data_260k_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 14.49140(10) _cell_length_b 8.20690(10) _cell_length_c 21.9332(3) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 2608.50(5) _cell_formula_units_Z 8 _cell_measurement_temperature 260 _cell_measurement_reflns_used 10285 _cell_measurement_theta_min 1.7990 _cell_measurement_theta_max 29.4560 _exptl_crystal_description Parallelepiped _exptl_crystal_colour Colourless _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_density_diffrn 1.346 _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 ? _exptl_absorpt_correction_T_min 0.99546 _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 260 _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 23639 _diffrn_reflns_av_unetI/netI 0.0430 _diffrn_reflns_av_R_equivalents 0.0454 _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 2.568 _diffrn_reflns_theta_max 29.477 _diffrn_reflns_theta_full 24.415 _diffrn_measured_fraction_theta_max 0.999 _diffrn_measured_fraction_theta_full 0.998 _diffrn_reflns_Laue_measured_fraction_max 0.999 _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 7727 _reflns_number_gt 5884 _reflns_threshold_expression 'I > 2\s(I)' _reflns_Friedel_coverage 0.897 _reflns_Friedel_fraction_max 0.939 _reflns_Friedel_fraction_full 0.978 _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 2167 quotients [(I+)-(I-)]/[(I+)+(I-)] (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259). ; _refine_ls_abs_structure_Flack 0.03(5) _chemical_absolute_configuration ad _refine_ls_number_reflns 7727 _refine_ls_number_parameters 344 _refine_ls_number_restraints 1 _refine_ls_R_factor_all 0.0674 _refine_ls_R_factor_gt 0.0476 _refine_ls_wR_factor_ref 0.1257 _refine_ls_wR_factor_gt 0.1103 _refine_ls_goodness_of_fit_ref 1.015 _refine_ls_restrained_S_all 1.015 _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 0.64646(6) 0.49558(10) 0.34437(5) 0.03568(19) Uani 1 1 d . . . . . S2 S 0.57781(6) 0.49541(10) 0.65250(5) 0.03460(19) Uani 1 1 d . . . . . O1 O 0.68980(19) 0.3712(3) 0.30888(13) 0.0465(6) Uani 1 1 d . . . . . O2 O 0.54939(17) 0.5225(3) 0.33785(15) 0.0462(6) Uani 1 1 d . . . . . O3 O 0.67510(17) 0.4681(3) 0.65876(14) 0.0444(6) Uani 1 1 d . . . . . O4 O 0.53545(18) 0.6227(3) 0.68693(13) 0.0457(6) Uani 1 1 d . . . . . N1 N 0.8429(3) 1.1159(4) 0.3124(2) 0.0545(10) Uani 1 1 d . . . . . N2 N 0.6558(2) 0.4494(4) 0.41730(16) 0.0402(7) Uani 1 1 d . . . . . N3 N 0.8148(2) 0.4098(4) 0.41765(16) 0.0416(7) Uani 1 1 d . . . . . N4 N 0.7282(2) 0.4289(5) 0.50954(16) 0.0563(9) Uani 1 1 d . . . . . N5 N 0.3806(3) -0.1198(4) 0.6958(2) 0.0674(12) Uani 1 1 d . . . . . H5A H 0.3243 -0.1185 0.7081 0.088 Uiso 1 1 calc R U . . . H5B H 0.4080 -0.2112 0.6894 0.088 Uiso 1 1 calc R U . . . N6 N 0.5682(2) 0.5369(4) 0.57925(16) 0.0423(7) Uani 1 1 d . . . . . N7 N 0.4097(2) 0.5853(4) 0.57991(16) 0.0436(7) Uani 1 1 d . . . . . N8 N 0.4964(2) 0.5661(5) 0.48753(17) 0.0556(9) Uani 1 1 d . . . . . C1 C 0.7055(2) 0.6778(4) 0.33420(18) 0.0329(7) Uani 1 1 d . . . . . C2 C 0.7951(2) 0.6800(4) 0.31074(17) 0.0344(7) Uani 1 1 d . . . . . H2 H 0.8240 0.5829 0.3001 0.045 Uiso 1 1 calc R U . . . C3 C 0.8405(2) 0.8253(4) 0.30344(18) 0.0341(7) Uani 1 1 d . . . . . H3 H 0.9004 0.8262 0.2882 0.044 Uiso 1 1 calc R U . . . C4 C 0.7973(2) 0.9729(4) 0.31887(17) 0.0365(8) Uani 1 1 d . . . . . C5 C 0.7073(2) 0.9689(4) 0.3426(2) 0.0415(8) Uani 1 1 d . . . . . H5 H 0.6780 1.0656 0.3533 0.054 Uiso 1 1 calc R U . . . C6 C 0.6623(2) 0.8231(4) 0.3501(2) 0.0400(8) Uani 1 1 d . . . . . H6 H 0.6027 0.8214 0.3658 0.052 Uiso 1 1 calc R U . . . C7 C 0.7371(2) 0.4284(4) 0.44917(17) 0.0382(8) Uani 1 1 d . . . . . C8 C 0.8062(3) 0.4031(8) 0.5407(3) 0.0765(16) Uani 1 1 d . . . . . H8 H 0.8038 0.3997 0.5830 0.099 Uiso 1 1 calc R U . . . C9 C 0.8893(3) 0.3817(7) 0.5126(2) 0.0707(14) Uani 1 1 d . . . . . H9 H 0.9426 0.3630 0.5352 0.092 Uiso 1 1 calc R U . . . C10 C 0.8924(3) 0.3884(5) 0.4500(2) 0.0505(10) Uani 1 1 d . . . . . C11 C 0.9793(3) 0.3711(7) 0.4143(3) 0.0682(13) Uani 1 1 d . . . . . H11A H 0.9867 0.2596 0.4020 0.089 Uiso 1 1 calc R U . . . H11B H 1.0308 0.4031 0.4391 0.089 Uiso 1 1 calc R U . . . H11C H 0.9764 0.4394 0.3788 0.089 Uiso 1 1 calc R U . . . C12 C 0.5190(2) 0.3151(4) 0.66571(16) 0.0342(7) Uani 1 1 d . . . . . C13 C 0.5638(2) 0.1680(4) 0.6555(2) 0.0451(9) Uani 1 1 d . . . . . H13 H 0.6245 0.1670 0.6419 0.059 Uiso 1 1 calc R U . . . C14 C 0.5179(3) 0.0237(4) 0.6656(2) 0.0508(11) Uani 1 1 d . . . . . H14 H 0.5481 -0.0746 0.6587 0.066 Uiso 1 1 calc R U . . . C15 C 0.4264(3) 0.0228(4) 0.68630(19) 0.0426(9) Uani 1 1 d . . . . . C16 C 0.3824(2) 0.1715(4) 0.69652(18) 0.0397(8) Uani 1 1 d . . . . . H16 H 0.3217 0.1729 0.7104 0.052 Uiso 1 1 calc R U . . . C17 C 0.4280(2) 0.3168(4) 0.68627(19) 0.0358(8) Uani 1 1 d . . . . . H17 H 0.3981 0.4154 0.6931 0.047 Uiso 1 1 calc R U . . . C18 C 0.4865(2) 0.5642(4) 0.54820(17) 0.0379(8) Uani 1 1 d . . . . . C19 C 0.4188(3) 0.5984(8) 0.4567(2) 0.0752(17) Uani 1 1 d . . . . . H19 H 0.4213 0.6027 0.4143 0.098 Uiso 1 1 calc R U . . . C20 C 0.3361(3) 0.6253(8) 0.4850(3) 0.0761(16) Uani 1 1 d . . . . . H20 H 0.2835 0.6501 0.4625 0.099 Uiso 1 1 calc R U . . . C21 C 0.3328(3) 0.6147(5) 0.5477(2) 0.0511(10) Uani 1 1 d . . . . . C22 C 0.2459(3) 0.6351(7) 0.5834(3) 0.0727(14) Uani 1 1 d . . . . . H22A H 0.2488 0.7345 0.6064 0.095 Uiso 1 1 calc R U . . . H22B H 0.2386 0.5447 0.6108 0.095 Uiso 1 1 calc R U . . . H22C H 0.1943 0.6392 0.5560 0.095 Uiso 1 1 calc R U . . . H1N1 H 0.891(3) 1.115(5) 0.292(2) 0.055(13) Uiso 1 1 d . . . . . H2N1 H 0.811(3) 1.197(6) 0.315(2) 0.057(13) Uiso 1 1 d . . . . . H1N2 H 0.615(3) 0.473(5) 0.436(2) 0.035(11) Uiso 1 1 d . . . . . H1N6 H 0.621(3) 0.503(5) 0.558(2) 0.059(14) 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 0.0330(4) 0.0384(4) 0.0356(5) 0.0031(4) -0.0014(4) -0.0022(3) S2 0.0318(4) 0.0380(4) 0.0340(5) 0.0038(4) -0.0017(4) -0.0022(3) O1 0.0557(16) 0.0381(12) 0.0457(16) -0.0064(12) 0.0026(13) -0.0019(11) O2 0.0341(12) 0.0570(15) 0.0475(17) 0.0083(14) -0.0077(13) -0.0074(11) O3 0.0333(12) 0.0564(15) 0.0433(16) 0.0087(13) -0.0056(12) -0.0023(10) O4 0.0516(16) 0.0354(12) 0.0500(16) -0.0039(11) -0.0008(13) -0.0029(11) N1 0.0476(19) 0.0404(17) 0.076(3) -0.0093(18) 0.021(2) -0.0050(15) N2 0.0286(14) 0.0534(18) 0.0388(19) 0.0104(15) -0.0003(14) 0.0015(13) N3 0.0325(14) 0.0461(16) 0.046(2) 0.0047(14) 0.0010(14) 0.0036(12) N4 0.0402(17) 0.091(3) 0.038(2) 0.0071(19) -0.0008(15) 0.0149(18) N5 0.057(2) 0.0402(16) 0.105(3) -0.0068(19) 0.022(2) -0.0101(15) N6 0.0308(14) 0.0613(19) 0.0349(19) 0.0112(15) 0.0038(13) 0.0033(13) N7 0.0356(16) 0.0500(17) 0.045(2) 0.0043(15) 0.0042(14) 0.0054(13) N8 0.0412(17) 0.085(3) 0.041(2) 0.0077(18) -0.0033(16) 0.0144(17) C1 0.0318(16) 0.0352(14) 0.0316(19) 0.0033(14) 0.0004(14) 0.0005(12) C2 0.0339(16) 0.0371(16) 0.0323(18) -0.0005(14) 0.0002(14) 0.0050(12) C3 0.0283(15) 0.0436(18) 0.030(2) -0.0022(15) 0.0031(14) 0.0000(12) C4 0.0375(17) 0.0365(16) 0.036(2) -0.0016(13) 0.0007(15) -0.0024(12) C5 0.0406(18) 0.0378(16) 0.046(2) -0.0036(17) 0.0091(19) 0.0047(13) C6 0.0334(15) 0.0401(16) 0.047(2) -0.0016(17) 0.0092(16) 0.0043(12) C7 0.0324(17) 0.0412(17) 0.041(2) 0.0077(15) 0.0009(15) 0.0028(13) C8 0.053(3) 0.131(5) 0.046(3) 0.007(3) -0.006(2) 0.027(3) C9 0.041(2) 0.116(4) 0.056(3) 0.001(3) -0.011(2) 0.020(2) C10 0.0345(18) 0.057(2) 0.060(3) -0.001(2) -0.0006(18) 0.0085(16) C11 0.038(2) 0.087(3) 0.079(4) -0.005(3) 0.006(2) 0.011(2) C12 0.0336(15) 0.0355(15) 0.0335(19) -0.0008(13) 0.0025(14) 0.0001(12) C13 0.0358(18) 0.0397(17) 0.060(3) 0.0011(19) 0.009(2) 0.0032(13) C14 0.043(2) 0.0359(17) 0.074(3) -0.0031(18) 0.008(2) 0.0050(14) C15 0.042(2) 0.0369(17) 0.049(2) -0.0033(15) 0.0033(17) -0.0032(13) C16 0.0349(17) 0.0419(17) 0.042(2) -0.0045(15) 0.0066(15) -0.0026(13) C17 0.0353(17) 0.0360(16) 0.036(2) -0.0029(14) 0.0029(15) 0.0026(12) C18 0.0344(17) 0.0441(17) 0.035(2) 0.0037(15) -0.0010(15) 0.0015(14) C19 0.050(3) 0.136(5) 0.040(3) 0.001(3) -0.011(2) 0.026(3) C20 0.047(2) 0.120(5) 0.061(3) -0.006(3) -0.015(2) 0.032(3) C21 0.0377(19) 0.059(2) 0.056(3) -0.003(2) -0.0036(18) 0.0090(17) C22 0.038(2) 0.094(4) 0.086(4) -0.004(3) 0.004(2) 0.011(2) _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 1.429(3) . ? S1 O2 1.431(2) . ? S1 N2 1.649(4) . ? S1 C1 1.737(3) . ? S2 O4 1.428(3) . ? S2 O3 1.434(2) . ? S2 N6 1.648(4) . ? S2 C12 1.732(3) . ? N1 C4 1.354(5) . ? N1 H1N1 0.83(5) . ? N1 H2N1 0.81(5) . ? N2 C7 1.381(5) . ? N2 H1N2 0.74(4) . ? N3 C7 1.330(4) . ? N3 C10 1.341(5) . ? N4 C7 1.331(5) . ? N4 C8 1.338(6) . ? N5 C15 1.361(5) . ? N5 H5A 0.8600 . ? N5 H5B 0.8600 . ? N6 C18 1.384(5) . ? N6 H1N6 0.93(5) . ? N7 C18 1.324(4) . ? N7 C21 1.340(5) . ? N8 C19 1.338(5) . ? N8 C18 1.338(5) . ? C1 C6 1.391(5) . ? C1 C2 1.396(4) . ? C2 C3 1.372(5) . ? C2 H2 0.9300 . ? C3 C4 1.404(5) . ? C3 H3 0.9300 . ? C4 C5 1.405(5) . ? C5 C6 1.373(5) . ? C5 H5 0.9300 . ? C6 H6 0.9300 . ? C8 C9 1.364(7) . ? C8 H8 0.9300 . ? C9 C10 1.375(7) . ? C9 H9 0.9300 . ? C10 C11 1.489(6) . ? C11 H11A 0.9600 . ? C11 H11B 0.9600 . ? C11 H11C 0.9600 . ? C12 C13 1.389(5) . ? C12 C17 1.393(4) . ? C13 C14 1.376(5) . ? C13 H13 0.9300 . ? C14 C15 1.401(5) . ? C14 H14 0.9300 . ? C15 C16 1.395(5) . ? C16 C17 1.382(5) . ? C16 H16 0.9300 . ? C17 H17 0.9300 . ? C19 C20 1.368(7) . ? C19 H19 0.9300 . ? C20 C21 1.380(7) . ? C20 H20 0.9300 . ? C21 C22 1.493(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 119.21(17) . . ? O1 S1 N2 109.17(18) . . ? O2 S1 N2 102.29(17) . . ? O1 S1 C1 109.17(18) . . ? O2 S1 C1 109.77(15) . . ? N2 S1 C1 106.37(19) . . ? O4 S2 O3 119.11(18) . . ? O4 S2 N6 109.12(17) . . ? O3 S2 N6 102.07(17) . . ? O4 S2 C12 108.96(17) . . ? O3 S2 C12 109.54(16) . . ? N6 S2 C12 107.33(18) . . ? C4 N1 H1N1 118(3) . . ? C4 N1 H2N1 115(3) . . ? H1N1 N1 H2N1 121(4) . . ? C7 N2 S1 126.1(3) . . ? C7 N2 H1N2 115(4) . . ? S1 N2 H1N2 114(4) . . ? C7 N3 C10 116.8(3) . . ? C7 N4 C8 115.2(4) . . ? C15 N5 H5A 120.0 . . ? C15 N5 H5B 120.0 . . ? H5A N5 H5B 120.0 . . ? C18 N6 S2 125.9(3) . . ? C18 N6 H1N6 120(3) . . ? S2 N6 H1N6 110(3) . . ? C18 N7 C21 116.4(3) . . ? C19 N8 C18 114.5(4) . . ? C6 C1 C2 120.0(3) . . ? C6 C1 S1 118.9(3) . . ? C2 C1 S1 121.1(2) . . ? C3 C2 C1 120.0(3) . . ? C3 C2 H2 120.0 . . ? C1 C2 H2 120.0 . . ? C2 C3 C4 120.5(3) . . ? C2 C3 H3 119.7 . . ? C4 C3 H3 119.7 . . ? N1 C4 C3 120.3(3) . . ? N1 C4 C5 120.8(3) . . ? C3 C4 C5 118.9(3) . . ? C6 C5 C4 120.4(3) . . ? C6 C5 H5 119.8 . . ? C4 C5 H5 119.8 . . ? C5 C6 C1 120.2(3) . . ? C5 C6 H6 119.9 . . ? C1 C6 H6 119.9 . . ? N3 C7 N4 126.8(3) . . ? N3 C7 N2 118.3(3) . . ? N4 C7 N2 114.9(3) . . ? N4 C8 C9 122.4(5) . . ? N4 C8 H8 118.8 . . ? C9 C8 H8 118.8 . . ? C8 C9 C10 118.3(4) . . ? C8 C9 H9 120.8 . . ? C10 C9 H9 120.8 . . ? N3 C10 C9 120.4(4) . . ? N3 C10 C11 116.3(4) . . ? C9 C10 C11 123.3(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 120.2(3) . . ? C13 C12 S2 119.1(3) . . ? C17 C12 S2 120.8(2) . . ? C14 C13 C12 119.8(3) . . ? C14 C13 H13 120.1 . . ? C12 C13 H13 120.1 . . ? C13 C14 C15 120.9(3) . . ? C13 C14 H14 119.5 . . ? C15 C14 H14 119.5 . . ? N5 C15 C16 120.3(4) . . ? N5 C15 C14 121.0(3) . . ? C16 C15 C14 118.7(3) . . ? C17 C16 C15 120.6(3) . . ? C17 C16 H16 119.7 . . ? C15 C16 H16 119.7 . . ? C16 C17 C12 119.8(3) . . ? C16 C17 H17 120.1 . . ? C12 C17 H17 120.1 . . ? N7 C18 N8 127.6(4) . . ? N7 C18 N6 118.8(3) . . ? N8 C18 N6 113.6(3) . . ? N8 C19 C20 122.6(5) . . ? N8 C19 H19 118.7 . . ? C20 C19 H19 118.7 . . ? C19 C20 C21 118.2(4) . . ? C19 C20 H20 120.9 . . ? C21 C20 H20 120.9 . . ? N7 C21 C20 120.6(4) . . ? N7 C21 C22 116.5(4) . . ? C20 C21 C22 123.0(4) . . ? 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 60.0(4) . . . . ? O2 S1 N2 C7 -172.8(3) . . . . ? C1 S1 N2 C7 -57.7(4) . . . . ? O4 S2 N6 C18 -57.0(4) . . . . ? O3 S2 N6 C18 176.1(3) . . . . ? C12 S2 N6 C18 61.0(4) . . . . ? O1 S1 C1 C6 162.3(3) . . . . ? O2 S1 C1 C6 29.9(4) . . . . ? N2 S1 C1 C6 -80.0(3) . . . . ? O1 S1 C1 C2 -17.9(4) . . . . ? O2 S1 C1 C2 -150.3(3) . . . . ? N2 S1 C1 C2 99.7(3) . . . . ? C6 C1 C2 C3 0.1(5) . . . . ? S1 C1 C2 C3 -179.6(3) . . . . ? C1 C2 C3 C4 -0.6(5) . . . . ? C2 C3 C4 N1 179.1(4) . . . . ? C2 C3 C4 C5 0.8(6) . . . . ? N1 C4 C5 C6 -178.8(4) . . . . ? C3 C4 C5 C6 -0.5(6) . . . . ? C4 C5 C6 C1 0.0(6) . . . . ? C2 C1 C6 C5 0.2(6) . . . . ? S1 C1 C6 C5 180.0(4) . . . . ? C10 N3 C7 N4 0.3(6) . . . . ? C10 N3 C7 N2 -179.5(3) . . . . ? C8 N4 C7 N3 -2.0(7) . . . . ? C8 N4 C7 N2 177.8(4) . . . . ? S1 N2 C7 N3 -14.9(5) . . . . ? S1 N2 C7 N4 165.2(3) . . . . ? C7 N4 C8 C9 1.5(8) . . . . ? N4 C8 C9 C10 0.6(10) . . . . ? C7 N3 C10 C9 1.9(6) . . . . ? C7 N3 C10 C11 -178.8(4) . . . . ? C8 C9 C10 N3 -2.3(8) . . . . ? C8 C9 C10 C11 178.4(5) . . . . ? O4 S2 C12 C13 -157.6(3) . . . . ? O3 S2 C12 C13 -25.7(4) . . . . ? N6 S2 C12 C13 84.3(3) . . . . ? O4 S2 C12 C17 22.4(4) . . . . ? O3 S2 C12 C17 154.3(3) . . . . ? N6 S2 C12 C17 -95.6(3) . . . . ? C17 C12 C13 C14 0.1(6) . . . . ? S2 C12 C13 C14 -179.8(4) . . . . ? C12 C13 C14 C15 -0.1(7) . . . . ? C13 C14 C15 N5 179.3(5) . . . . ? C13 C14 C15 C16 0.0(7) . . . . ? N5 C15 C16 C17 -179.2(4) . . . . ? C14 C15 C16 C17 0.2(6) . . . . ? C15 C16 C17 C12 -0.2(6) . . . . ? C13 C12 C17 C16 0.0(6) . . . . ? S2 C12 C17 C16 180.0(3) . . . . ? C21 N7 C18 N8 -1.2(6) . . . . ? C21 N7 C18 N6 178.6(4) . . . . ? C19 N8 C18 N7 2.2(7) . . . . ? C19 N8 C18 N6 -177.6(4) . . . . ? S2 N6 C18 N7 11.6(5) . . . . ? S2 N6 C18 N8 -168.6(3) . . . . ? C18 N8 C19 C20 -0.7(8) . . . . ? N8 C19 C20 C21 -1.6(10) . . . . ? C18 N7 C21 C20 -1.4(6) . . . . ? C18 N7 C21 C22 178.8(4) . . . . ? C19 C20 C21 N7 2.7(9) . . . . ? C19 C20 C21 C22 -177.5(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 3.088(5) 153.2 1_545 N1 H1N1 O4 0.83(5) 2.55(5) 3.268(5) 147(4) 4_654 N1 H2N1 O1 0.81(5) 2.27(5) 3.053(5) 162(4) 1_565 N2 H1N2 N8 0.74(4) 2.20(4) 2.937(5) 175(4) . N6 H1N6 N4 0.93(5) 1.99(5) 2.916(5) 177(5) . _refine_diff_density_max 0.228 _refine_diff_density_min -0.296 _refine_diff_density_rms 0.045 _shelx_res_file ; 260k_smz-f1_a.res created by SHELXL-2014/7 TITL 260k_smz-f1_a.res in Pna2(1) REM Old TITL 006_260K_SulfamerazineF1_ in Pna2(1) REM SHELXT solution in Pna2(1) REM R1 0.104, Rweak 0.020, Alpha 0.003, Orientation as input REM Flack x = 0.033 ( 0.043 ) from Parsons' quotients REM Formula found by SHELXT: C26 N4 O4 S2 CELL 0.68890 14.4914 8.2069 21.9332 90.000 90.000 90.000 ZERR 8.000 0.0001 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 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 0.40910 0.35344 S1 5 0.646464 0.495582 0.344368 11.00000 0.03300 0.03841 = 0.03564 0.00309 -0.00138 -0.00218 S2 5 0.577814 0.495412 0.652498 11.00000 0.03183 0.03801 = 0.03396 0.00377 -0.00174 -0.00219 O1 4 0.689797 0.371215 0.308878 11.00000 0.05570 0.03806 = 0.04568 -0.00639 0.00259 -0.00194 O2 4 0.549390 0.522549 0.337846 11.00000 0.03411 0.05697 = 0.04750 0.00833 -0.00769 -0.00738 O3 4 0.675097 0.468096 0.658755 11.00000 0.03332 0.05644 = 0.04330 0.00866 -0.00557 -0.00231 O4 4 0.535451 0.622724 0.686925 11.00000 0.05160 0.03540 = 0.04998 -0.00387 -0.00084 -0.00289 N1 3 0.842924 1.115862 0.312387 11.00000 0.04764 0.04037 = 0.07553 -0.00934 0.02123 -0.00501 N2 3 0.655772 0.449437 0.417298 11.00000 0.02858 0.05339 = 0.03876 0.01036 -0.00027 0.00146 N3 3 0.814798 0.409768 0.417647 11.00000 0.03246 0.04606 = 0.04628 0.00466 0.00105 0.00355 N4 3 0.728165 0.428912 0.509541 11.00000 0.04023 0.09094 = 0.03771 0.00715 -0.00076 0.01492 N5 3 0.380626 -0.119787 0.695783 11.00000 0.05736 0.04019 = 0.10451 -0.00681 0.02224 -0.01007 AFIX 93 H5A 2 0.324300 -0.118468 0.708121 11.00000 -1.30000 H5B 2 0.408016 -0.211186 0.689433 11.00000 -1.30000 AFIX 0 N6 3 0.568158 0.536946 0.579249 11.00000 0.03078 0.06133 = 0.03487 0.01125 0.00382 0.00330 N7 3 0.409680 0.585271 0.579907 11.00000 0.03560 0.05002 = 0.04526 0.00433 0.00424 0.00537 N8 3 0.496366 0.566147 0.487528 11.00000 0.04119 0.08503 = 0.04054 0.00768 -0.00332 0.01445 C1 1 0.705528 0.677788 0.334202 11.00000 0.03184 0.03523 = 0.03161 0.00326 0.00043 0.00048 C2 1 0.795102 0.679979 0.310736 11.00000 0.03394 0.03710 = 0.03226 -0.00051 0.00015 0.00501 AFIX 43 H2 2 0.823976 0.582888 0.300053 11.00000 -1.30000 AFIX 0 C3 1 0.840495 0.825349 0.303444 11.00000 0.02833 0.04362 = 0.03035 -0.00224 0.00307 -0.00002 AFIX 43 H3 2 0.900354 0.826201 0.288159 11.00000 -1.30000 AFIX 0 C4 1 0.797334 0.972868 0.318866 11.00000 0.03746 0.03653 = 0.03560 -0.00157 0.00067 -0.00245 C5 1 0.707306 0.968921 0.342575 11.00000 0.04056 0.03780 = 0.04609 -0.00362 0.00908 0.00472 AFIX 43 H5 2 0.678032 1.065636 0.353260 11.00000 -1.30000 AFIX 0 C6 1 0.662302 0.823086 0.350061 11.00000 0.03343 0.04005 = 0.04651 -0.00163 0.00925 0.00426 AFIX 43 H6 2 0.602711 0.821422 0.365787 11.00000 -1.30000 AFIX 0 C7 1 0.737078 0.428447 0.449166 11.00000 0.03236 0.04124 = 0.04103 0.00766 0.00093 0.00283 C8 1 0.806242 0.403128 0.540674 11.00000 0.05263 0.13141 = 0.04556 0.00744 -0.00589 0.02676 AFIX 43 H8 2 0.803755 0.399715 0.583024 11.00000 -1.30000 AFIX 0 C9 1 0.889317 0.381676 0.512580 11.00000 0.04077 0.11593 = 0.05554 0.00089 -0.01071 0.02038 AFIX 43 H9 2 0.942553 0.362977 0.535202 11.00000 -1.30000 AFIX 0 C10 1 0.892395 0.388383 0.449984 11.00000 0.03446 0.05655 = 0.06042 -0.00149 -0.00061 0.00850 C11 1 0.979268 0.371075 0.414280 11.00000 0.03836 0.08722 = 0.07891 -0.00522 0.00615 0.01073 AFIX 137 H11A 2 0.986671 0.259593 0.401961 11.00000 -1.30000 H11B 2 1.030772 0.403091 0.439064 11.00000 -1.30000 H11C 2 0.976356 0.439386 0.378802 11.00000 -1.30000 AFIX 0 C12 1 0.518966 0.315136 0.665714 11.00000 0.03363 0.03548 = 0.03348 -0.00085 0.00255 0.00015 C13 1 0.563758 0.167953 0.655500 11.00000 0.03577 0.03971 = 0.05980 0.00109 0.00888 0.00317 AFIX 43 H13 2 0.624517 0.166970 0.641854 11.00000 -1.30000 AFIX 0 C14 1 0.517920 0.023686 0.665641 11.00000 0.04278 0.03590 = 0.07376 -0.00305 0.00753 0.00502 AFIX 43 H14 2 0.548073 -0.074605 0.658687 11.00000 -1.30000 AFIX 0 C15 1 0.426427 0.022798 0.686305 11.00000 0.04227 0.03694 = 0.04868 -0.00325 0.00328 -0.00323 C16 1 0.382399 0.171514 0.696519 11.00000 0.03489 0.04189 = 0.04238 -0.00453 0.00657 -0.00261 AFIX 43 H16 2 0.321743 0.172873 0.710360 11.00000 -1.30000 AFIX 0 C17 1 0.428038 0.316801 0.686270 11.00000 0.03527 0.03603 = 0.03619 -0.00291 0.00291 0.00257 AFIX 43 H17 2 0.398124 0.415393 0.693078 11.00000 -1.30000 AFIX 0 C18 1 0.486480 0.564184 0.548197 11.00000 0.03442 0.04412 = 0.03507 0.00367 -0.00096 0.00147 C19 1 0.418841 0.598389 0.456672 11.00000 0.04991 0.13583 = 0.03989 0.00132 -0.01106 0.02615 AFIX 43 H19 2 0.421294 0.602671 0.414332 11.00000 -1.30000 AFIX 0 C20 1 0.336078 0.625312 0.484980 11.00000 0.04726 0.12037 = 0.06064 -0.00565 -0.01502 0.03248 AFIX 43 H20 2 0.283464 0.650102 0.462543 11.00000 -1.30000 AFIX 0 C21 1 0.332839 0.614664 0.547731 11.00000 0.03768 0.05946 = 0.05622 -0.00314 -0.00363 0.00905 C22 1 0.245876 0.635078 0.583397 11.00000 0.03768 0.09416 = 0.08627 -0.00355 0.00417 0.01112 AFIX 137 H22A 2 0.248791 0.734510 0.606371 11.00000 -1.30000 H22B 2 0.238633 0.544699 0.610769 11.00000 -1.30000 H22C 2 0.194277 0.639152 0.555990 11.00000 -1.30000 AFIX 0 H1N1 2 0.891186 1.115366 0.292348 11.00000 0.05541 H2N1 2 0.811342 1.196579 0.315014 11.00000 0.05722 H1N2 2 0.615217 0.473422 0.435906 11.00000 0.03503 H1N6 2 0.620673 0.502660 0.558399 11.00000 0.05883 HKLF 4 REM 260k_smz-f1_a.res in Pna2(1) REM R1 = 0.0476 for 5884 Fo > 4sig(Fo) and 0.0674 for all 7727 data REM 344 parameters refined using 1 restraints END WGHT 0.0486 0.3863 REM Highest difference peak 0.228, deepest hole -0.296, 1-sigma level 0.045 Q1 1 0.6937 0.5858 0.3444 11.00000 0.05 0.23 Q2 1 0.8112 0.7593 0.3065 11.00000 0.05 0.20 Q3 1 0.7540 0.9569 0.3305 11.00000 0.05 0.20 Q4 1 0.5459 0.3851 0.6594 11.00000 0.05 0.19 Q5 1 0.4742 0.3287 0.6723 11.00000 0.05 0.19 Q6 1 0.7453 0.6873 0.3216 11.00000 0.05 0.19 Q7 1 0.5405 0.2565 0.6496 11.00000 0.05 0.19 Q8 1 0.8197 0.9004 0.3189 11.00000 0.05 0.18 Q9 1 0.5514 0.0893 0.6660 11.00000 0.05 0.18 Q10 1 0.5172 0.4338 0.6544 11.00000 0.05 0.17 Q11 1 0.2690 0.5745 0.4679 11.00000 0.05 0.17 Q12 1 0.9504 0.5282 0.5609 11.00000 0.05 0.17 Q13 1 0.6627 0.4421 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-2 -14 5.50 1.77 2 -2 -13 586.67 16.97 2 2 -13 573.65 14.33 2 2 -13 574.50 12.92 2 -2 -13 556.33 15.03 -2 -2 -13 578.68 16.92 2 2 -12 140.29 6.29 2 2 -12 150.09 6.94 2 -2 -12 134.32 7.12 -2 -2 -12 135.74 7.82 2 -2 -12 138.04 7.93 2 2 -11 3.46 1.02 2 2 -11 3.58 1.04 -2 -2 -11 3.35 1.79 2 -2 -11 2.47 1.02 -2 2 -11 3.03 0.52 2 -2 -11 2.04 1.15 2 2 -10 93.59 4.87 -2 2 -10 79.57 2.83 2 -2 -10 86.76 6.01 -2 -2 -10 79.40 5.68 2 -2 -10 86.25 5.50 2 2 -10 95.47 5.05 -2 2 -9 454.06 7.30 2 -2 -9 470.64 12.56 2 2 -9 436.99 10.77 -2 -2 -9 449.42 12.95 2 2 -9 443.67 9.99 2 -2 -9 435.92 13.12 2 2 -8 23.67 2.06 -2 -2 -8 29.19 3.17 2 -2 -8 22.88 3.05 -2 2 -8 30.07 1.98 2 -2 -8 29.30 3.05 2 2 -8 30.83 2.77 2 -2 -7 427.86 11.45 -2 2 -7 437.42 7.92 2 2 -7 435.76 10.37 2 -2 -7 419.05 11.82 2 2 -7 442.91 8.11 -2 -2 -7 449.49 11.83 2 -2 -6 26.07 2.78 -2 2 -6 22.10 1.89 2 2 -6 22.30 1.62 2 2 -6 22.94 1.35 -2 -2 -6 21.76 2.53 2 2 -6 21.20 2.24 -2 2 -5 54.72 3.05 2 -2 -5 55.56 3.86 2 -2 -5 59.71 4.14 2 2 -5 50.27 3.51 -2 -2 -5 53.19 3.61 2 2 -5 58.21 2.19 2 2 -5 56.27 2.31 2 2 -4 138.77 5.70 2 -2 -4 133.02 5.96 -2 2 -4 137.78 5.00 2 -2 -4 131.21 5.83 2 2 -4 130.54 3.96 -2 -2 -4 145.71 5.60 2 -2 -3 2066.56 22.71 2 2 -3 2018.68 21.78 2 2 -3 2073.08 17.03 2 -2 -3 2020.34 22.78 -2 -2 -3 2049.99 19.57 -2 -2 -2 277.81 6.58 2 2 -2 273.95 7.98 2 -2 -2 263.96 8.09 2 -2 -2 286.54 8.13 2 2 -2 271.30 6.58 2 -2 -1 702.59 12.89 2 2 -1 688.31 12.73 2 -2 -1 720.68 12.36 2 2 -1 711.32 11.26 -2 -2 -1 713.74 9.37 2 -2 0 143.39 5.34 2 2 0 123.64 4.98 2 2 0 136.57 5.65 2 2 1 712.75 12.96 2 -2 1 722.56 12.75 2 2 1 718.20 12.45 2 -2 1 723.08 11.60 2 -2 2 272.35 7.75 2 -2 2 267.78 7.16 2 2 2 284.85 8.12 2 2 2 280.60 8.18 2 2 3 1985.98 22.51 2 2 3 2027.88 21.97 2 2 4 143.81 5.99 2 2 4 129.63 5.92 2 -2 4 137.60 5.49 2 2 5 55.48 3.97 2 -2 5 52.52 3.33 2 2 5 53.21 3.61 2 2 6 21.35 2.58 2 -2 6 27.27 2.41 2 2 6 25.04 2.55 2 2 7 441.67 10.71 2 -2 7 418.84 9.65 2 2 7 446.13 11.93 2 -2 8 34.86 2.79 2 2 8 27.78 2.95 2 2 8 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4 -4 222.42 9.46 4 4 -3 78.11 5.95 4 4 -3 93.01 5.60 4 -4 -3 79.24 5.87 4 -4 -3 82.82 6.28 4 -4 -2 5.91 1.77 4 -4 -2 8.44 2.08 4 4 -2 4.60 1.17 4 4 -2 6.60 1.54 4 4 -1 5.18 1.49 4 -4 -1 3.60 1.52 4 -4 -1 3.88 1.65 4 4 -1 7.35 2.14 4 -4 0 10.23 2.10 4 -4 0 11.75 2.33 4 4 0 8.12 2.17 4 4 0 9.21 1.89 4 4 1 2.71 1.43 4 -4 1 3.67 1.60 4 4 1 5.33 1.65 4 -4 1 4.13 1.39 4 4 2 6.66 1.51 4 -4 2 8.43 1.96 4 4 2 5.65 1.66 4 -4 2 8.37 1.89 4 4 3 86.42 6.12 4 4 3 86.44 6.26 4 -4 3 83.23 5.72 4 -4 3 91.02 6.49 4 4 4 220.89 10.10 4 4 4 231.64 10.12 4 -4 4 226.19 9.30 4 -4 4 219.89 9.89 4 -4 5 61.38 4.91 4 4 5 63.01 5.40 4 -4 5 67.48 5.57 4 4 5 61.74 5.33 4 4 6 15.36 2.76 4 -4 6 16.17 2.77 4 4 6 7.70 1.88 4 -4 6 15.18 2.53 4 4 7 108.82 7.17 4 -4 7 129.10 7.49 4 4 7 111.21 7.40 4 4 8 16.96 3.00 4 4 8 15.11 3.11 4 -4 8 7.99 2.05 4 4 9 75.67 6.28 4 4 9 68.50 5.79 4 -4 9 59.84 5.23 4 4 10 93.22 7.21 4 -4 10 105.10 6.88 4 -4 11 112.40 7.31 4 4 11 112.82 7.62 4 4 11 106.76 7.92 4 -4 12 86.45 6.50 4 4 12 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-16 50.74 5.78 4 5 -15 80.57 7.06 4 -5 -15 67.91 7.04 4 -5 -15 62.77 6.69 -4 -5 -15 74.26 7.07 -4 -5 -14 10.92 2.90 4 5 -14 7.33 1.83 4 -5 -14 4.98 1.94 4 -5 -14 8.32 2.92 4 -5 -13 63.12 6.48 -4 -5 -13 50.62 5.78 4 -5 -13 62.28 6.50 4 5 -13 65.81 6.27 4 5 -12 68.49 6.21 -4 -5 -12 64.85 6.36 4 -5 -12 59.10 6.13 4 -5 -12 58.51 6.01 4 5 -11 1.35 1.30 4 -5 -11 3.38 1.46 -4 -5 -11 0.89 1.04 -4 5 -11 2.29 1.53 4 -5 -11 2.05 0.89 4 5 -10 31.23 4.26 -4 5 -10 29.63 3.79 -4 -5 -10 36.18 4.39 4 -5 -10 35.07 4.56 4 -5 -10 28.36 4.38 4 5 -9 20.42 3.36 -4 5 -9 24.19 3.46 -4 -5 -9 24.87 3.62 4 -5 -9 20.98 3.33 4 -5 -9 21.39 3.83 4 5 -9 18.65 2.54 4 5 -8 9.80 1.96 -4 5 -8 12.35 2.58 4 5 -8 12.05 2.62 -4 -5 -8 11.39 2.61 4 -5 -8 9.30 2.51 4 -5 -8 10.42 2.00 4 -5 -7 18.68 3.37 4 5 -7 15.98 2.46 -4 -5 -7 17.46 3.01 -4 5 -7 21.49 3.31 4 -5 -7 14.26 3.02 4 5 -7 14.07 2.80 4 5 -6 5.92 1.55 4 5 -6 6.92 2.09 -4 5 -6 6.75 1.81 -4 -5 -6 5.33 2.00 4 -5 -6 8.54 2.23 4 -5 -6 6.12 2.08 -4 -5 -5 11.91 2.34 -4 5 -5 10.85 2.34 4 -5 -5 11.68 2.73 4 -5 -5 10.42 2.34 4 5 -5 8.81 1.95 4 5 -5 12.68 2.80 4 -5 -4 51.35 5.12 4 5 -4 49.68 5.17 -4 -5 -4 51.81 4.21 4 5 -4 48.93 4.58 -4 5 -4 49.62 5.06 4 -5 -4 55.44 5.61 4 5 -3 14.95 2.90 4 5 -3 15.58 2.50 4 -5 -3 11.50 2.33 -4 5 -3 12.16 2.33 4 -5 -3 12.79 2.73 4 -5 -2 1.87 1.39 4 5 -2 -1.30 1.26 4 5 -2 0.77 0.77 4 -5 -2 -0.12 0.79 -4 5 -2 1.77 1.55 4 5 -1 37.55 4.53 4 -5 -1 41.17 4.36 -4 5 -1 43.19 4.74 4 -5 -1 32.99 4.11 4 5 -1 43.87 4.50 4 5 0 17.16 2.78 4 5 0 17.63 3.12 -4 5 0 14.01 2.60 4 -5 0 22.32 3.47 4 -5 0 16.99 2.78 4 5 1 39.66 4.38 4 5 1 43.72 4.96 -4 5 1 49.07 5.17 4 -5 1 38.01 4.04 4 -5 1 34.16 4.45 4 -5 2 1.16 0.74 4 5 2 1.15 0.79 4 5 2 0.95 0.99 4 -5 2 0.88 0.78 4 -5 3 11.21 2.58 4 -5 3 7.00 1.92 4 5 3 8.92 2.51 4 5 4 63.11 5.83 4 5 4 54.53 5.28 4 -5 4 54.87 5.00 4 -5 4 44.15 4.75 4 5 5 11.56 2.63 4 5 5 14.73 2.82 4 -5 5 11.77 2.55 4 -5 5 8.40 2.09 4 -5 6 3.66 1.50 4 -5 6 2.75 1.19 4 5 6 4.89 1.76 4 5 6 5.06 1.89 4 -5 7 12.59 2.50 4 5 7 12.51 2.59 4 5 7 19.25 3.45 4 -5 7 15.86 3.04 4 5 8 12.13 2.67 4 5 8 9.97 2.08 4 -5 8 9.83 2.08 4 -5 8 13.64 2.46 4 5 9 22.13 3.54 4 5 9 18.49 3.10 4 -5 9 20.49 3.10 4 -5 9 19.91 3.32 4 5 10 32.61 4.39 4 5 10 36.27 4.85 4 -5 10 36.22 4.34 4 -5 11 1.16 0.88 4 5 11 6.79 2.32 4 5 11 5.97 1.99 4 5 12 59.47 5.94 4 5 12 55.44 6.05 4 -5 12 62.13 5.73 4 5 13 41.96 5.33 4 5 13 56.82 5.87 4 -5 13 52.56 5.33 4 5 14 5.50 2.48 4 5 14 3.55 1.96 4 -5 14 4.39 1.97 4 5 15 75.15 7.32 4 5 15 79.41 7.28 4 -5 15 74.65 6.70 4 5 16 49.78 5.93 -4 5 16 38.28 5.19 4 5 17 48.30 5.94 -4 5 17 43.04 5.76 4 5 17 45.34 5.79 4 5 18 12.40 3.45 -4 5 18 11.03 3.08 4 5 18 5.67 2.15 4 5 19 2.60 1.86 -4 5 19 -0.43 1.79 -4 5 20 12.02 3.63 4 5 20 2.53 2.18 4 5 21 0.54 1.41 -4 5 21 0.99 2.06 -4 5 22 2.90 1.64 -4 5 22 0.18 1.81 4 5 22 5.75 3.07 4 5 23 1.69 2.40 -4 5 23 2.67 1.68 4 5 24 7.11 2.66 4 5 25 -0.07 1.73 4 5 26 0.17 1.80 4 5 27 1.70 1.23 -4 -6 -26 6.78 3.06 4 -6 -26 10.15 3.28 4 -6 -25 8.04 3.23 -4 -6 -25 4.20 1.28 4 -6 -24 10.59 2.80 -4 -6 -24 4.08 2.80 -4 -6 -23 7.20 2.76 4 -6 -23 17.06 4.04 -4 -6 -22 8.06 2.74 4 -6 -22 11.08 3.19 -4 -6 -21 30.68 5.36 4 -6 -21 34.68 5.73 4 -6 -20 89.84 8.60 -4 -6 -20 68.01 7.54 4 -6 -19 4.04 3.35 -4 -6 -19 3.43 2.17 -4 -6 -18 3.42 0.90 4 -6 -18 4.88 2.96 4 -6 -18 5.13 2.09 -4 -6 -17 27.76 4.82 4 -6 -17 38.33 5.41 4 -6 -17 40.46 5.71 -4 -6 -16 8.16 2.71 4 -6 -16 12.64 3.25 4 -6 -16 9.07 2.73 4 -6 -15 224.60 13.22 4 -6 -15 224.62 13.09 -4 -6 -15 253.26 13.61 4 6 -15 222.46 12.62 4 -6 -14 54.52 6.66 -4 -6 -14 50.68 6.21 4 6 -14 55.99 6.34 4 -6 -14 55.90 6.32 4 6 -13 14.66 3.41 -4 -6 -13 11.21 3.20 4 -6 -13 9.15 2.70 4 -6 -13 7.40 2.02 4 6 -12 12.86 3.15 4 -6 -12 21.37 4.17 -4 -6 -12 15.45 3.22 4 -6 -12 18.49 3.69 4 -6 -11 231.58 12.95 4 6 -11 232.14 12.26 -4 6 -11 203.02 10.94 -4 -6 -11 235.32 12.20 4 -6 -11 226.42 12.45 4 6 -10 48.88 5.64 -4 6 -10 48.87 5.40 -4 -6 -10 45.25 5.15 4 -6 -10 46.85 5.97 4 -6 -10 51.96 5.80 4 6 -9 96.09 7.74 -4 6 -9 106.30 7.89 4 -6 -9 106.69 8.19 4 -6 -9 88.03 7.79 -4 -6 -9 100.13 7.37 4 6 -8 26.09 4.05 4 6 -8 28.08 3.79 -4 -6 -8 26.17 3.70 -4 6 -8 24.32 3.80 4 -6 -8 31.02 4.44 4 -6 -8 26.38 4.46 4 6 -7 7.91 2.01 4 6 -7 6.96 2.56 4 -6 -7 8.16 2.30 -4 -6 -7 8.73 2.29 -4 6 -7 8.68 2.55 4 -6 -7 9.16 2.17 -4 6 -6 92.45 7.52 4 -6 -6 73.65 6.66 -4 -6 -6 87.28 6.52 4 6 -6 97.44 6.85 4 6 -6 105.86 8.21 4 -6 -6 100.10 8.17 4 6 -5 150.53 8.59 -4 -6 -5 151.97 8.26 -4 6 -5 142.08 9.11 4 -6 -5 145.01 9.11 4 -6 -5 161.66 10.28 4 6 -5 160.77 10.07 4 6 -4 2.77 1.77 -4 -6 -4 1.68 0.50 4 -6 -4 2.11 1.21 4 6 -4 2.00 0.89 4 -6 -4 2.31 2.53 -4 6 -4 4.78 1.85 4 6 -3 70.79 6.03 -4 6 -3 74.20 6.79 4 6 -3 64.36 6.32 4 -6 -3 75.34 6.51 4 -6 -3 72.04 6.92 4 6 -2 8.94 2.50 4 6 -2 11.60 2.31 -4 6 -2 12.67 3.06 4 -6 -2 13.78 2.62 4 -6 -2 7.89 2.57 4 -6 -1 99.66 7.77 -4 6 -1 94.02 7.57 4 6 -1 81.50 6.78 4 -6 -1 82.41 6.57 4 6 -1 82.80 7.01 4 6 0 121.07 8.50 -4 6 0 111.57 8.32 4 -6 0 109.44 7.46 4 6 0 115.21 8.11 4 -6 0 115.78 8.34 4 6 1 90.10 7.60 -4 6 1 88.62 7.41 4 6 1 83.83 6.87 4 -6 1 86.55 7.36 4 -6 1 80.55 6.29 4 -6 2 13.63 2.98 -4 6 2 15.66 3.24 4 6 2 13.46 2.91 4 6 2 6.09 1.58 4 -6 2 11.77 2.49 4 6 3 70.20 6.49 4 6 3 71.84 6.85 4 -6 3 71.49 6.07 -4 6 3 67.66 6.54 4 -6 3 83.88 7.05 4 -6 4 3.30 1.66 4 6 4 2.62 1.51 -4 6 4 2.42 1.38 4 6 4 2.11 1.35 4 -6 4 3.39 1.05 4 -6 5 137.27 8.29 4 6 5 129.19 9.21 -4 6 5 153.75 10.00 4 6 5 149.15 9.53 4 -6 5 135.63 8.84 4 6 6 106.44 8.27 4 6 6 103.19 8.01 4 -6 6 100.11 7.09 -4 6 6 96.97 8.01 4 -6 6 105.89 7.88 4 -6 7 7.42 2.27 -4 6 7 9.32 2.60 4 6 7 8.19 2.39 4 6 7 9.52 2.84 4 -6 7 7.54 2.10 4 6 8 22.81 3.77 4 6 8 25.53 4.10 -4 6 8 27.11 4.36 4 -6 8 21.64 3.35 4 -6 8 24.43 3.81 4 -6 9 84.86 6.76 4 6 9 104.77 8.38 4 -6 9 89.25 7.33 -4 6 9 94.07 8.04 4 6 10 54.79 6.04 4 6 10 44.09 5.43 -4 6 10 52.50 6.09 4 -6 10 45.74 5.07 4 -6 10 56.95 5.86 4 6 11 217.96 12.45 4 6 11 234.05 12.91 -4 6 11 233.41 13.02 4 -6 11 219.91 11.01 4 -6 11 231.10 11.93 4 -6 12 17.30 3.27 4 6 12 31.06 4.73 4 -6 12 17.91 3.38 4 6 12 24.52 4.33 -4 6 12 25.39 4.64 4 -6 13 12.06 2.64 4 6 13 13.57 2.96 4 6 13 10.28 2.91 -4 6 13 12.65 3.35 4 6 14 55.04 6.20 4 6 14 59.37 6.79 -4 6 14 42.15 6.07 4 -6 14 59.95 6.32 4 6 15 255.83 13.76 4 6 15 220.35 13.12 -4 6 15 238.60 13.75 4 6 16 10.70 3.02 -4 6 16 14.41 3.23 4 6 16 7.51 2.04 4 6 17 29.72 5.20 -4 6 17 32.37 5.32 4 6 17 32.22 5.30 4 6 18 3.70 1.68 -4 6 18 3.19 1.64 4 6 19 5.74 2.50 4 6 19 2.34 1.88 -4 6 19 1.69 1.27 4 6 20 76.82 8.21 -4 6 20 64.39 7.90 4 6 21 40.04 6.15 -4 6 21 36.58 6.00 4 6 22 7.36 2.56 -4 6 22 6.44 2.88 -4 6 22 9.00 2.83 -4 6 23 23.18 5.45 -4 6 23 15.25 4.50 4 6 23 21.23 4.58 -4 6 24 12.39 3.55 4 6 24 12.73 3.80 4 6 25 3.32 2.34 4 6 26 7.39 2.99 4 -7 -24 1.76 2.24 -4 -7 -24 0.79 2.03 4 -7 -23 -1.04 2.82 -4 -7 -23 1.91 1.36 -4 -7 -22 2.44 1.31 4 -7 -22 4.90 2.54 4 -7 -21 2.97 2.11 -4 -7 -21 1.22 2.11 -4 -7 -20 7.50 3.13 4 -7 -20 7.14 2.32 -4 -7 -19 18.05 4.10 4 -7 -19 10.17 3.28 4 -7 -18 14.20 3.67 -4 -7 -18 26.19 4.63 4 -7 -18 19.27 4.20 4 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-5 10.03 3.12 4 -7 -5 13.74 3.08 4 7 -5 14.70 3.43 -4 7 -5 14.41 3.34 4 7 -5 11.28 2.64 4 7 -4 1.86 1.06 4 7 -4 6.71 2.35 -4 7 -4 3.30 0.75 4 -7 -4 6.64 2.08 4 -7 -4 2.15 0.88 -4 7 -3 7.71 2.51 4 7 -3 4.03 1.94 4 -7 -3 7.06 1.90 4 7 -3 4.25 1.74 4 -7 -3 8.05 2.87 4 7 -2 2.72 1.22 4 7 -2 6.04 2.68 4 -7 -2 3.16 0.97 4 -7 -2 6.25 2.28 -4 7 -2 3.00 1.37 4 -7 -1 5.51 1.77 4 7 -1 3.82 2.02 -4 7 -1 8.59 2.61 4 7 -1 3.83 1.70 4 -7 -1 4.79 1.95 4 -7 0 9.10 2.32 4 7 0 19.04 3.74 -4 7 0 12.06 2.96 4 -7 0 15.89 3.27 4 7 0 10.11 2.59 4 7 1 3.33 1.64 4 7 1 7.59 2.57 4 -7 1 2.21 1.63 -4 7 1 5.19 2.53 4 -7 1 7.35 2.38 4 -7 2 2.42 1.18 4 7 2 3.55 1.73 4 7 2 6.83 2.05 4 -7 2 6.00 2.38 4 7 3 7.80 2.22 4 -7 3 9.33 2.52 -4 7 3 5.50 1.63 4 7 3 11.23 2.54 4 -7 3 5.53 2.10 4 -7 4 5.27 2.38 4 7 4 5.14 2.24 -4 7 4 3.73 1.64 4 -7 4 2.36 1.61 4 7 4 5.33 1.50 4 7 5 9.07 2.48 -4 7 5 18.37 3.77 4 7 5 10.99 2.92 4 -7 5 15.79 2.97 4 -7 5 12.96 3.16 4 7 6 10.77 2.77 -4 7 6 18.01 4.29 4 7 6 17.51 3.48 4 -7 6 13.47 2.71 4 -7 6 12.60 3.18 -4 7 7 2.31 0.78 4 7 7 1.29 0.90 4 7 7 0.36 0.94 4 -7 7 0.05 1.10 4 7 8 47.21 5.85 -4 7 8 45.04 6.03 4 -7 8 36.93 5.16 4 -7 9 3.02 1.78 4 7 9 3.20 1.31 4 7 9 3.13 1.69 -4 7 9 1.97 2.07 4 7 10 47.68 6.38 4 7 10 50.18 6.29 -4 7 10 47.84 6.48 4 -7 10 43.55 5.18 4 -7 11 17.69 3.53 4 7 11 21.44 4.31 4 7 11 25.16 4.25 -4 7 11 22.63 4.35 4 7 12 7.70 3.18 4 7 12 3.95 2.28 -4 7 12 6.79 2.44 4 -7 12 3.44 1.86 4 7 13 26.05 4.61 4 7 13 28.60 4.83 -4 7 13 28.70 4.94 -4 7 14 7.49 2.19 4 7 14 7.18 2.56 4 7 14 5.09 1.97 4 7 15 3.88 2.86 4 7 15 5.02 2.56 -4 7 15 4.53 1.71 -4 7 16 15.26 3.58 4 7 16 15.12 3.79 4 7 16 8.46 3.09 -4 7 17 1.27 0.98 4 7 17 3.45 2.80 -4 7 18 21.70 5.03 4 7 18 19.22 4.87 4 7 18 19.18 4.08 4 7 19 15.06 4.58 4 7 19 19.23 3.97 -4 7 19 17.34 4.30 -4 7 20 6.61 2.55 4 7 20 8.30 3.19 4 7 21 0.54 1.16 -4 7 21 0.83 2.11 4 7 22 8.31 3.15 -4 7 22 2.08 1.64 -4 7 22 4.45 2.75 -4 7 23 4.49 2.68 -4 7 23 1.21 1.85 4 7 23 6.73 3.25 4 7 24 -1.53 2.57 -4 7 24 -2.77 2.79 4 -8 -22 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5 2 -3 182.81 6.79 5 2 -3 195.33 6.49 5 -2 -3 188.44 8.48 5 2 -2 93.28 4.94 5 -2 -2 87.59 5.61 5 -2 -2 104.58 6.33 5 2 -2 82.27 5.33 5 2 -2 88.12 4.42 5 -2 -1 49.90 4.18 5 -2 -1 39.29 3.82 5 2 -1 51.60 3.78 5 2 -1 45.14 3.88 5 2 0 265.03 9.43 5 -2 0 249.59 9.39 5 2 0 246.99 8.56 5 -2 0 261.64 9.62 5 2 1 48.06 4.04 5 -2 1 48.71 4.17 5 2 1 44.64 3.71 5 -2 1 44.37 3.98 5 2 2 88.61 5.36 5 -2 2 85.99 5.45 5 2 2 88.43 5.38 5 -2 2 86.49 5.52 5 -2 3 183.37 8.08 5 2 3 180.08 7.85 5 2 4 46.60 3.86 5 -2 4 48.33 4.23 5 2 4 47.44 4.09 5 2 5 57.75 4.72 5 -2 5 57.20 4.58 5 2 5 51.65 4.14 5 2 6 221.68 9.27 5 -2 6 199.30 8.71 5 2 6 219.73 8.45 5 2 7 359.16 10.73 5 -2 7 357.70 11.74 5 2 7 348.44 12.01 5 2 8 55.28 4.79 5 -2 8 58.14 4.82 5 2 8 56.77 4.25 5 2 9 6.46 1.62 5 2 9 2.87 1.42 5 -2 9 9.03 2.00 5 2 10 1.49 0.73 5 2 10 1.33 0.87 5 -2 10 0.20 0.84 5 -2 11 44.91 4.45 5 2 11 52.50 4.97 5 2 11 44.64 3.78 5 2 12 10.27 1.86 5 2 12 10.58 2.47 5 -2 12 8.01 1.96 5 -2 13 198.26 9.59 5 2 13 181.65 9.87 5 2 13 187.49 8.11 5 2 14 71.31 6.42 5 2 14 86.73 5.43 5 -2 14 77.45 6.19 5 2 15 390.96 11.71 5 -2 15 389.72 14.02 5 2 15 365.97 14.56 5 2 16 54.69 4.33 5 2 16 58.47 5.94 5 -2 16 56.52 5.60 5 2 17 23.56 3.87 5 -2 17 23.15 3.57 5 2 18 21.59 3.97 5 -2 18 12.51 2.81 5 -2 19 81.85 6.95 5 2 19 98.42 8.34 5 2 20 7.60 2.70 5 2 21 4.86 2.33 5 2 22 4.91 1.84 5 2 23 19.89 3.70 5 2 24 4.48 2.31 5 -3 -29 1.37 1.85 5 -3 -28 9.20 2.88 5 -3 -27 33.70 5.91 5 -3 -26 5.49 2.39 5 -3 -25 67.95 7.89 5 -3 -24 2.29 0.95 5 -3 -23 3.63 2.07 5 -3 -22 74.37 7.90 5 -3 -21 69.94 7.52 5 -3 -20 35.67 5.50 5 -3 -19 67.26 7.10 5 -3 -19 68.99 6.65 5 -3 -18 13.83 3.12 5 -3 -18 16.52 3.56 5 -3 -17 18.42 3.52 5 -3 -17 11.41 2.62 5 3 -17 14.67 2.37 5 -3 -16 90.78 7.82 5 -3 -16 104.21 7.85 5 3 -16 88.76 6.88 5 3 -15 287.23 11.23 5 -3 -15 309.27 14.38 5 -3 -15 288.53 12.96 5 3 -15 328.28 13.13 5 3 -14 68.01 5.08 5 -3 -14 70.40 6.70 5 3 -14 76.78 6.21 5 -3 -14 68.83 6.22 5 -3 -13 12.85 2.80 5 3 -13 9.72 1.83 5 -3 -13 7.18 2.45 5 3 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5 -3 -2 253.80 10.51 5 -3 -2 276.34 10.72 5 3 -2 263.96 9.07 5 -3 -1 887.29 19.24 5 3 -1 848.08 18.52 5 -3 -1 875.54 18.95 5 3 -1 873.73 17.17 5 3 0 603.60 14.53 5 3 0 601.14 15.60 5 -3 0 644.23 16.31 5 -3 0 611.47 16.13 5 -3 1 886.15 19.35 5 3 1 867.99 18.85 5 -3 1 874.98 18.78 5 3 1 894.46 18.15 5 3 2 267.81 10.55 5 -3 2 254.36 10.38 5 3 2 268.47 10.18 5 -3 2 248.58 9.88 5 -3 3 122.86 7.05 5 3 3 114.00 6.86 5 -3 3 119.06 6.98 5 3 3 110.90 6.62 5 3 4 163.41 8.21 5 -3 4 164.07 8.29 5 -3 4 160.13 7.99 5 3 5 326.89 11.52 5 -3 5 337.03 11.94 5 3 5 311.82 11.54 5 -3 6 331.02 11.72 5 3 6 324.35 12.14 5 3 6 326.02 11.54 5 3 7 88.83 6.09 5 -3 7 91.71 6.32 5 3 7 94.96 6.56 5 -3 8 9.82 1.97 5 3 8 11.44 2.28 5 3 8 10.19 2.23 5 3 9 27.92 3.96 5 3 9 33.75 3.74 5 -3 9 32.88 3.69 5 3 10 140.64 7.72 5 -3 10 148.26 8.15 5 3 10 121.11 7.94 5 3 11 85.66 6.10 5 -3 11 83.06 6.19 5 3 11 81.03 6.57 5 -3 12 45.48 4.59 5 3 12 39.43 4.16 5 3 12 39.85 4.71 5 3 13 15.63 2.67 5 3 13 14.73 3.21 5 -3 13 10.90 2.13 5 3 14 67.73 5.58 5 -3 14 59.94 5.37 5 3 14 70.33 6.50 5 3 15 315.08 12.26 5 3 15 294.55 13.68 5 -3 15 318.51 12.87 5 -3 16 102.97 7.35 5 3 16 96.28 6.76 5 3 16 82.86 7.35 5 3 17 14.63 2.81 5 3 17 11.62 2.97 5 -3 17 17.56 3.06 5 3 18 9.32 2.47 5 -3 18 19.88 3.23 5 3 19 76.39 7.49 5 3 20 42.54 5.64 5 3 21 69.27 7.39 5 3 22 67.70 7.72 5 3 23 2.88 2.12 5 3 24 5.62 1.72 5 3 25 66.21 8.14 5 -4 -28 2.73 2.47 5 -4 -27 2.80 2.27 5 -4 -26 0.47 2.24 5 -4 -25 7.12 3.06 5 -4 -24 15.17 3.76 5 -4 -23 8.72 2.63 5 -4 -22 7.12 2.82 5 -4 -21 19.60 4.26 5 -4 -20 34.18 5.16 5 -4 -20 31.39 5.04 5 -4 -19 6.27 2.24 5 -4 -19 1.12 0.74 -5 -4 -18 6.47 1.82 5 -4 -18 4.38 1.82 5 -4 -18 5.58 1.65 -5 -4 -17 122.46 9.34 5 -4 -17 134.90 9.74 5 -4 -16 39.95 5.17 -5 -4 -16 47.34 5.78 5 -4 -16 46.02 5.31 5 4 -16 40.39 5.32 5 -4 -15 24.45 4.19 5 4 -15 17.06 3.28 5 -4 -15 16.57 3.24 -5 -4 -15 19.70 3.75 5 4 -14 10.64 2.81 5 -4 -14 13.67 3.08 -5 -4 -14 7.34 2.44 5 -4 -14 12.14 3.61 5 -4 -13 58.63 5.98 -5 -4 -13 54.35 5.54 5 -4 -13 57.62 6.05 5 4 -13 56.97 5.61 5 4 -12 88.28 6.84 5 -4 -12 82.74 7.40 5 -4 -12 77.95 6.94 -5 -4 -12 89.92 7.35 -5 4 -11 20.88 2.84 5 -4 -11 23.89 3.82 5 -4 -11 26.09 4.08 5 4 -11 26.22 3.68 5 4 -10 7.97 2.28 -5 4 -10 7.55 1.74 5 -4 -10 11.29 2.71 5 -4 -10 6.48 2.19 5 4 -9 72.18 6.15 5 4 -9 68.42 4.04 -5 4 -9 83.82 5.69 5 -4 -9 74.95 6.38 5 -4 -9 74.05 6.44 -5 4 -8 10.46 2.04 5 4 -8 14.63 2.82 5 4 -8 14.53 1.98 5 -4 -8 17.12 3.10 5 4 -7 33.92 4.19 -5 4 -7 47.45 4.32 5 -4 -7 34.71 4.32 5 4 -7 47.80 3.75 5 -4 -7 29.69 3.99 5 -4 -6 129.82 8.10 5 4 -6 113.43 7.65 5 4 -6 134.94 6.49 5 -4 -6 124.12 8.09 5 4 -5 40.94 4.59 5 4 -5 44.46 1.90 5 -4 -5 44.89 4.70 5 4 -5 45.34 3.93 5 -4 -5 44.73 4.90 5 4 -4 57.77 5.28 5 -4 -4 61.45 5.64 5 -4 -4 48.44 5.02 5 4 -4 63.45 4.72 5 4 -3 5.02 0.87 5 4 -3 5.51 1.48 5 -4 -3 4.74 1.88 5 4 -3 5.77 1.47 5 -4 -3 7.54 2.12 5 4 -2 17.64 2.53 5 -4 -2 17.31 2.83 5 4 -2 20.27 3.10 5 -4 -2 16.73 2.79 5 -4 -1 3.43 1.91 5 4 -1 5.50 1.77 5 4 -1 2.60 1.18 5 -4 -1 4.41 1.51 5 4 0 74.60 5.51 5 4 0 76.88 6.05 5 -4 0 79.61 6.27 5 -4 0 57.46 5.08 5 -4 1 1.78 0.67 5 4 1 4.75 1.83 5 4 1 3.62 1.23 5 -4 1 6.68 1.95 5 4 2 19.70 2.98 5 4 2 20.32 3.17 5 -4 2 21.31 3.11 5 -4 2 15.60 2.86 5 4 3 3.82 1.82 5 4 3 4.95 1.65 5 -4 3 5.94 1.93 5 -4 3 4.07 1.77 5 4 4 59.28 5.25 5 -4 4 57.35 5.14 5 4 4 56.66 5.33 5 -4 4 54.05 4.79 5 4 5 38.48 4.35 5 4 5 42.73 4.67 5 -4 5 44.61 4.40 5 -4 5 47.14 4.78 5 4 6 120.45 7.90 5 -4 6 131.90 7.92 5 -4 6 136.95 7.97 5 4 6 142.66 8.35 5 4 7 47.17 5.03 5 -4 7 35.24 4.12 5 4 7 38.91 4.40 5 4 8 15.73 3.02 5 4 8 21.63 3.41 5 -4 8 14.85 2.61 5 4 9 78.94 6.62 5 -4 9 73.70 6.26 5 4 9 87.07 6.76 5 4 10 9.85 2.18 5 -4 10 8.15 2.23 5 4 10 7.65 2.49 5 4 11 23.33 3.45 5 -4 11 21.21 3.26 5 4 11 24.26 3.73 5 -4 12 79.66 6.39 5 4 12 89.83 7.00 5 4 12 81.68 7.17 5 4 13 58.30 5.79 5 4 13 44.83 5.42 5 -4 13 54.69 5.55 5 4 14 13.13 2.65 5 -4 14 12.37 2.77 5 4 14 6.16 1.71 5 4 15 30.26 4.51 5 -4 15 19.95 3.36 5 4 15 20.72 3.36 5 -4 16 41.67 4.99 5 4 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15.45 3.10 -5 5 -11 98.34 6.97 -5 -5 -11 89.75 7.35 5 -5 -11 105.05 8.22 5 -5 -11 106.66 8.47 5 5 -11 113.73 8.29 -5 5 -10 27.37 3.68 5 -5 -10 30.37 4.59 5 5 -10 28.98 4.24 5 -5 -10 16.23 3.32 -5 -5 -10 23.61 3.61 5 -5 -9 72.89 6.70 5 -5 -9 60.58 6.47 5 5 -9 61.87 6.09 -5 5 -9 65.12 5.73 5 5 -8 9.91 1.78 5 5 -8 15.14 2.87 5 -5 -8 18.94 3.75 -5 5 -8 15.14 2.77 5 -5 -8 14.03 2.92 5 5 -7 14.63 2.80 5 5 -7 13.62 2.33 5 -5 -7 17.73 3.40 -5 5 -7 15.71 2.91 5 -5 -7 16.59 3.09 5 -5 -6 187.75 10.67 5 5 -6 172.51 9.80 -5 5 -6 185.02 9.77 5 -5 -6 178.90 10.05 5 5 -6 180.86 8.44 5 -5 -5 103.58 7.52 5 5 -5 102.58 7.63 -5 5 -5 105.67 7.32 5 -5 -5 102.40 7.74 5 5 -5 103.32 6.54 5 -5 -4 4.95 1.78 5 5 -4 6.69 2.18 5 5 -4 3.30 1.45 5 -5 -4 4.90 2.00 -5 5 -4 5.88 2.16 5 5 -3 27.36 4.10 5 5 -3 26.30 3.30 -5 5 -3 17.58 3.13 5 -5 -3 21.38 3.42 5 -5 -3 23.66 3.92 5 -5 -2 18.58 3.31 5 5 -2 23.53 3.62 5 5 -2 26.17 3.62 5 -5 -2 21.94 3.55 5 5 -1 33.33 4.21 5 5 -1 41.77 4.42 5 -5 -1 40.36 4.46 5 -5 -1 34.01 4.58 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4 -2 73.16 5.50 6 -4 -2 59.46 5.80 6 4 -1 42.25 4.52 6 4 -1 52.45 4.77 6 -4 -1 53.89 5.23 6 -4 -1 48.75 5.21 6 4 0 85.58 6.56 6 -4 0 76.14 6.23 6 4 0 71.60 5.72 6 -4 0 71.42 6.34 6 -4 1 51.36 5.11 6 4 1 56.28 5.23 6 4 1 45.31 4.65 6 -4 1 53.94 5.18 6 -4 2 76.90 6.33 6 4 2 69.90 5.94 6 -4 2 74.31 6.14 6 4 2 72.13 5.77 6 -4 3 126.00 8.07 6 4 3 105.40 7.42 6 4 3 117.99 7.74 6 -4 3 109.38 7.37 6 4 4 -0.13 0.85 6 -4 4 0.79 0.81 6 -4 4 0.45 1.09 6 4 4 -0.16 0.66 6 -4 5 282.81 12.37 6 4 5 289.70 12.28 6 -4 5 300.99 12.48 6 4 5 284.82 12.18 6 -4 6 40.87 4.71 6 4 6 40.75 4.67 6 -4 6 47.35 4.95 6 4 6 46.33 4.90 6 -4 7 18.10 3.21 6 4 7 20.74 3.25 6 4 7 11.64 2.56 6 -4 8 265.74 12.10 6 4 8 281.98 12.22 6 4 8 289.27 12.86 6 4 9 52.34 5.33 6 -4 9 61.33 5.71 6 4 9 57.00 5.91 6 4 10 16.85 3.09 6 -4 10 14.43 2.80 6 4 10 16.80 3.42 6 4 11 79.05 6.67 6 -4 11 75.54 6.51 6 4 11 69.25 6.66 6 4 12 207.95 10.82 6 -4 12 213.64 11.20 6 4 12 203.13 11.32 6 4 13 44.33 5.17 6 -4 13 35.00 4.56 6 4 13 42.44 5.30 6 4 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6 -5 -11 4.58 2.47 6 5 -10 3.57 1.91 -6 5 -10 6.46 1.85 6 -5 -10 5.40 1.75 6 -5 -10 6.38 2.19 6 5 -9 17.46 3.32 -6 5 -9 16.77 3.03 6 -5 -9 18.47 3.49 6 -5 -9 10.49 2.08 6 5 -8 16.05 3.24 6 5 -8 18.44 2.69 -6 5 -8 14.99 2.82 6 -5 -8 15.87 3.22 6 -5 -8 14.48 3.09 6 5 -7 9.81 2.67 6 5 -7 9.36 1.88 -6 5 -7 9.61 2.64 6 -5 -7 8.23 2.25 6 -5 -7 6.67 2.13 6 -5 -6 5.22 1.92 6 5 -6 1.67 0.80 6 5 -6 2.96 1.21 -6 5 -6 8.97 2.29 6 -5 -6 6.45 2.29 6 5 -5 23.76 3.61 6 -5 -5 21.43 3.61 6 5 -5 17.17 2.81 6 -5 -5 28.42 4.25 6 5 -4 44.80 5.03 6 -5 -4 49.34 5.50 6 5 -4 43.50 4.49 6 -5 -4 39.93 4.94 6 -5 -3 45.28 5.29 6 5 -3 43.44 4.88 6 5 -3 38.41 4.42 6 -5 -3 50.09 5.41 6 5 -2 44.03 5.00 6 -5 -2 30.57 4.20 6 -5 -2 34.25 4.51 6 5 -2 35.12 4.20 6 5 -1 8.67 2.24 6 5 -1 9.77 2.30 6 -5 -1 15.44 3.18 6 -5 -1 10.15 2.33 6 -5 0 11.24 2.69 6 5 0 10.75 2.46 6 5 0 11.10 2.65 6 -5 0 11.81 2.80 6 -5 1 13.43 3.52 6 5 1 9.20 2.52 6 5 1 9.98 2.39 6 -5 1 16.08 3.08 6 5 2 35.52 4.46 6 -5 2 30.01 4.29 6 -5 2 34.36 4.41 6 5 2 33.08 4.15 6 5 3 52.92 5.34 6 5 3 48.48 5.07 6 -5 3 47.70 5.16 6 -5 3 36.16 4.69 6 5 4 50.28 5.41 6 -5 4 43.68 5.04 6 5 4 47.51 5.13 6 -5 4 36.47 4.65 6 5 5 22.23 3.99 6 -5 5 23.49 3.87 6 5 5 22.54 3.56 6 -5 5 23.12 3.54 6 -5 6 1.91 1.05 6 5 6 4.91 2.02 6 5 6 5.00 2.32 6 -5 6 7.33 2.19 6 -5 7 12.23 2.74 6 -5 7 10.72 2.76 6 5 7 9.28 2.42 6 5 7 13.48 2.99 6 5 8 13.92 3.12 6 -5 8 12.43 2.71 6 5 8 20.96 3.51 6 -5 8 15.58 2.93 6 -5 9 9.59 2.05 6 5 9 15.11 3.17 6 -5 9 14.62 3.07 6 5 10 4.53 2.19 6 -5 10 4.87 0.87 6 5 10 8.54 2.54 6 5 11 3.24 1.62 6 -5 11 1.01 0.74 6 5 11 3.10 1.73 6 5 12 8.02 2.30 6 5 12 4.07 2.09 6 -5 12 6.42 2.46 6 -5 13 35.17 4.85 6 5 13 44.95 5.34 6 5 13 30.80 4.93 6 5 14 9.77 2.73 6 -5 14 15.82 3.68 6 5 15 7.90 2.30 6 -5 15 11.11 3.00 6 5 15 5.89 2.75 6 5 16 5.84 1.89 6 -5 16 5.95 2.73 6 5 16 6.19 2.48 6 5 17 14.10 3.56 6 5 17 17.33 3.77 6 5 18 7.25 2.99 6 5 18 5.36 1.89 6 5 19 1.99 1.64 6 5 20 0.43 1.42 6 5 21 5.67 2.25 -6 5 22 7.68 2.08 6 5 22 4.30 1.16 -6 5 23 3.31 2.07 6 5 23 0.94 1.75 6 5 24 -1.22 1.93 6 5 25 11.10 3.81 6 5 26 9.03 3.61 6 -6 -25 11.35 4.01 6 -6 -24 13.51 4.37 6 -6 -23 1.10 1.26 6 -6 -22 45.74 6.65 6 -6 -21 13.33 3.52 6 -6 -21 14.88 4.21 6 -6 -20 0.34 0.99 6 -6 -20 2.62 2.18 6 -6 -19 9.06 2.78 6 -6 -19 9.04 3.46 6 -6 -18 79.20 8.38 6 -6 -18 88.45 8.67 6 -6 -17 10.21 3.33 6 -6 -17 9.11 3.53 6 6 -16 1.89 1.15 6 -6 -16 0.13 0.99 6 -6 -16 1.68 1.63 6 6 -15 4.56 2.04 6 -6 -15 5.48 1.95 6 -6 -15 6.22 1.82 6 6 -14 2.04 1.59 6 -6 -14 2.59 2.23 6 -6 -14 3.00 1.28 6 6 -13 4.46 1.71 6 -6 -13 9.72 2.49 6 -6 -13 7.34 2.48 6 6 -12 82.47 7.71 6 -6 -12 78.49 7.77 6 -6 -12 87.83 8.27 6 6 -11 20.06 3.94 6 -6 -11 16.56 3.32 6 -6 -11 19.10 3.71 6 -6 -10 2.43 1.96 6 6 -10 0.46 0.72 -6 6 -10 2.19 2.00 6 -6 -10 0.85 1.44 6 6 -9 19.13 3.73 6 -6 -9 18.39 4.00 -6 6 -9 15.78 3.12 6 -6 -9 20.64 4.23 6 6 -8 200.67 11.70 -6 6 -8 195.66 11.26 6 -6 -8 224.72 12.53 6 -6 -8 199.15 11.97 6 -6 -7 38.21 5.23 -6 6 -7 27.73 4.34 6 6 -7 30.42 4.06 6 -6 -7 33.44 4.90 6 6 -7 38.03 5.12 6 -6 -6 0.49 1.20 6 6 -6 1.32 1.15 -6 6 -6 -0.10 0.91 6 6 -6 0.84 1.07 6 -6 -6 -0.42 1.08 6 6 -5 35.95 4.62 6 -6 -5 29.89 4.28 6 6 -5 29.23 3.99 -6 6 -5 21.33 3.55 6 -6 -5 35.77 5.16 6 6 -4 109.12 8.48 6 -6 -4 86.76 7.54 -6 6 -4 93.94 7.79 6 -6 -4 100.40 8.32 6 6 -4 99.79 7.43 6 6 -3 1.81 1.05 -6 6 -3 1.16 1.46 6 6 -3 1.07 1.18 6 -6 -3 2.96 2.24 6 -6 -3 0.25 1.01 6 6 -2 180.51 10.98 6 -6 -2 190.10 11.33 -6 6 -2 182.53 10.75 6 -6 -2 168.41 10.28 6 6 -2 168.29 9.89 6 6 -1 33.09 4.34 6 6 -1 41.27 5.53 -6 6 -1 31.25 4.58 6 -6 -1 40.21 5.31 6 -6 -1 33.22 4.68 6 6 0 1.91 1.03 6 6 0 3.37 1.71 6 -6 0 0.51 1.58 6 -6 0 2.94 1.03 6 6 1 37.44 4.73 6 6 1 43.60 5.26 6 -6 1 31.20 4.41 6 -6 1 40.60 5.30 6 6 2 186.88 10.71 6 6 2 190.44 10.94 6 -6 2 161.07 9.95 6 -6 2 184.12 11.05 6 6 3 2.35 2.10 6 6 3 3.68 2.21 6 -6 3 1.91 0.96 6 -6 3 5.10 2.36 6 6 4 94.51 7.93 6 6 4 98.57 8.27 6 -6 4 106.50 8.21 6 -6 4 94.03 7.88 6 6 5 18.82 3.89 6 6 5 33.55 4.73 6 -6 5 23.64 4.02 6 -6 5 29.02 4.58 6 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6 6 24 25.20 4.93 6 6 25 4.38 1.20 6 -7 -23 6.57 3.49 6 -7 -22 -4.60 2.82 6 -7 -21 21.64 4.76 6 -7 -21 14.51 3.76 6 -7 -20 9.66 2.79 6 -7 -20 3.68 1.48 6 -7 -19 11.60 3.38 6 -7 -19 3.64 1.42 6 -7 -18 15.61 3.94 6 -7 -18 15.39 3.65 6 -7 -17 2.53 1.68 6 -7 -17 11.91 4.09 6 -7 -16 9.90 2.85 6 -7 -16 7.09 3.09 6 -7 -15 6.73 2.92 6 7 -15 6.92 2.29 6 -7 -15 5.65 2.18 6 -7 -14 1.89 1.90 6 7 -14 4.68 2.04 6 -7 -14 1.24 1.02 6 -7 -13 23.94 4.60 6 7 -13 18.09 3.91 6 -7 -13 21.43 4.34 6 7 -12 5.97 2.45 6 -7 -12 8.33 3.09 6 -7 -12 7.64 2.81 6 7 -11 0.75 1.22 6 -7 -11 0.04 1.63 6 7 -10 22.76 4.46 6 -7 -10 22.32 4.51 6 -7 -10 20.75 4.31 6 7 -9 5.24 2.08 -6 7 -9 6.98 3.09 6 -7 -9 -0.09 1.47 6 -7 -9 6.76 2.80 6 -7 -8 41.82 5.61 6 7 -8 31.71 4.94 -6 7 -8 28.18 4.38 6 -7 -8 44.12 6.15 6 7 -7 7.12 2.78 -6 7 -7 6.27 2.48 6 -7 -7 7.83 2.79 6 -7 -7 7.93 2.73 6 7 -6 2.36 2.11 6 7 -6 2.66 1.10 6 -7 -6 1.01 0.99 -6 7 -6 3.89 1.65 -6 7 -5 7.81 1.90 6 7 -5 9.72 2.77 6 7 -5 13.92 2.90 6 -7 -5 12.86 3.15 6 -7 -5 15.16 3.21 6 7 -4 55.82 6.54 -6 7 -4 50.20 6.20 6 -7 -4 45.06 5.85 6 -7 -4 43.95 5.82 6 7 -4 60.34 6.29 6 7 -3 21.74 3.62 6 7 -3 21.39 4.37 -6 7 -3 18.79 3.88 6 -7 -3 23.33 4.16 6 -7 -3 19.57 4.22 6 7 -2 68.26 6.66 6 7 -2 60.51 6.80 -6 7 -2 72.53 7.40 6 -7 -2 61.76 6.52 6 -7 -2 52.09 6.28 6 7 -1 8.87 2.29 -6 7 -1 13.44 3.22 6 7 -1 11.14 3.19 6 -7 -1 6.94 2.56 6 -7 -1 4.47 2.41 6 -7 0 2.28 1.23 6 7 0 2.43 1.45 6 7 0 1.06 1.61 -6 7 0 3.48 1.80 6 -7 0 2.99 1.96 6 -7 1 5.36 2.09 -6 7 1 6.13 1.92 6 -7 1 5.82 1.81 6 7 1 4.05 1.86 6 7 2 70.29 7.20 6 7 2 66.29 6.60 -6 7 2 68.36 7.29 6 -7 2 70.94 6.91 6 -7 2 58.90 6.76 6 -7 3 24.51 4.19 -6 7 3 16.56 3.56 6 7 3 17.65 3.88 6 7 3 26.00 4.20 6 -7 3 17.49 3.20 6 -7 4 55.71 6.17 6 7 4 57.47 6.39 6 7 4 52.55 6.24 -6 7 4 47.23 6.00 6 -7 4 53.33 6.31 6 -7 5 6.23 2.32 6 7 5 13.58 3.22 6 7 5 16.18 3.46 6 -7 5 15.89 3.49 -6 7 5 13.74 3.20 6 -7 6 5.39 1.93 6 7 6 6.56 3.21 -6 7 6 2.22 1.77 6 7 6 1.29 1.16 6 -7 6 0.74 1.32 6 -7 7 4.62 2.08 6 7 7 10.36 2.85 6 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-19 9.40 3.22 6 -8 -19 13.55 3.47 6 -8 -18 19.05 4.79 6 -8 -18 16.84 4.14 6 -8 -17 11.89 3.49 6 -8 -17 9.21 3.27 6 -8 -16 10.97 3.17 6 -8 -16 8.42 2.82 6 -8 -15 10.95 3.43 6 -8 -15 11.73 3.55 6 8 -14 19.04 4.37 6 -8 -14 12.82 3.33 6 -8 -14 22.63 4.46 6 -8 -13 26.38 4.89 6 8 -13 20.62 4.59 6 -8 -13 20.10 4.50 6 8 -12 27.41 4.92 6 -8 -12 18.99 4.07 6 -8 -12 29.03 4.73 6 -8 -11 15.58 4.15 6 8 -11 20.95 4.29 6 -8 -11 12.09 3.67 6 8 -10 6.13 2.62 6 -8 -10 8.56 2.49 6 8 -9 9.35 2.72 -6 8 -9 13.44 4.07 6 -8 -9 13.54 3.27 6 -8 -9 7.61 2.98 6 8 -8 49.51 6.43 -6 8 -8 67.34 7.43 6 -8 -8 48.53 6.39 6 -8 -8 54.09 6.65 6 8 -7 28.16 4.84 -6 8 -7 22.18 4.75 6 -8 -7 29.72 5.06 6 -8 -7 28.50 4.68 6 8 -6 5.85 2.31 -6 8 -6 9.35 2.43 6 -8 -6 4.80 1.73 6 -8 -6 5.43 2.04 6 -8 -5 20.82 4.20 6 8 -5 16.04 3.72 -6 8 -5 27.50 4.75 6 -8 -5 25.52 4.73 6 8 -4 24.21 4.12 6 8 -4 24.22 4.35 -6 8 -4 26.16 4.60 6 -8 -4 29.45 4.87 6 -8 -4 25.74 4.69 6 8 -3 2.94 1.99 6 8 -3 -0.24 1.04 6 -8 -3 -0.32 1.36 -6 8 -3 2.23 1.57 6 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6 32.51 4.31 7 4 6 31.30 4.09 7 -4 6 28.89 4.08 7 4 7 297.17 12.81 7 -4 7 295.69 13.16 7 4 7 295.95 12.97 7 -4 7 298.46 13.08 7 4 8 40.75 4.82 7 -4 8 35.76 4.48 7 4 8 34.61 4.58 7 4 9 2.65 1.76 7 -4 9 1.45 1.17 7 4 9 3.44 1.57 7 4 10 25.57 3.76 7 -4 10 18.69 3.32 7 4 10 15.79 3.11 7 4 11 116.56 8.34 7 -4 11 118.41 8.36 7 4 11 123.55 9.05 7 -4 12 18.53 3.71 7 4 12 10.72 2.85 7 4 12 15.97 3.13 7 4 13 68.26 6.39 7 -4 13 56.49 5.94 7 4 13 68.87 6.91 7 4 14 62.84 6.07 7 -4 14 55.80 6.15 7 4 14 52.45 6.26 7 4 15 28.46 4.23 7 -4 15 18.91 3.74 7 4 15 23.23 4.41 7 -4 16 11.30 2.79 7 4 16 3.88 1.32 7 4 16 8.36 2.98 7 4 17 3.39 1.14 7 4 17 5.14 1.90 7 -4 17 5.05 1.66 7 -4 18 39.68 5.60 7 4 18 37.40 5.44 7 4 19 85.73 8.12 7 4 20 0.53 2.01 7 4 21 4.51 2.91 7 4 22 8.82 2.68 7 4 23 -0.84 2.26 7 4 24 2.86 2.42 7 4 25 0.09 2.10 7 4 26 0.67 2.49 7 4 27 6.78 2.23 7 -5 -26 -0.46 1.77 7 -5 -25 0.98 2.35 7 -5 -24 40.73 6.08 7 -5 -23 3.12 2.02 7 -5 -22 28.23 5.02 7 -5 -21 1.88 1.18 7 -5 -20 1.28 1.52 7 -5 -20 2.27 1.30 7 -5 -19 16.04 4.04 7 -5 -19 17.81 4.24 7 -5 -18 77.58 7.93 7 -5 -18 99.37 9.30 7 5 -17 23.33 4.49 7 -5 -17 31.40 5.39 7 -5 -17 21.70 4.14 7 5 -16 5.37 2.38 7 -5 -16 2.07 1.52 7 -5 -16 2.78 1.77 7 5 -15 2.09 1.11 7 -5 -15 6.05 2.37 7 -5 -15 8.55 2.47 7 5 -14 8.48 2.78 7 -5 -14 6.94 2.05 7 -5 -14 8.10 2.53 7 5 -13 0.19 1.29 7 -5 -13 0.08 1.06 7 -5 -13 2.81 1.94 7 -5 -12 127.53 9.65 7 5 -12 112.91 8.88 7 -5 -11 18.62 4.07 7 -5 -11 19.59 4.08 7 5 -11 27.78 4.28 7 5 -10 3.23 1.52 -7 5 -10 7.65 1.80 7 -5 -10 2.29 1.38 7 -5 -10 6.67 2.28 7 5 -9 13.67 3.08 7 -5 -9 13.28 3.20 -7 5 -9 9.54 2.32 7 -5 -9 5.02 2.05 7 5 -8 136.67 9.33 -7 5 -8 131.80 8.53 7 -5 -8 140.97 9.80 7 -5 -8 138.24 9.78 7 5 -7 34.21 4.64 7 -5 -7 31.11 4.55 7 5 -7 32.95 3.86 7 -5 -7 34.28 4.74 7 -5 -6 9.82 2.71 7 5 -6 9.63 2.62 7 5 -6 10.02 2.15 7 -5 -6 9.34 3.02 7 -5 -5 17.39 3.31 7 5 -5 17.14 3.52 7 5 -5 17.34 2.72 7 -5 -5 14.23 3.17 7 5 -4 29.31 4.36 7 5 -4 28.08 3.77 7 -5 -4 28.36 4.33 7 -5 -4 29.42 4.41 7 5 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8.37 2.35 7 -6 -12 5.73 2.81 7 -6 -12 2.36 2.30 7 -6 -11 17.45 3.79 7 6 -11 17.75 3.90 7 -6 -11 15.65 3.87 7 6 -10 6.34 2.03 -7 6 -10 0.48 0.67 7 -6 -10 3.36 1.84 7 -6 -10 5.62 1.72 7 6 -9 0.27 1.05 -7 6 -9 1.43 1.28 7 -6 -9 1.30 1.34 7 -6 -9 3.12 1.89 7 6 -8 0.89 1.41 -7 6 -8 2.34 1.65 7 -6 -8 1.53 0.82 7 -6 -8 -0.69 1.08 7 6 -7 3.33 1.19 -7 6 -7 4.65 1.82 7 -6 -7 7.07 2.10 7 -6 -7 2.39 1.04 7 -6 -6 1.76 1.77 7 6 -6 1.13 1.02 7 6 -6 1.74 1.45 -7 6 -6 1.14 1.89 7 -6 -6 0.23 1.49 7 -6 -5 18.26 3.50 7 6 -5 13.07 3.05 7 6 -5 14.05 2.72 7 -6 -5 22.31 4.16 -7 6 -5 19.24 3.58 7 -6 -4 7.67 2.75 7 6 -4 6.98 2.12 -7 6 -4 13.90 3.07 7 -6 -4 6.98 2.26 7 6 -4 6.66 1.98 7 -6 -3 2.63 0.80 7 6 -3 3.11 1.84 7 -6 -3 -0.23 1.03 7 6 -3 -0.54 1.32 7 -6 -2 8.34 2.76 7 6 -2 12.13 3.12 7 -6 -2 11.80 3.14 7 6 -2 9.17 2.63 7 -6 -1 13.77 3.36 7 6 -1 11.05 2.48 7 -6 -1 13.81 3.16 7 6 -1 8.56 2.37 7 -6 0 -0.37 1.00 7 -6 0 1.81 1.21 7 6 0 1.05 1.12 7 6 0 2.79 1.27 7 6 1 13.37 3.05 7 -6 1 9.15 2.83 7 6 1 8.95 3.26 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130.27 10.26 7 7 -7 0.64 1.17 7 -7 -7 5.05 2.17 -7 7 -7 4.40 1.31 7 -7 -7 5.28 2.69 7 7 -6 24.28 4.38 -7 7 -6 18.51 4.00 7 -7 -6 22.55 4.37 7 -7 -6 21.61 4.36 7 -7 -5 7.53 3.12 -7 7 -5 13.45 3.45 7 7 -5 6.80 2.27 7 -7 -5 8.51 2.84 7 7 -4 49.85 5.66 7 7 -4 36.54 5.25 -7 7 -4 38.45 5.56 7 -7 -4 48.34 6.00 7 -7 -4 50.78 6.30 7 7 -3 0.37 0.87 -7 7 -3 -0.86 1.49 7 -7 -3 -1.59 1.56 7 7 -3 0.70 1.18 7 -7 -3 2.15 1.90 7 -7 -2 69.83 7.31 7 7 -2 75.73 7.56 -7 7 -2 72.59 7.57 7 -7 -2 67.37 7.34 7 7 -2 75.36 7.27 7 -7 -1 13.24 3.10 7 7 -1 10.83 3.07 7 7 -1 12.94 3.27 -7 7 -1 5.85 1.82 7 -7 -1 8.19 2.99 7 -7 0 2.62 2.02 7 7 0 3.45 1.74 7 7 0 -2.56 2.22 -7 7 0 -0.11 1.96 7 -7 0 -0.80 1.03 7 -7 1 6.80 2.02 7 7 1 11.18 3.21 7 7 1 5.56 2.21 -7 7 1 12.80 2.99 7 -7 1 4.84 2.92 7 7 2 54.80 6.49 -7 7 2 76.96 7.47 7 -7 2 71.95 7.38 7 -7 2 54.25 6.70 7 7 2 67.84 7.00 7 -7 3 0.83 1.96 7 7 3 2.04 2.01 7 7 3 0.87 1.42 -7 7 3 0.26 1.67 7 -7 3 1.98 2.28 7 7 4 46.50 5.75 7 -7 4 50.07 6.38 7 -7 4 46.81 5.90 -7 7 4 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3.52 8 3 -5 5.52 1.74 8 -3 -5 3.88 1.21 8 3 -5 5.13 1.54 8 -3 -5 6.83 2.69 8 3 -5 5.49 1.66 8 3 -4 -0.19 1.12 8 -3 -4 0.14 0.48 8 3 -4 1.11 0.66 8 -3 -4 -0.50 0.85 8 3 -4 1.14 0.94 8 -3 -3 25.51 3.75 8 3 -3 23.70 3.19 8 -3 -3 28.36 4.05 8 3 -3 25.51 3.13 8 3 -3 26.54 3.63 8 -3 -2 22.76 3.78 8 3 -2 26.63 3.36 8 -3 -2 29.26 4.18 8 3 -2 27.47 3.29 8 3 -2 29.28 4.03 8 3 -1 12.34 2.90 8 -3 -1 13.24 2.80 8 3 -1 11.01 2.38 8 -3 -1 11.90 2.76 8 3 0 5.31 1.74 8 -3 0 7.29 2.09 8 -3 0 5.42 1.79 8 3 0 8.70 2.10 8 3 1 13.15 2.81 8 -3 1 16.09 2.97 8 -3 1 12.13 2.68 8 3 1 11.75 2.42 8 3 2 29.45 3.89 8 -3 2 22.13 3.40 8 3 2 22.47 3.42 8 -3 2 30.72 4.27 8 3 3 22.25 3.40 8 -3 3 27.60 3.90 8 3 3 17.50 2.96 8 -3 3 23.72 3.62 8 3 4 0.32 0.52 8 -3 4 0.16 0.53 8 -3 4 -0.07 0.88 8 3 4 1.08 1.58 8 3 5 3.60 1.17 8 3 5 3.42 1.83 8 -3 5 5.64 1.91 8 -3 5 4.24 1.57 8 3 6 18.75 3.15 8 -3 6 19.18 3.18 8 3 6 19.57 3.50 8 3 7 45.92 4.88 8 -3 7 42.85 5.10 8 3 7 46.81 5.10 8 3 8 29.31 3.85 8 -3 8 25.30 3.74 8 3 8 23.53 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-3 -4 117.60 9.62 13 3 -4 134.47 9.67 13 -3 -4 131.82 10.38 13 3 -4 130.10 9.88 13 3 -4 145.19 10.48 13 3 -3 15.76 3.25 13 3 -3 14.61 3.36 13 -3 -3 22.72 4.50 13 -3 -3 16.32 4.20 13 3 -3 16.57 3.52 13 3 -2 3.13 2.38 13 3 -2 2.83 1.99 13 -3 -2 -0.41 1.34 13 -3 -2 1.27 1.17 13 3 -2 3.54 1.50 13 3 -1 11.66 3.36 13 3 -1 11.41 3.07 13 -3 -1 9.20 2.70 13 -3 -1 9.72 3.10 13 3 -1 9.08 2.47 13 -3 0 48.59 6.17 13 -3 0 51.50 6.91 13 3 0 43.00 5.80 13 3 0 41.86 5.34 13 3 0 49.47 6.05 13 3 1 13.27 3.55 13 3 1 11.26 2.83 13 -3 1 10.17 3.01 13 -3 1 6.27 2.00 13 3 1 8.57 2.29 13 3 2 0.48 1.50 13 3 2 1.68 1.79 13 -3 2 2.36 1.57 13 -3 2 2.14 1.43 13 3 3 9.86 2.87 13 3 3 12.63 3.16 13 -3 3 15.64 3.29 13 -3 3 14.68 3.13 13 -3 4 130.44 10.28 13 -3 4 138.03 10.79 13 3 4 147.69 10.57 13 3 4 122.33 9.46 13 3 5 3.68 1.78 13 3 5 6.91 2.18 13 -3 5 8.85 3.14 13 -3 5 4.11 3.10 13 -3 6 36.53 5.26 13 -3 6 40.42 6.01 13 3 6 33.87 5.21 13 3 6 33.70 4.83 13 3 7 18.87 4.14 13 3 7 12.33 3.50 13 -3 7 17.79 3.81 13 -3 7 16.66 3.72 13 -3 8 30.09 4.70 13 -3 8 26.01 4.41 13 3 8 28.74 4.85 13 3 8 29.07 5.03 13 3 9 17.09 3.39 13 -3 9 17.74 3.71 13 3 9 27.68 4.86 13 -3 10 166.41 11.58 13 3 10 168.01 11.43 13 3 10 161.04 11.51 13 3 11 2.67 1.78 13 3 11 0.43 0.85 13 -3 11 0.54 2.02 13 -3 12 75.40 8.25 13 3 12 79.44 7.79 13 3 12 81.85 8.30 13 3 13 10.07 2.57 13 3 13 18.14 4.30 13 -3 13 18.85 4.06 13 -3 14 58.73 7.28 13 3 14 64.60 7.38 13 3 15 13.26 3.91 13 -3 15 8.33 2.93 13 -3 16 128.44 10.83 13 3 16 106.24 10.10 13 3 17 6.79 2.76 13 -3 17 2.87 1.17 13 3 18 6.10 3.10 13 -3 18 4.56 3.16 13 3 19 6.89 2.77 13 -3 19 2.69 2.09 13 3 20 6.27 2.63 13 -3 20 10.01 3.53 13 3 21 2.21 1.48 13 -3 21 8.29 3.08 13 3 22 20.36 4.17 13 3 23 1.52 1.87 13 -4 -21 1.03 1.08 13 -4 -20 1.81 1.71 13 4 -20 7.93 3.75 13 -4 -19 6.86 2.99 13 4 -19 5.87 2.77 13 -4 -18 1.90 2.02 13 4 -18 -3.99 2.45 13 -4 -17 7.36 2.36 13 4 -17 4.76 2.62 13 -4 -16 3.17 2.01 13 4 -16 2.54 0.94 13 -4 -15 4.84 2.08 13 4 -15 6.50 1.64 13 -4 -14 1.28 1.15 13 -4 -14 0.28 1.42 13 4 -14 3.00 1.79 13 -4 -13 0.02 1.08 13 -4 -13 0.87 2.12 13 4 -13 -1.15 1.62 13 -4 -12 5.22 2.11 13 -4 -12 -0.15 1.43 13 4 -12 6.56 2.36 13 -4 -11 -0.40 1.31 13 -4 -11 -0.79 1.27 13 4 -11 -2.36 2.21 13 4 -10 1.93 1.63 13 -4 -10 3.52 0.95 13 -4 -10 2.85 1.57 13 -4 -9 86.59 8.96 13 4 -9 88.70 8.50 13 -4 -9 77.27 8.20 13 4 -8 1.30 1.13 13 -4 -8 0.08 1.35 13 -4 -8 0.56 1.26 13 4 -7 5.34 2.19 13 -4 -7 7.67 2.35 13 -4 -7 5.07 2.56 13 -4 -6 47.14 6.48 13 4 -6 51.86 6.33 13 4 -6 55.01 6.71 13 -4 -6 60.12 6.93 13 4 -5 1.00 1.00 13 4 -5 1.79 1.07 13 -4 -5 2.52 2.17 13 4 -4 14.66 3.75 13 4 -4 11.88 3.08 13 -4 -4 17.10 3.65 13 -4 -4 17.36 4.46 13 4 -3 0.83 1.27 13 4 -3 3.10 2.03 13 -4 -3 3.13 2.49 13 -4 -3 0.28 1.40 13 -4 -2 71.59 7.62 13 -4 -2 79.49 8.37 13 4 -2 70.37 7.20 13 4 -2 65.29 7.41 13 -4 -1 36.94 5.37 13 -4 -1 28.60 4.98 13 4 -1 41.43 5.35 13 4 -1 41.73 5.71 13 4 0 1.28 1.71 13 -4 0 0.60 0.85 13 4 0 0.38 1.20 13 -4 0 -0.46 1.46 13 4 0 0.64 1.11 13 -4 1 47.51 6.27 13 -4 1 43.54 6.31 13 4 1 38.97 5.52 13 4 1 37.74 5.48 13 -4 2 80.27 8.11 13 -4 2 72.07 8.09 13 4 2 71.15 7.38 13 4 2 78.64 7.78 13 4 3 2.19 1.53 13 -4 3 3.77 1.72 13 4 3 1.95 1.83 13 -4 3 1.67 2.10 13 4 4 10.65 3.18 13 -4 4 12.17 3.38 13 4 4 13.37 3.51 13 -4 4 12.05 3.58 13 4 5 0.81 1.19 13 -4 5 3.96 2.62 13 4 5 1.87 1.07 13 -4 5 3.10 1.40 13 4 6 52.14 6.42 13 -4 6 50.89 6.63 13 -4 6 40.49 6.16 13 4 6 42.74 5.88 13 4 7 5.26 1.92 13 -4 7 6.89 2.35 13 4 7 4.27 1.90 13 -4 7 11.06 3.44 13 4 8 0.63 1.77 13 -4 8 0.18 1.46 13 4 8 0.04 0.84 13 -4 8 -0.38 1.79 13 4 9 82.12 8.24 13 -4 9 81.20 8.39 13 -4 9 67.84 7.87 13 4 9 87.98 8.59 13 4 10 3.53 2.62 13 -4 10 3.99 1.73 13 4 10 2.31 1.02 13 -4 10 0.86 1.78 13 4 11 -1.49 1.60 13 -4 11 2.15 2.20 13 4 11 0.76 0.97 13 -4 11 0.37 1.72 13 4 12 4.25 2.28 13 -4 12 1.75 2.10 13 4 12 2.76 1.93 13 4 13 1.93 1.35 13 -4 13 -0.77 1.90 13 4 13 1.06 1.21 13 -4 14 4.54 2.63 13 4 14 1.59 1.75 13 -4 15 17.89 4.26 13 4 15 6.15 2.73 13 -4 16 2.34 2.08 13 4 16 2.76 2.24 13 -4 17 5.09 2.47 13 4 17 13.25 3.93 13 -4 18 1.90 2.45 13 4 18 1.21 1.29 13 4 19 6.33 2.60 13 -4 19 5.52 2.61 13 4 20 3.63 2.69 13 -4 20 2.94 3.60 13 4 21 8.56 3.05 13 -5 -20 7.13 2.69 13 -5 -19 5.05 2.51 13 5 -19 1.64 1.91 13 -5 -18 2.52 2.05 13 5 -18 1.35 2.13 13 -5 -17 15.07 4.13 13 -5 -17 13.58 4.40 13 5 -17 8.03 3.46 13 -5 -16 9.45 3.21 13 -5 -16 8.44 3.09 13 5 -16 17.42 4.03 13 -5 -15 6.67 3.54 13 -5 -15 7.27 2.95 13 5 -15 6.94 2.39 13 -5 -14 11.99 3.70 13 -5 -14 17.94 4.51 13 5 -14 8.55 3.45 13 5 -13 5.27 2.70 13 -5 -13 3.56 1.58 13 -5 -13 8.20 3.07 13 5 -12 10.38 3.38 13 -5 -12 12.00 3.13 13 -5 -12 9.51 3.33 13 -5 -11 38.93 6.01 13 -5 -11 32.89 5.57 13 5 -11 34.20 5.28 13 5 -10 14.25 3.72 13 -5 -10 10.95 3.20 13 -5 -10 17.13 4.08 13 5 -9 3.19 2.41 13 -5 -9 1.93 1.33 13 -5 -9 1.69 1.55 13 5 -8 7.97 2.73 13 -5 -8 1.07 1.64 13 -5 -8 4.63 2.80 13 5 -7 22.38 4.42 13 -5 -7 17.21 3.89 13 -5 -7 28.58 5.61 13 -5 -6 53.93 6.72 13 5 -6 49.20 6.40 13 -5 -6 48.13 6.66 13 5 -5 13.32 3.77 13 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2.63 1.60 13 5 9 1.16 2.76 13 -5 9 0.46 1.43 13 5 9 5.11 1.98 13 -5 9 2.50 1.96 13 5 10 13.56 3.37 13 -5 10 15.16 3.40 13 5 10 10.48 3.32 13 -5 10 21.50 4.90 13 5 11 32.36 5.29 13 -5 11 34.04 5.82 13 -5 11 30.46 5.51 13 5 11 38.85 5.89 13 5 12 14.44 3.83 13 -5 12 8.41 3.26 13 5 12 9.91 3.19 13 -5 12 9.54 3.67 13 5 13 6.89 3.12 13 -5 13 3.73 1.73 13 5 13 7.39 2.45 13 -5 13 -0.12 1.54 13 5 14 18.63 4.13 13 -5 14 14.24 3.92 13 5 14 8.11 2.66 13 -5 14 19.68 4.97 13 -5 15 2.34 1.46 13 5 15 4.27 2.73 13 -5 15 2.48 2.23 13 -5 16 9.69 3.07 13 5 16 9.15 2.48 13 -5 17 9.47 3.14 13 5 17 13.44 3.17 13 -5 18 1.59 1.16 13 5 18 3.34 2.30 13 -5 19 5.49 3.17 13 5 19 3.39 2.32 13 5 20 8.91 3.14 13 -6 -18 1.50 1.79 13 -6 -18 1.82 2.57 13 6 -18 -0.77 1.27 13 -6 -17 -0.81 1.30 13 -6 -17 -1.04 1.75 13 6 -17 -0.26 1.80 13 -6 -16 0.78 2.03 13 -6 -16 -0.68 1.71 13 6 -16 1.16 2.38 13 6 -15 0.62 0.94 13 -6 -15 3.08 2.46 13 -6 -15 3.93 2.30 13 6 -14 0.84 1.69 13 -6 -14 4.05 2.61 13 -6 -14 4.25 1.95 13 6 -13 6.21 3.32 13 -6 -13 1.03 1.84 13 -6 -13 7.71 4.12 13 -6 -12 1.06 1.76 13 6 -12 0.77 1.85 13 -6 -12 0.15 1.72 13 -6 -11 0.08 1.37 13 6 -11 4.44 2.06 13 -6 -11 6.99 3.04 13 6 -10 3.33 1.20 13 -6 -10 0.87 1.68 13 -6 -10 1.87 1.32 13 -6 -9 0.78 1.62 13 -6 -9 0.30 1.67 13 6 -8 1.73 1.83 13 -6 -8 0.65 1.41 13 -6 -8 2.92 1.97 13 6 -7 4.00 2.62 13 -6 -7 2.70 2.73 13 -6 -7 0.74 1.67 13 6 -6 1.35 0.99 13 -6 -6 1.90 1.66 13 -6 -6 1.67 1.65 13 6 -5 1.80 1.53 13 -6 -5 1.19 1.40 13 -6 -5 2.34 2.39 13 6 -4 -0.50 1.10 13 -6 -4 -0.94 0.87 13 -6 -4 0.55 1.13 13 6 -3 4.77 2.37 13 -6 -3 2.84 1.51 13 6 -3 4.20 2.26 13 -6 -3 7.30 2.71 13 6 -2 7.19 1.82 13 -6 -2 5.37 2.41 13 6 -2 6.31 2.22 13 -6 -2 3.12 2.33 13 6 -1 3.66 2.20 13 -6 -1 7.78 3.38 13 6 -1 4.61 2.22 13 -6 -1 3.89 2.25 13 6 0 1.68 1.59 13 -6 0 0.60 0.90 13 6 0 0.86 1.34 13 -6 0 1.18 2.08 13 6 1 4.05 2.12 13 -6 1 3.42 1.84 13 6 1 4.30 2.08 13 -6 1 4.75 2.41 13 6 2 4.75 3.14 13 -6 2 5.17 2.38 13 6 2 3.12 1.52 13 -6 2 4.05 1.10 13 6 3 8.24 3.07 13 -6 3 8.37 3.17 13 6 3 5.92 2.88 13 -6 3 6.20 1.15 13 6 4 -2.20 1.60 13 -6 4 1.07 2.24 13 6 4 1.57 1.14 13 -6 4 -2.17 2.04 13 6 5 -0.65 0.99 13 -6 5 2.03 2.16 13 6 5 0.48 0.96 13 -6 5 0.49 1.72 13 6 6 0.44 1.59 13 -6 6 0.26 2.17 13 6 6 0.56 0.89 13 -6 6 2.06 2.54 13 6 7 3.33 1.55 13 -6 7 0.67 1.30 13 6 7 2.02 1.23 13 -6 7 0.94 1.46 13 6 8 3.02 1.77 13 -6 8 2.56 2.01 13 6 8 0.60 1.08 13 -6 8 -0.03 1.26 13 6 9 5.47 3.21 13 -6 9 0.60 2.75 13 6 9 0.78 2.14 13 -6 9 5.42 2.49 13 6 10 4.51 2.81 13 -6 10 -0.51 1.81 13 6 10 2.93 2.35 13 -6 10 3.46 2.45 13 6 11 8.38 3.57 13 -6 11 3.69 2.58 13 6 11 3.14 1.69 13 -6 11 2.49 2.18 13 6 12 0.61 1.61 13 -6 12 2.89 2.42 13 6 12 0.07 1.83 13 -6 12 0.10 2.68 13 6 13 1.71 1.85 13 -6 13 4.46 2.15 13 6 13 5.53 2.57 13 -6 13 2.24 1.75 13 6 14 5.20 3.00 13 -6 14 1.07 1.57 13 6 14 1.24 2.73 13 -6 14 1.37 2.32 13 -6 15 2.20 1.53 13 6 15 0.52 1.03 13 -6 15 1.76 2.15 13 -6 16 0.90 2.11 13 6 16 2.20 0.99 13 -6 16 -0.30 2.64 13 -6 17 1.90 2.21 13 6 17 0.83 1.41 13 -6 17 4.19 3.01 13 6 18 0.90 1.51 13 -6 18 1.20 2.52 13 7 -15 5.62 2.71 13 -7 -15 5.72 3.33 13 -7 -15 5.51 2.59 13 7 -14 0.78 1.31 13 -7 -14 14.51 4.01 13 -7 -14 11.77 4.11 13 7 -13 -2.96 2.07 13 -7 -13 1.96 1.55 13 -7 -13 4.61 2.69 13 7 -12 0.22 2.30 13 -7 -12 2.05 1.58 13 -7 -12 2.08 1.59 13 7 -11 3.52 1.51 13 -7 -11 4.96 3.01 13 -7 -11 4.82 2.35 13 7 -10 25.40 5.06 13 -7 -10 36.82 6.14 13 -7 -10 36.65 5.94 13 -7 -9 5.66 3.08 13 7 -9 8.28 3.73 13 -7 -9 5.16 2.68 13 -7 -8 10.03 3.31 13 7 -8 5.03 2.34 13 -7 -8 9.05 3.71 13 -7 -7 3.05 2.13 13 7 -7 1.58 2.14 13 -7 -7 1.41 2.79 13 -7 -6 22.61 4.89 13 -7 -6 26.65 5.21 13 7 -6 33.20 5.50 13 -7 -5 0.47 1.42 13 7 -5 3.09 1.51 13 -7 -5 4.45 2.47 13 -7 -4 12.72 2.91 13 7 -4 18.62 3.79 13 -7 -4 12.00 2.86 13 7 -3 9.66 2.55 13 -7 -3 7.66 2.43 13 -7 -3 5.03 2.72 13 7 -2 7.60 3.13 13 -7 -2 8.44 2.90 13 -7 -2 12.02 2.85 13 7 -1 2.97 2.36 13 -7 -1 3.71 1.95 13 7 -1 7.12 2.70 13 -7 -1 11.36 3.93 13 7 0 4.69 1.66 13 7 0 5.57 1.86 13 -7 0 3.12 1.16 13 7 1 6.31 2.08 13 -7 1 7.98 2.42 13 7 1 5.09 2.41 13 -7 1 6.47 2.51 13 7 2 8.34 2.79 13 -7 2 10.42 3.75 13 -7 2 18.67 4.41 13 7 2 9.23 3.07 13 7 3 12.68 3.34 13 -7 3 9.91 3.36 13 -7 3 4.52 2.12 13 7 3 10.00 3.33 13 7 4 13.28 3.94 13 -7 4 21.97 4.80 13 -7 4 17.76 4.21 13 7 4 9.52 3.12 13 7 5 2.96 2.07 13 -7 5 -0.17 1.40 13 -7 5 1.97 1.92 13 7 5 1.73 1.16 13 7 6 38.36 6.05 13 -7 6 33.75 5.95 13 -7 6 21.43 4.75 13 7 6 22.97 4.36 13 7 7 4.12 2.10 13 -7 7 6.10 2.40 13 -7 7 3.77 2.38 13 7 7 2.55 1.66 13 7 8 8.96 2.89 13 -7 8 9.19 3.13 13 -7 8 7.11 2.96 13 7 8 4.01 1.77 13 7 9 4.42 2.49 13 -7 9 1.67 1.58 13 -7 9 3.45 1.90 13 7 9 0.01 1.62 13 7 10 35.12 5.93 13 -7 10 23.39 4.71 13 7 10 24.29 5.00 13 -7 10 32.52 5.89 13 7 11 7.42 3.45 13 -7 11 7.02 2.72 13 -7 11 1.73 2.61 13 7 11 3.59 1.34 13 7 12 6.30 2.88 13 -7 12 3.23 1.24 13 -7 12 2.27 1.75 13 7 12 5.23 1.90 13 7 13 1.42 1.67 13 -7 13 3.45 3.68 13 -7 13 3.72 2.64 13 7 13 3.12 1.02 13 7 14 4.68 3.87 13 -7 14 8.23 3.19 13 -7 14 8.26 2.86 13 7 14 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2.68 19 -4 -1 0.22 1.41 19 -4 -1 1.81 2.45 19 4 -1 -0.32 2.70 19 4 -1 -0.86 1.17 19 -4 0 4.67 3.15 19 -4 0 2.12 2.40 19 4 0 5.11 3.35 19 4 0 0.20 1.85 19 -4 1 0.43 1.48 19 -4 1 1.37 1.18 19 4 1 2.99 2.17 19 4 1 2.65 2.30 19 -4 2 -0.72 1.90 19 -4 2 2.44 2.46 19 4 2 2.07 1.28 19 4 2 3.42 2.50 19 -4 3 7.02 2.47 19 -4 3 3.78 1.50 19 4 3 3.41 1.54 19 4 4 5.55 2.06 19 -4 4 7.78 3.55 19 -4 4 5.29 3.78 19 4 4 5.64 3.33 19 4 5 -0.57 1.75 19 -4 5 1.90 1.78 19 -4 5 -0.40 1.43 19 4 5 2.34 1.91 19 4 6 1.93 2.81 19 -4 6 -1.38 2.69 19 -4 6 2.03 2.35 19 4 6 1.09 2.34 20 0 -8 56.18 8.66 20 0 -7 -0.30 2.61 20 0 -6 1.32 1.94 20 0 -6 1.01 2.48 20 0 -5 36.41 6.52 20 0 -5 29.03 5.79 20 0 -4 79.32 9.45 20 0 -4 89.05 10.35 20 0 -3 2.42 3.10 20 0 -3 1.18 2.02 20 0 -2 112.58 11.17 20 0 -2 121.61 11.97 20 0 -1 5.62 2.91 20 0 -1 5.97 3.10 20 0 0 2.01 2.00 20 0 0 0.70 2.30 20 0 1 6.85 3.28 20 0 1 1.59 2.54 20 0 2 115.96 10.97 20 0 2 104.79 10.62 20 0 3 2.96 3.18 20 0 3 -0.99 1.43 20 0 4 103.00 10.53 20 0 4 99.70 10.53 20 0 5 21.12 4.66 20 0 5 23.76 5.38 20 0 6 -0.04 2.16 20 0 6 -2.62 2.65 20 0 7 -2.44 2.62 20 0 7 1.04 1.31 20 0 8 73.69 8.70 20 0 8 84.62 9.75 20 -1 -7 0.15 1.52 20 -1 -7 -0.01 1.79 20 -1 -6 0.45 1.98 20 -1 -6 -1.43 2.49 20 1 -6 5.81 3.91 20 -1 -5 0.64 1.51 20 1 -5 7.46 3.30 20 -1 -5 1.07 2.23 20 1 -5 5.10 3.41 20 -1 -4 -1.07 2.05 20 1 -4 0.42 1.59 20 -1 -4 -1.19 2.23 20 1 -4 -0.11 1.57 20 -1 -3 10.75 3.34 20 1 -3 7.05 2.75 20 -1 -3 7.73 3.50 20 1 -3 4.57 1.66 20 -1 -2 0.98 1.52 20 1 -2 2.69 2.06 20 -1 -2 6.98 3.11 20 1 -2 2.50 3.01 20 -1 -1 7.06 3.15 20 1 -1 4.78 2.33 20 -1 -1 1.58 2.60 20 1 -1 7.33 3.58 20 -1 0 -0.95 1.92 20 1 0 0.39 2.05 20 -1 0 -1.60 2.55 20 1 0 0.12 1.37 20 -1 1 2.45 1.05 20 1 1 1.87 1.05 20 -1 1 -0.64 2.14 20 1 1 -1.19 1.34 20 -1 2 1.73 1.42 20 1 2 3.70 2.21 20 -1 2 1.22 1.54 20 1 2 4.00 3.14 20 -1 3 10.38 3.53 20 1 3 9.24 3.65 20 -1 3 16.07 4.40 20 1 3 8.65 3.11 20 -1 4 0.56 2.05 20 1 4 -0.55 1.83 20 -1 4 -0.36 1.42 20 1 4 -0.41 2.35 20 -1 5 4.54 3.02 20 1 5 5.72 2.68 20 -1 5 3.33 2.85 20 1 5 0.87 1.55 20 -1 6 0.59 2.19 20 1 6 -0.72 1.94 20 -1 6 1.35 1.96 20 1 6 -1.28 1.58 20 -1 7 -1.22 1.20 20 1 7 1.07 2.10 20 -1 7 -0.16 1.18 20 1 7 2.23 3.08 20 -2 -6 6.57 3.30 20 -2 -6 6.92 3.38 20 -2 -5 -1.50 1.57 20 -2 -5 -1.24 2.57 20 -2 -4 13.99 3.97 20 -2 -4 8.90 3.94 20 2 -3 1.35 1.53 20 -2 -3 -1.23 1.35 20 -2 -2 32.63 6.08 20 2 -2 33.30 6.36 20 -2 -2 45.03 7.84 20 2 -2 44.58 6.98 20 -2 -1 6.46 3.34 20 2 -1 1.90 1.49 20 -2 -1 4.08 2.05 20 2 -1 4.61 3.08 20 2 -1 2.81 2.99 20 -2 0 0.96 1.32 20 2 0 -1.95 2.41 20 -2 0 -0.05 2.39 20 2 0 -2.02 2.70 20 2 0 0.29 2.75 20 -2 1 2.69 2.26 20 2 1 1.94 2.21 20 -2 1 0.23 1.19 20 2 1 -0.97 2.18 20 2 1 2.64 3.16 20 -2 2 39.52 6.91 20 2 2 33.53 6.17 20 -2 2 49.79 7.76 20 2 2 39.14 7.34 20 2 2 34.60 6.14 20 -2 3 -0.90 2.45 20 -2 3 1.13 2.25 20 2 3 3.25 2.30 20 2 3 -0.54 2.21 20 2 3 -0.14 2.00 20 -2 4 13.11 3.62 20 -2 4 7.13 2.92 20 2 4 14.00 4.44 20 2 4 8.34 3.13 20 2 4 5.64 3.21 20 -2 5 0.73 2.45 20 -2 5 1.43 1.63 20 2 5 4.29 3.22 20 2 5 0.64 1.25 20 2 5 1.18 1.86 20 -2 6 9.32 3.11 20 -2 6 7.05 3.13 20 2 6 7.78 3.59 20 2 6 3.69 2.02 20 2 6 3.60 3.43 20 -3 -1 -1.74 2.64 20 -3 -1 0.59 1.71 20 3 -1 -0.45 1.49 20 3 -1 1.78 1.53 20 -3 0 0.63 2.84 20 -3 0 0.04 1.98 20 3 0 -4.15 3.14 20 3 0 0.24 2.34 20 -3 1 0.87 1.61 20 -3 1 3.72 3.13 20 3 1 2.51 2.30 20 3 1 -0.16 2.15 0 0 0 0.00 0.00 TITL 006_260K_SulfamerazineF1_ in Pna2(1) REM Pna2(1) (#33, found as Pbn2(1) in ba-c setting) CELL 0.68890 14.491358 8.206940 21.933177 90.0000 90.0000 90.0000 ZERR 8.00 0.000137 0.000084 0.000311 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 33226