#============================================================================== data_global loop_ _journal_name_full 'European Journal of Chemistry' _journal_coden_ASTM EJCUA9 _journal_volume 12 _journal_issue 3 _journal_year 2021 _journal_page_first 235 _journal_page_last 241 #============================================================================== data_publication_text _publ_requested_journal 'European Journal of Chemistry' _publ_contact_author_name 'Pedro I. S. Maia' _publ_contact_author_address ;Departamento de Qu\'imica, Universidade Federal do Tri\^angulo Mineiro, Av. Dr. Randolfo Borges 1400, 38025-440, Uberaba - MG, Brazil ; _publ_contact_author_email pedro.maia@uftm.edu.br _publ_contact_author_phone 0553433313000 loop_ _publ_author_name _publ_author_address 'Pereira,Pedro H. N.' ;N\'ucleo de Desenvolvimento de Compostos Bioativos (NDCBio), Universidade Federal do Tri\^angulo Mineiro, Av. Dr. Randolfo Borges 1400, 38025-440, Uberaba - MG, Brazil ; 'Lima,Jackeline C.' ;N\'ucleo de Desenvolvimento de Compostos Bioativos (NDCBio), Universidade Federal do Tri\^angulo Mineiro, Av. Dr. Randolfo Borges 1400, 38025-440, Uberaba - MG, Brazil ; 'Deflon, Victor M.' ;Instituto de Qu\'imica de S\~ao Carlos, Universidade de S\~ao Paulo, Av. Trabalhador S\~ao Carlense, 400, 13566-590, S\~ao Carlos - SP, Brazil ; 'Malpass,Geoffroy R. P.' ;N\'ucleo de Desenvolvimento de Compostos Bioativos (NDCBio), Universidade Federal do Tri\^angulo Mineiro, Av. Dr. Randolfo Borges 1400, 38025-440, Uberaba - MG, Brazil ; 'Oliveira, Ronaldo J.' ;N\'ucleo de Desenvolvimento de Compostos Bioativos (NDCBio), Universidade Federal do Tri\^angulo Mineiro, Av. Dr. Randolfo Borges 1400, 38025-440, Uberaba - MG, Brazil ; 'Maia, Pedro Ivo S.' ;N\'ucleo de Desenvolvimento de Compostos Bioativos (NDCBio), Universidade Federal do Tri\^angulo Mineiro, Av. Dr. Randolfo Borges 1400, 38025-440, Uberaba - MG, Brazil ; data_shelx _audit_creation_method 'SHELXL-2016/4' _shelx_SHELXL_version_number '2016/4' _chemical_name_systematic ;'(Z)-benzyl 2-(5-nitro-2-oxoindolin-3-ylidene)hydrazinecarbodithioate' ; _chemical_name_common '5-nitroisatin | s-benzyldithiocarbazate' _chemical_melting_point 484 _chemical_formula_moiety 'C16 H12 N4 O3 S2' _chemical_formula_sum 'C16 H12 N4 O3 S2' _chemical_formula_weight 372.42 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 triclinic _space_group_IT_number 2 _space_group_name_H-M_alt 'P -1' _space_group_name_Hall '-P 1' _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' _cell_length_a 6.640 _cell_length_b 8.256 _cell_length_c 15.908 _cell_angle_alpha 80.80 _cell_angle_beta 80.71 _cell_angle_gamma 87.91 _cell_volume 849.6 _cell_formula_units_Z 2 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used 9846 _cell_measurement_theta_min 2.50 _cell_measurement_theta_max 26.51 _exptl_crystal_description 'plate' _exptl_crystal_colour 'orange' _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_density_diffrn 1.456 _exptl_crystal_F_000 384 _exptl_transmission_factor_min ? _exptl_transmission_factor_max ? _exptl_crystal_size_max 0.74 _exptl_crystal_size_mid 0.59 _exptl_crystal_size_min 0.12 _exptl_absorpt_coefficient_mu 0.337 _shelx_estimated_absorpt_T_min ? _shelx_estimated_absorpt_T_max ? _exptl_absorpt_correction_type 'multi-scan' _exptl_absorpt_correction_T_min 0.6011 _exptl_absorpt_correction_T_max 0.7454 _exptl_absorpt_process_details 'SADABS-2014/5' _exptl_absorpt_special_details ? _diffrn_ambient_temperature 293(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_source ? _diffrn_measurement_device_type 'Bruker APEX-II CCD' _diffrn_measurement_method '\f and \w scans' _diffrn_detector_area_resol_mean ? _diffrn_reflns_number 27515 _diffrn_reflns_av_unetI/netI 0.0222 _diffrn_reflns_av_R_equivalents 0.0533 _diffrn_reflns_limit_h_min -8 _diffrn_reflns_limit_h_max 8 _diffrn_reflns_limit_k_min -10 _diffrn_reflns_limit_k_max 10 _diffrn_reflns_limit_l_min -19 _diffrn_reflns_limit_l_max 19 _diffrn_reflns_theta_min 2.499 _diffrn_reflns_theta_max 26.524 _diffrn_reflns_theta_full 25.242 _diffrn_measured_fraction_theta_max 0.995 _diffrn_measured_fraction_theta_full 1.000 _diffrn_reflns_Laue_measured_fraction_max 0.995 _diffrn_reflns_Laue_measured_fraction_full 1.000 _diffrn_reflns_point_group_measured_fraction_max 0.995 _diffrn_reflns_point_group_measured_fraction_full 1.000 _reflns_number_total 3518 _reflns_number_gt 3200 _reflns_threshold_expression 'I > 2\s(I)' _reflns_Friedel_coverage 0.000 _reflns_Friedel_fraction_max . _reflns_Friedel_fraction_full . _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 'Bruker APEX2' _computing_cell_refinement 'Bruker SAINT' _computing_data_reduction 'Bruker SAINT' _computing_structure_solution 'SHELXT 2014/4 (Sheldrick, 2014)' _computing_structure_refinement 'SHELXL-2016/4 (Sheldrick, 2016)' _computing_molecular_graphics 'Ortep-3' _computing_publication_material ;'L. J. Farrugia, J. Appl. Crystallogr., 1997, 30, 565.' ; _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^)+(0.0528P)^2^+0.2607P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary ? _atom_sites_solution_secondary ? _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment constr _refine_ls_extinction_method none _refine_ls_extinction_coef . _refine_ls_number_reflns 3518 _refine_ls_number_parameters 226 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0398 _refine_ls_R_factor_gt 0.0367 _refine_ls_wR_factor_ref 0.1045 _refine_ls_wR_factor_gt 0.1006 _refine_ls_goodness_of_fit_ref 1.044 _refine_ls_restrained_S_all 1.044 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group S2 S 0.98321(6) -0.13279(5) 0.77961(2) 0.04839(14) Uani 1 1 d . . . . . S1 S 0.54577(8) -0.23227(7) 0.85805(3) 0.06766(17) Uani 1 1 d . . . . . O3 O 0.52201(17) -0.39912(14) 0.59368(8) 0.0513(3) Uani 1 1 d . . . . . N2 N 0.7355(2) -0.39026(16) 0.46226(8) 0.0448(3) Uani 1 1 d . . . . . H1 H 0.661752 -0.443380 0.436425 0.054 Uiso 1 1 calc R U . . . O1 O 1.5547(2) -0.02080(19) 0.40540(10) 0.0706(4) Uani 1 1 d . . . . . N3 N 0.87462(19) -0.21889(15) 0.63448(8) 0.0402(3) Uani 1 1 d . . . . . N4 N 0.7201(2) -0.24553(17) 0.70059(8) 0.0459(3) Uani 1 1 d . . . . . H4 H 0.608632 -0.288020 0.693733 0.055 Uiso 1 1 calc R U . . . N1 N 1.5007(2) -0.10680(19) 0.35822(9) 0.0536(4) Uani 1 1 d . . . . . C14 C 0.9231(6) 0.4171(3) 0.90812(16) 0.0927(9) Uani 1 1 d . . . . . H12 H 0.912704 0.528337 0.912118 0.111 Uiso 1 1 calc R U . . . O2 O 1.6065(2) -0.1359(3) 0.29241(10) 0.0902(5) Uani 1 1 d . . . . . C4 C 0.9275(2) -0.32627(17) 0.42526(10) 0.0409(3) Uani 1 1 d . . . . . C7 C 0.8534(2) -0.26591(17) 0.56293(10) 0.0387(3) Uani 1 1 d . . . . . C5 C 1.0049(2) -0.24749(17) 0.48534(9) 0.0381(3) Uani 1 1 d . . . . . C11 C 0.9533(3) 0.0867(2) 0.89596(9) 0.0482(4) Uani 1 1 d . . . . . C6 C 1.1935(2) -0.17411(17) 0.46448(10) 0.0405(3) Uani 1 1 d . . . . . H5 H 1.246684 -0.120808 0.503152 0.049 Uiso 1 1 calc R U . . . C8 C 0.6800(2) -0.35815(18) 0.54405(10) 0.0419(3) Uani 1 1 d . . . . . C1 C 1.2999(2) -0.18392(18) 0.38275(10) 0.0434(3) Uani 1 1 d . . . . . C9 C 0.7401(2) -0.20484(19) 0.77914(10) 0.0436(3) Uani 1 1 d . . . . . C15 C 1.1125(5) 0.3465(3) 0.88761(15) 0.0905(8) Uani 1 1 d . . . . . H10 H 1.229583 0.409712 0.877534 0.109 Uiso 1 1 calc R U . . . C3 C 1.0347(3) -0.3347(2) 0.34442(11) 0.0503(4) Uani 1 1 d . . . . . H3 H 0.981530 -0.387379 0.305489 0.060 Uiso 1 1 calc R U . . . C2 C 1.2245(3) -0.2620(2) 0.32318(10) 0.0503(4) Uani 1 1 d . . . . . H2 H 1.301542 -0.265235 0.269178 0.060 Uiso 1 1 calc R U . . . C16 C 1.1266(3) 0.1796(3) 0.88213(12) 0.0654(5) Uani 1 1 d . . . . . H9 H 1.253880 0.130750 0.869065 0.079 Uiso 1 1 calc R U . . . C12 C 0.7652(3) 0.1607(3) 0.91663(13) 0.0643(5) Uani 1 1 d . . . . . H8 H 0.647125 0.098704 0.926617 0.077 Uiso 1 1 calc R U . . . C10 C 0.9695(3) -0.0932(2) 0.88982(11) 0.0546(4) Uani 1 1 d . . . . . H7 H 0.851899 -0.148724 0.925411 0.065 Uiso 1 1 calc R U . . . H6 H 1.090495 -0.138500 0.912275 0.065 Uiso 1 1 calc R U . . . C13 C 0.7520(5) 0.3256(3) 0.92249(16) 0.0866(8) Uani 1 1 d . . . . . H11 H 0.625047 0.374344 0.936369 0.104 Uiso 1 1 calc R U . . . 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 S2 0.0503(2) 0.0598(3) 0.0399(2) -0.01674(17) -0.01092(17) -0.00825(18) S1 0.0526(3) 0.0911(4) 0.0560(3) -0.0141(3) 0.0044(2) -0.0033(2) O3 0.0470(6) 0.0572(7) 0.0543(7) -0.0145(5) -0.0135(5) -0.0132(5) N2 0.0500(7) 0.0446(7) 0.0468(7) -0.0123(5) -0.0218(6) -0.0071(5) O1 0.0616(8) 0.0829(10) 0.0707(9) -0.0187(7) -0.0084(7) -0.0244(7) N3 0.0450(7) 0.0394(6) 0.0392(6) -0.0076(5) -0.0127(5) -0.0052(5) N4 0.0422(7) 0.0551(8) 0.0436(7) -0.0111(6) -0.0107(5) -0.0099(6) N1 0.0508(8) 0.0610(8) 0.0463(8) 0.0023(6) -0.0094(6) -0.0032(7) C14 0.166(3) 0.0507(12) 0.0684(15) -0.0092(10) -0.0414(17) 0.0047(16) O2 0.0698(10) 0.1412(16) 0.0580(9) -0.0251(9) 0.0098(7) -0.0261(10) C4 0.0481(8) 0.0367(7) 0.0425(8) -0.0061(6) -0.0210(6) -0.0002(6) C7 0.0433(8) 0.0347(7) 0.0420(8) -0.0068(6) -0.0168(6) -0.0038(6) C5 0.0465(8) 0.0336(6) 0.0375(7) -0.0050(5) -0.0169(6) -0.0006(6) C11 0.0669(10) 0.0530(9) 0.0284(7) -0.0096(6) -0.0152(7) 0.0018(7) C6 0.0470(8) 0.0367(7) 0.0404(7) -0.0045(6) -0.0164(6) -0.0027(6) C8 0.0463(8) 0.0372(7) 0.0474(8) -0.0082(6) -0.0206(7) -0.0027(6) C1 0.0472(8) 0.0419(8) 0.0411(8) -0.0001(6) -0.0138(6) -0.0003(6) C9 0.0472(8) 0.0436(8) 0.0411(8) -0.0064(6) -0.0109(6) 0.0013(6) C15 0.131(2) 0.0831(16) 0.0589(13) -0.0012(11) -0.0220(14) -0.0418(17) C3 0.0627(10) 0.0534(9) 0.0417(8) -0.0136(7) -0.0232(7) 0.0006(7) C2 0.0591(10) 0.0553(9) 0.0374(8) -0.0057(7) -0.0133(7) 0.0034(7) C16 0.0777(13) 0.0760(13) 0.0445(9) -0.0119(9) -0.0097(9) -0.0146(10) C12 0.0731(12) 0.0700(12) 0.0532(10) -0.0143(9) -0.0178(9) 0.0107(10) C10 0.0740(11) 0.0565(10) 0.0392(8) -0.0127(7) -0.0230(8) 0.0054(8) C13 0.122(2) 0.0751(15) 0.0686(14) -0.0216(12) -0.0300(14) 0.0361(15) _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 S2 C9 1.7420(16) . ? S2 C10 1.8217(16) . ? S1 C9 1.6432(17) . ? O3 C8 1.229(2) . ? N2 C8 1.359(2) . ? N2 C4 1.399(2) . ? N2 H1 0.8600 . ? O1 N1 1.213(2) . ? N3 C7 1.2897(19) . ? N3 N4 1.3423(18) . ? N4 C9 1.372(2) . ? N4 H4 0.8600 . ? N1 O2 1.216(2) . ? N1 C1 1.466(2) . ? C14 C13 1.356(4) . ? C14 C15 1.379(4) . ? C14 H12 0.9300 . ? C4 C3 1.377(2) . ? C4 C5 1.408(2) . ? C7 C5 1.452(2) . ? C7 C8 1.4984(19) . ? C5 C6 1.379(2) . ? C11 C16 1.375(3) . ? C11 C12 1.384(3) . ? C11 C10 1.503(2) . ? C6 C1 1.389(2) . ? C6 H5 0.9300 . ? C1 C2 1.391(2) . ? C15 C16 1.394(3) . ? C15 H10 0.9300 . ? C3 C2 1.385(3) . ? C3 H3 0.9300 . ? C2 H2 0.9300 . ? C16 H9 0.9300 . ? C12 C13 1.378(3) . ? C12 H8 0.9300 . ? C10 H7 0.9700 . ? C10 H6 0.9700 . ? C13 H11 0.9300 . ? 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 C9 S2 C10 102.78(9) . . ? C8 N2 C4 111.69(12) . . ? C8 N2 H1 124.2 . . ? C4 N2 H1 124.2 . . ? C7 N3 N4 117.97(13) . . ? N3 N4 C9 119.89(13) . . ? N3 N4 H4 120.1 . . ? C9 N4 H4 120.1 . . ? O1 N1 O2 123.42(16) . . ? O1 N1 C1 118.60(15) . . ? O2 N1 C1 117.96(16) . . ? C13 C14 C15 120.5(2) . . ? C13 C14 H12 119.7 . . ? C15 C14 H12 119.7 . . ? C3 C4 N2 128.66(14) . . ? C3 C4 C5 122.27(15) . . ? N2 C4 C5 109.06(13) . . ? N3 C7 C5 125.27(13) . . ? N3 C7 C8 128.22(14) . . ? C5 C7 C8 106.39(12) . . ? C6 C5 C4 120.48(14) . . ? C6 C5 C7 132.74(13) . . ? C4 C5 C7 106.77(13) . . ? C16 C11 C12 119.16(18) . . ? C16 C11 C10 120.03(17) . . ? C12 C11 C10 120.81(18) . . ? C5 C6 C1 116.56(14) . . ? C5 C6 H5 121.7 . . ? C1 C6 H5 121.7 . . ? O3 C8 N2 127.39(13) . . ? O3 C8 C7 126.52(14) . . ? N2 C8 C7 106.07(13) . . ? C6 C1 C2 123.22(15) . . ? C6 C1 N1 118.08(14) . . ? C2 C1 N1 118.70(15) . . ? N4 C9 S1 118.97(12) . . ? N4 C9 S2 111.91(11) . . ? S1 C9 S2 129.10(10) . . ? C14 C15 C16 119.3(2) . . ? C14 C15 H10 120.3 . . ? C16 C15 H10 120.3 . . ? C4 C3 C2 117.55(15) . . ? C4 C3 H3 121.2 . . ? C2 C3 H3 121.2 . . ? C3 C2 C1 119.90(16) . . ? C3 C2 H2 120.0 . . ? C1 C2 H2 120.0 . . ? C11 C16 C15 120.3(2) . . ? C11 C16 H9 119.9 . . ? C15 C16 H9 119.9 . . ? C13 C12 C11 120.4(2) . . ? C13 C12 H8 119.8 . . ? C11 C12 H8 119.8 . . ? C11 C10 S2 112.54(11) . . ? C11 C10 H7 109.1 . . ? S2 C10 H7 109.1 . . ? C11 C10 H6 109.1 . . ? S2 C10 H6 109.1 . . ? H7 C10 H6 107.8 . . ? C14 C13 C12 120.3(3) . . ? C14 C13 H11 119.8 . . ? C12 C13 H11 119.8 . . ? 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 C7 N3 N4 C9 176.78(13) . . . . ? C8 N2 C4 C3 179.54(15) . . . . ? C8 N2 C4 C5 0.11(17) . . . . ? N4 N3 C7 C5 -179.73(13) . . . . ? N4 N3 C7 C8 -4.2(2) . . . . ? C3 C4 C5 C6 0.4(2) . . . . ? N2 C4 C5 C6 179.86(12) . . . . ? C3 C4 C5 C7 -178.89(14) . . . . ? N2 C4 C5 C7 0.58(16) . . . . ? N3 C7 C5 C6 -3.8(3) . . . . ? C8 C7 C5 C6 179.85(15) . . . . ? N3 C7 C5 C4 175.39(14) . . . . ? C8 C7 C5 C4 -0.99(15) . . . . ? C4 C5 C6 C1 -0.5(2) . . . . ? C7 C5 C6 C1 178.59(14) . . . . ? C4 N2 C8 O3 -179.24(15) . . . . ? C4 N2 C8 C7 -0.73(16) . . . . ? N3 C7 C8 O3 3.3(3) . . . . ? C5 C7 C8 O3 179.58(14) . . . . ? N3 C7 C8 N2 -175.18(14) . . . . ? C5 C7 C8 N2 1.06(15) . . . . ? C5 C6 C1 C2 0.3(2) . . . . ? C5 C6 C1 N1 179.80(13) . . . . ? O1 N1 C1 C6 -9.0(2) . . . . ? O2 N1 C1 C6 169.24(16) . . . . ? O1 N1 C1 C2 170.48(16) . . . . ? O2 N1 C1 C2 -11.3(2) . . . . ? N3 N4 C9 S1 177.75(11) . . . . ? N3 N4 C9 S2 -3.68(18) . . . . ? C10 S2 C9 N4 -178.79(11) . . . . ? C10 S2 C9 S1 -0.40(14) . . . . ? C13 C14 C15 C16 -0.3(4) . . . . ? N2 C4 C3 C2 -179.46(14) . . . . ? C5 C4 C3 C2 -0.1(2) . . . . ? C4 C3 C2 C1 -0.1(2) . . . . ? C6 C1 C2 C3 0.0(2) . . . . ? N1 C1 C2 C3 -179.52(14) . . . . ? C12 C11 C16 C15 -1.0(3) . . . . ? C10 C11 C16 C15 179.91(17) . . . . ? C14 C15 C16 C11 0.8(3) . . . . ? C16 C11 C12 C13 0.6(3) . . . . ? C10 C11 C12 C13 179.70(17) . . . . ? C16 C11 C10 S2 -84.94(17) . . . . ? C12 C11 C10 S2 95.95(18) . . . . ? C9 S2 C10 C11 -104.99(14) . . . . ? C15 C14 C13 C12 -0.1(4) . . . . ? C11 C12 C13 C14 0.0(3) . . . . ? 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 N4 H4 O3 0.86 2.12 2.7863(17) 133.6 . C10 H7 S1 0.97 2.61 3.220(2) 121.4 . _refine_diff_density_max 0.361 _refine_diff_density_min -0.285 _refine_diff_density_rms 0.048 _shelx_res_file ; TITL SIR92 run in space group P -1 shelx.res created by SHELXL-2016/4 at 08:26:41 on 13-Jan-2021 CELL 0.71073 6.6403 8.2561 15.9083 80.802 80.708 87.908 ZERR 2.00 0.0000 0.0000 0.0000 0.000 0.000 0.000 LATT 1 SFAC C H N O S UNIT 32 24 8 6 4 MERG 2 EQIV $1 -x+1, -y-1, -z+ HTAB N2 O3_$1 HTAB N4 O3 EQIV $2 -x+3, -y, -z+ HTAB C6 O1_$2 HTAB C10 S1 FMAP 2 PLAN 25 ACTA HTAB 2.00000 BOND $H CONF L.S. 10 WGHT 0.052800 0.260700 FVAR 0.57329 S2 5 0.983209 -0.132788 0.779606 11.00000 0.05029 0.05984 = 0.03985 -0.01674 -0.01092 -0.00825 S1 5 0.545772 -0.232274 0.858048 11.00000 0.05256 0.09112 = 0.05603 -0.01413 0.00438 -0.00330 O3 4 0.522013 -0.399123 0.593682 11.00000 0.04705 0.05725 = 0.05429 -0.01450 -0.01351 -0.01319 N2 3 0.735529 -0.390264 0.462262 11.00000 0.05000 0.04457 = 0.04676 -0.01229 -0.02182 -0.00708 AFIX 43 H1 2 0.661752 -0.443380 0.436425 11.00000 -1.20000 AFIX 0 O1 4 1.554702 -0.020800 0.405399 11.00000 0.06155 0.08290 = 0.07070 -0.01869 -0.00844 -0.02436 N3 3 0.874620 -0.218890 0.634480 11.00000 0.04495 0.03944 = 0.03923 -0.00761 -0.01272 -0.00519 N4 3 0.720052 -0.245529 0.700589 11.00000 0.04224 0.05513 = 0.04358 -0.01108 -0.01066 -0.00989 AFIX 43 H4 2 0.608632 -0.288020 0.693733 11.00000 -1.20000 AFIX 0 N1 3 1.500691 -0.106805 0.358224 11.00000 0.05077 0.06096 = 0.04632 0.00231 -0.00938 -0.00322 C14 1 0.923102 0.417100 0.908116 11.00000 0.16617 0.05073 = 0.06838 -0.00924 -0.04144 0.00469 AFIX 43 H12 2 0.912704 0.528337 0.912118 11.00000 -1.20000 AFIX 0 O2 4 1.606488 -0.135891 0.292411 11.00000 0.06978 0.14120 = 0.05797 -0.02507 0.00975 -0.02606 C4 1 0.927522 -0.326272 0.425262 11.00000 0.04805 0.03668 = 0.04249 -0.00612 -0.02097 -0.00016 C7 1 0.853412 -0.265910 0.562928 11.00000 0.04335 0.03470 = 0.04200 -0.00680 -0.01683 -0.00377 C5 1 1.004867 -0.247490 0.485340 11.00000 0.04653 0.03360 = 0.03749 -0.00498 -0.01688 -0.00061 C11 1 0.953262 0.086746 0.895957 11.00000 0.06688 0.05299 = 0.02837 -0.00960 -0.01524 0.00176 C6 1 1.193497 -0.174106 0.464480 11.00000 0.04704 0.03673 = 0.04045 -0.00450 -0.01641 -0.00266 AFIX 43 H5 2 1.246684 -0.120808 0.503152 11.00000 -1.20000 AFIX 0 C8 1 0.679982 -0.358155 0.544052 11.00000 0.04634 0.03722 = 0.04743 -0.00824 -0.02061 -0.00268 C1 1 1.299897 -0.183918 0.382748 11.00000 0.04721 0.04193 = 0.04110 -0.00010 -0.01378 -0.00028 C9 1 0.740131 -0.204840 0.779137 11.00000 0.04718 0.04357 = 0.04108 -0.00641 -0.01088 0.00127 C15 1 1.112493 0.346537 0.887607 11.00000 0.13147 0.08314 = 0.05890 -0.00118 -0.02202 -0.04184 AFIX 43 H10 2 1.229583 0.409712 0.877534 11.00000 -1.20000 AFIX 0 C3 1 1.034687 -0.334725 0.344416 11.00000 0.06265 0.05337 = 0.04171 -0.01360 -0.02321 0.00063 AFIX 43 H3 2 0.981530 -0.387379 0.305489 11.00000 -1.20000 AFIX 0 C2 1 1.224526 -0.261953 0.323182 11.00000 0.05912 0.05529 = 0.03744 -0.00571 -0.01327 0.00337 AFIX 43 H2 2 1.301542 -0.265235 0.269178 11.00000 -1.20000 AFIX 0 C16 1 1.126620 0.179562 0.882130 11.00000 0.07774 0.07603 = 0.04445 -0.01191 -0.00975 -0.01456 AFIX 43 H9 2 1.253880 0.130750 0.869065 11.00000 -1.20000 AFIX 0 C12 1 0.765216 0.160665 0.916627 11.00000 0.07307 0.07003 = 0.05325 -0.01429 -0.01781 0.01071 AFIX 43 H8 2 0.647125 0.098704 0.926617 11.00000 -1.20000 AFIX 0 C10 1 0.969507 -0.093209 0.889821 11.00000 0.07401 0.05646 = 0.03923 -0.01265 -0.02301 0.00536 AFIX 23 H7 2 0.851899 -0.148724 0.925411 11.00000 -1.20000 H6 2 1.090495 -0.138500 0.912275 11.00000 -1.20000 AFIX 0 C13 1 0.751995 0.325594 0.922487 11.00000 0.12163 0.07509 = 0.06864 -0.02158 -0.03001 0.03608 AFIX 43 H11 2 0.625047 0.374344 0.936369 11.00000 -1.20000 AFIX 0 HKLF 4 REM SIR92 run in space group P -1 REM R1 = 0.0367 for 3200 Fo > 4sig(Fo) and 0.0398 for all 3518 data REM 226 parameters refined using 0 restraints END WGHT 0.0528 0.2607 REM Instructions for potential hydrogen bonds EQIV $3 -x+1, -y-1, -z+ HTAB N2 O3_$3 HTAB N4 O3 EQIV $4 -x+3, -y, -z+ HTAB C6 O1_$4 HTAB C10 S1 REM Highest difference peak 0.361, deepest hole -0.285, 1-sigma level 0.048 Q1 1 0.8572 -0.0962 0.7832 11.00000 0.05 0.36 Q2 1 0.5407 -0.1438 0.8229 11.00000 0.05 0.28 Q3 1 0.4639 -0.3042 0.8516 11.00000 0.05 0.20 Q4 1 0.7743 -0.3147 0.5587 11.00000 0.05 0.19 Q5 1 0.9715 -0.2893 0.4546 11.00000 0.05 0.17 Q6 1 0.9560 -0.2679 0.5230 11.00000 0.05 0.17 Q7 1 0.9637 0.0239 0.8830 11.00000 0.05 0.17 Q8 1 0.8778 0.1167 0.8914 11.00000 0.05 0.16 Q9 1 0.9875 -0.2431 0.7850 11.00000 0.05 0.16 Q10 1 1.0304 0.1261 0.8816 11.00000 0.05 0.16 Q11 1 1.5699 -0.2339 0.2894 11.00000 0.05 0.15 Q12 1 1.1000 -0.2489 0.4802 11.00000 0.05 0.14 Q13 1 1.5204 -0.0599 0.2722 11.00000 0.05 0.14 Q14 1 1.2795 -0.2410 0.4371 11.00000 0.05 0.13 Q15 1 0.9466 -0.1422 0.6334 11.00000 0.05 0.13 Q16 1 1.3172 0.3405 0.8801 11.00000 0.05 0.13 Q17 1 1.2586 0.3130 0.8761 11.00000 0.05 0.13 Q18 1 0.9401 0.0182 0.7559 11.00000 0.05 0.13 Q19 1 0.8620 -0.0577 0.8980 11.00000 0.05 0.13 Q20 1 1.0094 -0.3826 0.4010 11.00000 0.05 0.13 Q21 1 0.9895 -0.0444 0.7248 11.00000 0.05 0.12 Q22 1 0.8473 -0.3768 0.4408 11.00000 0.05 0.12 Q23 1 1.2629 -0.2383 0.3595 11.00000 0.05 0.12 Q24 1 0.9741 -0.2034 0.9236 11.00000 0.05 0.12 Q25 1 1.1730 -0.1112 0.8842 11.00000 0.05 0.12 ; _shelx_res_checksum 35824 _shelx_hkl_file ; -1 0 0 321.17 24.20 -1 0 0 351.76 24.10 -1 0 0 379.86 24.10 -1 0 0 375.36 24.10 -1 0 0 318.47 24.10 -1 0 0 363.16 24.20 -1 0 0 359.06 24.10 1 0 0 401.46 24.20 1 0 0 366.66 24.20 1 0 0 371.76 24.20 1 0 0 377.46 24.20 1 0 0 375.96 24.10 -2 0 0 607.44 37.60 -2 0 0 603.64 37.50 -2 0 0 497.25 37.50 -2 0 0 568.44 37.50 -2 0 0 600.44 37.60 -2 0 0 582.44 37.50 -2 0 0 528.85 38.70 2 0 0 571.64 37.50 2 0 0 554.54 37.50 2 0 0 527.75 37.50 2 0 0 576.04 37.50 2 0 0 561.94 37.50 -3 0 0 2.00 0.20 -3 0 0 1.90 0.20 -3 0 0 1.90 0.20 -3 0 0 2.80 0.20 3 0 0 2.40 0.30 -4 0 0 463.15 30.20 -4 0 0 471.95 30.30 -4 0 0 476.75 30.40 -4 0 0 419.96 30.30 -4 0 0 479.35 30.30 -4 0 0 486.35 30.20 4 0 0 455.75 30.30 4 0 0 457.85 30.30 4 0 0 417.76 30.30 4 0 0 442.86 30.30 -5 0 0 1.30 0.30 -5 0 0 1.20 0.20 -5 0 0 1.10 0.20 5 0 0 1.30 0.30 5 0 0 1.50 0.30 5 0 0 2.10 0.30 -6 0 0 7.10 1.20 -6 0 0 5.70 0.60 -6 0 0 6.50 0.50 -6 0 0 7.10 0.70 6 0 0 7.60 0.70 6 0 0 8.30 0.80 -7 0 0 20.50 2.50 -7 0 0 24.50 1.70 -7 0 0 24.80 1.80 -7 0 0 25.70 1.90 7 0 0 24.30 1.80 -8 0 0 2.20 0.90 -8 0 0 2.50 0.50 -8 0 0 2.70 0.40 8 -1 0 2.80 0.50 -8 1 0 1.30 0.80 -8 1 0 1.70 0.40 -8 1 0 1.80 0.30 7 -1 0 10.70 1.00 -7 1 0 10.50 0.80 -7 1 0 8.40 1.60 -7 1 0 9.70 0.90 -7 1 0 11.00 0.90 6 -1 0 36.80 2.40 6 -1 0 33.90 2.40 -6 1 0 33.80 2.40 -6 1 0 30.10 3.10 -6 1 0 32.80 2.40 5 -1 0 105.99 7.10 5 -1 0 110.29 7.10 5 -1 0 105.59 7.10 -5 1 0 104.09 7.10 -5 1 0 107.99 7.00 -5 1 0 109.39 7.00 -5 1 0 91.59 7.60 -5 1 0 99.69 7.00 -5 1 0 108.29 7.00 -5 1 0 105.69 7.00 4 -1 0 5.80 0.50 4 -1 0 5.80 0.60 4 -1 0 5.70 0.60 -4 1 0 5.20 0.50 -4 1 0 6.30 0.40 -4 1 0 4.90 0.90 -4 1 0 5.20 0.50 -4 1 0 5.30 0.40 -4 1 0 5.30 0.50 -4 1 0 6.10 0.40 -4 1 0 6.10 0.40 3 -1 0 546.75 35.30 3 -1 0 543.95 35.30 3 -1 0 524.75 35.30 3 -1 0 521.15 35.50 -3 1 0 510.75 35.30 -3 1 0 567.94 35.30 -3 1 0 454.55 35.60 -3 1 0 576.54 35.40 -3 1 0 521.25 35.50 -3 1 0 503.85 35.30 -3 1 0 507.75 35.30 -3 1 0 563.14 35.30 -3 1 0 541.65 35.40 -3 1 0 538.95 35.50 -3 1 0 598.14 35.30 -3 1 0 523.35 35.30 2 -1 0 175.68 11.30 2 -1 0 159.28 11.20 2 -1 0 180.38 11.30 2 -1 0 170.78 11.30 2 -1 0 181.88 11.20 2 -1 0 178.58 11.30 2 -1 0 145.89 11.30 -2 1 0 176.18 11.20 -2 1 0 162.08 11.20 -2 1 0 182.78 11.20 -2 1 0 160.28 11.20 -2 1 0 161.28 11.20 -2 1 0 164.68 11.30 -2 1 0 166.98 11.30 -2 1 0 173.98 11.30 -2 1 0 177.68 11.30 1 -1 0 402.36 30.20 1 -1 0 499.55 30.30 1 -1 0 463.05 30.20 1 -1 0 470.45 30.30 1 -1 0 462.95 30.30 1 -1 0 440.46 30.20 1 -1 0 490.65 30.20 1 -1 0 489.15 30.30 -1 1 0 467.55 30.20 -1 1 0 497.55 30.20 -1 1 0 450.45 30.30 -1 1 0 405.86 30.20 -1 1 0 471.05 30.20 -1 1 0 405.26 30.80 -1 1 0 447.36 30.20 -1 1 0 437.16 30.20 0 -1 0 478.55 30.90 0 -1 0 486.85 30.90 0 -1 0 478.35 31.00 0 -1 0 411.26 31.20 0 -1 0 449.76 30.90 0 -1 0 459.15 31.00 0 -1 0 456.95 30.90 0 1 0 487.05 30.90 0 1 0 452.05 31.00 0 1 0 507.65 30.90 0 1 0 464.35 31.00 0 1 0 421.66 31.20 -1 -1 0 445.06 30.10 -1 -1 0 491.75 30.10 -1 -1 0 424.16 30.10 -1 -1 0 421.16 30.20 -1 -1 0 441.96 30.20 -1 -1 0 490.65 30.10 -1 -1 0 463.65 30.10 1 1 0 455.35 30.10 1 1 0 469.65 30.10 1 1 0 463.35 30.10 1 1 0 453.25 30.20 1 1 0 447.56 30.10 1 1 0 450.45 30.10 1 1 0 450.75 30.10 -2 -1 0 333.37 21.70 -2 -1 0 347.37 22.00 -2 -1 0 312.37 21.70 -2 -1 0 293.87 21.70 -2 -1 0 330.87 21.80 -2 -1 0 321.37 21.70 -2 -1 0 337.17 21.70 -2 -1 0 327.87 21.70 -2 -1 0 355.66 21.80 -2 -1 0 335.27 21.70 2 1 0 303.97 21.70 2 1 0 321.07 21.70 2 1 0 323.47 21.70 2 1 0 355.76 21.70 2 1 0 322.67 22.80 -3 -1 0 342.07 22.90 -3 -1 0 367.96 23.00 -3 -1 0 310.87 23.00 -3 -1 0 339.27 23.00 -3 -1 0 352.86 22.90 -3 -1 0 351.46 23.00 -3 -1 0 385.46 22.90 -3 -1 0 345.17 23.00 -3 -1 0 324.17 23.00 -3 -1 0 377.76 23.00 3 1 0 351.96 23.00 3 1 0 348.07 23.00 3 1 0 329.27 23.00 3 1 0 333.17 23.00 -4 -1 0 34.00 2.30 -4 -1 0 30.60 2.30 -4 -1 0 36.60 2.20 -4 -1 0 31.10 2.40 -4 -1 0 35.80 2.40 -4 -1 0 35.20 2.30 -4 -1 0 33.60 2.30 4 1 0 33.70 2.30 4 1 0 33.30 2.30 4 1 0 32.60 2.40 -5 -1 0 2.40 0.20 -5 -1 0 2.00 0.20 -5 -1 0 1.90 0.40 -5 -1 0 1.70 0.20 -5 -1 0 1.90 0.20 -5 -1 0 2.50 0.20 5 1 0 2.80 0.30 5 1 0 1.90 0.30 5 1 0 2.40 0.40 -6 -1 0 87.29 6.10 -6 -1 0 88.69 5.90 -6 -1 0 88.79 6.00 6 1 0 89.39 5.90 6 1 0 88.19 6.00 6 1 0 90.29 6.10 -7 -1 0 0.40 0.20 -7 -1 0 0.10 0.50 -7 -1 0 0.30 0.30 -7 -1 0 0.50 0.20 7 1 0 0.40 0.30 -8 -1 0 -0.10 0.20 -8 -1 0 -0.30 0.20 -8 -1 0 -0.10 0.50 8 -2 0 1.70 0.40 8 -2 0 1.50 0.40 -8 2 0 1.70 0.90 -8 2 0 1.90 0.40 7 -2 0 6.40 0.80 7 -2 0 8.90 0.80 -7 2 0 5.70 1.40 -7 2 0 7.80 0.70 -7 2 0 7.30 0.70 -7 2 0 6.60 0.60 -7 2 0 7.20 0.50 6 -2 0 6.60 0.70 6 -2 0 7.90 0.70 -6 2 0 6.80 0.60 -6 2 0 8.20 0.70 -6 2 0 7.60 0.60 -6 2 0 6.00 1.30 -6 2 0 7.10 0.60 5 -2 0 8.50 0.70 5 -2 0 8.20 0.70 -5 2 0 7.60 0.60 -5 2 0 6.70 0.60 -5 2 0 6.60 0.60 -5 2 0 6.10 1.20 -5 2 0 6.90 0.60 -5 2 0 7.00 0.60 -5 2 0 8.40 0.60 4 -2 0 23.90 1.60 4 -2 0 22.10 1.70 4 -2 0 25.10 1.70 4 -2 0 23.90 1.70 -4 2 0 22.30 1.60 -4 2 0 23.60 1.60 -4 2 0 22.60 1.70 -4 2 0 25.20 1.70 -4 2 0 24.60 1.60 -4 2 0 20.50 2.10 -4 2 0 23.20 1.70 -4 2 0 24.60 1.70 3 -2 0 206.58 12.80 3 -2 0 188.48 12.70 3 -2 0 181.28 12.80 3 -2 0 210.18 12.70 3 -2 0 210.98 12.70 3 -2 0 169.48 12.70 3 -2 0 191.78 12.80 -3 2 0 187.88 12.70 -3 2 0 200.78 12.70 -3 2 0 185.98 12.70 -3 2 0 188.38 12.80 -3 2 0 163.38 13.10 -3 2 0 200.88 12.70 -3 2 0 208.38 12.80 -3 2 0 193.08 12.70 -3 2 0 182.88 12.70 -3 2 0 193.08 12.80 2 -2 0 165.08 11.30 2 -2 0 167.98 11.30 2 -2 0 181.08 11.30 2 -2 0 177.88 11.30 2 -2 0 168.28 11.30 2 -2 0 182.18 11.40 2 -2 0 183.48 11.30 -2 2 0 147.59 11.60 -2 2 0 162.68 11.30 -2 2 0 159.78 11.30 -2 2 0 163.68 11.30 -2 2 0 167.38 11.30 -2 2 0 187.48 11.30 -2 2 0 173.08 11.30 1 -2 0 266.67 20.30 1 -2 0 282.27 20.10 1 -2 0 283.07 20.10 1 -2 0 291.57 20.10 1 -2 0 345.77 20.20 1 -2 0 300.57 20.10 1 -2 0 331.37 20.20 1 -2 0 331.17 20.10 -1 2 0 320.77 20.10 -1 2 0 267.27 20.30 -1 2 0 302.37 20.10 -1 2 0 320.67 20.20 -1 2 0 304.47 20.20 -1 2 0 278.07 20.10 -1 2 0 306.37 20.10 -1 2 0 320.77 20.10 -1 2 0 319.67 20.10 0 -2 0 2582.74 169.88 0 -2 0 2695.93 168.48 0 -2 0 2411.16 170.88 0 -2 0 2594.84 168.48 0 2 0 2463.35 168.38 0 2 0 2509.05 168.38 0 2 0 2553.94 168.18 0 2 0 2728.23 170.48 0 2 0 2146.89 174.58 0 2 0 2744.93 168.28 -1 -2 0 4.70 0.40 -1 -2 0 4.00 0.40 -1 -2 0 5.10 0.40 -1 -2 0 4.10 0.40 -1 -2 0 4.40 0.40 -1 -2 0 4.30 0.30 -1 -2 0 4.80 0.40 1 2 0 4.00 0.40 1 2 0 4.80 0.40 1 2 0 4.50 0.30 1 2 0 4.90 0.40 1 2 0 4.10 0.40 1 2 0 4.30 0.30 1 2 0 4.10 0.30 -2 -2 0 135.89 9.10 -2 -2 0 124.49 9.00 -2 -2 0 147.49 9.00 -2 -2 0 134.79 9.10 -2 -2 0 140.19 9.00 -2 -2 0 125.89 9.10 -2 -2 0 143.59 9.10 2 2 0 137.89 9.10 2 2 0 127.29 9.00 2 2 0 139.59 9.10 2 2 0 136.49 9.00 2 2 0 142.19 9.00 2 2 0 132.49 9.10 2 2 0 141.09 9.00 -3 -2 0 87.39 6.00 -3 -2 0 82.19 6.00 -3 -2 0 90.79 6.00 -3 -2 0 89.99 6.00 -3 -2 0 98.29 6.10 -3 -2 0 93.39 6.00 -3 -2 0 82.59 5.90 -3 -2 0 87.29 6.00 -3 -2 0 90.19 6.00 3 2 0 92.09 6.10 3 2 0 94.69 5.90 3 2 0 83.49 6.00 3 2 0 91.89 6.00 3 2 0 91.29 6.00 -4 -2 0 3.50 0.30 -4 -2 0 2.20 0.20 -4 -2 0 2.80 0.30 -4 -2 0 1.50 0.30 -4 -2 0 2.60 0.30 -4 -2 0 2.00 0.30 -4 -2 0 2.60 0.30 -4 -2 0 2.70 0.30 4 2 0 2.40 0.30 4 2 0 2.40 0.40 4 2 0 2.70 0.30 -5 -2 0 0.30 0.20 -5 -2 0 0.30 0.10 -5 -2 0 0.40 0.10 -5 -2 0 0.50 0.10 -5 -2 0 0.60 0.10 -5 -2 0 0.50 0.10 5 2 0 0.30 0.10 5 2 0 0.30 0.20 -6 -2 0 6.10 0.50 -6 -2 0 5.70 0.50 -6 -2 0 6.10 0.70 -6 -2 0 5.20 0.50 6 2 0 6.30 0.50 6 2 0 5.30 0.70 -7 -2 0 11.70 1.20 -7 -2 0 10.80 0.90 -7 -2 0 11.70 0.90 7 2 0 12.10 0.90 7 2 0 11.60 1.10 -8 -2 0 6.90 0.90 -8 -2 0 6.30 1.30 -8 -2 0 5.90 0.60 8 2 0 6.20 0.80 7 -3 0 2.30 0.50 7 -3 0 2.00 0.40 -7 3 0 2.40 0.30 -7 3 0 1.90 0.30 -7 3 0 1.90 1.00 -7 3 0 1.90 0.40 6 -3 0 6.90 0.70 6 -3 0 7.00 0.80 -6 3 0 4.40 1.20 -6 3 0 6.40 0.60 -6 3 0 6.70 0.60 -6 3 0 6.70 0.60 -6 3 0 7.20 0.60 5 -3 0 10.70 0.80 5 -3 0 11.00 0.90 5 -3 0 9.00 0.90 -5 3 0 9.80 0.80 -5 3 0 9.60 0.80 -5 3 0 10.30 0.80 -5 3 0 9.40 0.80 -5 3 0 7.60 1.40 -5 3 0 10.20 0.80 -5 3 0 9.20 0.80 -5 3 0 9.60 0.80 4 -3 0 0.00 0.10 4 -3 0 0.10 0.20 4 -3 0 0.10 0.10 4 -3 0 0.20 0.10 -4 3 0 0.30 0.10 -4 3 0 0.00 0.10 -4 3 0 0.00 0.10 -4 3 0 0.10 0.10 -4 3 0 0.20 0.10 -4 3 0 0.10 0.10 -4 3 0 0.00 0.10 -4 3 0 0.00 0.30 3 -3 0 48.80 3.30 3 -3 0 52.79 3.20 3 -3 0 46.10 3.20 3 -3 0 50.69 3.20 3 -3 0 47.60 3.20 3 -3 0 51.39 3.20 3 -3 0 47.40 3.30 3 -3 0 42.50 3.20 -3 3 0 40.70 3.70 -3 3 0 47.30 3.30 -3 3 0 46.10 3.20 -3 3 0 46.70 3.30 -3 3 0 47.00 3.20 -3 3 0 49.60 3.20 -3 3 0 45.40 3.20 2 -3 0 31.60 2.30 2 -3 0 34.90 2.30 2 -3 0 36.70 2.20 2 -3 0 29.10 2.60 2 -3 0 37.00 2.30 2 -3 0 32.60 2.30 2 -3 0 34.10 2.30 2 -3 0 32.10 2.30 2 -3 0 32.70 2.30 2 -3 0 35.30 2.30 -2 3 0 33.50 2.30 -2 3 0 32.70 2.30 -2 3 0 31.90 2.30 -2 3 0 35.10 2.30 -2 3 0 28.60 2.60 -2 3 0 33.60 2.30 -2 3 0 37.60 2.40 -2 3 0 31.60 2.30 -2 3 0 32.30 2.30 -2 3 0 34.40 2.20 1 -3 0 54.59 3.60 1 -3 0 53.09 3.60 1 -3 0 58.99 3.60 1 -3 0 53.79 3.70 1 -3 0 51.19 3.60 1 -3 0 48.70 3.60 -1 3 0 54.99 3.60 -1 3 0 52.69 3.60 -1 3 0 54.99 3.60 -1 3 0 49.80 3.60 -1 3 0 52.09 3.60 -1 3 0 51.29 3.70 -1 3 0 55.59 3.60 0 -3 0 133.29 10.00 0 -3 0 141.89 9.90 0 -3 0 145.79 9.90 0 -3 0 155.68 9.90 0 -3 0 158.18 9.80 0 3 0 141.79 10.00 0 3 0 134.09 9.90 0 3 0 157.08 9.90 0 3 0 152.78 9.90 0 3 0 162.28 9.90 -1 -3 0 7.30 0.70 -1 -3 0 8.30 0.60 -1 -3 0 7.80 0.60 -1 -3 0 8.10 0.60 -1 -3 0 8.00 0.60 -1 -3 0 7.30 0.70 1 3 0 9.40 0.70 1 3 0 8.70 0.70 1 3 0 6.90 0.60 1 3 0 8.30 0.70 1 3 0 8.40 0.60 -2 -3 0 61.39 3.60 -2 -3 0 56.29 3.80 -2 -3 0 50.19 3.70 -2 -3 0 54.99 3.70 -2 -3 0 48.70 3.70 -2 -3 0 52.89 3.70 -2 -3 0 54.89 3.70 -2 -3 0 57.89 3.80 -2 -3 0 56.39 3.70 2 3 0 52.79 3.70 2 3 0 53.69 3.70 2 3 0 51.19 3.70 2 3 0 56.59 3.70 2 3 0 55.89 3.80 2 3 0 50.29 3.70 2 3 0 55.49 3.70 2 3 0 60.29 3.70 -3 -3 0 16.80 1.20 -3 -3 0 19.90 1.20 -3 -3 0 16.70 1.30 -3 -3 0 18.00 1.30 -3 -3 0 17.40 1.20 -3 -3 0 19.00 1.30 -3 -3 0 18.70 1.30 3 3 0 16.70 1.20 3 3 0 16.90 1.20 3 3 0 20.10 1.40 3 3 0 17.50 1.20 3 3 0 15.90 1.20 3 3 0 17.90 1.30 3 3 0 16.90 1.20 -4 -3 0 35.80 2.50 -4 -3 0 37.50 2.40 -4 -3 0 35.70 2.40 -4 -3 0 31.80 2.40 -4 -3 0 32.40 2.40 -4 -3 0 31.60 2.40 -4 -3 0 35.00 2.40 4 3 0 36.90 2.60 4 3 0 35.00 2.40 4 3 0 35.70 2.40 4 3 0 35.30 2.50 4 3 0 38.50 2.40 -5 -3 0 30.40 2.10 -5 -3 0 28.00 2.30 -5 -3 0 30.20 2.10 -5 -3 0 27.50 2.00 -5 -3 0 28.80 2.10 -5 -3 0 33.00 2.10 5 3 0 29.60 2.00 5 3 0 30.20 2.20 -6 -3 0 50.29 3.60 -6 -3 0 57.39 3.60 -6 -3 0 50.09 3.60 -6 -3 0 48.70 3.80 6 3 0 52.29 3.70 6 3 0 54.59 3.60 -7 -3 0 8.50 1.00 -7 -3 0 7.70 0.70 -7 -3 0 8.30 0.70 -7 -3 0 8.40 0.60 7 3 0 7.20 0.80 7 3 0 6.60 0.70 7 -4 0 4.90 0.70 7 -4 0 4.90 0.70 -7 4 0 5.00 0.60 -7 4 0 4.30 0.50 -7 4 0 3.60 1.20 6 -4 0 1.40 0.40 6 -4 0 1.90 0.40 -6 4 0 1.80 0.30 -6 4 0 1.40 0.40 -6 4 0 1.40 0.90 5 -4 0 18.60 1.40 5 -4 0 19.60 1.40 5 -4 0 18.10 1.40 -5 4 0 17.80 1.30 -5 4 0 16.70 1.30 -5 4 0 18.90 1.30 -5 4 0 17.70 1.40 -5 4 0 14.10 2.00 -5 4 0 17.90 1.40 4 -4 0 12.30 1.00 4 -4 0 12.30 1.00 4 -4 0 13.20 0.90 4 -4 0 13.80 0.90 4 -4 0 11.90 1.00 -4 4 0 12.20 1.00 -4 4 0 13.10 0.90 -4 4 0 11.60 1.00 -4 4 0 11.90 1.00 -4 4 0 12.80 1.00 -4 4 0 9.90 1.40 3 -4 0 106.59 6.90 3 -4 0 103.29 6.80 3 -4 0 97.99 6.80 3 -4 0 109.19 6.80 3 -4 0 105.99 6.80 3 -4 0 101.29 6.90 -3 4 0 88.69 7.30 -3 4 0 101.59 6.90 -3 4 0 99.49 6.90 -3 4 0 105.79 6.80 -3 4 0 104.99 6.80 -3 4 0 96.09 6.80 2 -4 0 31.50 2.00 2 -4 0 27.40 2.00 2 -4 0 29.80 2.00 2 -4 0 28.10 2.10 2 -4 0 33.60 2.00 2 -4 0 25.50 2.10 2 -4 0 31.00 2.10 2 -4 0 29.50 2.00 -2 4 0 27.20 2.10 -2 4 0 29.90 2.00 -2 4 0 27.70 2.10 -2 4 0 25.60 2.40 -2 4 0 28.30 2.10 -2 4 0 30.80 2.00 -2 4 0 29.10 2.00 1 -4 0 137.89 8.40 1 -4 0 121.19 8.40 1 -4 0 124.29 8.40 1 -4 0 120.39 8.40 1 -4 0 133.59 8.30 1 -4 0 125.09 8.40 1 -4 0 131.39 8.40 1 -4 0 135.99 8.40 1 -4 0 110.79 8.70 -1 4 0 121.29 8.40 -1 4 0 109.89 8.60 -1 4 0 122.59 8.50 -1 4 0 128.39 8.40 -1 4 0 136.09 8.30 -1 4 0 122.39 8.40 -1 4 0 123.59 8.40 0 -4 0 167.18 10.80 0 -4 0 176.48 10.80 0 -4 0 158.48 10.80 0 -4 0 162.88 10.90 0 -4 0 167.18 10.80 0 -4 0 151.68 10.90 0 -4 0 141.59 11.00 0 4 0 160.78 10.80 0 4 0 166.38 10.80 0 4 0 178.08 10.80 0 4 0 152.28 10.90 0 4 0 173.18 10.80 0 4 0 155.48 11.00 -1 -4 0 84.59 6.30 -1 -4 0 79.79 6.40 -1 -4 0 95.09 6.20 -1 -4 0 87.19 6.30 -1 -4 0 100.09 6.20 -1 -4 0 88.99 6.30 -1 -4 0 91.69 6.30 1 4 0 96.29 6.30 1 4 0 105.39 6.30 1 4 0 94.99 6.30 1 4 0 85.59 6.20 1 4 0 95.39 6.30 1 4 0 95.19 6.20 1 4 0 105.49 6.40 -2 -4 0 71.89 5.30 -2 -4 0 86.89 5.10 -2 -4 0 71.29 5.20 -2 -4 0 72.69 5.30 -2 -4 0 77.79 5.30 -2 -4 0 79.89 5.20 -2 -4 0 68.59 5.20 -2 -4 0 74.89 5.30 2 4 0 79.39 5.20 2 4 0 79.09 5.20 2 4 0 80.19 5.10 2 4 0 71.89 5.20 2 4 0 76.49 5.20 2 4 0 78.69 5.20 2 4 0 85.89 5.30 -3 -4 0 89.69 5.50 -3 -4 0 82.29 5.70 -3 -4 0 73.79 5.60 -3 -4 0 76.39 5.70 -3 -4 0 86.89 5.70 -3 -4 0 83.99 5.60 3 4 0 83.59 5.60 3 4 0 84.19 5.60 3 4 0 81.19 5.60 3 4 0 86.29 5.50 3 4 0 83.89 5.60 3 4 0 91.09 5.80 3 4 0 80.39 5.60 -4 -4 0 42.10 2.80 -4 -4 0 39.80 2.90 -4 -4 0 43.80 2.80 -4 -4 0 37.90 2.80 -4 -4 0 40.60 2.90 4 4 0 43.60 3.00 4 4 0 41.80 2.80 4 4 0 41.40 2.90 -5 -4 0 0.40 0.20 -5 -4 0 0.50 0.20 -5 -4 0 0.30 0.30 -5 -4 0 0.40 0.20 -5 -4 0 0.40 0.20 5 4 0 1.30 0.40 5 4 0 0.50 0.20 5 4 0 0.40 0.10 -6 -4 0 21.50 1.70 -6 -4 0 23.40 2.00 -6 -4 0 24.20 1.70 -6 -4 0 23.00 1.70 6 4 0 23.60 1.80 6 4 0 24.10 1.70 -7 -4 0 2.70 0.40 -7 -4 0 2.30 0.50 -7 -4 0 2.40 0.30 7 4 0 3.10 0.40 7 4 0 2.20 0.50 7 -5 0 0.60 0.40 7 -5 0 1.00 0.40 -7 5 0 0.70 0.80 -7 5 0 0.70 0.30 -7 5 0 1.10 0.30 6 -5 0 23.00 1.80 6 -5 0 25.70 1.80 -6 5 0 21.50 1.70 -6 5 0 17.10 2.40 -6 5 0 22.90 1.80 5 -5 0 5.50 0.50 5 -5 0 5.20 0.60 5 -5 0 5.50 0.70 -5 5 0 4.50 1.20 -5 5 0 4.20 0.50 -5 5 0 5.30 0.60 -5 5 0 4.90 0.60 4 -5 0 43.60 2.80 4 -5 0 36.40 2.80 4 -5 0 41.80 2.70 4 -5 0 40.10 2.70 4 -5 0 41.40 2.80 -4 5 0 39.20 2.80 -4 5 0 36.70 2.80 -4 5 0 37.20 2.80 -4 5 0 43.30 2.80 -4 5 0 33.60 3.40 -4 5 0 40.20 2.80 -4 5 0 36.20 2.60 3 -5 0 54.19 3.70 3 -5 0 55.69 3.70 3 -5 0 58.59 3.70 3 -5 0 56.59 3.80 3 -5 0 53.59 3.80 3 -5 0 56.79 3.70 3 -5 0 57.39 3.80 -3 5 0 53.39 3.90 -3 5 0 52.49 3.80 -3 5 0 47.90 4.30 -3 5 0 51.99 3.80 -3 5 0 54.79 3.70 2 -5 0 84.69 5.40 2 -5 0 81.69 5.50 2 -5 0 81.19 5.60 2 -5 0 80.19 5.50 2 -5 0 86.29 5.50 -2 5 0 84.29 5.50 -2 5 0 79.09 5.50 -2 5 0 71.69 5.90 -2 5 0 80.89 5.60 -2 5 0 79.39 5.60 1 -5 0 40.50 2.60 1 -5 0 38.70 2.60 1 -5 0 36.90 2.70 1 -5 0 35.70 2.60 1 -5 0 37.50 2.70 1 -5 0 33.70 3.10 -1 5 0 32.50 2.90 -1 5 0 37.50 2.70 -1 5 0 37.70 2.60 -1 5 0 38.40 2.70 -1 5 0 40.00 2.60 -1 5 0 38.00 2.60 0 -5 0 41.00 2.90 0 -5 0 45.40 2.90 0 -5 0 37.10 3.00 0 -5 0 41.80 3.00 0 -5 0 35.70 3.20 0 5 0 43.60 2.90 0 5 0 44.80 3.00 0 5 0 45.10 2.90 0 5 0 46.30 2.90 0 5 0 39.60 3.10 -1 -5 0 186.88 13.20 -1 -5 0 182.08 13.20 -1 -5 0 187.48 13.10 -1 -5 0 192.18 13.10 -1 -5 0 205.08 13.00 -1 -5 0 189.98 13.10 1 5 0 179.48 13.20 1 5 0 201.08 13.20 1 5 0 202.88 13.10 1 5 0 203.68 13.10 1 5 0 214.28 13.20 1 5 0 212.28 13.20 -2 -5 0 22.60 1.70 -2 -5 0 19.70 1.80 -2 -5 0 21.50 1.60 -2 -5 0 20.40 1.70 -2 -5 0 24.20 1.60 2 5 0 21.00 1.60 2 5 0 26.90 1.70 2 5 0 24.40 1.80 2 5 0 22.60 1.60 2 5 0 22.40 1.70 2 5 0 24.50 1.60 -3 -5 0 23.10 1.80 -3 -5 0 23.60 1.90 -3 -5 0 26.00 1.90 -3 -5 0 26.70 1.80 3 5 0 27.40 2.00 3 5 0 25.50 1.90 3 5 0 25.10 1.80 3 5 0 25.30 1.80 3 5 0 25.90 1.80 3 5 0 27.40 1.80 -4 -5 0 38.70 2.90 -4 -5 0 40.80 3.00 -4 -5 0 42.30 3.00 -4 -5 0 42.50 2.90 -4 -5 0 42.90 2.80 -4 -5 0 37.20 3.00 4 5 0 45.10 2.90 4 5 0 38.30 2.80 4 5 0 43.40 2.90 4 5 0 46.20 2.80 4 5 0 41.80 3.10 -5 -5 0 28.10 2.30 -5 -5 0 27.30 2.00 -5 -5 0 28.60 2.00 -5 -5 0 28.20 2.10 5 5 0 29.40 2.00 5 5 0 28.40 2.10 5 5 0 30.00 2.30 -6 -5 0 5.60 0.80 -6 -5 0 5.50 0.60 -6 -5 0 6.50 0.70 6 5 0 6.40 0.60 6 5 0 6.40 0.70 -7 -5 0 1.40 0.30 -7 -5 0 1.20 0.50 7 5 0 1.00 0.20 7 5 0 0.80 0.30 6 -6 0 13.60 1.10 6 -6 0 13.60 1.20 -6 6 0 11.20 1.90 -6 6 0 11.50 1.10 -6 6 0 11.90 1.20 5 -6 0 4.60 0.70 5 -6 0 5.80 0.60 -5 6 0 4.40 0.70 -5 6 0 4.50 1.20 -5 6 0 3.90 0.50 -5 6 0 4.30 0.60 4 -6 0 15.00 1.20 4 -6 0 14.90 1.10 4 -6 0 15.90 1.10 4 -6 0 15.80 1.20 -4 6 0 12.30 1.80 -4 6 0 14.00 1.30 -4 6 0 14.50 1.20 -4 6 0 14.60 1.20 3 -6 0 0.90 0.10 3 -6 0 0.50 0.20 3 -6 0 0.80 0.30 3 -6 0 1.00 0.20 3 -6 0 1.80 0.30 3 -6 0 0.80 0.30 -3 6 0 0.90 0.30 -3 6 0 1.10 0.30 -3 6 0 0.60 0.40 -3 6 0 1.10 0.50 -3 6 0 0.80 0.30 2 -6 0 54.09 3.50 2 -6 0 53.59 3.40 2 -6 0 50.09 3.50 2 -6 0 48.10 3.60 -2 6 0 53.59 3.50 -2 6 0 53.69 3.50 -2 6 0 45.30 4.00 -2 6 0 52.79 3.70 -2 6 0 49.70 3.70 -2 6 0 48.60 3.60 1 -6 0 57.09 3.80 1 -6 0 59.19 3.80 1 -6 0 54.99 3.80 1 -6 0 53.09 3.90 -1 6 0 56.99 3.80 -1 6 0 55.09 4.00 -1 6 0 60.59 3.80 -1 6 0 54.39 3.90 -1 6 0 51.79 4.20 -1 6 0 52.69 3.90 0 -6 0 23.10 1.60 0 -6 0 25.20 1.80 0 -6 0 22.00 1.70 0 6 0 20.90 1.60 0 6 0 19.20 1.70 0 6 0 25.40 1.70 0 6 0 18.00 1.80 0 6 0 25.60 1.80 0 6 0 25.90 1.70 -1 -6 0 4.40 0.40 -1 -6 0 3.60 0.50 -1 -6 0 3.90 0.30 -1 -6 0 3.50 0.50 -1 -6 0 3.40 0.50 1 6 0 2.50 0.40 1 6 0 4.60 0.60 1 6 0 4.60 0.60 1 6 0 4.10 0.50 -2 -6 0 5.10 0.70 -2 -6 0 6.10 0.60 -2 -6 0 5.80 0.60 -2 -6 0 6.20 0.70 2 6 0 6.60 0.70 2 6 0 5.90 0.50 2 6 0 5.90 0.70 2 6 0 6.10 0.60 2 6 0 7.50 0.70 -3 -6 0 11.80 1.20 -3 -6 0 14.10 1.10 -3 -6 0 13.00 1.10 -3 -6 0 12.20 1.20 -3 -6 0 13.50 1.20 3 6 0 14.90 1.20 3 6 0 14.80 1.00 3 6 0 13.40 1.00 3 6 0 13.80 1.00 3 6 0 13.60 1.10 -4 -6 0 0.30 0.20 -4 -6 0 0.20 0.20 -4 -6 0 0.40 0.20 4 6 0 0.00 0.10 4 6 0 0.30 0.20 4 6 0 0.50 0.10 4 6 0 0.20 0.30 -5 -6 0 0.00 0.30 -5 -6 0 -0.20 0.20 -5 -6 0 0.10 0.20 -5 -6 0 -0.20 0.20 5 6 0 0.10 0.30 5 6 0 0.00 0.20 5 6 0 0.30 0.20 -6 -6 0 17.10 1.30 -6 -6 0 15.30 1.50 -6 -6 0 15.30 1.20 6 6 0 14.50 1.30 6 6 0 15.00 1.20 5 -7 0 1.60 0.40 5 -7 0 1.80 0.50 -5 7 0 1.30 0.40 -5 7 0 1.50 0.40 -5 7 0 0.80 0.70 -5 7 0 1.60 0.40 4 -7 0 3.20 0.50 4 -7 0 2.70 0.50 4 -7 0 2.90 0.40 -4 7 0 3.00 0.50 -4 7 0 2.60 0.90 -4 7 0 3.10 0.60 -4 7 0 2.90 0.50 3 -7 0 5.70 0.60 3 -7 0 5.00 0.40 3 -7 0 5.20 0.60 3 -7 0 4.60 0.50 -3 7 0 4.10 0.60 -3 7 0 4.20 0.70 -3 7 0 3.50 1.00 -3 7 0 4.90 0.60 2 -7 0 9.10 0.80 2 -7 0 8.50 0.90 2 -7 0 11.00 0.90 -2 7 0 10.20 0.80 -2 7 0 9.30 1.30 -2 7 0 9.00 1.00 -2 7 0 8.90 0.90 -2 7 0 11.10 0.90 1 -7 0 4.60 0.70 1 -7 0 5.50 0.60 1 -7 0 4.70 0.60 1 -7 0 5.70 0.50 -1 7 0 4.80 0.70 -1 7 0 5.70 0.70 -1 7 0 5.50 0.70 -1 7 0 5.50 0.60 -1 7 0 4.60 0.90 -1 7 0 6.00 0.50 0 -7 0 2.30 0.60 0 -7 0 1.80 0.30 -1 -7 0 39.00 3.20 -1 -7 0 46.20 3.00 -1 -7 0 40.00 3.10 -1 -7 0 43.80 3.20 -1 -7 0 44.40 3.10 1 7 0 44.80 3.10 1 7 0 50.39 3.30 1 7 0 45.10 3.20 1 7 0 42.90 3.20 -2 -7 0 0.50 0.30 -2 -7 0 0.10 0.20 -2 -7 0 0.10 0.20 2 7 0 0.00 0.20 2 7 0 0.60 0.30 2 7 0 0.30 0.20 2 7 0 0.40 0.30 2 7 0 0.00 0.20 -3 -7 0 1.00 0.30 -3 -7 0 1.60 0.30 -3 -7 0 1.10 0.40 3 7 0 1.40 0.40 3 7 0 1.40 0.20 3 7 0 0.90 0.20 3 7 0 1.10 0.20 -4 -7 0 1.50 0.40 -4 -7 0 1.30 0.30 -4 -7 0 1.60 0.30 4 7 0 1.50 0.50 4 7 0 1.70 0.20 4 7 0 1.60 0.30 4 7 0 1.50 0.30 -5 -7 0 26.90 2.00 -5 -7 0 26.00 2.00 -5 -7 0 27.40 2.10 -5 -7 0 24.50 2.20 5 7 0 26.20 2.10 5 7 0 28.70 2.20 5 7 0 27.00 1.90 -6 -7 0 0.10 0.30 -6 -7 0 0.30 0.20 -6 -7 0 0.10 0.20 6 7 0 0.00 0.20 5 -8 0 0.90 0.40 5 -8 0 0.90 0.40 -5 8 0 0.00 0.60 -5 8 0 0.70 0.30 -5 8 0 0.90 0.30 -5 8 0 0.90 0.40 4 -8 0 4.40 0.60 4 -8 0 5.30 0.50 4 -8 0 5.30 0.70 -4 8 0 5.90 0.70 -4 8 0 4.20 1.20 -4 8 0 4.20 0.70 -4 8 0 4.90 0.70 3 -8 0 1.70 0.30 3 -8 0 3.00 0.50 3 -8 0 2.60 0.50 -3 8 0 2.10 0.50 -3 8 0 1.70 0.50 -3 8 0 1.60 0.40 -3 8 0 1.80 0.70 2 -8 0 6.60 0.70 2 -8 0 7.70 0.70 -2 8 0 6.90 1.20 -2 8 0 7.70 0.90 -2 8 0 8.70 0.80 -2 8 0 7.00 0.80 1 -8 0 6.60 0.60 1 -8 0 4.70 0.80 1 -8 0 6.90 0.70 -1 8 0 6.00 1.00 -1 8 0 6.90 0.70 -1 8 0 7.60 0.90 -1 8 0 6.50 0.70 0 -8 0 21.30 1.80 0 -8 0 20.70 1.70 0 -8 0 22.10 1.60 0 -8 0 22.30 1.60 0 8 0 22.60 1.70 0 8 0 20.70 1.80 0 8 0 23.20 1.70 0 8 0 21.40 2.00 0 8 0 22.30 1.70 -1 -8 0 4.70 0.60 -1 -8 0 5.60 0.80 -1 -8 0 5.40 0.60 1 8 0 5.90 0.80 1 8 0 5.00 0.60 1 8 0 4.80 1.00 1 8 0 6.10 0.70 -2 -8 0 18.50 1.70 -2 -8 0 18.60 1.60 -2 -8 0 19.90 1.60 2 8 0 21.70 1.50 2 8 0 24.00 1.70 2 8 0 18.40 1.60 2 8 0 20.30 1.70 -3 -8 0 2.30 0.40 -3 -8 0 1.60 0.50 -3 -8 0 2.60 0.40 3 8 0 2.30 0.50 3 8 0 2.40 0.30 3 8 0 2.10 0.30 3 8 0 2.00 0.30 -4 -8 0 12.00 1.30 -4 -8 0 12.40 1.10 -4 -8 0 13.20 1.10 4 8 0 12.50 1.30 4 8 0 13.50 1.00 4 8 0 13.70 1.00 -5 -8 0 0.40 0.40 -5 -8 0 0.70 0.30 -5 -8 0 0.80 0.30 -5 -8 0 0.30 0.30 5 8 0 0.60 0.20 3 -9 0 3.10 0.50 3 -9 0 4.90 0.60 3 -9 0 3.90 0.60 -3 9 0 4.10 0.60 -3 9 0 4.00 0.70 -3 9 0 3.70 0.60 -3 9 0 4.10 1.10 2 -9 0 8.40 0.80 2 -9 0 10.00 0.90 2 -9 0 7.90 0.90 -2 9 0 9.70 0.90 -2 9 0 9.70 1.10 -2 9 0 8.80 1.40 -2 9 0 10.10 1.00 1 -9 0 9.50 0.90 -1 9 0 8.80 1.10 -1 9 0 10.70 1.00 -1 9 0 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9.30 -3 -4 5 144.49 9.20 -3 -4 5 136.29 9.20 -3 -4 5 140.39 9.20 2 4 -5 0.50 0.20 2 4 -5 0.50 0.10 2 4 -5 0.60 0.10 2 4 -5 0.70 0.10 2 4 -5 0.60 0.20 -2 -4 5 0.40 0.20 -2 -4 5 0.30 0.20 -2 -4 5 0.30 0.10 -2 -4 5 1.10 0.20 -2 -4 5 0.70 0.20 1 4 -5 38.20 2.60 1 4 -5 39.40 2.50 1 4 -5 40.30 2.60 1 4 -5 33.50 2.70 1 4 -5 38.50 2.60 -1 -4 5 38.00 2.60 -1 -4 5 35.80 2.60 -1 -4 5 35.10 2.60 -1 -4 5 38.40 2.60 0 4 -5 18.20 1.30 0 4 -5 15.00 1.30 0 4 -5 20.60 1.50 0 4 -5 17.90 1.30 0 4 -5 17.20 1.20 0 -4 5 18.60 1.30 0 -4 5 18.90 1.30 0 -4 5 14.30 1.30 0 -4 5 17.90 1.30 0 -4 5 15.80 1.20 -1 4 -5 5.90 0.80 -1 4 -5 6.80 0.50 -1 4 -5 6.90 0.60 -1 4 -5 6.40 0.60 -1 4 -5 6.70 0.60 1 -4 5 7.50 0.60 1 -4 5 6.40 0.50 1 -4 5 6.90 0.50 1 -4 5 6.60 0.50 1 -4 5 5.50 0.60 1 -4 5 6.70 0.60 -2 4 -5 69.49 4.90 -2 4 -5 67.09 4.80 -2 4 -5 72.69 4.90 -2 4 -5 69.09 5.30 -2 4 -5 75.49 4.80 -2 4 -5 64.89 4.90 2 -4 5 74.59 4.80 2 -4 5 73.49 4.90 2 -4 5 63.69 4.80 2 -4 5 81.89 4.80 2 -4 5 72.69 4.80 -3 4 -5 9.60 1.30 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