5 -4 11.88 3.00 10 -5 -4 19.49 4.12 10 5 -4 22.49 4.13 10 5 -3 9.39 2.72 10 -5 -3 9.66 3.06 10 -5 -3 10.95 2.81 10 5 -3 7.30 2.17 10 5 -2 21.71 3.87 10 5 -2 19.55 3.45 10 -5 -2 24.73 4.36 10 -5 -2 22.81 4.05 10 5 -1 60.18 6.52 10 5 -1 61.85 6.31 10 -5 -1 66.13 7.11 10 -5 -1 75.45 7.56 10 5 0 26.07 3.91 10 5 0 29.84 4.25 10 -5 0 31.03 5.13 10 -5 0 31.40 4.83 10 -5 1 66.46 6.99 10 5 1 67.36 7.10 10 5 1 62.14 6.43 10 -5 1 55.89 6.38 10 -5 2 25.46 4.30 10 5 2 28.90 4.55 10 -5 2 16.78 3.53 10 5 2 17.14 3.42 10 5 3 8.70 2.52 10 5 3 7.39 2.25 10 -5 3 7.58 2.65 10 -5 3 10.99 3.01 10 5 4 16.54 3.30 10 -5 4 20.30 4.06 10 5 4 16.82 3.37 10 -5 4 20.51 3.75 10 5 5 5.53 1.81 10 5 5 2.72 1.31 10 -5 5 6.73 2.70 10 -5 5 5.87 2.66 10 5 6 1.38 0.95 10 5 6 5.35 2.54 10 -5 6 5.28 2.48 10 -5 6 5.60 2.53 10 5 7 11.96 2.90 10 5 7 8.71 2.86 10 -5 7 8.81 2.82 10 -5 7 12.14 3.13 10 5 8 18.68 3.55 10 5 8 9.36 2.93 10 -5 8 16.17 3.62 10 -5 8 13.65 3.18 10 5 9 5.13 2.25 10 5 9 1.24 0.85 10 -5 9 1.08 1.37 10 -5 9 3.61 1.89 10 5 10 14.34 3.30 10 5 10 14.86 3.58 10 -5 10 8.71 2.68 10 -5 10 13.79 3.45 10 5 11 1.83 1.91 10 5 11 2.61 1.51 10 -5 11 4.17 2.10 10 -5 11 3.22 1.71 10 5 12 4.86 2.43 10 5 12 0.50 1.33 10 -5 12 3.85 1.67 10 -5 12 0.11 0.84 10 5 13 3.73 1.42 10 5 13 0.20 1.41 10 -5 13 4.10 1.78 10 5 14 3.65 2.25 10 5 14 1.74 0.88 10 -5 14 1.53 1.38 10 5 15 6.65 2.40 10 5 15 8.18 3.03 10 -5 15 9.11 3.15 10 5 16 8.27 2.44 10 5 16 6.99 2.43 10 -5 16 6.62 2.62 10 -5 17 1.45 2.42 10 5 17 0.56 1.23 10 -5 18 0.14 1.82 10 5 18 0.30 1.55 10 5 19 1.49 2.13 10 5 20 0.12 1.63 10 5 21 3.20 1.86 10 5 22 0.19 1.39 10 5 23 -0.39 1.80 10 5 24 1.46 2.28 10 -6 -22 8.75 2.72 10 -6 -21 18.91 4.34 10 -6 -20 14.90 3.93 10 -6 -20 0.68 1.97 10 -6 -19 2.89 2.19 10 -6 -19 13.38 3.67 10 -6 -18 15.11 4.41 10 -6 -18 18.08 4.98 10 6 -17 16.76 4.05 10 -6 -17 27.80 5.09 10 -6 -17 16.71 4.18 10 6 -16 21.57 4.70 10 -6 -16 13.21 3.40 10 -6 -16 19.06 4.38 10 -6 -15 39.88 6.24 10 -6 -15 48.39 6.61 10 6 -15 35.14 5.59 10 -6 -14 28.73 5.42 10 -6 -14 26.11 5.01 10 6 -14 37.14 5.88 10 -6 -13 28.42 5.10 10 6 -13 35.89 5.10 10 -6 -13 17.64 3.87 10 -6 -12 19.79 4.26 10 6 -12 25.61 4.60 10 -6 -12 22.35 4.61 10 6 -11 16.93 3.94 10 -6 -11 25.70 5.11 10 -6 -11 22.34 4.65 10 6 -10 19.39 3.84 10 -6 -10 18.53 3.67 10 -6 -10 24.74 4.48 10 6 -9 24.12 4.41 10 -6 -9 22.32 4.58 10 -6 -9 30.66 5.18 10 6 -8 19.38 4.08 10 -6 -8 23.76 4.58 10 -6 -8 24.28 4.79 10 -6 -7 6.08 2.29 10 6 -7 10.77 2.61 10 -6 -7 3.87 2.43 10 -6 -6 14.34 3.92 10 6 -6 12.42 3.07 10 -6 -6 14.09 3.07 10 6 -5 38.19 5.37 10 6 -5 39.66 5.67 10 -6 -5 37.62 5.66 10 -6 -5 35.77 5.57 10 6 -4 21.50 4.20 10 -6 -4 31.90 5.26 10 -6 -4 26.46 4.81 10 6 -3 2.45 0.82 10 -6 -3 0.21 1.59 10 6 -3 1.75 1.03 10 -6 -2 21.60 4.16 10 6 -2 17.06 3.91 10 -6 -2 20.53 3.92 10 6 -2 9.46 2.71 10 6 -1 54.90 6.56 10 6 -1 46.19 5.77 10 -6 -1 56.56 6.67 10 -6 -1 48.65 6.14 10 6 0 48.30 6.33 10 6 0 59.37 6.61 10 -6 0 42.38 6.14 10 -6 0 47.44 6.18 10 6 1 46.76 5.86 10 6 1 48.81 5.94 10 -6 1 38.32 5.55 10 -6 1 44.84 5.68 10 6 2 17.25 3.54 10 6 2 19.67 4.03 10 -6 2 17.53 4.02 10 -6 2 21.28 4.50 10 6 3 -0.18 1.55 10 6 3 1.30 1.42 10 -6 3 2.58 1.38 10 -6 3 0.45 1.04 10 6 4 29.68 4.92 10 6 4 27.59 4.63 10 -6 4 22.25 4.53 10 -6 4 33.62 5.23 10 6 5 41.21 5.85 10 6 5 36.88 5.21 10 -6 5 48.20 6.24 10 -6 5 30.85 5.06 10 6 6 18.53 3.70 10 6 6 18.42 3.80 10 -6 6 17.05 3.73 10 -6 6 17.08 3.88 10 6 7 7.13 1.92 10 6 7 7.56 2.78 10 -6 7 5.73 2.39 10 -6 7 7.25 2.44 10 6 8 33.08 4.91 10 -6 8 25.97 4.51 10 6 8 30.75 5.07 10 -6 8 29.75 5.08 10 6 9 29.79 5.27 10 -6 9 20.66 4.48 10 6 9 28.18 4.83 10 -6 9 20.36 3.74 10 6 10 15.58 3.83 10 -6 10 16.77 4.48 10 6 10 26.61 4.56 10 -6 10 12.64 3.38 10 6 11 14.08 3.66 10 6 11 13.10 3.53 10 -6 11 22.66 4.44 10 -6 11 22.43 4.82 10 6 12 28.70 5.08 10 6 12 24.54 4.34 10 -6 12 16.21 3.96 10 -6 12 21.36 4.47 10 6 13 30.17 5.29 10 -6 13 22.20 4.45 10 6 13 25.81 4.90 10 -6 13 32.33 5.93 10 -6 14 33.65 5.62 10 6 14 39.82 6.20 10 6 14 24.23 4.26 10 -6 14 28.09 5.20 10 -6 15 36.26 6.00 10 6 15 47.52 6.78 10 6 15 38.35 6.00 10 -6 15 36.77 6.11 10 6 16 16.55 4.51 10 6 16 17.63 4.80 10 -6 16 20.33 4.54 10 -6 16 15.70 3.90 10 6 17 20.27 4.35 10 6 18 8.80 3.43 10 6 19 3.06 1.78 10 6 20 17.88 4.55 10 6 21 14.15 3.66 10 6 22 7.18 3.06 10 -7 -20 4.38 3.07 10 -7 -20 6.33 2.58 10 -7 -19 1.77 1.85 10 -7 -19 1.02 2.01 10 -7 -18 0.71 2.13 10 -7 -18 2.70 2.58 10 7 -17 -2.27 0.91 10 -7 -17 1.09 1.27 10 -7 -17 1.73 2.33 10 7 -16 4.62 2.58 10 -7 -16 6.02 3.07 10 -7 -16 2.36 1.83 10 7 -15 0.61 1.84 10 -7 -15 1.53 2.44 10 -7 -15 1.96 0.96 10 7 -14 6.57 2.79 10 -7 -14 6.47 2.63 10 -7 -14 2.16 2.10 10 7 -13 5.43 1.82 10 -7 -13 5.57 2.40 10 -7 -13 0.07 1.85 10 7 -12 -0.57 2.15 10 -7 -12 4.39 2.55 10 -7 -12 2.76 1.85 10 7 -11 9.38 3.33 10 -7 -11 12.10 3.45 10 -7 -11 11.37 3.32 10 7 -10 14.29 3.76 10 -7 -10 15.58 3.33 10 -7 -10 19.80 4.23 10 7 -9 6.66 2.93 10 -7 -9 6.44 2.47 10 -7 -9 6.78 2.94 10 7 -8 8.50 2.78 10 -7 -8 15.04 4.22 10 -7 -8 5.35 2.80 10 7 -7 6.22 2.56 -10 7 -7 1.49 0.87 10 -7 -7 4.12 1.79 10 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2.58 10 -8 -11 12.77 3.87 10 8 -10 4.94 1.89 10 -8 -10 4.64 1.72 10 -8 -10 1.10 1.00 10 8 -9 14.67 3.96 10 -8 -9 14.64 3.49 10 -8 -9 14.38 3.70 10 8 -8 23.94 5.22 10 -8 -8 24.76 4.91 10 -8 -8 23.29 4.94 10 8 -7 5.19 1.90 -10 8 -7 4.36 3.11 10 -8 -7 7.00 2.96 10 -8 -7 3.46 2.13 10 8 -6 22.80 4.78 -10 8 -6 21.60 4.59 10 -8 -6 24.51 4.78 10 -8 -6 24.27 4.78 10 8 -5 30.48 5.35 -10 8 -5 31.12 5.88 10 -8 -5 27.03 5.10 10 -8 -5 26.74 5.23 10 8 -4 28.21 4.92 -10 8 -4 13.50 3.22 10 -8 -4 22.67 4.85 10 -8 -4 22.32 4.38 10 8 -3 8.03 2.30 -10 8 -3 7.67 2.62 10 -8 -3 11.62 3.47 10 -8 -3 6.77 1.50 10 -8 -2 8.37 3.54 10 8 -2 5.29 2.26 10 8 -2 6.45 2.65 -10 8 -2 8.74 3.21 10 -8 -2 5.18 1.44 10 -8 -1 7.44 3.39 10 8 -1 11.27 3.69 10 8 -1 10.42 2.95 -10 8 -1 4.97 2.80 10 -8 -1 10.33 3.13 10 -8 0 11.78 2.77 10 8 0 14.47 3.48 10 8 0 14.81 3.67 -10 8 0 15.83 3.69 10 -8 0 16.10 3.88 10 -8 1 9.71 2.99 10 8 1 5.47 2.60 10 8 1 10.55 2.89 -10 8 1 10.01 3.56 10 -8 1 9.05 2.68 10 -8 2 3.61 2.02 10 8 2 6.76 2.06 10 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19 3 5 6.56 2.77 19 -3 6 3.73 2.37 19 -3 6 3.24 1.98 19 3 6 5.53 3.13 19 3 6 4.06 2.18 19 3 6 1.31 0.91 19 -3 7 4.90 3.50 19 -3 7 7.39 2.86 19 3 7 5.72 2.69 19 3 7 1.40 1.65 19 3 7 2.69 1.86 19 3 8 11.08 3.80 19 -3 8 15.95 4.35 19 -3 8 14.65 4.99 19 3 8 6.13 2.97 19 3 8 8.25 3.45 19 3 9 4.74 2.68 19 -3 9 5.83 2.39 19 -3 9 7.86 3.65 19 3 9 3.11 3.02 19 -4 -6 0.75 0.86 19 -4 -6 2.09 1.56 19 4 -6 0.72 1.13 19 -4 -5 -2.66 2.13 19 -4 -5 1.10 1.35 19 4 -5 1.45 1.66 19 -4 -4 -0.37 1.57 19 -4 -4 2.53 2.92 19 4 -4 -0.89 1.64 19 -4 -3 1.31 1.49 19 -4 -3 2.81 2.07 19 4 -3 3.05 2.11 19 -4 -2 1.33 2.33 19 -4 -2 0.94 0.94 19 4 -2 3.01 1.57 19 -4 -1 2.44 2.50 19 -4 -1 -1.36 1.70 19 4 -1 -1.50 1.24 19 4 -1 0.02 1.52 19 -4 0 3.62 2.31 19 -4 0 1.09 1.42 19 4 0 -0.92 1.71 19 4 0 -1.09 2.13 19 -4 1 0.29 1.79 19 -4 1 -0.88 0.89 19 4 1 -0.21 2.00 19 4 1 0.15 1.52 19 -4 2 1.87 1.63 19 -4 2 2.81 1.47 19 4 2 3.10 1.67 19 4 2 1.30 1.25 19 4 3 3.42 2.91 19 -4 3 3.80 1.97 19 -4 3 3.75 1.70 19 4 3 4.23 2.48 19 4 4 3.70 1.81 19 -4 4 4.86 2.18 19 -4 4 1.29 1.27 19 4 4 0.29 1.35 19 4 5 0.35 1.81 19 -4 5 1.02 2.40 19 -4 5 3.92 2.57 19 4 5 3.43 2.87 19 4 6 3.80 2.03 19 -4 6 -1.85 1.04 19 -4 6 0.55 2.23 19 4 6 2.88 2.26 20 0 -8 70.34 8.75 20 0 -7 0.36 1.97 20 0 -6 -1.83 2.76 20 0 -6 -1.40 1.68 20 0 -5 15.00 4.30 20 0 -5 14.38 4.02 20 0 -4 71.56 9.22 20 0 -4 85.66 9.77 20 0 -3 3.76 3.22 20 0 -3 1.86 1.66 20 0 -2 91.21 9.98 20 0 -2 84.22 9.62 20 0 -1 5.82 3.16 20 0 -1 -0.87 1.48 20 0 0 -1.50 1.26 20 0 0 -0.65 2.30 20 0 1 3.92 2.10 20 0 1 3.92 1.74 20 0 2 93.02 9.89 20 0 2 67.68 8.35 20 0 3 -1.65 1.33 20 0 3 0.56 0.99 20 0 4 83.61 9.15 20 0 4 86.88 9.99 20 0 5 28.75 5.74 20 0 5 19.15 4.88 20 0 6 0.20 1.42 20 0 6 -2.00 2.17 20 0 7 0.39 1.62 20 0 7 1.58 1.77 20 0 8 61.56 8.24 20 0 8 67.77 8.77 20 -1 -7 0.89 1.58 20 -1 -7 0.69 1.06 20 1 -7 3.38 3.50 20 -1 -6 -1.85 2.68 20 -1 -6 0.55 2.01 20 1 -6 0.12 1.46 20 -1 -5 2.41 1.41 20 1 -5 6.23 4.26 20 -1 -5 5.68 2.64 20 1 -5 4.02 3.00 20 -1 -4 1.69 2.29 20 1 -4 1.96 2.17 20 -1 -4 -1.23 1.84 20 1 -4 0.97 1.88 20 -1 -3 8.79 3.03 20 1 -3 10.12 3.20 20 -1 -3 5.92 3.11 20 1 -3 2.60 2.21 20 -1 -2 1.84 1.94 20 1 -2 2.80 2.06 20 -1 -2 3.12 1.65 20 1 -2 -1.07 1.93 20 -1 -1 2.40 2.75 20 1 -1 3.03 2.38 20 -1 -1 3.50 2.41 20 1 -1 2.31 2.33 20 -1 0 -0.51 1.99 20 1 0 0.02 1.53 20 -1 0 0.10 1.48 20 1 0 1.60 1.65 20 -1 1 1.92 2.14 20 1 1 3.46 2.50 20 -1 1 1.68 1.68 20 1 1 5.85 3.96 20 -1 2 5.16 2.38 20 1 2 1.01 0.97 20 -1 2 4.93 3.37 20 1 2 1.73 2.20 20 -1 3 9.10 3.29 20 1 3 10.14 3.99 20 -1 3 12.73 3.59 20 1 3 6.84 2.46 20 -1 4 -1.95 2.03 20 1 4 -0.14 1.36 20 -1 4 -2.27 2.39 20 1 4 0.89 2.18 20 -1 5 7.38 3.66 20 1 5 0.59 1.56 20 -1 5 4.84 2.40 20 1 5 3.77 1.68 20 -1 6 2.38 1.94 20 1 6 1.26 1.98 20 -1 6 -0.16 1.41 20 1 6 -0.17 2.44 20 -1 7 -0.39 1.43 20 1 7 0.79 2.38 20 -1 7 0.61 2.09 20 1 7 1.91 2.98 20 -2 -6 8.13 2.81 20 -2 -6 4.63 2.71 20 -2 -5 3.78 2.74 20 -2 -5 -0.54 1.76 20 -2 -4 10.83 3.78 20 -2 -4 5.77 2.73 20 -2 -3 -1.34 1.22 20 2 -3 0.47 2.55 20 -2 -3 1.40 2.22 20 -2 -2 27.11 5.30 20 -2 -2 33.86 6.36 20 2 -2 26.42 5.15 20 2 -2 31.37 5.32 20 -2 -1 2.11 1.84 20 2 -1 0.39 1.88 20 -2 -1 1.41 1.61 20 2 -1 0.24 1.81 20 2 -1 1.39 2.63 20 -2 0 -0.15 2.35 20 2 0 0.15 2.08 20 -2 0 2.27 1.69 20 2 0 -2.23 2.65 20 2 0 1.11 2.92 20 -2 1 -1.04 1.15 20 2 1 -0.66 1.26 20 -2 1 -0.08 1.59 20 2 1 1.59 1.19 20 2 1 -0.04 1.48 20 -2 2 40.33 6.72 20 -2 2 43.66 7.45 20 2 2 16.21 4.12 20 2 2 32.67 6.33 20 2 2 23.63 5.05 20 -2 3 4.26 2.57 20 -2 3 0.81 2.00 20 2 3 0.18 1.23 20 2 3 2.24 3.27 20 2 3 5.90 2.90 20 -2 4 7.57 3.22 20 -2 4 7.76 3.40 20 2 4 10.79 3.91 20 2 4 7.20 2.62 20 2 4 8.48 3.89 20 -2 5 1.58 2.01 20 -2 5 0.76 1.52 20 2 5 1.63 2.11 20 2 5 2.43 1.90 20 2 5 -2.14 1.73 20 -2 6 -0.53 1.10 20 2 6 3.68 2.23 20 2 6 1.52 1.56 20 2 6 3.13 2.05 20 -3 -1 -1.08 1.86 20 -3 -1 1.39 0.92 20 3 -1 -0.27 2.17 20 3 -1 -0.30 1.08 20 -3 0 0.11 1.24 20 -3 0 1.07 2.68 20 3 0 -0.34 1.56 20 3 0 -1.66 2.39 20 -3 1 0.34 1.67 20 -3 1 2.72 2.14 20 3 1 1.53 2.40 20 3 1 0.16 1.71 0 0 0 0.00 0.00 TITL 004_280K_SulfamerazineF1_ in Pna2(1) REM Pna2(1) (#33, found as Pbn2(1) in ba-c setting) CELL 0.68890 14.497256 8.211823 21.965848 90.0000 90.0000 90.0000 ZERR 8.00 0.000158 0.000097 0.000349 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 52781