data_jw2050 _audit_creation_date 2018-05-04 _audit_creation_method ; Olex2 1.2 (compiled 2018.04.26 svn.r3504 for OlexSys, GUI svn.r5492) ; _shelx_SHELXL_version_number '2018/3' _audit_contact_author_address ? _audit_contact_author_email ? _audit_contact_author_name '' _audit_contact_author_phone ? _publ_contact_author_id_orcid ? _publ_section_references ; Dolomanov, O.V., Bourhis, L.J., Gildea, R.J, Howard, J.A.K. & Puschmann, H. (2009), J. Appl. Cryst. 42, 339-341. Sheldrick, G.M. (2008). Acta Cryst. A64, 112-122. Sheldrick, G.M. (2015). Acta Cryst. A71, 3-8. ; _chemical_name_common ? _chemical_name_systematic ? _chemical_formula_moiety 'C20 H12 O6, 3.5(C4 H8 O2)' _chemical_formula_sum 'C34 H40 O13' _chemical_formula_weight 656.66 _chemical_melting_point ? loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'C' 'C' 0.0139 0.0070 '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' 'O' 'O' 0.0390 0.0250 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _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. ; _space_group_crystal_system 'monoclinic' _space_group_IT_number 15 _space_group_name_H-M_alt 'I 1 2/a 1' _space_group_name_Hall '-I 2ya' loop_ _space_group_symop_operation_xyz 'x, y, z' '-x+1/2, y, -z' 'x+1/2, y+1/2, z+1/2' '-x+1, y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, -y, z' '-x+1/2, -y+1/2, -z+1/2' 'x, -y+1/2, z+1/2' _cell_length_a 24.0009(11) _cell_length_b 8.5212(4) _cell_length_c 31.560(2) _cell_angle_alpha 90 _cell_angle_beta 93.151(2) _cell_angle_gamma 90 _cell_volume 6444.8(6) _cell_formula_units_Z 8 _cell_measurement_reflns_used 9881 _cell_measurement_temperature 150 _cell_measurement_theta_max 51.719 _cell_measurement_theta_min 2.441 _shelx_estimated_absorpt_T_max 0.983 _shelx_estimated_absorpt_T_min 0.911 _exptl_absorpt_coefficient_mu 0.560 _exptl_absorpt_correction_T_max 0.7503 _exptl_absorpt_correction_T_min 0.6135 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details 'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1330 before and 0.0798 after correction. The Ratio of minimum to maximum transmission is 0.8177. The \l/2 correction factor is Not present.' _exptl_absorpt_special_details ? _exptl_crystal_colour 'clear light red' _exptl_crystal_colour_lustre clear _exptl_crystal_colour_modifier light _exptl_crystal_colour_primary red _exptl_crystal_density_diffrn 1.354 _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_description Platelet _exptl_crystal_F_000 2784 _exptl_crystal_recrystallization_method 'crystallized from Dioxane/hexane' _exptl_crystal_size_max 0.17 _exptl_crystal_size_mid 0.06 _exptl_crystal_size_min 0.03 _exptl_special_details ; X-ray crystallographic data for I were collected from a single crystal sample, which was mounted on a loop fiber. Data were collected using a Bruker Venture diffractometer equipped with a Photon 100 CMOS Detector, a Helios MX optics and a Kappa goniometer. The crystal-to-detector distance was 4.0 cm, and the data collection was carried out in 1024 x 1024 pixel mode. ; _exptl_transmission_factor_max ? _exptl_transmission_factor_min ? _diffrn_reflns_av_R_equivalents 0.0764 _diffrn_reflns_av_unetI/netI 0.0482 _diffrn_reflns_Laue_measured_fraction_full 0.996 _diffrn_reflns_Laue_measured_fraction_max 0.996 _diffrn_reflns_limit_h_max 28 _diffrn_reflns_limit_h_min -28 _diffrn_reflns_limit_k_max 10 _diffrn_reflns_limit_k_min -10 _diffrn_reflns_limit_l_max 36 _diffrn_reflns_limit_l_min -37 _diffrn_reflns_number 40908 _diffrn_reflns_point_group_measured_fraction_full 0.996 _diffrn_reflns_point_group_measured_fraction_max 0.996 _diffrn_reflns_theta_full 52.320 _diffrn_reflns_theta_max 52.320 _diffrn_reflns_theta_min 2.440 _diffrn_ambient_temperature 150 _diffrn_detector 'CMOS Area detector' _diffrn_detector_area_resol_mean 10.24 _diffrn_detector_type 'Bruker Photon 100 CMOS Detector' _diffrn_measured_fraction_theta_full 0.996 _diffrn_measured_fraction_theta_max 0.996 _diffrn_measurement_device 'k-geometry diffractometer' _diffrn_measurement_device_type 'Bruker Venture Metaljet' _diffrn_measurement_method '\w and \f scans' _diffrn_radiation_collimation 'Focusing mirrors' _diffrn_radiation_monochromator 'Helios MX Mirror Optics' _diffrn_radiation_probe X-ray _diffrn_radiation_type GaK\a _diffrn_radiation_wavelength 1.34139 _diffrn_source 'Metal Jet' _diffrn_source_target Ga _diffrn_source_type 'Gallium Liquid Metal Jet Source' _reflns_Friedel_coverage 0.000 _reflns_Friedel_fraction_full . _reflns_Friedel_fraction_max . _reflns_number_gt 3431 _reflns_number_total 5526 _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. ; _reflns_threshold_expression 'I > 2\s(I)' _computing_cell_refinement 'SAINT (2013) V8.38A; Integration Software for Single Crystal Data. Bruker AXS Inc., Madison, WI 53719-1173.' _computing_data_collection ; APEX 2 (2013) Bruker AXS Inc., Madison, WI 53719-1173. ; _computing_data_reduction 'SAINT (2013) V8.38A; Integration Software for Single Crystal Data. Bruker AXS Inc., Madison, WI 53719-1173.' _computing_molecular_graphics 'Olex2 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 (Dolomanov et al., 2009)' _computing_structure_refinement 'XL (Sheldrick, 2008)' _computing_structure_solution 'XT (Sheldrick, 2015)' _refine_diff_density_max 0.531 _refine_diff_density_min -0.360 _refine_diff_density_rms 0.065 _refine_ls_extinction_coef 0.00031(10) _refine_ls_extinction_expression 'Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^' _refine_ls_extinction_method 'SHELXL-2018/3 (Sheldrick 2018)' _refine_ls_goodness_of_fit_ref 1.031 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 476 _refine_ls_number_reflns 5526 _refine_ls_number_restraints 250 _refine_ls_R_factor_all 0.1295 _refine_ls_R_factor_gt 0.0811 _refine_ls_restrained_S_all 1.016 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.1414P)^2^+9.8338P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.2113 _refine_ls_wR_factor_ref 0.2532 _refine_special_details ? _olex2_refinement_description ; 1. Fixed Uiso At 1.2 times of: All C(H) groups, All C(H,H) groups At 1.5 times of: All O(H) groups 2. Restrained distances C21A-C22A = C21B-C22B = C23A-C24A = C23B-C24B 1.5 with sigma of 0.001 O13A-C33A \\sim O13A-C34A \\sim O13B-C33B \\sim O13B-C34B with sigma of 0.02 O7A-C21A \\sim O7B-C21B \\sim O7A-C24A \\sim O7B-C24B with sigma of 0.02 O8A-C22A \\sim O8B-C22B \\sim O8A-C23A \\sim O8B-C23B with sigma of 0.02 C21A-C22A \\sim C21B-C22B \\sim C23A-C24A \\sim C23B-C24B with sigma of 0.02 3. Uiso/Uaniso restraints and constraints O13A \\sim O13B \\sim C33A \\sim C33B \\sim C34A \\sim C34B: within 2A with sigma of 0.02 and sigma for terminal atoms of 0.01 O7A \\sim C21A \\sim C22A \\sim C23A \\sim C24A \\sim O8A \\sim O7B \\sim C21B \\sim C22B \\sim C23B \\sim C24B \\sim O8B: within 2A with sigma of 0.02 and sigma for terminal atoms of 0.01 Uanis(C21A) = Uanis(C21B) Uanis(C22A) = Uanis(C22B) Uanis(C23A) = Uanis(C23B) Uanis(C24A) = Uanis(C24B) Uanis(O7A) = Uanis(O7B) Uanis(O8A) = Uanis(O8B) 4. Others Sof(O13B)=Sof(C33B)=Sof(H33C)=Sof(H33D)=Sof(C34B)=Sof(H34C)=Sof(H34D)=1-FVAR(1) Sof(C34A)=Sof(H34A)=Sof(H34B)=Sof(C33A)=Sof(H33A)=Sof(H33B)=Sof(O13A)=FVAR(1) Sof(O7B)=Sof(C23B)=Sof(H23C)=Sof(H23D)=Sof(C24B)=Sof(H24C)=Sof(H24D)= Sof(C21B)=Sof(H21C)=Sof(H21D)=Sof(C22B)=Sof(H22C)=Sof(H22D)=Sof(O8B)=1-FVAR(2) Sof(O7A)=Sof(C21A)=Sof(H21A)=Sof(H21B)=Sof(C22A)=Sof(H22A)=Sof(H22B)= Sof(C23A)=Sof(H23A)=Sof(H23B)=Sof(C24A)=Sof(H24A)=Sof(H24B)=Sof(O8A)=FVAR(2) 5.a Ternary CH refined with riding coordinates: C19(H19), C20(H20) 5.b Secondary CH2 refined with riding coordinates: C29(H29A,H29B), C30(H30A,H30B), C31(H31A,H31B), C32(H32A,H32B), C25(H25A, H25B), C26(H26A,H26B), C27(H27A,H27B), C28(H28A,H28B), C34A(H34A,H34B), C33A(H33A,H33B), C33B(H33C,H33D), C34B(H34C,H34D), C21A(H21A,H21B), C22A(H22A, H22B), C23A(H23A,H23B), C24A(H24A,H24B), C23B(H23C,H23D), C24B(H24C,H24D), C21B(H21C,H21D), C22B(H22C,H22D) 5.c Aromatic/amide H refined with riding coordinates: C2(H2), C5(H5A), C9(H9), C12(H12), C15(H15), C18(H18) 5.d Idealised tetrahedral OH refined as rotating group: O3(H3), O4(H4), O5(H5), O6(H6) ; _atom_sites_solution_hydrogens geom _atom_sites_solution_primary dual _atom_sites_solution_secondary ? 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 O1 O 0.25247(11) 0.9941(3) 0.44095(9) 0.0584(8) Uani 1 1 d . . . . . O2 O 0.17567(11) 0.7735(3) 0.42061(10) 0.0620(8) Uani 1 1 d . . . . . O3 O 0.43096(11) 0.3175(3) 0.61204(9) 0.0546(7) Uani 1 1 d . . . . . H3 H 0.425169 0.229593 0.622996 0.082 Uiso 1 1 calc GR . . . . O4 O 0.35723(11) 0.0943(3) 0.59009(9) 0.0564(7) Uani 1 1 d . . . . . H4 H 0.333257 0.029523 0.580669 0.085 Uiso 1 1 calc GR . . . . O5 O 0.49917(11) 0.4605(4) 0.34594(9) 0.0595(8) Uani 1 1 d . . . . . H5 H 0.522667 0.522572 0.357372 0.089 Uiso 1 1 calc GR . . . . O6 O 0.42198(12) 0.2362(4) 0.32409(10) 0.0683(9) Uani 1 1 d . . . . . H6 H 0.454578 0.244740 0.315952 0.102 Uiso 1 1 calc GR . . . . C1 C 0.33349(14) 0.6520(4) 0.46195(12) 0.0434(9) Uani 1 1 d . . . . . C2 C 0.32141(15) 0.8065(4) 0.46064(13) 0.0478(10) Uani 1 1 d . . . . . H2 H 0.348698 0.881780 0.469787 0.057 Uiso 1 1 calc R . . . . C3 C 0.26639(17) 0.8563(5) 0.44513(12) 0.0502(10) Uani 1 1 d . . . . . C4 C 0.22241(15) 0.7290(5) 0.43292(12) 0.0487(10) Uani 1 1 d . . . . . C5 C 0.23907(15) 0.5662(5) 0.43666(12) 0.0467(9) Uani 1 1 d . . . . . H5A H 0.212815 0.485116 0.430199 0.056 Uiso 1 1 calc R . . . . C6 C 0.29222(15) 0.5303(4) 0.44940(12) 0.0444(9) Uani 1 1 d . . . . . C7 C 0.38211(14) 0.4611(4) 0.50775(12) 0.0430(9) Uani 1 1 d . . . . . C8 C 0.34362(14) 0.3450(4) 0.49561(13) 0.0455(9) Uani 1 1 d . . . . . C9 C 0.33353(15) 0.2210(4) 0.52246(13) 0.0460(9) Uani 1 1 d . . . . . H9 H 0.307051 0.142490 0.514114 0.055 Uiso 1 1 calc R . . . . C10 C 0.36223(15) 0.2125(4) 0.56136(13) 0.0470(10) Uani 1 1 d . . . . . C11 C 0.40121(15) 0.3285(4) 0.57372(12) 0.0455(9) Uani 1 1 d . . . . . C12 C 0.41024(14) 0.4544(4) 0.54715(12) 0.0455(9) Uani 1 1 d . . . . . H12 H 0.435526 0.535397 0.555919 0.055 Uiso 1 1 calc R . . . . C13 C 0.40422(14) 0.4947(4) 0.43363(12) 0.0426(9) Uani 1 1 d . . . . . C14 C 0.36535(15) 0.3797(4) 0.42146(12) 0.0449(9) Uani 1 1 d . . . . . C15 C 0.37196(15) 0.2948(5) 0.38475(13) 0.0497(10) Uani 1 1 d . . . . . H15 H 0.345390 0.216806 0.376149 0.060 Uiso 1 1 calc R . . . . C16 C 0.41703(16) 0.3230(5) 0.36063(13) 0.0522(10) Uani 1 1 d . . . . . C17 C 0.45553(15) 0.4394(5) 0.37249(13) 0.0500(10) Uani 1 1 d . . . . . C18 C 0.44921(15) 0.5272(4) 0.40895(12) 0.0458(9) Uani 1 1 d . . . . . H18 H 0.475048 0.607741 0.416933 0.055 Uiso 1 1 calc R . . . . C19 C 0.39009(14) 0.5836(4) 0.47371(12) 0.0432(9) Uani 1 1 d . . . . . H19 H 0.418511 0.664878 0.482435 0.052 Uiso 1 1 calc R . . . . C20 C 0.31750(15) 0.3684(4) 0.45113(12) 0.0453(9) Uani 1 1 d . . . . . H20 H 0.290035 0.284356 0.442595 0.054 Uiso 1 1 calc R . . . . O11 O 0.43573(12) 0.0680(3) 0.66775(9) 0.0638(8) Uani 1 1 d . . . . . O12 O 0.48440(13) -0.1651(3) 0.72141(9) 0.0632(8) Uani 1 1 d . . . . . C29 C 0.42693(19) -0.0954(5) 0.65988(15) 0.0638(12) Uani 1 1 d . . . . . H29A H 0.455219 -0.134099 0.640726 0.077 Uiso 1 1 calc R . . . . H29B H 0.389641 -0.110901 0.645478 0.077 Uiso 1 1 calc R . . . . C30 C 0.43072(18) -0.1884(5) 0.70014(15) 0.0636(12) Uani 1 1 d . . . . . H30A H 0.401096 -0.154569 0.718767 0.076 Uiso 1 1 calc R . . . . H30B H 0.425180 -0.301216 0.693676 0.076 Uiso 1 1 calc R . . . . C31 C 0.4931(2) -0.0021(5) 0.73020(15) 0.0657(12) Uani 1 1 d . . . . . H31A H 0.530466 0.013260 0.744444 0.079 Uiso 1 1 calc R . . . . H31B H 0.464855 0.035274 0.749591 0.079 Uiso 1 1 calc R . . . . C32 C 0.48866(19) 0.0918(5) 0.68974(15) 0.0653(12) Uani 1 1 d . . . . . H32A H 0.493553 0.204655 0.696425 0.078 Uiso 1 1 calc R . . . . H32B H 0.518740 0.059945 0.671295 0.078 Uiso 1 1 calc R . . . . O9 O 0.38338(13) 0.4166(4) 0.69129(10) 0.0715(9) Uani 1 1 d . . . . . O10 O 0.27444(13) 0.3019(4) 0.70160(11) 0.0804(10) Uani 1 1 d . . . . . C25 C 0.3687(2) 0.3436(6) 0.72968(16) 0.0740(13) Uani 1 1 d . . . . . H25A H 0.357377 0.424915 0.749883 0.089 Uiso 1 1 calc R . . . . H25B H 0.401669 0.288159 0.742669 0.089 Uiso 1 1 calc R . . . . C26 C 0.3220(2) 0.2293(6) 0.72180(18) 0.0786(14) Uani 1 1 d . . . . . H26A H 0.334647 0.142750 0.703729 0.094 Uiso 1 1 calc R . . . . H26B H 0.311774 0.183697 0.749150 0.094 Uiso 1 1 calc R . . . . C27 C 0.2896(2) 0.3726(7) 0.66308(16) 0.0771(14) Uani 1 1 d . . . . . H27A H 0.256644 0.425789 0.649358 0.093 Uiso 1 1 calc R . . . . H27B H 0.301866 0.290325 0.643505 0.093 Uiso 1 1 calc R . . . . C28 C 0.3355(2) 0.4892(6) 0.67096(16) 0.0730(13) Uani 1 1 d . . . . . H28A H 0.345645 0.535344 0.643647 0.088 Uiso 1 1 calc R . . . . H28B H 0.322450 0.575048 0.689078 0.088 Uiso 1 1 calc R . . . . C34A C 0.4727(4) 0.9422(11) 0.5345(3) 0.080(3) Uani 0.600(8) 1 d D U P A 1 H34A H 0.457497 0.852736 0.550181 0.096 Uiso 0.600(8) 1 calc R . P A 1 H34B H 0.467699 1.038961 0.551205 0.096 Uiso 0.600(8) 1 calc R . P A 1 C33A C 0.4665(5) 1.0837(14) 0.4720(4) 0.086(3) Uani 0.600(8) 1 d D U P A 1 H33A H 0.461760 1.181940 0.488193 0.104 Uiso 0.600(8) 1 calc R . P A 1 H33B H 0.445901 1.094983 0.444133 0.104 Uiso 0.600(8) 1 calc R . P A 1 O13A O 0.4443(2) 0.9562(7) 0.4944(2) 0.081(2) Uani 0.600(8) 1 d D U P A 1 O13B O 0.5153(4) 1.1370(9) 0.5212(3) 0.084(3) Uani 0.400(8) 1 d D U P A 2 C33B C 0.5058(7) 0.9995(17) 0.5447(5) 0.082(4) Uani 0.400(8) 1 d D U P A 2 H33C H 0.466765 0.997461 0.553292 0.099 Uiso 0.400(8) 1 calc R . P A 2 H33D H 0.530925 0.997104 0.570615 0.099 Uiso 0.400(8) 1 calc R . P A 2 C34B C 0.4832(7) 1.141(2) 0.4829(5) 0.081(4) Uani 0.400(8) 1 d D U P A 2 H34C H 0.491788 1.238361 0.467372 0.097 Uiso 0.400(8) 1 calc R . P A 2 H34D H 0.443155 1.143720 0.488941 0.097 Uiso 0.400(8) 1 calc R . P A 2 O7A O 0.3206(3) 0.8165(8) 0.2773(2) 0.0943(19) Uani 0.774(6) 1 d D U P B 1 C21A C 0.3347(4) 0.6820(10) 0.30185(19) 0.106(2) Uani 0.774(6) 1 d D U P B 1 H21A H 0.372822 0.647972 0.295474 0.127 Uiso 0.774(6) 1 calc R . P B 1 H21B H 0.308735 0.595967 0.293349 0.127 Uiso 0.774(6) 1 calc R . P B 1 C22A C 0.3328(3) 0.7076(10) 0.34874(19) 0.095(2) Uani 0.774(6) 1 d D U P B 1 H22A H 0.339829 0.606953 0.363753 0.114 Uiso 0.774(6) 1 calc R . P B 1 H22B H 0.362570 0.782137 0.358264 0.114 Uiso 0.774(6) 1 calc R . P B 1 C23A C 0.2689(4) 0.9169(9) 0.33607(18) 0.084(2) Uani 0.774(6) 1 d D U P B 1 H23A H 0.298383 0.994995 0.343599 0.101 Uiso 0.774(6) 1 calc R . P B 1 H23B H 0.232447 0.960957 0.343238 0.101 Uiso 0.774(6) 1 calc R . P B 1 C24A C 0.2686(3) 0.8778(10) 0.28973(18) 0.093(2) Uani 0.774(6) 1 d D U P B 1 H24A H 0.238851 0.799690 0.282977 0.112 Uiso 0.774(6) 1 calc R . P B 1 H24B H 0.259502 0.973640 0.273026 0.112 Uiso 0.774(6) 1 calc R . P B 1 O8A O 0.2801(2) 0.7682(6) 0.35928(18) 0.0758(14) Uani 0.774(6) 1 d D U P B 1 O7B O 0.3383(10) 0.853(3) 0.2907(7) 0.0943(19) Uani 0.226(6) 1 d D U P B 2 C23B C 0.2562(9) 0.857(3) 0.3250(8) 0.084(2) Uani 0.226(6) 1 d D U P B 2 H23C H 0.222961 0.913548 0.334101 0.101 Uiso 0.226(6) 1 calc R . P B 2 H23D H 0.245867 0.766763 0.306367 0.101 Uiso 0.226(6) 1 calc R . P B 2 C24B C 0.3012(9) 0.960(3) 0.3091(9) 0.093(2) Uani 0.226(6) 1 d D U P B 2 H24C H 0.285682 1.035315 0.287728 0.112 Uiso 0.226(6) 1 calc R . P B 2 H24D H 0.320345 1.018840 0.332716 0.112 Uiso 0.226(6) 1 calc R . P B 2 C21B C 0.3603(14) 0.731(3) 0.3172(7) 0.106(2) Uani 0.226(6) 1 d D U P B 2 H21C H 0.398352 0.697337 0.310817 0.127 Uiso 0.226(6) 1 calc R . P B 2 H21D H 0.335000 0.639935 0.319505 0.127 Uiso 0.226(6) 1 calc R . P B 2 C22B C 0.3585(8) 0.845(3) 0.3534(6) 0.095(2) Uani 0.226(6) 1 d D U P B 2 H22C H 0.382649 0.813070 0.378327 0.114 Uiso 0.226(6) 1 calc R . P B 2 H22D H 0.367103 0.953766 0.345008 0.114 Uiso 0.226(6) 1 calc R . P B 2 O8B O 0.2982(7) 0.820(3) 0.3597(7) 0.0758(14) Uani 0.226(6) 1 d D U P B 2 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 O1 0.0502(16) 0.0462(17) 0.079(2) -0.0007(14) 0.0057(14) 0.0074(12) O2 0.0446(16) 0.0584(17) 0.083(2) 0.0053(15) 0.0018(14) 0.0088(13) O3 0.0483(16) 0.0546(17) 0.0601(18) 0.0076(13) -0.0030(13) -0.0098(13) O4 0.0501(17) 0.0534(17) 0.0646(18) 0.0079(14) -0.0063(13) -0.0139(13) O5 0.0450(16) 0.0659(19) 0.0686(19) -0.0125(15) 0.0107(14) -0.0061(13) O6 0.0553(18) 0.079(2) 0.072(2) -0.0230(17) 0.0120(15) -0.0087(16) C1 0.0355(19) 0.047(2) 0.048(2) -0.0012(17) 0.0043(16) 0.0012(16) C2 0.039(2) 0.044(2) 0.060(3) -0.0003(18) 0.0048(18) -0.0005(17) C3 0.056(2) 0.045(2) 0.051(2) 0.0040(19) 0.0077(19) 0.0059(19) C4 0.038(2) 0.056(2) 0.052(2) 0.0024(19) 0.0034(17) 0.0044(18) C5 0.034(2) 0.053(2) 0.053(2) 0.0018(18) 0.0040(17) -0.0011(17) C6 0.040(2) 0.046(2) 0.047(2) 0.0034(17) 0.0045(16) 0.0006(17) C7 0.0339(19) 0.044(2) 0.051(2) 0.0001(17) 0.0026(16) 0.0035(16) C8 0.0323(19) 0.046(2) 0.058(2) -0.0022(19) 0.0013(17) 0.0016(16) C9 0.0337(19) 0.044(2) 0.060(2) 0.0004(19) 0.0038(17) -0.0021(16) C10 0.036(2) 0.044(2) 0.061(3) 0.0084(19) 0.0034(18) 0.0009(16) C11 0.038(2) 0.050(2) 0.048(2) -0.0007(18) 0.0007(17) -0.0009(17) C12 0.0335(19) 0.042(2) 0.062(3) -0.0016(18) 0.0044(17) -0.0023(16) C13 0.0360(19) 0.039(2) 0.052(2) 0.0023(17) -0.0009(16) 0.0036(15) C14 0.036(2) 0.042(2) 0.056(2) -0.0006(18) -0.0019(17) 0.0035(16) C15 0.040(2) 0.051(2) 0.058(3) -0.0058(19) -0.0019(18) -0.0020(17) C16 0.044(2) 0.055(2) 0.058(2) -0.014(2) 0.0018(18) 0.0008(19) C17 0.037(2) 0.056(2) 0.057(2) 0.001(2) 0.0053(18) 0.0010(18) C18 0.037(2) 0.047(2) 0.054(2) -0.0029(18) 0.0017(17) -0.0015(16) C19 0.0329(19) 0.041(2) 0.056(2) -0.0026(17) -0.0003(16) 0.0006(15) C20 0.0365(19) 0.043(2) 0.056(2) 0.0013(18) -0.0005(17) -0.0011(16) O11 0.0653(19) 0.0541(18) 0.070(2) 0.0031(14) -0.0113(15) -0.0002(14) O12 0.070(2) 0.0546(18) 0.0642(19) 0.0017(14) -0.0055(15) 0.0059(14) C29 0.058(3) 0.058(3) 0.073(3) 0.007(2) -0.013(2) -0.004(2) C30 0.054(3) 0.060(3) 0.076(3) 0.002(2) 0.008(2) 0.001(2) C31 0.076(3) 0.056(3) 0.064(3) -0.004(2) -0.008(2) 0.006(2) C32 0.061(3) 0.056(3) 0.078(3) -0.001(2) -0.005(2) -0.004(2) O9 0.0615(19) 0.073(2) 0.080(2) 0.0069(17) 0.0070(16) 0.0025(16) O10 0.063(2) 0.096(3) 0.083(2) 0.0031(19) 0.0123(18) -0.0034(18) C25 0.066(3) 0.086(3) 0.070(3) 0.008(3) -0.002(2) 0.004(3) C26 0.071(3) 0.082(3) 0.084(4) 0.010(3) 0.008(3) 0.006(3) C27 0.069(3) 0.097(4) 0.065(3) 0.003(3) 0.003(2) -0.006(3) C28 0.073(3) 0.072(3) 0.074(3) 0.007(3) 0.001(3) 0.007(3) C34A 0.070(6) 0.067(6) 0.102(7) -0.002(5) 0.008(5) -0.009(5) C33A 0.065(7) 0.070(7) 0.122(7) 0.009(6) -0.014(6) 0.003(6) O13A 0.051(3) 0.076(4) 0.114(5) -0.008(3) -0.006(3) -0.012(3) O13B 0.069(6) 0.056(5) 0.126(7) -0.004(5) 0.002(5) -0.005(4) C33B 0.058(8) 0.074(8) 0.115(9) 0.001(8) 0.004(7) -0.004(7) C34B 0.056(8) 0.058(8) 0.128(10) 0.016(8) 0.003(7) -0.004(6) O7A 0.092(4) 0.111(4) 0.081(4) 0.021(3) 0.013(3) 0.022(3) C21A 0.111(6) 0.111(5) 0.098(5) 0.016(4) 0.027(4) 0.041(4) C22A 0.090(4) 0.106(5) 0.092(4) 0.034(4) 0.028(3) 0.047(4) C23A 0.085(4) 0.085(5) 0.083(4) 0.015(4) 0.009(3) 0.020(4) C24A 0.084(4) 0.106(5) 0.092(4) 0.017(4) 0.010(3) 0.022(4) O8A 0.063(3) 0.086(4) 0.079(2) 0.021(3) 0.013(3) 0.010(2) O7B 0.092(4) 0.111(4) 0.081(4) 0.021(3) 0.013(3) 0.022(3) C23B 0.085(4) 0.085(5) 0.083(4) 0.015(4) 0.009(3) 0.020(4) C24B 0.084(4) 0.106(5) 0.092(4) 0.017(4) 0.010(3) 0.022(4) C21B 0.111(6) 0.111(5) 0.098(5) 0.016(4) 0.027(4) 0.041(4) C22B 0.090(4) 0.106(5) 0.092(4) 0.034(4) 0.028(3) 0.047(4) O8B 0.063(3) 0.086(4) 0.079(2) 0.021(3) 0.013(3) 0.010(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 O1 C3 1.226(4) . ? O2 C4 1.227(4) . ? O3 H3 0.8400 . ? O3 C11 1.373(5) . ? O4 H4 0.8400 . ? O4 C10 1.365(5) . ? O5 H5 0.8400 . ? O5 C17 1.388(5) . ? O6 H6 0.8400 . ? O6 C16 1.381(5) . ? C1 C2 1.348(5) . ? C1 C6 1.473(5) . ? C1 C19 1.506(5) . ? C2 H2 0.9500 . ? C2 C3 1.446(5) . ? C3 C4 1.548(6) . ? C4 C5 1.446(5) . ? C5 H5A 0.9500 . ? C5 C6 1.351(5) . ? C6 C20 1.507(5) . ? C7 C8 1.392(5) . ? C7 C12 1.383(5) . ? C7 C19 1.518(5) . ? C8 C9 1.384(5) . ? C8 C20 1.519(5) . ? C9 H9 0.9500 . ? C9 C10 1.376(6) . ? C10 C11 1.401(5) . ? C11 C12 1.386(5) . ? C12 H12 0.9500 . ? C13 C14 1.393(5) . ? C13 C18 1.393(5) . ? C13 C19 1.528(5) . ? C14 C15 1.382(5) . ? C14 C20 1.524(5) . ? C15 H15 0.9500 . ? C15 C16 1.378(5) . ? C16 C17 1.393(6) . ? C17 C18 1.387(5) . ? C18 H18 0.9500 . ? C19 H19 1.0000 . ? C20 H20 1.0000 . ? O11 C29 1.429(5) . ? O11 C32 1.428(5) . ? O12 C30 1.434(5) . ? O12 C31 1.430(5) . ? C29 H29A 0.9900 . ? C29 H29B 0.9900 . ? C29 C30 1.496(6) . ? C30 H30A 0.9900 . ? C30 H30B 0.9900 . ? C31 H31A 0.9900 . ? C31 H31B 0.9900 . ? C31 C32 1.506(6) . ? C32 H32A 0.9900 . ? C32 H32B 0.9900 . ? O9 C25 1.423(6) . ? O9 C28 1.426(6) . ? O10 C26 1.419(6) . ? O10 C27 1.422(6) . ? C25 H25A 0.9900 . ? C25 H25B 0.9900 . ? C25 C26 1.496(7) . ? C26 H26A 0.9900 . ? C26 H26B 0.9900 . ? C27 H27A 0.9900 . ? C27 H27B 0.9900 . ? C27 C28 1.494(7) . ? C28 H28A 0.9900 . ? C28 H28B 0.9900 . ? C34A H34A 0.9900 . ? C34A H34B 0.9900 . ? C34A C33A 1.501(16) 5_676 ? C34A O13A 1.408(9) . ? C33A H33A 0.9900 . ? C33A H33B 0.9900 . ? C33A O13A 1.416(10) . ? O13B C33B 1.411(12) . ? O13B C34B 1.398(13) . ? C33B H33C 0.9900 . ? C33B H33D 0.9900 . ? C33B C34B 1.51(3) 5_676 ? C34B H34C 0.9900 . ? C34B H34D 0.9900 . ? O7A C21A 1.415(8) . ? O7A C24A 1.428(8) . ? C21A H21A 0.9900 . ? C21A H21B 0.9900 . ? C21A C22A 1.4990(10) . ? C22A H22A 0.9900 . ? C22A H22B 0.9900 . ? C22A O8A 1.423(7) . ? C23A H23A 0.9900 . ? C23A H23B 0.9900 . ? C23A C24A 1.4996(10) . ? C23A O8A 1.481(7) . ? C24A H24A 0.9900 . ? C24A H24B 0.9900 . ? O7B C24B 1.421(16) . ? O7B C21B 1.417(16) . ? C23B H23C 0.9900 . ? C23B H23D 0.9900 . ? C23B C24B 1.5000(11) . ? C23B O8B 1.478(16) . ? C24B H24C 0.9900 . ? C24B H24D 0.9900 . ? C21B H21C 0.9900 . ? C21B H21D 0.9900 . ? C21B C22B 1.4998(11) . ? C22B H22C 0.9900 . ? C22B H22D 0.9900 . ? C22B O8B 1.485(15) . ? 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 C11 O3 H3 109.5 . . ? C10 O4 H4 109.5 . . ? C17 O5 H5 109.5 . . ? C16 O6 H6 109.5 . . ? C2 C1 C6 122.6(3) . . ? C2 C1 C19 125.1(3) . . ? C6 C1 C19 112.2(3) . . ? C1 C2 H2 120.4 . . ? C1 C2 C3 119.2(4) . . ? C3 C2 H2 120.4 . . ? O1 C3 C2 123.7(4) . . ? O1 C3 C4 117.8(4) . . ? C2 C3 C4 118.4(3) . . ? O2 C4 C3 117.5(4) . . ? O2 C4 C5 124.5(4) . . ? C5 C4 C3 118.0(3) . . ? C4 C5 H5A 120.2 . . ? C6 C5 C4 119.6(4) . . ? C6 C5 H5A 120.2 . . ? C1 C6 C20 111.8(3) . . ? C5 C6 C1 122.0(3) . . ? C5 C6 C20 126.2(4) . . ? C8 C7 C19 113.7(3) . . ? C12 C7 C8 120.1(3) . . ? C12 C7 C19 126.2(3) . . ? C7 C8 C20 113.3(3) . . ? C9 C8 C7 120.6(4) . . ? C9 C8 C20 126.1(3) . . ? C8 C9 H9 120.3 . . ? C10 C9 C8 119.4(3) . . ? C10 C9 H9 120.3 . . ? O4 C10 C9 125.0(3) . . ? O4 C10 C11 114.7(3) . . ? C9 C10 C11 120.3(3) . . ? O3 C11 C10 120.3(3) . . ? O3 C11 C12 119.6(3) . . ? C12 C11 C10 120.1(3) . . ? C7 C12 C11 119.4(3) . . ? C7 C12 H12 120.3 . . ? C11 C12 H12 120.3 . . ? C14 C13 C18 120.9(3) . . ? C14 C13 C19 113.7(3) . . ? C18 C13 C19 125.3(3) . . ? C13 C14 C20 113.0(3) . . ? C15 C14 C13 119.6(3) . . ? C15 C14 C20 127.4(3) . . ? C14 C15 H15 120.0 . . ? C16 C15 C14 120.1(4) . . ? C16 C15 H15 120.0 . . ? O6 C16 C17 121.3(3) . . ? C15 C16 O6 118.3(3) . . ? C15 C16 C17 120.4(4) . . ? O5 C17 C16 116.2(3) . . ? C18 C17 O5 123.5(3) . . ? C18 C17 C16 120.4(3) . . ? C13 C18 H18 120.7 . . ? C17 C18 C13 118.7(3) . . ? C17 C18 H18 120.7 . . ? C1 C19 C7 107.1(3) . . ? C1 C19 C13 103.1(3) . . ? C1 C19 H19 113.1 . . ? C7 C19 C13 106.7(3) . . ? C7 C19 H19 113.1 . . ? C13 C19 H19 113.1 . . ? C6 C20 C8 107.4(3) . . ? C6 C20 C14 103.6(3) . . ? C6 C20 H20 112.8 . . ? C8 C20 C14 106.8(3) . . ? C8 C20 H20 112.8 . . ? C14 C20 H20 112.8 . . ? C32 O11 C29 110.0(3) . . ? C31 O12 C30 110.0(3) . . ? O11 C29 H29A 109.3 . . ? O11 C29 H29B 109.3 . . ? O11 C29 C30 111.5(4) . . ? H29A C29 H29B 108.0 . . ? C30 C29 H29A 109.3 . . ? C30 C29 H29B 109.3 . . ? O12 C30 C29 109.6(3) . . ? O12 C30 H30A 109.7 . . ? O12 C30 H30B 109.7 . . ? C29 C30 H30A 109.7 . . ? C29 C30 H30B 109.7 . . ? H30A C30 H30B 108.2 . . ? O12 C31 H31A 109.6 . . ? O12 C31 H31B 109.6 . . ? O12 C31 C32 110.4(4) . . ? H31A C31 H31B 108.1 . . ? C32 C31 H31A 109.6 . . ? C32 C31 H31B 109.6 . . ? O11 C32 C31 110.9(4) . . ? O11 C32 H32A 109.5 . . ? O11 C32 H32B 109.5 . . ? C31 C32 H32A 109.5 . . ? C31 C32 H32B 109.5 . . ? H32A C32 H32B 108.1 . . ? C25 O9 C28 110.0(4) . . ? C26 O10 C27 109.4(4) . . ? O9 C25 H25A 109.4 . . ? O9 C25 H25B 109.4 . . ? O9 C25 C26 111.1(4) . . ? H25A C25 H25B 108.0 . . ? C26 C25 H25A 109.4 . . ? C26 C25 H25B 109.4 . . ? O10 C26 C25 111.6(4) . . ? O10 C26 H26A 109.3 . . ? O10 C26 H26B 109.3 . . ? C25 C26 H26A 109.3 . . ? C25 C26 H26B 109.3 . . ? H26A C26 H26B 108.0 . . ? O10 C27 H27A 109.4 . . ? O10 C27 H27B 109.4 . . ? O10 C27 C28 111.1(4) . . ? H27A C27 H27B 108.0 . . ? C28 C27 H27A 109.4 . . ? C28 C27 H27B 109.4 . . ? O9 C28 C27 110.8(4) . . ? O9 C28 H28A 109.5 . . ? O9 C28 H28B 109.5 . . ? C27 C28 H28A 109.5 . . ? C27 C28 H28B 109.5 . . ? H28A C28 H28B 108.1 . . ? H34A C34A H34B 108.4 . . ? C33A C34A H34A 110.0 5_676 . ? C33A C34A H34B 110.0 5_676 . ? O13A C34A H34A 110.0 . . ? O13A C34A H34B 110.0 . . ? O13A C34A C33A 108.4(8) . 5_676 ? C34A C33A H33A 109.6 5_676 . ? C34A C33A H33B 109.6 5_676 . ? H33A C33A H33B 108.1 . . ? O13A C33A C34A 110.5(9) . 5_676 ? O13A C33A H33A 109.6 . . ? O13A C33A H33B 109.6 . . ? C34A O13A C33A 109.7(8) . . ? C34B O13B C33B 112.1(12) . . ? O13B C33B H33C 110.0 . . ? O13B C33B H33D 110.0 . . ? O13B C33B C34B 108.5(12) . 5_676 ? H33C C33B H33D 108.4 . . ? C34B C33B H33C 110.0 5_676 . ? C34B C33B H33D 110.0 5_676 . ? O13B C34B H34C 109.2 . . ? O13B C34B H34D 109.2 . . ? C33B C34B H34C 109.2 5_676 . ? C33B C34B H34D 109.2 5_676 . ? H34C C34B H34D 107.9 . . ? C21A O7A C24A 109.5(6) . . ? O7A C21A H21A 108.8 . . ? O7A C21A H21B 108.8 . . ? O7A C21A C22A 113.8(6) . . ? H21A C21A H21B 107.7 . . ? C22A C21A H21A 108.8 . . ? C22A C21A H21B 108.8 . . ? C21A C22A H22A 109.4 . . ? C21A C22A H22B 109.4 . . ? H22A C22A H22B 108.0 . . ? O8A C22A C21A 111.1(6) . . ? O8A C22A H22A 109.4 . . ? O8A C22A H22B 109.4 . . ? H23A C23A H23B 108.6 . . ? C24A C23A H23A 110.4 . . ? C24A C23A H23B 110.4 . . ? O8A C23A H23A 110.4 . . ? O8A C23A H23B 110.4 . . ? O8A C23A C24A 106.4(6) . . ? O7A C24A C23A 113.0(6) . . ? O7A C24A H24A 109.0 . . ? O7A C24A H24B 109.0 . . ? C23A C24A H24A 109.0 . . ? C23A C24A H24B 109.0 . . ? H24A C24A H24B 107.8 . . ? C22A O8A C23A 109.5(5) . . ? C21B O7B C24B 117(2) . . ? H23C C23B H23D 111.7 . . ? C24B C23B H23C 114.6 . . ? C24B C23B H23D 114.6 . . ? O8B C23B H23C 114.6 . . ? O8B C23B H23D 114.6 . . ? O8B C23B C24B 84.1(17) . . ? O7B C24B C23B 104(2) . . ? O7B C24B H24C 111.0 . . ? O7B C24B H24D 111.0 . . ? C23B C24B H24C 111.0 . . ? C23B C24B H24D 111.0 . . ? H24C C24B H24D 109.0 . . ? O7B C21B H21C 114.1 . . ? O7B C21B H21D 114.1 . . ? O7B C21B C22B 87.2(17) . . ? H21C C21B H21D 111.3 . . ? C22B C21B H21C 114.1 . . ? C22B C21B H21D 114.1 . . ? C21B C22B H22C 112.8 . . ? C21B C22B H22D 112.8 . . ? H22C C22B H22D 110.3 . . ? O8B C22B C21B 95(2) . . ? O8B C22B H22C 112.8 . . ? O8B C22B H22D 112.8 . . ? C23B O8B C22B 120.0(18) . . ? 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 _geom_hbond_publ_flag O3 H3 O4 0.84 2.21 2.663(4) 114.0 . yes O3 H3 O11 0.84 1.98 2.757(4) 153.8 . yes O4 H4 O1 0.84 2.15 2.888(4) 145.9 2_546 yes O4 H4 O2 0.84 2.19 2.861(4) 136.5 2_546 yes O5 H5 O3 0.84 1.98 2.811(4) 172.0 5_666 yes O6 H6 O5 0.84 2.30 2.724(4) 111.3 . yes O6 H6 O12 0.84 2.05 2.799(4) 148.9 5_656 yes 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 C3 C4 O2 -1.5(5) . . . . ? O1 C3 C4 C5 178.3(4) . . . . ? O2 C4 C5 C6 178.1(4) . . . . ? O3 C11 C12 C7 177.0(3) . . . . ? O4 C10 C11 O3 0.2(5) . . . . ? O4 C10 C11 C12 179.7(3) . . . . ? O5 C17 C18 C13 -179.1(3) . . . . ? O6 C16 C17 O5 -1.0(6) . . . . ? O6 C16 C17 C18 178.9(4) . . . . ? C1 C2 C3 O1 -176.5(4) . . . . ? C1 C2 C3 C4 3.3(5) . . . . ? C1 C6 C20 C8 55.3(4) . . . . ? C1 C6 C20 C14 -57.5(4) . . . . ? C2 C1 C6 C5 -1.5(6) . . . . ? C2 C1 C6 C20 176.3(4) . . . . ? C2 C1 C19 C7 128.7(4) . . . . ? C2 C1 C19 C13 -118.9(4) . . . . ? C2 C3 C4 O2 178.6(4) . . . . ? C2 C3 C4 C5 -1.5(5) . . . . ? C3 C4 C5 C6 -1.8(5) . . . . ? C4 C5 C6 C1 3.4(6) . . . . ? C4 C5 C6 C20 -174.1(4) . . . . ? C5 C6 C20 C8 -127.0(4) . . . . ? C5 C6 C20 C14 120.2(4) . . . . ? C6 C1 C2 C3 -2.0(6) . . . . ? C6 C1 C19 C7 -54.5(4) . . . . ? C6 C1 C19 C13 57.8(4) . . . . ? C7 C8 C9 C10 -0.4(5) . . . . ? C7 C8 C20 C6 -55.4(4) . . . . ? C7 C8 C20 C14 55.3(4) . . . . ? C8 C7 C12 C11 2.3(5) . . . . ? C8 C7 C19 C1 56.2(4) . . . . ? C8 C7 C19 C13 -53.6(4) . . . . ? C8 C9 C10 O4 -178.1(3) . . . . ? C8 C9 C10 C11 0.1(5) . . . . ? C9 C8 C20 C6 126.8(4) . . . . ? C9 C8 C20 C14 -122.6(4) . . . . ? C9 C10 C11 O3 -178.2(3) . . . . ? C9 C10 C11 C12 1.3(6) . . . . ? C10 C11 C12 C7 -2.5(5) . . . . ? C12 C7 C8 C9 -0.8(5) . . . . ? C12 C7 C8 C20 -178.8(3) . . . . ? C12 C7 C19 C1 -126.0(4) . . . . ? C12 C7 C19 C13 124.2(4) . . . . ? C13 C14 C15 C16 0.6(6) . . . . ? C13 C14 C20 C6 58.7(4) . . . . ? C13 C14 C20 C8 -54.5(4) . . . . ? C14 C13 C18 C17 -1.8(6) . . . . ? C14 C13 C19 C1 -58.4(4) . . . . ? C14 C13 C19 C7 54.2(4) . . . . ? C14 C15 C16 O6 -179.7(4) . . . . ? C14 C15 C16 C17 -1.4(6) . . . . ? C15 C14 C20 C6 -118.7(4) . . . . ? C15 C14 C20 C8 128.1(4) . . . . ? C15 C16 C17 O5 -179.3(4) . . . . ? C15 C16 C17 C18 0.6(6) . . . . ? C16 C17 C18 C13 1.0(6) . . . . ? C18 C13 C14 C15 1.0(5) . . . . ? C18 C13 C14 C20 -176.6(3) . . . . ? C18 C13 C19 C1 117.8(4) . . . . ? C18 C13 C19 C7 -129.6(4) . . . . ? C19 C1 C2 C3 174.5(3) . . . . ? C19 C1 C6 C5 -178.4(3) . . . . ? C19 C1 C6 C20 -0.6(4) . . . . ? C19 C7 C8 C9 177.1(3) . . . . ? C19 C7 C8 C20 -0.9(4) . . . . ? C19 C7 C12 C11 -175.4(3) . . . . ? C19 C13 C14 C15 177.4(3) . . . . ? C19 C13 C14 C20 -0.2(4) . . . . ? C19 C13 C18 C17 -177.8(3) . . . . ? C20 C8 C9 C10 177.3(3) . . . . ? C20 C14 C15 C16 177.8(4) . . . . ? O11 C29 C30 O12 -58.3(5) . . . . ? O12 C31 C32 O11 57.3(5) . . . . ? C29 O11 C32 C31 -56.1(5) . . . . ? C30 O12 C31 C32 -58.3(5) . . . . ? C31 O12 C30 C29 58.4(5) . . . . ? C32 O11 C29 C30 57.2(5) . . . . ? O9 C25 C26 O10 -56.7(6) . . . . ? O10 C27 C28 O9 58.3(6) . . . . ? C25 O9 C28 C27 -56.5(5) . . . . ? C26 O10 C27 C28 -57.6(6) . . . . ? C27 O10 C26 C25 56.8(5) . . . . ? C28 O9 C25 C26 55.7(5) . . . . ? C34A C33A O13A C34A 60.6(13) 5_676 . . . ? C33A C34A O13A C33A -59.3(13) 5_676 . . . ? C33B O13B C34B C33B -57.8(19) . . . 5_676 ? C34B O13B C33B C34B 56.0(19) . . . 5_676 ? O7A C21A C22A O8A 54.1(10) . . . . ? C21A O7A C24A C23A 57.0(9) . . . . ? C21A C22A O8A C23A -57.8(9) . . . . ? C24A O7A C21A C22A -51.8(9) . . . . ? C24A C23A O8A C22A 60.5(9) . . . . ? O8A C23A C24A O7A -61.2(9) . . . . ? O7B C21B C22B O8B 82(2) . . . . ? C24B O7B C21B C22B -33(3) . . . . ? C24B C23B O8B C22B -22(3) . . . . ? C21B O7B C24B C23B -56(3) . . . . ? C21B C22B O8B C23B -61(3) . . . . ? O8B C23B C24B O7B 77(2) . . . . ? _shelx_res_file ; TITL jw2050_a.res in I2/a jw2050.res created by SHELXL-2018/3 at 11:43:35 on 04-May-2018 REM Old TITL jw2050 in I2/a REM SHELXT solution in I2/a REM R1 0.214, Rweak 0.020, Alpha 0.038, Orientation as input REM Formula found by SHELXT: C39 O9 CELL 1.34139 24.0009 8.5212 31.5599 90 93.151 90 ZERR 8 0.0011 0.0004 0.0021 0 0.002 0 LATT 2 SYMM 0.5-X,+Y,-Z SFAC C H O DISP C 0.0139 0.007 57.7477 DISP H -0 0 0.6481 DISP O 0.039 0.025 193.9543 UNIT 272 320 104 EQIV $1 0.5-X,-1+Y,1-Z EQIV $2 1-X,1-Y,1-Z EQIV $3 1-X,-Y,1-Z DFIX 1.5 0.001 C21A C22A C21B C22B C23A C24A C23B C24B SADI O13A C33A O13A C34A O13B C33B O13B C34B SADI O7A C21A O7B C21B O7A C24A O7B C24B SADI O8A C22A O8B C22B O8A C23A O8B C23B SADI C21A C22A C21B C22B C23A C24A C23B C24B SIMU 0.02 0.01 2 O13A O13B C33A C33B C34A C34B SIMU 0.02 0.01 2 O7A C21A C22A C23A C24A O8A O7B C21B C22B C23B C24B O8B EADP C21A C21B EADP C22A C22B EADP C23A C23B EADP C24A C24B EADP O7A O7B EADP O8A O8B L.S. 30 PLAN 10 SIZE 0.03 0.06 0.17 TEMP -123 HTAB O3 O4 HTAB O3 O11 HTAB O4 O1_$1 HTAB O4 O2_$1 HTAB O5 O3_$2 HTAB O6 O5 HTAB O6 O12_$3 BOND $H list 4 WPDB CONF HTAB fmap 2 acta REM REM REM WGHT 0.141400 9.833800 EXTI 0.000314 FVAR 0.20348 0.60021 0.77421 O1 3 0.252474 0.994059 0.440955 11.00000 0.05022 0.04625 = 0.07898 -0.00065 0.00567 0.00744 O2 3 0.175669 0.773458 0.420613 11.00000 0.04465 0.05844 = 0.08272 0.00532 0.00183 0.00877 O3 3 0.430962 0.317522 0.612038 11.00000 0.04832 0.05464 = 0.06008 0.00759 -0.00296 -0.00981 AFIX 147 H3 2 0.425169 0.229593 0.622996 11.00000 -1.50000 AFIX 0 O4 3 0.357229 0.094326 0.590094 11.00000 0.05009 0.05340 = 0.06458 0.00789 -0.00626 -0.01393 AFIX 147 H4 2 0.333257 0.029523 0.580669 11.00000 -1.50000 AFIX 0 O5 3 0.499167 0.460502 0.345943 11.00000 0.04504 0.06588 = 0.06857 -0.01252 0.01072 -0.00612 AFIX 147 H5 2 0.522667 0.522572 0.357372 11.00000 -1.50000 AFIX 0 O6 3 0.421979 0.236187 0.324093 11.00000 0.05534 0.07863 = 0.07175 -0.02296 0.01196 -0.00873 AFIX 147 H6 2 0.454578 0.244740 0.315952 11.00000 -1.50000 AFIX 0 C1 1 0.333486 0.652013 0.461945 11.00000 0.03550 0.04724 = 0.04775 -0.00119 0.00433 0.00122 C2 1 0.321412 0.806543 0.460637 11.00000 0.03941 0.04366 = 0.06050 -0.00033 0.00478 -0.00048 AFIX 43 H2 2 0.348698 0.881780 0.469787 11.00000 -1.20000 AFIX 0 C3 1 0.266394 0.856308 0.445125 11.00000 0.05588 0.04470 = 0.05061 0.00404 0.00768 0.00590 C4 1 0.222406 0.729003 0.432920 11.00000 0.03769 0.05631 = 0.05234 0.00244 0.00339 0.00444 C5 1 0.239073 0.566243 0.436661 11.00000 0.03392 0.05323 = 0.05311 0.00183 0.00399 -0.00111 AFIX 43 H5A 2 0.212815 0.485116 0.430199 11.00000 -1.20000 AFIX 0 C6 1 0.292217 0.530278 0.449402 11.00000 0.04007 0.04616 = 0.04730 0.00340 0.00455 0.00064 C7 1 0.382105 0.461060 0.507755 11.00000 0.03390 0.04407 = 0.05117 0.00005 0.00259 0.00348 C8 1 0.343618 0.345025 0.495612 11.00000 0.03227 0.04600 = 0.05820 -0.00218 0.00134 0.00165 C9 1 0.333533 0.220996 0.522462 11.00000 0.03375 0.04430 = 0.06001 0.00040 0.00378 -0.00215 AFIX 43 H9 2 0.307051 0.142490 0.514114 11.00000 -1.20000 AFIX 0 C10 1 0.362233 0.212488 0.561364 11.00000 0.03597 0.04376 = 0.06149 0.00840 0.00341 0.00086 C11 1 0.401207 0.328478 0.573723 11.00000 0.03842 0.05025 = 0.04777 -0.00066 0.00068 -0.00090 C12 1 0.410243 0.454418 0.547150 11.00000 0.03345 0.04159 = 0.06176 -0.00165 0.00436 -0.00227 AFIX 43 H12 2 0.435526 0.535397 0.555919 11.00000 -1.20000 AFIX 0 C13 1 0.404217 0.494735 0.433630 11.00000 0.03599 0.03930 = 0.05221 0.00231 -0.00086 0.00357 C14 1 0.365350 0.379689 0.421456 11.00000 0.03641 0.04178 = 0.05610 -0.00062 -0.00187 0.00347 C15 1 0.371958 0.294759 0.384751 11.00000 0.03953 0.05072 = 0.05822 -0.00585 -0.00192 -0.00204 AFIX 43 H15 2 0.345390 0.216806 0.376149 11.00000 -1.20000 AFIX 0 C16 1 0.417026 0.323029 0.360628 11.00000 0.04364 0.05509 = 0.05791 -0.01394 0.00185 0.00082 C17 1 0.455527 0.439418 0.372493 11.00000 0.03721 0.05572 = 0.05726 0.00111 0.00527 0.00098 C18 1 0.449207 0.527151 0.408952 11.00000 0.03698 0.04659 = 0.05378 -0.00294 0.00171 -0.00148 AFIX 43 H18 2 0.475048 0.607741 0.416933 11.00000 -1.20000 AFIX 0 C19 1 0.390094 0.583603 0.473708 11.00000 0.03294 0.04064 = 0.05578 -0.00259 -0.00026 0.00065 AFIX 13 H19 2 0.418511 0.664878 0.482435 11.00000 -1.20000 AFIX 0 C20 1 0.317497 0.368374 0.451128 11.00000 0.03651 0.04283 = 0.05628 0.00126 -0.00048 -0.00106 AFIX 13 H20 2 0.290035 0.284356 0.442595 11.00000 -1.20000 AFIX 0 O11 3 0.435727 0.068035 0.667751 11.00000 0.06533 0.05410 = 0.07026 0.00310 -0.01130 -0.00024 O12 3 0.484401 -0.165140 0.721414 11.00000 0.06969 0.05456 = 0.06419 0.00167 -0.00553 0.00589 C29 1 0.426928 -0.095448 0.659881 11.00000 0.05817 0.05806 = 0.07326 0.00653 -0.01258 -0.00427 AFIX 23 H29A 2 0.455219 -0.134099 0.640726 11.00000 -1.20000 H29B 2 0.389641 -0.110901 0.645478 11.00000 -1.20000 AFIX 0 C30 1 0.430717 -0.188422 0.700141 11.00000 0.05440 0.06043 = 0.07643 0.00205 0.00798 0.00122 AFIX 23 H30A 2 0.401096 -0.154569 0.718767 11.00000 -1.20000 H30B 2 0.425180 -0.301216 0.693676 11.00000 -1.20000 AFIX 0 C31 1 0.493076 -0.002060 0.730200 11.00000 0.07601 0.05584 = 0.06409 -0.00376 -0.00768 0.00587 AFIX 23 H31A 2 0.530466 0.013260 0.744444 11.00000 -1.20000 H31B 2 0.464855 0.035274 0.749591 11.00000 -1.20000 AFIX 0 C32 1 0.488659 0.091816 0.689741 11.00000 0.06061 0.05644 = 0.07781 -0.00064 -0.00542 -0.00378 AFIX 23 H32A 2 0.493553 0.204655 0.696425 11.00000 -1.20000 H32B 2 0.518740 0.059945 0.671295 11.00000 -1.20000 AFIX 0 O9 3 0.383380 0.416562 0.691292 11.00000 0.06146 0.07303 = 0.08031 0.00691 0.00698 0.00246 O10 3 0.274444 0.301939 0.701604 11.00000 0.06279 0.09606 = 0.08332 0.00314 0.01234 -0.00337 C25 1 0.368743 0.343603 0.729682 11.00000 0.06561 0.08583 = 0.06996 0.00761 -0.00212 0.00363 AFIX 23 H25A 2 0.357377 0.424915 0.749883 11.00000 -1.20000 H25B 2 0.401669 0.288159 0.742669 11.00000 -1.20000 AFIX 0 C26 1 0.322021 0.229313 0.721798 11.00000 0.07050 0.08180 = 0.08401 0.01037 0.00843 0.00617 AFIX 23 H26A 2 0.334647 0.142750 0.703729 11.00000 -1.20000 H26B 2 0.311774 0.183697 0.749150 11.00000 -1.20000 AFIX 0 C27 1 0.289581 0.372610 0.663076 11.00000 0.06887 0.09738 = 0.06507 0.00291 0.00267 -0.00622 AFIX 23 H27A 2 0.256644 0.425789 0.649358 11.00000 -1.20000 H27B 2 0.301866 0.290325 0.643505 11.00000 -1.20000 AFIX 0 C28 1 0.335502 0.489185 0.670960 11.00000 0.07294 0.07215 = 0.07362 0.00701 0.00074 0.00658 AFIX 23 H28A 2 0.345645 0.535344 0.643647 11.00000 -1.20000 H28B 2 0.322450 0.575048 0.689078 11.00000 -1.20000 AFIX 0 PART 1 C34A 1 0.472684 0.942211 0.534464 21.00000 0.07048 0.06749 = 0.10243 -0.00237 0.00820 -0.00894 AFIX 23 H34A 2 0.457497 0.852736 0.550181 21.00000 -1.20000 H34B 2 0.467699 1.038961 0.551205 21.00000 -1.20000 AFIX 0 C33A 1 0.466495 1.083743 0.472017 21.00000 0.06492 0.07014 = 0.12200 0.00942 -0.01403 0.00308 AFIX 23 H33A 2 0.461760 1.181940 0.488193 21.00000 -1.20000 H33B 2 0.445901 1.094983 0.444133 21.00000 -1.20000 AFIX 0 O13A 3 0.444339 0.956205 0.494389 21.00000 0.05067 0.07627 = 0.11446 -0.00835 -0.00607 -0.01171 PART 0 PART 2 O13B 3 0.515333 1.137033 0.521233 -21.00000 0.06948 0.05596 = 0.12636 -0.00366 0.00219 -0.00470 C33B 1 0.505801 0.999509 0.544673 -21.00000 0.05760 0.07407 = 0.11496 0.00144 0.00430 -0.00413 AFIX 23 H33C 2 0.466765 0.997461 0.553292 -21.00000 -1.20000 H33D 2 0.530925 0.997104 0.570615 -21.00000 -1.20000 AFIX 0 C34B 1 0.483194 1.141187 0.482920 -21.00000 0.05580 0.05812 = 0.12782 0.01579 0.00328 -0.00385 AFIX 23 H34C 2 0.491788 1.238361 0.467372 -21.00000 -1.20000 H34D 2 0.443155 1.143720 0.488941 -21.00000 -1.20000 AFIX 0 PART 0 PART 1 O7A 3 0.320580 0.816467 0.277291 31.00000 0.09239 0.11063 = 0.08093 0.02081 0.01304 0.02174 C21A 1 0.334738 0.681965 0.301852 31.00000 0.11078 0.11150 = 0.09785 0.01621 0.02699 0.04101 AFIX 23 H21A 2 0.372822 0.647972 0.295474 31.00000 -1.20000 H21B 2 0.308735 0.595967 0.293349 31.00000 -1.20000 AFIX 0 C22A 1 0.332810 0.707626 0.348737 31.00000 0.09017 0.10580 = 0.09170 0.03405 0.02770 0.04660 AFIX 23 H22A 2 0.339829 0.606953 0.363753 31.00000 -1.20000 H22B 2 0.362570 0.782137 0.358264 31.00000 -1.20000 AFIX 0 C23A 1 0.268927 0.916942 0.336075 31.00000 0.08500 0.08510 = 0.08254 0.01483 0.00876 0.02008 AFIX 23 H23A 2 0.298383 0.994995 0.343599 31.00000 -1.20000 H23B 2 0.232447 0.960957 0.343238 31.00000 -1.20000 AFIX 0 C24A 1 0.268565 0.877775 0.289735 31.00000 0.08365 0.10557 = 0.09175 0.01713 0.00989 0.02172 AFIX 23 H24A 2 0.238851 0.799690 0.282977 31.00000 -1.20000 H24B 2 0.259502 0.973640 0.273026 31.00000 -1.20000 AFIX 0 O8A 3 0.280067 0.768210 0.359285 31.00000 0.06325 0.08636 = 0.07875 0.02138 0.01299 0.01022 PART 0 PART 2 O7B 3 0.338333 0.852948 0.290682 -31.00000 0.09239 0.11063 = 0.08093 0.02081 0.01304 0.02174 C23B 1 0.256248 0.856684 0.325033 -31.00000 0.08500 0.08510 = 0.08254 0.01483 0.00876 0.02008 AFIX 23 H23C 2 0.222961 0.913548 0.334101 -31.00000 -1.20000 H23D 2 0.245867 0.766763 0.306367 -31.00000 -1.20000 AFIX 0 C24B 1 0.301214 0.959895 0.309119 -31.00000 0.08365 0.10557 = 0.09175 0.01713 0.00989 0.02172 AFIX 23 H24C 2 0.285682 1.035315 0.287728 -31.00000 -1.20000 H24D 2 0.320345 1.018840 0.332716 -31.00000 -1.20000 AFIX 0 C21B 1 0.360252 0.731056 0.317233 -31.00000 0.11078 0.11150 = 0.09785 0.01621 0.02699 0.04101 AFIX 23 H21C 2 0.398352 0.697337 0.310817 -31.00000 -1.20000 H21D 2 0.335000 0.639935 0.319505 -31.00000 -1.20000 AFIX 0 C22B 1 0.358455 0.844863 0.353382 -31.00000 0.09017 0.10580 = 0.09170 0.03405 0.02770 0.04660 AFIX 23 H22C 2 0.382649 0.813070 0.378327 -31.00000 -1.20000 H22D 2 0.367103 0.953766 0.345008 -31.00000 -1.20000 AFIX 0 O8B 3 0.298208 0.820286 0.359679 -31.00000 0.06325 0.08636 = 0.07875 0.02138 0.01299 0.01022 HKLF 4 REM jw2050_a.res in I2/a REM wR2 = 0.2532, GooF = S = 1.031, Restrained GooF = 1.016 for all data REM R1 = 0.0811 for 3431 Fo > 4sig(Fo) and 0.1295 for all 5526 data REM 476 parameters refined using 250 restraints END WGHT 0.1414 9.8338 REM Instructions for potential hydrogen bonds HTAB O3 O4 HTAB O3 O11 HTAB O4 O1_$1 HTAB O4 O2_$1 HTAB O5 O3_$2 HTAB O6 O5 HTAB O6 O12_$3 HTAB C2 O13A HTAB C9 O1_$1 HTAB C18 O3_$2 HTAB C29 O4 HTAB C30 O5_$3 EQIV $5 x, y-1, z HTAB C30 O9_$5 EQIV $6 x, -y+3/2, z+1/2 HTAB C25 O7A_$6 HTAB C25 O7B_$6 EQIV $7 x, -y+1/2, z+1/2 HTAB C25 O6_$7 EQIV $8 -x+1/2, -y+1/2, -z+3/2 HTAB C26 O10_$8 EQIV $9 -x+1/2, -y+3/2, -z+1/2 HTAB C24A O7A_$9 REM Highest difference peak 0.531, deepest hole -0.360, 1-sigma level 0.065 Q1 1 0.3112 0.6276 0.3316 11.00000 0.05 0.53 Q2 1 0.3160 0.9036 0.3714 11.00000 0.05 0.42 Q3 1 0.3644 0.7790 0.3171 11.00000 0.05 0.40 Q4 1 0.3410 0.7354 0.3407 11.00000 0.05 0.32 Q5 1 0.3606 0.5005 0.5903 11.00000 0.05 0.25 Q6 1 0.4292 -0.1263 0.6077 11.00000 0.05 0.23 Q7 1 0.4395 0.0211 0.6156 11.00000 0.05 0.22 Q8 1 0.4857 0.5586 0.3417 11.00000 0.05 0.22 Q9 1 0.3863 0.6806 0.2982 11.00000 0.05 0.21 Q10 1 0.4171 0.6811 0.3277 11.00000 0.05 0.20 ; _shelx_res_checksum 95762 _shelx_hkl_file ; 0 0 2 486.95 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16 5.90 4.10 -4 4 -16 11.10 4.60 -4 4 -16 9.60 7.10 -4 -4 -14 6.30 5.20 -4 -4 -14 6.50 3.90 4 -4 14 8.40 3.00 4 -4 14 14.40 3.80 4 -4 14 4.00 3.40 -4 -4 -14 -1.60 3.60 -4 4 -14 6.50 6.10 -4 4 -14 12.20 4.50 4 4 14 6.90 4.00 -4 4 -14 3.90 4.00 -4 -4 -12 4.70 3.20 4 -4 12 -3.30 3.10 -4 -4 -12 1.90 4.00 -4 -4 -12 5.90 3.50 4 -4 12 -2.30 2.40 4 -4 12 2.30 2.50 4 4 12 4.10 4.00 -4 4 -12 5.90 3.60 -4 4 -12 -1.30 5.60 -4 4 -12 7.60 3.90 -4 -4 -10 28.60 6.80 4 -4 10 31.00 4.70 -4 -4 -10 26.70 5.50 -4 -4 -10 24.00 5.80 -4 -4 -10 21.70 5.50 4 -4 10 26.10 5.10 4 -4 10 33.20 5.70 -4 4 -10 14.40 5.60 -4 4 -10 27.00 6.10 -4 4 -10 30.60 6.40 4 4 10 32.70 6.80 -4 -4 -8 30.20 6.10 -4 -4 -8 17.30 3.40 -4 -4 -8 20.70 4.80 -4 -4 -8 21.10 4.30 4 -4 8 23.30 4.30 4 -4 8 19.10 3.70 4 -4 8 24.10 5.40 4 4 8 22.90 4.50 -4 4 -8 14.60 5.50 -4 4 -8 19.90 4.20 -4 4 -8 23.10 5.70 4 -4 6 885.61 45.50 -4 -4 -6 729.53 45.00 -4 -4 -6 864.41 46.60 4 -4 6 868.01 45.30 -4 -4 -6 849.41 45.00 4 -4 6 720.53 44.90 -4 -4 -6 784.62 45.50 4 -4 6 804.22 45.00 -4 4 -6 836.22 45.50 -4 4 -6 828.12 45.20 4 4 6 849.81 46.10 -4 -4 -4 22.20 5.00 -4 -4 -4 20.40 4.30 4 -4 4 17.40 4.50 -4 -4 -4 22.70 5.60 4 -4 4 22.40 4.80 4 -4 4 25.80 4.40 4 -4 4 28.70 4.30 -4 4 -4 20.50 3.70 -4 4 -4 22.90 5.60 4 -4 2 324.27 19.80 4 -4 2 315.07 18.40 4 -4 2 328.77 18.60 -4 -4 -2 361.26 18.20 -4 -4 -2 313.67 18.70 4 -4 2 308.97 18.50 -4 -4 -2 317.37 20.30 -4 4 -2 275.17 18.50 -4 4 -2 327.87 18.90 -4 -4 0 139.39 9.00 -4 -4 0 121.59 10.90 4 -4 0 124.89 8.70 4 -4 0 135.89 8.70 4 -4 0 126.79 11.00 -4 -4 0 145.69 8.10 4 -4 0 121.99 8.80 -4 -4 0 124.49 9.70 -4 4 0 127.79 9.40 -4 4 0 127.29 8.80 -4 4 0 128.99 9.30 4 -4 -2 504.95 28.30 -4 -4 2 527.15 28.90 -4 -4 2 500.45 29.40 4 -4 -2 515.25 28.30 -4 -4 2 558.04 28.40 -4 -4 2 495.05 27.70 4 -4 -2 522.75 28.50 -4 4 2 476.35 28.50 -4 4 2 489.75 28.30 -4 4 2 493.05 28.70 4 4 -2 492.65 27.90 -4 -4 4 2.30 3.00 -4 -4 4 -0.80 2.10 -4 -4 4 -0.90 3.10 4 -4 -4 0.80 2.90 4 -4 -4 -2.60 2.10 4 -4 -4 1.10 2.20 -4 4 4 -0.20 2.70 -4 4 4 0.50 4.10 4 4 -4 7.20 2.50 -4 4 4 1.30 2.10 -4 -4 6 4.90 2.70 -4 -4 6 5.40 3.40 4 -4 -6 12.30 3.40 4 -4 -6 5.60 2.40 4 -4 -6 9.30 3.40 -4 -4 6 14.10 3.30 -4 -4 6 6.20 2.90 4 -4 -6 8.10 2.50 -4 4 6 0.50 2.90 4 4 -6 8.40 2.50 -4 -4 8 24.60 5.10 -4 -4 8 29.50 5.00 -4 -4 8 31.10 6.00 4 -4 -8 27.90 4.90 4 -4 -8 28.90 4.50 -4 -4 8 23.60 4.30 -4 4 8 29.80 5.70 4 4 -8 32.70 4.40 -4 4 8 29.60 4.70 -4 -4 10 316.67 18.60 -4 -4 10 306.67 19.50 4 -4 -10 306.57 18.30 4 -4 -10 316.57 18.80 4 -4 -10 319.97 18.80 -4 -4 10 312.47 18.90 -4 -4 10 330.07 19.20 -4 4 10 310.37 18.40 -4 4 10 304.37 19.10 4 4 -10 323.47 18.30 -4 4 10 321.57 18.40 -4 -4 12 3.30 3.20 4 -4 -12 -1.00 3.30 -4 -4 12 2.80 2.60 4 -4 -12 2.00 2.50 -4 -4 12 -0.60 3.00 4 -4 -12 -0.40 3.00 4 4 -12 1.20 2.70 -4 4 12 -0.30 2.90 -4 4 12 1.70 2.40 4 -4 -14 68.69 8.10 -4 -4 14 61.39 7.30 4 -4 -14 67.49 6.50 -4 -4 14 59.59 7.30 -4 -4 14 63.69 6.30 4 -4 -14 71.49 6.80 -4 4 14 62.99 6.00 4 4 -14 58.99 6.50 4 4 -14 56.99 8.60 -4 4 14 50.69 7.30 -4 -4 16 17.00 3.50 4 -4 -16 10.10 3.40 4 -4 -16 6.20 4.80 4 -4 -16 10.40 3.60 -4 -4 16 13.60 3.60 -4 4 16 12.30 3.20 -4 4 16 10.40 3.90 4 4 -16 15.40 5.30 4 4 -16 8.60 3.60 4 -4 -18 -5.30 3.30 -4 -4 18 -3.60 3.60 -4 -4 18 6.00 3.10 4 -4 -18 4.40 3.50 4 -4 -18 -4.60 4.80 4 -4 -18 1.70 3.50 4 4 -18 -1.90 3.50 -4 4 18 -1.50 3.10 4 4 -18 5.10 5.60 -4 4 18 1.80 3.80 -4 -4 20 46.90 8.10 4 -4 -20 34.50 8.50 -4 -4 20 48.50 6.40 4 -4 -20 42.50 6.30 4 -4 -20 54.79 7.20 -4 4 20 40.10 7.80 -4 4 20 46.20 7.30 4 4 -20 44.50 9.40 4 4 -20 50.89 7.20 4 -4 -22 1.10 3.60 4 -4 -22 3.00 3.80 4 -4 -22 9.40 4.60 -4 4 22 4.40 4.30 4 4 -22 8.00 4.60 4 4 -22 11.10 7.00 4 -4 -24 -0.30 3.50 -4 -4 24 2.00 3.60 4 -4 -24 -0.60 4.70 4 4 -24 0.60 4.60 4 4 -24 2.80 7.00 -4 4 24 2.90 4.50 -4 -4 26 12.90 4.20 4 -4 -26 12.90 4.40 -4 4 26 10.70 5.10 4 4 -26 16.40 5.60 -4 -4 28 -0.10 4.70 4 -4 -28 -2.30 4.20 4 -4 -28 -10.40 5.30 -4 4 28 -1.60 5.10 4 4 -28 -3.40 5.10 4 -4 -30 -5.30 4.80 4 -4 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4.00 4 -5 19 22.10 5.40 4 5 19 11.90 4.80 -4 5 -19 14.70 5.40 -4 5 -19 17.00 5.90 -4 -5 -17 104.19 10.40 4 -5 17 84.39 8.70 -4 -5 -17 81.29 13.80 4 -5 17 120.59 8.80 -4 -5 -17 85.69 10.00 4 5 17 110.69 10.30 -4 5 -17 79.09 16.20 -4 5 -17 113.39 10.70 -4 5 -17 112.09 11.60 -4 -5 -15 -1.70 6.10 4 -5 15 3.70 3.30 -4 -5 -15 -0.20 4.10 -4 5 -15 0.30 4.60 -4 5 -15 -9.80 7.70 -4 5 -15 7.80 4.90 -4 -5 -13 1.30 4.80 -4 -5 -13 1.80 5.90 4 -5 13 5.10 3.20 4 -5 13 -1.50 2.80 -4 -5 -13 -5.40 3.60 4 -5 13 -0.40 2.90 4 -5 13 -0.30 4.00 -4 5 -13 2.90 6.80 4 5 13 -0.70 3.80 -4 5 -13 3.30 4.50 -4 5 -13 1.50 4.60 -4 -5 -11 10.50 4.80 -4 -5 -11 3.30 5.90 4 -5 11 8.10 2.90 4 -5 11 2.10 2.90 4 -5 11 5.10 3.20 -4 -5 -11 6.20 3.50 4 -5 11 -1.20 3.60 4 5 11 8.00 4.20 -4 5 -11 -1.30 4.10 -4 5 -11 7.60 6.50 -4 5 -11 12.20 4.70 -4 -5 -9 0.50 4.90 4 -5 9 8.00 3.80 -4 -5 -9 4.40 4.20 4 -5 9 6.80 2.80 -4 -5 -9 5.30 3.10 4 -5 9 10.20 3.30 4 5 9 3.60 4.20 -4 5 -9 0.20 5.50 -4 5 -9 0.80 4.00 -4 5 -9 -4.50 4.10 4 -5 7 4.70 2.70 4 -5 7 4.70 2.80 -4 -5 -7 7.60 2.90 -4 -5 -7 7.20 5.00 4 -5 7 7.40 3.00 -4 -5 -7 5.50 3.90 4 -5 7 9.50 4.10 -4 5 -7 4.20 4.10 -4 5 -7 7.70 4.20 4 5 7 3.20 3.90 -4 -5 -5 40.90 6.70 4 -5 5 39.40 5.20 -4 -5 -5 26.30 6.10 4 -5 5 37.20 5.10 4 -5 5 40.40 5.00 4 -5 5 39.70 8.20 -4 -5 -5 44.30 5.10 4 5 5 37.00 7.80 -4 5 -5 41.10 6.90 -4 5 -5 35.10 7.40 4 -5 3 18.70 4.60 -4 -5 -3 14.80 3.70 -4 -5 -3 15.00 2.80 4 -5 3 15.30 2.80 -4 -5 -3 8.90 5.10 4 -5 3 12.90 2.80 4 -5 3 12.40 4.60 -4 5 -3 16.20 4.30 -4 -5 -1 4.70 3.00 4 -5 1 0.20 2.40 4 -5 1 0.00 4.30 -4 -5 -1 5.70 2.20 4 -5 1 6.60 2.80 4 -5 1 0.80 2.20 -4 -5 -1 3.80 4.10 -4 5 -1 4.70 2.60 4 -5 -1 9.50 2.50 4 -5 -1 8.00 3.20 -4 -5 1 6.00 4.40 4 -5 -1 12.10 4.70 -4 -5 1 8.20 3.80 4 -5 -1 12.10 2.80 -4 -5 1 14.60 2.30 -4 -5 1 8.80 3.00 -4 5 1 8.80 2.70 -4 5 1 11.70 3.60 4 -5 -3 4.70 2.20 -4 -5 3 4.40 2.70 4 -5 -3 0.10 3.10 -4 -5 3 1.80 3.70 -4 -5 3 2.00 3.30 4 -5 -3 4.50 2.40 4 -5 -3 0.30 4.50 4 5 -3 -4.60 4.10 -4 5 3 6.50 3.20 -4 5 3 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5 15 7.60 3.30 -4 -5 17 22.00 4.90 4 -5 -17 18.60 4.20 -4 -5 17 14.30 5.50 4 -5 -17 30.10 5.40 -4 5 17 28.90 6.10 -4 5 17 10.00 4.40 -4 -5 19 120.09 11.10 4 -5 -19 100.69 8.70 4 -5 -19 105.69 9.90 4 -5 -19 96.59 11.60 -4 -5 19 94.79 9.10 4 5 -19 113.09 9.90 -4 5 19 112.99 10.40 -4 5 19 129.59 10.00 4 -5 -21 26.90 5.60 -4 -5 21 18.30 4.40 4 5 -21 19.50 5.70 -4 5 21 33.60 7.80 4 -5 -23 5.10 3.80 -4 -5 23 -1.90 3.80 4 -5 -23 2.20 4.70 -4 5 23 0.80 4.50 4 5 -23 3.70 5.20 4 -5 -25 3.70 5.40 4 -5 -25 -2.50 10.30 -4 -5 25 3.70 4.30 4 -5 -25 9.70 4.00 4 5 -25 2.40 5.30 -4 5 25 8.30 5.10 -4 -5 27 15.50 5.20 4 -5 -27 10.60 5.70 4 -5 -27 3.40 4.50 4 5 -27 0.20 6.90 4 5 -27 3.50 5.30 -4 5 27 6.40 5.30 4 -5 -29 -9.90 5.70 4 -5 -29 7.30 4.90 4 5 -29 12.50 7.50 4 -5 -31 -8.60 5.30 4 -5 -31 3.00 6.30 4 5 -31 12.00 8.60 4 5 -31 -4.70 6.30 -4 -6 -28 -6.00 6.10 4 -6 28 3.20 4.30 4 6 28 7.70 10.20 -4 6 -28 5.80 5.50 4 6 28 -2.80 5.60 -4 6 -28 -5.10 7.00 4 -6 26 10.40 4.50 -4 -6 -26 15.60 6.60 4 6 26 15.30 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10 75.29 10.20 -4 -6 -10 75.09 13.70 -4 6 -10 88.29 9.90 -4 6 -10 80.99 13.80 4 -6 8 112.69 8.80 4 -6 8 110.39 8.50 4 -6 8 91.09 7.60 4 -6 8 95.19 10.50 -4 -6 -8 98.19 8.70 -4 -6 -8 99.69 10.20 -4 -6 -8 75.89 13.20 -4 6 -8 94.79 13.50 -4 6 -8 89.79 9.90 4 6 8 128.99 16.70 4 -6 6 22.50 3.30 -4 -6 -6 15.60 3.90 4 -6 6 21.90 5.70 -4 -6 -6 28.00 6.70 4 -6 6 26.30 5.30 -4 -6 -6 15.40 4.80 4 6 6 21.40 5.70 -4 6 -6 22.60 5.40 4 -6 4 234.48 17.10 4 -6 4 231.38 14.50 4 -6 4 236.48 15.00 4 -6 4 211.58 13.90 -4 -6 -4 201.78 18.10 -4 -6 -4 206.38 15.60 -4 -6 -4 269.17 14.60 4 6 4 259.17 17.20 -4 6 -4 234.68 15.80 -4 6 -4 226.68 15.20 4 -6 2 11.60 5.50 4 -6 2 9.40 3.00 -4 -6 -2 9.50 3.80 -4 -6 -2 7.50 5.30 4 -6 2 10.70 2.50 -4 -6 -2 8.40 3.00 4 -6 2 9.20 3.70 -4 6 -2 3.80 4.10 -4 6 -2 9.50 3.30 -4 -6 0 19.70 5.60 4 -6 0 15.00 5.70 4 -6 0 19.30 4.90 -4 -6 0 23.10 5.80 4 -6 0 24.50 4.30 4 -6 0 32.30 6.60 4 -6 -2 29.40 5.20 -4 -6 2 35.10 5.90 -4 -6 2 27.60 5.20 -4 -6 2 40.10 9.10 4 -6 -2 28.80 6.70 4 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1 205.58 13.50 -5 4 1 193.08 13.30 5 -4 -3 274.37 16.50 -5 -4 3 283.57 16.80 -5 -4 3 285.77 17.00 -5 -4 3 288.77 17.70 5 -4 -3 272.47 16.40 -5 -4 3 294.87 16.40 5 -4 -3 279.77 16.30 -5 4 3 261.67 16.70 5 4 -3 275.27 15.90 -5 4 3 266.27 16.40 -5 4 3 295.67 17.20 -5 -4 5 24.10 6.30 5 -4 -5 21.10 4.40 -5 -4 5 24.80 5.00 -5 -4 5 18.00 3.50 5 -4 -5 29.60 5.30 -5 4 5 20.10 4.50 -5 4 5 19.80 4.80 5 4 -5 29.30 4.00 -5 4 5 23.70 5.30 5 -4 -7 7.20 2.50 -5 -4 7 5.30 2.90 -5 -4 7 3.50 3.10 -5 -4 7 1.00 3.60 5 -4 -7 14.20 3.70 5 -4 -7 5.20 2.50 -5 -4 7 5.40 2.90 -5 4 7 8.30 2.60 -5 4 7 10.40 3.00 -5 4 7 -3.70 4.60 5 4 -7 4.50 2.50 -5 -4 9 47.00 4.50 5 -4 -9 41.60 5.10 -5 -4 9 46.20 6.80 5 -4 -9 51.49 5.80 -5 -4 9 48.40 6.00 -5 -4 9 46.90 5.60 5 -4 -9 40.50 6.20 -5 4 9 42.00 5.20 5 4 -9 48.30 4.90 -5 4 9 45.10 5.60 -5 4 9 44.00 6.10 -5 -4 11 11.80 3.40 5 -4 -11 6.30 2.80 -5 -4 11 6.90 2.90 -5 -4 11 9.70 3.30 5 -4 -11 5.90 3.50 5 -4 -11 4.50 3.20 -5 -4 11 16.10 3.40 -5 4 11 13.90 3.50 -5 4 11 5.90 3.20 -5 4 11 11.20 2.70 5 4 -11 11.70 3.00 -5 -4 13 113.39 8.80 -5 -4 13 117.29 9.20 5 -4 -13 103.19 8.50 5 -4 -13 129.99 9.10 5 -4 -13 110.69 9.50 -5 -4 13 125.89 9.60 5 4 -13 115.19 8.70 -5 4 13 125.99 8.60 -5 4 13 109.19 9.50 5 -4 -15 61.69 7.00 -5 -4 15 65.89 7.50 -5 -4 15 50.09 7.20 5 -4 -15 70.49 6.50 5 -4 -15 53.99 8.30 -5 -4 15 66.49 6.50 -5 4 15 56.59 7.30 5 4 -15 62.99 6.70 -5 4 15 62.99 6.30 5 -4 -17 -0.30 4.60 5 -4 -17 11.20 3.80 -5 -4 17 7.70 3.70 -5 -4 17 6.50 3.10 5 -4 -17 8.40 3.40 -5 -4 17 4.30 3.80 5 4 -17 6.40 3.70 -5 4 17 4.80 3.20 -5 4 17 8.10 3.90 5 -4 -19 0.80 3.70 5 -4 -19 4.70 4.00 -5 -4 19 4.00 4.00 5 -4 -19 3.00 3.90 5 -4 -19 2.10 5.40 -5 -4 19 7.70 3.30 -5 4 19 0.90 3.50 -5 4 19 3.10 4.50 5 4 -19 5.70 4.10 5 -4 -21 14.00 4.10 5 -4 -21 11.50 4.60 -5 -4 21 14.40 4.70 5 -4 -21 18.80 4.30 5 4 -21 19.70 4.90 -5 4 21 11.20 4.50 5 -4 -23 25.70 5.60 5 -4 -23 37.90 6.50 -5 -4 23 17.80 4.20 5 -4 -23 33.20 5.70 5 4 -23 25.60 5.50 -5 4 23 33.10 7.80 -5 -4 25 29.70 6.80 5 -4 -25 22.60 5.80 5 -4 -25 32.10 6.30 5 4 -25 24.00 5.90 -5 4 25 30.80 8.40 5 -4 -27 0.50 4.00 -5 -4 27 4.00 4.80 5 -4 -27 -5.20 5.20 -5 4 27 -0.30 4.50 5 4 -27 -8.30 4.70 5 -4 -29 2.30 5.50 5 -4 -29 0.00 4.40 5 4 -29 -3.40 5.20 -5 4 29 7.40 5.40 5 -4 -31 16.00 6.30 5 -4 -31 4.10 4.90 5 4 -31 3.40 6.10 -5 4 31 13.50 6.50 5 -4 -33 11.70 7.60 -5 4 33 6.40 5.80 5 4 -33 10.20 7.60 5 4 -33 -3.40 6.00 5 -5 30 -0.50 4.10 -5 5 -30 4.10 6.20 5 5 30 4.30 6.20 -5 5 -30 -2.00 7.60 5 5 30 -10.50 9.30 -5 5 -30 -2.90 6.70 5 -5 28 11.80 4.60 -5 -5 -28 5.20 7.30 5 5 28 2.40 5.80 -5 5 -28 -0.70 5.10 -5 5 -28 3.40 8.20 5 5 28 11.40 8.10 -5 5 -28 -1.50 7.20 -5 -5 -26 1.10 7.40 5 -5 26 2.00 4.20 -5 -5 -26 0.70 6.10 -5 5 -26 7.60 7.10 5 5 26 2.30 5.40 5 -5 24 9.70 3.70 5 -5 24 2.00 5.10 -5 -5 -24 2.00 5.50 -5 -5 -24 12.50 6.60 -5 5 -24 9.30 6.50 5 5 24 -5.30 4.80 -5 5 -24 1.80 6.10 -5 -5 -22 13.80 6.20 -5 -5 -22 14.20 6.00 5 -5 22 4.70 3.80 5 -5 22 17.70 4.20 5 5 22 13.70 5.40 -5 5 -22 12.80 6.30 -5 5 -22 10.80 6.00 5 -5 20 7.40 3.50 -5 -5 -20 12.80 11.40 -5 -5 -20 10.50 5.70 -5 -5 -20 6.30 5.50 5 5 20 1.00 4.60 -5 5 -20 6.80 5.60 -5 5 -20 7.40 5.20 -5 -5 -18 -7.50 5.70 5 -5 18 -1.80 3.20 -5 -5 -18 -6.00 4.60 5 -5 18 0.00 3.40 -5 5 -18 1.90 10.70 5 5 18 3.30 4.40 -5 5 -18 4.20 5.30 -5 5 -18 -5.00 4.80 -5 -5 -16 31.20 7.70 -5 -5 -16 28.40 8.10 -5 -5 -16 40.80 8.40 5 -5 16 42.50 7.20 5 5 16 42.60 8.40 -5 5 -16 54.79 10.00 -5 5 -16 37.40 10.00 -5 5 -16 54.59 8.90 5 -5 14 -4.40 3.20 -5 -5 -14 2.90 4.30 -5 -5 -14 4.40 6.10 -5 5 -14 1.70 4.90 -5 5 -14 10.70 8.00 5 5 14 1.80 4.20 -5 5 -14 1.90 4.80 5 -5 12 14.30 3.50 5 -5 12 12.90 3.30 -5 -5 -12 10.20 4.10 5 -5 12 6.50 4.70 5 -5 12 7.40 3.50 -5 -5 -12 13.40 6.00 -5 5 -12 6.80 4.80 -5 5 -12 11.20 4.80 5 5 12 13.70 4.70 -5 5 -12 5.60 6.50 5 -5 10 12.70 3.20 -5 -5 -10 10.90 4.50 -5 -5 -10 11.20 4.00 -5 -5 -10 2.60 5.60 5 -5 10 9.40 4.10 5 -5 10 10.80 3.50 -5 5 -10 0.60 4.20 -5 5 -10 9.40 4.60 5 5 10 9.30 4.40 -5 5 -10 2.90 6.00 5 -5 8 70.89 8.40 -5 -5 -8 55.59 10.90 -5 -5 -8 42.40 7.80 5 -5 8 59.09 6.40 5 -5 8 56.69 6.60 5 -5 8 70.59 6.50 -5 -5 -8 58.79 6.70 5 5 8 66.49 8.40 -5 5 -8 41.20 8.30 -5 5 -8 56.29 10.70 -5 5 -8 65.49 7.80 -5 -5 -6 9.90 3.40 -5 -5 -6 13.30 5.40 -5 -5 -6 13.90 4.30 5 -5 6 20.70 3.60 -5 5 -6 26.80 6.70 -5 5 -6 10.50 4.20 5 5 6 16.20 5.00 -5 5 -6 13.50 5.90 5 -5 4 15.40 3.20 -5 -5 -4 19.00 3.20 -5 -5 -4 16.20 5.50 5 -5 4 17.30 3.20 5 -5 4 19.60 4.70 5 -5 4 12.00 4.50 -5 -5 -4 9.50 3.90 -5 5 -4 17.70 4.40 -5 5 -4 10.40 3.30 -5 5 -4 19.20 4.50 5 -5 2 2.40 2.60 -5 -5 -2 -1.00 2.50 5 -5 2 -4.30 4.20 -5 -5 -2 -6.20 4.20 -5 -5 -2 2.60 3.40 5 -5 2 5.70 2.60 5 -5 2 4.60 2.50 -5 5 -2 0.00 3.80 -5 5 -2 6.60 2.80 5 -5 0 0.50 2.30 5 -5 0 -4.40 4.30 -5 -5 0 -1.10 3.80 5 -5 0 1.00 2.70 -5 -5 0 2.10 2.80 5 -5 0 2.20 2.50 -5 -5 0 0.20 2.30 -5 5 0 5.70 3.20 -5 5 0 0.20 2.40 5 -5 -2 235.58 14.50 5 -5 -2 230.88 16.60 -5 -5 2 217.98 15.00 5 -5 -2 235.68 14.10 -5 -5 2 234.58 14.30 5 -5 -2 214.28 13.90 -5 -5 2 238.78 15.70 -5 5 2 220.08 14.60 -5 5 2 230.68 14.20 -5 -5 4 26.20 6.30 5 -5 -4 33.50 4.80 -5 -5 4 34.00 5.10 -5 -5 4 25.80 5.00 5 -5 -4 30.00 4.50 5 -5 -4 41.10 6.50 5 5 -4 28.70 6.70 -5 5 4 44.10 5.60 -5 5 4 34.80 5.70 -5 -5 6 0.40 3.40 5 -5 -6 3.70 3.40 -5 -5 6 -0.50 2.50 5 -5 -6 6.50 2.50 5 -5 -6 -0.60 2.50 -5 -5 6 0.30 3.20 5 5 -6 -0.50 3.30 -5 5 6 1.20 3.10 -5 5 6 -1.00 2.60 5 -5 -8 120.49 8.70 -5 -5 8 118.09 8.70 -5 -5 8 123.89 9.80 -5 -5 8 134.89 10.60 5 -5 -8 130.99 9.60 -5 5 8 111.59 9.60 5 5 -8 138.09 9.20 -5 5 8 118.59 9.20 -5 -5 10 4.30 3.60 5 -5 -10 0.70 3.40 5 -5 -10 -4.30 2.40 -5 -5 10 6.00 3.40 5 -5 -10 0.50 3.40 -5 -5 10 2.20 2.60 -5 5 10 0.10 3.30 -5 5 10 0.10 2.50 5 5 -10 -2.80 3.20 -5 -5 12 -1.70 3.70 5 -5 -12 6.90 3.40 5 -5 -12 5.90 2.90 -5 -5 12 7.80 3.40 5 -5 -12 -1.60 3.60 -5 5 12 -0.50 3.40 5 5 -12 2.90 3.50 -5 5 12 0.70 2.80 -5 -5 14 2.80 3.40 -5 -5 14 0.10 3.80 5 -5 -14 1.80 3.10 5 -5 -14 0.00 4.10 5 -5 -14 0.00 3.10 5 5 -14 1.90 3.70 -5 5 14 3.50 3.80 -5 5 14 2.20 3.10 5 -5 -16 7.00 3.20 5 -5 -16 6.00 3.40 5 -5 -16 2.00 5.10 -5 -5 16 2.10 3.40 -5 -5 16 3.60 4.10 -5 5 16 4.30 3.40 -5 5 16 -1.30 3.40 5 5 -16 6.20 4.20 5 -5 -18 37.40 8.60 -5 -5 18 29.30 5.40 -5 -5 18 25.40 4.30 5 -5 -18 19.70 4.00 5 -5 -18 26.30 6.40 5 5 -18 18.90 4.90 -5 5 18 28.30 6.80 5 -5 -20 6.30 3.50 5 -5 -20 5.00 4.00 5 -5 -20 8.80 5.70 -5 -5 20 5.10 3.70 -5 -5 20 0.00 5.30 -5 5 20 14.40 4.50 5 5 -20 1.00 4.20 -5 5 20 8.50 4.60 -5 -5 22 1.00 3.90 5 -5 -22 1.60 4.60 5 5 -22 10.30 5.00 -5 5 22 -1.80 4.30 5 -5 -24 19.90 5.80 -5 -5 24 31.60 7.40 5 -5 -24 26.90 6.40 -5 5 24 26.80 5.90 5 5 -24 22.60 6.30 5 -5 -26 4.30 5.30 -5 -5 26 10.00 5.00 5 -5 -26 4.90 13.00 5 -5 -26 6.20 4.00 5 5 -26 5.50 5.80 -5 5 26 -3.00 4.90 5 -5 -28 -0.80 4.30 5 -5 -28 -9.40 5.50 -5 5 28 -5.50 5.30 5 5 -28 -7.20 5.40 5 -5 -30 2.30 4.90 5 5 -30 7.90 8.20 5 5 -30 -2.50 5.90 -5 5 30 0.30 5.10 5 -6 27 2.70 4.30 -5 -6 -27 0.00 6.10 -5 6 -27 -1.00 6.80 -5 6 -27 -2.10 5.40 5 6 27 0.40 5.80 -5 6 -27 5.30 10.20 -5 6 -25 4.00 8.40 -5 6 -25 20.70 8.90 -5 -6 -23 0.60 6.10 5 6 23 9.70 5.60 -5 6 -23 6.70 8.00 -5 6 -23 5.50 4.80 -5 6 -23 3.20 6.30 -5 -6 -21 11.30 5.50 5 -6 21 -6.20 4.00 5 -6 21 2.20 3.80 -5 6 -21 -1.00 5.80 -5 6 -21 -5.40 7.10 5 6 21 6.30 5.20 -5 -6 -19 -8.00 9.40 5 -6 19 2.00 3.70 5 -6 19 -1.60 3.50 -5 -6 -19 5.80 5.10 -5 6 -19 6.30 5.90 5 6 19 0.90 4.70 -5 6 -19 0.90 6.70 -5 -6 -17 1.80 4.70 5 -6 17 2.70 3.60 -5 -6 -17 -4.60 8.70 5 -6 17 -0.80 3.30 -5 6 -17 6.20 5.60 5 6 17 2.50 4.90 -5 6 -17 10.40 13.90 -5 6 -17 11.80 6.60 5 -6 15 183.38 12.20 5 -6 15 174.48 11.40 -5 -6 -15 116.59 17.40 -5 -6 -15 143.79 12.80 5 6 15 162.58 13.50 -5 6 -15 130.69 20.90 -5 6 -15 164.88 13.50 -5 -6 -13 3.90 4.30 -5 -6 -13 -2.80 7.60 5 -6 13 3.20 3.70 5 -6 13 2.80 2.90 -5 6 -13 5.90 5.10 -5 6 -13 4.70 9.20 5 6 13 9.10 5.10 -5 -6 -11 11.30 7.30 -5 -6 -11 14.70 5.30 -5 -6 -11 15.50 5.50 5 -6 11 22.70 5.50 5 -6 11 26.50 4.80 5 -6 11 15.00 3.80 -5 6 -11 19.00 8.50 -5 6 -11 6.10 4.80 5 6 11 20.10 5.50 -5 -6 -9 69.79 13.10 5 -6 9 68.99 6.90 5 -6 9 74.89 7.70 5 -6 9 66.09 10.30 -5 -6 -9 69.49 8.70 -5 -6 -9 75.09 8.10 -5 6 -9 90.39 10.10 -5 6 -9 64.09 12.90 5 6 9 90.19 9.50 -5 -6 -7 2.70 4.50 5 -6 7 9.70 3.00 -5 -6 -7 -1.10 5.90 -5 -6 -7 3.40 3.60 5 -6 7 6.00 3.20 5 -6 7 8.90 3.20 5 -6 7 0.40 4.90 -5 6 -7 13.30 5.10 5 6 7 7.00 8.50 -5 6 -7 7.90 3.80 -5 6 -7 12.40 7.10 -5 -6 -5 10.20 5.60 5 -6 5 3.50 2.50 -5 -6 -5 -1.70 3.40 5 -6 5 3.60 2.90 5 -6 5 -0.80 5.10 5 -6 5 3.50 3.20 -5 -6 -5 2.10 4.20 -5 6 -5 -1.20 3.40 -5 6 -5 2.20 4.80 5 6 5 3.70 5.20 5 -6 3 7.40 5.10 -5 -6 -3 2.80 5.00 5 -6 3 -1.10 2.20 -5 -6 -3 -2.40 3.20 -5 -6 -3 3.10 4.00 5 -6 3 -2.50 3.10 5 -6 3 2.50 2.70 -5 6 -3 -0.40 3.70 -5 6 -3 4.00 4.60 -5 6 -3 1.70 3.20 5 -6 1 17.10 4.30 5 -6 1 8.20 5.60 -5 -6 -1 6.20 4.00 -5 -6 -1 8.90 5.20 5 -6 1 13.30 3.40 5 -6 1 4.80 3.70 -5 6 -1 8.50 3.40 -5 6 -1 5.70 3.80 -5 -6 1 -1.10 3.20 -5 -6 1 4.20 4.40 5 -6 -1 -4.90 4.80 5 -6 -1 7.50 2.60 5 -6 -1 2.80 2.70 5 -6 -1 3.30 3.60 -5 6 1 4.60 3.50 -5 6 1 6.10 3.30 5 -6 -3 4.70 5.50 5 -6 -3 1.70 3.70 -5 -6 3 6.40 3.90 -5 -6 3 14.80 4.80 5 -6 -3 2.50 2.90 5 -6 -3 8.70 2.70 -5 -6 3 6.50 3.30 5 -6 -3 2.10 3.90 -5 6 3 0.30 3.30 -5 6 3 6.10 3.40 -5 -6 5 36.70 5.90 -5 -6 5 40.20 7.20 5 -6 -5 35.80 6.40 5 -6 -5 30.60 4.90 5 -6 -5 46.10 6.20 -5 -6 5 35.00 5.80 -5 6 5 31.40 6.60 -5 6 5 31.70 6.90 -5 -6 7 2.20 3.70 5 -6 -7 3.10 3.70 5 -6 -7 0.90 2.70 5 -6 -7 -2.10 3.30 -5 -6 7 -4.30 3.80 -5 -6 7 -3.40 2.80 5 -6 -7 6.60 6.20 -5 6 7 4.80 3.30 5 -6 -9 1.60 5.60 5 -6 -9 -1.20 5.30 -5 -6 9 0.90 4.20 5 -6 -9 -3.10 3.40 5 -6 -9 3.40 3.60 -5 -6 9 -0.70 3.00 -5 6 9 7.90 3.50 5 6 -9 3.50 5.40 -5 6 9 -2.90 2.80 5 -6 -11 -2.10 3.50 -5 -6 11 8.20 3.40 -5 -6 11 12.00 4.80 -5 -6 11 10.40 4.10 5 -6 -11 3.80 3.40 5 -6 -11 -6.70 5.90 5 -6 -11 3.10 2.90 5 6 -11 12.60 5.20 -5 6 11 1.80 3.10 -5 6 11 -2.60 3.40 5 -6 -13 20.30 4.90 -5 -6 13 37.30 8.50 5 -6 -13 22.10 5.80 -5 -6 13 35.80 6.50 5 6 -13 22.60 5.60 -5 6 13 35.30 5.90 -5 6 13 22.00 6.10 5 -6 -15 5.00 3.30 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4.30 6 -4 -26 2.80 5.20 6 -4 -26 16.30 4.60 6 -4 -26 6.00 4.40 6 4 -26 1.60 4.90 -6 4 26 6.60 5.20 6 -4 -28 0.50 4.50 6 -4 -28 -2.10 5.50 6 4 -28 10.90 5.50 -6 4 28 -7.20 4.90 6 -4 -30 -2.60 4.40 6 -4 -30 6.30 6.00 6 4 -30 -9.70 5.30 -6 4 30 -1.00 5.40 6 -4 -32 0.00 6.70 6 -4 -32 -6.40 4.70 -6 4 32 3.10 5.90 6 4 -32 2.00 6.10 6 -5 29 1.60 4.00 -6 5 -29 1.30 6.70 6 5 29 -14.80 8.40 6 5 29 1.90 6.30 -6 5 -29 6.10 6.20 -6 5 -29 -1.50 7.60 6 -5 27 19.50 5.00 -6 5 -27 23.20 6.00 6 5 27 11.20 5.70 -6 5 -27 24.80 7.30 -6 -5 -25 6.00 6.30 6 -5 25 19.30 4.70 -6 5 -25 13.70 5.10 -6 5 -25 25.60 7.00 -6 5 -25 12.20 6.80 6 5 25 14.20 6.10 6 -5 23 -3.30 4.40 6 -5 23 1.30 3.70 -6 -5 -23 -2.50 5.70 6 5 23 5.40 5.10 -6 5 -23 -1.10 6.10 -6 5 -23 -2.10 6.10 6 -5 21 86.09 8.30 6 -5 21 83.09 8.30 -6 -5 -21 64.19 10.90 6 5 21 78.39 9.90 -6 5 -21 69.39 11.00 -6 5 -21 77.79 11.10 -6 -5 -19 13.30 8.50 6 -5 19 5.10 3.40 -6 -5 -19 -3.00 5.20 6 -5 19 12.60 4.00 6 5 19 -1.80 4.40 -6 5 -19 3.50 5.30 -6 5 -19 9.30 5.80 -6 5 -19 5.30 12.30 6 -5 17 2.40 3.00 6 -5 17 6.90 3.50 -6 -5 -17 -8.30 4.70 -6 -5 -17 -3.10 7.20 6 5 17 -4.30 4.20 -6 5 -17 -2.00 5.20 -6 5 -17 -7.20 4.60 -6 5 -17 -2.10 10.00 -6 -5 -15 86.59 13.60 6 -5 15 97.09 8.30 -6 5 -15 72.79 10.80 -6 5 -15 112.89 10.40 6 5 15 98.49 9.90 -6 5 -15 84.89 15.90 -6 -5 -13 179.98 16.90 -6 -5 -13 182.78 13.90 6 -5 13 201.28 13.40 6 -5 13 192.08 12.80 -6 5 -13 178.88 17.10 6 5 13 203.78 14.60 -6 5 -13 187.58 14.70 -6 5 -13 193.28 14.20 -6 -5 -11 158.28 14.70 6 -5 11 148.49 10.90 6 -5 11 117.59 10.40 -6 -5 -11 138.79 11.30 6 -5 11 155.88 10.40 -6 5 -11 137.29 11.80 -6 5 -11 165.48 12.30 6 5 11 154.58 12.50 -6 5 -11 132.39 14.60 -6 -5 -9 7.40 3.70 -6 -5 -9 4.60 5.70 6 -5 9 12.40 3.30 6 -5 9 11.70 4.20 6 -5 9 18.20 3.80 -6 -5 -9 3.40 4.40 6 -5 9 9.00 3.10 -6 5 -9 12.10 4.80 6 5 9 6.50 4.80 -6 5 -9 8.10 6.30 -6 5 -9 4.00 4.30 -6 -5 -7 104.49 10.10 6 -5 7 119.69 8.90 -6 -5 -7 107.69 8.90 -6 -5 -7 113.49 12.40 6 -5 7 115.29 10.70 6 -5 7 117.69 8.60 6 -5 7 97.29 8.60 -6 5 -7 103.59 9.90 -6 5 -7 96.89 12.40 6 5 7 125.99 11.10 -6 5 -7 107.69 9.30 -6 5 -7 125.69 10.20 -6 -5 -5 21.30 5.20 6 -5 5 18.80 3.70 -6 -5 -5 21.10 4.60 -6 -5 -5 9.60 5.10 6 -5 5 22.40 4.60 6 -5 5 19.30 3.50 6 -5 5 17.90 4.80 -6 5 -5 17.80 3.70 -6 5 -5 11.50 4.70 -6 5 -5 21.10 4.70 -6 5 -5 25.50 6.40 6 -5 3 4.50 2.80 6 -5 3 4.10 2.80 -6 -5 -3 7.00 2.80 -6 -5 -3 5.50 4.40 6 -5 3 1.80 4.30 6 -5 3 3.80 2.80 -6 -5 -3 2.20 3.60 -6 5 -3 6.40 7.60 -6 5 -3 13.10 4.20 -6 5 -3 0.80 3.30 -6 5 -3 5.90 2.80 6 -5 1 8.20 2.70 -6 -5 -1 2.10 4.30 -6 -5 -1 13.30 3.70 6 -5 1 5.20 4.50 6 -5 1 8.70 2.90 -6 -5 -1 6.90 3.30 6 -5 1 8.40 2.80 -6 5 -1 7.20 6.10 -6 5 -1 9.10 3.20 -6 5 -1 6.60 2.70 -6 -5 1 179.88 11.90 6 -5 -1 173.08 14.20 6 -5 -1 192.58 11.50 6 -5 -1 165.98 11.30 -6 -5 1 173.48 13.50 6 -5 -1 169.88 11.60 -6 5 1 167.88 11.80 -6 5 1 175.28 11.60 6 -5 -3 -1.10 2.40 6 -5 -3 2.30 3.10 -6 -5 3 1.70 3.40 -6 -5 3 -1.60 3.50 6 -5 -3 -1.30 2.30 -6 -5 3 2.20 2.70 -6 5 3 -0.20 2.60 6 -5 -5 141.79 10.20 6 -5 -5 131.39 9.20 6 -5 -5 128.69 9.30 -6 -5 5 140.69 9.50 -6 -5 5 115.39 10.30 -6 -5 5 142.19 11.30 -6 5 5 137.59 9.70 -6 5 5 130.99 9.90 -6 -5 7 17.10 4.00 -6 -5 7 12.30 3.10 6 -5 -7 20.00 4.90 6 -5 -7 16.50 3.10 6 -5 -7 9.90 3.80 -6 -5 7 17.50 4.00 -6 5 7 19.20 5.00 6 5 -7 10.50 3.40 -6 5 7 9.70 3.20 -6 -5 9 35.80 6.20 6 -5 -9 22.70 5.40 -6 -5 9 23.80 4.70 6 -5 -9 23.40 4.80 -6 -5 9 35.90 7.40 6 -5 -9 28.10 5.90 -6 5 9 20.60 5.50 -6 5 9 30.20 5.00 -6 5 9 19.60 4.10 6 5 -9 32.80 5.40 6 -5 -11 31.90 6.30 -6 -5 11 34.40 6.50 6 -5 -11 51.29 5.70 6 -5 -11 47.00 7.00 -6 -5 11 50.79 7.60 6 5 -11 39.70 6.00 -6 5 11 27.80 6.30 -6 5 11 49.60 5.90 6 -5 -13 5.10 3.00 6 -5 -13 5.40 4.00 -6 -5 13 7.10 3.60 6 -5 -13 -4.30 3.30 -6 -5 13 -1.80 3.90 6 5 -13 1.60 3.50 -6 5 13 -1.60 3.40 -6 5 13 4.40 3.00 -6 -5 15 222.98 14.50 -6 -5 15 199.58 14.10 6 -5 -15 208.08 15.10 6 -5 -15 188.28 13.40 6 -5 -15 205.58 13.60 6 5 -15 220.28 13.80 -6 5 15 187.28 14.50 -6 5 15 219.78 13.80 6 -5 -17 12.40 3.70 6 -5 -17 6.80 3.80 6 -5 -17 1.20 5.20 -6 -5 17 16.10 4.70 -6 -5 17 13.80 3.90 6 5 -17 11.20 5.70 -6 5 17 11.80 3.70 -6 5 17 7.60 4.10 6 -5 -19 5.90 5.20 6 -5 -19 1.10 3.90 -6 -5 19 2.90 3.70 6 -5 -19 -3.00 3.20 -6 -5 19 -1.10 4.90 -6 5 19 6.90 4.10 6 5 -19 5.10 4.20 -6 5 19 2.00 3.80 -6 -5 21 4.60 6.30 6 -5 -21 -2.60 3.10 -6 -5 21 4.90 4.00 6 -5 -21 0.30 4.10 -6 5 21 -0.10 4.60 6 5 -21 7.60 4.50 -6 5 21 -4.70 3.80 6 -5 -23 4.80 3.60 6 -5 -23 3.90 4.70 -6 -5 23 6.80 4.30 -6 5 23 1.20 4.60 6 5 -23 8.10 4.90 6 -5 -25 5.30 3.90 6 -5 -25 11.00 5.30 -6 -5 25 2.10 5.20 6 5 -25 -0.60 5.20 -6 5 25 -0.70 4.60 6 -5 -27 4.00 4.10 6 -5 -27 6.50 5.60 6 5 -27 4.10 5.90 -6 5 27 7.80 5.30 6 -5 -29 4.80 5.70 6 -5 -29 6.20 4.70 6 5 -29 -1.30 5.90 -6 5 29 -2.90 5.00 6 5 -29 -12.00 7.70 6 -5 -31 0.30 5.10 6 -5 -31 2.10 6.40 6 5 -31 16.20 6.80 6 5 -31 -15.40 8.50 6 -6 28 -4.00 4.50 -6 6 -28 12.50 8.10 6 6 28 2.50 9.40 6 6 28 4.50 6.40 -6 6 -28 -1.00 6.10 -6 -6 -26 -3.70 6.40 6 -6 26 13.50 4.50 -6 6 -26 2.50 5.30 -6 6 -26 2.80 10.30 6 6 26 8.10 5.80 -6 6 -26 -4.30 6.90 -6 -6 -24 14.10 5.90 6 -6 24 10.00 4.50 6 6 24 9.80 5.80 -6 6 -24 20.00 5.60 -6 6 -24 16.80 7.20 -6 6 -24 26.00 9.90 6 -6 22 26.60 6.60 6 -6 22 23.10 4.60 6 6 22 12.80 5.60 -6 6 -22 10.30 5.10 -6 6 -22 12.50 8.10 -6 6 -22 3.70 6.30 -6 -6 -20 40.10 14.70 -6 -6 -20 0.10 5.60 6 -6 20 9.80 4.20 6 -6 20 10.40 4.00 -6 6 -20 5.60 4.40 -6 6 -20 7.40 6.00 6 6 20 11.90 5.50 -6 6 -20 9.10 7.30 -6 -6 -18 20.00 9.50 6 -6 18 25.80 6.00 -6 -6 -18 19.80 6.10 -6 6 -18 19.70 7.40 -6 6 -18 43.10 9.10 6 -6 16 6.00 3.50 -6 -6 -16 16.50 8.30 -6 -6 -16 6.60 4.90 6 -6 16 9.00 4.10 6 6 16 6.80 5.40 -6 6 -16 3.30 4.30 -6 6 -16 8.30 12.30 -6 6 -16 3.00 5.50 -6 6 -16 14.20 7.00 -6 -6 -14 61.49 9.20 6 -6 14 84.59 8.40 6 -6 14 82.69 7.60 -6 -6 -14 49.70 13.40 -6 6 -14 77.49 12.70 -6 6 -14 79.69 9.10 -6 6 -14 66.89 10.00 6 6 14 95.59 9.90 6 -6 12 19.10 4.30 -6 -6 -12 18.20 4.90 -6 -6 -12 11.30 7.50 6 -6 12 22.40 5.20 -6 6 -12 14.60 5.60 -6 6 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15.30 3.50 6 -6 0 6.80 2.80 -6 -6 0 10.50 4.00 6 -6 0 12.80 4.00 6 -6 0 16.20 5.90 -6 6 0 12.30 3.70 -6 6 0 6.00 3.40 6 -6 -2 60.49 11.10 -6 -6 2 90.99 8.50 6 -6 -2 88.39 7.10 6 -6 -2 80.09 8.70 6 -6 -2 101.99 7.70 -6 -6 2 75.29 10.50 -6 6 2 85.69 8.20 -6 6 2 81.49 8.50 -6 -6 4 265.67 15.80 -6 -6 4 279.07 17.70 6 -6 -4 240.18 14.90 6 -6 -4 248.28 15.30 6 -6 -4 256.87 16.10 6 -6 -4 215.18 15.40 -6 -6 4 244.48 16.50 6 -6 -4 218.08 18.30 -6 6 4 252.17 15.60 -6 6 4 214.98 15.70 6 -6 -6 324.87 20.80 6 -6 -6 306.97 23.50 -6 -6 6 381.46 21.00 -6 -6 6 356.76 21.80 6 -6 -6 342.77 20.40 6 -6 -6 387.96 21.10 -6 -6 6 375.66 22.50 -6 6 6 296.37 20.90 -6 6 6 356.76 21.10 -6 -6 8 36.10 7.80 6 -6 -8 37.70 8.70 6 -6 -8 45.10 7.30 6 -6 -8 27.70 6.50 6 -6 -8 27.80 7.40 -6 -6 8 53.39 8.90 -6 -6 8 44.30 6.20 -6 6 8 40.70 6.70 -6 -6 10 29.70 7.10 6 -6 -10 41.20 5.40 6 -6 -10 35.40 6.20 6 -6 -10 22.20 7.20 -6 -6 10 31.30 5.80 -6 -6 10 31.50 6.60 6 -6 -10 41.80 6.60 -6 6 10 39.20 6.00 -6 6 10 36.60 6.60 6 6 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7.70 5.60 -6 7 -11 10.50 10.90 -6 -7 -9 21.90 5.40 6 -7 9 34.10 5.70 -6 -7 -9 21.70 8.10 6 -7 9 34.90 6.90 -6 7 -9 26.30 10.40 6 7 9 35.70 8.90 -6 7 -9 35.50 7.70 -6 7 -9 23.70 6.50 -6 -7 -7 0.70 6.90 6 -7 7 10.90 7.40 6 -7 7 13.10 3.60 -6 -7 -7 19.10 5.40 6 -7 7 20.10 4.90 -6 -7 -7 8.50 5.30 6 -7 7 9.70 4.20 -6 7 -7 2.70 8.90 -6 7 -7 7.00 4.20 -6 7 -7 22.60 6.00 6 -7 5 23.80 4.60 6 -7 5 20.10 5.10 -6 -7 -5 20.40 5.30 6 -7 5 17.50 4.50 -6 -7 -5 18.00 7.30 6 -7 5 12.60 7.30 -6 7 -5 19.80 4.50 -6 7 -5 15.70 8.50 6 7 5 18.00 5.70 -6 7 -5 29.00 8.30 6 -7 3 37.30 8.20 6 -7 3 44.20 5.20 6 -7 3 41.20 6.10 6 -7 3 49.00 7.70 -6 -7 -3 30.20 7.70 -6 -7 -3 49.99 7.90 -6 7 -3 58.19 13.10 6 7 3 65.79 10.40 -6 7 -3 61.69 11.10 -6 7 -3 47.60 7.70 6 -7 1 107.59 8.00 -6 -7 -1 110.59 13.20 6 -7 1 98.79 13.60 6 -7 1 103.79 8.70 6 -7 1 104.59 10.10 -6 -7 -1 103.49 9.80 -6 7 -1 100.29 9.80 6 -7 -1 144.29 23.50 -6 -7 1 180.18 15.80 6 -7 -1 191.28 12.40 6 -7 -1 194.38 13.60 6 -7 -1 171.88 11.50 -6 -7 1 171.88 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19 35.70 6.60 -10 5 -19 31.00 7.90 -10 5 -19 62.59 11.40 -10 5 -19 29.10 13.80 10 5 19 38.30 9.00 10 -5 17 374.66 24.60 10 -5 17 431.36 24.30 -10 5 -17 428.16 26.60 10 5 17 435.26 25.40 -10 5 -17 357.46 30.50 -10 5 -17 372.36 26.20 -10 5 -17 409.86 25.70 10 -5 15 569.14 35.90 -10 -5 -15 515.45 37.40 10 -5 15 648.34 35.50 -10 5 -15 659.33 37.20 -10 5 -15 646.74 37.30 -10 5 -15 628.74 40.00 -10 5 -15 616.74 36.70 10 5 15 664.53 36.60 -10 -5 -13 -0.90 6.20 -10 -5 -13 7.80 4.90 10 -5 13 4.30 3.10 10 5 13 -2.60 4.60 -10 5 -13 0.60 3.70 -10 5 -13 -8.10 5.20 -10 5 -13 0.50 3.30 -10 5 -13 2.80 5.50 -10 5 -13 -5.00 8.80 -10 -5 -11 -4.00 4.40 10 -5 11 4.20 2.90 -10 -5 -11 1.10 5.70 10 -5 11 8.80 3.80 10 5 11 3.40 4.80 -10 5 -11 4.90 5.30 -10 5 -11 6.90 3.40 -10 5 -11 7.10 3.70 -10 5 -11 7.00 8.90 -10 5 -11 -0.60 5.50 10 -5 9 216.88 15.40 -10 -5 -9 227.78 17.60 10 -5 9 238.88 14.70 -10 5 -9 227.68 19.70 -10 5 -9 229.68 16.90 -10 5 -9 224.38 16.00 10 5 9 243.08 17.50 10 -5 7 49.99 7.30 -10 -5 -7 70.99 10.60 10 -5 7 59.69 6.50 10 -5 7 59.49 7.30 10 -5 7 46.70 8.30 -10 5 -7 47.90 12.20 10 5 7 41.40 10.10 -10 5 -7 57.09 7.20 -10 5 -7 60.29 9.40 -10 5 -7 56.19 8.70 -10 -5 -5 6.00 4.70 10 -5 5 1.20 2.90 10 -5 5 10.40 3.80 10 -5 5 0.20 4.90 -10 5 -5 -2.30 2.90 -10 5 -5 3.90 4.50 -10 5 -5 -8.20 4.60 -10 5 -5 -0.30 6.20 -10 -5 -3 95.29 9.90 10 -5 3 88.49 7.30 10 -5 3 90.39 7.90 10 -5 3 73.59 9.90 10 -5 3 82.39 8.10 -10 5 -3 76.09 10.10 -10 5 -3 75.59 7.60 -10 5 -3 69.59 11.60 -10 5 -3 69.79 7.70 10 -5 1 -0.20 2.90 10 -5 1 2.50 2.80 10 -5 1 1.60 5.10 10 -5 1 3.40 3.50 -10 -5 -1 2.20 3.80 -10 5 -1 4.00 5.40 -10 5 -1 0.80 2.80 -10 5 -1 0.70 3.10 -10 5 -1 10.00 6.30 -10 -5 1 37.50 7.50 10 -5 -1 31.40 5.70 10 -5 -1 41.90 5.60 10 -5 -1 40.10 6.00 -10 5 1 43.20 6.30 -10 5 1 44.50 9.40 -10 5 1 28.10 6.80 -10 5 1 30.80 5.50 -10 -5 3 35.90 6.10 10 -5 -3 32.70 5.80 -10 -5 3 47.50 8.00 10 -5 -3 45.70 5.70 10 -5 -3 34.10 6.40 -10 5 3 45.40 6.10 -10 5 3 41.20 10.00 -10 5 3 37.20 10.30 -10 5 3 45.60 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6.70 -11 -3 6 41.00 5.70 -11 -3 6 56.49 8.20 11 -3 -6 47.00 6.00 11 3 -6 45.60 4.70 -11 3 6 43.90 6.30 -11 3 6 58.09 9.10 -11 3 6 57.79 5.80 -11 -3 8 -3.00 2.70 -11 -3 8 -0.60 3.00 -11 -3 8 -2.20 2.50 11 -3 -8 -0.30 2.80 -11 -3 8 0.80 3.00 11 -3 -8 0.20 2.20 -11 -3 8 -0.70 2.50 -11 -3 8 4.30 4.40 -11 3 8 -1.90 2.50 -11 3 8 -3.20 2.60 -11 3 8 3.80 5.00 -11 3 8 -4.20 4.20 11 3 -8 -0.40 2.10 -11 3 8 -2.20 2.70 11 -3 -10 4.30 2.70 -11 -3 10 4.20 2.60 11 -3 -10 7.50 2.60 -11 -3 10 1.50 2.90 -11 -3 10 3.10 2.80 -11 -3 10 0.80 3.30 -11 -3 10 5.10 3.50 -11 3 10 1.70 3.20 -11 3 10 3.60 4.50 -11 3 10 1.80 5.60 -11 3 10 0.60 2.90 -11 3 10 2.10 2.60 11 3 -10 -1.20 2.30 11 -3 -12 7.40 3.20 11 -3 -12 4.10 2.80 -11 -3 12 -1.70 3.50 -11 -3 12 3.40 3.00 -11 -3 12 -0.90 2.90 -11 -3 12 1.50 2.90 11 -3 -12 -1.20 4.40 -11 -3 12 -3.10 3.60 -11 3 12 17.90 6.60 -11 3 12 4.30 3.10 -11 3 12 9.80 4.50 11 3 -12 1.50 2.70 -11 3 12 2.70 2.90 -11 3 12 2.50 3.50 -11 -3 14 106.49 8.40 -11 -3 14 99.59 8.90 -11 -3 14 100.69 10.20 11 -3 -14 76.29 9.70 11 -3 -14 98.39 7.90 -11 -3 14 109.69 9.50 -11 -3 14 102.19 8.50 11 -3 -14 92.79 8.70 -11 3 14 98.99 13.50 -11 3 14 79.19 8.60 11 3 -14 108.29 8.00 -11 3 14 78.69 9.50 -11 3 14 95.39 8.70 -11 -3 16 180.68 13.80 -11 -3 16 197.48 13.40 11 -3 -16 198.78 14.10 -11 -3 16 216.38 13.60 11 -3 -16 176.98 13.70 -11 -3 16 183.18 14.70 -11 -3 16 192.38 13.10 11 -3 -16 208.18 12.70 -11 3 16 201.78 13.40 -11 3 16 168.38 17.70 -11 3 16 181.68 14.20 -11 3 16 166.58 13.40 11 3 -16 183.28 12.60 -11 -3 18 70.59 13.40 -11 -3 18 99.39 9.70 11 -3 -18 112.19 9.30 -11 -3 18 106.89 9.50 11 -3 -18 109.49 9.90 -11 3 18 108.09 11.70 -11 3 18 105.99 9.70 11 3 -18 108.69 9.20 -11 -3 20 25.10 5.10 -11 -3 20 32.20 6.90 11 -3 -20 34.60 7.20 -11 -3 20 28.30 5.60 11 -3 -20 26.50 6.00 -11 3 20 16.70 4.90 -11 3 20 20.10 6.80 -11 3 20 31.60 7.30 11 3 -20 36.20 6.40 11 -3 -22 4.60 4.30 11 -3 -22 2.10 4.20 -11 -3 22 -0.60 4.10 11 -3 -22 5.40 4.00 -11 -3 22 11.20 5.00 -11 -3 22 7.30 4.40 -11 3 22 5.80 4.60 11 3 -22 8.10 4.50 -11 3 22 -1.90 4.10 -11 -3 24 32.40 7.80 -11 -3 24 20.50 4.80 11 -3 -24 13.30 5.10 11 -3 -24 20.40 4.90 11 -3 -24 20.80 4.90 -11 -3 24 15.20 5.30 -11 3 24 16.60 5.40 -11 3 24 18.00 5.30 11 3 -24 11.00 5.00 -11 -3 26 6.90 4.60 -11 -3 26 -1.10 4.40 -11 -3 26 3.60 5.30 11 -3 -26 -0.40 4.30 11 -3 -26 4.10 4.40 11 -3 -26 3.60 5.10 -11 3 26 -1.80 4.80 11 3 -26 5.00 4.50 -11 3 26 2.80 6.30 11 -3 -28 -2.00 6.20 11 -3 -28 3.90 4.50 -11 -3 28 -8.40 6.10 11 -3 -28 0.30 4.20 11 3 -28 -2.60 5.10 -11 3 28 3.20 5.00 11 -3 -30 7.60 7.40 11 -3 -30 2.40 9.00 11 -3 -30 11.00 4.60 11 3 -30 15.40 8.00 -11 3 30 3.10 6.80 11 -3 -32 -2.00 4.80 11 -3 -32 10.70 5.30 11 3 -32 -7.90 5.20 11 -4 29 37.30 9.20 11 -4 29 18.40 4.90 -11 4 -29 0.40 7.90 11 4 29 13.00 8.00 -11 4 -29 12.10 7.60 -11 4 -29 19.80 7.60 11 -4 27 2.90 5.60 11 -4 27 5.30 3.90 -11 4 -27 1.10 7.20 11 4 27 -0.80 7.60 -11 4 -27 -8.20 6.90 -11 4 -27 5.90 6.10 11 -4 25 8.90 4.00 11 -4 25 -3.50 5.10 -11 4 -25 -5.70 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3.30 5.20 -11 4 -11 7.10 3.40 -11 4 -11 0.40 4.80 -11 4 -11 7.00 3.00 -11 -4 -9 9.10 4.20 11 -4 9 5.90 2.80 11 -4 9 4.40 4.10 11 4 9 13.60 5.30 -11 4 -9 9.80 3.50 -11 4 -9 6.80 3.10 -11 4 -9 9.70 4.90 -11 4 -9 7.30 4.90 -11 4 -9 0.80 6.70 11 -4 7 3.90 2.60 -11 -4 -7 3.30 3.80 11 -4 7 2.30 3.90 11 -4 7 -1.60 4.50 -11 4 -7 6.10 6.50 -11 4 -7 3.10 3.10 -11 4 -7 9.70 5.00 11 4 7 4.40 5.10 -11 4 -7 1.40 4.50 -11 4 -7 2.60 2.90 11 -4 5 30.50 6.40 11 -4 5 33.50 4.60 11 -4 5 17.30 4.80 -11 -4 -5 23.00 4.60 -11 4 -5 32.60 5.40 -11 4 -5 25.70 5.30 -11 4 -5 35.10 8.20 -11 4 -5 22.40 5.60 -11 4 -5 20.40 6.90 -11 -4 -3 7.30 2.60 -11 -4 -3 5.80 2.70 11 -4 3 6.10 3.30 -11 -4 -3 -2.20 3.40 11 -4 3 2.10 2.20 -11 4 -3 -2.70 5.40 -11 4 -3 3.70 4.20 -11 4 -3 -0.20 2.80 -11 4 -3 1.70 2.70 -11 -4 -1 -1.00 3.20 11 -4 1 -1.70 2.90 11 -4 1 -0.70 2.30 -11 -4 -1 -2.10 2.40 11 -4 1 -1.60 3.20 -11 -4 -1 -2.60 2.50 -11 4 -1 0.50 4.20 -11 4 -1 1.10 2.60 -11 4 -1 2.60 5.40 -11 4 -1 0.10 2.70 -11 -4 1 16.60 4.00 -11 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81.59 8.20 -11 4 9 77.99 7.50 11 -4 -11 353.16 20.00 -11 -4 11 322.27 20.20 -11 -4 11 338.37 20.80 11 -4 -11 322.77 21.20 11 -4 -11 367.86 20.10 -11 -4 11 343.87 20.90 -11 -4 11 340.07 20.30 11 4 -11 348.77 19.60 -11 4 11 353.66 21.00 -11 4 11 330.17 20.40 -11 4 11 315.47 20.30 -11 4 11 304.17 22.20 -11 4 11 336.47 23.20 11 -4 -13 5.10 3.80 11 -4 -13 3.50 4.80 -11 -4 13 -0.70 3.30 -11 -4 13 5.30 3.70 -11 -4 13 2.80 3.00 -11 -4 13 6.40 3.40 11 -4 -13 3.80 3.20 -11 4 13 -1.20 2.90 -11 4 13 6.90 5.30 11 4 -13 -0.20 3.00 -11 4 13 4.00 3.40 -11 4 13 7.40 6.90 -11 4 13 3.50 4.30 -11 -4 15 32.40 6.80 -11 -4 15 15.50 4.60 -11 -4 15 27.70 7.40 11 -4 -15 26.70 5.40 -11 -4 15 30.00 6.10 -11 -4 15 24.10 6.10 11 -4 -15 28.30 7.20 11 4 -15 22.90 5.70 -11 4 15 15.10 6.10 -11 4 15 23.30 4.50 -11 4 15 24.50 5.60 -11 -4 17 0.70 4.00 11 -4 -17 -3.60 4.00 -11 -4 17 2.20 4.10 -11 -4 17 -5.40 3.30 11 -4 -17 0.90 5.60 -11 -4 17 -4.70 3.20 11 -4 -17 -0.90 3.20 -11 4 17 1.20 3.40 -11 4 17 1.50 3.50 11 4 -17 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-11 5 -10 1.90 3.30 -11 5 -10 1.30 3.50 11 5 10 0.30 4.80 -11 5 -10 -0.40 5.90 -11 5 -10 -5.10 8.10 11 -5 8 100.79 9.00 11 -5 8 92.99 8.20 11 -5 8 90.49 10.50 -11 -5 -8 92.19 10.80 -11 5 -8 93.09 11.50 -11 5 -8 93.09 10.10 -11 5 -8 90.29 9.20 11 5 8 81.99 12.40 -11 5 -8 82.29 8.00 -11 5 -8 74.49 13.90 -11 -5 -6 86.79 10.50 11 -5 6 79.59 8.70 11 -5 6 91.19 7.80 11 -5 6 58.69 15.10 -11 5 -6 83.79 9.40 -11 5 -6 88.19 10.00 11 5 6 97.49 12.00 -11 5 -6 89.79 13.60 -11 5 -6 74.49 7.90 -11 5 -6 86.99 11.10 -11 -5 -4 2.10 4.30 11 -5 4 6.80 3.00 11 -5 4 2.70 5.20 11 -5 4 -4.20 3.20 11 -5 4 2.40 3.60 -11 5 -4 10.10 6.50 -11 5 -4 -1.70 3.20 -11 5 -4 0.60 3.00 -11 5 -4 0.40 5.30 -11 -5 -2 46.40 8.20 11 -5 2 25.80 6.10 11 -5 2 36.40 5.80 11 -5 2 48.30 6.30 11 -5 2 33.60 6.70 -11 5 -2 39.60 6.60 -11 5 -2 22.70 6.20 -11 5 -2 39.10 6.20 -11 5 -2 23.90 7.60 11 -5 0 -1.80 3.00 11 -5 0 2.60 3.30 -11 -5 0 8.20 4.10 11 -5 0 0.30 3.10 -11 5 0 2.30 3.00 -11 5 0 1.00 5.30 -11 5 0 0.60 5.70 -11 5 0 -0.10 3.10 -11 -5 2 4.20 3.10 11 -5 -2 0.70 3.10 -11 -5 2 0.80 3.80 11 -5 -2 -1.60 3.50 11 -5 -2 3.20 2.80 -11 5 2 2.40 5.80 -11 5 2 -0.80 3.00 -11 5 2 -0.40 5.90 -11 5 2 0.20 2.80 -11 -5 4 5.80 4.00 11 -5 -4 2.50 3.20 -11 -5 4 5.70 3.40 11 -5 -4 6.80 3.20 11 -5 -4 5.50 4.20 -11 5 4 3.40 3.10 -11 5 4 1.70 6.20 -11 5 4 7.20 3.80 -11 5 4 16.40 6.90 -11 -5 6 8.50 4.10 -11 -5 6 5.40 3.60 11 -5 -6 2.40 3.40 11 -5 -6 6.20 3.20 -11 5 6 8.70 3.50 -11 5 6 6.20 3.10 -11 5 6 -3.90 5.80 -11 5 6 -2.80 6.50 -11 5 6 9.10 3.70 -11 -5 8 84.89 9.30 11 -5 -8 83.19 7.90 11 -5 -8 80.89 7.70 -11 -5 8 89.79 11.40 -11 5 8 76.29 13.40 -11 5 8 69.99 9.90 -11 5 8 68.79 11.90 -11 5 8 61.49 7.60 -11 5 8 86.99 9.00 11 -5 -10 396.96 21.70 -11 -5 10 404.16 23.10 11 -5 -10 390.66 21.70 -11 -5 10 379.76 22.30 -11 5 10 295.07 24.20 -11 5 10 381.36 22.00 -11 5 10 378.96 22.40 -11 5 10 321.97 24.60 -11 5 10 300.57 21.50 -11 -5 12 3.60 3.80 11 -5 -12 1.20 3.00 11 -5 -12 6.90 4.20 -11 -5 12 2.30 3.60 11 5 -12 -4.00 3.50 -11 5 12 1.20 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2.50 3.10 12 -4 -4 5.10 3.30 -12 4 4 1.20 3.10 -12 4 4 2.50 2.90 -12 4 4 4.30 5.80 -12 4 4 6.30 5.20 12 -4 -6 21.60 5.10 12 -4 -6 16.40 3.70 -12 -4 6 25.80 5.90 -12 -4 6 17.20 3.80 -12 -4 6 13.70 4.00 -12 4 6 15.20 3.60 -12 4 6 9.80 5.90 -12 4 6 9.00 3.70 -12 4 6 16.80 5.90 -12 -4 8 119.39 10.30 -12 -4 8 115.89 10.10 -12 -4 8 124.39 10.40 12 -4 -8 144.99 9.70 12 -4 -8 125.59 9.00 -12 4 8 134.69 10.60 12 4 -8 121.89 8.40 -12 4 8 106.49 9.30 -12 4 8 111.29 12.70 -12 4 8 138.49 13.20 -12 4 8 129.19 9.70 -12 -4 10 100.49 8.50 -12 -4 10 111.09 10.20 -12 -4 10 121.49 9.80 12 -4 -10 113.89 8.70 12 -4 -10 104.19 8.30 -12 -4 10 107.69 8.70 -12 -4 10 100.89 9.70 12 -4 -10 101.89 10.20 -12 4 10 85.89 13.20 12 4 -10 105.59 7.70 -12 4 10 103.29 8.70 -12 4 10 84.49 8.80 -12 4 10 86.29 12.00 -12 4 10 86.39 9.40 12 -4 -12 4.10 4.70 -12 -4 12 2.60 3.10 12 -4 -12 7.20 3.30 -12 -4 12 3.00 4.50 -12 -4 12 0.50 2.90 -12 -4 12 7.60 3.80 12 -4 -12 4.50 3.70 -12 4 12 -7.10 5.20 -12 4 12 13.00 7.30 -12 4 12 8.10 3.70 -12 4 12 7.90 4.20 12 4 -12 2.60 2.90 -12 4 12 7.60 3.20 -12 -4 14 80.69 9.40 -12 -4 14 86.89 8.70 -12 -4 14 92.89 8.60 12 -4 -14 90.49 9.20 12 -4 -14 112.79 9.80 12 -4 -14 108.59 8.10 -12 -4 14 89.19 9.60 -12 4 14 85.99 10.00 -12 4 14 86.19 14.10 -12 4 14 101.59 8.50 12 4 -14 76.89 7.90 -12 -4 16 1.50 3.40 -12 -4 16 0.20 3.30 12 -4 -16 -1.00 5.10 12 -4 -16 -2.60 4.10 12 -4 -16 -1.90 3.00 -12 -4 16 5.00 4.40 -12 -4 16 3.80 4.00 -12 4 16 -2.20 4.50 -12 4 16 3.20 3.40 -12 4 16 -1.90 5.40 -12 -4 18 1.00 4.60 -12 -4 18 8.00 4.20 -12 -4 18 10.70 4.60 -12 -4 18 5.10 3.90 12 -4 -18 7.40 4.50 12 -4 -18 6.30 3.40 -12 4 18 7.60 4.00 12 4 -18 7.90 3.90 -12 4 18 11.80 3.80 -12 4 18 3.60 7.00 12 -4 -20 6.80 4.50 12 -4 -20 9.80 4.00 -12 -4 20 8.40 4.60 -12 4 20 8.40 4.40 12 4 -20 6.60 4.40 -12 4 20 14.40 4.60 12 -4 -22 8.60 4.50 -12 -4 22 -2.80 4.30 12 -4 -22 3.30 4.00 -12 4 22 2.80 4.90 12 4 -22 -0.30 4.30 -12 4 22 1.40 4.50 12 -4 -24 31.30 6.60 12 -4 -24 21.40 5.00 -12 -4 24 36.90 8.50 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17 1.00 3.30 12 -5 17 7.20 4.70 -12 5 -17 -8.10 6.00 -12 5 -17 5.50 6.50 -12 5 -17 6.80 4.40 -12 5 -17 12.40 12.80 12 5 17 0.40 5.30 -12 5 -15 6.30 6.30 -12 5 -15 -4.80 6.00 -12 5 -15 10.00 11.00 12 5 15 4.50 5.30 -12 5 -15 5.70 4.10 12 -5 13 -1.30 2.90 12 -5 13 -2.00 3.90 -12 -5 -13 1.10 6.30 12 5 13 -9.00 5.00 -12 5 -13 0.90 3.30 -12 5 -13 2.70 9.80 -12 5 -13 -0.20 5.80 -12 5 -13 0.10 3.70 -12 5 -13 2.60 5.60 -12 -5 -11 50.59 10.60 12 -5 11 51.59 6.40 12 -5 11 58.19 7.80 -12 5 -11 56.89 9.80 12 5 11 37.20 9.10 -12 5 -11 53.69 8.20 -12 5 -11 46.30 6.50 -12 5 -11 39.60 10.50 -12 5 -11 46.40 10.40 12 -5 9 0.70 3.40 12 -5 9 -2.10 3.50 -12 -5 -9 -2.20 4.90 12 -5 9 -0.40 2.70 -12 5 -9 -4.10 6.00 -12 5 -9 -2.60 5.30 -12 5 -9 -10.60 7.80 -12 5 -9 -1.10 3.50 -12 5 -9 -3.80 4.90 12 5 9 3.10 4.70 -12 -5 -7 235.28 17.50 12 -5 7 265.17 16.50 12 -5 7 209.38 15.90 12 -5 7 253.17 15.50 -12 5 -7 243.88 17.00 -12 5 -7 255.67 18.30 12 5 7 252.07 18.80 -12 5 -7 231.18 21.40 -12 5 -7 253.97 17.50 -12 5 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14.20 9.70 14 -6 2 3.80 4.50 14 -6 2 1.70 3.20 -14 6 -2 -1.20 3.20 -14 6 -2 -4.80 9.00 -14 6 -2 2.30 4.10 -14 -6 0 -2.80 4.90 14 -6 0 4.50 3.30 14 -6 0 -5.30 9.30 14 -6 0 10.40 3.90 -14 6 0 -1.60 4.20 -14 6 0 -0.90 3.40 -14 6 0 9.10 8.70 14 -6 -2 -1.00 3.40 14 -6 -2 4.10 3.20 14 -6 -2 -0.80 7.90 -14 6 2 3.00 8.40 -14 6 2 1.80 3.40 -14 6 2 -1.50 4.20 -14 -6 4 153.18 14.40 14 -6 -4 187.18 11.80 14 -6 -4 158.98 12.00 -14 6 4 169.48 12.50 -14 6 4 164.18 13.80 -14 6 4 142.79 17.70 -14 -6 6 21.60 5.40 14 -6 -6 12.60 3.90 14 -6 -6 17.30 3.80 -14 6 6 0.30 8.30 -14 6 6 18.00 5.40 -14 6 6 14.30 4.20 14 -6 -8 139.89 10.70 14 -6 -8 158.48 10.70 14 -6 -8 120.59 11.50 -14 -6 8 138.49 12.80 -14 6 8 152.08 12.70 -14 6 8 135.89 11.50 14 -6 -10 42.40 7.90 14 -6 -10 40.10 7.00 14 -6 -10 48.90 6.50 -14 -6 10 48.00 9.30 -14 6 10 41.50 7.10 -14 6 10 47.30 10.10 14 -6 -12 40.80 7.40 -14 -6 12 39.70 9.70 14 -6 -12 31.80 7.30 14 -6 -12 51.69 6.50 -14 6 12 51.19 7.30 -14 6 12 36.70 10.80 14 -6 -14 14.30 4.90 14 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167.38 15.70 -26 0 0 22.40 8.20 -26 0 0 22.10 9.70 -26 0 2 7.70 8.00 -26 0 2 -1.00 8.10 -26 0 4 -8.50 9.20 -26 0 4 -4.50 5.70 -26 0 6 22.80 11.10 -26 0 6 38.80 9.10 26 0 -6 34.90 7.90 -26 0 6 38.50 14.50 26 0 -8 -9.60 6.70 -26 0 8 -3.70 5.60 -26 0 8 8.40 8.10 -26 0 8 -1.50 4.50 26 0 -10 2.90 7.10 -26 0 10 -1.70 6.20 -26 0 10 3.80 6.40 -26 0 10 20.60 8.60 -26 0 10 8.00 5.30 -26 0 12 0.10 8.20 -26 0 12 -5.50 4.80 -26 0 12 1.20 5.80 -26 0 12 5.00 6.20 -26 0 12 9.00 6.10 -26 0 14 2.80 5.30 26 0 -14 11.30 5.30 -26 0 14 3.90 6.20 -26 0 14 2.10 6.10 -26 0 14 6.40 5.80 26 0 -16 7.70 5.70 -26 0 16 7.50 5.80 -26 0 16 9.00 6.60 -26 -1 -11 2.90 9.70 26 -1 11 -2.10 7.40 -26 1 -11 10.60 13.50 26 1 11 14.30 10.10 -26 1 -11 5.30 8.20 26 -1 9 12.20 7.60 -26 -1 -9 25.20 9.30 -26 1 -9 12.10 8.40 -26 1 -9 11.30 7.40 -26 -1 -7 52.89 14.10 26 -1 7 64.99 12.70 -26 1 -7 78.99 13.70 -26 -1 -5 57.39 12.40 26 -1 5 30.10 7.60 -26 -1 -5 30.50 7.40 -26 1 -5 58.19 11.00 -26 1 -5 48.30 12.80 26 -1 3 -5.70 6.30 -26 -1 -3 -6.30 7.40 -26 1 -3 15.20 7.70 -26 1 -3 -5.90 5.70 -26 -1 -1 0.60 6.00 26 -1 1 3.20 6.20 -26 -1 -1 -1.00 7.80 -26 1 -1 3.00 7.00 -26 1 -1 14.60 11.70 26 -1 -1 -10.50 6.40 -26 -1 1 -5.60 9.60 -26 -1 1 -2.40 6.20 -26 -1 1 -0.70 6.70 -26 1 1 3.80 5.10 26 -1 -3 2.20 6.60 -26 -1 3 9.80 11.20 -26 -1 3 1.40 5.50 -26 -1 3 2.50 6.60 -26 1 3 5.20 5.00 -26 -1 5 5.00 5.00 -26 -1 5 2.30 8.30 -26 -1 5 5.60 6.70 -26 1 5 -0.90 6.10 -26 1 5 -2.10 4.40 -26 -1 7 10.50 5.10 -26 -1 7 -11.60 7.70 26 -1 -7 -0.80 6.20 -26 -1 7 -1.00 5.40 -26 1 7 -1.10 8.00 -26 1 7 11.00 5.70 -26 1 7 8.40 5.20 -26 -1 9 9.60 5.10 -26 -1 9 12.00 6.00 -26 -1 9 5.60 8.00 26 -1 -9 3.90 6.20 -26 1 9 8.60 6.50 -26 1 9 3.10 6.20 -26 1 9 15.70 5.80 -26 1 9 18.10 8.00 -26 1 9 17.80 4.70 -26 -1 11 9.90 5.40 -26 -1 11 13.40 6.30 -26 -1 11 25.70 8.40 -26 -1 11 -0.30 7.40 -26 -1 11 23.70 6.90 26 -1 -11 16.40 6.40 -26 1 11 16.90 5.20 -26 1 11 9.40 6.30 -26 1 11 14.60 6.10 26 1 -11 21.00 6.90 -26 1 11 19.40 6.30 -26 1 11 36.50 8.70 -26 -1 13 4.30 6.40 -26 -1 13 -4.60 8.00 -26 -1 13 16.90 6.00 -26 -1 13 13.40 6.00 26 -1 -13 8.10 6.10 -26 1 13 6.50 5.90 -26 1 13 -6.90 8.00 -26 1 13 -3.60 6.20 -26 1 13 1.10 6.10 -26 1 13 9.10 5.80 26 1 -13 10.80 6.60 -26 -1 15 6.80 6.30 26 -1 -15 8.30 6.00 -26 -1 15 15.50 6.30 -26 1 15 -3.10 5.40 -26 1 15 13.30 8.60 26 1 -15 1.40 6.50 -26 1 15 -2.80 6.40 -26 1 15 -1.20 6.30 -26 1 15 23.80 9.30 26 -2 10 -1.20 6.90 -26 -2 -10 14.80 11.10 26 -2 10 -4.90 6.00 -26 2 -10 8.70 7.30 -26 2 -10 3.10 8.80 26 -2 8 -3.20 6.80 -26 -2 -8 11.90 10.30 26 -2 8 -1.20 6.10 -26 2 -8 10.60 8.30 -26 2 -8 1.80 6.50 -26 -2 -6 -6.10 9.50 26 -2 6 -8.50 5.70 26 -2 6 3.60 7.00 -26 2 -6 -8.80 7.60 -26 2 -6 -0.60 6.10 26 -2 4 6.70 5.60 -26 -2 -4 7.00 9.40 -26 2 -4 7.60 8.00 -26 2 -4 -5.30 5.40 26 -2 2 4.30 5.60 -26 -2 -2 -5.40 8.50 -26 2 -2 3.30 5.30 -26 2 -2 11.50 8.00 -26 -2 0 7.70 8.50 -26 -2 0 3.80 6.30 26 -2 0 5.20 6.10 -26 2 0 16.40 8.70 -26 2 0 4.60 5.60 -26 2 0 7.50 5.60 -26 -2 2 15.00 9.40 -26 -2 2 -3.30 5.80 26 -2 -2 12.60 5.80 -26 -2 2 8.20 5.80 -26 2 2 5.40 9.00 -26 2 2 2.00 5.40 -26 2 2 -0.30 5.40 -26 -2 4 27.50 9.20 -26 -2 4 14.50 6.20 -26 2 4 21.70 8.60 -26 2 4 3.60 5.20 -26 -2 6 -4.50 8.40 -26 -2 6 3.60 5.10 26 -2 -6 4.90 5.80 -26 -2 6 -9.70 5.50 26 -2 -6 -5.30 5.40 -26 2 6 -2.00 8.50 -26 2 6 -7.80 5.70 -26 2 6 -2.70 4.80 26 -2 -8 11.60 6.10 -26 -2 8 23.60 5.40 -26 -2 8 24.30 8.90 26 -2 -8 28.50 7.20 -26 -2 8 18.40 6.20 -26 2 8 19.50 6.40 -26 2 8 26.20 9.70 -26 2 8 20.60 5.70 -26 -2 10 6.50 6.00 -26 -2 10 7.10 5.30 26 -2 -10 -7.00 5.90 -26 -2 10 -7.20 8.20 -26 2 10 -0.80 5.80 -26 2 10 3.40 5.30 -26 2 10 4.50 9.00 26 -2 -12 -8.70 5.80 -26 -2 12 0.60 5.00 -26 -2 12 5.70 6.00 -26 2 12 -2.90 5.20 -26 2 12 -11.90 8.80 -26 2 12 2.30 6.00 -26 -2 14 9.30 5.80 26 -2 -14 10.40 6.00 -26 2 14 6.80 6.60 -26 2 14 26.40 8.90 -26 2 14 12.50 6.40 26 -3 7 5.60 5.60 26 -3 7 18.70 6.50 -26 3 -7 -6.10 9.20 -26 3 -7 11.20 6.70 26 -3 5 -6.60 6.90 26 -3 5 -4.20 5.30 -26 3 -5 8.30 8.90 -26 3 -5 3.60 6.00 26 -3 3 6.60 5.30 -26 3 -3 1.90 8.60 -26 3 -3 3.50 5.90 26 -3 1 4.20 5.60 -26 3 -1 -9.80 8.20 -26 3 -1 3.50 5.40 26 -3 -1 0.60 5.30 -26 3 1 -12.40 8.40 -26 3 1 -6.80 6.00 -26 3 1 2.80 5.50 -26 -3 3 3.10 8.30 -26 -3 3 8.50 7.50 26 -3 -3 3.00 5.30 -26 3 3 14.10 5.90 -26 3 3 1.00 5.80 -26 3 3 25.90 9.10 -26 -3 5 1.70 11.10 -26 -3 5 6.10 5.30 -26 -3 5 11.90 6.80 26 -3 -5 2.50 5.10 -26 3 5 -1.70 5.60 -26 3 5 -4.40 5.30 -26 3 5 -2.60 9.20 -26 -3 7 12.50 6.60 26 -3 -7 4.10 6.00 -26 -3 7 21.60 10.70 26 -3 -7 11.00 5.30 -26 -3 7 2.50 5.30 -26 3 7 11.20 9.50 -26 3 7 6.80 5.50 -26 -3 9 18.70 5.30 26 -3 -9 12.50 6.00 -26 -3 9 8.10 6.80 26 -3 -9 26.80 5.80 -26 3 9 18.00 5.70 -26 3 9 8.20 9.90 -26 3 9 12.70 6.20 -26 -3 11 1.20 5.50 26 -3 -11 0.70 5.80 -26 -3 11 6.70 6.40 26 -3 -11 -9.50 7.90 -26 3 11 -3.00 6.10 -26 3 11 3.90 9.30 -26 3 11 -5.60 5.50 -27 0 -9 -3.70 8.50 -27 0 -7 -11.60 7.80 -27 0 -7 -0.20 11.00 27 0 7 9.50 8.00 27 0 5 -6.70 8.00 -27 0 -5 -1.50 6.80 27 0 3 -8.80 12.20 -27 0 -3 -1.60 6.20 -27 0 -1 -0.10 7.90 -27 0 -1 10.80 6.00 -27 0 1 -3.40 5.10 -27 0 1 3.00 7.80 -27 0 3 -6.80 5.60 27 0 -3 2.50 8.00 -27 0 3 -9.40 5.20 -27 0 3 16.70 8.60 -27 0 5 0.40 8.20 -27 0 5 -6.90 5.20 -27 0 5 3.80 5.30 -27 0 7 4.30 5.50 -27 0 7 5.40 6.00 -27 0 7 -13.50 7.70 -27 0 9 15.70 6.10 -27 0 9 27.60 8.90 -27 0 11 -3.90 4.90 -27 0 11 7.20 6.40 -27 0 13 6.60 5.70 27 -1 8 25.40 7.80 -27 1 -8 41.70 8.20 -27 1 -8 30.70 9.40 27 -1 6 41.10 8.60 -27 1 -6 46.40 9.40 27 -1 4 -5.40 6.60 -27 -1 -4 6.40 8.60 -27 1 -4 12.70 6.80 -27 1 -4 -10.50 7.40 -27 -1 -2 0.00 6.60 27 -1 2 2.10 6.50 -27 -1 -2 13.90 8.80 -27 1 -2 -4.40 6.10 -27 1 -2 13.00 7.70 27 -1 0 4.60 7.00 -27 -1 0 -4.10 7.70 -27 -1 0 -0.80 6.50 -27 1 0 -6.80 8.10 -27 1 0 18.10 6.20 -27 -1 2 0.80 8.00 27 -1 -2 -0.80 11.40 -27 1 2 -2.60 8.00 -27 1 2 -2.80 5.90 -27 1 2 0.30 5.60 -27 -1 4 -5.70 5.60 -27 -1 4 -7.70 6.30 -27 -1 4 12.60 8.40 -27 1 4 -2.50 5.30 -27 1 4 -7.80 7.90 -27 1 4 -0.30 5.50 -27 -1 6 -10.70 8.00 -27 -1 6 -0.10 5.10 27 -1 -6 7.30 6.70 -27 -1 6 6.90 5.80 -27 1 6 4.40 5.30 -27 1 6 -1.00 8.20 -27 1 6 -3.70 5.40 -27 -1 8 -0.40 5.50 27 -1 -8 14.90 6.90 -27 -1 8 5.30 5.30 -27 -1 8 0.50 8.10 -27 1 8 1.80 5.70 -27 1 8 2.20 5.70 -27 1 8 -3.80 7.50 -27 -1 10 4.70 8.60 -27 -1 10 23.90 6.60 -27 -1 10 11.50 5.40 27 -1 -10 11.80 6.60 -27 1 10 15.90 6.30 -27 1 10 19.50 5.20 -27 1 10 4.50 9.20 -27 -1 12 3.00 6.00 27 -1 -12 -3.30 6.30 -27 -1 12 11.10 6.40 -27 -1 12 -5.50 7.90 -27 1 12 13.80 9.00 -27 1 12 -1.90 6.00 -27 1 12 2.90 6.10 -27 -2 -5 31.80 11.30 27 -2 5 20.20 6.50 -27 2 -5 27.50 9.10 -27 2 -5 9.60 7.30 27 -2 3 -8.50 6.20 -27 -2 -3 18.10 10.40 -27 2 -3 5.00 6.20 -27 -2 -1 9.30 9.90 27 -2 1 3.60 6.20 -27 2 -1 -0.70 5.80 -27 2 -1 15.70 8.80 27 -2 -1 10.70 6.40 -27 -2 1 2.00 7.10 -27 -2 1 3.00 9.60 -27 2 1 -4.10 9.00 -27 2 1 18.10 6.30 -27 -2 3 0.40 6.70 -27 -2 3 -5.80 9.40 27 -2 -3 -3.70 5.90 -27 2 3 -2.50 8.80 -27 2 3 3.70 6.10 -27 2 3 2.10 5.70 -27 -2 5 6.10 6.80 27 -2 -5 5.20 6.30 -27 -2 5 1.00 5.60 -27 -2 5 -10.90 9.20 27 -2 -5 -4.40 6.20 -27 2 5 4.90 5.80 -27 2 5 -2.60 8.90 -27 2 5 0.50 6.00 -27 -2 7 11.80 6.30 -27 -2 7 8.90 5.50 27 -2 -7 7.80 6.60 -27 -2 7 12.70 9.50 -27 2 7 9.70 5.70 -27 2 7 9.00 5.20 -27 2 7 10.60 9.10 27 -2 -9 8.20 6.50 -27 -2 9 -1.20 9.20 -27 -2 9 3.50 5.40 -27 -2 9 0.80 6.50 -27 2 9 -4.70 5.90 -27 2 9 -3.40 5.00 -28 0 -2 12.80 8.10 -28 0 -2 -2.60 6.70 -28 0 0 12.30 6.70 -28 0 0 -2.10 8.30 -28 0 2 16.20 8.40 -28 0 2 7.30 6.40 -28 0 4 3.70 8.70 -28 0 4 18.60 6.80 -28 0 4 10.90 5.90 -28 0 6 17.60 8.70 -28 0 6 14.20 6.40 -28 0 6 28.20 6.70 -28 -1 -1 3.60 8.10 -28 -1 -1 15.60 9.10 -28 1 -1 16.90 8.80 -28 1 -1 13.10 6.80 -28 -1 1 -5.40 9.10 -28 -1 1 13.70 7.30 -28 1 1 8.90 6.10 -28 1 1 11.80 8.60 -28 -1 3 10.70 8.80 -28 -1 3 17.10 6.80 28 -1 -3 -6.70 7.10 -28 1 3 6.90 5.70 -28 1 3 -3.50 8.50 -28 -1 5 0.30 6.30 -28 -1 5 -2.00 9.20 -28 -1 5 9.80 6.20 -28 1 5 5.40 6.00 -28 1 5 5.00 6.00 0 0 0 0.00 0.00 _computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)' ; _shelx_hkl_checksum 15380 _olex2_date_sample_data_collection 2018-05-02 _olex2_date_sample_submission 2018-05-01 _olex2_exptl_crystal_mounting_method 'mouted on a cryoloop' _olex2_submission_original_sample_id 'SLB-2-51 ' _olex2_submission_special_instructions 'No special instructions were received'