data_270k_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 14.49500(10) _cell_length_b 8.20940(10) _cell_length_c 21.9489(3) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 2611.81(5) _cell_formula_units_Z 8 _cell_measurement_temperature 270 _cell_measurement_reflns_used 10206 _cell_measurement_theta_min 1.7990 _cell_measurement_theta_max 29.4490 _exptl_crystal_description Parallelepiped _exptl_crystal_colour Colourless _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_density_diffrn 1.344 _exptl_crystal_F_000 1104 _exptl_transmission_factor_min ? _exptl_transmission_factor_max ? _exptl_crystal_size_max 0.50 _exptl_crystal_size_mid 0.40 _exptl_crystal_size_min 0.20 _exptl_absorpt_coefficient_mu 0.248 _shelx_estimated_absorpt_T_min 0.886 _shelx_estimated_absorpt_T_max 0.952 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.98336 _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 270 _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 23697 _diffrn_reflns_av_unetI/netI 0.0435 _diffrn_reflns_av_R_equivalents 0.0443 _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 29.474 _diffrn_reflns_theta_full 24.415 _diffrn_measured_fraction_theta_max 0.998 _diffrn_measured_fraction_theta_full 0.998 _diffrn_reflns_Laue_measured_fraction_max 0.998 _diffrn_reflns_Laue_measured_fraction_full 0.998 _diffrn_reflns_point_group_measured_fraction_max 0.969 _diffrn_reflns_point_group_measured_fraction_full 0.988 _reflns_number_total 7736 _reflns_number_gt 5802 _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 2102 quotients [(I+)-(I-)]/[(I+)+(I-)] (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259). ; _refine_ls_abs_structure_Flack -0.01(5) _chemical_absolute_configuration ad _refine_ls_number_reflns 7736 _refine_ls_number_parameters 344 _refine_ls_number_restraints 1 _refine_ls_R_factor_all 0.0702 _refine_ls_R_factor_gt 0.0487 _refine_ls_wR_factor_ref 0.1292 _refine_ls_wR_factor_gt 0.1123 _refine_ls_goodness_of_fit_ref 1.031 _refine_ls_restrained_S_all 1.031 _refine_ls_shift/su_max 0.048 _refine_ls_shift/su_mean 0.001 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 0.64672(6) 0.49583(10) 0.34444(5) 0.0372(2) Uani 1 1 d . . . . . S2 S 0.57765(6) 0.49498(10) 0.65239(5) 0.0366(2) Uani 1 1 d . . . . . O1 O 0.69010(19) 0.3718(3) 0.30901(13) 0.0481(7) Uani 1 1 d . . . . . O2 O 0.54985(18) 0.5226(3) 0.33762(15) 0.0477(6) Uani 1 1 d . . . . . O3 O 0.67522(17) 0.4672(3) 0.65856(14) 0.0464(6) Uani 1 1 d . . . . . O4 O 0.53552(19) 0.6220(3) 0.68685(13) 0.0480(7) Uani 1 1 d . . . . . N1 N 0.8431(3) 1.1156(4) 0.3124(2) 0.0555(10) Uani 1 1 d . . . . . N2 N 0.6560(2) 0.4492(4) 0.41707(17) 0.0423(7) Uani 1 1 d . . . . . N3 N 0.8151(2) 0.4096(4) 0.41788(16) 0.0421(7) Uani 1 1 d . . . . . N4 N 0.7282(2) 0.4286(5) 0.50945(17) 0.0593(10) Uani 1 1 d . . . . . N5 N 0.3805(3) -0.1200(4) 0.6960(2) 0.0713(13) Uani 1 1 d . . . . . H5A H 0.4076 -0.2116 0.6895 0.093 Uiso 1 1 calc R U . . . H5B H 0.3243 -0.1182 0.7085 0.093 Uiso 1 1 calc R U . . . N6 N 0.5682(2) 0.5359(5) 0.57917(17) 0.0455(8) Uani 1 1 d . . . . . N7 N 0.4101(2) 0.5850(4) 0.57973(16) 0.0453(8) Uani 1 1 d . . . . . N8 N 0.4965(2) 0.5664(5) 0.48765(18) 0.0589(10) Uani 1 1 d . . . . . C1 C 0.7057(2) 0.6779(4) 0.33432(19) 0.0336(7) Uani 1 1 d . . . . . C2 C 0.7952(2) 0.6793(4) 0.31071(17) 0.0365(7) Uani 1 1 d . . . . . H2 H 0.8239 0.5822 0.2999 0.047 Uiso 1 1 calc R U . . . C3 C 0.8407(2) 0.8254(4) 0.30358(19) 0.0361(8) Uani 1 1 d . . . . . H3 H 0.9006 0.8262 0.2884 0.047 Uiso 1 1 calc R U . . . C4 C 0.7979(3) 0.9724(4) 0.31882(18) 0.0400(8) Uani 1 1 d . . . . . C5 C 0.7072(3) 0.9691(4) 0.3425(2) 0.0427(8) Uani 1 1 d . . . . . H5 H 0.6780 1.0659 0.3531 0.056 Uiso 1 1 calc R U . . . C6 C 0.6621(2) 0.8227(4) 0.3500(2) 0.0407(8) Uani 1 1 d . . . . . H6 H 0.6025 0.8208 0.3656 0.053 Uiso 1 1 calc R U . . . C7 C 0.7379(2) 0.4292(5) 0.44926(18) 0.0399(8) Uani 1 1 d . . . . . C8 C 0.8064(3) 0.4027(9) 0.5405(3) 0.0796(17) Uani 1 1 d . . . . . H8 H 0.8038 0.3983 0.5829 0.104 Uiso 1 1 calc R U . . . C9 C 0.8896(3) 0.3826(7) 0.5125(3) 0.0736(15) Uani 1 1 d . . . . . H9 H 0.9429 0.3654 0.5352 0.096 Uiso 1 1 calc R U . . . C10 C 0.8926(3) 0.3883(5) 0.4503(2) 0.0524(10) Uani 1 1 d . . . . . C11 C 0.9797(3) 0.3711(7) 0.4148(3) 0.0714(14) Uani 1 1 d . . . . . H11A H 0.9792 0.2693 0.3933 0.093 Uiso 1 1 calc R U . . . H11B H 1.0314 0.3737 0.4421 0.093 Uiso 1 1 calc R U . . . H11C H 0.9846 0.4591 0.3862 0.093 Uiso 1 1 calc R U . . . C12 C 0.5192(2) 0.3150(4) 0.66583(17) 0.0357(7) Uani 1 1 d . . . . . C13 C 0.5632(3) 0.1681(4) 0.6557(2) 0.0486(10) Uani 1 1 d . . . . . H13 H 0.6239 0.1672 0.6418 0.063 Uiso 1 1 calc R U . . . C14 C 0.5181(3) 0.0234(4) 0.6659(2) 0.0535(12) Uani 1 1 d . . . . . H14 H 0.5486 -0.0748 0.6592 0.070 Uiso 1 1 calc R U . . . C15 C 0.4268(3) 0.0230(4) 0.6863(2) 0.0454(9) Uani 1 1 d . . . . . C16 C 0.3829(3) 0.1724(4) 0.69647(19) 0.0421(8) Uani 1 1 d . . . . . H16 H 0.3222 0.1741 0.7102 0.055 Uiso 1 1 calc R U . . . C17 C 0.4285(2) 0.3166(4) 0.68643(19) 0.0375(8) Uani 1 1 d . . . . . H17 H 0.3988 0.4152 0.6934 0.049 Uiso 1 1 calc R U . . . C18 C 0.4871(2) 0.5643(5) 0.54833(18) 0.0399(8) Uani 1 1 d . . . . . C19 C 0.4188(4) 0.5992(9) 0.4572(2) 0.0803(18) Uani 1 1 d . . . . . H19 H 0.4212 0.6039 0.4149 0.104 Uiso 1 1 calc R U . . . C20 C 0.3365(3) 0.6260(8) 0.4849(3) 0.0796(17) Uani 1 1 d . . . . . H20 H 0.2840 0.6509 0.4624 0.104 Uiso 1 1 calc R U . . . C21 C 0.3331(3) 0.6150(6) 0.5474(2) 0.0535(10) Uani 1 1 d . . . . . C22 C 0.2460(3) 0.6341(8) 0.5833(3) 0.0771(15) Uani 1 1 d . . . . . H22A H 0.2343 0.7477 0.5903 0.100 Uiso 1 1 calc R U . . . H22B H 0.2522 0.5792 0.6217 0.100 Uiso 1 1 calc R U . . . H22C H 0.1955 0.5876 0.5610 0.100 Uiso 1 1 calc R U . . . H1N1 H 0.891(4) 1.121(6) 0.290(3) 0.073(16) Uiso 1 1 d . . . . . H2N1 H 0.810(3) 1.199(6) 0.315(2) 0.065(14) Uiso 1 1 d . . . . . H1N2 H 0.615(3) 0.485(5) 0.439(2) 0.044(13) Uiso 1 1 d . . . . . H1N6 H 0.616(4) 0.504(6) 0.561(3) 0.073(17) Uiso 1 1 d . . . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 S1 0.0344(4) 0.0394(4) 0.0378(5) 0.0029(4) -0.0015(4) -0.0024(3) S2 0.0341(4) 0.0400(4) 0.0359(5) 0.0042(4) -0.0015(4) -0.0023(3) O1 0.0557(16) 0.0408(13) 0.0477(17) -0.0041(12) 0.0010(13) -0.0015(12) O2 0.0370(13) 0.0596(15) 0.0465(17) 0.0078(14) -0.0066(14) -0.0056(11) O3 0.0338(12) 0.0615(16) 0.0439(17) 0.0087(14) -0.0062(13) -0.0030(11) O4 0.0541(16) 0.0393(13) 0.0507(17) -0.0054(12) -0.0022(14) -0.0012(11) N1 0.049(2) 0.0423(18) 0.075(3) -0.0095(18) 0.020(2) -0.0061(15) N2 0.0291(14) 0.0557(18) 0.042(2) 0.0126(16) 0.0006(14) 0.0008(13) N3 0.0335(14) 0.0470(16) 0.046(2) 0.0036(14) 0.0026(14) 0.0022(12) N4 0.0410(18) 0.095(3) 0.042(2) 0.008(2) -0.0021(16) 0.0169(18) N5 0.062(2) 0.0404(17) 0.112(4) -0.004(2) 0.020(2) -0.0094(16) N6 0.0329(15) 0.066(2) 0.038(2) 0.0123(16) 0.0022(14) 0.0037(14) N7 0.0373(16) 0.0515(18) 0.047(2) 0.0059(15) 0.0020(14) 0.0038(13) N8 0.0433(18) 0.088(3) 0.045(2) 0.008(2) -0.0012(17) 0.0140(18) C1 0.0319(16) 0.0362(15) 0.0327(19) 0.0010(14) 0.0016(14) 0.0004(12) C2 0.0342(16) 0.0418(17) 0.0336(19) -0.0007(14) 0.0004(15) 0.0036(13) C3 0.0305(16) 0.0449(19) 0.033(2) -0.0022(15) 0.0037(15) -0.0020(13) C4 0.0405(19) 0.0411(17) 0.039(2) -0.0035(14) 0.0004(16) -0.0010(13) C5 0.0420(19) 0.0392(17) 0.047(2) -0.0020(18) 0.006(2) 0.0018(13) C6 0.0355(16) 0.0413(17) 0.045(2) -0.0018(17) 0.0076(16) 0.0010(13) C7 0.0342(17) 0.0457(19) 0.040(2) 0.0069(16) -0.0013(16) 0.0024(14) C8 0.056(3) 0.134(5) 0.049(3) 0.010(3) -0.004(2) 0.026(3) C9 0.042(2) 0.120(4) 0.059(3) 0.000(3) -0.014(2) 0.022(2) C10 0.039(2) 0.057(2) 0.061(3) 0.000(2) 0.000(2) 0.0090(17) C11 0.043(2) 0.089(4) 0.083(4) -0.007(3) 0.007(2) 0.010(2) C12 0.0353(16) 0.0362(15) 0.0358(19) 0.0004(13) 0.0006(15) 0.0009(12) C13 0.0365(19) 0.0429(19) 0.066(3) 0.000(2) 0.009(2) 0.0053(14) C14 0.046(2) 0.0364(18) 0.078(4) -0.0035(19) 0.009(2) 0.0059(14) C15 0.047(2) 0.0410(18) 0.048(2) -0.0023(16) 0.0052(18) -0.0042(15) C16 0.0377(18) 0.0464(19) 0.042(2) -0.0064(16) 0.0056(16) -0.0035(14) C17 0.0384(18) 0.0365(16) 0.038(2) -0.0016(15) 0.0048(16) 0.0022(13) C18 0.0351(17) 0.0468(18) 0.038(2) 0.0064(16) -0.0006(16) 0.0009(14) C19 0.058(3) 0.141(6) 0.043(3) 0.003(3) -0.009(2) 0.030(3) C20 0.049(2) 0.131(5) 0.059(3) -0.003(3) -0.013(3) 0.032(3) C21 0.040(2) 0.061(2) 0.059(3) -0.003(2) -0.0019(19) 0.0114(18) C22 0.037(2) 0.102(4) 0.093(4) -0.002(3) 0.006(2) 0.015(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 1.427(3) . ? S1 O2 1.429(3) . ? S1 N2 1.645(4) . ? S1 C1 1.736(3) . ? S2 O4 1.425(3) . ? S2 O3 1.439(3) . ? S2 N6 1.648(4) . ? S2 C12 1.728(3) . ? N1 C4 1.354(5) . ? N1 H1N1 0.85(6) . ? N1 H2N1 0.84(5) . ? N2 C7 1.392(5) . ? N2 H1N2 0.81(5) . ? N3 C7 1.324(4) . ? N3 C10 1.341(5) . ? N4 C7 1.329(5) . ? N4 C8 1.340(6) . ? N5 C15 1.369(5) . ? N5 H5A 0.8600 . ? N5 H5B 0.8600 . ? N6 C18 1.376(5) . ? N6 H1N6 0.83(6) . ? N7 C18 1.322(5) . ? N7 C21 1.346(5) . ? N8 C19 1.338(6) . ? N8 C18 1.339(5) . ? C1 C6 1.390(5) . ? C1 C2 1.398(5) . ? C2 C3 1.377(5) . ? C2 H2 0.9300 . ? C3 C4 1.397(5) . ? C3 H3 0.9300 . ? C4 C5 1.414(5) . ? C5 C6 1.378(5) . ? C5 H5 0.9300 . ? C6 H6 0.9300 . ? C8 C9 1.363(7) . ? C8 H8 0.9300 . ? C9 C10 1.368(7) . ? C9 H9 0.9300 . ? C10 C11 1.490(6) . ? C11 H11A 0.9600 . ? C11 H11B 0.9600 . ? C11 H11C 0.9600 . ? C12 C13 1.383(5) . ? C12 C17 1.390(5) . ? C13 C14 1.375(5) . ? C13 H13 0.9300 . ? C14 C15 1.397(5) . ? C14 H14 0.9300 . ? C15 C16 1.400(5) . ? C16 C17 1.374(5) . ? C16 H16 0.9300 . ? C17 H17 0.9300 . ? C19 C20 1.357(7) . ? C19 H19 0.9300 . ? C20 C21 1.376(7) . ? C20 H20 0.9300 . ? C21 C22 1.497(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 119.05(18) . . ? O1 S1 N2 109.03(19) . . ? O2 S1 N2 102.57(18) . . ? O1 S1 C1 109.12(18) . . ? O2 S1 C1 109.74(16) . . ? N2 S1 C1 106.52(19) . . ? O4 S2 O3 119.14(18) . . ? O4 S2 N6 109.43(18) . . ? O3 S2 N6 101.88(18) . . ? O4 S2 C12 108.94(18) . . ? O3 S2 C12 109.29(16) . . ? N6 S2 C12 107.46(19) . . ? C4 N1 H1N1 120(4) . . ? C4 N1 H2N1 116(3) . . ? H1N1 N1 H2N1 117(5) . . ? C7 N2 S1 126.1(3) . . ? C7 N2 H1N2 112(3) . . ? S1 N2 H1N2 115(3) . . ? C7 N3 C10 116.6(3) . . ? C7 N4 C8 114.7(4) . . ? C15 N5 H5A 120.0 . . ? C15 N5 H5B 120.0 . . ? H5A N5 H5B 120.0 . . ? C18 N6 S2 125.8(3) . . ? C18 N6 H1N6 122(4) . . ? S2 N6 H1N6 109(4) . . ? C18 N7 C21 116.7(4) . . ? C19 N8 C18 114.4(4) . . ? C6 C1 C2 120.4(3) . . ? C6 C1 S1 118.8(3) . . ? C2 C1 S1 120.8(3) . . ? C3 C2 C1 119.6(3) . . ? C3 C2 H2 120.2 . . ? C1 C2 H2 120.2 . . ? C2 C3 C4 120.8(3) . . ? C2 C3 H3 119.6 . . ? C4 C3 H3 119.6 . . ? N1 C4 C3 120.7(4) . . ? N1 C4 C5 120.3(3) . . ? C3 C4 C5 119.0(3) . . ? C6 C5 C4 120.1(3) . . ? C6 C5 H5 120.0 . . ? C4 C5 H5 120.0 . . ? C5 C6 C1 120.1(3) . . ? C5 C6 H6 119.9 . . ? C1 C6 H6 119.9 . . ? N4 C7 N3 127.3(4) . . ? N4 C7 N2 114.5(3) . . ? N3 C7 N2 118.1(3) . . ? N4 C8 C9 122.5(5) . . ? N4 C8 H8 118.7 . . ? C9 C8 H8 118.7 . . ? C10 C9 C8 118.4(4) . . ? C10 C9 H9 120.8 . . ? C8 C9 H9 120.8 . . ? N3 C10 C9 120.5(4) . . ? N3 C10 C11 116.4(4) . . ? C9 C10 C11 123.1(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 119.8(3) . . ? C13 C12 S2 119.5(3) . . ? C17 C12 S2 120.7(3) . . ? C12 C13 C14 120.5(3) . . ? C12 C13 H13 119.7 . . ? C14 C13 H13 119.7 . . ? C13 C14 C15 120.3(3) . . ? C13 C14 H14 119.9 . . ? C15 C14 H14 119.9 . . ? N5 C15 C14 121.1(4) . . ? N5 C15 C16 120.2(4) . . ? C14 C15 C16 118.7(3) . . ? C17 C16 C15 120.7(3) . . ? C17 C16 H16 119.7 . . ? C15 C16 H16 119.7 . . ? C16 C17 C12 120.0(3) . . ? C16 C17 H17 120.0 . . ? C12 C17 H17 120.0 . . ? N7 C18 N8 127.1(4) . . ? N7 C18 N6 119.1(3) . . ? N8 C18 N6 113.8(3) . . ? N8 C19 C20 123.3(5) . . ? N8 C19 H19 118.4 . . ? C20 C19 H19 118.4 . . ? C19 C20 C21 117.9(5) . . ? C19 C20 H20 121.0 . . ? C21 C20 H20 121.0 . . ? N7 C21 C20 120.5(4) . . ? N7 C21 C22 116.2(4) . . ? C20 C21 C22 123.3(5) . . ? C21 C22 H22A 109.5 . . ? C21 C22 H22B 109.5 . . ? H22A C22 H22B 109.5 . . ? C21 C22 H22C 109.5 . . ? H22A C22 H22C 109.5 . . ? H22B C22 H22C 109.5 . . ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag O1 S1 N2 C7 60.5(4) . . . . ? O2 S1 N2 C7 -172.4(3) . . . . ? C1 S1 N2 C7 -57.1(4) . . . . ? O4 S2 N6 C18 -56.4(4) . . . . ? O3 S2 N6 C18 176.6(3) . . . . ? C12 S2 N6 C18 61.8(4) . . . . ? O1 S1 C1 C6 162.1(3) . . . . ? O2 S1 C1 C6 30.0(4) . . . . ? N2 S1 C1 C6 -80.3(3) . . . . ? O1 S1 C1 C2 -17.8(4) . . . . ? O2 S1 C1 C2 -149.9(3) . . . . ? N2 S1 C1 C2 99.8(3) . . . . ? C6 C1 C2 C3 0.6(6) . . . . ? S1 C1 C2 C3 -179.5(3) . . . . ? C1 C2 C3 C4 -1.0(6) . . . . ? C2 C3 C4 N1 179.2(4) . . . . ? C2 C3 C4 C5 0.8(6) . . . . ? N1 C4 C5 C6 -178.8(4) . . . . ? C3 C4 C5 C6 -0.4(6) . . . . ? C4 C5 C6 C1 0.1(6) . . . . ? C2 C1 C6 C5 -0.2(6) . . . . ? S1 C1 C6 C5 179.9(4) . . . . ? C8 N4 C7 N3 -1.0(7) . . . . ? C8 N4 C7 N2 177.4(5) . . . . ? C10 N3 C7 N4 -0.7(6) . . . . ? C10 N3 C7 N2 -179.1(4) . . . . ? S1 N2 C7 N4 165.4(3) . . . . ? S1 N2 C7 N3 -16.0(5) . . . . ? C7 N4 C8 C9 1.5(9) . . . . ? N4 C8 C9 C10 -0.4(10) . . . . ? C7 N3 C10 C9 1.9(6) . . . . ? C7 N3 C10 C11 -178.3(4) . . . . ? C8 C9 C10 N3 -1.4(8) . . . . ? C8 C9 C10 C11 178.8(6) . . . . ? O4 S2 C12 C13 -157.7(3) . . . . ? O3 S2 C12 C13 -25.9(4) . . . . ? N6 S2 C12 C13 83.9(4) . . . . ? O4 S2 C12 C17 22.6(4) . . . . ? O3 S2 C12 C17 154.4(3) . . . . ? N6 S2 C12 C17 -95.8(3) . . . . ? C17 C12 C13 C14 -0.1(7) . . . . ? S2 C12 C13 C14 -179.9(4) . . . . ? C12 C13 C14 C15 0.5(7) . . . . ? C13 C14 C15 N5 179.2(5) . . . . ? C13 C14 C15 C16 -0.5(7) . . . . ? N5 C15 C16 C17 -179.5(4) . . . . ? C14 C15 C16 C17 0.2(6) . . . . ? C15 C16 C17 C12 0.1(6) . . . . ? C13 C12 C17 C16 -0.2(6) . . . . ? S2 C12 C17 C16 179.5(3) . . . . ? C21 N7 C18 N8 -1.6(6) . . . . ? C21 N7 C18 N6 178.9(4) . . . . ? C19 N8 C18 N7 2.6(7) . . . . ? C19 N8 C18 N6 -177.9(5) . . . . ? S2 N6 C18 N7 10.6(5) . . . . ? S2 N6 C18 N8 -168.9(3) . . . . ? C18 N8 C19 C20 -1.0(9) . . . . ? N8 C19 C20 C21 -1.5(11) . . . . ? C18 N7 C21 C20 -1.1(7) . . . . ? C18 N7 C21 C22 178.5(4) . . . . ? C19 C20 C21 N7 2.6(9) . . . . ? C19 C20 C21 C22 -177.1(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 H5A O4 0.86 2.30 3.095(5) 152.9 1_545 N1 H1N1 O4 0.85(6) 2.50(6) 3.270(5) 151(5) 4_654 N1 H2N1 O1 0.84(5) 2.25(5) 3.057(5) 163(4) 1_565 N2 H1N2 N8 0.81(5) 2.14(5) 2.944(5) 173(5) . N6 H1N6 N4 0.83(6) 2.09(6) 2.915(5) 175(6) . _refine_diff_density_max 0.242 _refine_diff_density_min -0.302 _refine_diff_density_rms 0.045 _shelx_res_file ; 270k_smz-f1_a.res created by SHELXL-2014/7 TITL 270k_smz-f1_a.res in Pna2(1) REM Old TITL 005_270K_SulfamerazineF1_ in Pna2(1) REM SHELXT solution in Pna2(1) REM R1 0.106, Rweak 0.028, Alpha 0.001, Orientation as input REM Flack x = 0.028 ( 0.041 ) from Parsons' quotients REM Formula found by SHELXT: C25 N5 O4 S2 CELL 0.68890 14.4950 8.2094 21.9489 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 0.41452 0.35344 S1 5 0.646720 0.495834 0.344444 11.00000 0.03437 0.03939 = 0.03776 0.00286 -0.00145 -0.00237 S2 5 0.577651 0.494984 0.652393 11.00000 0.03409 0.03999 = 0.03586 0.00423 -0.00147 -0.00231 O1 4 0.690105 0.371785 0.309006 11.00000 0.05573 0.04083 = 0.04770 -0.00411 0.00097 -0.00147 O2 4 0.549854 0.522621 0.337618 11.00000 0.03697 0.05959 = 0.04650 0.00783 -0.00663 -0.00556 O3 4 0.675223 0.467239 0.658559 11.00000 0.03376 0.06146 = 0.04394 0.00869 -0.00618 -0.00296 O4 4 0.535517 0.621981 0.686848 11.00000 0.05406 0.03929 = 0.05071 -0.00539 -0.00223 -0.00117 N1 3 0.843135 1.115624 0.312427 11.00000 0.04880 0.04234 = 0.07547 -0.00954 0.01975 -0.00610 N2 3 0.655983 0.449198 0.417067 11.00000 0.02905 0.05575 = 0.04220 0.01255 0.00061 0.00082 N3 3 0.815142 0.409620 0.417881 11.00000 0.03345 0.04697 = 0.04589 0.00357 0.00261 0.00220 N4 3 0.728229 0.428566 0.509449 11.00000 0.04095 0.09549 = 0.04159 0.00804 -0.00214 0.01688 N5 3 0.380471 -0.119969 0.695986 11.00000 0.06164 0.04040 = 0.11175 -0.00444 0.01973 -0.00944 AFIX 93 H5A 2 0.407554 -0.211570 0.689542 11.00000 -1.30000 H5B 2 0.324274 -0.118177 0.708534 11.00000 -1.30000 AFIX 0 N6 3 0.568192 0.535939 0.579167 11.00000 0.03294 0.06556 = 0.03800 0.01230 0.00219 0.00368 N7 3 0.410147 0.584997 0.579726 11.00000 0.03731 0.05148 = 0.04700 0.00585 0.00199 0.00379 N8 3 0.496521 0.566353 0.487653 11.00000 0.04326 0.08789 = 0.04546 0.00822 -0.00116 0.01398 C1 1 0.705659 0.677854 0.334320 11.00000 0.03194 0.03619 = 0.03265 0.00101 0.00159 0.00044 C2 1 0.795225 0.679320 0.310710 11.00000 0.03420 0.04179 = 0.03357 -0.00072 0.00036 0.00364 AFIX 43 H2 2 0.823931 0.582233 0.299879 11.00000 -1.30000 AFIX 0 C3 1 0.840712 0.825385 0.303580 11.00000 0.03053 0.04492 = 0.03285 -0.00218 0.00369 -0.00198 AFIX 43 H3 2 0.900637 0.826208 0.288445 11.00000 -1.30000 AFIX 0 C4 1 0.797899 0.972357 0.318818 11.00000 0.04053 0.04107 = 0.03852 -0.00348 0.00037 -0.00105 C5 1 0.707205 0.969120 0.342542 11.00000 0.04196 0.03924 = 0.04693 -0.00199 0.00615 0.00183 AFIX 43 H5 2 0.677961 1.065913 0.353111 11.00000 -1.30000 AFIX 0 C6 1 0.662128 0.822717 0.350016 11.00000 0.03552 0.04129 = 0.04522 -0.00179 0.00764 0.00098 AFIX 43 H6 2 0.602469 0.820842 0.365590 11.00000 -1.30000 AFIX 0 C7 1 0.737933 0.429157 0.449258 11.00000 0.03424 0.04567 = 0.03970 0.00690 -0.00130 0.00241 C8 1 0.806415 0.402716 0.540548 11.00000 0.05558 0.13412 = 0.04915 0.00979 -0.00427 0.02624 AFIX 43 H8 2 0.803848 0.398346 0.582853 11.00000 -1.30000 AFIX 0 C9 1 0.889565 0.382579 0.512547 11.00000 0.04157 0.11982 = 0.05943 0.00043 -0.01408 0.02244 AFIX 43 H9 2 0.942899 0.365402 0.535207 11.00000 -1.30000 AFIX 0 C10 1 0.892635 0.388257 0.450290 11.00000 0.03924 0.05699 = 0.06098 0.00028 -0.00045 0.00905 C11 1 0.979720 0.371061 0.414829 11.00000 0.04279 0.08873 = 0.08258 -0.00671 0.00654 0.01027 AFIX 137 H11A 2 0.979210 0.269300 0.393283 11.00000 -1.30000 H11B 2 1.031436 0.373719 0.442135 11.00000 -1.30000 H11C 2 0.984635 0.459083 0.386218 11.00000 -1.30000 AFIX 0 C12 1 0.519212 0.315032 0.665833 11.00000 0.03530 0.03615 = 0.03577 0.00040 0.00061 0.00092 C13 1 0.563241 0.168135 0.655669 11.00000 0.03646 0.04293 = 0.06641 -0.00022 0.00943 0.00529 AFIX 43 H13 2 0.623866 0.167241 0.641802 11.00000 -1.30000 AFIX 0 C14 1 0.518145 0.023377 0.665891 11.00000 0.04566 0.03639 = 0.07849 -0.00345 0.00937 0.00590 AFIX 43 H14 2 0.548559 -0.074761 0.659213 11.00000 -1.30000 AFIX 0 C15 1 0.426826 0.023025 0.686267 11.00000 0.04727 0.04105 = 0.04774 -0.00232 0.00525 -0.00416 C16 1 0.382884 0.172424 0.696467 11.00000 0.03774 0.04645 = 0.04200 -0.00639 0.00562 -0.00353 AFIX 43 H16 2 0.322181 0.174088 0.710174 11.00000 -1.30000 AFIX 0 C17 1 0.428549 0.316610 0.686429 11.00000 0.03845 0.03654 = 0.03752 -0.00161 0.00484 0.00219 AFIX 43 H17 2 0.398801 0.415229 0.693414 11.00000 -1.30000 AFIX 0 C18 1 0.487077 0.564302 0.548331 11.00000 0.03515 0.04680 = 0.03787 0.00637 -0.00059 0.00093 C19 1 0.418766 0.599199 0.457188 11.00000 0.05752 0.14067 = 0.04268 0.00271 -0.00879 0.03044 AFIX 43 H19 2 0.421236 0.603912 0.414885 11.00000 -1.30000 AFIX 0 C20 1 0.336497 0.625975 0.484913 11.00000 0.04876 0.13086 = 0.05932 -0.00328 -0.01309 0.03211 AFIX 43 H20 2 0.284046 0.650936 0.462367 11.00000 -1.30000 AFIX 0 C21 1 0.333084 0.615045 0.547439 11.00000 0.04012 0.06106 = 0.05929 -0.00251 -0.00195 0.01143 C22 1 0.245965 0.634104 0.583342 11.00000 0.03703 0.10188 = 0.09252 -0.00223 0.00632 0.01507 AFIX 137 H22A 2 0.234338 0.747718 0.590291 11.00000 -1.30000 H22B 2 0.252227 0.579195 0.621737 11.00000 -1.30000 H22C 2 0.195451 0.587624 0.561028 11.00000 -1.30000 AFIX 0 H1N1 2 0.890865 1.121362 0.289887 11.00000 0.07307 H2N1 2 0.810388 1.199145 0.314675 11.00000 0.06484 H1N2 2 0.615359 0.484811 0.438624 11.00000 0.04444 H1N6 2 0.615668 0.504344 0.561459 11.00000 0.07274 HKLF 4 REM 270k_smz-f1_a.res in Pna2(1) REM R1 = 0.0487 for 5802 Fo > 4sig(Fo) and 0.0702 for all 7736 data REM 344 parameters refined using 1 restraints END WGHT 0.0493 0.4368 REM Highest difference peak 0.242, deepest hole -0.302, 1-sigma level 0.045 Q1 1 0.6939 0.5857 0.3469 11.00000 0.05 0.24 Q2 1 0.5485 0.2577 0.6685 11.00000 0.05 0.21 Q3 1 0.8049 0.7634 0.3007 11.00000 0.05 0.20 Q4 1 0.5203 0.4184 0.6517 11.00000 0.05 0.19 Q5 1 0.5910 0.5695 0.3411 11.00000 0.05 0.19 Q6 1 0.5480 0.3837 0.6627 11.00000 0.05 0.18 Q7 1 0.5408 0.6282 0.3535 11.00000 0.05 0.18 Q8 1 0.7898 0.4736 0.5898 11.00000 0.05 0.17 Q9 1 0.5739 0.7339 0.6616 11.00000 0.05 0.17 Q10 1 0.5631 0.6253 0.6687 11.00000 0.05 0.16 Q11 1 0.9105 1.0971 0.3080 11.00000 0.05 0.16 Q12 1 0.4649 0.3334 0.6647 11.00000 0.05 0.16 Q13 1 0.6893 0.3788 0.6803 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233.02 9.78 4 4 -4 224.21 8.62 4 4 -3 96.84 6.69 4 4 -3 82.91 5.38 4 -4 -3 87.84 6.25 4 -4 -3 82.28 6.30 4 -4 -2 5.65 1.92 4 4 -2 7.30 1.93 4 -4 -2 7.72 1.82 4 4 -2 6.59 1.61 4 4 -1 6.29 1.90 4 -4 -1 6.86 1.83 4 -4 -1 7.42 2.15 4 4 -1 5.27 1.58 4 -4 0 15.50 2.57 4 -4 0 9.43 2.21 4 4 0 11.86 2.46 4 4 0 10.13 1.91 4 -4 1 3.29 1.56 4 4 1 3.69 1.36 4 4 1 5.21 1.77 4 -4 1 0.93 0.50 4 -4 2 5.44 1.83 4 4 2 6.26 1.94 4 4 2 8.34 2.08 4 -4 2 8.50 1.84 4 -4 3 82.00 5.65 4 4 3 83.08 6.21 4 4 3 85.09 6.17 4 -4 3 94.86 6.54 4 4 4 227.30 10.37 4 4 4 205.02 9.75 4 -4 4 215.31 9.14 4 -4 4 225.17 10.14 4 4 5 65.42 5.64 4 -4 5 56.73 4.75 4 -4 5 67.35 5.57 4 4 5 70.74 5.80 4 4 6 14.50 2.70 4 4 6 10.67 2.35 4 -4 6 11.38 2.13 4 -4 6 12.45 2.27 4 4 7 110.78 7.33 4 4 7 115.40 7.72 4 -4 7 129.69 7.56 4 -4 8 13.08 2.59 4 4 8 12.56 2.85 4 4 8 10.09 2.36 4 -4 9 61.72 5.31 4 4 9 68.02 6.13 4 4 9 63.45 5.66 4 -4 10 110.87 7.10 4 4 10 103.95 7.36 4 4 10 89.81 7.33 4 -4 11 119.07 7.46 4 4 11 115.54 8.26 4 4 11 103.58 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42.04 5.49 4 -5 -16 39.28 5.16 -4 -5 -15 74.97 7.16 4 5 -15 75.96 6.99 4 -5 -15 78.50 7.48 4 -5 -15 62.48 6.90 4 5 -14 4.06 1.72 4 -5 -14 4.81 2.01 4 -5 -14 2.63 1.49 -4 -5 -14 4.41 1.85 4 5 -13 50.38 5.55 -4 -5 -13 56.75 6.14 4 -5 -13 57.53 6.31 4 -5 -13 48.04 5.75 4 5 -12 52.82 5.64 -4 -5 -12 58.56 6.12 4 -5 -12 65.80 6.75 4 -5 -12 53.11 6.10 4 5 -11 1.97 1.39 -4 5 -11 0.46 1.05 4 -5 -11 0.72 1.19 -4 -5 -11 3.19 1.32 4 -5 -11 0.40 0.65 4 5 -10 30.09 4.29 -4 5 -10 30.80 3.98 4 -5 -10 25.27 4.36 4 -5 -10 31.36 4.38 -4 -5 -10 26.00 3.95 4 -5 -9 25.08 4.08 4 5 -9 19.61 3.29 4 5 -9 18.98 2.60 -4 5 -9 27.43 3.56 4 -5 -9 22.94 4.08 -4 -5 -9 20.16 3.12 4 5 -8 14.15 2.27 -4 5 -8 14.17 2.60 -4 -5 -8 10.81 2.57 4 5 -8 13.23 2.63 4 -5 -8 8.50 2.13 4 -5 -8 10.73 2.71 4 5 -7 16.55 2.45 -4 5 -7 14.33 2.64 -4 -5 -7 23.26 3.22 4 -5 -7 14.35 3.02 4 -5 -7 17.29 3.35 4 5 -7 17.14 3.10 4 5 -6 3.70 1.01 4 5 -6 5.70 1.66 -4 -5 -6 2.81 1.27 4 -5 -6 6.15 2.19 -4 5 -6 4.24 1.87 4 -5 -6 6.03 1.84 -4 -5 -5 10.47 2.23 -4 5 -5 6.79 1.98 4 5 -5 9.37 2.32 4 -5 -5 7.57 2.25 4 5 -5 7.88 1.83 4 -5 -5 9.97 2.23 4 -5 -4 50.01 5.46 4 5 -4 47.12 4.45 -4 -5 -4 45.59 4.11 -4 5 -4 44.57 4.82 4 -5 -4 45.80 4.77 4 5 -4 47.52 5.12 4 5 -3 12.99 2.72 4 5 -3 17.41 2.83 4 -5 -3 13.73 2.52 -4 5 -3 11.68 2.23 4 -5 -3 11.64 2.70 4 5 -2 -1.17 0.90 4 5 -2 1.52 1.49 -4 5 -2 2.02 1.46 4 -5 -2 0.21 1.00 4 -5 -2 1.36 0.95 4 -5 -1 41.41 4.38 4 5 -1 32.64 4.20 4 -5 -1 28.08 3.94 -4 5 -1 35.98 4.42 4 5 -1 37.05 4.12 4 5 0 11.63 2.42 -4 5 0 19.57 3.25 4 -5 0 21.15 3.40 4 -5 0 16.95 2.82 4 5 0 20.68 3.01 4 5 1 44.43 4.60 4 5 1 37.34 4.55 4 -5 1 36.67 4.03 -4 5 1 39.91 4.70 4 -5 1 36.86 4.55 4 5 2 2.64 1.23 4 5 2 0.61 0.74 4 -5 2 0.01 0.82 4 -5 2 0.04 0.88 4 -5 3 14.05 2.55 4 5 3 8.48 2.13 4 5 3 10.68 2.65 4 -5 3 10.70 2.40 4 5 4 51.28 5.31 4 -5 4 54.29 4.89 4 5 4 56.67 5.61 4 -5 4 48.28 5.08 4 -5 5 14.06 2.62 4 5 5 13.73 2.85 4 5 5 10.59 2.62 4 -5 5 12.29 2.46 4 -5 6 5.90 1.76 4 -5 6 6.53 1.89 4 5 6 7.48 2.15 4 5 6 6.88 2.11 4 5 7 16.10 3.11 4 5 7 20.65 3.75 4 -5 7 16.51 2.89 4 -5 7 16.19 2.98 4 5 8 14.04 2.78 4 -5 8 12.28 2.31 4 5 8 10.72 2.42 4 -5 8 9.80 2.03 4 5 9 14.72 2.60 4 -5 9 29.12 3.72 4 5 9 21.85 3.84 4 -5 9 26.22 3.85 4 5 10 34.21 4.55 4 5 10 30.09 4.42 4 -5 10 35.33 4.38 4 -5 11 1.68 0.66 4 5 11 3.52 1.85 4 5 11 2.90 2.02 4 -5 12 65.50 6.10 4 5 12 55.70 5.90 4 5 12 55.39 6.13 4 5 13 49.92 5.92 4 5 13 55.03 5.87 4 -5 13 54.17 5.42 4 -5 14 2.74 1.64 4 5 14 1.75 1.55 4 5 14 3.56 1.16 4 5 15 67.45 6.77 4 5 15 67.85 7.03 4 -5 15 63.80 6.08 4 5 16 34.75 5.03 -4 5 16 51.97 6.14 4 5 16 48.67 5.97 4 5 17 38.70 5.41 -4 5 17 39.51 5.74 4 5 17 39.36 5.52 -4 5 18 14.26 3.55 4 5 18 17.48 3.73 4 5 18 11.44 3.39 4 5 19 3.72 2.57 4 5 19 1.46 1.47 4 5 20 8.03 2.88 -4 5 20 3.33 1.87 -4 5 21 0.85 1.41 4 5 21 -0.78 1.82 4 5 22 5.97 2.33 -4 5 22 2.88 1.79 -4 5 22 5.68 2.42 4 5 23 0.86 1.01 -4 5 23 3.91 1.86 4 5 24 6.52 3.16 4 5 25 1.72 2.46 4 5 26 -1.42 2.18 4 5 27 3.34 1.77 4 -6 -26 9.21 2.95 -4 -6 -26 6.42 3.02 -4 -6 -25 1.74 1.04 4 -6 -25 2.00 1.56 -4 -6 -24 6.27 3.11 4 -6 -24 8.83 3.08 -4 -6 -23 20.17 4.73 4 -6 -23 13.98 3.68 -4 -6 -22 13.08 4.01 4 -6 -22 10.30 3.10 4 -6 -21 33.35 5.57 -4 -6 -21 28.72 5.29 -4 -6 -20 57.60 7.17 4 -6 -20 54.81 7.17 4 -6 -19 2.27 2.31 -4 -6 -19 5.48 2.27 -4 -6 -18 1.80 1.15 4 -6 -18 4.25 1.77 4 -6 -18 6.61 2.67 -4 -6 -17 42.68 6.06 4 -6 -17 44.26 5.86 4 -6 -17 32.24 5.21 4 -6 -16 11.79 3.55 4 -6 -16 8.32 2.49 -4 -6 -16 8.44 2.78 4 -6 -15 227.91 13.26 -4 -6 -15 220.17 12.93 4 -6 -15 198.79 12.39 4 6 -15 198.77 11.96 4 -6 -14 58.80 6.58 4 -6 -14 60.28 6.93 -4 -6 -14 48.15 6.15 4 6 -14 58.32 6.60 4 -6 -13 5.66 2.40 -4 -6 -13 13.76 3.43 4 6 -13 10.77 2.86 4 -6 -13 8.14 2.90 -4 -6 -12 16.11 3.54 4 6 -12 16.55 3.66 4 -6 -12 21.08 4.21 4 -6 -12 12.34 3.33 4 6 -11 229.22 12.34 -4 -6 -11 228.71 12.38 4 -6 -11 239.77 12.99 4 -6 -11 243.12 13.43 4 6 -10 45.64 5.76 -4 6 -10 52.36 5.74 -4 -6 -10 58.78 6.08 4 -6 -10 47.36 5.62 4 -6 -10 58.73 6.71 4 6 -9 93.74 7.88 -4 6 -9 89.54 7.40 -4 -6 -9 103.58 7.81 4 -6 -9 96.88 7.91 4 -6 -9 95.45 8.41 4 6 -8 24.59 3.62 -4 6 -8 20.99 3.68 -4 -6 -8 26.46 3.82 4 -6 -8 29.21 4.44 4 -6 -8 23.39 3.87 4 6 -8 22.74 4.04 4 6 -7 5.73 1.93 4 6 -7 8.19 2.43 4 -6 -7 10.21 2.52 -4 -6 -7 10.84 2.52 4 -6 -7 7.47 2.11 -4 6 -7 11.90 2.89 4 6 -6 98.10 7.91 -4 6 -6 78.56 6.91 -4 -6 -6 99.75 6.98 4 -6 -6 85.71 7.78 4 -6 -6 85.52 7.21 4 6 -6 83.40 6.36 4 6 -5 143.97 9.61 -4 -6 -5 139.92 8.03 4 6 -5 137.92 8.36 4 -6 -5 145.36 9.90 -4 6 -5 142.18 9.23 4 -6 -5 134.24 8.90 4 -6 -4 3.84 2.14 4 6 -4 4.35 1.93 -4 -6 -4 3.25 1.20 4 6 -4 3.03 1.27 -4 6 -4 6.94 2.17 4 -6 -4 4.48 2.18 4 -6 -3 81.58 7.40 4 6 -3 79.92 6.95 -4 6 -3 80.64 7.05 4 -6 -3 72.89 6.41 4 6 -3 69.34 6.00 -4 6 -2 10.51 2.58 4 6 -2 12.51 2.34 4 -6 -2 16.21 2.98 4 6 -2 10.24 2.77 4 -6 -2 9.69 2.65 -4 6 -1 94.67 7.66 4 6 -1 83.16 7.14 4 6 -1 91.44 7.15 4 -6 -1 84.65 6.55 4 -6 -1 88.12 7.39 4 6 0 116.54 8.56 -4 6 0 102.62 7.84 4 -6 0 130.06 8.15 4 6 0 118.74 8.30 4 -6 0 106.45 8.18 -4 6 1 89.21 7.55 4 6 1 81.47 7.27 4 6 1 74.78 6.56 4 -6 1 85.05 6.53 4 -6 1 90.41 7.47 4 -6 2 8.84 2.37 -4 6 2 12.65 3.12 4 6 2 16.86 3.12 4 -6 2 12.19 2.57 4 6 2 9.85 2.23 4 6 3 89.10 7.68 -4 6 3 75.82 7.00 4 6 3 76.46 6.92 4 -6 3 81.96 7.21 4 -6 3 71.67 6.04 4 6 4 -0.18 0.75 4 -6 4 5.48 2.28 -4 6 4 8.43 2.48 4 6 4 1.57 1.38 4 -6 4 3.45 1.07 4 6 5 155.94 10.07 4 6 5 142.47 9.39 -4 6 5 153.56 10.07 4 -6 5 135.44 8.25 4 -6 5 166.34 9.83 4 6 6 76.99 7.16 -4 6 6 80.01 7.23 4 -6 6 90.00 6.80 4 6 6 97.01 7.98 4 -6 6 88.15 7.28 -4 6 7 8.85 2.82 4 6 7 6.23 2.67 4 6 7 11.78 3.01 4 -6 7 6.45 2.19 4 -6 7 3.98 1.60 -4 6 8 25.91 4.18 4 6 8 25.51 4.12 4 6 8 20.81 3.51 4 -6 8 20.26 3.23 4 -6 8 26.25 3.90 4 -6 9 97.52 7.75 4 6 9 93.43 8.18 4 6 9 100.38 8.47 -4 6 9 104.81 8.65 4 -6 9 82.25 6.71 4 6 10 43.50 5.58 4 6 10 47.51 5.60 4 -6 10 47.33 5.21 -4 6 10 47.20 5.81 4 -6 10 43.35 4.87 4 6 11 221.47 12.63 4 6 11 217.38 12.64 4 -6 11 215.24 11.00 -4 6 11 228.11 12.96 4 -6 11 223.56 11.79 4 -6 12 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4.42 -4 7 6 11.13 2.65 4 -7 6 7.08 2.19 4 -7 6 12.07 2.96 4 7 6 19.27 3.64 4 7 7 1.15 1.07 4 7 7 -0.82 0.81 -4 7 7 1.70 1.01 4 -7 7 1.33 1.26 4 7 8 40.87 5.56 4 7 8 47.83 6.10 -4 7 8 46.26 5.88 4 -7 8 41.11 5.42 4 7 9 1.97 2.01 4 7 9 -0.52 1.08 -4 7 9 3.02 2.14 4 -7 9 1.33 1.37 4 7 10 41.24 5.91 4 7 10 48.07 6.12 -4 7 10 50.69 6.39 4 -7 10 56.39 6.05 4 -7 11 15.53 3.29 4 7 11 16.67 4.21 -4 7 11 18.61 3.88 4 -7 12 1.06 0.89 4 7 12 1.12 0.64 4 7 12 3.19 2.49 -4 7 12 1.62 1.22 4 7 13 28.30 4.95 -4 7 13 26.98 4.46 4 7 13 22.84 4.07 4 7 14 2.52 1.34 4 7 14 4.00 1.32 4 7 15 3.47 2.07 4 7 15 4.94 2.80 -4 7 15 0.15 1.46 4 7 16 9.51 2.63 -4 7 16 11.76 3.38 4 7 16 3.95 2.87 4 7 17 6.83 3.13 -4 7 17 1.54 1.33 4 7 17 5.37 2.38 4 7 18 21.20 4.81 4 7 18 13.90 3.39 -4 7 18 17.14 4.33 -4 7 19 19.67 4.70 4 7 19 15.33 3.83 4 7 19 11.73 3.45 -4 7 20 10.46 3.32 4 7 20 8.06 2.99 4 7 21 -0.17 1.04 -4 7 21 0.45 1.39 4 7 22 1.17 0.98 -4 7 22 3.09 2.79 -4 7 22 -0.01 1.98 -4 7 23 2.89 2.72 -4 7 23 1.95 1.58 4 7 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4.49 5 7 -6 22.81 3.85 -5 7 -6 25.49 4.20 5 7 -5 51.78 5.76 -5 7 -5 46.43 5.76 5 7 -5 50.82 6.23 5 -7 -5 67.72 6.87 5 -7 -5 47.08 5.91 5 7 -4 23.50 4.32 5 7 -4 20.34 3.49 -5 7 -4 16.24 3.50 5 -7 -4 17.94 3.84 5 -7 -4 21.88 4.19 5 -7 -3 4.10 2.29 -5 7 -3 6.00 2.15 5 7 -3 2.42 1.51 5 7 -3 2.22 1.66 5 -7 -3 7.52 2.96 -5 7 -2 28.53 4.68 5 -7 -2 25.25 4.31 5 7 -2 23.03 4.11 5 -7 -2 30.48 4.39 5 7 -2 16.71 3.30 5 -7 -1 50.01 5.81 5 7 -1 61.53 6.73 5 7 -1 46.48 5.68 -5 7 -1 43.81 5.75 5 -7 -1 55.34 5.79 5 7 0 10.51 2.97 5 7 0 8.00 2.56 5 -7 0 6.57 2.32 -5 7 0 6.19 2.17 5 -7 0 4.62 2.56 5 7 1 58.40 6.38 5 7 1 51.65 5.97 -5 7 1 48.99 6.01 5 -7 1 49.33 5.55 5 -7 1 52.14 6.15 5 7 2 22.60 4.15 -5 7 2 15.69 3.38 5 -7 2 16.34 3.38 5 7 2 17.52 3.37 5 -7 2 20.94 4.07 5 7 3 2.49 1.82 -5 7 3 2.56 1.59 5 -7 3 2.85 2.02 5 7 3 2.39 1.51 5 -7 3 4.65 1.67 5 -7 4 19.28 3.93 5 7 4 13.52 3.26 5 7 4 22.29 4.31 -5 7 4 16.79 3.94 5 -7 4 11.27 2.63 5 7 5 57.49 6.68 5 7 5 63.94 6.76 -5 7 5 50.68 6.07 5 -7 5 43.26 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6 4 -5 286.57 10.38 6 -4 -5 307.92 13.11 6 4 -5 285.35 7.01 6 -4 -5 281.65 12.62 6 -4 -4 1.92 1.43 6 4 -4 -0.55 0.66 6 4 -4 1.31 0.52 6 -4 -4 1.17 0.61 6 4 -4 0.54 0.58 6 4 -3 115.42 7.80 6 -4 -3 114.40 7.96 6 4 -3 118.37 5.02 6 -4 -3 115.39 8.11 6 4 -3 107.80 6.67 6 4 -2 68.63 5.90 6 -4 -2 68.99 6.10 6 -4 -2 66.84 5.93 6 4 -2 64.09 5.21 6 -4 -1 46.32 4.89 6 4 -1 49.47 4.93 6 4 -1 48.87 4.69 6 -4 -1 44.86 5.02 6 4 0 72.02 6.16 6 -4 0 68.47 5.83 6 4 0 67.47 5.52 6 -4 0 68.50 6.13 6 -4 1 52.93 5.22 6 4 1 57.40 5.44 6 -4 1 52.31 5.04 6 4 1 50.19 4.88 6 -4 2 59.31 5.63 6 4 2 68.61 6.03 6 -4 2 65.95 5.69 6 4 2 65.90 5.60 6 -4 3 121.37 7.97 6 4 3 112.30 7.72 6 -4 3 120.08 7.78 6 4 3 119.40 7.77 6 4 4 0.82 1.21 6 -4 4 -0.18 0.88 6 -4 4 1.24 0.99 6 4 4 2.19 1.41 6 4 5 268.73 11.97 6 -4 5 275.22 12.22 6 -4 5 296.00 12.38 6 4 5 275.11 12.01 6 -4 6 48.72 5.16 6 4 6 40.76 4.64 6 -4 6 42.62 4.69 6 4 6 41.83 4.72 6 -4 7 17.10 3.11 6 4 7 12.12 2.47 6 -4 8 268.91 12.31 6 4 8 284.57 12.40 6 4 8 296.46 13.03 6 4 9 58.50 5.73 6 -4 9 55.94 5.61 6 4 9 73.45 6.60 6 4 10 20.79 3.46 6 -4 10 21.19 3.52 6 4 10 15.85 3.17 6 4 11 71.01 6.81 6 4 11 82.67 6.91 6 -4 11 77.12 6.61 6 4 12 201.75 10.82 6 -4 12 196.88 10.79 6 4 12 220.66 12.14 6 4 13 35.21 4.44 6 -4 13 44.36 5.18 6 4 13 39.78 5.18 6 4 14 6.45 1.89 6 -4 14 4.43 1.77 6 4 15 19.77 3.51 6 -4 15 17.54 3.34 6 4 15 20.31 3.63 6 4 16 13.02 3.00 6 4 16 17.86 3.45 6 -4 16 18.96 3.44 6 4 17 28.58 4.37 6 -4 17 23.08 3.89 6 4 17 22.99 4.15 6 4 18 124.28 9.86 6 4 19 1.27 1.49 6 4 20 10.07 2.81 6 4 21 19.82 4.15 6 4 22 12.22 3.47 6 4 23 7.80 3.31 6 4 24 21.47 4.20 6 4 25 2.02 1.75 6 4 26 2.90 1.91 6 4 27 4.38 3.37 6 -5 -26 3.78 2.14 6 -5 -25 7.41 3.48 6 -5 -24 1.58 2.10 6 -5 -23 0.46 1.69 6 -5 -22 10.16 2.70 6 -5 -21 6.20 2.67 6 -5 -21 4.00 1.91 6 -5 -20 1.34 1.99 6 -5 -20 -1.65 2.04 6 -5 -19 -0.13 1.62 6 -5 -19 2.41 1.95 6 -5 -18 2.35 1.07 6 -5 -18 8.34 3.18 6 -5 -17 7.56 2.84 6 -5 -17 14.15 3.28 6 5 -16 7.34 2.45 6 -5 -16 4.85 2.43 6 -5 -16 2.35 1.67 6 5 -15 11.16 2.89 6 -5 -15 11.77 3.24 6 -5 -15 7.82 2.54 6 5 -14 4.66 2.10 6 -5 -14 9.60 2.94 6 -5 -14 10.48 2.95 6 -5 -13 36.92 5.47 6 -5 -13 34.69 5.20 6 5 -13 31.55 4.36 6 5 -12 5.19 2.38 6 -5 -12 3.79 2.61 6 -5 -12 3.31 1.92 6 5 -11 2.60 1.36 6 -5 -11 2.69 1.64 6 -5 -11 5.60 2.23 6 5 -10 4.85 1.72 -6 5 -10 3.69 1.37 6 -5 -10 3.43 1.59 6 -5 -10 3.27 1.59 6 -5 -9 16.73 3.53 -6 5 -9 18.40 3.03 6 5 -9 17.16 3.20 6 -5 -9 17.16 3.34 6 5 -8 16.72 3.27 6 -5 -8 14.04 3.23 6 5 -8 16.97 2.77 6 -5 -8 12.44 2.96 -6 5 -8 10.81 2.59 -6 5 -7 11.66 2.77 6 5 -7 6.00 2.23 6 5 -7 8.28 1.95 6 -5 -7 9.97 2.65 6 -5 -7 8.33 2.50 6 -5 -6 3.65 0.99 6 5 -6 4.60 1.93 6 -5 -6 4.20 1.62 6 5 -6 5.62 1.61 -6 5 -6 5.50 1.77 6 5 -5 20.16 3.76 6 -5 -5 15.22 3.23 6 5 -5 16.56 2.81 6 5 -4 42.95 5.21 6 -5 -4 40.57 4.85 6 5 -4 41.74 4.55 6 -5 -4 44.58 5.19 6 5 -3 48.82 5.49 6 -5 -3 53.33 5.54 6 5 -3 42.74 4.67 6 -5 -3 39.26 4.84 6 5 -2 28.21 4.08 6 -5 -2 29.21 4.05 6 5 -2 32.47 4.02 6 -5 -2 36.02 4.61 6 -5 -1 14.82 3.31 6 -5 -1 7.47 2.14 6 5 -1 9.01 2.26 6 5 -1 9.16 2.41 6 -5 0 9.76 2.68 6 5 0 7.51 1.87 6 5 0 15.35 3.08 6 -5 0 10.81 2.56 6 -5 1 11.08 3.12 6 5 1 7.76 2.27 6 5 1 8.41 2.17 6 -5 1 10.10 2.44 6 5 2 38.08 4.77 6 5 2 25.23 3.78 6 -5 2 32.19 4.25 6 -5 2 35.95 4.70 6 5 3 50.47 5.41 6 5 3 46.30 5.15 6 -5 3 40.36 4.82 6 -5 3 48.79 5.29 6 -5 4 38.50 4.83 6 5 4 38.69 5.02 6 -5 4 38.88 4.67 6 5 4 32.86 4.26 6 5 5 20.90 3.49 6 -5 5 26.16 3.90 6 5 5 28.42 4.15 6 -5 5 24.57 3.72 6 -5 6 2.24 0.78 6 5 6 6.41 2.18 6 5 6 6.57 1.81 6 -5 6 7.85 2.17 6 5 7 10.34 2.54 6 -5 7 5.31 1.93 6 5 7 11.44 2.99 6 -5 7 6.23 2.12 6 -5 8 15.31 3.16 6 5 8 15.21 3.42 6 -5 8 14.03 2.89 6 5 8 16.99 3.37 6 -5 9 12.50 2.36 6 5 9 19.74 3.63 6 -5 9 15.67 3.42 6 5 9 18.89 3.58 6 5 10 3.29 1.71 6 -5 10 5.54 1.12 6 5 10 4.49 1.72 6 5 11 1.77 0.77 6 -5 11 5.47 2.03 6 5 11 9.13 2.94 6 5 12 2.92 1.50 6 5 12 3.53 1.89 6 -5 12 3.94 1.88 6 -5 13 41.53 5.32 6 5 13 40.43 5.03 6 5 13 29.50 4.45 6 5 14 11.40 2.52 6 -5 14 7.98 2.71 6 5 14 10.41 2.89 6 5 15 5.67 1.98 6 5 15 6.72 2.37 6 -5 15 9.26 3.03 6 5 16 4.43 1.63 6 -5 16 4.52 2.02 6 5 16 7.35 2.97 6 5 17 16.94 3.70 6 5 17 11.47 3.24 6 5 18 3.56 1.67 6 5 18 5.95 1.77 6 5 19 1.19 1.59 6 5 20 2.92 1.08 6 5 21 8.25 3.10 6 5 22 3.57 1.87 -6 5 22 3.24 1.61 6 5 23 1.17 1.95 -6 5 23 0.03 1.62 6 5 24 0.36 1.74 6 5 25 9.71 3.57 6 5 26 5.58 3.35 6 -6 -25 9.32 3.89 6 -6 -24 21.95 4.82 6 -6 -23 -0.40 1.06 6 -6 -22 37.67 6.06 6 -6 -21 20.45 4.56 6 -6 -21 17.31 4.12 6 -6 -20 -0.29 1.15 6 -6 -20 -0.68 1.24 6 -6 -19 7.79 3.28 6 -6 -19 5.13 2.60 6 -6 -18 72.25 8.19 6 -6 -18 83.52 8.56 6 -6 -17 10.02 3.15 6 -6 -17 14.98 3.86 6 6 -16 1.33 1.80 6 -6 -16 -1.95 2.07 6 -6 -16 -0.60 0.77 6 6 -15 6.75 2.69 6 -6 -15 3.90 2.16 6 -6 -15 1.07 1.49 6 6 -14 -0.11 1.47 6 -6 -14 0.45 1.67 6 -6 -14 -0.90 1.47 6 6 -13 5.50 2.34 6 -6 -13 10.42 3.19 6 -6 -13 4.43 1.96 6 6 -12 77.97 7.50 6 -6 -12 66.12 7.19 6 -6 -12 74.91 7.79 6 6 -11 24.12 4.31 6 -6 -11 19.87 4.32 6 -6 -11 15.82 3.14 6 6 -10 0.79 0.98 6 -6 -10 2.10 1.95 -6 6 -10 4.15 1.86 6 -6 -10 1.22 0.66 6 6 -9 19.16 3.85 -6 6 -9 13.22 3.12 6 -6 -9 17.08 3.30 6 -6 -9 11.03 3.31 6 6 -8 199.44 11.90 6 -6 -8 196.51 12.02 -6 6 -8 212.15 11.67 6 -6 -8 193.35 11.72 6 6 -7 36.86 4.97 -6 6 -7 28.19 4.38 6 6 -7 33.75 4.27 6 -6 -7 45.52 5.98 6 -6 -7 32.11 4.89 -6 6 -6 0.25 0.97 6 6 -6 1.94 1.90 6 -6 -6 -0.33 1.13 6 6 -6 -0.10 0.78 6 -6 -6 1.03 1.39 6 6 -5 30.48 4.48 -6 6 -5 24.00 3.88 6 -6 -5 27.48 4.31 6 -6 -5 19.91 3.92 6 6 -5 30.94 4.21 6 6 -4 96.59 8.12 -6 6 -4 102.44 8.13 6 -6 -4 86.09 7.93 6 -6 -4 104.35 8.12 6 6 -4 103.48 7.48 6 -6 -3 0.96 0.70 6 6 -3 0.60 1.03 6 6 -3 1.01 1.13 6 -6 -3 3.79 1.80 -6 6 -3 4.04 2.33 6 6 -2 167.23 9.90 6 6 -2 181.79 11.20 -6 6 -2 179.78 10.87 6 -6 -2 153.68 9.82 6 -6 -2 164.13 10.72 6 6 -1 30.07 4.54 -6 6 -1 38.59 5.07 6 -6 -1 47.47 5.64 6 6 -1 35.31 4.65 6 -6 -1 27.86 4.24 6 -6 0 1.85 2.05 6 6 0 1.94 1.03 6 6 0 3.13 1.63 6 -6 0 1.11 0.93 6 6 1 30.36 4.41 6 6 1 33.16 4.53 6 -6 1 30.70 4.34 6 -6 1 34.57 5.04 6 6 2 194.30 11.02 6 6 2 182.52 11.04 6 -6 2 175.39 10.43 6 -6 2 174.78 10.74 6 6 3 1.43 2.24 6 6 3 1.94 1.95 6 -6 3 2.70 1.38 6 -6 3 2.25 1.71 6 6 4 112.00 8.64 6 6 4 89.06 7.88 6 -6 4 89.62 7.62 6 -6 4 101.22 8.23 6 6 5 31.21 4.62 6 -6 5 21.29 3.68 6 6 5 25.61 4.24 6 -6 5 26.09 4.10 6 -6 6 0.86 1.78 6 6 6 2.14 0.91 6 6 6 0.28 0.94 6 -6 6 0.10 1.22 6 6 7 34.77 5.07 6 6 7 38.62 5.43 6 -6 7 30.57 4.47 6 -6 7 33.73 4.74 6 6 8 197.61 11.92 6 -6 8 198.93 11.41 6 -6 8 200.93 11.73 6 6 8 202.80 11.97 6 -6 9 18.57 3.44 6 6 9 17.07 3.71 6 6 9 15.45 3.33 6 -6 9 21.79 3.74 6 -6 10 1.55 1.53 6 6 10 4.82 2.02 6 6 10 1.58 1.12 6 -6 10 1.20 1.33 6 -6 11 19.00 3.68 6 6 11 12.66 3.27 6 6 11 17.44 3.64 6 -6 11 13.64 3.37 6 6 12 77.76 7.83 6 6 12 69.77 7.20 6 -6 12 76.71 7.43 6 -6 12 72.96 7.30 6 -6 13 12.31 3.24 6 6 13 9.26 2.85 6 -6 13 10.36 2.68 6 6 13 8.92 3.13 6 6 14 3.11 2.06 6 -6 14 -0.61 1.53 6 6 14 1.60 1.68 6 6 15 9.38 2.96 6 -6 15 6.82 2.52 6 6 15 3.44 1.45 6 6 16 -0.61 1.37 6 6 16 0.68 1.86 6 6 17 5.85 2.27 6 6 17 13.05 3.31 -6 6 17 10.82 3.30 6 6 18 78.02 8.58 -6 6 18 80.24 8.53 6 6 18 83.36 8.70 -6 6 19 3.30 2.23 6 6 19 3.87 2.18 -6 6 20 1.84 2.35 6 6 20 1.08 1.26 -6 6 21 20.12 4.55 6 6 21 19.11 4.23 -6 6 22 50.36 7.57 6 6 22 42.93 6.65 -6 6 23 6.07 2.83 6 6 23 5.29 2.10 6 6 24 16.40 3.54 6 6 25 4.11 1.69 6 -7 -23 4.37 3.14 6 -7 -22 -0.60 1.57 6 -7 -21 19.66 4.49 6 -7 -20 7.64 3.06 6 -7 -20 8.10 2.87 6 -7 -19 9.84 3.20 6 -7 -19 9.43 2.64 6 -7 -18 17.79 3.93 6 -7 -18 22.65 4.97 6 -7 -17 5.23 3.12 6 -7 -17 -1.91 1.42 6 -7 -16 7.81 3.29 6 -7 -16 12.20 3.99 6 7 -15 8.22 2.29 6 -7 -15 5.26 2.18 6 7 -14 3.16 2.01 6 -7 -14 7.30 2.76 6 -7 -14 2.32 2.20 6 -7 -13 18.97 4.03 6 7 -13 26.98 4.44 6 -7 -13 17.62 3.86 6 7 -12 5.99 2.99 6 -7 -12 2.69 0.99 6 -7 -12 5.12 1.85 6 -7 -11 6.25 2.55 6 7 -11 6.66 2.22 6 -7 -11 7.23 2.83 6 7 -10 16.39 3.98 6 -7 -10 22.44 4.58 6 -7 -10 19.90 4.37 6 -7 -9 1.73 1.49 6 7 -9 1.88 2.17 -6 7 -9 4.68 2.56 6 -7 -9 3.10 1.66 6 7 -8 38.51 5.62 -6 7 -8 33.78 4.99 6 -7 -8 36.51 5.32 6 -7 -8 45.10 6.11 6 7 -7 7.90 2.57 -6 7 -7 7.09 2.38 6 -7 -7 11.32 3.05 6 -7 -7 7.56 3.35 6 7 -6 -0.26 1.15 6 7 -6 3.34 1.69 -6 7 -6 3.66 1.88 6 -7 -6 4.79 1.76 6 -7 -6 3.12 1.58 6 7 -5 9.30 2.66 6 7 -5 11.48 2.73 6 -7 -5 12.64 3.07 -6 7 -5 8.11 2.67 6 -7 -5 9.88 3.06 6 7 -4 52.32 6.36 6 -7 -4 42.02 5.75 -6 7 -4 53.54 6.15 6 -7 -4 62.46 6.95 6 7 -4 43.26 5.20 6 -7 -3 24.05 4.10 6 7 -3 22.83 4.35 -6 7 -3 18.27 3.53 6 -7 -3 16.90 3.70 6 7 -3 22.05 3.74 6 7 -2 70.71 6.83 6 -7 -2 67.97 6.82 6 7 -2 63.74 7.11 -6 7 -2 61.11 6.81 6 -7 -2 61.64 6.95 6 7 -1 12.18 2.72 6 7 -1 9.07 2.89 6 -7 -1 10.64 2.67 6 -7 -1 8.25 2.53 -6 7 -1 6.51 2.35 6 -7 0 3.12 2.01 6 7 0 2.23 1.66 -6 7 0 2.06 1.97 6 7 0 2.88 1.81 6 -7 0 0.57 1.83 6 -7 1 5.14 1.92 -6 7 1 10.68 3.12 6 7 1 7.98 2.94 6 -7 1 5.69 2.09 6 7 1 7.46 2.18 6 7 2 67.07 7.15 -6 7 2 60.49 6.79 6 -7 2 70.72 7.04 6 7 2 67.90 6.75 6 -7 2 71.19 7.39 6 -7 3 17.07 3.66 6 7 3 24.99 4.16 6 7 3 21.88 4.60 -6 7 3 19.71 4.08 6 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1.70 2.82 -6 7 17 5.19 2.10 6 7 18 14.44 3.84 -6 7 18 21.40 4.88 6 7 18 17.38 3.76 -6 7 19 9.12 2.84 6 7 19 4.87 2.33 -6 7 20 6.36 1.94 6 7 20 7.09 2.86 -6 7 21 14.02 3.73 6 7 21 17.70 4.15 -6 7 22 1.85 1.26 6 7 22 1.97 1.74 6 7 23 4.26 2.14 -6 7 23 4.05 3.03 6 -8 -21 3.85 2.55 6 -8 -20 5.90 2.27 6 -8 -20 3.54 2.64 6 -8 -19 13.78 4.27 6 -8 -19 9.95 3.70 6 -8 -18 18.09 4.39 6 -8 -18 26.71 5.24 6 -8 -17 7.91 3.30 6 -8 -17 2.39 1.07 6 -8 -16 11.14 2.82 6 -8 -16 3.61 1.92 6 -8 -15 11.35 3.82 6 -8 -15 15.48 4.27 6 8 -14 19.83 4.35 6 -8 -14 15.45 3.49 6 -8 -14 12.96 3.63 6 8 -13 23.57 4.53 6 -8 -13 16.45 3.96 6 8 -12 33.68 5.27 6 -8 -12 24.27 4.77 6 -8 -12 26.17 4.82 6 8 -11 14.94 4.05 6 -8 -11 19.74 4.14 6 -8 -11 16.98 3.84 6 8 -10 5.14 2.36 6 -8 -10 9.04 2.87 6 8 -9 4.59 2.18 -6 8 -9 10.01 3.64 6 -8 -9 8.45 1.96 6 -8 -9 11.48 3.24 -6 8 -8 54.62 6.83 6 -8 -8 54.50 6.97 6 -8 -8 44.75 6.19 -6 8 -7 20.75 4.13 6 8 -7 19.44 4.11 6 -8 -7 23.27 4.43 6 -8 -7 21.80 4.29 6 8 -6 9.41 3.33 -6 8 -6 8.18 2.84 6 -8 -6 4.36 1.68 6 -8 -6 8.58 2.65 -6 8 -5 14.99 3.53 6 8 -5 24.19 4.73 6 -8 -5 18.12 4.25 6 -8 -5 21.00 4.29 6 8 -4 33.00 5.26 6 8 -4 22.55 3.98 -6 8 -4 19.75 4.06 6 -8 -4 20.39 4.00 6 -8 -4 30.32 4.86 6 8 -3 1.02 0.78 6 8 -3 1.83 1.61 6 -8 -3 0.65 1.08 -6 8 -3 2.46 1.74 6 -8 -3 1.82 2.23 6 8 -2 34.38 5.22 6 8 -2 34.15 5.04 -6 8 -2 41.67 5.78 6 -8 -2 33.31 5.12 6 -8 -2 37.52 5.52 -6 8 -1 8.72 2.89 6 8 -1 10.93 3.07 6 8 -1 11.62 3.08 6 -8 -1 3.46 1.42 6 -8 -1 8.80 3.09 -6 8 0 1.69 1.64 6 8 0 0.79 1.16 6 -8 0 -0.01 1.87 6 8 0 0.47 1.42 6 -8 0 0.09 1.07 6 8 1 8.46 2.52 6 8 1 8.22 2.69 -6 8 1 8.03 2.77 6 -8 1 8.15 2.80 6 -8 1 10.96 2.98 6 8 2 38.66 5.60 6 8 2 36.79 5.42 -6 8 2 35.36 5.72 6 -8 2 32.54 5.00 6 -8 2 31.64 5.00 6 8 3 2.31 1.55 6 8 3 1.83 1.61 6 -8 3 0.14 1.04 -6 8 3 2.64 1.98 6 -8 3 3.16 1.97 6 8 4 21.47 4.07 6 8 4 28.28 5.00 6 -8 4 28.33 4.86 -6 8 4 23.09 4.49 6 8 5 13.80 3.39 -6 8 5 12.38 3.26 6 8 5 13.66 3.58 6 -8 5 12.99 3.63 6 8 6 5.53 1.24 -6 8 6 9.55 3.02 6 8 6 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35.47 4.48 7 3 -5 41.84 3.58 7 -3 -5 33.09 4.36 7 3 -5 32.62 4.02 7 3 -4 2.81 0.81 7 -3 -4 1.13 1.02 7 -3 -4 4.61 1.62 7 3 -4 2.85 1.27 7 3 -4 2.89 0.99 7 -3 -3 18.42 3.08 7 3 -3 16.61 2.72 7 3 -3 18.34 2.62 7 -3 -3 21.64 3.56 7 3 -3 15.62 2.20 7 3 -2 652.96 18.15 7 -3 -2 644.40 18.22 7 3 -2 662.13 16.42 7 -3 -2 614.84 18.11 7 3 -2 638.79 14.48 7 3 -1 18.80 3.05 7 -3 -1 17.61 3.05 7 3 -1 16.39 2.57 7 -3 -1 15.61 3.11 7 3 0 -0.06 0.80 7 -3 0 1.64 0.92 7 3 0 0.47 1.03 7 -3 0 0.37 0.56 7 -3 1 15.94 2.91 7 -3 1 19.09 3.18 7 3 1 23.05 3.19 7 3 1 15.23 2.63 7 -3 2 619.92 17.91 7 3 2 685.75 18.19 7 -3 2 658.35 18.30 7 3 2 643.73 17.29 7 3 3 22.60 3.35 7 -3 3 21.11 3.28 7 3 3 23.03 3.47 7 -3 3 18.50 3.10 7 3 4 0.61 0.51 7 3 4 3.08 1.15 7 -3 4 1.19 0.70 7 -3 4 2.22 1.00 7 3 5 39.99 4.37 7 -3 5 37.63 4.34 7 3 5 49.72 5.00 7 3 6 385.27 13.69 7 -3 6 367.52 13.91 7 3 6 371.24 14.00 7 3 7 14.57 2.71 7 -3 7 15.28 2.93 7 3 7 17.21 3.14 7 3 8 568.83 16.74 7 -3 8 590.14 17.83 7 3 8 568.65 17.81 7 3 9 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3.26 7 -4 -15 27.51 4.55 7 -4 -15 27.11 4.78 7 4 -15 26.72 4.22 7 -4 -14 52.00 5.99 7 -4 -14 58.34 6.49 7 4 -14 50.17 5.71 7 -4 -13 51.22 6.14 7 -4 -13 49.19 5.87 7 4 -13 54.41 6.03 7 4 -12 12.42 3.25 7 -4 -12 16.85 3.65 7 -4 -12 19.27 3.61 7 -4 -11 112.41 8.54 7 -4 -11 114.17 8.65 7 4 -11 122.01 8.68 7 -4 -10 18.17 3.42 7 -4 -10 20.56 3.45 7 4 -10 14.48 3.49 7 -4 -9 3.45 1.49 7 4 -9 5.21 2.41 7 -4 -9 1.80 1.41 7 4 -8 39.59 3.74 7 -4 -8 38.57 4.86 7 -4 -8 43.11 5.13 7 4 -8 51.86 5.49 7 4 -7 293.75 13.05 7 -4 -7 283.11 13.36 7 4 -7 305.04 10.74 7 -4 -7 289.37 13.34 7 4 -6 23.06 3.75 7 4 -6 22.24 3.12 7 -4 -6 30.42 4.38 7 -4 -6 28.75 4.53 7 4 -6 15.41 1.95 7 4 -5 2.49 1.51 7 -4 -5 3.57 1.61 7 -4 -5 2.13 0.94 7 4 -5 1.15 0.71 7 4 -5 1.79 0.70 7 4 -4 4.21 1.41 7 4 -4 4.02 1.36 7 -4 -4 4.18 1.83 7 -4 -4 1.47 1.15 7 4 -4 2.90 0.90 7 4 -3 41.93 4.92 7 4 -3 46.63 4.63 7 -4 -3 50.22 5.26 7 4 -3 38.54 3.37 7 -4 -3 39.02 4.76 7 4 -2 2.99 1.19 7 -4 -2 5.17 1.90 7 4 -2 3.91 1.60 7 -4 -2 1.14 1.48 7 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5.74 1.60 8 1 -5 6.54 1.74 8 1 -5 7.72 1.91 8 -1 -4 6.78 1.45 8 1 -4 8.69 2.19 8 1 -4 8.82 1.81 8 -1 -4 6.35 1.90 8 1 -4 6.38 1.85 8 -1 -3 27.67 3.52 8 -1 -3 23.10 3.47 8 1 -3 27.15 3.40 8 1 -3 35.75 3.99 8 1 -3 32.71 3.91 8 -1 -2 43.99 4.46 8 1 -2 49.61 4.56 8 -1 -2 53.17 5.02 8 1 -2 51.09 4.80 8 -1 -1 66.94 5.51 8 1 -1 56.07 4.88 8 1 -1 63.15 5.32 8 -1 -1 66.13 5.54 8 1 -1 64.80 5.26 8 1 0 2.12 0.99 8 1 0 1.81 0.93 8 -1 0 2.59 1.11 8 -1 0 2.54 0.65 8 -1 1 64.96 5.49 8 -1 1 76.13 6.01 8 1 1 59.61 5.18 8 1 1 57.07 4.89 8 -1 2 50.72 4.93 8 1 2 46.45 4.63 8 1 2 51.95 4.78 8 -1 3 30.60 3.78 8 1 3 29.40 3.70 8 1 3 31.16 3.54 8 1 4 9.98 2.01 8 -1 4 13.64 2.66 8 1 4 10.21 2.24 8 1 5 6.77 1.77 8 1 5 6.79 1.97 8 -1 5 7.14 2.04 8 1 6 10.77 2.00 8 1 6 10.35 2.36 8 -1 6 5.95 1.71 8 -1 7 42.94 4.77 8 1 7 43.54 4.24 8 1 7 37.38 4.36 8 -1 8 18.26 3.23 8 1 8 19.33 2.81 8 1 8 17.88 3.27 8 -1 9 14.58 2.95 8 1 9 7.45 2.11 8 1 9 12.69 2.39 8 1 10 14.85 2.53 8 -1 10 15.90 3.14 8 1 10 14.34 2.44 8 1 11 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-14 38.47 4.84 8 -2 -13 12.13 2.89 8 -2 -13 11.41 2.80 8 2 -13 16.53 3.19 8 2 -13 11.86 2.40 8 2 -12 94.14 7.06 8 -2 -12 98.78 8.05 8 -2 -12 104.34 7.63 8 2 -12 103.62 7.85 8 2 -11 146.73 8.50 8 -2 -11 153.08 9.86 8 -2 -11 150.05 9.15 8 2 -11 145.38 9.20 8 -2 -10 15.17 2.89 8 2 -10 21.98 2.76 8 -2 -10 18.59 3.37 8 2 -10 16.61 2.87 8 2 -10 20.33 3.36 8 -2 -9 66.52 6.34 8 2 -9 65.67 5.94 8 2 -9 71.17 4.97 8 2 -9 72.59 5.81 8 -2 -9 77.28 6.42 8 -2 -8 102.75 7.83 8 2 -8 105.40 6.19 8 2 -8 90.43 6.38 8 2 -8 94.77 7.17 8 -2 -8 96.74 7.15 8 -2 -7 70.95 6.09 8 2 -7 70.84 5.17 8 -2 -7 80.79 6.86 8 2 -7 71.78 5.61 8 2 -7 84.45 6.73 8 2 -6 12.49 2.60 8 2 -6 8.49 1.68 8 -2 -6 12.34 2.43 8 -2 -6 8.04 2.29 8 2 -6 4.79 1.42 8 2 -5 148.69 8.76 8 -2 -5 143.25 8.78 8 2 -5 144.60 7.51 8 -2 -5 144.09 8.91 8 2 -5 133.54 7.46 8 -2 -4 170.75 9.43 8 -2 -4 182.78 10.10 8 2 -4 171.92 8.40 8 2 -4 174.28 8.38 8 2 -4 178.78 9.41 8 -2 -3 163.30 9.11 8 -2 -3 149.27 8.97 8 2 -3 154.86 8.05 8 2 -3 151.65 7.87 8 2 -3 164.54 9.04 8 2 -2 272.72 11.38 8 -2 -2 258.68 11.46 8 -2 -2 269.45 11.98 8 2 -2 280.52 10.77 8 2 -2 260.73 10.57 8 -2 -1 255.74 11.33 8 -2 -1 264.89 11.92 8 2 -1 268.50 10.98 8 2 -1 272.29 11.46 8 -2 0 126.59 7.96 8 -2 0 125.68 8.11 8 2 0 115.23 7.49 8 2 0 127.63 7.60 8 2 1 253.84 11.14 8 -2 1 273.97 11.78 8 -2 1 246.03 11.24 8 2 1 267.50 11.20 8 2 2 264.96 11.45 8 -2 2 288.03 12.16 8 -2 2 259.48 11.78 8 2 2 272.84 11.38 8 2 3 156.72 8.71 8 -2 3 150.97 8.86 8 -2 3 161.33 9.21 8 2 3 132.15 7.76 8 2 4 165.36 9.20 8 -2 4 153.03 8.96 8 2 4 152.90 8.46 8 2 5 131.68 8.32 8 -2 5 144.78 8.59 8 2 5 159.20 8.49 8 -2 6 7.97 1.99 8 2 6 6.17 2.12 8 2 6 11.63 2.42 8 2 7 82.81 6.78 8 -2 7 77.34 6.44 8 2 7 73.21 5.75 8 2 8 92.02 7.29 8 -2 8 105.13 7.63 8 2 8 103.47 6.82 8 2 9 71.46 6.49 8 -2 9 67.91 6.28 8 2 9 71.64 5.71 8 2 10 21.99 3.83 8 -2 10 21.73 3.60 8 2 10 19.39 2.95 8 2 11 134.51 9.20 8 -2 11 145.56 9.48 8 2 11 163.84 8.73 8 2 12 102.35 8.09 8 -2 12 97.48 7.91 8 2 12 99.18 6.93 8 2 13 19.19 3.36 8 -2 13 14.00 3.06 8 2 13 14.95 2.68 8 2 14 36.64 5.08 8 -2 14 34.89 4.77 8 2 14 32.03 3.97 8 2 15 99.92 8.48 8 -2 15 97.55 7.99 8 2 15 79.97 6.10 8 2 16 49.80 6.08 8 -2 16 45.82 5.62 8 2 17 33.56 5.45 8 -2 17 29.43 4.52 8 2 18 49.58 6.37 8 -2 18 44.77 5.76 8 2 19 9.44 3.20 8 -2 19 12.02 2.69 8 2 20 4.33 2.02 8 -2 20 6.68 2.28 8 2 21 39.46 5.97 8 -2 21 54.16 6.64 8 2 22 18.72 3.88 8 2 23 5.16 2.65 8 2 24 27.97 5.50 8 2 25 9.35 3.48 8 2 26 6.77 2.63 8 -3 -27 -3.19 2.33 8 -3 -26 2.25 1.78 8 -3 -25 -0.54 2.05 8 -3 -24 0.30 1.86 8 -3 -23 0.59 1.07 8 -3 -22 2.13 2.02 8 -3 -21 1.36 1.43 8 -3 -20 3.24 2.12 8 -3 -19 1.73 0.86 8 3 -19 -0.11 1.57 8 -3 -18 6.32 2.95 8 3 -18 5.70 1.15 8 -3 -17 87.66 8.25 8 -3 -17 68.85 7.17 8 3 -17 76.43 7.37 8 -3 -16 51.57 6.40 8 -3 -16 46.70 5.68 8 3 -16 44.37 5.68 8 -3 -15 25.47 4.69 8 -3 -15 29.35 4.62 8 3 -15 29.37 4.36 8 -3 -14 24.54 4.46 8 -3 -14 26.89 4.39 8 3 -14 20.87 4.15 8 -3 -13 14.57 2.86 8 -3 -13 19.25 3.30 8 3 -13 16.21 3.07 8 3 -12 0.37 0.88 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3.47 1.78 8 -3 0 3.31 1.57 8 -3 0 4.83 1.92 8 3 0 9.56 2.00 8 3 1 9.50 2.60 8 -3 1 10.98 2.58 8 -3 1 12.24 2.64 8 3 1 9.53 2.20 8 3 2 29.12 4.07 8 -3 2 23.82 3.65 8 3 2 27.29 3.83 8 -3 2 23.54 3.83 8 3 3 22.92 3.48 8 -3 3 24.21 3.63 8 3 3 20.92 3.36 8 -3 3 25.67 3.92 8 3 4 0.29 0.99 8 -3 4 -0.57 1.07 8 -3 4 -0.01 0.66 8 3 4 0.35 0.72 8 3 5 1.90 1.20 8 3 5 2.37 1.50 8 -3 5 6.88 2.01 8 -3 5 3.46 1.55 8 3 6 15.57 2.96 8 -3 6 20.26 3.40 8 3 6 17.88 3.52 8 3 7 46.86 4.94 8 -3 7 39.99 4.80 8 3 7 48.34 5.27 8 3 8 29.10 3.95 8 -3 8 28.41 4.12 8 3 8 33.63 4.48 8 3 9 27.44 3.87 8 -3 9 35.46 4.47 8 3 9 40.11 4.98 8 3 10 22.86 3.59 8 -3 10 31.87 4.50 8 3 10 23.85 4.06 8 3 11 18.47 3.07 8 3 11 17.53 3.23 8 -3 11 23.49 3.93 8 3 12 0.65 1.32 8 3 12 2.07 1.05 8 -3 12 3.03 2.07 8 3 13 19.00 3.48 8 3 13 23.35 3.99 8 -3 13 14.96 3.09 8 3 14 20.05 3.49 8 3 14 30.00 4.58 8 -3 14 31.69 4.69 8 3 15 25.16 3.78 8 3 15 26.90 4.63 8 -3 15 31.39 4.69 8 3 16 39.96 5.45 8 -3 16 59.01 6.53 8 3 17 66.98 7.38 8 -3 17 69.84 7.29 8 -3 18 7.33 2.38 8 3 18 9.28 2.43 8 -3 19 4.28 1.69 8 3 19 6.47 2.36 8 -3 20 0.26 1.21 8 3 20 0.97 1.69 8 3 21 0.18 1.17 8 3 22 0.12 1.43 8 3 23 1.16 1.34 8 3 24 2.28 2.29 8 3 25 -0.11 2.14 8 3 26 0.60 1.74 8 -4 -26 3.20 2.87 8 -4 -25 16.45 4.09 8 -4 -24 18.04 4.31 8 -4 -23 -0.55 2.28 8 -4 -22 17.84 3.94 8 -4 -21 22.27 4.32 8 -4 -20 2.61 2.35 8 -4 -19 13.05 3.71 8 -4 -19 15.43 4.41 8 -4 -18 13.83 3.76 8 -4 -18 15.12 3.70 8 4 -18 14.68 3.55 8 -4 -17 2.26 1.68 8 -4 -17 2.64 1.54 8 4 -17 3.18 1.48 8 -4 -16 60.82 7.16 8 -4 -16 58.20 6.83 8 4 -16 59.03 6.43 8 -4 -15 87.54 8.36 8 -4 -15 103.46 8.88 8 4 -15 88.32 8.00 8 -4 -14 31.93 4.72 8 4 -14 27.57 4.39 8 -4 -14 20.54 3.90 8 4 -13 13.73 3.08 8 -4 -13 16.51 3.61 8 -4 -13 13.65 3.14 8 4 -12 14.45 3.25 8 -4 -12 21.05 3.88 8 -4 -12 23.46 4.21 8 -4 -11 63.57 6.78 8 -4 -11 77.51 7.36 8 4 -11 68.57 6.76 8 -4 -10 10.70 2.74 8 -4 -10 13.70 3.08 8 4 -10 19.89 3.69 8 -4 -9 16.24 3.44 8 -4 -9 15.39 3.48 8 4 -9 14.36 3.45 8 4 -8 3.26 0.61 8 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8 -5 -3 24.30 4.01 8 -5 -3 26.72 4.35 8 5 -2 16.81 3.42 8 5 -2 13.65 2.89 8 -5 -2 16.58 3.35 8 -5 -2 15.64 3.62 8 5 -1 3.48 1.94 8 -5 -1 7.96 2.67 8 5 -1 10.61 2.52 8 -5 -1 7.74 2.43 8 5 0 11.30 2.80 8 -5 0 13.01 3.01 8 5 0 14.24 2.73 8 -5 0 10.97 3.02 8 5 1 7.34 2.14 8 -5 1 11.39 3.07 8 5 1 7.01 2.00 8 5 2 14.77 3.29 8 5 2 13.12 2.73 8 -5 2 16.41 3.14 8 -5 2 19.08 4.08 8 -5 3 30.72 4.68 8 5 3 17.60 3.69 8 5 3 26.44 3.98 8 -5 3 26.91 4.28 8 -5 4 28.82 4.66 8 5 4 27.30 4.30 8 5 4 28.59 4.35 8 -5 4 30.43 4.23 8 5 5 8.30 2.33 8 -5 5 11.28 2.74 8 5 5 7.35 2.12 8 -5 5 10.02 2.31 8 5 6 12.80 2.95 8 5 6 12.20 2.92 8 -5 6 7.50 2.34 8 -5 7 35.15 4.95 8 5 7 38.42 5.44 8 5 7 38.66 5.28 8 -5 7 41.13 5.41 8 5 8 10.47 2.95 8 -5 8 8.08 2.92 8 5 8 8.08 2.26 8 -5 8 12.31 3.03 8 5 9 5.80 2.24 8 -5 9 7.00 1.95 8 5 9 5.28 2.26 8 -5 9 3.38 1.74 8 5 10 -1.27 1.58 8 -5 10 -0.09 1.50 8 5 10 2.38 1.79 8 -5 10 0.31 1.57 8 5 11 9.32 2.76 8 -5 11 7.38 2.36 8 5 11 9.21 2.45 8 5 12 16.27 3.64 8 -5 12 14.16 3.33 8 5 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7.92 8 6 -10 10.53 2.94 8 -6 -10 8.82 2.82 8 -6 -10 7.90 2.99 8 6 -9 42.92 5.66 8 -6 -9 41.52 5.62 -8 6 -9 39.34 5.12 8 -6 -9 39.51 5.47 8 6 -8 14.83 3.66 -8 6 -8 23.20 4.02 8 -6 -8 21.12 4.19 8 -6 -8 21.18 4.45 8 -6 -7 13.07 3.35 8 6 -7 12.27 3.51 -8 6 -7 14.66 3.27 8 -6 -7 20.06 4.09 8 6 -6 88.65 8.32 8 6 -6 79.52 7.13 -8 6 -6 83.69 7.61 8 -6 -6 75.71 7.48 8 -6 -6 78.76 7.78 8 6 -5 101.61 8.73 8 6 -5 105.03 8.10 8 -6 -5 97.59 8.72 8 -6 -5 105.66 9.12 8 -6 -4 6.56 2.21 8 6 -4 5.92 2.50 8 6 -4 6.25 2.36 8 -6 -4 6.10 2.78 8 6 -3 27.13 4.50 8 6 -3 35.57 4.72 8 -6 -3 35.55 4.91 8 -6 -3 26.36 4.74 8 6 -2 29.12 4.57 8 -6 -2 33.47 4.81 8 6 -2 32.95 4.50 8 -6 -2 36.38 5.11 8 6 -1 48.79 5.95 8 6 -1 44.52 5.38 8 -6 -1 48.88 6.03 8 -6 -1 46.29 5.88 8 6 0 49.38 6.14 8 -6 0 47.30 5.92 8 6 0 51.01 5.89 8 -6 0 54.44 6.46 8 6 1 45.06 5.85 8 -6 1 43.94 5.38 8 6 1 49.63 5.68 8 -6 1 53.55 6.40 8 6 2 36.97 5.61 8 -6 2 35.79 5.03 8 6 2 44.13 5.28 8 -6 2 33.85 4.93 8 6 3 32.79 4.69 8 -6 3 35.65 5.19 8 6 3 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5.57 10 4 -3 39.78 5.01 10 -4 -3 33.50 5.08 10 4 -3 35.31 4.34 10 4 -3 35.22 4.87 10 -4 -2 126.82 9.31 10 4 -2 115.34 8.29 10 -4 -2 137.62 10.10 10 4 -2 136.52 8.40 10 4 -2 121.64 9.05 10 -4 -1 108.01 8.74 10 4 -1 112.13 8.34 10 -4 -1 112.47 9.16 10 4 -1 101.47 8.28 10 -4 0 77.64 7.44 10 4 0 66.08 6.45 10 -4 0 66.72 6.97 10 4 0 74.71 7.15 10 4 1 121.88 8.93 10 -4 1 115.73 8.85 10 4 1 123.73 8.87 10 -4 1 101.71 8.66 10 4 2 128.48 9.32 10 -4 2 135.79 9.94 10 4 2 124.74 8.94 10 -4 2 138.23 9.89 10 4 3 30.96 4.46 10 -4 3 35.08 5.01 10 4 3 30.57 4.55 10 -4 3 36.88 4.83 10 4 4 33.88 4.75 10 4 4 33.75 4.82 10 -4 4 26.71 4.32 10 4 5 80.17 7.42 10 -4 5 76.24 7.41 10 4 5 84.88 7.61 10 -4 5 67.52 7.16 10 4 6 28.81 4.43 10 -4 6 24.33 4.12 10 4 6 26.46 4.51 10 -4 6 19.57 3.94 10 4 7 14.72 3.44 10 -4 7 18.22 3.63 10 -4 7 14.61 3.31 10 4 7 13.00 2.89 10 4 8 65.27 6.78 10 -4 8 52.78 6.42 10 4 8 63.20 6.86 10 -4 8 64.41 6.87 10 4 9 51.29 6.17 10 -4 9 37.78 5.42 10 4 9 49.87 5.86 10 4 10 35.39 5.19 10 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5 -13 0.85 1.63 10 -5 -13 -0.61 1.79 10 -5 -13 -0.51 1.33 10 5 -12 0.82 0.75 10 -5 -12 1.22 2.51 10 -5 -12 3.48 2.06 10 -5 -11 1.63 1.26 10 5 -11 2.44 1.64 10 -5 -11 0.75 1.57 10 -5 -10 7.64 2.54 10 5 -10 8.36 2.67 10 -5 -10 6.88 2.84 10 -5 -9 1.21 1.55 10 5 -9 2.41 2.28 10 -5 -9 1.90 1.21 10 5 -8 11.22 3.00 10 -5 -8 15.61 3.49 10 -5 -8 12.93 3.50 10 5 -7 12.14 3.10 10 -5 -7 9.38 3.01 10 -5 -7 5.73 2.57 10 5 -6 2.68 1.55 10 -5 -6 2.41 1.53 10 5 -6 3.06 1.58 10 -5 -6 2.65 1.50 10 5 -5 5.51 1.88 10 -5 -5 4.68 1.91 10 5 -5 5.21 1.97 10 -5 -5 5.00 1.86 10 5 -4 17.94 3.58 10 -5 -4 15.45 3.36 10 5 -4 19.10 3.39 10 -5 -4 16.44 3.89 10 5 -3 11.29 3.04 10 -5 -3 14.61 3.43 10 -5 -3 7.55 2.76 10 5 -3 9.64 2.50 10 5 -2 25.07 4.40 10 5 -2 18.76 3.51 10 -5 -2 17.77 3.90 10 -5 -2 22.03 4.22 10 5 -1 73.31 7.47 10 5 -1 58.97 6.24 10 -5 -1 57.01 6.77 10 -5 -1 62.87 7.12 10 5 0 41.57 5.56 10 5 0 37.89 5.07 10 -5 0 32.53 5.34 10 -5 0 37.43 5.73 10 -5 1 65.11 7.08 10 5 1 62.97 6.95 10 5 1 66.34 6.74 10 -5 1 68.54 7.22 10 5 2 23.72 4.05 10 -5 2 21.72 4.11 10 5 2 25.87 4.44 10 -5 2 22.35 4.30 10 5 3 6.07 1.96 10 5 3 9.82 2.77 10 -5 3 7.00 2.67 10 -5 3 8.42 2.70 10 5 4 27.47 4.52 10 -5 4 20.16 3.94 10 5 4 20.43 3.85 10 -5 4 16.97 3.43 10 5 5 2.55 1.83 10 5 5 6.96 1.98 10 -5 5 4.67 2.07 10 -5 5 8.05 2.44 10 5 6 3.94 1.72 10 5 6 3.66 1.03 10 -5 6 5.06 2.17 10 -5 6 3.57 2.13 10 5 7 9.94 2.89 10 5 7 10.00 2.88 10 -5 7 11.05 3.04 10 -5 7 10.82 3.15 10 5 8 20.93 3.81 10 5 8 15.21 3.55 10 -5 8 13.35 3.64 10 -5 8 9.84 3.68 10 5 9 1.99 0.65 10 5 9 3.52 1.54 10 -5 9 2.26 2.24 10 -5 9 1.53 1.48 10 5 10 9.96 2.61 10 5 10 8.48 2.94 10 -5 10 9.64 2.89 10 5 11 2.70 1.50 10 5 11 7.40 2.63 10 -5 11 3.97 1.54 10 -5 11 2.15 1.28 10 5 12 1.94 2.28 10 5 12 2.59 1.81 10 -5 12 0.11 0.97 10 -5 12 2.74 1.55 10 5 13 -0.27 0.98 10 5 13 -0.88 1.66 10 -5 13 0.82 1.47 10 5 14 8.67 2.80 10 5 14 3.24 1.46 10 -5 14 6.32 2.72 10 5 15 8.35 2.98 10 5 15 10.92 3.60 10 -5 15 5.82 1.82 10 5 16 8.05 2.83 10 5 16 9.41 2.55 10 -5 16 4.43 1.58 10 -5 17 0.44 1.65 10 5 17 0.07 1.32 10 -5 18 -0.19 1.41 10 5 18 0.32 1.78 10 5 19 2.72 2.38 10 5 20 3.11 2.31 10 5 21 2.42 1.62 10 5 22 1.31 1.96 10 5 23 2.46 2.35 10 -6 -22 9.82 3.44 10 -6 -21 19.13 4.49 10 -6 -20 19.41 4.90 10 -6 -20 -0.01 1.13 10 -6 -19 10.32 3.75 10 -6 -19 8.63 2.99 10 -6 -18 21.43 5.03 10 -6 -18 7.99 3.07 10 6 -17 19.81 3.81 10 -6 -17 25.98 4.98 10 -6 -17 14.85 4.35 10 6 -16 22.02 4.47 10 -6 -16 18.32 4.22 10 -6 -16 24.12 4.93 10 -6 -15 46.35 6.62 10 -6 -15 33.42 5.59 10 6 -15 43.38 5.94 10 -6 -14 34.26 5.57 10 -6 -14 30.53 5.41 10 6 -14 27.11 5.29 10 -6 -13 19.53 4.10 10 -6 -13 28.17 5.06 10 6 -13 29.49 5.10 10 6 -12 20.85 4.15 10 -6 -12 20.43 4.70 10 -6 -12 16.39 4.07 10 6 -11 21.46 4.28 10 -6 -11 22.96 4.53 10 -6 -11 15.51 4.25 10 6 -10 18.41 4.14 10 -6 -10 19.29 4.14 10 -6 -10 19.54 3.97 10 6 -9 22.20 4.16 10 -6 -9 32.29 5.35 10 -6 -9 27.05 4.71 10 -6 -8 34.22 5.57 10 -6 -8 34.18 5.23 10 6 -8 30.12 5.23 10 -6 -7 15.25 3.71 10 6 -7 15.28 3.64 10 -6 -7 6.15 2.60 10 -6 -6 14.08 3.78 10 6 -6 16.08 3.39 10 -6 -6 18.22 4.42 10 6 -5 49.70 6.33 10 6 -5 49.75 6.25 10 -6 -5 45.50 6.00 10 -6 -5 46.84 6.11 10 6 -4 37.63 5.55 10 6 -4 26.50 4.20 10 -6 -4 23.07 4.75 10 -6 -4 32.34 5.38 10 -6 -3 4.07 1.82 10 6 -3 0.88 1.54 10 -6 -3 1.82 1.10 10 6 -3 2.85 1.81 10 6 -2 21.08 4.38 10 -6 -2 21.28 4.14 10 -6 -2 25.25 4.58 10 6 -2 17.06 3.66 10 6 -1 51.88 6.56 10 6 -1 55.08 6.27 10 -6 -1 62.13 6.91 10 -6 -1 43.78 6.07 10 6 0 61.42 7.20 10 6 0 48.66 5.92 10 -6 0 50.71 6.49 10 -6 0 53.19 6.65 10 6 1 65.30 7.01 10 6 1 47.66 6.00 10 -6 1 53.39 6.56 10 -6 1 53.08 6.52 10 6 2 21.23 3.89 10 -6 2 23.18 4.47 10 6 2 18.46 3.99 10 -6 2 25.15 4.84 10 6 3 1.11 1.41 10 6 3 1.02 1.10 10 -6 3 4.66 1.98 10 -6 3 1.72 0.97 10 6 4 32.93 5.21 10 6 4 20.18 3.91 10 -6 4 23.93 4.88 10 -6 4 35.98 5.47 10 6 5 36.82 5.58 10 6 5 43.87 5.72 10 -6 5 49.12 6.43 10 -6 5 50.49 6.34 10 6 6 8.87 2.40 10 6 6 17.93 3.80 10 -6 6 15.32 3.57 10 6 7 8.95 3.09 10 6 7 6.49 2.25 10 -6 7 12.21 3.02 10 -6 7 8.10 3.12 10 -6 8 36.67 5.67 10 6 8 30.69 5.44 10 6 8 37.98 5.55 10 -6 8 31.37 5.45 10 -6 9 23.88 5.21 10 6 9 26.94 5.12 10 6 9 30.13 5.12 10 -6 9 27.05 4.75 10 6 10 21.61 4.39 10 -6 10 22.41 4.82 10 6 10 29.63 5.01 10 -6 10 19.50 4.61 10 6 11 24.33 4.46 10 6 11 20.74 4.21 10 -6 11 20.07 4.32 10 -6 11 21.41 4.79 10 6 12 19.85 4.25 10 6 12 22.63 4.21 10 -6 12 13.17 3.08 10 -6 12 14.88 3.48 10 6 13 17.66 4.29 10 -6 13 20.12 4.66 10 -6 13 28.76 5.15 10 -6 14 30.61 5.39 10 6 14 29.16 5.04 10 6 14 30.93 4.95 10 -6 14 36.15 6.10 10 -6 15 51.43 7.08 10 6 15 46.92 6.95 10 -6 15 52.62 7.53 10 6 16 19.82 4.46 10 6 16 20.90 4.93 10 -6 16 21.98 4.96 10 -6 16 25.60 5.24 10 6 17 10.32 2.73 10 6 18 14.55 4.19 10 6 19 5.94 1.85 10 6 20 10.02 2.80 10 6 21 21.33 4.57 10 6 22 14.94 3.95 10 -7 -20 3.16 2.86 10 -7 -20 6.87 2.69 10 -7 -19 -2.64 2.17 10 -7 -19 2.50 1.28 10 -7 -18 5.76 3.60 10 -7 -18 4.58 2.69 10 7 -17 -0.52 2.29 10 -7 -17 0.16 1.87 10 -7 -17 0.25 1.25 10 7 -16 3.46 2.74 10 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7 0 8.10 2.68 10 -7 0 4.00 1.99 10 -7 1 22.74 4.26 10 7 1 21.92 4.57 10 7 1 16.42 3.65 10 -7 1 16.45 3.75 10 -7 2 5.30 2.94 10 7 2 6.14 3.30 10 7 2 7.00 2.78 10 -7 2 9.39 2.74 10 -7 3 4.43 2.12 10 7 3 2.17 1.66 10 7 3 3.57 1.96 10 -7 3 3.53 1.98 10 -7 4 4.62 2.70 10 7 4 2.58 1.76 10 7 4 1.58 0.84 10 -7 4 3.54 1.77 10 -7 5 2.15 1.75 10 7 5 2.68 1.46 10 7 5 3.80 1.88 10 -7 5 2.41 2.61 10 -7 6 1.83 1.51 10 7 6 4.19 1.28 10 7 6 5.93 2.13 10 -7 6 3.80 2.50 10 -7 7 2.03 1.54 10 7 7 -0.68 0.97 10 7 7 0.88 0.82 10 -7 7 -0.30 2.55 10 -7 8 13.42 3.38 10 7 8 11.88 3.60 10 7 8 13.85 3.33 10 -7 8 11.93 4.16 10 -7 9 8.83 3.14 10 7 9 15.96 3.77 10 7 9 13.04 3.37 10 -7 9 15.15 3.96 10 -7 10 8.98 3.08 10 7 10 14.35 4.16 10 7 10 18.46 4.04 10 -7 10 9.37 3.34 10 -7 11 11.57 3.06 10 7 11 13.76 3.39 10 7 11 10.70 3.12 10 -7 11 19.51 4.65 10 7 12 5.37 2.11 10 -7 12 2.08 1.99 10 7 12 3.42 2.01 10 -7 12 5.46 2.43 10 7 13 1.14 2.21 10 -7 13 2.34 1.28 10 7 13 4.76 1.68 10 -7 13 0.48 1.25 10 7 14 6.36 2.85 10 -7 14 4.19 2.51 10 7 14 7.31 2.22 10 7 15 -0.76 1.20 10 -7 15 -0.79 1.41 10 7 15 2.55 1.43 10 7 16 10.00 2.95 10 7 16 7.62 2.97 10 7 17 3.74 2.40 10 7 18 5.80 2.74 10 7 19 3.00 1.98 10 7 20 1.46 1.81 10 -8 -17 2.38 2.32 10 -8 -17 2.08 1.86 10 8 -16 7.34 3.96 10 -8 -16 7.12 2.36 10 8 -15 14.88 3.65 10 -8 -15 8.89 3.32 10 -8 -15 9.78 3.50 10 8 -14 11.46 3.96 10 -8 -14 14.08 4.38 10 -8 -14 15.96 4.65 10 8 -13 1.68 2.18 10 -8 -13 0.99 1.36 10 8 -12 15.80 4.19 10 -8 -12 12.56 3.35 10 -8 -12 10.52 3.79 10 8 -11 1.25 0.97 10 -8 -11 6.14 3.06 10 8 -10 5.97 2.56 10 -8 -10 11.65 3.27 10 -8 -10 7.40 2.17 10 8 -9 18.99 4.00 10 -8 -9 19.46 4.11 10 8 -8 26.92 5.27 10 -8 -8 32.15 5.55 10 -8 -8 27.93 5.58 10 8 -7 6.40 3.26 -10 8 -7 1.18 2.52 10 -8 -7 5.40 3.35 10 -8 -7 5.51 2.35 10 8 -6 26.36 5.18 -10 8 -6 27.00 5.41 10 -8 -6 30.66 5.50 10 -8 -6 34.61 5.73 10 8 -5 22.67 5.04 -10 8 -5 41.63 6.45 10 -8 -5 42.57 6.81 10 -8 -5 30.08 5.25 10 8 -4 20.34 3.99 -10 8 -4 31.35 5.54 10 -8 -4 40.37 6.40 10 -8 -4 31.70 5.17 10 8 -3 6.69 2.29 -10 8 -3 6.60 2.65 10 -8 -3 2.23 1.40 10 -8 -2 3.18 1.57 10 8 -2 4.57 2.62 10 8 -2 3.72 1.89 10 -8 -2 -0.22 1.75 -10 8 -2 8.91 2.90 10 -8 -1 3.95 1.24 10 8 -1 2.38 1.98 10 8 -1 7.03 2.58 -10 8 -1 9.19 3.12 10 -8 -1 9.66 3.59 10 -8 0 21.58 4.60 10 8 0 22.40 4.48 10 8 0 11.91 3.43 -10 8 0 8.30 2.45 10 -8 0 11.35 3.20 10 -8 1 10.81 2.94 10 8 1 12.09 3.84 10 8 1 12.33 3.43 -10 8 1 7.81 3.28 10 -8 1 11.29 3.25 10 -8 2 11.46 3.42 10 8 2 6.66 2.96 10 8 2 6.02 2.13 -10 8 2 3.00 1.66 10 -8 2 7.25 2.61 10 -8 3 13.53 4.16 10 8 3 14.38 2.96 10 8 3 7.28 3.07 10 -8 3 12.05 3.60 -10 8 3 12.83 3.50 10 8 4 40.77 6.04 10 8 4 21.39 4.45 -10 8 4 15.84 3.96 10 -8 4 32.66 5.41 10 -8 4 45.03 6.44 10 8 5 37.86 5.61 10 8 5 36.56 6.03 10 -8 5 26.15 5.28 10 -8 5 32.57 5.92 10 -8 6 22.77 4.53 10 8 6 19.63 4.29 10 8 6 33.10 5.53 10 -8 6 17.24 4.40 10 -8 7 8.88 2.37 10 8 7 8.01 2.71 10 8 7 3.54 2.01 10 -8 7 7.75 3.99 10 -8 8 21.26 4.87 10 8 8 25.03 4.59 10 8 8 20.56 4.38 10 -8 9 18.40 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5 -3 24.76 4.27 11 5 -2 54.47 6.18 11 -5 -2 40.32 5.85 11 -5 -2 42.77 6.11 11 5 -2 46.51 6.08 11 5 -1 92.95 7.91 11 -5 -1 96.30 8.68 11 -5 -1 86.19 8.38 11 5 -1 73.88 7.46 11 5 0 -0.35 1.52 11 -5 0 1.56 1.18 11 5 0 0.84 1.49 11 -5 0 1.65 1.09 11 5 1 98.61 8.64 11 -5 1 86.44 8.18 11 5 1 88.28 8.10 11 -5 1 98.50 9.17 11 5 2 45.74 6.04 11 -5 2 42.78 6.05 11 5 2 52.83 6.12 11 -5 2 43.76 6.20 11 5 3 25.72 4.48 11 -5 3 29.10 4.63 11 5 3 28.05 4.50 11 -5 3 27.41 5.00 11 5 4 153.33 10.79 11 -5 4 152.17 10.90 11 5 4 138.25 10.04 11 -5 4 146.67 10.93 11 5 5 3.54 2.61 11 -5 5 3.46 1.34 11 -5 5 0.63 1.11 11 5 5 1.85 1.62 11 5 6 11.24 2.59 11 -5 6 15.08 3.36 11 -5 6 17.65 4.42 11 5 6 14.57 3.25 11 5 7 24.69 4.65 11 5 7 20.32 4.02 11 -5 7 23.50 4.56 11 -5 7 24.61 4.35 11 5 8 103.31 9.12 11 -5 8 121.11 10.00 11 5 8 123.99 9.84 11 -5 8 123.21 10.21 11 5 9 30.34 4.73 11 -5 9 49.71 6.44 11 5 9 46.61 6.02 11 -5 9 37.16 5.79 11 5 10 0.33 1.31 11 -5 10 0.45 1.62 11 -5 10 2.30 1.63 11 5 10 1.17 0.99 11 5 11 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8.28 2.60 13 3 -13 12.57 3.45 13 -3 -12 81.80 8.63 13 3 -12 65.81 7.40 13 -3 -12 79.33 8.60 13 -3 -11 4.72 2.03 13 -3 -11 4.47 2.82 13 3 -11 4.02 1.65 13 -3 -10 162.11 11.81 13 3 -10 172.11 11.87 13 -3 -10 168.34 12.12 13 -3 -9 18.64 4.00 13 -3 -9 19.46 4.08 13 3 -9 17.96 3.89 13 -3 -8 21.73 4.03 13 -3 -8 20.61 4.22 13 3 -8 19.44 3.86 13 -3 -7 18.18 4.07 13 -3 -7 21.34 4.13 13 3 -7 13.67 3.37 13 3 -7 10.48 2.85 13 -3 -6 30.84 5.07 13 3 -6 28.16 4.60 13 -3 -6 31.88 5.61 13 3 -6 42.57 5.47 13 3 -6 33.94 5.32 13 3 -5 5.56 2.33 13 3 -5 2.59 0.97 13 -3 -5 7.20 2.54 13 -3 -5 2.38 0.83 13 3 -5 6.61 2.34 13 -3 -4 130.61 10.35 13 3 -4 129.51 9.59 13 -3 -4 142.73 10.72 13 3 -4 122.09 9.70 13 3 -4 111.80 9.45 13 3 -3 15.96 3.20 13 3 -3 16.35 3.51 13 -3 -3 14.51 3.56 13 -3 -3 14.27 3.76 13 3 -3 17.91 3.68 13 3 -2 1.64 2.19 13 3 -2 0.09 1.84 13 -3 -2 1.82 1.03 13 -3 -2 0.85 1.04 13 3 -2 1.33 1.67 13 3 -1 15.35 3.46 13 3 -1 10.43 3.16 13 -3 -1 6.83 2.43 13 -3 -1 15.35 3.80 13 3 -1 12.95 2.96 13 -3 0 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13 3 14 66.85 7.62 13 3 15 10.95 2.95 13 -3 15 11.07 3.42 13 -3 16 95.20 9.49 13 3 16 90.10 9.27 13 3 17 5.22 2.72 13 -3 17 7.66 2.95 13 3 18 3.07 1.63 13 -3 18 8.08 3.33 13 3 19 2.33 2.20 13 -3 19 0.51 1.00 13 3 20 13.64 3.92 13 -3 20 14.28 3.97 13 3 21 2.09 2.02 13 -3 21 2.05 1.96 13 3 22 18.85 4.69 13 3 23 1.48 2.07 13 -4 -21 3.99 2.81 13 -4 -20 0.07 1.14 13 -4 -19 5.50 2.61 13 4 -19 10.66 3.02 13 -4 -18 1.64 1.86 13 4 -18 -1.72 1.41 13 -4 -17 5.93 2.49 13 4 -17 6.11 2.91 13 -4 -16 5.51 2.73 13 4 -16 -1.85 1.95 13 -4 -16 6.49 4.96 13 -4 -15 10.89 3.53 13 -4 -15 10.74 3.16 13 4 -15 6.40 2.89 13 -4 -14 0.60 1.40 13 4 -14 -0.54 1.92 13 -4 -13 -1.25 2.04 13 -4 -13 1.40 2.52 13 4 -13 -0.08 1.34 13 -4 -12 2.72 1.65 13 -4 -12 2.48 1.04 13 4 -12 5.99 2.70 13 -4 -11 0.56 1.48 13 -4 -11 0.09 1.72 13 4 -11 -0.01 1.54 13 -4 -10 2.32 1.38 13 -4 -10 0.71 1.70 13 4 -10 1.85 1.55 13 -4 -9 92.42 9.04 13 4 -9 68.85 7.58 13 -4 -9 73.93 8.19 13 4 -8 3.28 1.66 13 -4 -8 0.12 1.15 13 -4 -8 0.06 1.48 13 4 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0 14.41 3.63 13 -5 1 50.65 6.61 13 -5 1 57.38 7.26 13 5 1 56.67 6.96 13 5 1 53.66 6.44 13 5 2 74.72 7.82 13 -5 2 82.05 8.18 13 -5 2 73.11 8.28 13 5 3 25.54 4.72 13 -5 3 32.28 5.13 13 -5 3 28.24 5.19 13 5 3 31.06 5.43 13 5 4 38.76 5.55 13 -5 4 43.16 6.26 13 -5 4 48.89 6.96 13 5 4 43.61 6.33 13 5 5 13.61 3.04 13 -5 5 12.84 3.83 13 5 5 9.55 3.01 13 -5 5 11.12 3.20 13 5 6 34.95 5.53 13 -5 6 52.47 7.09 13 -5 6 49.79 6.63 13 5 6 43.42 6.11 13 5 7 16.80 3.67 13 5 7 24.89 4.57 13 -5 7 27.30 5.02 13 -5 7 19.39 4.31 13 5 8 4.59 2.73 13 -5 8 1.11 1.04 13 5 8 2.39 1.93 13 -5 8 5.93 1.98 13 5 9 3.16 2.31 13 -5 9 3.53 1.42 13 5 9 4.49 2.61 13 -5 9 1.71 1.78 13 5 10 19.64 4.28 13 -5 10 18.33 3.99 13 5 10 11.86 3.87 13 -5 10 15.44 4.08 13 5 11 29.50 5.15 13 -5 11 32.99 5.61 13 -5 11 34.18 5.48 13 5 11 28.92 5.19 13 5 12 10.77 3.42 13 -5 12 12.46 3.74 13 5 12 16.03 3.81 13 -5 12 7.77 2.51 13 5 13 4.75 1.78 13 -5 13 5.19 2.47 13 5 13 3.26 1.10 13 -5 13 2.30 2.28 13 5 14 8.61 3.26 13 -5 14 14.07 3.82 13 5 14 14.20 3.62 13 -5 14 17.67 4.43 13 -5 15 4.16 2.84 13 5 15 4.82 3.33 13 -5 15 4.83 2.58 13 -5 16 4.96 2.74 13 5 16 11.50 3.47 13 -5 17 14.98 4.19 13 5 17 12.82 3.71 13 -5 18 5.97 3.14 13 5 18 3.39 2.57 13 -5 19 10.13 4.26 13 5 19 1.46 2.36 13 5 20 8.71 2.77 13 -6 -18 -1.41 1.91 13 -6 -18 2.50 1.86 13 6 -18 -1.46 1.64 13 -6 -17 0.79 1.77 13 -6 -17 2.09 2.87 13 6 -17 0.03 1.47 13 -6 -16 1.37 1.03 13 -6 -16 -0.90 1.24 13 6 -16 2.17 3.00 13 -6 -15 2.71 2.50 13 -6 -15 0.90 1.65 13 6 -15 5.83 3.18 13 6 -14 2.74 2.50 13 -6 -14 2.44 1.02 13 -6 -14 -0.37 1.53 13 6 -13 6.42 1.91 13 -6 -13 3.47 2.37 13 -6 -13 3.95 2.69 13 -6 -12 0.09 1.17 13 6 -12 0.97 1.83 13 -6 -12 -1.48 1.58 13 -6 -11 2.79 1.92 13 6 -11 3.77 2.39 13 -6 -11 3.36 1.66 13 6 -10 5.00 2.57 13 -6 -10 0.25 1.00 13 -6 -10 2.29 2.09 13 6 -9 1.17 1.33 13 -6 -9 1.97 1.73 13 -6 -9 0.70 1.34 13 6 -8 0.19 1.19 13 -6 -8 1.72 1.57 13 -6 -8 2.22 2.52 13 6 -7 2.38 1.78 13 -6 -7 4.39 2.86 13 -6 -7 2.24 1.25 13 6 -6 1.52 1.33 13 -6 -6 0.89 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3 2 6.26 2.97 19 -3 3 6.03 2.55 19 -3 3 2.90 2.78 19 3 3 3.64 3.14 19 3 3 5.57 2.44 19 3 3 -0.28 2.11 19 -3 4 3.80 2.18 19 -3 4 2.06 1.32 19 3 4 0.97 1.98 19 3 4 3.28 2.33 19 3 4 4.01 2.29 19 -3 5 3.02 1.73 19 -3 5 8.64 2.53 19 3 5 3.79 1.52 19 3 5 3.75 3.69 19 3 5 5.86 2.93 19 -3 6 5.98 2.46 19 -3 6 8.21 3.61 19 3 6 4.49 2.75 19 3 6 3.33 2.24 19 3 6 2.62 2.28 19 3 7 2.89 2.40 19 -3 7 0.36 1.15 19 -3 7 4.84 3.55 19 3 7 8.53 3.14 19 3 7 2.60 1.66 19 3 8 5.80 2.67 19 3 8 5.23 2.39 19 3 8 8.98 2.82 19 3 9 3.18 1.96 19 -3 9 5.00 2.31 19 -3 9 5.15 3.32 19 3 9 3.75 3.14 19 -4 -6 1.13 1.81 19 -4 -6 2.59 2.14 19 4 -6 -0.84 1.31 19 -4 -5 -2.33 2.29 19 -4 -5 -2.72 2.21 19 4 -5 0.51 1.74 19 -4 -4 0.02 1.18 19 -4 -4 4.78 3.02 19 4 -4 6.30 2.29 19 -4 -3 2.17 1.77 19 -4 -3 0.97 1.12 19 4 -3 2.20 1.74 19 -4 -2 0.40 1.44 19 4 -2 2.32 1.36 19 -4 -1 2.85 2.17 19 -4 -1 -2.53 2.48 19 4 -1 -1.81 2.69 19 4 -1 -1.02 1.27 19 -4 0 8.42 2.70 19 -4 0 0.35 2.37 19 4 0 8.51 3.43 19 4 0 3.71 2.26 19 -4 1 -0.72 1.24 19 -4 1 -1.97 1.70 19 4 1 1.31 1.06 19 4 1 1.62 1.24 19 -4 2 4.99 2.97 19 -4 2 5.40 2.77 19 4 2 1.60 2.09 19 4 2 2.58 1.49 19 4 3 0.55 1.08 19 -4 3 5.52 2.25 19 -4 3 1.96 1.59 19 4 3 2.24 1.24 19 4 4 -1.27 2.05 19 -4 4 0.96 1.98 19 -4 4 1.09 1.23 19 4 4 0.14 2.17 19 4 5 0.56 1.91 19 -4 5 0.01 1.44 19 -4 5 -1.26 1.42 19 4 5 1.54 1.69 19 4 6 2.83 1.92 19 -4 6 -0.32 0.95 19 -4 6 0.38 1.29 19 4 6 4.56 3.00 20 0 -8 64.52 8.57 20 0 -7 1.20 2.23 20 0 -6 0.46 1.97 20 0 -6 0.18 1.21 20 0 -5 27.52 5.46 20 0 -5 22.02 4.67 20 0 -4 91.78 10.15 20 0 -4 89.79 10.35 20 0 -3 0.65 2.91 20 0 -3 0.69 1.96 20 0 -2 94.51 10.02 20 0 -2 94.16 10.69 20 0 -1 4.35 2.60 20 0 -1 4.27 2.69 20 0 0 1.22 2.05 20 0 0 1.83 1.55 20 0 1 6.30 3.18 20 0 1 4.98 3.02 20 0 2 125.92 11.50 20 0 2 98.85 10.41 20 0 3 -0.22 1.67 20 0 3 0.89 1.30 20 0 4 93.04 10.10 20 0 4 90.76 10.08 20 0 5 27.70 5.47 20 0 5 20.40 5.28 20 0 6 -0.60 1.93 20 0 6 0.74 1.49 20 0 7 -2.63 2.43 20 0 7 2.46 3.02 20 0 8 60.57 8.09 20 0 8 74.71 9.11 20 -1 -7 -1.31 2.56 20 -1 -7 1.16 1.33 20 -1 -6 -0.38 2.00 20 -1 -6 -1.76 1.91 20 1 -6 1.66 3.26 20 -1 -5 2.10 2.07 20 1 -5 4.82 2.95 20 -1 -5 1.31 1.33 20 1 -5 3.10 2.36 20 -1 -4 -0.86 2.09 20 1 -4 1.80 2.68 20 -1 -4 -1.59 1.73 20 1 -4 0.14 1.41 20 -1 -3 1.32 1.03 20 1 -3 5.51 2.30 20 -1 -3 5.43 2.53 20 -1 -2 2.43 1.17 20 1 -2 4.94 3.48 20 -1 -2 2.12 1.30 20 1 -2 -1.51 2.06 20 -1 -1 2.27 2.62 20 1 -1 1.74 1.27 20 -1 -1 1.63 1.27 20 1 -1 3.27 2.57 20 -1 0 -0.34 1.06 20 1 0 1.28 1.31 20 -1 0 1.47 2.34 20 1 0 -0.33 2.78 20 -1 1 1.32 1.04 20 1 1 1.76 2.13 20 -1 1 0.07 2.46 20 1 1 1.69 1.40 20 -1 2 3.42 2.08 20 1 2 1.57 1.89 20 -1 2 2.30 2.67 20 1 2 1.18 2.73 20 -1 3 13.33 4.01 20 1 3 9.09 3.76 20 -1 3 8.94 3.06 20 1 3 6.38 3.08 20 -1 4 -0.65 2.01 20 1 4 -0.17 1.41 20 -1 4 -1.30 1.91 20 1 4 -0.73 2.72 20 -1 5 4.51 2.16 20 1 5 0.21 1.61 20 -1 5 6.02 3.18 20 1 5 2.98 3.47 20 -1 6 2.25 1.63 20 1 6 0.15 1.59 20 -1 6 0.36 1.85 20 1 6 1.71 2.65 20 -1 7 1.35 1.76 20 1 7 1.66 1.86 20 -1 7 -0.83 2.34 20 1 7 1.27 2.44 20 -2 -6 2.83 1.17 20 -2 -6 4.51 2.57 20 -2 -5 2.65 2.42 20 -2 -5 -1.79 2.52 20 -2 -4 7.28 2.54 20 -2 -4 4.20 2.52 20 -2 -3 0.77 1.63 20 2 -3 3.54 3.00 20 -2 -3 0.98 1.90 20 -2 -2 38.00 6.45 20 2 -2 39.56 6.71 20 -2 -2 42.32 6.82 20 2 -2 48.69 6.93 20 -2 -1 -0.17 2.04 20 2 -1 0.66 1.15 20 -2 -1 2.56 2.34 20 2 -1 4.15 2.38 20 2 -1 1.28 2.38 20 -2 0 1.76 1.27 20 2 0 -0.84 3.01 20 -2 0 0.85 1.79 20 2 0 -1.32 2.85 20 2 0 4.47 3.22 20 -2 1 4.41 3.31 20 2 1 2.32 1.57 20 -2 1 0.75 1.08 20 2 1 0.48 1.76 20 2 1 1.57 1.89 20 -2 2 44.91 6.90 20 -2 2 36.46 6.70 20 2 2 28.15 5.47 20 2 2 41.51 6.56 20 2 2 37.38 6.08 20 -2 3 -0.09 1.02 20 -2 3 -1.14 2.57 20 2 3 1.72 1.50 20 2 3 -1.89 1.70 20 2 3 1.42 1.56 20 -2 4 4.16 2.34 20 -2 4 6.86 3.38 20 2 4 6.84 3.55 20 2 4 4.72 2.63 20 2 4 8.80 2.67 20 -2 5 0.70 1.94 20 -2 5 0.04 1.64 20 2 5 1.13 1.82 20 2 5 0.62 2.22 20 2 5 0.39 1.83 20 -2 6 5.77 2.81 20 -2 6 3.09 1.68 20 2 6 3.82 1.84 20 2 6 5.09 2.47 20 2 6 5.08 2.89 20 -3 -1 -1.40 1.90 20 -3 -1 2.59 2.23 20 3 -1 0.45 1.12 20 3 -1 2.53 2.55 20 -3 0 -0.13 1.34 20 -3 0 0.32 2.47 20 3 0 0.42 1.85 20 3 0 0.11 1.99 20 -3 1 0.52 1.09 20 3 1 -1.38 1.34 20 3 1 -1.00 1.82 0 0 0 0.00 0.00 TITL 005_270K_SulfamerazineF1_ in Pna2(1) REM Pna2(1) (#33, found as Pbn2(1) in ba-c setting) CELL 0.68890 14.495037 8.209368 21.948926 90.0000 90.0000 90.0000 ZERR 8.00 0.000141 0.000088 0.000321 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 85565