data_210k_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 14.4763(2) _cell_length_b 8.19460(10) _cell_length_c 21.8522(4) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 2592.27(7) _cell_formula_units_Z 8 _cell_measurement_temperature 210 _cell_measurement_reflns_used 5924 _cell_measurement_theta_min 2.5650 _cell_measurement_theta_max 29.4940 _exptl_crystal_description Parallelepiped _exptl_crystal_colour Colourless _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_density_diffrn 1.354 _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 0.250 _shelx_estimated_absorpt_T_min 0.885 _shelx_estimated_absorpt_T_max 0.952 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.96981 _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 210 _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 12040 _diffrn_reflns_av_unetI/netI 0.0574 _diffrn_reflns_av_R_equivalents 0.0441 _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 -22 _diffrn_reflns_limit_l_max 27 _diffrn_reflns_theta_min 2.573 _diffrn_reflns_theta_max 29.474 _diffrn_reflns_theta_full 24.415 _diffrn_measured_fraction_theta_max 0.943 _diffrn_measured_fraction_theta_full 0.978 _diffrn_reflns_Laue_measured_fraction_max 0.943 _diffrn_reflns_Laue_measured_fraction_full 0.978 _diffrn_reflns_point_group_measured_fraction_max 0.811 _diffrn_reflns_point_group_measured_fraction_full 0.879 _reflns_number_total 6415 _reflns_number_gt 5007 _reflns_threshold_expression 'I > 2\s(I)' _reflns_Friedel_coverage 0.679 _reflns_Friedel_fraction_max 0.672 _reflns_Friedel_fraction_full 0.774 _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 1570 quotients [(I+)-(I-)]/[(I+)+(I-)] (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259). ; _refine_ls_abs_structure_Flack 0.10(7) _chemical_absolute_configuration ad _refine_ls_number_reflns 6415 _refine_ls_number_parameters 344 _refine_ls_number_restraints 1 _refine_ls_R_factor_all 0.0676 _refine_ls_R_factor_gt 0.0505 _refine_ls_wR_factor_ref 0.1389 _refine_ls_wR_factor_gt 0.1157 _refine_ls_goodness_of_fit_ref 1.090 _refine_ls_restrained_S_all 1.090 _refine_ls_shift/su_max 0.002 _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 0.64516(7) 0.49512(11) 0.34397(6) 0.0280(2) Uani 1 1 d . . . . . S2 S 0.57786(7) 0.49686(11) 0.65284(6) 0.0278(2) Uani 1 1 d . . . . . O1 O 0.6884(2) 0.3704(3) 0.30823(16) 0.0374(7) Uani 1 1 d . . . . . O2 O 0.5479(2) 0.5225(4) 0.33701(17) 0.0359(7) Uani 1 1 d . . . . . O3 O 0.6757(2) 0.4698(4) 0.65926(17) 0.0349(7) Uani 1 1 d . . . . . O4 O 0.5356(2) 0.6241(3) 0.68792(16) 0.0370(7) Uani 1 1 d . . . . . N1 N 0.8428(3) 1.1170(5) 0.3120(2) 0.0423(10) Uani 1 1 d . . . . . N2 N 0.6544(3) 0.4474(5) 0.4170(2) 0.0329(9) Uani 1 1 d . . . . . N3 N 0.8137(2) 0.4090(4) 0.41718(19) 0.0322(8) Uani 1 1 d . . . . . N4 N 0.7279(3) 0.4299(6) 0.5096(2) 0.0439(10) Uani 1 1 d . . . . . N5 N 0.3804(3) -0.1202(5) 0.6953(2) 0.0540(13) Uani 1 1 d . . . . . H5A H 0.3239 -0.1191 0.7074 0.070 Uiso 1 1 calc R U . . . H5B H 0.4079 -0.2116 0.6889 0.070 Uiso 1 1 calc R U . . . N6 N 0.5680(3) 0.5388(5) 0.5797(2) 0.0339(9) Uani 1 1 d . . . . . N7 N 0.4094(3) 0.5871(4) 0.58065(19) 0.0347(9) Uani 1 1 d . . . . . N8 N 0.4953(3) 0.5658(6) 0.4877(2) 0.0481(11) Uani 1 1 d . . . . . C1 C 0.7040(3) 0.6772(4) 0.3336(2) 0.0257(9) Uani 1 1 d . . . . . C2 C 0.7939(3) 0.6791(5) 0.3106(2) 0.0286(9) Uani 1 1 d . . . . . H2 H 0.8231 0.5817 0.3006 0.037 Uiso 1 1 calc R U . . . C3 C 0.8394(3) 0.8253(5) 0.3029(2) 0.0289(10) Uani 1 1 d . . . . . H3 H 0.8989 0.8262 0.2868 0.038 Uiso 1 1 calc R U . . . C4 C 0.7965(3) 0.9735(5) 0.3191(2) 0.0285(9) Uani 1 1 d . . . . . C5 C 0.7058(3) 0.9698(5) 0.3424(3) 0.0315(9) Uani 1 1 d . . . . . H5 H 0.6760 1.0669 0.3523 0.041 Uiso 1 1 calc R U . . . C6 C 0.6609(3) 0.8233(5) 0.3505(2) 0.0312(9) Uani 1 1 d . . . . . H6 H 0.6019 0.8213 0.3674 0.041 Uiso 1 1 calc R U . . . C7 C 0.7369(3) 0.4284(5) 0.4495(2) 0.0312(10) Uani 1 1 d . . . . . C8 C 0.8066(4) 0.4062(10) 0.5411(3) 0.0647(18) Uani 1 1 d . . . . . H8 H 0.8048 0.4057 0.5836 0.084 Uiso 1 1 calc R U . . . C9 C 0.8899(3) 0.3826(8) 0.5118(3) 0.0574(15) Uani 1 1 d . . . . . H9 H 0.9435 0.3634 0.5341 0.075 Uiso 1 1 calc R U . . . C10 C 0.8919(3) 0.3882(6) 0.4496(3) 0.0400(12) Uani 1 1 d . . . . . C11 C 0.9780(3) 0.3698(7) 0.4134(3) 0.0529(14) Uani 1 1 d . . . . . H11A H 0.9783 0.2651 0.3937 0.069 Uiso 1 1 calc R U . . . H11B H 1.0305 0.3783 0.4400 0.069 Uiso 1 1 calc R U . . . H11C H 0.9810 0.4542 0.3830 0.069 Uiso 1 1 calc R U . . . C12 C 0.5188(3) 0.3159(4) 0.6658(2) 0.0285(9) Uani 1 1 d . . . . . C13 C 0.5629(3) 0.1686(5) 0.6560(3) 0.0343(10) Uani 1 1 d . . . . . H13 H 0.6242 0.1680 0.6432 0.045 Uiso 1 1 calc R U . . . C14 C 0.5179(3) 0.0234(5) 0.6650(3) 0.0400(12) Uani 1 1 d . . . . . H14 H 0.5479 -0.0746 0.6569 0.052 Uiso 1 1 calc R U . . . C15 C 0.4263(3) 0.0228(5) 0.6863(2) 0.0337(10) Uani 1 1 d . . . . . C16 C 0.3823(3) 0.1729(5) 0.6965(2) 0.0316(10) Uani 1 1 d . . . . . H16 H 0.3213 0.1741 0.7098 0.041 Uiso 1 1 calc R U . . . C17 C 0.4277(3) 0.3179(5) 0.6872(2) 0.0255(9) Uani 1 1 d . . . . . H17 H 0.3981 0.4165 0.6951 0.033 Uiso 1 1 calc R U . . . C18 C 0.4865(3) 0.5661(5) 0.5486(2) 0.0311(9) Uani 1 1 d . . . . . C19 C 0.4179(4) 0.5971(9) 0.4562(3) 0.0627(18) Uani 1 1 d . . . . . H19 H 0.4203 0.6007 0.4137 0.082 Uiso 1 1 calc R U . . . C20 C 0.3346(4) 0.6242(9) 0.4854(3) 0.0659(18) Uani 1 1 d . . . . . H20 H 0.2815 0.6476 0.4630 0.086 Uiso 1 1 calc R U . . . C21 C 0.3319(3) 0.6158(6) 0.5475(3) 0.0403(11) Uani 1 1 d . . . . . C22 C 0.2448(4) 0.6362(8) 0.5844(3) 0.0616(16) Uani 1 1 d . . . . . H22A H 0.2441 0.7427 0.6027 0.080 Uiso 1 1 calc R U . . . H22B H 0.2426 0.5546 0.6159 0.080 Uiso 1 1 calc R U . . . H22C H 0.1921 0.6243 0.5581 0.080 Uiso 1 1 calc R U . . . H1N1 H 0.900(4) 1.126(7) 0.288(3) 0.061(17) Uiso 1 1 d . . . . . H2N1 H 0.811(3) 1.205(6) 0.318(2) 0.033(12) Uiso 1 1 d . . . . . H1N2 H 0.624(4) 0.482(6) 0.434(3) 0.038(18) Uiso 1 1 d . . . . . H1N6 H 0.618(4) 0.504(6) 0.558(3) 0.042(15) 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 0.0253(4) 0.0307(4) 0.0281(6) 0.0026(4) -0.0005(4) -0.0018(4) S2 0.0262(4) 0.0288(4) 0.0283(6) 0.0032(4) -0.0015(4) -0.0016(4) O1 0.0416(17) 0.0300(13) 0.041(2) -0.0056(13) 0.0009(15) -0.0012(13) O2 0.0271(14) 0.0455(16) 0.035(2) 0.0046(15) -0.0032(15) -0.0037(12) O3 0.0268(15) 0.0435(16) 0.034(2) 0.0065(15) -0.0068(14) -0.0019(12) O4 0.0442(19) 0.0295(14) 0.037(2) -0.0031(13) -0.0050(15) -0.0020(12) N1 0.041(2) 0.0293(17) 0.057(3) -0.0097(18) 0.016(2) -0.0041(15) N2 0.0246(18) 0.042(2) 0.032(3) 0.0050(18) 0.0002(17) 0.0025(15) N3 0.0259(17) 0.0352(17) 0.036(2) 0.0014(16) 0.0028(16) 0.0041(14) N4 0.0300(19) 0.073(3) 0.029(3) 0.004(2) 0.0008(17) 0.0095(19) N5 0.050(3) 0.0290(17) 0.083(4) -0.005(2) 0.018(2) -0.0087(17) N6 0.0245(17) 0.049(2) 0.028(2) 0.0086(18) 0.0060(16) 0.0030(15) N7 0.0269(18) 0.0386(18) 0.039(3) 0.0028(17) 0.0052(16) 0.0029(14) N8 0.037(2) 0.070(3) 0.038(3) 0.005(2) -0.0025(19) 0.013(2) C1 0.0222(18) 0.0277(16) 0.027(3) 0.0014(16) 0.0010(16) 0.0006(13) C2 0.0252(19) 0.0295(17) 0.031(3) -0.0012(16) -0.0005(17) 0.0034(14) C3 0.0255(19) 0.033(2) 0.028(3) -0.0016(18) 0.0053(18) 0.0024(15) C4 0.0281(19) 0.0326(18) 0.025(2) -0.0021(16) -0.0010(17) -0.0009(15) C5 0.031(2) 0.0284(17) 0.035(3) -0.0029(19) 0.008(2) 0.0029(14) C6 0.0232(17) 0.0357(19) 0.035(3) 0.0007(19) 0.0043(18) 0.0019(14) C7 0.027(2) 0.0330(19) 0.034(3) 0.0034(18) -0.0052(18) 0.0012(15) C8 0.045(3) 0.114(5) 0.035(4) -0.001(3) -0.015(3) 0.023(3) C9 0.032(2) 0.095(4) 0.045(4) -0.006(3) -0.007(2) 0.016(3) C10 0.032(2) 0.042(2) 0.046(4) -0.002(2) -0.005(2) 0.0091(19) C11 0.030(2) 0.070(3) 0.059(4) -0.006(3) 0.006(2) 0.009(2) C12 0.0287(19) 0.0281(16) 0.029(3) 0.0016(16) -0.0038(17) -0.0005(14) C13 0.029(2) 0.035(2) 0.039(3) -0.002(2) 0.011(2) 0.0041(15) C14 0.034(2) 0.0293(19) 0.056(4) -0.004(2) 0.001(2) 0.0037(16) C15 0.034(2) 0.0321(19) 0.035(3) -0.0029(17) 0.001(2) -0.0009(16) C16 0.030(2) 0.0312(18) 0.033(3) -0.0041(17) 0.0031(18) -0.0018(15) C17 0.027(2) 0.0285(17) 0.021(2) 0.0001(16) 0.0030(17) 0.0009(14) C18 0.029(2) 0.0340(19) 0.031(3) 0.0017(18) -0.0021(18) 0.0017(16) C19 0.039(3) 0.113(5) 0.036(4) 0.005(3) -0.004(2) 0.025(3) C20 0.039(3) 0.101(5) 0.058(5) -0.003(4) -0.011(3) 0.029(3) C21 0.026(2) 0.047(2) 0.048(4) -0.002(2) -0.001(2) 0.0057(18) C22 0.033(3) 0.077(4) 0.075(4) -0.005(3) 0.010(3) 0.011(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 1.430(3) . ? S1 O2 1.434(3) . ? S1 N2 1.649(5) . ? S1 C1 1.733(4) . ? S2 O4 1.432(3) . ? S2 O3 1.441(3) . ? S2 N6 1.640(4) . ? S2 C12 1.734(4) . ? N1 C4 1.363(5) . ? N1 H1N1 0.98(6) . ? N1 H2N1 0.86(4) . ? N2 C7 1.397(6) . ? N2 H1N2 0.64(5) . ? N3 C7 1.327(5) . ? N3 C10 1.346(6) . ? N4 C7 1.320(6) . ? N4 C8 1.345(6) . ? N5 C15 1.361(5) . ? N5 H5A 0.8600 . ? N5 H5B 0.8600 . ? N6 C18 1.380(6) . ? N6 H1N6 0.91(5) . ? N7 C18 1.328(5) . ? N7 C21 1.355(6) . ? N8 C18 1.337(6) . ? N8 C19 1.340(7) . ? C1 C2 1.394(5) . ? C1 C6 1.400(5) . ? C2 C3 1.378(6) . ? C2 H2 0.9300 . ? C3 C4 1.409(5) . ? C3 H3 0.9300 . ? C4 C5 1.409(6) . ? C5 C6 1.376(5) . ? C5 H5 0.9300 . ? C6 H6 0.9300 . ? C8 C9 1.378(8) . ? C8 H8 0.9300 . ? C9 C10 1.362(8) . ? C9 H9 0.9300 . ? C10 C11 1.484(7) . ? C11 H11A 0.9600 . ? C11 H11B 0.9600 . ? C11 H11C 0.9600 . ? C12 C13 1.382(5) . ? C12 C17 1.400(5) . ? C13 C14 1.371(6) . ? C13 H13 0.9300 . ? C14 C15 1.405(6) . ? C14 H14 0.9300 . ? C15 C16 1.403(6) . ? C16 C17 1.373(6) . ? C16 H16 0.9300 . ? C17 H17 0.9300 . ? C19 C20 1.383(8) . ? C19 H19 0.9300 . ? C20 C21 1.361(8) . ? C20 H20 0.9300 . ? C21 C22 1.506(7) . ? C22 H22A 0.9600 . ? C22 H22B 0.9600 . ? C22 H22C 0.9600 . ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag O1 S1 O2 118.9(2) . . ? O1 S1 N2 108.9(2) . . ? O2 S1 N2 102.7(2) . . ? O1 S1 C1 109.2(2) . . ? O2 S1 C1 109.52(18) . . ? N2 S1 C1 106.9(2) . . ? O4 S2 O3 118.7(2) . . ? O4 S2 N6 109.4(2) . . ? O3 S2 N6 102.3(2) . . ? O4 S2 C12 109.0(2) . . ? O3 S2 C12 109.69(18) . . ? N6 S2 C12 107.2(2) . . ? C4 N1 H1N1 123(3) . . ? C4 N1 H2N1 116(3) . . ? H1N1 N1 H2N1 117(4) . . ? C7 N2 S1 125.9(3) . . ? C7 N2 H1N2 110(6) . . ? S1 N2 H1N2 114(6) . . ? C7 N3 C10 116.2(4) . . ? C7 N4 C8 115.2(5) . . ? C15 N5 H5A 120.0 . . ? C15 N5 H5B 120.0 . . ? H5A N5 H5B 120.0 . . ? C18 N6 S2 126.1(3) . . ? C18 N6 H1N6 119(4) . . ? S2 N6 H1N6 111(4) . . ? C18 N7 C21 115.9(4) . . ? C18 N8 C19 115.6(5) . . ? C2 C1 C6 120.1(3) . . ? C2 C1 S1 121.1(3) . . ? C6 C1 S1 118.8(3) . . ? C3 C2 C1 120.0(4) . . ? C3 C2 H2 120.0 . . ? C1 C2 H2 120.0 . . ? C2 C3 C4 120.5(4) . . ? C2 C3 H3 119.8 . . ? C4 C3 H3 119.8 . . ? N1 C4 C5 121.2(4) . . ? N1 C4 C3 119.9(4) . . ? C5 C4 C3 118.9(4) . . ? C6 C5 C4 120.3(4) . . ? C6 C5 H5 119.8 . . ? C4 C5 H5 119.8 . . ? C5 C6 C1 120.1(4) . . ? C5 C6 H6 120.0 . . ? C1 C6 H6 120.0 . . ? N4 C7 N3 127.7(4) . . ? N4 C7 N2 114.8(4) . . ? N3 C7 N2 117.4(4) . . ? N4 C8 C9 121.6(6) . . ? N4 C8 H8 119.2 . . ? C9 C8 H8 119.2 . . ? C10 C9 C8 118.5(5) . . ? C10 C9 H9 120.7 . . ? C8 C9 H9 120.7 . . ? N3 C10 C9 120.8(5) . . ? N3 C10 C11 116.0(5) . . ? C9 C10 C11 123.2(5) . . ? C10 C11 H11A 109.5 . . ? C10 C11 H11B 109.5 . . ? H11A C11 H11B 109.5 . . ? C10 C11 H11C 109.5 . . ? H11A C11 H11C 109.5 . . ? H11B C11 H11C 109.5 . . ? C13 C12 C17 119.8(4) . . ? C13 C12 S2 119.6(3) . . ? C17 C12 S2 120.6(3) . . ? C14 C13 C12 121.1(4) . . ? C14 C13 H13 119.5 . . ? C12 C13 H13 119.5 . . ? C13 C14 C15 120.0(4) . . ? C13 C14 H14 120.0 . . ? C15 C14 H14 120.0 . . ? N5 C15 C16 120.6(4) . . ? N5 C15 C14 120.8(4) . . ? C16 C15 C14 118.5(4) . . ? C17 C16 C15 121.2(4) . . ? C17 C16 H16 119.4 . . ? C15 C16 H16 119.4 . . ? C16 C17 C12 119.3(4) . . ? C16 C17 H17 120.3 . . ? C12 C17 H17 120.3 . . ? N7 C18 N8 127.2(4) . . ? N7 C18 N6 118.6(4) . . ? N8 C18 N6 114.1(4) . . ? N8 C19 C20 121.6(6) . . ? N8 C19 H19 119.2 . . ? C20 C19 H19 119.2 . . ? C21 C20 C19 118.5(5) . . ? C21 C20 H20 120.8 . . ? C19 C20 H20 120.8 . . ? N7 C21 C20 121.2(5) . . ? N7 C21 C22 115.3(5) . . ? C20 C21 C22 123.5(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 61.4(4) . . . . ? O2 S1 N2 C7 -171.6(4) . . . . ? C1 S1 N2 C7 -56.4(4) . . . . ? O4 S2 N6 C18 -57.1(4) . . . . ? O3 S2 N6 C18 176.2(4) . . . . ? C12 S2 N6 C18 60.9(4) . . . . ? O1 S1 C1 C2 -18.9(4) . . . . ? O2 S1 C1 C2 -150.7(4) . . . . ? N2 S1 C1 C2 98.8(4) . . . . ? O1 S1 C1 C6 163.2(4) . . . . ? O2 S1 C1 C6 31.4(4) . . . . ? N2 S1 C1 C6 -79.1(4) . . . . ? C6 C1 C2 C3 -2.0(7) . . . . ? S1 C1 C2 C3 -179.9(4) . . . . ? C1 C2 C3 C4 1.2(7) . . . . ? C2 C3 C4 N1 179.1(4) . . . . ? C2 C3 C4 C5 -1.0(7) . . . . ? N1 C4 C5 C6 -178.5(5) . . . . ? C3 C4 C5 C6 1.6(7) . . . . ? C4 C5 C6 C1 -2.4(8) . . . . ? C2 C1 C6 C5 2.6(7) . . . . ? S1 C1 C6 C5 -179.5(4) . . . . ? C8 N4 C7 N3 -1.1(8) . . . . ? C8 N4 C7 N2 177.9(5) . . . . ? C10 N3 C7 N4 0.0(7) . . . . ? C10 N3 C7 N2 -178.9(4) . . . . ? S1 N2 C7 N4 164.1(4) . . . . ? S1 N2 C7 N3 -16.8(6) . . . . ? C7 N4 C8 C9 0.1(9) . . . . ? N4 C8 C9 C10 1.8(11) . . . . ? C7 N3 C10 C9 2.0(7) . . . . ? C7 N3 C10 C11 -178.8(4) . . . . ? C8 C9 C10 N3 -2.9(9) . . . . ? C8 C9 C10 C11 178.0(6) . . . . ? O4 S2 C12 C13 -156.8(4) . . . . ? O3 S2 C12 C13 -25.3(4) . . . . ? N6 S2 C12 C13 85.0(4) . . . . ? O4 S2 C12 C17 21.9(4) . . . . ? O3 S2 C12 C17 153.4(4) . . . . ? N6 S2 C12 C17 -96.3(4) . . . . ? C17 C12 C13 C14 2.3(7) . . . . ? S2 C12 C13 C14 -179.0(4) . . . . ? C12 C13 C14 C15 -2.1(8) . . . . ? C13 C14 C15 N5 179.9(5) . . . . ? C13 C14 C15 C16 1.5(8) . . . . ? N5 C15 C16 C17 -179.6(4) . . . . ? C14 C15 C16 C17 -1.3(7) . . . . ? C15 C16 C17 C12 1.5(7) . . . . ? C13 C12 C17 C16 -1.9(7) . . . . ? S2 C12 C17 C16 179.4(4) . . . . ? C21 N7 C18 N8 -1.9(7) . . . . ? C21 N7 C18 N6 179.1(4) . . . . ? C19 N8 C18 N7 3.0(8) . . . . ? C19 N8 C18 N6 -178.0(5) . . . . ? S2 N6 C18 N7 11.7(6) . . . . ? S2 N6 C18 N8 -167.4(4) . . . . ? C18 N8 C19 C20 -1.3(10) . . . . ? N8 C19 C20 C21 -1.1(11) . . . . ? C18 N7 C21 C20 -0.8(7) . . . . ? C18 N7 C21 C22 178.9(5) . . . . ? C19 C20 C21 N7 2.2(10) . . . . ? 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 2.29 3.076(5) 152.7 1_545 N1 H1N1 O4 0.98(6) 2.38(6) 3.233(5) 145(4) 4_654 N1 H2N1 O1 0.86(4) 2.24(5) 3.052(5) 156(4) 1_565 N2 H1N2 N8 0.64(5) 2.31(6) 2.937(6) 168(7) . N6 H1N6 N4 0.91(5) 2.01(6) 2.917(6) 179(5) . _refine_diff_density_max 0.256 _refine_diff_density_min -0.340 _refine_diff_density_rms 0.055 _shelx_res_file ; 210k_smz-f1_a.res created by SHELXL-2014/7 TITL 210k_smz-f1_a.res in Pna2(1) REM Old TITL 011_210K_SulfamerazineF1_ in Pna2(1) REM SHELXT solution in Pna2(1) REM R1 0.107, Rweak 0.027, Alpha 0.004, Orientation as input REM Flack x = 0.127 ( 0.067 ) from Parsons' quotients REM Formula found by SHELXT: C27 N3 O4 S2 CELL 0.68890 14.4763 8.1946 21.8522 90.000 90.000 90.000 ZERR 8.000 0.0002 0.0001 0.0004 0.000 0.000 0.000 REM SG 33 4 4 Pna21 PGmm2 Orthorhombic LATT -1 REM SG ASUN 1 .5 .5 1. REM SG ORGN on 2(1) SYMM -X,-Y,0.5+Z SYMM 0.5+X,0.5-Y,Z SYMM 0.5-X,0.5+Y,0.5+Z SFAC C H N O S UNIT 88.00 96.00 32.00 16.00 8.00 L.S. 10 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 0.54465 0.35344 S1 5 0.645163 0.495119 0.343975 11.00000 0.02534 0.03067 = 0.02807 0.00262 -0.00048 -0.00178 S2 5 0.577856 0.496857 0.652840 11.00000 0.02620 0.02880 = 0.02828 0.00319 -0.00154 -0.00160 O1 4 0.688381 0.370420 0.308232 11.00000 0.04156 0.03000 = 0.04061 -0.00556 0.00094 -0.00116 O2 4 0.547917 0.522538 0.337006 11.00000 0.02710 0.04545 = 0.03518 0.00457 -0.00316 -0.00372 O3 4 0.675703 0.469814 0.659258 11.00000 0.02681 0.04355 = 0.03445 0.00649 -0.00684 -0.00187 O4 4 0.535587 0.624147 0.687918 11.00000 0.04415 0.02946 = 0.03727 -0.00306 -0.00501 -0.00203 N1 3 0.842810 1.117040 0.311976 11.00000 0.04069 0.02932 = 0.05697 -0.00973 0.01646 -0.00405 N2 3 0.654378 0.447433 0.417021 11.00000 0.02459 0.04198 = 0.03220 0.00501 0.00018 0.00249 N3 3 0.813740 0.408972 0.417179 11.00000 0.02593 0.03522 = 0.03560 0.00135 0.00280 0.00406 N4 3 0.727943 0.429922 0.509567 11.00000 0.03003 0.07290 = 0.02862 0.00432 0.00081 0.00951 N5 3 0.380411 -0.120165 0.695292 11.00000 0.04967 0.02902 = 0.08332 -0.00511 0.01836 -0.00867 AFIX 93 H5A 2 0.323879 -0.119064 0.707382 11.00000 -1.30000 H5B 2 0.407942 -0.211589 0.688904 11.00000 -1.30000 AFIX 0 N6 3 0.567967 0.538810 0.579743 11.00000 0.02451 0.04870 = 0.02837 0.00864 0.00595 0.00304 N7 3 0.409440 0.587120 0.580646 11.00000 0.02686 0.03861 = 0.03876 0.00277 0.00517 0.00291 N8 3 0.495326 0.565800 0.487707 11.00000 0.03683 0.06988 = 0.03757 0.00483 -0.00252 0.01261 C1 1 0.704042 0.677165 0.333569 11.00000 0.02220 0.02769 = 0.02728 0.00143 0.00099 0.00063 C2 1 0.793909 0.679125 0.310642 11.00000 0.02522 0.02954 = 0.03106 -0.00117 -0.00045 0.00339 AFIX 43 H2 2 0.823146 0.581696 0.300581 11.00000 -1.30000 AFIX 0 C3 1 0.839421 0.825295 0.302883 11.00000 0.02549 0.03320 = 0.02806 -0.00160 0.00532 0.00236 AFIX 43 H3 2 0.898921 0.826206 0.286837 11.00000 -1.30000 AFIX 0 C4 1 0.796470 0.973485 0.319084 11.00000 0.02810 0.03263 = 0.02487 -0.00207 -0.00095 -0.00095 C5 1 0.705751 0.969808 0.342405 11.00000 0.03071 0.02844 = 0.03543 -0.00289 0.00828 0.00291 AFIX 43 H5 2 0.676016 1.066856 0.352342 11.00000 -1.30000 AFIX 0 C6 1 0.660924 0.823285 0.350550 11.00000 0.02320 0.03572 = 0.03455 0.00075 0.00430 0.00190 AFIX 43 H6 2 0.601913 0.821319 0.367355 11.00000 -1.30000 AFIX 0 C7 1 0.736865 0.428448 0.449453 11.00000 0.02671 0.03296 = 0.03403 0.00343 -0.00523 0.00123 C8 1 0.806615 0.406196 0.541091 11.00000 0.04520 0.11350 = 0.03529 -0.00086 -0.01488 0.02271 AFIX 43 H8 2 0.804762 0.405675 0.583631 11.00000 -1.30000 AFIX 0 C9 1 0.889888 0.382642 0.511847 11.00000 0.03203 0.09550 = 0.04466 -0.00570 -0.00728 0.01580 AFIX 43 H9 2 0.943512 0.363396 0.534145 11.00000 -1.30000 AFIX 0 C10 1 0.891933 0.388168 0.449568 11.00000 0.03213 0.04180 = 0.04599 -0.00231 -0.00537 0.00908 C11 1 0.978027 0.369823 0.413365 11.00000 0.02967 0.06959 = 0.05948 -0.00559 0.00624 0.00858 AFIX 137 H11A 2 0.978317 0.265116 0.393663 11.00000 -1.30000 H11B 2 1.030490 0.378260 0.440050 11.00000 -1.30000 H11C 2 0.980975 0.454223 0.382961 11.00000 -1.30000 AFIX 0 C12 1 0.518840 0.315930 0.665791 11.00000 0.02873 0.02806 = 0.02861 0.00155 -0.00379 -0.00050 C13 1 0.562939 0.168598 0.656022 11.00000 0.02882 0.03485 = 0.03932 -0.00180 0.01063 0.00410 AFIX 43 H13 2 0.624182 0.167975 0.643170 11.00000 -1.30000 AFIX 0 C14 1 0.517909 0.023427 0.664960 11.00000 0.03428 0.02929 = 0.05638 -0.00411 0.00098 0.00374 AFIX 43 H14 2 0.547944 -0.074584 0.656931 11.00000 -1.30000 AFIX 0 C15 1 0.426307 0.022783 0.686268 11.00000 0.03369 0.03206 = 0.03531 -0.00291 0.00089 -0.00093 C16 1 0.382306 0.172854 0.696500 11.00000 0.03020 0.03124 = 0.03326 -0.00411 0.00313 -0.00181 AFIX 43 H16 2 0.321292 0.174116 0.709814 11.00000 -1.30000 AFIX 0 C17 1 0.427672 0.317914 0.687218 11.00000 0.02691 0.02850 = 0.02122 0.00014 0.00297 0.00092 AFIX 43 H17 2 0.398148 0.416503 0.695081 11.00000 -1.30000 AFIX 0 C18 1 0.486502 0.566101 0.548620 11.00000 0.02857 0.03395 = 0.03083 0.00168 -0.00211 0.00172 C19 1 0.417916 0.597083 0.456188 11.00000 0.03897 0.11290 = 0.03630 0.00506 -0.00435 0.02542 AFIX 43 H19 2 0.420322 0.600651 0.413680 11.00000 -1.30000 AFIX 0 C20 1 0.334565 0.624178 0.485350 11.00000 0.03863 0.10121 = 0.05771 -0.00295 -0.01070 0.02948 AFIX 43 H20 2 0.281527 0.647607 0.463001 11.00000 -1.30000 AFIX 0 C21 1 0.331935 0.615766 0.547541 11.00000 0.02610 0.04707 = 0.04771 -0.00242 -0.00064 0.00572 C22 1 0.244779 0.636211 0.584419 11.00000 0.03320 0.07685 = 0.07479 -0.00513 0.00980 0.01131 AFIX 137 H22A 2 0.244054 0.742680 0.602740 11.00000 -1.30000 H22B 2 0.242629 0.554648 0.615922 11.00000 -1.30000 H22C 2 0.192114 0.624334 0.558096 11.00000 -1.30000 AFIX 0 H1N1 2 0.899888 1.126446 0.287879 11.00000 0.06089 H2N1 2 0.810947 1.204915 0.317562 11.00000 0.03251 H1N2 2 0.624077 0.481694 0.434157 11.00000 0.03847 H1N6 2 0.618110 0.504056 0.558482 11.00000 0.04188 HKLF 4 REM 210k_smz-f1_a.res in Pna2(1) REM R1 = 0.0505 for 5007 Fo > 4sig(Fo) and 0.0676 for all 6415 data REM 344 parameters refined using 1 restraints END WGHT 0.0605 0.4333 REM Highest difference peak 0.256, deepest hole -0.340, 1-sigma level 0.055 Q1 1 0.5463 0.3901 0.6549 11.00000 0.05 0.26 Q2 1 0.6692 0.6005 0.3462 11.00000 0.05 0.22 Q3 1 0.7388 0.4998 0.5091 11.00000 0.05 0.22 Q4 1 0.8229 0.8980 0.3229 11.00000 0.05 0.21 Q5 1 0.6296 0.8203 0.3528 11.00000 0.05 0.21 Q6 1 0.4099 0.5414 0.6291 11.00000 0.05 0.21 Q7 1 0.4526 0.3384 0.6556 11.00000 0.05 0.20 Q8 1 0.5582 0.2720 0.6737 11.00000 0.05 0.20 Q9 1 0.3945 0.0854 0.6871 11.00000 0.05 0.20 Q10 1 0.4420 0.3657 0.5143 11.00000 0.05 0.20 Q11 1 0.8219 0.7429 0.3255 11.00000 0.05 0.20 Q12 1 0.9501 0.4424 0.5296 11.00000 0.05 0.20 Q13 1 0.7618 0.9569 0.3365 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9.97 -3 5 -7 145.53 11.37 3 -5 -7 139.36 12.37 3 5 -6 112.45 8.95 -3 5 -6 105.19 9.74 3 -5 -6 108.63 10.99 3 5 -5 13.50 3.33 3 -5 -5 6.61 2.99 -3 5 -5 6.94 2.57 -3 5 -4 70.72 8.10 3 5 -4 94.71 8.55 3 -5 -4 87.17 9.54 3 5 -3 319.85 15.84 -3 5 -3 285.17 16.39 3 -5 -3 311.77 17.79 3 5 -2 14.68 3.64 -3 5 -2 18.92 4.43 3 -5 -2 15.70 4.08 3 -5 -1 372.27 18.95 -3 5 -1 388.18 19.03 3 5 -1 381.30 17.99 3 -5 0 159.78 12.61 -3 5 0 205.09 14.09 3 5 0 186.25 12.77 3 5 1 386.43 18.71 3 -5 1 371.44 18.73 -3 5 1 404.99 19.93 3 -5 2 12.31 4.22 -3 5 2 14.27 4.15 3 5 2 10.36 2.83 3 5 3 305.09 16.99 -3 5 3 322.63 18.03 3 -5 3 317.36 16.92 -3 5 4 82.48 9.28 3 5 4 91.14 9.54 3 -5 4 95.91 9.35 -3 5 5 12.95 3.63 3 -5 5 4.44 2.47 3 5 5 10.12 2.73 3 5 6 102.35 10.20 3 5 6 125.24 11.12 3 -5 6 120.97 10.45 3 5 7 161.27 12.90 3 5 7 139.92 11.90 3 -5 7 148.39 11.62 -3 5 7 116.39 10.82 3 -5 8 22.58 4.83 3 5 8 41.95 6.89 3 5 8 34.68 6.34 -3 5 8 27.97 5.47 3 5 9 318.24 19.21 3 -5 9 326.61 17.15 -3 5 9 352.46 19.79 3 5 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4.31 3 -6 -11 120.37 12.96 -3 6 -10 54.52 7.73 3 -6 -10 58.74 9.23 -3 6 -9 37.55 6.65 3 -6 -9 55.13 8.64 3 6 -8 56.89 7.15 -3 6 -8 69.04 8.93 3 -6 -8 42.50 7.26 3 6 -7 141.72 11.02 -3 6 -7 139.16 12.33 3 -6 -7 141.83 13.18 3 6 -6 21.71 4.44 -3 6 -6 23.11 5.28 3 -6 -6 26.43 5.92 3 -6 -5 125.18 12.39 -3 6 -5 110.51 10.83 3 6 -5 122.67 10.54 -3 6 -4 18.27 4.44 3 -6 -4 16.03 5.22 3 6 -4 24.93 4.56 -3 6 -3 119.04 11.56 3 6 -3 136.91 11.58 3 -6 -3 139.53 12.67 -3 6 -2 173.87 14.07 3 6 -2 147.04 11.97 3 -6 -2 154.33 13.59 -3 6 -1 158.59 13.13 3 6 -1 164.84 12.75 3 -6 -1 191.30 14.56 -3 6 0 0.91 2.49 3 6 0 -1.37 1.71 3 -6 0 -0.14 2.24 3 6 1 132.06 11.73 3 -6 1 121.70 11.47 -3 6 1 151.56 13.21 3 -6 2 145.78 12.44 -3 6 2 152.63 13.12 3 6 2 183.59 14.04 3 6 3 151.80 12.60 3 -6 3 113.61 11.08 -3 6 3 149.56 13.26 3 6 4 22.55 5.59 -3 6 4 17.94 4.60 3 -6 4 19.68 4.52 3 -6 5 115.40 11.08 3 6 5 102.61 10.87 -3 6 5 105.38 11.34 3 6 6 24.21 5.76 -3 6 6 23.36 5.20 3 -6 6 30.66 5.69 3 6 7 151.17 13.17 -3 6 7 153.87 14.09 3 -6 7 140.44 12.35 3 6 7 170.32 14.47 3 6 8 44.00 6.87 -3 6 8 55.50 8.23 3 -6 8 48.41 7.16 3 6 8 45.28 7.53 3 -6 9 53.20 7.60 -3 6 9 54.82 8.62 3 6 9 34.56 6.47 3 6 9 53.54 8.04 3 6 10 59.48 8.81 -3 6 10 40.12 7.82 3 -6 10 45.19 6.90 3 6 10 58.61 8.97 -3 6 11 129.25 13.13 3 6 11 118.29 12.91 3 6 11 105.35 11.85 3 -6 11 100.84 10.20 3 -6 12 16.21 4.74 3 6 12 14.18 4.36 3 6 12 25.76 5.88 -3 6 12 20.61 5.74 -3 6 13 250.13 18.68 3 6 13 248.38 18.58 3 6 13 230.86 17.39 3 -6 13 219.80 15.27 3 6 14 25.37 6.46 3 6 14 21.81 5.74 -3 6 14 17.88 5.81 -3 6 15 108.17 12.71 3 6 15 113.11 12.18 3 6 15 99.88 11.98 -3 6 16 45.78 9.17 3 6 16 52.94 9.08 3 6 16 38.88 7.42 -3 6 17 13.94 5.57 3 6 17 7.18 4.02 -3 6 18 43.10 8.20 3 6 18 44.79 8.97 3 6 19 83.09 11.47 -3 6 19 60.72 9.99 -3 6 20 7.46 3.45 3 6 20 2.72 3.30 -3 6 21 22.24 5.96 3 6 21 17.08 5.64 -3 6 21 21.65 7.07 -3 6 22 0.54 2.81 3 6 22 0.12 2.31 -3 6 22 8.40 5.40 3 6 23 2.94 2.06 -3 6 23 3.91 3.70 3 6 24 11.99 5.13 -3 6 24 6.61 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5 29.51 6.42 3 -7 5 35.54 6.94 3 7 6 101.02 11.44 -3 7 6 86.64 11.16 3 -7 6 102.34 11.26 -3 7 7 57.63 9.43 3 7 7 56.75 8.99 3 -7 7 49.79 7.82 3 7 8 16.01 5.87 -3 7 8 24.26 6.17 3 -7 8 22.25 5.13 3 7 9 178.10 15.74 -3 7 9 212.55 17.60 3 -7 9 168.61 14.39 3 -7 10 48.73 7.87 -3 7 10 56.42 8.98 3 7 10 65.58 9.64 -3 7 11 -0.07 3.17 3 -7 11 8.40 3.65 3 7 11 1.88 2.75 -3 7 12 24.92 7.01 3 7 12 37.64 7.28 3 -7 12 24.81 5.65 3 7 13 100.64 12.37 -3 7 13 93.83 12.11 3 7 14 22.66 6.14 -3 7 14 32.27 6.78 3 7 15 31.10 6.97 -3 7 15 16.57 5.91 3 7 16 76.17 11.02 -3 7 16 83.76 12.07 3 7 17 45.21 9.25 -3 7 17 53.13 10.47 -3 7 18 -2.93 4.23 3 7 18 2.92 3.83 -3 7 19 89.95 13.21 3 7 19 58.49 9.65 3 7 20 21.24 6.65 -3 7 20 19.07 5.61 -3 7 21 12.76 5.62 -3 7 21 11.10 4.86 3 7 21 13.59 6.35 3 7 22 20.43 6.05 -3 7 22 30.78 9.09 -3 7 22 35.11 8.58 3 7 23 18.82 8.05 -3 7 23 22.81 6.68 3 7 24 32.99 9.20 -3 7 24 20.88 6.66 3 -8 -15 30.86 7.34 3 -8 -14 21.58 6.43 3 -8 -13 97.97 12.42 3 -8 -12 33.75 7.67 3 -8 -11 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8 11 1.62 2.53 3 8 11 0.77 2.86 3 -8 11 1.51 2.34 3 8 12 25.84 6.54 -3 8 12 19.88 6.26 -3 8 13 87.49 12.30 3 8 13 62.63 10.20 3 8 14 17.94 6.22 -3 8 14 7.49 4.68 3 8 15 28.81 7.40 -3 8 15 28.24 6.71 3 8 16 9.25 4.31 -3 8 16 11.90 5.27 -3 8 17 18.01 5.88 3 8 17 8.24 4.53 3 8 18 4.99 4.18 -3 8 18 1.13 3.55 -3 8 19 11.02 6.13 3 8 19 12.56 6.63 3 8 20 5.38 3.81 -3 8 20 9.24 5.09 -3 8 20 -3.54 2.35 -3 8 21 4.15 2.80 3 8 21 7.06 4.99 -3 8 21 1.43 4.10 -3 8 22 1.44 4.92 3 8 22 -0.85 4.96 -3 8 22 9.40 7.16 3 -9 -14 12.34 4.21 3 -9 -13 30.35 7.63 3 -9 -12 -0.07 2.21 3 -9 -11 17.95 6.31 3 -9 -10 18.40 5.85 3 -9 -9 119.44 13.70 -3 9 -8 41.27 7.87 3 -9 -8 49.77 9.63 3 -9 -7 102.18 13.51 -3 9 -7 85.80 12.38 -3 9 -6 88.06 12.13 3 -9 -6 88.38 12.17 3 -9 -5 77.18 11.05 -3 9 -5 85.98 11.79 3 9 -4 128.77 14.31 -3 9 -4 114.67 13.93 3 9 -3 155.75 15.19 3 -9 -3 152.68 15.69 -3 9 -3 175.80 16.81 -3 9 -2 24.78 6.20 3 9 -2 36.62 7.65 3 -9 -2 29.05 7.56 -3 9 -1 128.98 14.49 3 9 -1 118.33 13.37 3 -9 -1 103.22 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1416.33 23.78 4 0 -8 398.45 12.19 4 0 -7 52.27 4.46 4 0 -6 180.44 8.32 4 0 -5 402.07 12.41 4 0 -4 183.57 8.23 4 0 -3 1832.36 26.41 4 0 -2 1253.65 22.19 4 0 -1 681.16 16.46 4 0 0 876.01 19.09 4 0 1 691.32 17.22 4 0 2 1188.99 23.10 4 0 3 1857.71 30.19 4 0 4 185.22 9.82 4 0 5 430.20 15.46 4 0 6 236.06 11.74 4 0 7 57.46 5.97 4 0 8 380.61 15.46 4 0 9 1478.58 31.24 4 0 10 107.12 8.67 4 0 11 1482.08 33.16 4 0 12 165.74 11.48 4 0 13 169.70 11.72 4 0 14 256.36 14.78 4 0 15 351.81 18.00 -4 0 16 184.72 9.50 4 0 16 200.39 13.71 4 0 17 907.91 30.09 4 0 18 222.22 15.30 4 0 19 215.13 15.24 4 0 20 151.24 13.25 4 0 21 130.92 12.51 4 -1 -16 374.09 16.52 4 -1 -15 12.29 3.42 4 -1 -14 48.00 5.92 4 -1 -13 68.55 7.00 4 1 -12 65.56 3.56 4 -1 -12 92.38 7.57 4 -1 -11 139.16 9.20 4 1 -11 130.61 5.12 4 1 -10 798.79 13.04 4 -1 -10 792.21 21.80 4 -1 -9 9.10 2.36 4 1 -9 10.08 1.49 4 -1 -8 242.08 11.37 4 1 -8 247.96 7.84 4 -1 -7 73.63 6.26 4 -1 -6 129.64 8.17 4 1 -6 157.63 6.64 4 -1 -5 138.42 8.31 4 1 -5 130.67 6.20 4 -1 -4 455.46 14.94 4 1 -4 513.52 12.87 4 -1 -3 56.23 5.26 4 1 -3 61.03 4.59 4 1 -2 102.31 6.23 4 -1 -2 93.37 6.83 4 1 -1 24.50 3.21 4 -1 -1 28.01 3.62 4 -1 0 302.51 11.88 4 1 0 302.84 11.42 4 -1 1 22.49 3.50 4 1 1 26.50 3.59 4 1 2 99.37 6.96 4 -1 2 92.42 6.81 4 -1 3 52.84 5.15 4 1 3 52.14 5.09 4 -1 4 504.09 16.02 4 1 4 502.42 16.44 4 1 5 131.93 8.79 4 -1 5 127.33 8.25 4 -1 6 161.78 9.52 4 1 6 159.36 9.76 4 1 7 71.60 6.79 4 -1 7 70.38 6.39 4 1 8 258.73 13.15 4 -1 8 263.52 12.65 4 -1 9 6.53 1.80 4 1 9 11.74 3.20 4 1 10 871.58 25.53 4 -1 10 815.73 23.08 4 1 11 121.95 9.83 4 -1 11 124.72 9.18 4 -1 12 87.03 8.16 4 1 12 86.37 8.63 4 -1 13 58.25 6.87 4 1 13 59.59 7.37 4 1 14 53.57 6.90 4 -1 14 53.06 6.65 4 1 15 17.05 3.91 4 -1 15 13.01 3.22 4 1 16 367.75 19.00 4 -1 16 345.00 17.58 4 1 17 27.52 5.23 4 -1 17 31.52 5.02 4 1 18 96.49 10.24 4 -1 18 84.12 9.23 -4 1 18 73.30 7.53 4 1 19 68.82 8.92 4 -1 19 42.32 6.46 4 -1 20 3.04 2.49 4 1 20 8.02 4.16 4 1 21 14.42 5.11 4 1 22 9.88 3.65 4 -2 -17 18.20 4.27 4 -2 -16 280.01 16.16 4 -2 -15 193.25 13.34 4 -2 -14 64.02 7.61 4 -2 -13 159.09 11.48 4 -2 -12 297.13 15.70 -4 2 -11 51.56 3.36 4 -2 -11 63.75 7.14 4 -2 -10 308.62 15.35 -4 2 -10 319.97 9.09 4 -2 -9 118.49 9.29 4 2 -9 88.57 3.79 4 2 -8 23.34 2.22 4 -2 -8 23.05 3.91 4 2 -7 5.89 1.15 4 -2 -7 7.13 2.47 4 -2 -6 11.83 2.91 4 2 -6 7.74 1.53 4 2 -5 50.33 4.10 4 -2 -5 50.67 5.66 4 -2 -4 973.01 24.90 4 2 -4 1060.06 19.56 4 -2 -3 324.00 14.15 4 2 -3 341.61 11.62 4 2 -2 145.71 8.03 4 -2 -2 126.60 8.80 4 -2 -1 76.32 6.89 4 2 -1 100.13 6.83 4 -2 0 120.57 8.48 4 2 0 105.06 7.20 4 -2 1 72.78 6.54 4 2 1 81.86 6.63 4 2 2 144.32 9.15 4 2 3 332.45 14.03 4 -2 3 327.70 14.17 4 -2 4 1010.98 24.79 4 2 4 1081.43 25.70 4 -2 5 34.44 4.79 4 2 6 4.01 2.51 4 -2 6 5.18 2.04 4 2 7 4.32 2.09 4 -2 7 9.49 2.48 4 -2 8 24.80 4.29 4 2 8 23.10 4.32 4 -2 9 112.69 8.75 4 2 9 118.15 10.15 4 -2 10 308.26 14.73 4 2 10 316.46 16.26 4 -2 11 76.24 7.48 4 2 11 63.50 7.51 4 -2 12 287.83 14.52 4 2 12 270.60 15.94 4 -2 13 140.41 10.54 4 2 13 158.21 12.66 4 -2 14 55.67 6.71 4 2 14 59.18 7.70 4 -2 15 193.58 12.53 4 2 15 184.59 13.95 4 -2 16 339.56 16.95 4 2 16 294.81 17.94 4 2 17 14.78 4.38 4 -2 17 13.57 3.33 4 2 18 15.09 4.70 4 -2 18 12.78 3.79 4 -2 19 153.47 12.54 4 2 19 175.34 14.65 -4 2 20 10.87 3.61 4 2 20 13.43 4.50 4 2 21 94.37 11.53 4 2 22 65.58 9.75 4 2 23 4.42 3.65 4 2 24 1.39 2.57 4 -3 -18 12.78 3.66 4 -3 -17 42.63 7.07 4 -3 -16 18.37 4.64 4 -3 -15 60.43 8.15 4 -3 -14 2.62 1.53 4 -3 -13 41.12 6.66 -4 3 -12 53.32 4.88 4 -3 -12 51.81 7.27 4 -3 -11 12.93 3.82 -4 3 -11 11.22 2.18 -4 3 -10 26.91 3.59 4 -3 -10 18.38 3.82 -4 3 -9 67.04 5.74 4 3 -9 55.85 3.78 4 -3 -9 54.33 7.03 -4 3 -8 7.44 2.40 4 3 -8 7.93 1.69 4 -3 -8 5.03 2.00 -4 3 -7 52.27 5.10 4 -3 -7 62.20 7.18 4 3 -7 61.58 4.75 4 -3 -6 454.35 19.32 4 3 -6 510.54 14.66 4 3 -5 72.83 5.65 4 -3 -5 71.28 7.62 4 3 -4 24.73 3.45 4 -3 -4 20.68 3.71 4 3 -3 78.49 6.27 4 -3 -3 87.07 8.08 4 3 -2 80.11 6.60 4 -3 -2 85.19 7.79 4 3 -1 157.91 9.56 4 -3 -1 171.42 11.39 4 3 0 451.96 16.81 4 -3 0 549.47 19.61 4 -3 1 175.56 11.00 4 3 1 142.41 9.73 4 -3 2 66.87 6.81 4 3 2 69.70 6.89 4 -3 3 76.57 7.40 4 3 3 77.10 7.42 4 -3 4 22.03 3.88 4 3 4 17.06 3.83 4 -3 5 84.16 7.85 4 3 5 68.93 7.31 4 -3 6 541.66 19.70 4 3 6 513.97 20.15 4 -3 7 62.99 6.64 4 3 7 58.66 7.08 4 3 8 1.87 1.34 4 -3 8 4.41 2.05 4 3 9 42.74 6.48 4 -3 9 46.94 6.19 4 -3 10 23.61 4.62 4 3 10 16.27 4.02 4 3 11 10.82 3.01 4 -3 11 13.19 3.16 4 -3 12 56.42 6.69 4 3 12 56.75 7.44 4 3 13 34.46 5.89 4 -3 13 32.86 5.36 4 3 14 1.07 1.80 4 -3 14 0.88 0.99 4 -3 15 60.89 7.39 4 3 15 60.73 8.37 4 -3 16 15.87 4.31 4 3 16 19.46 4.75 4 -3 17 39.31 6.44 4 3 17 38.48 6.73 4 3 18 15.66 4.99 4 3 19 6.43 4.10 4 3 20 1.06 2.15 4 3 21 1.14 2.15 -4 3 21 1.19 3.03 4 3 22 5.78 4.22 4 3 23 6.93 4.37 4 3 24 9.98 5.28 4 3 25 -0.41 2.40 4 -4 -18 13.27 4.61 4 -4 -17 12.23 4.60 4 -4 -16 191.30 15.51 4 -4 -15 792.50 31.44 4 -4 -14 119.66 12.21 4 -4 -13 51.44 8.22 4 -4 -12 210.56 15.45 -4 4 -11 183.85 11.10 4 -4 -11 197.23 15.01 -4 4 -10 212.74 12.07 4 -4 -10 210.68 15.13 -4 4 -9 123.17 9.36 4 -4 -9 147.50 12.12 4 4 -9 130.39 7.43 -4 4 -8 23.89 4.18 4 4 -8 25.16 3.72 4 -4 -8 26.79 5.00 4 4 -7 253.52 11.70 4 -4 -7 226.72 15.30 -4 4 -7 213.99 12.47 4 4 -6 24.61 3.92 -4 4 -6 22.48 4.64 4 -4 -6 32.21 5.50 4 -4 -5 141.77 11.49 4 4 -5 116.84 8.46 -4 4 -5 138.78 10.00 -4 4 -4 428.26 18.07 4 4 -4 423.17 16.35 4 -4 -4 438.27 20.18 4 -4 -3 174.60 12.73 4 4 -3 170.37 10.75 4 4 -2 9.82 2.30 4 -4 -2 10.36 2.75 4 -4 -1 16.88 3.95 4 4 -1 7.80 2.43 4 -4 0 16.42 3.70 4 4 0 19.16 3.93 4 -4 1 8.83 3.01 4 4 1 4.88 2.46 4 -4 2 10.76 3.14 4 4 2 13.08 3.39 4 -4 3 143.90 10.94 4 4 3 160.94 11.32 4 -4 4 450.75 19.45 4 4 4 417.25 18.86 4 -4 5 136.06 10.64 4 4 5 121.80 10.35 4 -4 6 24.13 4.55 4 4 6 34.08 5.64 4 -4 7 226.22 13.78 4 4 7 231.76 15.06 4 -4 8 24.45 4.49 4 4 8 21.66 4.80 4 -4 9 155.58 11.47 4 4 9 138.63 11.85 4 -4 10 194.96 13.39 4 4 10 206.04 14.82 4 4 11 215.06 15.21 4 -4 11 234.35 14.64 4 -4 12 209.05 13.79 4 4 12 231.69 16.05 4 -4 13 66.76 8.05 4 4 13 71.22 9.38 4 4 14 130.22 12.66 4 -4 14 131.36 10.98 4 4 15 768.97 30.79 4 -4 15 787.93 27.42 4 4 16 182.11 15.20 4 -4 16 171.42 12.99 4 4 17 10.57 3.97 4 4 18 25.65 6.22 4 4 19 8.63 4.75 4 4 20 74.50 10.01 4 4 21 108.30 13.15 4 4 22 32.59 7.46 -4 4 22 29.78 6.93 -4 4 22 19.21 5.98 4 4 23 20.25 5.52 4 4 24 14.71 5.31 4 4 25 42.72 9.15 4 4 26 54.27 10.09 4 -5 -18 33.81 6.75 4 -5 -17 102.07 12.78 4 -5 -16 136.86 13.88 4 -5 -15 224.83 17.42 4 -5 -14 16.51 5.32 4 -5 -13 145.86 14.03 4 -5 -12 173.94 14.93 -4 5 -11 0.56 2.30 4 -5 -11 4.37 3.32 -4 5 -10 83.87 8.92 4 -5 -10 83.62 10.30 4 5 -9 42.57 5.79 -4 5 -9 48.76 6.68 4 -5 -9 40.57 6.92 -4 5 -8 23.07 4.78 4 5 -8 24.91 4.19 4 -5 -8 32.12 6.50 4 -5 -7 25.79 5.67 -4 5 -7 29.92 5.18 4 5 -7 28.32 4.43 4 -5 -6 12.51 3.55 4 5 -6 9.17 3.01 -4 5 -6 9.86 3.70 4 -5 -5 21.10 4.59 4 5 -5 31.42 4.84 -4 5 -5 37.36 6.05 4 5 -4 124.97 9.80 -4 5 -4 100.69 9.86 4 -5 -4 127.61 11.78 4 5 -3 25.09 4.23 -4 5 -3 40.02 6.39 4 -5 -3 29.81 6.16 4 5 -2 1.73 1.32 -4 5 -2 2.26 2.01 4 -5 -2 4.00 2.47 -4 5 -1 77.59 8.82 4 -5 -1 78.30 8.94 4 5 -1 90.94 8.90 -4 5 0 39.56 6.13 4 -5 0 24.65 4.73 4 5 0 42.40 6.31 4 -5 1 68.89 8.01 4 5 1 76.65 8.38 4 -5 2 3.40 2.29 4 5 2 9.25 2.92 4 5 3 31.81 5.43 4 -5 3 40.37 6.37 4 -5 4 123.58 10.74 4 5 4 133.82 11.67 4 5 5 33.16 6.24 4 -5 5 26.57 5.21 4 -5 6 15.32 3.75 4 5 6 10.10 2.96 4 -5 7 26.11 4.81 4 5 7 48.56 7.29 4 -5 8 27.98 4.98 4 5 8 28.36 5.59 4 5 9 43.96 6.94 4 -5 9 44.89 6.75 4 -5 10 89.02 9.45 4 5 10 86.16 10.12 4 -5 11 6.58 2.67 4 5 11 4.68 3.12 4 -5 12 148.00 12.48 4 5 12 164.60 14.22 4 5 13 128.82 12.98 4 -5 13 115.83 10.96 4 -5 14 21.65 5.49 4 5 14 16.90 4.72 4 5 15 188.04 15.87 4 -5 15 208.83 14.76 4 5 16 118.36 12.85 4 5 17 93.39 11.63 -4 5 17 108.11 12.09 4 5 18 41.62 7.97 -4 5 18 24.36 5.70 4 5 19 5.74 3.60 -4 5 19 3.39 3.04 4 5 20 17.48 5.62 -4 5 20 15.88 5.59 -4 5 21 3.42 4.46 4 5 21 -1.87 3.04 -4 5 22 2.04 2.29 -4 5 22 13.84 5.38 4 5 22 17.46 6.33 -4 5 23 1.02 2.22 4 5 23 2.01 4.62 4 5 24 26.70 8.12 4 5 25 5.69 4.11 4 5 26 -2.83 3.40 4 -6 -18 7.94 3.42 4 -6 -17 118.74 13.41 4 -6 -16 30.93 7.38 4 -6 -15 538.27 28.28 4 -6 -14 139.67 14.69 4 -6 -13 37.98 7.59 4 -6 -12 40.76 8.39 4 -6 -11 483.95 25.60 -4 6 -11 470.24 22.71 4 -6 -10 121.53 13.13 -4 6 -10 91.32 10.28 4 -6 -9 198.48 16.15 -4 6 -9 192.24 14.70 4 6 -8 51.23 7.01 -4 6 -8 62.41 7.91 4 -6 -8 55.54 8.31 4 6 -7 25.30 4.78 -4 6 -7 16.07 4.84 4 -6 -7 21.51 5.71 -4 6 -6 230.50 16.23 4 6 -6 214.57 13.86 4 -6 -6 253.57 17.77 -4 6 -5 348.09 19.85 4 -6 -5 311.90 19.65 4 6 -4 10.43 3.37 -4 6 -4 7.11 4.25 4 -6 -4 14.01 4.45 4 -6 -3 129.36 12.39 -4 6 -3 149.94 12.93 4 6 -3 138.26 11.69 4 -6 -2 32.85 6.54 4 6 -2 19.18 4.61 -4 6 -2 25.95 5.07 -4 6 -1 167.24 14.53 4 -6 -1 152.79 13.49 4 6 -1 161.99 13.20 -4 6 0 239.00 16.55 4 -6 0 246.21 16.85 4 6 0 244.12 16.32 4 -6 1 184.42 14.61 -4 6 1 178.75 14.55 4 6 1 160.77 13.05 -4 6 2 21.71 5.62 4 -6 2 24.45 5.24 4 6 2 29.68 5.60 -4 6 3 158.42 13.69 4 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6 23 32.64 6.85 4 6 23 43.79 10.14 -4 6 24 23.22 8.05 4 6 24 42.24 9.06 4 6 25 8.46 5.39 4 6 26 19.64 7.11 4 -7 -18 64.98 11.12 4 -7 -17 20.97 6.03 4 -7 -16 18.40 6.82 4 -7 -15 19.17 6.34 4 -7 -14 23.89 6.19 4 -7 -13 73.64 11.02 4 -7 -12 17.03 5.95 4 -7 -11 51.64 8.70 -4 7 -10 89.51 11.03 4 -7 -10 103.33 12.12 4 -7 -9 8.03 4.13 -4 7 -9 12.09 3.62 -4 7 -8 121.52 12.82 4 -7 -8 114.42 12.77 4 -7 -7 4.67 4.21 -4 7 -7 5.89 1.93 4 7 -7 14.30 5.86 4 7 -6 25.44 6.19 -4 7 -6 18.70 4.92 4 -7 -6 26.44 6.46 -4 7 -5 38.05 7.14 4 -7 -5 20.83 5.99 4 7 -5 39.02 7.34 4 7 -4 9.80 3.73 -4 7 -4 9.76 2.75 4 -7 -4 11.82 4.48 4 7 -3 17.30 5.31 4 -7 -3 16.91 5.37 4 7 -2 5.98 3.41 4 -7 -2 3.46 2.11 4 7 -1 11.57 3.63 -4 7 -1 20.38 5.42 4 -7 -1 8.21 3.68 4 7 0 41.28 7.40 4 -7 0 54.27 8.95 -4 7 0 57.23 9.29 4 7 1 13.80 4.52 -4 7 1 14.16 4.04 4 -7 1 14.03 4.99 4 7 2 13.99 4.85 -4 7 2 16.60 5.49 4 -7 2 9.27 3.31 -4 7 3 20.67 5.87 4 7 3 16.93 4.31 4 -7 3 19.48 5.94 4 -7 4 10.41 4.62 -4 7 4 9.78 4.26 4 7 4 6.11 3.52 -4 7 5 44.09 8.10 4 7 5 37.08 7.50 4 -7 5 47.66 7.78 -4 7 6 18.30 5.50 4 7 6 30.74 6.40 4 -7 6 32.80 6.41 4 -7 7 6.11 3.34 4 7 7 6.19 3.79 -4 7 7 1.84 2.79 4 -7 8 111.64 12.38 -4 7 8 111.36 12.63 4 7 8 86.35 10.85 4 7 9 8.97 3.87 4 -7 9 12.35 4.02 -4 7 9 12.48 4.95 4 7 10 98.11 11.93 -4 7 10 136.53 14.25 4 -7 10 107.15 11.92 4 -7 11 58.68 8.62 4 7 11 53.41 8.66 -4 7 11 64.11 10.21 4 -7 12 16.82 5.47 4 7 12 28.34 6.58 -4 7 12 18.75 5.72 -4 7 13 67.81 10.63 4 7 13 86.53 11.42 4 7 14 14.41 5.25 -4 7 14 11.54 5.00 4 7 15 21.86 7.00 -4 7 15 24.95 6.37 -4 7 16 25.83 6.83 4 7 16 23.01 6.56 -4 7 17 19.43 5.16 4 7 17 26.29 6.79 -4 7 18 63.47 11.00 4 7 18 59.03 10.13 4 7 19 40.82 8.71 -4 7 19 67.09 10.56 4 7 20 10.41 5.62 -4 7 20 26.48 8.34 4 7 21 0.35 3.20 -4 7 21 2.81 2.97 4 7 22 10.92 4.95 -4 7 22 2.14 3.82 -4 7 22 10.29 6.22 -4 7 23 9.10 5.91 4 7 23 8.22 5.06 -4 7 23 5.03 5.16 -4 7 24 -2.92 4.97 4 7 24 -3.01 4.50 4 -8 -17 -2.62 3.73 4 -8 -16 28.71 7.37 4 -8 -15 6.08 4.63 4 -8 -14 2.21 2.60 4 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12.49 6 0 12 183.42 13.28 6 0 13 253.70 15.69 6 0 14 1124.78 34.32 6 0 15 517.45 23.53 6 0 16 1963.62 47.65 6 0 17 209.12 15.42 6 0 18 22.89 6.10 6 0 19 51.00 8.42 6 0 20 3.83 2.76 6 0 21 55.40 8.46 6 0 22 181.02 16.10 6 -1 -16 3.04 2.83 6 -1 -15 147.82 10.73 6 -1 -14 398.63 17.93 6 -1 -13 31.56 4.94 6 -1 -12 103.33 9.39 6 1 -12 98.44 6.43 6 1 -11 102.20 6.63 6 -1 -11 104.53 8.84 6 -1 -10 6.07 1.98 6 1 -10 6.21 1.59 6 1 -9 63.78 5.55 6 -1 -9 66.07 6.76 6 -1 -8 48.33 5.89 6 1 -8 48.03 4.75 6 -1 -7 398.14 16.79 6 1 -7 401.05 14.06 6 -1 -6 618.87 20.71 6 1 -6 622.22 17.84 6 -1 -5 775.47 22.99 6 1 -5 780.71 20.09 6 -1 -4 177.61 10.97 6 1 -4 171.53 9.58 6 -1 -3 119.57 8.95 6 1 -3 109.52 7.72 6 -1 -2 4.77 1.38 6 1 -2 3.29 1.21 6 1 -1 20.16 3.38 6 -1 -1 20.92 3.83 6 1 0 2.24 1.01 6 -1 0 3.43 1.35 6 1 1 22.16 3.95 6 -1 1 15.55 3.45 6 1 2 3.35 2.05 6 -1 2 2.59 1.67 6 1 3 119.20 9.22 6 -1 3 111.15 8.94 6 1 4 167.84 10.99 6 -1 4 182.22 11.54 6 1 5 782.61 24.81 6 -1 5 806.84 24.14 6 1 6 617.67 22.38 6 -1 6 575.47 20.88 6 1 7 444.13 19.00 6 -1 7 394.06 17.53 6 1 8 46.44 6.37 6 -1 8 55.83 6.80 6 1 9 63.81 7.39 6 -1 9 65.28 7.52 6 -1 10 6.57 2.35 6 1 10 9.41 3.14 6 1 11 114.90 10.37 6 -1 11 126.77 10.51 6 1 12 101.87 9.94 6 -1 12 94.44 9.20 6 1 13 43.80 6.79 6 -1 13 45.89 6.82 6 1 14 373.31 20.08 6 -1 14 373.86 19.23 6 1 15 156.34 13.52 6 -1 15 157.18 12.78 6 1 16 38.87 7.51 6 -1 16 34.17 6.30 6 1 17 25.65 5.94 6 -1 17 28.06 5.82 6 -1 18 19.95 5.16 6 1 18 12.02 4.11 6 1 19 53.27 8.77 6 -1 19 50.77 8.07 6 1 20 136.04 14.07 6 -1 20 143.57 14.24 6 1 21 34.93 7.44 6 -1 21 51.26 7.89 6 1 22 18.75 5.61 6 1 23 42.81 8.14 6 -2 -17 1.19 2.26 6 -2 -16 257.78 16.57 6 -2 -15 192.85 14.08 6 -2 -14 647.86 25.41 6 -2 -13 58.76 7.51 6 -2 -12 102.21 9.58 6 2 -11 62.59 4.70 6 -2 -11 98.80 9.15 6 2 -10 70.52 5.33 6 -2 -10 66.26 7.67 6 -2 -9 6.89 2.74 6 2 -9 6.64 1.81 6 -2 -8 18.69 4.12 6 2 -8 20.15 3.04 6 -2 -7 16.74 3.87 6 2 -7 16.78 2.83 6 -2 -6 243.77 14.11 6 2 -6 289.55 12.07 6 -2 -5 93.56 8.70 6 2 -5 103.36 7.47 6 -2 -4 8.11 2.49 6 2 -4 6.31 1.68 6 -2 -3 49.45 6.52 6 2 -3 64.45 6.13 6 -2 -2 496.49 19.81 6 2 -2 465.01 17.89 6 2 -1 89.80 7.64 6 -2 -1 82.09 8.11 6 -2 0 1.40 1.08 6 2 0 0.65 1.21 6 -2 1 100.89 8.68 6 2 1 69.03 7.01 6 -2 2 458.71 18.98 6 2 2 466.36 18.08 6 2 3 57.03 6.68 6 2 4 6.37 2.72 6 -2 4 4.44 2.24 6 -2 5 80.40 8.22 6 2 5 86.74 8.53 6 -2 6 286.06 15.25 6 2 6 256.58 14.81 6 -2 7 21.82 4.40 6 2 7 14.58 3.92 6 -2 8 21.81 4.55 6 2 8 27.58 4.98 6 2 9 5.13 2.99 6 -2 9 9.61 2.95 6 2 10 77.82 8.73 6 -2 10 68.86 7.79 6 -2 11 81.77 8.80 6 2 11 97.02 9.94 6 2 12 92.75 10.17 6 -2 12 104.30 9.87 6 2 13 40.23 6.31 6 -2 13 39.59 6.07 6 2 14 643.72 27.32 6 -2 14 614.61 25.10 6 2 15 199.34 15.21 6 -2 15 184.36 14.04 6 2 16 258.72 17.84 6 -2 16 267.30 17.39 6 2 17 3.36 1.52 6 -2 17 -0.10 1.34 6 -2 18 39.31 6.67 6 2 18 28.10 5.95 6 -2 19 4.07 2.28 6 2 19 4.08 1.92 6 2 20 42.15 8.34 6 -2 20 36.48 6.60 6 2 21 5.90 4.01 6 2 22 13.90 4.81 6 2 23 0.75 2.22 6 2 24 73.06 11.54 6 -3 -18 79.67 10.56 6 -3 -17 190.42 15.03 6 -3 -16 62.63 8.80 6 -3 -15 47.66 7.52 6 -3 -14 279.20 18.06 6 -3 -13 56.13 7.89 6 -3 -12 100.39 10.50 -6 3 -11 182.64 9.97 6 -3 -11 190.43 14.04 6 3 -10 30.28 3.85 6 -3 -10 38.45 6.05 6 3 -9 66.16 5.69 6 -3 -9 79.51 8.77 6 -3 -8 82.93 9.18 6 3 -8 99.63 7.03 6 3 -7 420.02 15.29 6 -3 -7 408.98 19.88 6 3 -6 406.72 15.80 6 -3 -6 384.42 18.89 6 3 -5 541.30 18.16 6 -3 -5 506.89 21.58 6 -3 -4 347.63 17.64 6 3 -4 344.84 15.20 6 -3 -3 810.10 27.12 6 3 -3 873.49 24.18 6 -3 -2 132.46 11.02 6 3 -2 129.58 9.50 6 -3 -1 110.97 9.73 6 3 -1 98.60 8.44 6 -3 0 69.27 8.00 6 -3 1 94.79 8.89 6 3 1 98.44 8.65 6 -3 2 107.27 9.72 6 3 2 93.91 8.77 6 -3 3 864.89 27.66 6 3 3 854.58 26.58 6 -3 4 364.24 17.82 6 3 4 363.08 17.83 6 -3 5 532.10 21.64 6 3 5 537.67 22.10 6 -3 6 459.32 20.26 6 3 6 376.12 18.71 6 -3 7 389.77 18.96 6 3 7 426.22 20.14 6 -3 8 83.17 9.00 6 3 8 95.78 9.80 6 -3 9 74.17 8.34 6 3 9 73.87 8.57 6 -3 10 23.46 4.71 6 3 10 24.84 5.05 6 -3 11 185.06 13.57 6 3 11 188.87 14.74 6 -3 12 100.93 10.18 6 3 12 98.36 10.47 6 -3 13 65.20 8.20 6 3 13 87.36 9.85 6 -3 14 196.40 14.37 6 3 14 249.11 17.43 6 -3 15 41.63 6.95 6 3 15 45.47 7.59 6 3 16 65.92 9.81 6 -3 16 71.09 8.86 6 -3 17 177.00 14.06 6 3 17 190.79 16.18 6 3 18 89.87 11.05 6 -3 18 78.58 9.79 6 3 19 145.78 14.77 6 3 20 47.95 9.15 6 3 21 10.41 4.08 6 3 22 2.94 3.65 6 3 23 10.18 4.65 6 3 24 6.17 3.73 6 3 25 60.28 10.99 6 -4 -20 11.55 4.65 6 -4 -19 -3.53 3.76 6 -4 -18 227.48 18.47 6 -4 -17 89.55 11.29 6 -4 -16 60.77 9.26 6 -4 -15 54.93 8.64 6 -4 -14 9.64 3.85 6 -4 -13 120.27 12.38 6 -4 -12 471.78 24.10 6 -4 -11 159.53 13.84 -6 4 -11 184.03 12.07 6 -4 -10 54.64 8.28 -6 4 -10 39.97 6.02 6 4 -9 146.52 9.28 -6 4 -9 151.58 10.80 6 -4 -9 127.18 12.08 6 4 -8 555.15 18.90 6 -4 -8 589.35 25.40 6 4 -7 47.36 5.43 6 -4 -7 35.12 6.41 6 4 -6 93.58 7.97 6 -4 -6 92.94 10.31 6 -4 -5 603.16 25.12 6 4 -5 674.54 22.11 6 -4 -4 4.12 2.92 6 4 -4 2.32 1.32 6 4 -3 245.81 14.07 6 -4 -3 223.37 15.12 6 4 -2 127.52 10.19 6 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5.02 7 3 17 34.07 7.20 7 -3 17 31.89 6.13 7 -3 18 650.73 29.24 7 3 18 654.65 30.59 7 3 19 29.80 6.68 7 -3 19 29.81 6.91 7 3 20 311.98 21.77 7 3 21 5.56 4.46 7 3 22 4.24 3.24 7 3 23 11.81 5.33 7 3 24 160.25 16.44 7 3 25 9.89 5.68 7 3 26 44.62 10.54 7 -4 -19 227.34 19.05 7 -4 -18 102.26 12.78 7 -4 -17 27.77 6.89 7 -4 -16 20.51 5.87 7 -4 -15 61.36 9.86 7 -4 -14 151.17 14.71 7 -4 -13 124.31 12.71 7 -4 -12 33.75 6.62 7 -4 -11 268.89 18.02 7 -4 -10 37.15 6.86 7 -4 -9 4.02 3.07 7 4 -8 93.07 7.78 7 -4 -8 62.90 9.05 7 4 -7 688.55 22.80 7 -4 -7 614.30 26.96 7 4 -6 72.98 7.58 7 -4 -6 79.97 9.62 7 4 -5 8.65 2.67 7 -4 -5 10.37 3.46 7 4 -4 13.47 3.71 7 -4 -4 12.40 4.38 7 -4 -3 93.46 10.05 7 4 -3 112.99 9.93 7 -4 -2 7.10 2.50 7 4 -2 12.77 3.43 7 -4 -1 12.30 4.24 7 4 -1 8.28 2.82 7 -4 0 -0.34 1.27 7 4 0 0.90 1.46 7 -4 1 7.09 2.87 7 4 1 9.05 3.01 7 -4 2 14.28 4.18 7 4 2 8.04 3.10 7 -4 3 105.03 10.88 7 4 3 96.77 10.09 7 -4 4 14.11 3.99 7 4 4 10.49 3.62 7 -4 5 9.41 3.82 7 4 5 6.73 2.89 7 -4 6 58.38 7.88 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22.11 4.39 8 -3 0 5.32 2.77 8 3 0 7.90 2.59 8 -3 1 22.10 4.47 8 3 1 15.65 3.88 8 -3 2 57.93 7.91 8 3 2 52.37 7.01 8 -3 3 42.57 6.76 8 3 3 53.67 7.43 8 3 4 1.31 1.48 8 -3 4 1.66 1.73 8 3 5 12.66 3.82 8 -3 5 10.18 3.35 8 -3 6 37.13 6.33 8 3 6 32.19 6.01 8 -3 7 121.95 11.40 8 3 7 104.95 10.79 8 -3 8 63.86 8.40 8 3 8 64.14 8.65 8 -3 9 61.45 8.01 8 3 9 63.33 8.43 8 -3 10 65.29 8.85 8 3 10 59.33 8.07 8 -3 11 69.43 9.38 8 3 11 37.94 6.99 8 3 12 6.47 3.22 8 -3 12 2.54 1.81 8 -3 13 54.26 8.21 8 3 13 63.29 9.30 8 -3 14 55.56 8.79 8 3 14 65.68 9.34 8 -3 15 89.54 10.95 8 3 15 70.77 10.05 8 3 16 146.62 14.10 8 -3 16 139.08 13.57 8 3 17 164.01 15.97 8 -3 17 149.02 14.13 8 -3 18 13.69 4.98 8 3 18 21.92 6.14 8 -3 19 11.76 4.53 8 3 19 15.71 5.29 8 3 20 0.93 3.17 8 3 21 3.54 3.01 8 3 22 3.59 3.76 8 3 23 2.37 2.11 8 3 24 3.67 4.01 8 3 25 4.89 3.59 8 3 26 1.56 5.42 8 -4 -18 42.65 8.16 8 -4 -17 13.31 5.34 8 -4 -16 135.20 14.19 8 -4 -15 224.48 18.07 8 -4 -14 56.53 9.27 8 -4 -13 72.47 9.70 8 -4 -12 45.92 8.04 8 -4 -11 149.84 14.16 8 -4 -10 43.05 7.41 8 -4 -9 40.16 6.93 8 -4 -8 10.36 3.94 8 4 -8 13.49 3.01 8 4 -7 134.11 10.68 8 -4 -7 121.85 12.46 8 -4 -6 16.12 5.04 8 4 -6 24.96 5.10 8 4 -5 412.46 19.40 8 -4 -5 453.18 23.30 8 -4 -4 238.05 16.71 8 4 -4 260.52 15.59 8 -4 -3 61.31 8.47 8 4 -3 61.32 7.67 8 -4 -2 409.35 21.84 8 4 -2 402.59 19.74 8 -4 -1 707.10 28.70 8 4 -1 686.76 25.93 8 -4 0 78.69 9.41 8 4 0 78.69 8.98 8 -4 1 701.87 28.55 8 4 1 695.74 26.64 8 -4 2 422.74 22.09 8 4 2 406.22 20.86 8 -4 3 65.22 8.81 8 4 3 60.48 8.13 8 -4 4 241.20 17.00 8 4 4 273.31 17.52 8 -4 5 462.83 23.33 8 4 5 413.18 21.50 8 -4 6 36.54 6.93 8 4 6 26.11 5.77 8 -4 7 105.27 11.43 8 4 7 165.36 13.97 8 4 8 17.73 5.39 8 -4 8 16.78 4.89 8 -4 9 35.58 6.76 8 4 9 38.95 6.84 8 -4 10 32.53 6.09 8 4 10 50.15 7.82 8 -4 11 120.94 12.43 8 4 11 149.60 14.22 8 -4 12 47.92 8.02 8 4 12 49.53 8.13 8 -4 13 61.79 9.27 8 4 13 66.67 9.79 8 -4 14 61.75 9.49 8 4 14 64.36 9.45 8 -4 15 230.35 18.15 8 4 15 201.91 17.33 8 -4 16 145.37 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24 59.26 10.78 10 -1 -14 9.97 6.33 10 -1 -13 43.56 6.96 10 -1 -12 31.10 6.19 10 -1 -11 3.45 2.16 10 1 -11 3.00 2.28 10 -1 -10 6.03 3.04 10 1 -10 9.51 3.79 10 -1 -9 14.38 4.74 10 1 -9 6.61 3.11 10 -1 -8 3.29 2.03 10 1 -8 2.02 1.84 10 -1 -7 48.38 7.11 10 1 -7 46.71 7.01 10 -1 -6 31.13 6.39 10 1 -6 29.18 5.48 10 -1 -5 2.52 2.16 10 1 -5 0.02 1.40 10 -1 -4 4.92 3.20 10 1 -4 2.35 1.49 10 -1 -3 8.87 3.38 10 1 -3 5.99 2.70 10 1 -2 13.59 3.81 10 -1 -2 11.44 3.90 10 -1 -1 34.30 6.57 10 1 -1 42.21 6.47 10 -1 0 25.28 5.54 10 1 0 26.92 5.43 10 -1 1 29.80 5.57 10 1 1 33.51 5.82 10 1 2 8.69 3.74 10 -1 2 11.38 3.12 10 1 3 3.14 1.70 10 -1 3 6.79 3.17 10 1 4 1.65 1.06 10 -1 4 4.89 1.53 10 1 5 0.36 1.49 10 -1 5 0.79 2.15 10 1 6 24.36 5.57 10 -1 6 26.83 5.84 10 -1 7 39.25 7.07 10 1 7 36.84 6.75 10 1 8 2.23 2.31 10 -1 8 2.21 1.72 10 1 9 17.49 5.57 10 -1 9 14.79 3.59 10 1 10 7.18 3.10 10 -1 10 5.67 2.62 10 -1 11 0.09 1.68 10 1 11 1.32 2.92 10 1 12 32.46 6.84 10 -1 12 36.25 6.94 10 1 13 34.19 7.01 10 -1 13 46.92 8.36 10 -1 14 3.30 3.03 10 1 14 -0.77 2.26 10 -1 15 24.21 5.67 10 1 15 10.37 4.31 10 -1 16 14.33 5.16 10 1 16 14.97 4.90 10 -1 17 9.75 3.97 10 1 17 11.22 5.27 10 -1 18 2.75 1.82 10 1 18 13.62 4.49 10 1 19 5.47 3.69 10 -1 19 10.56 4.89 10 1 20 10.65 4.46 10 -1 20 11.60 4.30 10 1 21 7.79 4.52 10 -1 21 16.11 6.45 10 1 22 6.70 3.25 10 -1 22 2.99 2.60 10 1 23 5.47 2.87 10 -1 23 -0.35 3.04 10 1 24 3.96 4.36 10 1 25 6.73 6.24 10 -2 -15 171.12 15.38 10 -2 -14 132.18 13.20 10 -2 -13 77.37 10.69 10 -2 -12 230.39 17.40 10 -2 -11 476.79 24.39 10 -2 -10 122.56 12.28 10 2 -10 116.57 10.69 10 -2 -9 219.83 16.43 10 2 -9 230.62 14.89 10 -2 -8 259.66 17.58 10 2 -8 233.41 14.60 10 2 -7 92.12 9.13 10 -2 -7 84.41 10.13 10 -2 -6 85.08 9.94 10 2 -6 98.91 9.84 10 -2 -5 267.09 17.69 10 2 -5 315.80 17.80 10 -2 -4 155.96 13.44 10 2 -4 175.89 13.28 10 -2 -3 252.69 17.30 10 2 -3 272.90 16.46 10 -2 -2 478.37 23.25 10 2 -2 479.25 22.05 10 -2 -1 376.69 20.74 10 2 -1 336.98 18.52 10 -2 0 56.53 8.09 10 2 0 49.79 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2.45 2.03 10 -3 -14 2.27 2.26 10 -3 -13 13.51 4.54 10 -3 -12 8.63 4.31 10 -3 -11 0.52 2.45 10 -3 -10 23.98 6.00 10 -3 -9 16.22 4.58 10 3 -9 -3.47 1.85 10 3 -8 0.38 2.11 10 -3 -8 -0.07 1.41 10 -3 -7 27.49 5.92 10 3 -7 34.42 5.79 10 3 -6 10.14 3.46 10 -3 -6 19.68 5.63 10 3 -5 1.93 1.11 10 -3 -5 5.30 3.76 10 -3 -4 35.01 7.24 10 3 -4 24.02 4.80 10 -3 -3 1.95 2.41 10 3 -3 0.38 1.86 10 -3 -2 10.52 3.82 10 3 -2 11.21 4.28 10 -3 -1 22.71 5.43 10 3 -1 27.07 5.36 10 -3 0 7.94 3.23 10 3 0 16.11 4.55 10 -3 1 16.09 4.86 10 3 1 20.71 4.67 10 -3 2 8.68 3.14 10 3 2 8.76 3.47 10 -3 3 3.83 3.89 10 3 3 2.21 2.33 10 -3 4 24.27 5.90 10 3 4 17.89 5.43 10 -3 5 2.82 3.12 10 3 5 0.17 2.52 10 -3 6 11.28 4.67 10 3 6 16.14 4.91 10 3 7 30.04 6.70 10 -3 7 39.77 7.53 10 -3 8 0.54 2.18 10 3 8 3.35 2.82 10 -3 9 11.91 4.18 10 3 9 5.12 3.14 10 -3 10 29.73 6.56 10 3 10 28.70 6.49 10 -3 11 1.46 2.31 10 3 11 0.66 3.09 10 -3 12 11.40 5.12 10 3 12 7.32 3.78 10 -3 13 21.52 4.17 10 3 13 16.77 4.05 10 -3 14 1.67 2.26 10 3 14 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40.52 8.20 12 1 9 39.24 7.80 12 1 10 40.58 7.52 12 -1 10 49.72 8.50 12 -1 11 56.30 9.42 12 1 11 51.34 8.73 12 1 12 10.93 4.58 12 -1 12 10.32 4.80 12 1 13 9.19 5.08 12 -1 13 9.43 4.25 12 1 14 15.32 4.21 12 -1 14 13.39 5.56 12 1 15 3.55 3.44 12 -1 15 6.79 3.43 12 1 16 14.97 5.23 12 -1 16 13.86 6.10 12 1 17 20.48 6.84 12 -1 17 30.62 8.23 12 1 18 -0.72 2.65 12 -1 18 1.39 2.69 12 1 19 5.92 4.18 12 -1 19 6.47 5.01 12 1 20 2.29 2.44 12 -1 20 13.13 4.66 12 1 21 6.10 3.49 12 -1 21 5.52 6.01 12 1 22 16.45 6.84 12 -1 22 11.51 5.67 12 1 23 11.21 5.03 12 -1 23 0.39 2.98 12 1 24 2.15 5.05 12 1 25 1.73 4.77 12 -2 -14 90.52 11.92 12 -2 -13 176.43 16.04 12 -2 -12 156.80 15.29 12 -2 -11 68.78 9.97 12 -2 -10 88.64 11.30 12 -2 -9 117.26 13.15 12 2 -9 130.97 12.96 12 -2 -8 238.39 18.48 12 2 -8 242.16 17.39 12 -2 -7 82.58 10.63 12 2 -7 97.27 10.82 12 -2 -6 62.74 9.27 12 2 -6 67.72 9.03 12 -2 -5 174.20 15.60 12 2 -5 169.06 14.02 12 -2 -4 310.83 20.47 12 2 -4 316.33 19.56 12 -2 -3 38.02 7.66 12 2 -3 45.34 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13.31 12 3 13 4.87 4.54 12 -3 13 1.36 2.06 12 3 14 13.65 5.80 12 -3 14 15.56 6.22 12 3 15 -1.11 2.33 12 -3 15 2.47 1.86 12 3 16 4.92 2.88 12 -3 16 3.07 3.50 12 3 17 11.35 4.85 12 -3 17 5.42 2.86 12 3 18 30.84 7.24 12 -3 18 32.08 7.27 12 3 19 0.46 2.55 12 -3 19 2.55 2.36 12 3 20 11.16 5.56 12 -3 20 11.44 4.46 12 3 21 10.23 6.02 12 -3 21 9.87 5.07 12 3 22 22.04 7.29 12 3 23 9.65 2.44 12 3 24 5.45 4.76 12 -4 -16 13.48 5.58 12 -4 -15 19.44 5.69 12 -4 -14 45.94 8.73 12 -4 -13 45.12 8.94 12 -4 -12 -0.75 2.60 12 -4 -11 4.50 2.07 12 -4 -10 32.58 7.50 12 -4 -9 87.17 11.82 12 -4 -8 261.98 20.18 12 -4 -7 264.51 20.08 12 -4 -6 70.87 10.51 12 4 -6 87.91 10.78 12 -4 -5 177.80 16.24 12 4 -5 212.67 16.54 12 -4 -4 453.16 26.08 12 4 -4 512.95 26.18 12 -4 -3 296.08 21.27 12 4 -3 305.34 20.24 12 -4 -2 444.52 25.65 12 4 -2 383.33 22.87 12 4 -1 159.96 14.49 12 -4 -1 162.98 15.55 12 -4 0 24.35 7.03 12 4 0 22.30 5.92 12 4 1 168.65 15.28 12 -4 1 154.13 15.23 12 4 2 380.34 23.14 12 -4 2 401.42 24.39 12 4 3 278.19 19.74 12 -4 3 296.74 21.23 12 4 4 486.23 26.60 12 -4 4 505.83 27.51 12 4 5 210.61 17.39 12 -4 5 178.65 16.41 12 4 6 84.59 10.83 12 -4 6 58.31 9.83 12 4 7 274.77 20.28 12 -4 7 275.90 20.75 12 4 8 249.42 19.37 12 -4 8 278.73 20.51 12 4 9 87.71 11.90 12 -4 9 98.25 12.17 12 4 10 40.96 8.12 12 -4 10 35.87 7.66 12 -4 11 8.28 3.83 12 4 11 12.19 4.33 12 -4 12 2.35 2.46 12 4 12 7.45 4.40 12 4 13 54.18 9.63 12 -4 13 28.31 6.46 12 -4 14 44.00 8.92 12 4 14 41.87 8.67 12 -4 15 29.01 8.02 12 4 15 18.88 5.29 12 -4 16 14.58 6.27 12 4 16 22.11 7.10 12 -4 17 12.63 6.62 12 4 17 16.46 5.42 12 -4 18 24.06 6.62 12 4 18 26.84 6.29 12 -4 19 3.05 3.37 12 4 19 5.41 3.79 12 -4 20 13.24 5.67 12 4 20 19.44 6.31 12 4 21 18.31 6.49 12 4 22 68.56 11.80 12 4 23 52.22 10.42 12 -5 -17 14.24 6.21 12 -5 -16 -4.13 2.66 12 -5 -15 1.75 2.97 12 -5 -14 2.84 3.15 12 -5 -13 6.09 4.16 12 -5 -12 10.23 5.40 12 -5 -11 14.93 5.27 12 -5 -10 53.79 9.46 12 -5 -9 13.46 5.45 12 -5 -8 3.21 3.40 12 -5 -7 9.92 4.88 12 -5 -6 7.08 4.20 12 -5 -5 3.07 1.52 12 5 -5 0.07 1.78 12 -5 -4 4.40 4.75 12 5 -4 8.32 2.52 12 -5 -3 22.82 6.61 12 5 -3 21.97 6.05 12 -5 -2 63.82 10.25 12 5 -2 72.34 10.66 12 -5 -1 41.34 8.20 12 5 -1 56.48 9.30 12 -5 0 11.36 4.52 12 5 0 13.75 4.45 12 -5 1 34.25 7.20 12 5 1 36.82 7.26 12 -5 2 67.88 10.43 12 -5 3 29.48 7.40 12 5 3 27.58 6.75 12 -5 4 0.39 2.35 12 5 4 6.51 3.59 12 -5 5 0.75 2.92 12 5 5 -0.43 1.91 12 -5 6 1.60 2.10 12 5 6 0.57 2.98 12 -5 7 9.65 3.60 12 5 7 9.69 4.06 12 -5 8 9.62 5.08 12 5 8 7.31 3.89 12 -5 9 18.74 6.18 12 5 9 17.84 5.70 12 5 10 54.19 9.39 12 -5 10 47.15 9.04 12 -5 11 9.10 4.33 12 5 11 9.89 4.24 12 -5 12 14.82 5.60 12 5 12 13.54 5.18 12 -5 13 18.31 6.27 12 5 13 27.73 7.21 12 -5 14 4.34 4.91 12 5 14 3.58 2.99 12 -5 15 4.86 4.04 12 5 15 3.86 2.81 12 -5 16 0.65 3.85 12 5 16 0.32 1.96 12 -5 17 12.44 5.19 12 5 17 10.17 5.35 12 -5 18 10.41 5.24 12 5 18 15.86 6.38 12 5 19 10.56 3.75 12 5 20 2.16 4.52 12 5 21 2.17 4.33 12 -6 -18 4.44 4.68 12 -6 -17 23.63 8.36 12 -6 -16 41.30 9.12 12 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13 0 3 -0.51 2.84 13 0 4 0.69 2.27 13 0 5 -0.13 1.92 13 0 6 1.43 3.17 13 0 7 -0.94 1.72 13 0 8 -1.60 3.27 13 0 9 1.63 2.69 13 0 10 2.56 1.95 13 0 11 -1.06 3.60 13 0 12 1.26 3.57 13 0 13 1.08 3.25 13 0 14 1.39 2.25 13 0 15 0.69 2.84 13 0 16 -1.02 3.02 13 0 17 -0.70 2.91 13 0 18 0.57 2.20 13 0 19 -1.48 3.11 13 0 20 -1.36 4.11 13 0 21 -0.75 3.46 13 0 22 -1.77 2.55 13 0 23 1.19 2.58 13 0 24 -1.75 3.57 13 -1 -12 72.37 10.57 13 -1 -11 10.86 4.85 13 -1 -10 166.08 15.72 13 1 -10 153.70 14.78 13 -1 -9 161.91 15.65 13 1 -9 163.72 14.86 13 -1 -8 18.65 5.65 13 1 -8 15.70 4.65 13 -1 -7 44.75 8.17 13 1 -7 49.98 8.45 13 -1 -6 64.39 9.44 13 1 -6 68.89 9.59 13 -1 -5 413.72 24.09 13 1 -5 374.52 22.63 13 -1 -4 53.93 8.63 13 1 -4 48.92 8.29 13 -1 -3 120.58 13.19 13 1 -3 103.50 11.88 13 -1 -2 158.99 15.30 13 1 -2 180.35 15.14 13 -1 -1 128.24 13.05 13 1 -1 110.41 12.18 13 -1 0 1336.66 43.22 13 1 0 1437.55 43.26 13 -1 1 126.60 13.01 13 1 1 132.66 12.89 13 -1 2 197.32 16.57 13 1 2 153.51 14.21 13 -1 3 100.32 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13 2 -7 46.63 7.87 13 -2 -6 5.43 3.06 13 2 -6 10.48 3.80 13 -2 -5 2.12 3.31 13 2 -5 -1.34 1.35 13 -2 -4 17.24 5.20 13 2 -4 25.25 6.12 13 -2 -3 96.34 11.99 13 2 -3 88.45 10.93 13 -2 -2 40.16 8.16 13 2 -2 53.31 7.98 13 -2 -1 64.13 9.90 13 2 -1 55.19 8.18 13 -2 0 635.21 30.52 13 2 0 676.22 30.09 13 -2 1 60.73 9.71 13 2 1 47.25 7.82 13 -2 2 37.35 7.49 13 2 2 38.86 7.67 13 -2 3 99.70 12.05 13 2 3 101.82 12.01 13 2 4 17.41 5.21 13 -2 4 19.05 5.80 13 2 5 -0.40 1.95 13 -2 5 0.17 3.43 13 2 6 6.86 3.14 13 -2 6 5.09 3.50 13 -2 7 39.09 7.82 13 2 7 40.68 8.01 13 -2 8 71.29 10.60 13 2 8 68.48 10.06 13 2 9 10.03 4.10 13 -2 9 16.41 5.10 13 2 10 19.60 5.60 13 -2 10 15.11 5.56 13 -2 11 192.09 17.52 13 2 11 201.93 17.92 13 -2 12 55.74 9.47 13 2 12 55.03 9.37 13 2 13 11.51 4.98 13 -2 13 8.94 5.07 13 2 14 3.18 2.94 13 -2 14 4.11 2.63 13 2 15 3.23 2.60 13 -2 15 9.15 3.96 13 2 16 -0.78 2.81 13 -2 16 11.66 4.02 13 -2 17 69.04 11.20 13 2 17 53.56 10.37 13 2 18 4.12 2.29 13 -2 18 4.99 3.63 13 2 19 1.70 2.93 13 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-3 10 355.01 23.46 13 3 11 26.37 6.64 13 -3 11 15.77 5.44 13 3 12 186.30 17.23 13 -3 12 215.87 18.49 13 3 13 56.84 9.45 13 -3 13 54.98 9.91 13 3 14 161.26 16.47 13 -3 14 136.24 15.58 13 3 15 42.41 8.68 13 -3 15 38.15 8.11 13 3 16 260.65 21.13 13 -3 16 257.91 20.96 13 3 17 12.62 4.33 13 -3 17 26.28 6.83 13 3 18 23.28 6.90 13 -3 18 17.92 6.46 13 3 19 9.98 2.52 13 -3 19 8.58 6.20 13 3 20 33.86 8.09 13 -3 20 31.71 8.07 13 3 21 24.16 6.63 13 -3 21 22.64 9.02 13 3 22 59.53 11.31 13 -4 -16 7.22 5.96 13 -4 -15 16.76 4.90 13 -4 -14 10.62 6.14 13 -4 -13 0.66 3.23 13 -4 -12 18.26 5.34 13 -4 -11 3.64 3.04 13 -4 -10 9.12 4.31 13 -4 -9 211.67 18.54 13 -4 -8 7.05 4.06 13 -4 -7 13.69 4.25 13 -4 -6 108.88 13.24 13 4 -6 113.07 12.38 13 4 -5 5.40 2.27 13 -4 -5 8.71 4.15 13 4 -4 32.24 6.54 13 -4 -4 25.70 6.86 13 4 -3 8.73 3.44 13 -4 -3 13.13 5.17 13 -4 -2 167.83 16.41 13 4 -2 182.76 16.08 13 -4 -1 97.02 12.56 13 4 -1 91.11 11.90 13 -4 0 3.12 3.13 13 4 0 1.26 3.53 13 4 1 111.25 12.54 13 -4 1 114.92 13.58 13 4 2 166.33 15.53 13 -4 2 169.30 16.20 13 -4 3 14.66 4.12 13 4 3 11.69 4.37 13 -4 4 42.06 8.70 13 4 4 31.32 6.89 13 -4 5 8.25 4.57 13 4 5 -1.05 2.47 13 4 6 145.47 14.86 13 -4 6 124.70 14.08 13 -4 7 14.31 6.34 13 4 7 15.97 5.62 13 -4 8 1.78 3.82 13 4 8 4.98 4.64 13 4 9 231.36 19.22 13 -4 9 211.85 18.61 13 -4 10 6.99 2.56 13 4 10 6.10 3.66 13 -4 11 -1.30 3.06 13 4 11 -1.58 1.63 13 -4 12 16.18 5.20 13 4 12 11.89 5.46 13 -4 13 0.04 2.34 13 4 13 -1.43 3.43 13 -4 14 1.56 3.16 13 4 14 15.79 5.81 13 -4 15 32.88 7.64 13 4 15 16.58 5.19 13 -4 16 3.51 3.04 13 4 16 3.17 4.34 13 -4 17 33.90 8.00 13 4 17 23.31 6.90 13 -4 18 2.96 3.03 13 4 18 -3.44 4.36 13 -4 19 22.19 6.83 13 4 19 24.61 7.43 13 4 20 4.39 5.62 13 -4 20 2.69 4.31 13 4 21 20.18 7.34 13 -5 -17 7.69 4.03 13 -5 -16 26.67 7.41 13 -5 -15 12.77 5.78 13 -5 -14 20.11 6.09 13 -5 -13 10.74 4.57 13 -5 -12 29.35 6.93 13 -5 -11 103.90 13.59 13 -5 -10 42.84 8.49 13 -5 -9 3.71 1.88 13 -5 -8 11.94 4.79 13 -5 -7 59.79 10.59 13 -5 -6 112.39 13.61 13 -5 -5 30.18 7.43 13 -5 -4 100.00 13.26 13 5 -4 101.85 12.34 13 -5 -3 104.23 12.96 13 5 -3 78.32 10.29 13 5 -2 254.62 19.79 13 -5 -2 211.00 18.70 13 5 -1 166.71 16.18 13 -5 -1 182.34 17.34 13 -5 0 17.31 5.41 13 5 0 11.83 4.41 13 -5 1 151.00 15.99 13 5 1 183.28 16.73 13 -5 2 219.52 19.17 13 5 2 212.14 18.34 13 -5 3 66.04 11.19 13 5 3 84.47 11.22 13 -5 4 92.87 12.80 13 5 4 99.89 12.46 13 -5 5 24.70 6.73 13 5 5 36.07 7.75 13 -5 6 115.63 13.73 13 5 6 87.74 11.91 13 -5 7 64.49 10.84 13 5 7 56.00 9.53 13 -5 8 12.51 5.86 13 5 8 16.19 5.11 13 -5 9 4.51 2.22 13 5 9 7.69 4.71 13 5 10 47.65 9.41 13 -5 10 29.25 7.58 13 -5 11 102.90 13.26 13 5 11 57.37 10.41 13 -5 12 35.63 8.63 13 5 12 35.61 7.60 13 -5 13 3.76 2.90 13 5 13 10.26 4.02 13 -5 14 29.31 7.70 13 5 14 40.97 8.66 13 -5 15 0.33 2.52 13 5 15 26.74 7.78 13 -5 16 23.31 7.13 13 5 16 47.99 9.54 13 -5 17 41.96 9.61 13 5 17 26.98 6.26 13 -5 18 5.19 3.14 13 5 18 13.20 5.93 13 -5 19 9.14 5.74 13 5 19 14.96 6.76 13 5 20 18.43 7.47 13 -6 -17 0.38 2.44 13 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4.80 13 6 17 7.55 6.00 13 6 18 2.37 4.59 13 -7 -15 10.52 5.54 13 -7 -14 18.89 5.96 13 -7 -13 2.89 3.50 13 -7 -12 8.83 4.95 13 -7 -11 21.71 6.45 13 -7 -10 87.53 13.54 13 -7 -9 24.77 6.84 13 -7 -8 10.24 5.26 13 -7 -7 22.43 7.50 13 -7 -6 79.02 12.44 13 -7 -5 18.37 6.40 13 -7 -4 43.90 9.19 13 -7 -3 29.06 7.32 13 -7 -2 29.66 7.71 13 7 -2 42.55 10.45 13 -7 -1 26.54 6.73 13 7 -1 17.75 6.01 13 -7 0 8.97 5.53 13 7 0 17.19 6.40 13 -7 1 22.51 5.81 13 7 1 27.36 6.97 13 7 2 42.34 8.58 13 -7 2 47.91 10.13 13 -7 3 19.35 5.51 13 7 3 18.04 6.21 13 -7 4 50.93 9.43 13 7 4 56.28 9.95 13 -7 5 9.97 5.75 13 7 5 7.61 4.94 13 -7 6 94.42 13.50 13 7 6 56.59 9.73 13 -7 7 20.87 7.16 13 7 7 16.59 5.44 13 -7 8 16.35 5.77 13 7 8 11.24 5.09 13 -7 9 3.78 2.93 13 7 9 14.27 5.66 13 -7 10 77.82 12.52 13 7 10 102.77 13.87 13 -7 11 11.02 5.27 13 7 11 29.89 7.66 13 -7 12 15.15 5.79 13 7 12 16.23 6.21 13 -7 13 11.36 6.60 13 7 13 15.08 5.55 13 -7 14 18.39 7.64 13 7 14 19.57 5.85 13 -7 15 8.32 4.62 13 7 15 14.52 5.90 13 -8 -11 7.36 4.75 13 -8 -10 3.28 3.61 13 -8 -9 9.01 4.39 13 -8 -8 14.31 4.90 13 -8 -7 9.27 3.64 13 -8 -6 3.07 3.92 13 -8 -5 -1.19 4.27 -13 8 -5 16.77 6.79 13 -8 -4 5.08 4.56 -13 8 -4 -0.44 3.18 13 -8 -3 5.22 3.17 13 -8 -2 11.53 5.56 13 -8 -1 8.39 3.61 13 -8 0 2.79 4.51 13 8 0 4.38 2.57 13 -8 1 10.14 6.46 13 8 1 2.50 4.66 13 -8 2 2.77 4.25 13 8 2 3.67 3.56 13 -8 3 8.81 4.41 13 8 3 4.49 3.21 13 -8 4 1.50 2.65 13 8 4 3.48 3.91 13 -8 5 5.10 4.55 13 8 5 0.52 1.78 13 -8 6 8.82 5.45 13 8 6 5.50 5.03 13 -8 7 4.73 3.46 13 8 7 6.17 5.13 13 -8 8 11.67 6.64 13 8 8 5.45 3.78 13 -8 9 12.21 5.48 13 8 9 7.02 2.38 13 -8 10 4.82 5.44 13 8 10 -3.16 2.81 13 -8 11 16.28 5.92 13 8 11 10.00 4.80 13 -9 -3 10.91 4.69 -13 9 -3 11.05 7.98 13 -9 -2 3.05 4.62 -13 9 -2 -0.85 6.09 13 -9 -1 9.22 5.37 -13 9 -1 -0.59 3.53 13 -9 0 34.71 8.61 -13 9 0 23.35 6.71 13 -9 1 3.10 4.56 -13 9 1 1.94 2.60 13 -9 2 4.55 5.35 -13 9 2 10.24 6.51 13 9 2 3.20 2.71 13 -9 3 7.72 4.86 -13 9 3 6.67 4.54 13 9 3 8.44 5.50 14 0 -10 201.00 18.01 14 0 -9 22.53 5.90 14 0 -8 29.46 7.09 14 0 -7 238.12 19.48 14 0 -6 326.17 22.26 14 0 -5 178.05 16.13 14 0 -4 238.30 18.37 14 0 -3 113.90 12.84 14 0 -2 70.06 10.02 14 0 -1 130.89 13.68 14 0 0 226.91 18.04 14 0 1 120.08 13.28 14 0 2 69.77 10.35 14 0 3 104.08 12.71 14 0 4 248.96 19.09 14 0 5 142.80 14.30 14 0 6 323.19 22.03 14 0 7 217.09 18.09 14 0 8 36.85 8.09 14 0 9 16.18 4.46 14 0 10 167.13 16.24 14 0 11 15.92 5.21 14 0 12 184.45 17.02 14 0 13 112.13 13.86 14 0 14 41.75 7.82 14 0 15 26.93 7.43 14 0 16 93.48 12.80 14 0 17 2.96 2.11 14 0 18 2.07 2.57 14 0 19 11.72 5.99 14 0 20 26.17 7.39 14 0 21 87.55 12.99 14 0 22 20.10 4.96 14 -1 -11 0.73 2.14 14 -1 -10 1.44 3.95 14 -1 -9 27.55 6.49 14 1 -9 29.06 6.48 14 -1 -8 3.49 2.67 14 1 -8 5.79 4.31 14 -1 -7 47.58 8.73 14 1 -7 29.27 6.86 14 -1 -6 1.47 3.31 14 1 -6 2.27 2.76 14 -1 -5 0.17 2.05 14 1 -5 1.49 2.30 14 -1 -4 26.62 6.65 14 1 -4 14.19 3.92 14 -1 -3 15.18 4.72 14 1 -3 19.21 5.68 14 -1 -2 74.39 10.71 14 1 -2 55.61 9.44 14 -1 -1 69.99 9.92 14 1 -1 84.64 11.27 14 -1 0 76.94 10.78 14 1 0 71.58 10.26 14 -1 1 75.86 10.70 14 1 1 68.06 9.91 14 -1 2 75.05 10.61 14 1 2 65.00 9.75 14 1 3 14.72 4.52 14 -1 3 11.18 5.02 14 1 4 28.34 7.52 14 -1 4 24.49 6.20 14 1 5 -0.45 1.39 14 -1 5 1.21 2.77 14 1 6 6.09 3.57 14 -1 6 1.58 2.47 14 -1 7 60.04 9.94 14 1 7 44.20 8.63 14 1 8 0.62 1.83 14 -1 8 11.57 4.76 14 1 9 23.79 6.26 14 -1 9 34.01 8.05 14 1 10 11.20 5.04 14 -1 10 8.32 3.13 14 1 11 -1.70 2.31 14 -1 11 4.02 3.58 14 1 12 1.48 1.97 14 -1 12 1.30 3.37 14 1 13 0.48 2.16 14 -1 13 0.33 3.05 14 1 14 0.20 2.40 14 -1 14 2.86 3.57 14 1 15 18.05 6.16 14 -1 15 18.61 5.02 14 1 16 1.98 2.11 14 -1 16 9.67 4.72 14 1 17 -0.78 3.58 14 -1 17 -2.88 5.00 14 1 18 10.33 5.56 14 -1 18 4.99 4.20 14 1 19 7.67 3.52 14 -1 19 2.45 2.87 14 1 20 1.19 2.67 14 -1 20 0.58 3.83 14 1 21 1.25 3.75 14 -1 21 5.58 5.15 14 1 22 2.01 3.30 14 -1 22 -0.08 2.91 14 -2 -13 26.42 8.01 14 -2 -12 60.33 10.36 14 -2 -11 10.57 4.63 14 -2 -10 87.55 12.09 14 -2 -9 125.04 14.20 14 -2 -8 32.67 7.42 14 2 -8 36.29 7.68 14 -2 -7 26.25 6.38 14 2 -7 19.41 5.28 14 -2 -6 103.10 13.08 14 2 -6 110.42 12.55 14 -2 -5 100.11 12.74 14 2 -5 81.59 11.09 14 -2 -4 137.96 14.79 14 2 -4 117.87 12.94 14 -2 -3 32.64 6.90 14 2 -3 38.57 7.78 14 -2 -2 21.57 6.89 14 2 -2 12.86 3.69 14 2 -1 15.40 5.10 14 -2 -1 19.52 5.51 14 -2 0 288.42 21.06 14 2 0 289.34 20.68 14 2 1 18.03 4.94 14 -2 1 30.62 6.54 14 2 2 17.37 4.36 14 -2 2 19.60 5.42 14 2 3 21.04 5.96 14 -2 3 18.19 5.56 14 -2 4 156.97 15.36 14 2 4 117.96 13.28 14 -2 5 107.21 12.55 14 2 5 90.96 11.92 14 -2 6 69.02 10.63 14 2 6 82.07 11.60 14 2 7 26.00 6.41 14 -2 7 25.21 6.01 14 -2 8 33.17 7.22 14 2 8 43.50 8.91 14 -2 9 131.72 13.98 14 2 9 117.30 14.03 14 -2 10 85.38 12.06 14 2 10 59.83 10.37 14 2 11 13.34 3.79 14 -2 11 19.92 5.07 14 -2 12 73.67 10.95 14 2 12 69.07 10.27 14 2 13 16.46 4.48 14 -2 13 13.49 5.71 14 -2 14 73.33 11.84 14 2 14 64.09 10.70 14 2 15 11.02 5.14 14 -2 15 22.54 5.79 14 -2 16 79.02 12.07 14 2 16 94.20 13.09 14 2 17 18.75 6.73 14 -2 17 18.92 7.11 14 2 18 -0.43 2.16 14 -2 18 -0.02 3.15 14 2 19 6.05 5.11 14 -2 19 -2.98 3.98 14 2 20 46.18 9.84 14 -2 20 60.23 11.36 14 2 21 36.71 8.41 14 -2 21 26.94 9.62 14 2 22 27.01 7.21 14 -2 22 25.64 7.54 14 -3 -14 11.67 5.59 14 -3 -13 4.83 3.13 14 -3 -12 9.52 5.54 14 -3 -11 6.72 4.36 14 -3 -10 68.83 10.55 14 -3 -9 10.05 4.04 14 -3 -8 2.05 2.45 14 -3 -7 2.32 2.84 14 3 -7 8.74 4.61 14 -3 -6 13.71 4.67 14 3 -6 11.29 4.51 14 -3 -5 35.90 7.90 14 3 -5 18.92 5.00 14 3 -4 7.22 3.44 14 -3 -4 4.27 4.71 14 3 -3 24.98 6.01 14 -3 -3 22.86 5.81 14 -3 -2 207.01 18.45 14 3 -2 204.45 17.25 14 3 -1 30.99 6.86 14 -3 -1 31.29 6.82 14 -3 0 167.73 16.50 14 3 0 166.06 15.51 14 3 1 38.42 7.65 14 -3 1 37.66 8.05 14 -3 2 216.28 18.64 14 3 2 177.18 16.02 14 3 3 12.71 4.89 14 -3 3 11.49 4.20 14 3 4 0.57 1.64 14 -3 4 4.49 2.30 14 3 5 21.53 5.47 14 -3 5 30.65 8.01 14 3 6 10.27 5.03 14 -3 6 19.06 5.54 14 3 7 2.45 2.60 14 -3 7 3.59 3.18 14 3 8 -0.74 1.65 14 -3 8 -0.83 2.34 14 3 9 2.60 1.89 14 -3 9 9.42 4.44 14 -3 10 57.54 10.37 14 3 10 58.06 9.45 14 3 11 12.49 4.41 14 -3 11 0.65 3.29 14 3 12 8.75 4.26 14 -3 12 6.76 4.69 14 3 13 10.44 5.04 14 -3 13 6.86 3.51 14 3 14 4.20 1.84 14 -3 14 5.95 4.84 14 3 15 18.16 5.55 14 -3 15 5.00 2.68 14 3 16 14.87 6.04 14 -3 16 8.85 2.48 14 3 17 4.37 4.09 14 -3 17 6.04 3.96 14 3 18 3.88 2.00 14 -3 18 2.21 3.99 14 3 19 1.15 3.16 14 -3 19 4.65 3.37 14 3 20 10.86 4.47 14 -3 20 9.70 6.35 14 3 21 0.43 3.53 14 -3 21 5.18 3.39 14 -4 -15 18.06 6.72 14 -4 -14 58.45 10.51 14 -4 -13 14.30 6.04 14 -4 -12 42.77 9.48 14 -4 -11 69.64 11.56 14 -4 -10 47.75 9.11 14 -4 -9 106.53 13.93 14 -4 -8 46.53 9.70 14 -4 -7 5.59 3.82 14 -4 -6 85.33 12.18 14 4 -5 30.84 6.15 14 -4 -5 33.64 7.23 14 -4 -4 101.02 13.25 14 4 -4 77.26 10.67 14 -4 -3 63.64 10.87 14 4 -3 67.55 10.03 14 4 -2 10.38 3.63 14 -4 -2 18.17 6.53 14 -4 -1 37.87 8.09 14 4 -1 39.51 8.19 14 -4 0 643.41 32.31 14 4 0 601.15 30.38 14 4 1 33.95 7.64 14 -4 1 35.25 8.36 14 4 2 6.37 4.06 14 -4 2 8.08 2.76 14 -4 3 68.09 10.56 14 4 3 79.48 11.10 14 -4 4 82.81 11.70 14 4 4 87.77 12.09 14 4 5 32.55 7.34 14 -4 5 35.37 8.06 14 4 6 120.84 13.82 14 -4 6 103.24 13.21 14 4 7 9.13 3.76 14 -4 7 12.14 4.78 14 4 8 33.71 7.19 14 -4 8 29.26 7.16 14 4 9 93.33 12.98 14 -4 9 87.47 12.65 14 4 10 38.93 7.79 14 -4 10 50.41 9.55 14 4 11 103.53 13.44 14 -4 11 91.29 12.57 14 4 12 73.84 11.49 14 -4 12 69.80 11.15 14 4 13 18.88 5.94 14 -4 13 13.86 5.90 14 4 14 63.42 10.70 14 -4 14 53.77 10.19 14 4 15 42.88 8.98 14 -4 15 21.97 7.59 14 4 16 63.31 11.18 14 -4 16 48.27 9.70 14 4 17 43.37 8.77 14 -4 17 47.79 10.14 14 4 18 15.80 6.26 14 -4 18 9.25 4.87 14 4 19 1.93 4.09 14 -4 19 0.09 3.12 14 4 20 60.61 11.35 14 -4 20 57.78 11.54 14 -5 -16 4.40 4.48 14 -5 -15 1.28 2.79 14 -5 -14 2.69 2.78 14 -5 -13 11.21 5.60 14 -5 -12 23.25 7.02 14 -5 -11 5.62 2.93 14 -5 -10 19.47 6.88 14 -5 -9 15.32 4.62 14 -5 -8 2.67 2.49 14 -5 -7 14.12 5.54 14 -5 -6 2.79 3.17 14 -5 -5 0.89 3.65 14 -5 -4 13.41 5.34 14 5 -4 16.08 5.25 14 -5 -3 7.98 4.59 14 5 -3 7.96 3.30 14 -5 -2 9.13 4.19 14 5 -2 9.26 4.66 14 -5 -1 57.88 10.96 14 5 -1 75.55 11.33 14 5 0 145.14 15.34 14 -5 0 141.68 15.52 14 5 1 61.16 10.37 14 -5 1 57.61 10.50 14 -5 2 8.52 3.91 14 5 2 23.59 6.59 14 -5 3 14.68 5.75 14 5 3 16.87 4.66 14 -5 4 22.10 6.09 14 5 4 16.14 5.04 14 -5 5 -0.26 3.07 14 5 5 7.66 4.47 14 -5 6 -0.59 2.93 14 5 6 -1.99 2.89 14 -5 7 23.38 5.70 14 5 7 6.88 3.47 14 -5 8 7.12 5.19 14 5 8 4.00 3.63 14 -5 9 13.20 6.54 14 5 9 18.76 5.75 14 -5 10 13.47 6.19 14 5 10 21.22 6.98 14 -5 11 8.76 4.29 14 5 11 19.04 6.55 14 -5 12 23.64 6.65 14 5 12 8.02 2.34 14 -5 13 7.00 2.79 14 5 13 9.41 4.11 14 -5 14 3.33 3.80 14 5 14 10.97 4.27 14 -5 15 -2.97 5.09 14 5 15 2.02 4.73 14 -5 16 13.94 5.76 14 5 16 11.83 5.85 14 -5 17 -0.78 3.49 14 5 17 -1.39 2.77 14 -5 18 1.33 4.07 14 5 18 -1.41 3.39 14 -6 -16 41.25 9.79 14 -6 -15 6.28 4.79 14 -6 -14 4.44 3.71 14 -6 -13 3.06 4.48 14 -6 -12 60.74 10.97 14 -6 -11 22.61 6.14 14 -6 -10 146.61 16.92 14 -6 -9 28.20 6.94 14 -6 -8 20.52 7.07 14 -6 -7 25.32 7.28 14 -6 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7.33 14 -7 -4 7.28 4.66 14 -7 -3 16.68 4.71 14 -7 -2 18.21 6.78 14 -7 -1 -5.29 5.04 14 7 -1 1.31 2.71 14 7 0 42.53 9.06 14 -7 0 68.72 11.29 14 -7 1 3.47 4.58 14 7 1 -4.30 4.81 14 -7 2 12.07 5.08 14 7 2 21.24 6.63 14 -7 3 14.53 5.60 14 7 3 20.13 6.09 14 -7 4 16.59 6.51 14 7 4 4.58 3.66 14 -7 5 24.82 7.33 14 7 5 17.75 5.29 14 -7 6 28.79 8.39 14 7 6 48.69 9.47 14 -7 7 14.64 6.27 14 7 7 1.67 3.75 14 -7 8 2.18 2.37 14 7 8 22.78 6.23 14 -7 9 0.66 3.10 14 7 9 1.90 3.26 14 -7 10 2.83 3.05 14 7 10 0.46 3.28 14 -7 11 16.16 6.97 14 7 11 7.11 2.18 14 -7 12 24.19 7.55 14 7 12 16.08 5.93 14 -7 13 12.30 4.78 14 7 13 4.66 2.21 14 -8 -8 14.33 6.28 14 -8 -7 3.04 3.52 14 -8 -6 20.06 6.17 14 -8 -5 2.66 2.42 14 -8 -4 40.32 9.00 14 -8 -3 3.70 3.52 14 -8 -2 11.29 4.94 14 -8 -1 5.80 4.20 14 -8 0 7.00 4.28 14 -8 1 9.17 3.28 14 8 1 13.79 5.35 14 -8 2 12.10 5.00 14 8 2 -0.51 2.96 14 -8 3 12.45 5.31 14 8 3 5.79 2.51 14 -8 4 23.20 6.64 14 8 4 34.18 8.65 14 -8 5 -0.82 3.17 14 8 5 2.31 4.46 14 -8 6 33.18 8.41 14 8 6 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5 1 2.54 2.79 18 -5 1 15.23 6.03 18 5 2 -1.20 2.56 18 -5 2 -0.98 2.08 18 5 3 2.71 5.17 18 -5 3 -0.73 3.19 18 5 4 11.95 4.81 18 -5 4 7.20 4.26 18 5 5 2.49 2.38 18 -5 5 -2.47 3.28 18 5 6 13.85 5.89 18 -5 6 9.51 4.76 18 5 7 3.33 3.64 18 -5 7 0.75 3.12 19 0 -7 -1.55 3.64 19 0 -6 -6.07 5.02 19 0 -5 -0.99 3.40 19 0 -4 2.77 4.59 19 0 -3 1.47 2.75 19 0 -2 1.73 4.86 19 0 -1 0.98 3.20 19 0 0 -0.34 2.13 19 0 1 -2.01 2.99 19 0 2 0.93 2.70 19 0 3 -1.18 4.12 19 0 4 -1.54 3.09 19 0 5 -1.59 3.78 19 0 6 0.70 4.01 19 0 7 1.26 4.67 19 0 8 -2.70 3.51 19 0 9 -1.97 2.40 19 0 10 -0.80 3.06 19 0 11 -0.31 4.03 19 0 12 -1.80 3.76 19 -1 -8 19.43 6.41 19 -1 -7 34.22 8.96 19 1 -6 69.34 13.67 19 -1 -6 54.65 10.68 19 -1 -5 62.53 11.62 19 1 -5 72.02 12.28 19 -1 -4 35.16 9.03 19 1 -4 18.49 6.78 19 -1 -3 20.90 6.60 19 1 -3 12.87 6.46 19 -1 -2 62.48 10.97 19 1 -2 71.10 12.38 19 -1 -1 66.42 12.39 19 1 -1 74.42 12.57 19 -1 0 9.90 4.43 19 1 0 9.26 5.69 19 -1 1 63.15 10.93 19 1 1 66.96 11.60 19 -1 2 62.13 10.84 19 1 2 62.48 11.43 19 -1 3 16.76 6.82 19 1 3 6.36 3.11 19 -1 4 34.57 8.46 19 1 4 21.79 6.31 19 -1 5 77.89 12.42 19 1 5 74.68 12.03 19 -1 6 57.62 11.00 19 1 6 61.50 10.73 19 1 7 47.71 10.21 19 -1 7 26.44 7.36 19 -1 8 12.29 5.79 19 1 8 9.07 3.44 19 -1 9 21.96 6.54 19 1 9 9.18 5.32 19 -1 10 69.92 13.44 19 1 10 93.52 13.62 19 -1 11 68.07 12.07 19 1 11 54.52 10.88 19 -1 12 9.83 5.15 19 1 12 5.74 3.61 19 -2 -9 6.09 5.49 19 -2 -8 -0.74 2.71 19 -2 -7 12.32 4.59 19 -2 -6 29.47 8.45 19 -2 -5 23.31 6.12 19 2 -5 -10.98 4.67 19 -2 -4 11.29 4.93 19 2 -4 11.38 6.32 19 -2 -3 7.85 5.09 19 2 -3 11.54 7.02 19 -2 -2 6.18 4.41 19 2 -2 2.76 3.90 19 -2 -1 5.75 4.11 19 2 -1 4.85 3.00 19 -2 0 9.25 5.63 19 2 0 11.01 5.95 19 -2 1 17.59 6.32 19 2 1 6.08 2.50 19 -2 2 11.65 5.02 19 2 2 3.43 2.83 19 -2 3 6.79 4.12 19 2 3 11.14 4.98 19 -2 4 6.06 4.60 19 2 4 18.26 6.68 19 -2 5 51.15 10.22 19 2 5 30.33 8.19 19 -2 6 25.41 7.00 19 2 6 27.92 7.34 19 -2 7 20.71 6.93 19 2 7 8.88 5.19 19 -2 8 4.01 2.20 19 2 8 2.03 3.60 19 -2 9 5.25 4.95 19 2 9 3.69 2.10 19 -2 10 6.24 5.13 19 2 10 10.05 6.05 19 -2 11 4.27 2.35 19 2 11 4.74 4.00 19 -3 -9 23.16 6.78 19 -3 -8 29.78 8.30 19 -3 -7 6.85 5.45 19 -3 -6 13.97 6.77 19 -3 -5 11.21 5.79 19 -3 -4 7.96 4.33 19 -3 -3 10.77 3.96 19 3 -3 8.12 4.84 19 -3 -2 18.15 6.49 19 3 -2 18.74 4.90 19 -3 -1 3.50 3.00 19 3 -1 2.98 3.93 19 -3 0 5.05 4.21 19 3 0 4.95 4.51 19 -3 1 4.54 2.93 19 3 1 7.53 5.19 19 -3 2 26.65 7.67 19 3 2 15.30 5.68 19 -3 3 15.52 5.19 19 3 3 2.35 2.54 19 -3 4 3.77 3.14 19 3 4 11.54 5.08 19 3 5 2.97 2.83 19 -3 5 18.66 6.55 19 3 6 5.96 3.35 19 -3 6 16.86 7.63 19 3 7 4.45 2.27 19 -3 7 8.10 4.96 19 3 8 33.38 8.00 19 -3 8 31.30 8.23 19 3 9 20.36 6.75 19 -3 9 18.16 6.86 19 -4 -6 0.71 3.09 19 -4 -5 3.89 3.65 19 -4 -4 7.66 5.10 19 -4 -3 13.60 6.37 19 -4 -2 8.68 4.37 19 4 -2 27.47 8.57 19 -4 -1 4.61 4.23 19 4 -1 -2.92 2.43 19 -4 0 10.81 4.99 19 4 0 6.10 3.98 19 4 1 -0.02 2.88 19 -4 1 -1.72 4.88 19 4 2 16.14 7.36 19 -4 2 13.79 6.74 19 4 3 7.81 4.61 19 -4 3 8.62 4.45 19 4 4 8.67 4.84 19 -4 4 16.08 5.04 19 4 5 -0.87 5.06 19 -4 5 4.75 4.39 19 4 6 -1.63 2.69 19 -4 6 1.76 5.09 20 0 -6 2.52 3.65 20 0 -5 97.91 14.44 20 0 -4 310.79 25.87 20 0 -3 5.75 3.72 20 0 -2 319.29 26.10 20 0 -1 46.42 10.37 20 0 0 0.15 2.59 20 0 1 25.33 6.22 20 0 2 323.89 25.41 20 0 3 -2.34 2.05 20 0 4 277.88 23.63 20 0 5 97.15 13.93 20 0 6 -2.20 2.24 20 0 7 1.43 2.28 20 -1 -7 -1.81 5.23 20 -1 -6 3.85 5.37 20 -1 -5 15.84 6.58 20 1 -5 9.72 5.66 20 -1 -4 -3.11 4.93 20 1 -4 0.47 2.36 20 -1 -3 33.73 8.97 20 1 -3 27.25 8.14 20 -1 -2 13.62 6.18 20 1 -2 10.74 4.66 20 -1 -1 10.44 4.84 20 1 -1 2.59 3.10 20 -1 0 1.19 2.54 20 1 0 2.95 5.75 20 -1 1 4.81 5.73 20 1 1 2.28 3.92 20 -1 2 11.25 4.90 20 1 2 2.04 4.43 20 -1 3 33.20 9.53 20 1 3 19.16 6.50 20 -1 4 3.07 3.22 20 1 4 -2.36 1.96 20 -1 5 5.54 4.19 20 1 5 7.91 3.94 20 -1 6 3.69 2.72 20 1 6 1.84 3.35 20 -1 7 -2.54 3.04 20 1 7 4.98 3.59 20 -2 -5 -1.05 4.27 20 -2 -4 31.67 8.54 20 2 -4 34.00 9.44 20 -2 -3 14.33 6.41 20 2 -3 9.06 6.63 20 -2 -2 117.09 16.41 20 2 -2 122.36 15.77 20 -2 -1 5.34 4.05 20 2 -1 15.94 5.93 20 -2 0 1.73 4.14 20 2 0 -0.15 3.00 20 -2 1 3.55 2.02 20 2 1 9.93 6.89 20 -2 2 138.58 17.16 20 2 2 122.01 16.00 20 -2 3 15.52 5.81 20 2 3 9.86 5.23 20 -2 4 31.75 7.74 20 2 4 25.10 8.61 20 -2 5 13.04 6.01 20 2 5 3.01 2.32 0 0 0 0.00 0.00 TITL 011_210K_SulfamerazineF1_ in Pna2(1) REM Pna2(1) (#33, found as Pbn2(1) in ba-c setting) CELL 0.68890 14.476264 8.194570 21.852167 90.0000 90.0000 90.0000 ZERR 8.00 0.000155 0.000087 0.000368 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 31307