#============================================================================== data_global loop_ _journal_name_full 'European Journal of Chemistry' _journal_coden_ASTM EJCUA9 _journal_volume 11 _journal_issue 4 _journal_year 2020 _journal_page_first 261 _journal_page_last 275 #============================================================================== data_3 _audit_creation_method 'SHELXL-2018/3' _shelx_SHELXL_version_number '2018/3' _chemical_name_systematic ? _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C15 H17 Cl O4 S' _chemical_formula_sum 'C15 H17 Cl O4 S' _chemical_formula_weight 328.80 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'C' 'C' 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'H' 'H' 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Cl' 'Cl' 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'O' 'O' 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'S' 'S' 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _space_group_crystal_system monoclinic _space_group_IT_number 14 _space_group_name_H-M_alt 'P 21/c' _space_group_name_Hall '-P 2ybc' _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' _cell_length_a 8.8687(3) _cell_length_b 10.5537(4) _cell_length_c 16.6862(7) _cell_angle_alpha 90 _cell_angle_beta 89.807(3) _cell_angle_gamma 90 _cell_volume 1561.78(10) _cell_formula_units_Z 4 _cell_measurement_temperature 290 _cell_measurement_reflns_used 3570 _cell_measurement_theta_min 3.358 _cell_measurement_theta_max 27.481 _exptl_crystal_description block _exptl_crystal_colour colourless _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_density_diffrn 1.398 _exptl_crystal_F_000 688 _exptl_transmission_factor_min ? _exptl_transmission_factor_max ? _exptl_crystal_size_max 0.35 _exptl_crystal_size_mid 0.33 _exptl_crystal_size_min 0.30 _exptl_absorpt_coefficient_mu 0.390 _shelx_estimated_absorpt_T_min ? _shelx_estimated_absorpt_T_max ? _exptl_absorpt_correction_type none _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? _exptl_absorpt_process_details ? _exptl_absorpt_special_details ? _diffrn_ambient_temperature 290 _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_source graphite _diffrn_measurement_device_type Bruker _diffrn_measurement_method SAINT _diffrn_standards_number 3570 _diffrn_standards_interval_count 200 _diffrn_standards_decay_% 0 _diffrn_detector_area_resol_mean ? _diffrn_reflns_number 13623 _diffrn_reflns_av_unetI/netI 0.0512 _diffrn_reflns_av_R_equivalents 0.0467 _diffrn_reflns_limit_h_min -11 _diffrn_reflns_limit_h_max 11 _diffrn_reflns_limit_k_min -12 _diffrn_reflns_limit_k_max 13 _diffrn_reflns_limit_l_min -21 _diffrn_reflns_limit_l_max 18 _diffrn_reflns_theta_min 3.358 _diffrn_reflns_theta_max 27.481 _diffrn_reflns_theta_full 25.242 _diffrn_measured_fraction_theta_max 0.998 _diffrn_measured_fraction_theta_full 0.997 _diffrn_reflns_Laue_measured_fraction_max 0.998 _diffrn_reflns_Laue_measured_fraction_full 0.997 _diffrn_reflns_point_group_measured_fraction_max 0.998 _diffrn_reflns_point_group_measured_fraction_full 0.997 _reflns_number_total 3570 _reflns_number_gt 2783 _reflns_threshold_expression 'I > 2\s(I)' _reflns_Friedel_coverage 0.000 _reflns_Friedel_fraction_max . _reflns_Friedel_fraction_full . _reflns_special_details ; Reflections were merged by SHELXL according to the crystal class for the calculation of statistics and refinement. _reflns_Friedel_fraction is defined as the number of unique Friedel pairs measured divided by the number that would be possible theoretically, ignoring centric projections and systematic absences. ; _computing_data_collection 'APEX (Bruker, 2006)' _computing_cell_refinement 'SAINT (Bruker, 2006)' _computing_data_reduction 'SAINT (Bruker, 2006)' _computing_structure_solution 'SHELXT 2014/4 (Sheldrick, 2015)' _computing_structure_refinement 'SHELXL-2018/3 (Sheldrick, 2015)' _computing_molecular_graphics 'PLATON(Spek, 2009)' _computing_publication_material 'PLATON(Spek, 2009)' _refine_special_details ? _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0331P)^2^+0.5314P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary ? _atom_sites_solution_secondary ? _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment constr _refine_ls_extinction_method none _refine_ls_extinction_coef . _refine_ls_number_reflns 3570 _refine_ls_number_parameters 193 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0612 _refine_ls_R_factor_gt 0.0452 _refine_ls_wR_factor_ref 0.1019 _refine_ls_wR_factor_gt 0.0906 _refine_ls_goodness_of_fit_ref 1.041 _refine_ls_restrained_S_all 1.041 _refine_ls_shift/su_max 0.012 _refine_ls_shift/su_mean 0.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group Cl1 Cl 0.93154(6) 0.21965(5) 0.08049(3) 0.03933(16) Uani 1 1 d . . . . . S1 S 0.58358(6) 0.39621(5) 0.20135(3) 0.03138(15) Uani 1 1 d . . . . . O1 O 0.75904(14) 0.35522(13) 0.20165(9) 0.0319(3) Uani 1 1 d . . . . . O2 O 1.02948(16) -0.02011(14) 0.15375(9) 0.0349(4) Uani 1 1 d . . . . . O3 O 0.51820(16) 0.37007(15) 0.27765(9) 0.0399(4) Uani 1 1 d . . . . . O4 O 0.59119(17) 0.52320(13) 0.17253(10) 0.0434(4) Uani 1 1 d . . . . . C1 C 0.7731(2) 0.19581(19) 0.31101(13) 0.0294(5) Uani 1 1 d . . . . . H1A H 0.670492 0.164475 0.314829 0.035 Uiso 1 1 calc R U . . . H1B H 0.781173 0.269606 0.345379 0.035 Uiso 1 1 calc R U . . . C2 C 0.8816(2) 0.09308(19) 0.34100(12) 0.0273(4) Uani 1 1 d . . . . . C3 C 0.8902(2) -0.01054(19) 0.27679(13) 0.0287(5) Uani 1 1 d . . . . . H3A H 0.957469 -0.077010 0.294956 0.034 Uiso 1 1 calc R U . . . H3B H 0.790959 -0.047440 0.269830 0.034 Uiso 1 1 calc R U . . . C4 C 0.9455(2) 0.03882(19) 0.19748(13) 0.0273(4) Uani 1 1 d . . . . . C5 C 0.8861(2) 0.16547(19) 0.17492(12) 0.0276(4) Uani 1 1 d . . . . . C6 C 0.8046(2) 0.23430(18) 0.22629(13) 0.0274(5) Uani 1 1 d . . . . . C7 C 1.0390(2) 0.1486(2) 0.35686(13) 0.0349(5) Uani 1 1 d . . . . . H7A H 1.104763 0.082804 0.375599 0.052 Uiso 1 1 calc R U . . . H7B H 1.031638 0.213892 0.396749 0.052 Uiso 1 1 calc R U . . . H7C H 1.078812 0.183797 0.308145 0.052 Uiso 1 1 calc R U . . . C8 C 0.8202(3) 0.0368(2) 0.41906(13) 0.0384(5) Uani 1 1 d . . . . . H8A H 0.722571 0.000575 0.409605 0.058 Uiso 1 1 calc R U . . . H8B H 0.811879 0.102385 0.458710 0.058 Uiso 1 1 calc R U . . . H8C H 0.887573 -0.027784 0.437839 0.058 Uiso 1 1 calc R U . . . C9 C 0.5035(2) 0.29757(18) 0.12890(12) 0.0260(4) Uani 1 1 d . . . . . C10 C 0.4184(2) 0.1943(2) 0.15262(13) 0.0323(5) Uani 1 1 d . . . . . H10 H 0.406286 0.174858 0.206611 0.039 Uiso 1 1 calc R U . . . C11 C 0.3518(2) 0.1208(2) 0.09398(15) 0.0390(6) Uani 1 1 d . . . . . H11 H 0.295262 0.050496 0.109074 0.047 Uiso 1 1 calc R U . . . C12 C 0.3673(2) 0.1492(2) 0.01351(14) 0.0368(5) Uani 1 1 d . . . . . C13 C 0.4535(2) 0.2532(2) -0.00854(14) 0.0400(6) Uani 1 1 d . . . . . H13 H 0.465500 0.272952 -0.062505 0.048 Uiso 1 1 calc R U . . . C14 C 0.5221(2) 0.3280(2) 0.04917(14) 0.0370(5) Uani 1 1 d . . . . . H14 H 0.579789 0.397721 0.034255 0.044 Uiso 1 1 calc R U . . . C15 C 0.2911(3) 0.0686(3) -0.04872(17) 0.0567(7) Uani 1 1 d . . . . . H15A H 0.338045 -0.013348 -0.050367 0.085 Uiso 1 1 calc R U . . . H15B H 0.300329 0.108429 -0.100224 0.085 Uiso 1 1 calc R U . . . H15C H 0.186366 0.059249 -0.035288 0.085 Uiso 1 1 calc R U . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Cl1 0.0457(3) 0.0373(3) 0.0350(3) 0.0060(2) -0.0015(2) 0.0017(2) S1 0.0260(3) 0.0266(3) 0.0415(4) -0.0046(2) -0.0068(2) 0.0063(2) O1 0.0225(7) 0.0246(8) 0.0486(10) 0.0016(6) -0.0081(6) 0.0008(6) O2 0.0337(8) 0.0332(9) 0.0379(10) -0.0052(6) -0.0015(7) 0.0072(7) O3 0.0344(8) 0.0512(10) 0.0342(10) -0.0092(7) -0.0022(7) 0.0108(7) O4 0.0392(9) 0.0236(8) 0.0673(13) -0.0026(7) -0.0122(8) 0.0068(7) C1 0.0232(9) 0.0274(11) 0.0376(13) -0.0061(9) -0.0042(9) 0.0001(8) C2 0.0250(10) 0.0264(11) 0.0306(12) -0.0012(8) -0.0046(8) 0.0005(8) C3 0.0272(10) 0.0245(11) 0.0345(13) 0.0002(8) -0.0048(9) 0.0004(8) C4 0.0235(9) 0.0252(11) 0.0332(12) -0.0025(8) -0.0087(8) 0.0002(8) C5 0.0249(10) 0.0278(11) 0.0301(12) 0.0020(8) -0.0058(8) -0.0018(8) C6 0.0201(9) 0.0224(10) 0.0399(13) 0.0005(8) -0.0098(8) -0.0018(8) C7 0.0266(10) 0.0394(13) 0.0386(14) -0.0054(10) -0.0085(9) -0.0005(9) C8 0.0393(12) 0.0399(14) 0.0361(14) -0.0005(10) -0.0019(10) -0.0017(10) C9 0.0199(9) 0.0267(11) 0.0315(12) 0.0018(8) -0.0037(8) 0.0037(8) C10 0.0319(11) 0.0354(12) 0.0297(13) 0.0053(9) -0.0037(9) -0.0023(9) C11 0.0336(12) 0.0352(13) 0.0483(16) 0.0015(10) -0.0047(10) -0.0076(10) C12 0.0248(10) 0.0452(14) 0.0404(14) -0.0083(10) -0.0085(9) 0.0062(10) C13 0.0392(12) 0.0523(15) 0.0285(14) 0.0045(10) 0.0000(10) 0.0067(11) C14 0.0348(12) 0.0362(13) 0.0401(15) 0.0076(10) 0.0015(10) 0.0006(10) C15 0.0458(14) 0.0675(19) 0.0568(18) -0.0245(14) -0.0175(13) 0.0044(13) _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 Cl1 C5 1.723(2) . ? S1 O3 1.4241(16) . ? S1 O4 1.4254(16) . ? S1 O1 1.6152(14) . ? S1 C9 1.748(2) . ? O1 C6 1.401(2) . ? O2 C4 1.213(2) . ? C1 C6 1.496(3) . ? C1 C2 1.535(3) . ? C1 H1A 0.9700 . ? C1 H1B 0.9700 . ? C2 C8 1.530(3) . ? C2 C3 1.533(3) . ? C2 C7 1.538(3) . ? C3 C4 1.503(3) . ? C3 H3A 0.9700 . ? C3 H3B 0.9700 . ? C4 C5 1.486(3) . ? C5 C6 1.335(3) . ? C7 H7A 0.9600 . ? C7 H7B 0.9600 . ? C7 H7C 0.9600 . ? C8 H8A 0.9600 . ? C8 H8B 0.9600 . ? C8 H8C 0.9600 . ? C9 C14 1.378(3) . ? C9 C10 1.382(3) . ? C10 C11 1.383(3) . ? C10 H10 0.9300 . ? C11 C12 1.382(3) . ? C11 H11 0.9300 . ? C12 C13 1.387(3) . ? C12 C15 1.504(3) . ? C13 C14 1.387(3) . ? C13 H13 0.9300 . ? C14 H14 0.9300 . ? C15 H15A 0.9600 . ? C15 H15B 0.9600 . ? C15 H15C 0.9600 . ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag O3 S1 O4 120.16(10) . . ? O3 S1 O1 109.56(9) . . ? O4 S1 O1 102.03(8) . . ? O3 S1 C9 109.74(9) . . ? O4 S1 C9 110.21(10) . . ? O1 S1 C9 103.66(8) . . ? C6 O1 S1 121.58(12) . . ? C6 C1 C2 112.63(16) . . ? C6 C1 H1A 109.1 . . ? C2 C1 H1A 109.1 . . ? C6 C1 H1B 109.1 . . ? C2 C1 H1B 109.1 . . ? H1A C1 H1B 107.8 . . ? C8 C2 C3 109.58(17) . . ? C8 C2 C1 109.27(16) . . ? C3 C2 C1 107.82(16) . . ? C8 C2 C7 108.79(17) . . ? C3 C2 C7 110.42(16) . . ? C1 C2 C7 110.94(17) . . ? C4 C3 C2 112.57(17) . . ? C4 C3 H3A 109.1 . . ? C2 C3 H3A 109.1 . . ? C4 C3 H3B 109.1 . . ? C2 C3 H3B 109.1 . . ? H3A C3 H3B 107.8 . . ? O2 C4 C5 121.77(19) . . ? O2 C4 C3 123.36(18) . . ? C5 C4 C3 114.85(17) . . ? C6 C5 C4 121.24(19) . . ? C6 C5 Cl1 122.10(16) . . ? C4 C5 Cl1 116.64(15) . . ? C5 C6 O1 117.61(19) . . ? C5 C6 C1 123.92(18) . . ? O1 C6 C1 118.14(17) . . ? C2 C7 H7A 109.5 . . ? C2 C7 H7B 109.5 . . ? H7A C7 H7B 109.5 . . ? C2 C7 H7C 109.5 . . ? H7A C7 H7C 109.5 . . ? H7B C7 H7C 109.5 . . ? C2 C8 H8A 109.5 . . ? C2 C8 H8B 109.5 . . ? H8A C8 H8B 109.5 . . ? C2 C8 H8C 109.5 . . ? H8A C8 H8C 109.5 . . ? H8B C8 H8C 109.5 . . ? C14 C9 C10 121.6(2) . . ? C14 C9 S1 118.79(16) . . ? C10 C9 S1 119.60(16) . . ? C11 C10 C9 118.3(2) . . ? C11 C10 H10 120.9 . . ? C9 C10 H10 120.9 . . ? C10 C11 C12 121.7(2) . . ? C10 C11 H11 119.2 . . ? C12 C11 H11 119.2 . . ? C11 C12 C13 118.8(2) . . ? C11 C12 C15 120.3(2) . . ? C13 C12 C15 120.9(2) . . ? C14 C13 C12 120.6(2) . . ? C14 C13 H13 119.7 . . ? C12 C13 H13 119.7 . . ? C9 C14 C13 119.1(2) . . ? C9 C14 H14 120.4 . . ? C13 C14 H14 120.4 . . ? C12 C15 H15A 109.5 . . ? C12 C15 H15B 109.5 . . ? H15A C15 H15B 109.5 . . ? C12 C15 H15C 109.5 . . ? H15A C15 H15C 109.5 . . ? H15B C15 H15C 109.5 . . ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag O3 S1 O1 C6 51.72(17) . . . . ? O4 S1 O1 C6 -179.90(15) . . . . ? C9 S1 O1 C6 -65.36(17) . . . . ? C6 C1 C2 C8 -166.57(17) . . . . ? C6 C1 C2 C3 -47.5(2) . . . . ? C6 C1 C2 C7 73.5(2) . . . . ? C8 C2 C3 C4 178.30(16) . . . . ? C1 C2 C3 C4 59.5(2) . . . . ? C7 C2 C3 C4 -61.9(2) . . . . ? C2 C3 C4 O2 141.62(19) . . . . ? C2 C3 C4 C5 -39.9(2) . . . . ? O2 C4 C5 C6 -174.04(19) . . . . ? C3 C4 C5 C6 7.4(3) . . . . ? O2 C4 C5 Cl1 4.5(3) . . . . ? C3 C4 C5 Cl1 -174.00(14) . . . . ? C4 C5 C6 O1 177.00(16) . . . . ? Cl1 C5 C6 O1 -1.5(3) . . . . ? C4 C5 C6 C1 3.7(3) . . . . ? Cl1 C5 C6 C1 -174.79(15) . . . . ? S1 O1 C6 C5 123.90(17) . . . . ? S1 O1 C6 C1 -62.4(2) . . . . ? C2 C1 C6 C5 17.9(3) . . . . ? C2 C1 C6 O1 -155.34(16) . . . . ? O3 S1 C9 C14 163.90(15) . . . . ? O4 S1 C9 C14 29.40(19) . . . . ? O1 S1 C9 C14 -79.15(17) . . . . ? O3 S1 C9 C10 -13.52(19) . . . . ? O4 S1 C9 C10 -148.03(16) . . . . ? O1 S1 C9 C10 103.43(16) . . . . ? C14 C9 C10 C11 0.3(3) . . . . ? S1 C9 C10 C11 177.61(16) . . . . ? C9 C10 C11 C12 -0.7(3) . . . . ? C10 C11 C12 C13 0.9(3) . . . . ? C10 C11 C12 C15 -178.9(2) . . . . ? C11 C12 C13 C14 -0.5(3) . . . . ? C15 C12 C13 C14 179.3(2) . . . . ? C10 C9 C14 C13 0.1(3) . . . . ? S1 C9 C14 C13 -177.30(16) . . . . ? C12 C13 C14 C9 0.0(3) . . . . ? _refine_diff_density_max 0.294 _refine_diff_density_min -0.328 _refine_diff_density_rms 0.054 _shelx_res_file ; TITL red8 R = 0.04 3.res created by SHELXL-2018/3 at 13:54:22 on 12-Aug-2020 CELL 0.71073 8.8687 10.5537 16.6862 90.000 89.807 90.000 ZERR 4 0.0003 0.0004 0.0007 0.000 0.003 0.000 LATT 1 SYMM - X , 0.50000 + Y , 0.50000 - Z SFAC C H Cl O S UNIT 60 68 4 16 4 TEMP 20 L.S. 5 FMAP 2 PLAN -20 ACTA CONF BOND $H WGHT 0.033100 0.531400 FVAR 5.01381 RESI 0 CL1 3 0.931543 0.219646 0.080488 11.00000 0.04573 0.03728 = 0.03498 0.00603 -0.00148 0.00170 S1 5 0.583577 0.396213 0.201353 11.00000 0.02605 0.02663 = 0.04151 -0.00464 -0.00684 0.00630 O1 4 0.759045 0.355216 0.201652 11.00000 0.02247 0.02457 = 0.04863 0.00165 -0.00808 0.00075 O2 4 1.029482 -0.020113 0.153749 11.00000 0.03372 0.03318 = 0.03793 -0.00523 -0.00154 0.00718 O3 4 0.518196 0.370070 0.277647 11.00000 0.03444 0.05119 = 0.03420 -0.00917 -0.00225 0.01080 O4 4 0.591193 0.523202 0.172528 11.00000 0.03921 0.02363 = 0.06734 -0.00259 -0.01218 0.00681 C1 1 0.773084 0.195812 0.311007 11.00000 0.02325 0.02741 = 0.03762 -0.00611 -0.00421 0.00012 AFIX 23 H1A 2 0.670492 0.164475 0.314829 11.00000 -1.20000 H1B 2 0.781173 0.269606 0.345379 11.00000 -1.20000 AFIX 0 C2 1 0.881583 0.093076 0.341002 11.00000 0.02504 0.02636 = 0.03063 -0.00121 -0.00456 0.00046 C3 1 0.890225 -0.010536 0.276792 11.00000 0.02722 0.02453 = 0.03453 0.00017 -0.00481 0.00044 AFIX 23 H3A 2 0.957469 -0.077010 0.294956 11.00000 -1.20000 H3B 2 0.790959 -0.047440 0.269830 11.00000 -1.20000 AFIX 0 C4 1 0.945453 0.038817 0.197477 11.00000 0.02346 0.02520 = 0.03324 -0.00248 -0.00872 0.00022 C5 1 0.886096 0.165475 0.174917 11.00000 0.02486 0.02783 = 0.03008 0.00195 -0.00577 -0.00181 C6 1 0.804566 0.234303 0.226292 11.00000 0.02007 0.02245 = 0.03986 0.00053 -0.00976 -0.00176 C7 1 1.038983 0.148608 0.356864 11.00000 0.02663 0.03944 = 0.03861 -0.00540 -0.00848 -0.00048 AFIX 137 H7A 2 1.104763 0.082804 0.375599 11.00000 -1.50000 H7B 2 1.031638 0.213892 0.396749 11.00000 -1.50000 H7C 2 1.078812 0.183797 0.308145 11.00000 -1.50000 AFIX 0 C8 1 0.820184 0.036824 0.419058 11.00000 0.03934 0.03990 = 0.03607 -0.00054 -0.00194 -0.00168 AFIX 137 H8A 2 0.722571 0.000575 0.409605 11.00000 -1.50000 H8B 2 0.811879 0.102385 0.458710 11.00000 -1.50000 H8C 2 0.887573 -0.027784 0.437839 11.00000 -1.50000 AFIX 0 C9 1 0.503510 0.297570 0.128901 11.00000 0.01988 0.02673 = 0.03150 0.00179 -0.00368 0.00372 C10 1 0.418432 0.194344 0.152619 11.00000 0.03193 0.03537 = 0.02974 0.00534 -0.00366 -0.00225 AFIX 43 H10 2 0.406286 0.174858 0.206611 11.00000 -1.20000 AFIX 0 C11 1 0.351845 0.120799 0.093979 11.00000 0.03359 0.03524 = 0.04828 0.00151 -0.00471 -0.00757 AFIX 43 H11 2 0.295262 0.050496 0.109074 11.00000 -1.20000 AFIX 0 C12 1 0.367275 0.149153 0.013505 11.00000 0.02481 0.04520 = 0.04044 -0.00830 -0.00847 0.00624 C13 1 0.453522 0.253176 -0.008545 11.00000 0.03920 0.05227 = 0.02846 0.00454 -0.00003 0.00666 AFIX 43 H13 2 0.465500 0.272952 -0.062505 11.00000 -1.20000 AFIX 0 C14 1 0.522072 0.327977 0.049174 11.00000 0.03478 0.03617 = 0.04008 0.00757 0.00155 0.00058 AFIX 43 H14 2 0.579789 0.397721 0.034255 11.00000 -1.20000 AFIX 0 C15 1 0.291117 0.068585 -0.048720 11.00000 0.04579 0.06754 = 0.05680 -0.02446 -0.01755 0.00442 AFIX 137 H15A 2 0.338045 -0.013348 -0.050367 11.00000 -1.50000 H15B 2 0.300329 0.108429 -0.100224 11.00000 -1.50000 H15C 2 0.186366 0.059249 -0.035288 11.00000 -1.50000 AFIX 0 HKLF 4 REM red8 R = 0.04 REM wR2 = 0.1019, GooF = S = 1.041, Restrained GooF = 1.041 for all data REM R1 = 0.0452 for 2783 Fo > 4sig(Fo) and 0.0612 for all 3570 data REM 193 parameters refined using 0 restraints END WGHT 0.0331 0.5320 REM Highest difference peak 0.294, deepest hole -0.328, 1-sigma level 0.054 Q1 1 0.5421 0.3483 0.1595 11.00000 0.05 0.29 Q2 1 0.3173 0.1627 0.0537 11.00000 0.05 0.28 Q3 1 0.8007 0.1687 0.1922 11.00000 0.05 0.24 Q4 1 0.3815 0.0409 -0.0936 11.00000 0.05 0.24 Q5 1 0.3844 0.2272 0.0108 11.00000 0.05 0.23 Q6 1 0.8999 0.1023 0.1862 11.00000 0.05 0.23 Q7 1 0.9264 0.1651 0.0407 11.00000 0.05 0.22 Q8 1 0.3333 0.1123 -0.0139 11.00000 0.05 0.21 Q9 1 0.7821 0.2919 0.2085 11.00000 0.05 0.19 Q10 1 0.8280 0.4563 0.2393 11.00000 0.05 0.19 Q11 1 0.4673 0.3023 0.2962 11.00000 0.05 0.19 Q12 1 0.9576 0.1107 0.3482 11.00000 0.05 0.19 Q13 1 0.5030 0.3895 0.2378 11.00000 0.05 0.19 Q14 1 0.8951 0.0315 0.3097 11.00000 0.05 0.18 Q15 1 0.2224 0.2341 0.0212 11.00000 0.05 0.18 Q16 1 0.5100 0.2742 0.0259 11.00000 0.05 0.18 Q17 1 0.5587 0.2984 0.0966 11.00000 0.05 0.18 Q18 1 0.8215 0.0364 0.1233 11.00000 0.05 0.18 Q19 1 0.6711 0.4826 0.1640 11.00000 0.05 0.18 Q20 1 0.9251 0.1788 0.1381 11.00000 0.05 0.17 ; _shelx_res_checksum 26110 _shelx_hkl_file ; 0 0 3 112.856 84.2705 5 0 0 -3-63.5718 45.2224 5 0 0 -4 7339.34 562.243 5 0 0 4 6736.44 544.815 5 0 0 -5 215.294 117.248 5 0 0 5 121.989 100.799 5 0 0 -6 30481.9 1415.65 5 0 0 6 30150.3 1436.73 5 0 0 6 30177.6 1234.19 9 0 0 -7 710.628 258.296 5 0 0 7 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5248.12 886.329 1 2 -6 7 513.105 159.853 7 -2 6 -7 389.011 216.789 9 -2 -6 -7 868.939 347.389 4 -2 6 -7 425.431 185.432 5 -2 6 -7 594.599 319.987 2 -2 6 -8 16361.7 1181.48 5 -2 6 -8 16442.1 1607.87 9 -2 -6 -8 17828.5 1450.25 4 2 -6 8 17321.3 901.113 7 -2 6 -8 18578.4 1643.37 2 -2 6 -9 4942.40 693.557 5 -2 -6 -9 5078.90 817.607 4 -2 6 -9 5995.60 990.920 9 -2 -6 -9 4806.12 591.847 3 -2 6 -9 5291.62 910.458 2 -2 -6 -10 27719.7 1996.72 4 -2 6 -10 28255.6 1732.16 5 -2 6 -10 30926.9 2261.19 9 -2 6 -10 31440.5 2290.77 2 -2 6 -11 1500.99 545.169 2 -2 6 -11 1941.33 588.647 9 -2 6 -11 1452.87 428.220 5 -2 -6 -11 671.228 313.725 4 -2 -6 -12 1664.76 544.378 5 -2 6 -12 1825.20 520.321 5 -2 6 -12 1499.95 556.991 9 -2 6 -13 6311.56 1097.76 9 -2 -6 -13 6532.11 1128.32 5 -2 6 -13 5797.88 900.696 5 -2 6 -14 3994.34 926.966 9 -2 -6 -14 3012.96 800.157 5 -2 6 -14 2708.90 640.657 5 -2 -6 -15 4771.50 1036.65 5 -2 6 -15 4622.51 982.631 9 -2 6 -15 4433.66 861.447 5 -2 6 -16 251.193 355.851 9 -2 6 -16 211.523 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1418.89 443.397 2 2 7 7 1267.29 467.849 1 -2 7 -7 1404.30 350.194 5 2 -7 7 1332.37 287.717 7 -2 7 -7 848.001 352.898 9 -2 -7 -7 1451.06 416.627 4 -2 7 -8 13881.9 1541.01 9 2 7 8 13891.7 1566.64 1 2 -7 8 14700.1 944.698 7 -2 -7 -8 13537.2 1284.01 4 -2 7 -8 13012.6 1099.43 5 -2 7 -8 15603.9 1571.26 2 2 7 9 12906.4 1557.29 1 -2 7 -9 14083.7 1204.27 5 -2 7 -9 15140.4 1641.87 9 2 -7 9 16317.4 971.604 7 -2 7 -9 17741.8 1739.27 2 -2 -7 -9 14369.9 1409.00 4 -2 7 -10 568.768 246.021 5 2 7 10 217.857 334.478 1 -2 7 -10 643.852 408.873 9 -2 -7 -10 1035.10 376.779 4 -2 7 -10 660.584 272.862 2 -2 7 -11 247.666 108.963 9 -2 7 -11 378.022 240.168 5 -2 -7 -11 192.516 237.048 4 -2 7 -11 1144.47 503.799 2 2 7 11 464.297 381.775 1 -2 7 -12 1721.50 477.615 5 -2 7 -12 1317.12 535.267 9 -2 -7 -12 1557.55 509.686 4 -2 7 -12 1091.81 480.079 2 -2 7 -13 950.528 400.381 2 -2 7 -13 1110.31 392.924 5 -2 -7 -13 1192.84 488.319 4 -2 7 -13 1045.16 442.925 9 -2 7 -14-79.3010 154.626 9 -2 7 -14 77.4614 165.268 5 -2 -7 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860.876 6 2 8 -10 606.896 303.987 9 2 -8 -10 417.348 193.271 5 -2 8 10 504.490 316.549 1 -2 8 10 481.585 223.942 8 2 8 -10 164.835 135.588 5 2 -8 -10 745.552 437.035 6 -2 -8 10 701.520 351.928 7 2 -8 -9 75.1985 86.8821 5 2 8 -9 459.315 293.273 9 -2 8 9 247.850 174.294 1 2 8 -9 998.259 442.571 5 -2 -8 9 306.888 269.645 7 -2 8 9 563.532 223.467 8 2 -8 -9 327.098 188.879 6 -2 8 8-50.3121 113.503 1 2 8 -8 136.289 151.177 9 -2 -8 8-42.5501 207.953 7 2 -8 -8-62.0114 175.301 6 2 8 -7 44090.1 2500.44 9 -2 8 7 43717.4 2651.97 1 -2 8 7 47642.2 2675.19 3 -2 -8 7 45364.6 2627.53 7 2 -8 -7 51581.0 2901.13 6 -2 8 6 4282.51 838.664 1 2 -8 -6 4341.71 351.068 4 2 8 -6 4836.65 826.525 9 -2 8 6 3684.54 756.321 3 -2 8 5 1216.11 468.752 1 -2 8 5 1046.19 396.519 3 2 8 -5 871.636 391.164 9 2 8 -5 838.710 310.813 2 2 8 -5 714.504 413.000 1 2 8 -4 5985.61 981.925 1 2 8 -4 5300.42 707.823 2 -2 8 4 7141.47 1051.48 1 -2 8 4 5168.94 842.196 3 -2 8 3 15111.4 1561.96 1 2 8 -3 15655.0 1131.71 2 2 8 -3 13704.3 1486.66 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284.502 1 -2 -9 -13 61.4509 100.876 4 -2 9 -14 969.687 509.214 9 2 9 14 312.929 221.120 1 -2 -9 -14 978.377 435.331 4 -2 9 -14 319.428 271.614 2 -2 9 -15 1826.79 697.412 9 2 9 15 1234.66 570.778 1 -2 9 -15 499.047 358.457 2 2 10 -14 255.746 308.670 5 -2 10 14 352.514 246.780 1 -2 10 13 3250.85 855.009 1 2 10 -13 3302.64 894.164 5 2 -10 -13 4594.25 1068.28 6 -2 -10 12-200.196 210.164 7 -2 10 12 130.708 184.821 1 2 10 -12 379.046 375.355 5 2 -10 -12-385.456 296.668 6 -2 10 11-11.2389 82.9041 1 2 10 -11-40.6767 259.901 5 2 -10 -11 59.1447 104.710 6 -2 -10 11 66.0417 273.776 7 -2 10 10 1263.70 516.838 1 2 10 -10 1524.03 531.678 9 2 10 -10 2928.61 802.158 5 -2 -10 10 2338.57 696.551 7 2 -10 -10 1968.23 633.408 6 2 10 -10 1276.00 480.890 2 2 -10 -9 157.423 291.369 6 -2 10 9-20.2522 179.861 1 2 10 -9 121.016 126.695 9 2 10 -9 186.703 140.682 5 -2 -10 9-12.4705 152.084 7 2 10 -9-54.5818 128.207 2 -2 10 8 1751.78 624.907 1 2 10 -8 1102.29 452.069 9 -2 -10 8 1218.67 483.624 7 2 -10 -8 1731.36 585.412 6 2 10 -8 1628.66 505.783 2 2 10 -7 2721.13 736.568 9 -2 10 7 3607.42 764.283 3 -2 -10 7 3379.06 792.383 7 2 -10 -7 3730.07 833.406 6 -2 10 7 3255.22 849.710 1 2 10 -7 3212.63 688.943 2 2 10 -6 3877.25 726.759 2 -2 10 6 5616.53 1108.20 1 2 10 -6 4789.49 951.316 9 2 -10 -6 6180.18 1076.93 6 -2 10 6 4121.63 850.684 3 -2 10 5 665.697 388.968 1 2 10 -5 304.295 206.610 2 2 10 -5 530.895 331.785 9 -2 10 5 107.560 177.862 3 2 10 -4 22892.7 2118.41 9 2 10 -4 22665.6 2180.73 1 2 10 -4 24326.7 1633.63 2 -2 10 4 26705.7 2112.78 3 -2 10 4 24824.7 2277.31 1 2 10 -3 2579.89 743.547 1 -2 10 3 2970.88 800.310 1 -2 10 2 515.956 346.418 9 2 10 -2 910.929 440.452 1 2 10 -1 188.091 239.581 1 -2 10 1 175.025 218.390 9 2 10 0 6865.79 1203.78 1 -2 10 0 7858.79 1324.71 9 -2 10 -1 3659.06 901.559 9 2 10 1 4943.37 1005.03 1 -2 10 -2 9650.97 1470.43 9 2 10 2 10257.9 1497.47 1 2 10 3 3809.82 944.644 1 -2 10 -3 3422.01 883.423 9 2 10 4 18159.4 2031.97 1 -2 10 -4 20266.5 2136.74 9 2 10 5 3675.50 945.486 1 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2161.70 766.027 1 2 11 5 4585.91 1101.68 1 -2 11 -5 4318.56 1025.57 9 -2 11 -6 4316.21 1061.21 9 2 11 6 3924.58 1026.67 1 -2 11 -7 23132.3 2453.35 9 2 11 7 24113.0 2537.58 1 2 11 8 2622.69 862.297 1 -2 11 -8 2957.64 804.814 2 -2 11 -8 2326.40 799.984 9 2 11 9 672.879 455.629 1 -2 11 -9 3.35182 248.946 2 -2 11 -9 359.541 344.256 9 2 11 10 3403.33 985.369 1 -2 11 -10 2473.86 831.454 9 -2 11 -10 4010.39 976.109 2 -2 11 -11-179.085 229.347 2 2 11 11-40.5037 132.766 1 -2 11 -11 62.8686 172.981 9 2 11 12 1880.86 766.301 1 -2 11 -12 545.201 285.682 9 -2 11 -12 1762.06 696.505 2 2 12 -9 5306.12 1141.55 9 2 12 -9 4919.63 1085.89 5 -2 -12 9 5548.74 1134.52 7 -2 12 9 5206.54 1197.53 1 -2 12 8 814.475 451.131 1 2 12 -8 751.699 445.916 9 -2 -12 8 893.607 457.045 7 -2 12 7 1441.17 708.329 1 -2 -12 7 2956.44 803.813 7 2 12 -7 1879.59 668.664 9 2 12 -6 422.719 296.033 9 -2 12 6 940.772 514.020 1 -2 12 5 4956.35 1220.96 9 2 12 -5 3380.28 919.198 9 -2 12 5 3493.06 969.524 1 -2 12 4 589.501 477.619 9 2 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1133.15 633.969 9 2 13 -1 1727.44 703.020 1 2 13 0 1033.13 599.808 1 -2 13 0 1612.90 658.762 9 2 13 1 1679.31 730.675 1 -2 13 -1 870.708 521.447 9 2 13 2 184.245 270.046 1 -2 13 -2 545.157 412.103 9 -2 13 -3-4.52971 180.478 9 2 13 3-46.9005 274.150 1 2 13 4 389.066 416.701 1 -2 13 -4 640.384 460.089 9 2 13 5-41.2541 195.515 1 -2 13 -5 330.938 481.503 9 3 0 -20 10060.5 1684.70 5 3 0 -19-147.247 263.927 5 3 0 -18 10658.6 1605.60 5 3 0 -17-489.436 345.538 5 3 0 -16 15953.4 1851.95 5 3 0 -15-323.046 262.355 5 3 0 -14 4682.75 927.409 5 3 0 -13 315.001 305.395 5 -3 0 12 5352.70 461.702 9 3 0 -12 6191.84 998.174 5 -3 0 11 41.0202 49.0396 9 3 0 -11 22.8426 128.725 5 -3 0 11 36.9685 39.7986 1 3 0 -10 58364.5 2803.19 5 -3 0 10 56244.5 1229.61 9 -3 0 9 4.26472 21.1139 9 3 0 -9 117.284 200.295 6 3 0 -8 12967.0 1201.83 5 3 0 -8 15840.6 1474.56 6 3 0 -7-0.69649 109.006 5 3 0 -7-12.8985 138.226 6 3 0 -6 5643.75 707.627 5 3 0 -6 3922.88 653.362 6 3 0 -5-72.9213 182.045 5 3 0 -5-49.2263 171.814 6 3 0 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41.1050 41.4722 4 3 0 2 287323. 4418.73 9 3 0 2 279746. 3808.93 2 3 0 3-46.8536 78.8329 5 -3 0 -3 21.1539 113.139 2 3 0 3 141.844 141.710 9 -3 0 -3-33.8379 106.550 4 3 0 3-28.1690 49.9431 2 -3 0 -4 46622.9 1908.77 4 -3 0 -4 45887.3 1651.85 2 3 0 4 48818.6 1592.33 5 -3 0 -5 35.4388 63.5387 5 3 0 5 129.660 124.208 5 -3 0 -5 152.652 199.910 4 -3 0 -5-25.8439 82.6713 2 -3 0 -6 40886.4 1718.74 2 -3 0 -6 39341.7 1617.61 5 3 0 6 43386.0 1744.41 5 -3 0 -7 270.339 172.312 5 -3 0 -8 23276.3 1410.80 5 -3 0 -9 205.155 190.341 5 -3 0 -10 56553.9 2474.36 5 -3 0 -11-145.453 159.791 5 -3 0 -12 54713.5 2687.39 5 -3 0 -13 85.6044 169.466 5 -3 0 -14 10282.5 1277.03 5 -3 0 -15 277.391 250.794 5 -3 0 -16 14311.9 1613.49 5 -3 0 -17 112.206 231.223 5 -3 0 -18-10.8717 239.874 5 -3 0 -19-25.0309 308.296 5 -3 0 -20-130.857 207.483 5 3 -1 -20 69.4289 135.090 5 3 1 -20 47.3127 239.424 5 3 1 -19 737.164 456.196 5 3 -1 -19 1056.94 529.526 5 3 -1 -18 2611.64 845.755 5 3 1 -18 1412.83 601.081 5 3 -1 -17 440.450 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2314.97 792.604 5 3 -7 -15 1260.32 545.048 5 3 7 -15 4071.41 1036.86 5 3 -7 -14 2597.03 732.405 5 3 7 -14 3616.99 926.215 5 3 -7 -14 2104.62 696.978 6 3 -7 -13 1620.16 567.732 5 -3 7 13 739.651 345.111 1 3 7 -13 1165.27 549.861 5 -3 -7 13 1734.58 579.970 7 3 -7 -13 1584.77 604.733 6 3 -7 -12 1562.43 520.155 5 3 7 -12 1003.09 469.783 5 -3 7 12 1390.95 450.571 1 3 -7 -12 1084.70 516.567 6 -3 -7 12 1740.45 584.505 7 3 -7 -11 5711.62 966.302 5 -3 7 11 5319.57 879.880 1 3 -7 -11 7710.82 1303.92 6 -3 7 11 5787.67 846.399 8 3 7 -11 5962.36 1112.82 5 -3 -7 11 5981.92 1042.63 7 3 -7 -10 5934.53 941.810 5 -3 7 10 5776.84 893.015 1 -3 7 10 5605.24 827.898 8 3 7 -10 5518.19 1044.72 5 3 7 -10 5403.55 768.247 9 -3 -7 10 6021.36 1036.68 7 3 -7 -10 5471.46 1047.75 6 -3 -7 9 114.916 175.885 7 3 -7 -9 19.4962 80.7282 5 -3 7 9-146.482 150.384 1 3 7 -9-12.6196 76.6513 9 -3 7 9-145.010 190.504 8 3 -7 -9-375.479 281.408 6 3 7 -9-6.65137 244.254 5 -3 7 8 803.842 357.339 1 3 -7 -8 842.540 322.786 5 3 7 -8 605.171 283.166 9 -3 7 8 629.446 297.453 8 -3 7 8 1666.92 495.094 3 3 -7 -8 902.624 411.633 6 -3 -7 8 716.285 322.115 7 -3 7 7 3049.39 642.202 1 3 -7 -7 3274.12 599.630 5 3 7 -7 3086.63 604.877 9 -3 -7 7 2462.37 670.328 7 -3 7 7 4159.35 814.668 3 3 -7 -7 2670.72 706.022 6 3 -7 -6 321.819 248.062 5 3 -7 -6 6.45261 30.5355 4 3 7 -6-97.4809 133.323 9 -3 7 6 145.547 203.984 3 -3 -7 6-29.2289 187.947 7 3 7 -6 35.4161 152.933 1 -3 7 6 44.3965 104.657 1 3 7 -5 1881.83 498.877 1 -3 7 5 1966.43 533.808 3 3 -7 -5 1530.88 226.251 4 -3 7 5 1834.14 511.158 1 -3 7 4 759.832 325.095 3 -3 7 4 986.562 387.370 9 3 7 -4 601.441 311.990 1 -3 -7 4 560.337 221.337 6 -3 7 3 44385.8 1795.24 5 3 7 -3 43849.7 2483.04 1 -3 7 3 39801.4 2522.32 9 -3 -7 3 44002.9 1651.88 6 -3 7 2 1561.58 312.155 5 -3 7 2 1788.68 549.511 9 3 7 -2 2159.15 559.159 1 -3 -7 2 1921.17 291.271 6 3 7 -2 2069.87 340.085 2 3 7 -1 2243.08 564.004 1 -3 7 1 1504.05 488.467 9 -3 7 1 2529.22 359.757 5 3 7 -1 2426.24 311.520 2 -3 7 0 30687.4 2207.84 9 3 7 0 30309.7 2118.39 1 -3 7 0 30945.9 1172.45 5 3 7 1 74.4684 172.402 1 -3 -7 -1 593.754 276.051 4 -3 7 -1 196.769 99.6574 5 -3 7 -1 343.884 269.117 9 3 7 2 50437.4 2832.53 1 -3 7 -2 45181.5 2719.57 9 -3 7 -2 45690.5 974.409 4 -3 -7 -2 50076.7 2286.13 4 -3 7 -2 49148.2 1294.66 5 -3 7 -3 16675.2 773.983 5 -3 7 -3 19450.7 871.919 4 -3 7 -3 15542.9 1597.40 9 -3 -7 -3 16429.5 1325.58 4 3 7 3 16638.5 1631.64 1 -3 7 -3 16923.9 745.879 5 -3 -7 -4-21.3600 163.091 4 3 7 4-100.810 249.337 1 -3 7 -4 16.7132 77.6372 4 -3 7 -4 85.8771 66.8225 5 -3 7 -4 142.051 326.699 9 -3 -7 -5 1310.55 393.983 4 -3 7 -5 1407.78 484.962 2 3 7 5 697.090 391.304 1 -3 7 -5 1660.69 554.013 9 -3 7 -5 1300.63 256.697 5 -3 7 -5 1310.74 310.638 4 -3 7 -6 2889.70 391.510 5 -3 7 -6 3646.70 749.701 2 3 7 6 2489.67 605.037 1 -3 7 -6 3530.36 787.731 9 -3 -7 -6 2589.21 588.041 4 -3 7 -7 3068.44 446.598 5 -3 7 -7 3163.64 710.332 2 3 -7 7 3510.57 372.235 7 -3 7 -7 3062.52 785.895 9 3 7 7 3065.78 769.893 1 -3 -7 -7 3165.28 649.233 4 -3 7 -8 27865.5 1406.21 5 -3 7 -8 22589.7 2072.54 9 -3 -7 -8 29427.4 2050.23 4 -3 7 -8 27432.9 2201.95 2 -3 7 -9 1131.08 491.758 2 -3 7 -9 1089.55 318.939 5 -3 7 -9 1513.13 558.101 9 -3 -7 -9 1076.70 396.817 4 -3 7 -10 3403.36 812.430 2 -3 7 -10 5133.49 1030.91 9 -3 -7 -10 3677.62 782.144 4 -3 7 -10 3315.08 563.445 5 -3 7 -11 10132.6 1019.72 5 -3 -7 -11 10425.6 1342.01 4 -3 7 -11 8967.31 1370.03 9 -3 7 -11 10186.7 1459.45 2 -3 7 -12 252.320 294.149 9 -3 7 -12 224.582 157.315 5 -3 -7 -12 215.480 242.983 4 -3 7 -12 177.290 228.747 2 -3 7 -13 1787.23 475.343 5 -3 7 -13 1266.71 547.118 9 -3 -7 -13 2162.93 688.250 4 -3 7 -13 1207.99 536.948 2 -3 7 -14 332.805 322.213 9 -3 -7 -14 299.900 305.451 4 -3 7 -14 481.549 372.859 2 -3 -7 -15 10529.8 1551.56 4 -3 7 -15 9117.62 1541.41 2 -3 7 -15 6218.46 1231.87 9 -3 7 -16 275.761 319.020 9 -3 -7 -16-78.5700 214.092 4 -3 7 -16 206.885 315.615 2 -3 7 -17 574.066 358.058 9 -3 -7 -17 852.138 476.225 4 -3 7 -17 2005.62 725.726 2 3 -8 -16 569.033 337.592 5 3 8 -16 797.511 417.242 5 3 -8 -15-175.570 287.856 5 3 8 -15 109.181 166.733 5 -3 -8 14 669.159 378.990 7 3 -8 -14 190.798 267.190 5 3 -8 -14 346.922 347.106 6 3 8 -14 539.596 437.782 5 -3 -8 13 7333.33 1248.56 7 -3 8 13 7262.98 1096.17 1 3 8 -13 6748.62 1255.97 5 3 -8 -13 9550.35 1368.28 5 3 -8 -13 11176.9 1645.31 6 3 -8 -12-10.5492 178.951 5 -3 8 12-108.493 101.467 1 3 8 -12 443.162 353.520 5 -3 -8 12-70.7695 210.367 7 3 -8 -12 243.617 119.834 6 3 -8 -11 12.2035 214.759 5 -3 8 11-87.1371 155.063 1 -3 8 11-22.9024 178.711 8 3 8 -11 66.9705 204.771 5 -3 -8 11 308.111 235.903 7 3 -8 -11 71.4822 108.576 6 3 -8 -10 432.014 296.370 5 -3 8 10 9.31503 184.999 1 3 8 -10 243.510 182.353 9 -3 8 10 345.260 201.979 8 3 8 -10 70.4957 235.922 5 -3 -8 10 250.004 310.077 7 3 -8 -10 242.291 299.891 6 3 -8 -9 432.279 272.255 5 -3 8 9 801.806 378.743 1 3 8 -9 478.288 234.056 9 -3 8 9 147.160 112.616 8 3 8 -9 47.4922 85.6853 5 -3 -8 9 344.784 281.680 7 3 -8 -9 520.645 284.250 6 -3 8 8 1427.55 493.108 1 3 -8 -8 1216.10 421.192 5 -3 8 8 822.573 330.579 8 -3 8 8 1144.59 379.091 3 -3 -8 8 1042.99 417.581 7 3 -8 -8 1047.93 464.234 6 3 8 -8 838.987 329.501 9 -3 8 7 2693.93 669.864 1 -3 8 7 2934.33 726.353 3 3 8 -7 2248.56 533.209 9 -3 -8 7 3080.81 742.435 7 3 -8 -7 3446.84 790.068 6 3 8 -6 1344.08 436.035 9 -3 8 6 1508.53 545.130 3 -3 -8 6 2014.97 637.993 7 3 8 -6 2041.53 571.181 1 -3 8 6 2361.27 637.925 1 -3 8 5 63247.5 3268.76 3 3 8 -5 63597.4 3200.83 1 -3 8 5 69809.0 3318.17 1 -3 8 4 13492.8 1591.84 9 3 8 -4 11619.1 1366.97 1 -3 8 4 12732.9 1471.35 3 3 8 -3 95347.9 3941.99 1 3 8 -3 97743.6 2676.97 2 3 8 -2 3020.22 737.950 1 -3 -8 2 2602.68 339.215 6 3 8 -2 3974.48 483.490 2 -3 8 2 2866.45 743.047 9 -3 8 2 3132.79 482.822 5 -3 8 1 1201.97 284.102 5 -3 8 1 1497.58 503.937 9 3 8 -1 1456.16 541.814 1 3 8 0 269.433 267.669 1 -3 8 0 293.741 235.062 9 -3 8 0 407.094 161.502 5 3 8 1 380.952 229.278 1 -3 8 -1 293.236 108.152 5 -3 8 -1 497.867 268.259 9 -3 8 -2 2738.56 716.781 9 3 8 2 2615.42 674.856 1 -3 -8 -2 3105.40 594.946 4 -3 8 -2 3009.00 372.346 5 -3 8 -3 27473.6 1138.52 5 -3 8 -3 24373.0 2157.79 9 3 8 3 28965.1 2323.37 1 -3 -8 -3 29881.2 1811.17 4 -3 8 -4 8577.08 652.342 5 -3 -8 -4 7672.33 953.908 4 -3 8 -4 8973.17 620.297 4 3 8 4 9058.39 1330.76 1 -3 8 -4 9500.43 1332.41 9 -3 8 -5 40967.7 1486.99 5 -3 8 -5 41473.2 1564.74 4 -3 8 -5 41852.4 2830.07 9 -3 -8 -5 44068.8 2300.40 4 3 8 5 41165.9 2818.34 1 -3 8 -5 45663.5 2730.73 2 -3 -8 -6 88.5835 115.342 4 -3 8 -6-111.872 85.7100 5 3 8 6 139.657 217.568 1 -3 8 -6 493.823 310.366 2 -3 8 -6 467.894 318.096 9 -3 -8 -7 2171.27 559.256 4 -3 8 -7 2278.19 707.909 2 -3 8 -7 2582.29 739.523 9 -3 8 -7 1732.28 346.255 5 3 8 7 1774.42 597.706 1 3 8 8 795.719 393.750 1 -3 8 -8 1462.00 511.079 2 -3 8 -8 1097.77 483.771 9 -3 8 -8 1524.44 343.046 5 -3 -8 -8 668.433 330.597 4 -3 8 -9 319.116 235.165 2 3 8 9 1346.58 557.942 1 -3 8 -9 530.721 351.047 9 -3 -8 -9 795.972 389.788 4 -3 8 -10 88.9595 257.627 9 -3 8 -10 231.820 285.809 2 3 8 10 707.074 412.837 1 -3 -8 -10 234.087 246.612 4 -3 8 -11 4477.87 979.293 2 -3 8 -11 4017.88 953.255 9 3 8 11 4240.93 1009.03 1 -3 -8 -11 4309.41 874.287 4 -3 8 -12 80.5410 346.020 2 -3 -8 -12 889.572 382.615 4 -3 8 -12 488.232 371.326 9 3 8 12-33.5938 245.222 1 3 8 13 2190.70 731.111 1 -3 8 -13 1936.23 675.110 2 -3 8 -13 1395.12 577.925 9 -3 -8 -13 1691.34 592.580 4 -3 8 -14 1023.57 527.186 2 -3 8 -14 202.860 148.922 9 -3 -8 -14 830.528 426.382 4 -3 8 -15 258.168 337.879 9 3 8 15 505.869 402.587 1 -3 -8 -15 856.518 447.616 4 -3 8 -15 897.411 534.328 2 -3 8 -16 1611.33 659.449 9 3 8 16 1298.04 618.869 1 -3 -8 -16 1415.48 579.060 4 -3 8 -16 2395.61 847.154 2 3 -9 -15 1517.81 630.947 5 3 9 -15 1891.83 769.936 5 3 -9 -14 983.551 453.776 5 3 9 -14 621.647 414.111 5 -3 -9 14 1103.10 525.424 7 3 -9 -14 1133.49 542.405 6 3 -9 -13 44.8108 208.596 5 -3 9 13 59.9167 227.420 1 3 9 -13-23.7440 231.237 5 -3 -9 13 727.867 416.741 7 3 -9 -13 61.4905 138.884 6 3 -9 -12 851.789 421.931 5 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2 3 9 -4 1659.93 568.418 1 -3 9 4 1423.80 568.679 9 -3 9 4 1637.19 517.501 3 3 9 -4 1861.55 439.235 2 -3 9 3 37011.7 2746.51 9 3 9 -3 41372.6 2782.27 1 3 9 -3 38029.0 1712.99 2 -3 9 2-126.686 280.627 9 3 9 -2-194.210 251.548 1 -3 9 1 11450.0 1548.41 9 3 9 -1 10546.3 1422.78 1 -3 9 0 12823.5 1617.32 9 3 9 0 13984.4 1656.35 1 -3 9 -1 3272.44 818.433 9 3 9 1 2996.78 791.062 1 3 9 2 105.737 272.485 1 -3 9 -2 346.467 308.025 9 -3 9 -3 10888.4 1528.36 9 3 9 3 8688.09 1335.87 1 -3 -9 -3 13430.0 1261.60 4 -3 9 -4 14223.4 1737.92 9 3 9 4 9309.58 1403.32 1 -3 -9 -4 11841.0 1197.36 4 -3 9 -5 19.9475 149.452 9 3 9 5 223.616 244.146 1 -3 -9 -6 86.5659 76.3459 4 -3 9 -6 381.524 249.058 9 -3 9 -6 669.264 336.358 2 3 9 6 250.698 339.578 1 -3 -9 -7 2973.39 651.099 4 -3 9 -7 3356.09 808.698 2 -3 9 -7 2731.78 767.551 9 3 9 7 2544.06 752.880 1 -3 -9 -8 4206.29 769.146 4 3 9 8 3468.04 907.079 1 -3 9 -8 2956.10 749.552 2 -3 9 -8 3450.83 879.272 9 -3 -9 -9 866.186 389.402 4 -3 9 -9 1675.34 685.610 2 3 9 9 55.5791 165.653 1 -3 9 -9 895.372 495.083 9 -3 9 -10 2560.24 759.023 2 -3 9 -10 2371.28 754.968 9 3 9 10 2212.05 748.966 1 -3 -9 -10 2825.65 694.059 4 -3 9 -11 5458.73 1157.30 2 -3 9 -11 6404.37 1236.32 9 3 9 11 4141.80 1024.24 1 -3 -9 -11 2931.77 749.149 4 -3 9 -12 627.460 436.797 2 -3 9 -12 243.972 155.760 9 3 9 12 548.657 364.577 1 -3 -9 -12 616.137 395.366 4 -3 9 -13 3138.56 908.136 2 -3 9 -13 3063.15 942.881 9 -3 -9 -13 3939.50 913.484 4 3 9 13 1975.87 722.911 1 -3 9 -14-235.804 270.523 2 -3 9 -14 198.666 154.598 9 -3 -9 -14 375.548 192.315 4 3 9 14 729.849 525.899 1 3 9 15 2180.85 803.384 1 -3 9 -15 2731.02 911.709 2 -3 9 -15 2183.11 763.882 9 -3 -9 -15 1124.53 519.149 4 3 10 -13 4394.09 1090.86 5 -3 -10 13 4382.98 1000.99 7 3 -10 -13 4849.04 1139.28 6 -3 10 12 1606.31 609.269 1 3 10 -12 673.399 366.276 5 -3 -10 12 472.950 294.624 7 3 -10 -12 580.799 391.510 6 -3 10 11 1705.78 596.755 1 3 10 -11 1557.33 638.048 5 -3 -10 11 1526.95 667.296 7 3 -10 -11 1626.89 664.432 6 -3 10 10 193.297 155.043 1 3 10 -10 319.622 314.837 5 -3 -10 10-36.4253 100.952 7 3 -10 -10 208.000 252.756 6 -3 10 9 2960.68 667.841 8 -3 -10 9 3653.71 882.763 7 3 -10 -9 3649.98 922.996 6 -3 10 9 2905.32 778.280 1 3 10 -8 3875.76 818.506 9 -3 10 8 4907.18 999.034 3 -3 -10 8 3914.57 891.536 7 3 -10 -8 3246.90 834.541 6 -3 10 8 2622.08 742.495 1 3 10 -7 1740.77 549.961 9 -3 10 7 1426.28 567.518 3 -3 -10 7 658.745 365.677 7 3 -10 -7 841.842 422.924 6 -3 10 7 2267.64 703.120 1 3 10 -6 22212.7 2020.38 9 -3 10 6 24517.7 2412.15 9 -3 10 6 28540.3 2382.34 3 -3 10 5 1417.91 510.955 3 -3 10 5 1535.15 637.991 9 3 10 -5 714.783 435.948 9 3 10 -5 654.474 388.939 1 3 10 -4 3908.49 934.173 1 -3 10 4 5770.14 1057.99 3 -3 10 4 7105.20 1296.23 9 3 10 -3 1116.02 503.277 1 -3 10 3 1157.82 567.302 9 -3 10 2 491.061 407.926 9 3 10 -2 364.420 296.548 1 -3 10 1 12863.9 1711.41 9 3 10 -1 13224.3 1701.88 1 3 10 0 733.045 374.118 1 -3 10 0 152.631 188.525 9 3 10 1 962.400 448.540 1 -3 10 -1 917.398 363.763 9 -3 10 -2 2023.28 729.039 9 3 10 2 2563.01 733.071 1 3 10 3 1188.56 578.073 1 -3 10 -3 965.959 540.192 9 3 10 4 524.549 267.928 1 -3 10 -4 647.837 415.408 9 3 10 5 1705.62 659.960 1 -3 -10 -5 1241.89 410.338 4 -3 10 -5 945.482 491.926 9 -3 -10 -6 5591.17 847.796 4 -3 10 -6 4504.95 1058.36 9 3 10 6 4865.19 1099.49 1 -3 -10 -7 884.152 363.120 4 -3 10 -7 341.903 308.268 9 3 10 7 871.573 660.506 1 -3 10 -8 15377.5 1987.24 9 3 10 8 12156.8 1783.54 1 -3 10 -8 13667.9 1757.25 2 3 10 9-250.250 166.450 1 -3 10 -9 7.50551 126.779 9 -3 10 -10 566.149 346.824 2 -3 10 -10 561.637 394.102 9 3 10 10 105.158 240.343 1 -3 10 -11-164.067 224.111 2 -3 10 -11 209.197 161.594 9 3 10 11 38.9601 249.315 1 3 10 12 5235.10 1250.49 1 -3 10 -12 8558.32 1490.72 2 -3 10 -12 5941.49 1268.84 9 3 10 13 1933.38 705.599 1 -3 10 -13 3400.49 962.104 2 -3 10 -13 2606.61 881.691 9 3 11 -11 716.127 511.861 5 -3 -11 11 748.153 421.020 7 -3 11 11 984.654 479.758 1 3 11 -10-223.607 246.687 5 -3 -11 10 838.563 450.867 7 3 -11 -10 535.868 373.388 6 -3 11 10 502.296 300.527 1 -3 -11 9 10117.4 1539.17 7 3 -11 -9 9521.42 1501.69 6 -3 11 9 9888.65 1533.75 1 -3 11 8 2451.93 749.618 1 3 11 -8 1664.66 593.438 9 -3 11 8 2590.96 745.705 3 -3 -11 8 2489.99 750.224 7 3 -11 -8 2119.46 707.796 6 3 11 -7 1726.48 601.988 9 -3 11 7 1649.57 673.467 9 -3 11 7 1908.00 622.564 3 -3 -11 7 1266.11 532.294 7 3 -11 -7 1684.34 637.937 6 -3 11 6 167.323 280.077 9 -3 11 6-141.183 190.518 3 3 11 -6 140.139 173.683 9 3 11 -5 1133.60 500.798 9 -3 11 5 1752.42 663.931 9 -3 11 5 2011.34 650.677 3 3 11 -5 671.828 377.807 1 -3 11 4 2080.28 655.602 3 -3 11 4 2319.32 795.105 9 3 11 -4 2239.89 719.456 1 3 11 -3-5.20664 224.316 1 -3 11 3 69.4694 267.924 3 -3 11 3 16.8630 226.661 9 3 11 -2 577.448 349.158 1 -3 11 2-272.567 217.710 9 3 11 -1 2994.16 858.190 1 -3 11 1 4654.35 1102.34 9 3 11 0 3109.90 861.482 1 -3 11 0 5273.23 1177.84 9 -3 11 -1 7039.56 1359.75 9 3 11 1 7907.58 1399.09 1 -3 11 -2 708.725 457.908 9 3 11 2 1220.85 598.076 1 3 11 3 1390.76 586.517 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956.329 7 4 -6 -4 4803.99 559.571 5 4 6 -3 3174.27 623.574 1 -4 6 3 2656.96 394.127 5 4 -6 -3 2664.31 357.070 4 -4 6 3 2832.51 640.232 9 -4 6 2 2750.76 339.733 5 4 -6 -2 3067.47 362.828 4 4 6 -2 2799.64 394.895 3 -4 6 2 3127.54 670.647 9 4 6 -2 2320.96 550.320 1 -4 6 1 13456.4 601.575 5 -4 6 1 14326.3 1441.33 9 4 6 -1 12816.9 703.660 3 4 6 -1 13747.8 1359.71 1 4 6 0 5597.21 906.302 1 -4 6 0 7130.77 1036.72 9 -4 6 -1 14222.3 1463.10 9 -4 6 -1 13291.3 821.223 4 -4 -6 -1 13667.2 1292.40 4 4 6 1 12535.9 1332.73 1 -4 -6 -2 3937.01 692.124 4 4 6 2 4264.43 779.767 1 -4 6 -2 4078.18 489.537 4 -4 6 -2 4694.13 857.821 9 -4 6 -3 9065.20 1224.45 9 -4 6 -3 10380.8 830.986 4 -4 -6 -3 10801.3 1161.98 4 4 6 4 36521.8 1522.57 8 -4 6 -4 35801.5 2416.29 9 -4 6 -4 37026.8 1654.70 4 -4 -6 -4 34504.2 2107.07 4 -4 6 -5 51529.6 2959.30 9 4 6 5 54958.9 1684.84 8 -4 -6 -5 59239.7 2821.97 4 -4 6 -5 59521.3 3037.60 2 -4 6 -6 4695.35 683.684 4 -4 6 -6 4169.82 819.748 2 -4 6 -6 3665.42 807.748 9 -4 6 -6 3077.15 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473.592 4 -4 6 -16 973.791 513.674 2 -4 -6 -17 270.279 398.120 4 -4 6 -17-89.9643 186.853 2 4 -7 -17 986.648 462.439 5 4 7 -17 2897.31 922.128 5 4 -7 -16 539.516 358.415 5 4 7 -16 43.5778 128.432 5 4 -7 -15 3725.98 894.353 5 4 7 -15 2671.86 842.327 5 4 -7 -15 2570.34 908.570 6 4 -7 -14 1964.33 636.317 5 -4 -7 14 2723.89 776.718 7 4 7 -14 1432.58 615.453 5 4 -7 -14 607.380 354.117 6 4 -7 -13 1506.18 545.834 5 4 7 -13 1217.25 536.520 5 -4 -7 13 1206.46 511.977 7 4 -7 -13 1448.56 612.086 6 4 -7 -12 1450.98 507.461 5 4 7 -12 2115.99 703.660 5 -4 -7 12 449.610 309.595 7 4 -7 -12 1702.02 663.631 6 4 7 -11 12867.6 1699.11 5 -4 7 11 10090.8 1167.44 1 -4 7 11 11794.5 1315.43 8 -4 -7 11 11542.8 1544.14 7 4 -7 -11 12042.4 1694.49 6 4 -7 -11 6973.94 1084.77 5 4 -7 -10 4488.40 819.713 5 -4 7 10 4643.05 817.785 8 4 7 -10 4796.77 996.615 5 -4 -7 10 3708.88 861.568 7 4 -7 -10 6134.56 1185.42 6 4 -7 -9 188.864 183.423 5 -4 7 9 160.628 89.0494 8 -4 -7 9 241.105 209.532 7 4 -7 -9 552.108 401.569 6 4 7 -8 17493.8 1355.97 9 -4 7 8 18677.6 1765.00 9 -4 7 8 16582.9 1792.12 3 -4 7 8 19377.9 1626.62 8 -4 -7 8 16463.2 1733.83 7 4 -7 -8 17065.7 1892.55 6 4 -7 -8 16810.7 1438.68 5 4 -7 -7 530.980 259.309 5 -4 7 7 506.783 301.272 9 4 7 -7 329.980 287.537 9 -4 7 7 770.849 391.808 3 -4 7 7 506.380 290.171 8 -4 -7 7 957.264 382.185 7 4 7 -7 550.343 289.851 1 -4 7 6 14323.3 1542.21 9 4 7 -6 16303.8 1500.51 1 -4 7 6 19097.8 1876.15 3 -4 -7 6 15946.1 1663.34 7 4 -7 -6 15490.0 1221.24 5 4 -7 -5 887.063 269.102 5 4 7 -5 797.798 342.425 1 -4 7 5 677.696 344.308 3 -4 7 5 1338.15 525.336 9 -4 -7 5 724.639 332.339 7 -4 7 4 2343.81 629.584 9 -4 7 4 4298.11 890.269 3 -4 7 4 2735.80 455.577 5 4 7 -4 3324.52 678.531 1 4 -7 -4 2775.50 325.382 4 -4 7 3 18072.6 1071.25 5 -4 7 3 20827.0 1847.12 9 4 7 -3 17799.9 1612.86 1 -4 7 2 27646.4 1164.72 5 -4 7 2 26577.9 2104.32 9 4 7 -2 27636.6 2013.06 1 -4 7 1-100.939 160.583 9 -4 7 1 99.2230 63.6807 5 4 7 -1 87.6135 57.7556 3 4 7 -1 82.2130 110.954 1 4 7 -1 193.714 94.5670 2 -4 7 0 16255.4 515.734 5 -4 7 0 18873.7 1792.21 9 4 7 1 3096.52 707.833 1 -4 -7 -1 3225.28 649.772 4 -4 7 -1 2924.99 712.886 9 -4 7 -2 48878.6 2947.95 9 -4 7 -2 47716.3 1434.79 4 -4 -7 -2 47813.1 2460.80 4 4 7 2 49956.1 2909.57 1 -4 7 -3 38171.3 2638.32 9 -4 7 -3 36668.3 1421.01 4 -4 -7 -3 36627.6 2187.92 4 4 7 3 36200.2 2492.88 1 -4 -7 -4 408.243 232.964 4 -4 7 -4 428.124 313.810 9 4 7 4 691.078 390.676 1 -4 7 -4 94.4591 119.116 4 -4 -7 -5 1624.02 455.560 4 -4 7 -5 942.187 417.185 9 4 7 5 1282.04 465.838 1 -4 7 -5 1761.12 378.978 4 -4 -7 -6-162.333 259.390 4 -4 7 -6-66.8054 144.738 2 -4 7 -6 341.531 249.415 9 -4 7 -6 400.908 215.755 4 -4 -7 -7 154.903 87.1407 4 -4 7 -7 142.786 216.122 2 -4 7 -7 114.230 238.810 9 -4 7 -7 188.062 186.221 4 -4 7 -8 250.683 202.639 2 -4 7 -8 115.165 150.636 9 -4 7 -8 173.345 126.530 4 -4 -7 -8 297.219 213.396 4 -4 7 -9 3467.90 815.564 2 -4 7 -9 3549.32 876.089 9 -4 -7 -9 4256.10 865.895 4 -4 7 -10 857.821 513.889 2 -4 7 -10 776.381 459.199 9 -4 -7 -10 973.871 436.294 4 -4 7 -11 821.349 410.994 2 -4 7 -11 1186.30 531.529 9 -4 -7 -11 600.206 420.336 4 -4 7 -12 11262.9 1635.50 9 -4 -7 -12 13249.1 1662.92 4 -4 7 -12 13011.4 1731.55 2 -4 7 -13 498.057 338.501 2 -4 7 -13 928.450 568.517 9 -4 -7 -13-143.349 269.062 4 -4 7 -14 5330.93 1167.69 2 -4 7 -14 4775.05 1102.73 9 -4 -7 -14 5251.07 1132.88 4 -4 7 -15 4752.75 1153.68 2 -4 7 -15 4425.12 1082.91 9 -4 -7 -15 4310.84 1035.60 4 -4 7 -16 714.078 493.702 2 -4 7 -16 1213.04 578.375 9 -4 -7 -16 1511.49 617.303 4 -4 7 -17 346.642 286.825 2 -4 7 -17 675.115 489.085 9 -4 -7 -17 646.426 426.145 4 4 -8 -15 211.236 158.102 5 4 -8 -15 50.2795 161.537 6 4 -8 -14 746.450 409.256 5 4 8 -14-361.735 321.895 5 -4 -8 14 63.8603 130.459 7 4 -8 -14 1229.53 649.727 6 4 8 -13 120.055 272.319 5 -4 -8 13 636.313 396.022 7 4 -8 -13 879.764 541.152 6 4 -8 -12 1992.59 618.109 5 -4 8 12 1770.14 528.440 8 4 8 -12 1604.68 640.190 5 -4 -8 12 410.504 209.093 7 4 -8 -12 2212.37 789.448 6 -4 8 12 520.460 330.679 1 4 8 -11 15526.5 1924.94 5 -4 8 11 16909.3 1633.19 1 -4 8 11 13601.2 1440.53 8 -4 -8 11 12437.6 1633.93 7 4 -8 -11 16836.8 2053.50 6 4 -8 -11 15565.8 1609.59 5 4 -8 -10 644.798 322.693 5 -4 8 10 662.097 337.727 8 4 8 -10 590.041 392.959 5 -4 -8 10 373.943 236.278 7 4 -8 -9 3185.86 659.307 5 -4 8 9 2606.59 618.582 8 -4 8 9 3534.10 870.778 3 -4 -8 9 3040.73 794.586 7 4 -8 -9 3074.23 856.267 6 4 -8 -8-223.957 174.741 5 -4 8 8 101.232 228.338 9 -4 8 8-181.783 175.114 8 4 8 -8-70.7363 110.217 9 -4 8 8 22.2381 224.102 3 -4 -8 8-482.362 318.605 7 4 -8 -8 202.557 284.009 6 4 -8 -7 8.96816 61.2773 5 4 8 -7 274.357 214.199 9 -4 8 7-42.4109 333.745 9 -4 8 7-183.335 293.159 3 -4 -8 7-29.0618 155.260 7 4 8 -7 22.0263 111.384 1 -4 8 6 9942.34 1397.77 3 -4 8 6 9557.65 1336.82 9 -4 -8 6 10119.8 1380.28 7 4 8 -6 8707.58 1193.50 1 -4 8 5 80.6792 192.613 9 4 8 -5-137.836 85.2106 1 -4 8 5-106.635 208.060 3 -4 8 4 6429.72 1105.65 9 4 8 -4 5293.89 929.264 1 -4 8 4 7077.70 1173.32 3 -4 8 3 7096.93 1143.89 9 4 8 -3 6674.09 1055.59 1 -4 8 2 5450.15 1012.51 9 4 8 -2 4005.74 820.325 1 -4 8 1 20356.8 1972.87 9 4 8 -1 19377.8 1836.70 1 4 8 0 1549.08 563.365 1 -4 8 0 2664.70 749.415 9 -4 8 -1 2420.77 728.236 9 4 8 1 1125.38 422.973 1 -4 8 -2 13447.0 1605.24 9 4 8 2 13081.7 1564.87 1 -4 -8 -2 13316.0 1352.02 4 4 8 3 1561.63 548.863 1 -4 -8 -3 1870.38 538.275 4 -4 8 -3 2351.05 686.680 9 -4 8 -4 6508.02 1161.85 9 4 8 4 7308.46 1200.38 1 -4 -8 -4 7225.94 1012.88 4 -4 -8 -5 377.697 284.002 4 -4 8 -5-5.95974 155.432 9 4 8 5 395.593 328.191 1 -4 8 -6 1862.90 652.107 9 -4 -8 -6 3704.52 747.985 4 4 8 6 3099.94 806.040 1 -4 8 -7 31607.5 2642.38 9 -4 -8 -7 37268.9 2426.82 4 4 8 7 32997.5 2682.14 1 -4 8 -7 40926.6 2830.09 2 -4 -8 -8 1614.32 545.696 4 -4 8 -8 1321.23 536.834 2 -4 8 -8 757.957 392.432 9 4 8 8 614.702 383.746 1 -4 8 -9 4907.47 1037.05 2 -4 8 -9 3635.03 920.109 9 4 8 9 4689.45 1026.77 1 -4 -8 -9 4827.91 939.098 4 -4 8 -10 624.833 365.497 9 -4 8 -10 520.171 352.737 2 4 8 10-62.7929 247.011 1 -4 -8 -10 279.712 231.780 4 -4 8 -11 313.889 263.260 2 -4 8 -11 263.815 201.372 9 -4 -8 -11 916.418 444.245 4 -4 8 -12 560.154 343.853 2 -4 8 -12 511.599 393.712 9 -4 -8 -12 499.551 336.073 4 -4 8 -13 479.005 502.224 2 -4 8 -13 62.8167 153.248 9 -4 -8 -13 136.445 85.3678 4 -4 8 -14 300.472 458.288 2 -4 8 -14 363.532 259.779 9 -4 -8 -14 245.624 269.311 4 -4 8 -15 2644.38 891.620 2 -4 8 -15 2461.23 806.182 9 -4 -8 -15 2366.19 778.868 4 4 -9 -14 5613.50 1087.75 5 4 9 -14 6083.63 1326.00 5 -4 -9 14 5777.61 1204.07 7 4 -9 -14 7390.65 1479.39 6 4 -9 -13 624.106 394.481 5 4 9 -13 336.714 363.222 5 -4 -9 13 139.421 246.673 7 4 -9 -13 648.438 420.396 6 4 -9 -12 1068.39 449.819 5 4 9 -12 370.278 360.890 5 -4 -9 12 315.602 268.199 7 4 -9 -12 1066.71 503.673 6 4 -9 -11 421.143 168.741 5 -4 9 11 173.767 196.053 8 4 9 -11 118.043 117.490 5 -4 -9 11 356.810 360.369 7 4 -9 -11 404.011 327.759 6 4 -9 -10 1014.33 405.054 5 -4 9 10 215.880 177.998 8 4 9 -10 626.659 340.887 5 -4 -9 10 1137.87 525.069 7 4 -9 -10 443.863 351.517 6 -4 9 9 10338.3 1509.70 9 -4 9 9 10261.1 1280.13 8 -4 9 9 9661.22 1474.76 3 -4 -9 9 6104.53 1139.98 7 4 -9 -9 12341.4 1741.72 6 -4 9 8 6208.41 1179.20 9 -4 9 8 7051.53 1240.42 3 -4 -9 8 4476.03 982.465 7 4 -9 -8 6037.30 1214.47 6 -4 9 8 6091.72 991.061 8 4 9 -7 947.390 380.347 9 -4 9 7 478.174 354.730 9 -4 9 7 239.252 134.234 3 -4 -9 7 34.7037 194.952 7 -4 9 6 17544.0 1933.40 9 4 9 -6 15142.0 1556.30 9 -4 9 6 18559.6 1996.30 3 4 9 -6 16155.0 1749.02 1 -4 -9 6 18872.9 1970.11 7 4 9 -5 5859.48 1045.50 1 -4 9 5 4916.75 1048.33 9 -4 9 5 8566.35 1352.62 3 4 9 -4 709.800 388.443 1 -4 9 4 763.106 358.324 3 -4 9 4 591.310 358.584 9 -4 9 3 11112.7 1527.15 9 4 9 -3 11208.2 1471.10 1 -4 9 2 1232.70 548.513 9 4 9 -2 702.116 358.714 1 -4 9 1 4399.15 964.028 9 4 9 -1 2178.99 642.830 1 -4 9 0 188.466 268.533 9 4 9 0 499.020 334.135 1 -4 9 -1 13027.7 1693.59 9 4 9 1 13852.3 1683.53 1 4 9 2 763.500 449.102 1 -4 9 -2 337.299 253.138 9 -4 -9 -3 1675.54 503.898 4 -4 9 -3 1393.37 561.383 9 4 9 3 1730.40 605.701 1 -4 -9 -4 4615.31 829.175 4 -4 9 -4 4408.40 1016.95 9 4 9 4 5100.28 1101.60 1 -4 9 -5 18223.1 2050.56 9 4 9 5 18113.3 2031.59 1 -4 -9 -5 20744.1 1778.12 4 -4 -9 -6 246.000 217.578 4 4 9 6-87.0643 153.649 1 -4 9 -6 98.3789 270.028 9 -4 -9 -7 634.616 338.433 4 4 9 7 866.033 497.612 1 -4 9 -7 1689.84 626.662 9 -4 9 -8 16.0642 191.926 9 -4 -9 -8 81.8910 133.441 4 -4 9 -8 4.76160 323.767 2 4 9 8-177.769 196.848 1 -4 -9 -9 12272.1 1504.13 4 -4 9 -9 11556.1 1709.61 9 4 9 9 13632.4 1871.93 1 -4 9 -9 13943.9 1790.00 2 4 9 10 10731.6 1683.92 1 -4 9 -10 10907.7 1669.50 9 -4 -9 -10 10371.2 1409.52 4 -4 9 -10 12121.3 1710.46 2 -4 9 -11-39.9279 116.533 2 -4 9 -11 199.534 330.643 9 4 9 11 565.460 443.686 1 -4 -9 -11-89.3752 153.168 4 -4 9 -12 4577.86 1095.86 2 -4 9 -12 5220.29 1201.01 9 4 9 12 7332.64 1438.71 1 -4 -9 -12 5606.09 1111.39 4 -4 9 -13 361.714 428.700 2 -4 9 -13-266.201 289.268 9 4 9 13 136.580 150.962 1 -4 -9 -13 254.776 272.961 4 -4 9 -14 54.7415 141.283 2 -4 9 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3680.28 766.518 9 -5 6 -3-5.43614 211.281 4 -5 -6 -3 307.616 279.383 4 -5 6 -3 243.214 225.386 9 -5 6 -4 8515.92 1260.71 9 -5 6 -4 9666.15 940.723 4 -5 -6 -4 9619.29 1224.00 4 -5 -6 -5 5510.97 949.680 4 -5 6 -5 3525.56 835.707 9 -5 6 -5 5881.65 766.718 4 -5 -6 -6 2781.10 690.807 4 -5 6 -6 3935.47 889.731 9 -5 6 -6 3733.13 641.493 4 -5 6 -7 34736.6 2655.48 9 -5 -6 -7 39474.4 2606.51 4 -5 6 -8 2177.02 662.563 9 -5 6 -8 2025.71 660.791 2 -5 6 -8 2293.98 586.088 4 -5 -6 -8 2082.40 599.705 4 -5 6 -9-32.6084 270.749 2 -5 6 -9-638.072 381.325 9 -5 6 -9 218.091 242.341 4 -5 -6 -9-81.2981 118.191 4 -5 6 -10 81.0158 125.907 2 -5 6 -10-83.3504 222.236 9 -5 6 -10 508.525 352.139 4 -5 -6 -10 159.429 100.800 4 -5 6 -11 107.123 145.722 2 -5 6 -11-148.725 115.369 9 -5 6 -11 148.099 214.841 4 -5 -6 -11 131.581 235.117 4 -5 6 -12 5689.39 1136.14 2 -5 6 -12 5030.28 1124.92 9 -5 -6 -12 4428.70 1006.45 4 -5 6 -13 2137.27 750.256 9 -5 -6 -13 2726.16 812.088 4 -5 6 -14 1950.07 760.269 2 -5 6 -14 1222.76 548.845 9 -5 -6 -14 2033.02 787.928 4 -5 6 -15 8505.53 1494.77 2 -5 6 -15 7277.29 1432.61 9 -5 -6 -15 8957.16 1566.94 4 -5 6 -16 592.269 435.204 2 -5 -6 -16 848.441 480.864 4 -5 6 -17 1397.86 680.012 2 -5 -6 -17 2274.67 838.762 4 5 -7 -16 359.190 180.253 5 5 -7 -16-199.340 272.731 6 5 -7 -15 2482.10 749.682 5 5 7 -15 3667.03 1061.03 5 5 -7 -15 2226.66 859.237 6 5 -7 -14-242.563 236.299 5 5 7 -14 569.979 390.090 5 -5 -7 14-29.2438 132.846 7 5 -7 -14 453.002 319.903 6 5 -7 -13 889.406 397.863 5 -5 7 13 308.446 250.436 9 5 7 -13 254.497 224.888 5 -5 -7 13 376.936 319.922 7 5 -7 -13-31.9860 144.132 6 5 -7 -12-115.107 153.111 5 -5 7 12-234.388 211.338 9 5 7 -12-156.406 317.841 5 -5 -7 12 158.464 232.820 7 5 -7 -12-115.510 216.059 6 5 -7 -11 188.412 113.636 5 -5 7 11 246.697 259.312 9 -5 7 11 327.737 256.861 8 5 7 -11-228.075 252.818 5 -5 -7 11 1.64858 181.957 7 5 -7 -11 31.0742 246.112 6 5 -7 -10 1199.80 430.261 5 -5 7 10 1123.50 439.214 9 -5 7 10 1284.83 460.641 8 5 7 -10 471.259 138.100 5 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16258.7 1584.15 1 -5 7 1 23729.1 2047.97 9 5 7 -1 23660.7 1953.18 1 -5 7 0 1421.91 519.882 9 5 7 0 782.803 326.539 1 -5 7 -1 9247.24 1313.67 9 5 7 1 7265.29 1122.18 1 -5 -7 -1 10539.8 1264.81 4 -5 7 -2 34676.5 2583.90 9 -5 7 -2 36532.5 1562.02 4 -5 -7 -2 36810.0 2385.95 4 5 7 2 33420.8 2441.84 1 -5 7 -3 3547.94 506.326 4 -5 -7 -3 3485.57 731.667 4 5 7 3 2543.21 687.138 1 -5 7 -3 3585.76 843.923 9 -5 7 -4 12269.3 1572.04 9 -5 7 -4 12949.7 1041.83 4 -5 -7 -4 15242.5 1551.70 4 5 7 4 14973.8 1701.13 1 -5 -7 -5 2464.61 617.797 4 -5 7 -5 1938.95 680.862 9 -5 7 -5 1417.38 362.835 4 -5 7 -6 33470.9 2672.04 9 -5 7 -6 35700.7 1940.42 4 -5 -7 -6 37508.4 2518.52 4 -5 7 -7 7642.76 1314.10 9 -5 7 -7 8795.64 1003.59 4 -5 -7 -7 10961.1 1394.24 4 -5 -7 -8-29.4283 122.704 4 -5 7 -8 379.590 368.412 2 -5 7 -8-238.896 216.500 9 -5 7 -8 106.513 110.936 4 -5 7 -9 5011.27 1017.74 2 -5 7 -9 5148.57 1092.70 9 -5 7 -9 5759.62 894.652 4 -5 -7 -9 4733.58 975.809 4 -5 7 -10 2050.83 647.492 2 -5 7 -10 2411.44 782.017 9 -5 7 -10 2847.40 659.094 4 -5 -7 -10 2383.07 753.786 4 -5 7 -11 4868.41 1063.80 2 -5 7 -11 2646.10 814.086 9 -5 7 -11 3989.03 820.178 4 -5 -7 -11 3304.81 888.497 4 -5 7 -12 42.0938 131.056 2 -5 7 -12-35.2477 109.348 4 -5 -7 -12-21.6196 194.818 4 -5 7 -13 1621.34 648.596 2 -5 7 -13 1076.76 552.386 9 -5 -7 -13 731.903 417.156 4 -5 7 -14 549.353 318.953 2 -5 7 -14 1072.79 542.474 9 -5 -7 -14 665.148 435.394 4 -5 7 -15 160.145 172.256 2 -5 -7 -15 54.6128 231.928 4 -5 7 -16 1348.82 655.417 2 -5 7 -16 1340.08 680.203 9 -5 -7 -16 937.340 544.967 4 5 -8 -14 198.458 74.6478 5 5 8 -14 179.534 366.060 5 -5 -8 14 243.074 340.666 7 5 -8 -14-162.521 372.581 6 5 -8 -13 1945.32 619.022 5 -5 8 13 1626.01 558.138 9 5 8 -13 3125.29 936.969 5 -5 -8 13 2090.45 779.180 7 5 -8 -13 3576.44 1039.22 6 5 -8 -12 5812.63 1023.87 5 -5 8 12 6331.45 1138.84 9 -5 8 12 4407.71 890.476 8 5 8 -12 6332.81 1286.74 5 -5 -8 12 7126.29 1345.28 7 5 -8 -12 7819.68 1522.30 6 5 -8 -11 27.1977 92.4300 5 -5 8 11-107.115 214.652 9 -5 8 11 430.859 311.132 8 5 8 -11-85.1430 252.087 5 -5 -8 11-42.2632 314.610 7 5 -8 -11 515.155 322.551 6 -5 8 10-108.814 98.5228 9 -5 8 10-53.1199 99.5520 8 5 8 -10-144.171 315.885 5 -5 -8 10 106.553 198.341 7 -5 8 9 4415.69 936.249 9 -5 8 9 4082.25 852.949 8 -5 8 9 4850.81 1089.98 3 -5 -8 9 5047.50 1078.15 7 5 -8 -9 5294.56 1183.51 6 -5 8 8-238.410 231.009 9 -5 8 8 60.4386 93.5960 8 -5 8 8-353.431 280.741 3 -5 -8 8 261.956 260.537 7 5 -8 -8-659.862 414.967 6 -5 8 7 7845.98 1240.98 9 -5 8 7 7362.56 1309.00 3 -5 8 7 5956.70 1007.67 8 -5 -8 7 6451.49 1171.20 7 5 8 -7 6241.84 1014.65 1 5 8 -6 194.087 198.935 1 -5 8 6 681.508 422.685 9 -5 8 6-53.2110 217.787 3 -5 -8 6 85.6081 210.964 7 -5 8 5 14166.0 1672.39 9 5 8 -5 12632.0 1462.29 1 -5 -8 5 15646.0 1792.17 7 -5 8 5 16482.6 1891.63 3 -5 8 4 718.208 377.878 3 -5 8 4 1606.38 563.655 9 5 8 -4 1110.94 418.366 1 -5 -8 4 1260.31 520.741 7 -5 8 3 796.603 392.124 9 5 8 -3 1354.10 450.809 1 5 8 -2 2225.71 636.678 1 -5 8 2 1828.25 576.403 9 5 8 -1 4454.39 893.099 1 -5 8 1 4062.77 907.532 9 -5 8 0 2419.84 678.560 9 5 8 0 2808.79 738.595 1 -5 8 -1 9995.30 1462.76 9 5 8 1 11666.0 1506.53 1 5 8 2 2630.66 751.623 1 -5 -8 -2 3234.44 718.321 4 -5 8 -2 2505.33 705.339 9 -5 -8 -3 5478.57 938.366 4 -5 8 -3 4942.24 1047.04 9 5 8 3 3124.99 799.367 1 -5 -8 -4 2470.38 640.338 4 -5 8 -4 3208.89 812.709 9 5 8 4 1963.43 645.202 1 -5 -8 -5 2467.93 659.586 4 5 8 5 1332.81 533.037 1 -5 8 -5 3108.68 849.299 9 -5 -8 -6 2617.62 675.031 4 5 8 6 3460.54 889.560 1 -5 8 -6 2474.00 768.053 9 -5 -8 -7 111.643 94.6666 4 -5 8 -7 127.058 134.973 9 -5 -8 -8 1788.08 572.128 4 -5 8 -8 2707.87 820.308 9 5 8 8 1885.76 687.763 1 -5 8 -9 10184.7 1610.61 9 -5 -8 -9 12073.4 1555.50 4 -5 8 -9 11596.5 1617.99 2 -5 -8 -10-12.2713 123.111 4 -5 8 -10 251.154 348.351 2 -5 8 -10 634.207 510.445 9 -5 8 -11 1663.25 620.783 2 -5 8 -11 2124.59 799.281 9 -5 -8 -11 2018.36 666.127 4 -5 8 -12-132.797 228.904 2 -5 8 -12 445.726 349.249 9 -5 -8 -12-97.4394 300.106 4 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7 13290.6 1751.06 7 5 9 -6 520.474 278.072 1 -5 9 6-170.737 323.413 9 -5 9 6 587.474 402.506 3 -5 -9 6 457.723 323.921 7 5 9 -5 1252.33 482.697 1 -5 9 5 2203.94 690.312 9 -5 9 5 1074.34 499.216 3 -5 -9 5 1919.28 652.241 7 -5 9 4 3223.36 882.124 3 -5 9 4 2696.27 785.278 9 5 9 -4 2709.01 704.369 1 -5 9 3 15353.6 1881.45 9 5 9 -3 10243.1 1411.21 1 -5 9 2 10207.2 1525.94 9 5 9 -2 8651.41 1330.63 1 -5 9 1-129.031 351.258 9 5 9 -1 360.083 256.437 1 5 9 0 893.861 440.367 1 -5 9 0 1880.90 701.539 9 5 9 1 1764.85 664.229 1 -5 9 -1 2766.12 808.029 9 -5 9 -2 284.051 366.581 9 5 9 2 350.421 333.192 1 -5 9 -3 11620.7 1669.57 9 5 9 3 11537.7 1625.34 1 -5 -9 -3 13688.5 1555.41 4 5 9 4 1566.84 636.055 1 -5 -9 -4 985.603 417.435 4 -5 9 -4 2153.64 720.234 9 -5 -9 -5 229.963 199.530 4 5 9 5 86.3767 140.147 1 -5 9 -5 87.7231 113.687 9 -5 -9 -6 7.95389 199.208 4 -5 9 -6 574.390 398.950 9 5 9 6 256.045 257.354 1 -5 -9 -7 1306.59 531.303 4 -5 9 -7 1365.58 613.917 9 5 9 7 425.305 422.158 1 -5 -9 -8 915.705 398.755 4 5 9 8 1237.81 557.691 1 -5 9 -8 992.021 533.803 9 -5 -9 -9 2463.87 690.779 4 -5 9 -9 1114.42 583.434 9 5 9 9 2140.95 787.822 1 -5 -9 -10 2579.99 769.941 4 5 9 10 1613.99 689.548 1 -5 9 -10 4436.84 1091.93 2 -5 9 -10 2150.97 793.096 9 -5 9 -11 9556.48 1662.24 9 5 9 11 11478.4 1824.20 1 -5 -9 -11 11106.4 1610.06 4 -5 9 -11 11910.0 1787.83 2 -5 -9 -12 586.928 454.498 4 -5 9 -12-118.171 250.240 2 -5 9 -12 410.631 463.894 9 5 9 12 654.664 567.055 1 5 9 13 3991.74 1117.14 1 -5 9 -13 3542.70 1014.98 2 -5 9 -13 2737.48 898.228 9 -5 -9 -13 3894.74 993.485 4 -5 10 11 1518.53 621.897 9 5 10 -11 1572.04 673.401 5 -5 -10 11 1105.92 564.855 7 5 -10 -11 1804.41 735.850 6 -5 10 10 4949.54 1117.76 9 -5 10 10 3062.01 787.209 8 5 10 -10 3759.40 1043.68 5 -5 -10 10 2621.55 822.340 7 5 -10 -10 4481.22 1158.41 6 -5 10 9-7.37241 129.557 9 -5 10 9 84.4296 143.785 8 -5 10 9 593.125 432.939 3 -5 -10 9 339.907 247.375 7 5 -10 -9-73.9270 279.794 6 -5 10 8 421.396 326.870 9 -5 10 8 278.666 270.292 8 5 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270.036 5 -8 5 8 98.1718 132.884 3 -8 -5 8-424.930 333.434 7 8 -5 -8-162.407 320.880 6 -8 5 7 3539.66 739.366 9 -8 5 7 2867.13 847.681 8 -8 5 7 3185.20 914.821 3 -8 -5 7 3867.61 952.917 7 -8 5 6 106.544 145.024 9 -8 5 6 27.9352 129.625 8 -8 5 6 311.100 522.391 3 -8 -5 6 105.082 174.247 7 -8 5 5 230.785 122.416 9 -8 5 5 495.559 325.937 3 -8 5 5 959.493 521.568 8 -8 -5 5 537.551 400.261 7 -8 5 4 344.779 256.898 9 -8 5 4 680.962 387.494 3 -8 5 4 492.585 338.984 8 -8 -5 4 505.913 328.329 7 8 5 -4 517.735 292.561 1 -8 5 3 6193.71 1044.26 9 -8 5 3 8154.08 1404.71 3 -8 5 3 6492.59 1160.98 8 -8 -5 3 7093.08 1217.68 7 8 5 -3 4986.22 848.205 1 -8 5 2 6322.66 1085.58 9 -8 5 2 6987.33 1305.42 3 -8 5 2 8954.50 1350.94 8 -8 -5 2 7748.90 1283.12 7 8 5 -2 7419.10 1086.83 1 -8 5 1 2163.31 651.563 9 -8 5 1 2606.92 748.200 8 -8 -5 1 2788.86 766.639 7 -8 5 0 1366.47 518.760 9 -8 -5 0 2330.78 694.837 7 -8 -5 -1 9417.87 1469.17 4 -8 5 -1 8532.62 1322.22 9 -8 -5 -1 8094.97 1258.49 7 -8 5 -1 9918.43 1276.59 4 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572.797 296.790 7 8 -6 -12-86.7334 221.122 6 8 6 -11 345.438 304.211 5 -8 -6 11-59.2778 169.221 7 8 -6 -11-141.861 240.212 6 -8 6 10 802.281 465.385 8 8 6 -10 1500.40 663.098 5 -8 -6 10 993.426 548.324 7 8 -6 -10 1670.62 765.832 6 -8 6 9 1152.41 511.432 8 8 6 -9 2640.14 858.486 5 -8 -6 9 1317.30 618.749 7 -8 6 9 1646.38 806.300 3 8 -6 -9 1925.45 767.916 6 -8 6 8 431.252 283.581 8 -8 6 8-85.4451 244.599 3 -8 -6 8 490.823 392.096 7 8 -6 -8 312.262 445.440 6 -8 6 7 88.0421 151.660 9 -8 6 7-366.669 292.201 8 -8 6 7-188.988 375.777 3 -8 -6 7-263.566 267.166 7 -8 6 6 369.165 271.057 9 -8 6 6-109.674 298.576 8 -8 6 6-21.9084 315.433 3 -8 -6 6 170.159 279.503 7 -8 6 5 3665.12 839.336 9 -8 6 5 6843.82 1366.85 3 -8 6 5 6840.20 1240.63 8 -8 -6 5 5930.34 1182.69 7 -8 6 4 620.351 394.163 9 8 6 -4 699.669 330.391 1 -8 6 4 827.119 517.359 3 -8 6 4 409.555 363.608 8 -8 -6 4-22.0358 203.602 7 -8 6 3 14529.6 1701.36 9 -8 6 3 14564.8 1949.13 3 -8 6 3 13344.5 1700.13 8 -8 -6 3 14844.6 1860.29 7 8 6 -3 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732.840 431.304 3 -11 2 -3 443.975 285.210 8 -11 -2 -3 1937.15 639.661 7 -11 2 -4 1343.97 602.887 4 -11 -2 -4 2031.51 816.260 4 -11 2 -4 846.403 484.309 8 -11 2 -5 889.808 470.249 4 -11 -2 -5 573.281 404.623 4 -11 2 -5 918.309 460.670 8 -11 3 4 809.663 508.265 3 -11 -3 4-22.2519 244.451 7 -11 3 3 416.831 318.817 8 -11 3 3 446.359 376.554 3 -11 -3 3 574.371 414.885 7 -11 3 2 598.988 380.028 8 -11 3 2 864.841 606.307 3 -11 -3 2 690.819 438.755 7 -11 3 1 249.335 338.112 3 -11 3 1 153.265 328.927 8 -11 -3 1 620.178 445.246 7 -11 3 0-196.261 175.905 3 -11 3 0 391.583 366.570 8 -11 -3 0-1.82802 204.155 7 -11 3 -1 2472.30 858.997 3 -11 3 -1 5729.73 1263.88 8 -11 -3 -1 5033.39 1146.51 7 -11 -3 -2 3770.13 1118.65 4 -11 3 -2 2327.06 810.377 3 -11 3 -2 2555.51 820.576 8 -11 -3 -2 3250.19 887.526 7 -11 -3 -3 3819.24 1091.16 4 -11 3 -3 3549.79 993.656 4 -11 3 -3 3040.69 889.185 8 -11 -3 -3 3809.65 949.204 7 -11 -3 -4 10682.0 1850.07 4 -11 3 -4 7790.15 1450.11 4 -11 3 -4 8557.32 1499.38 8 -11 -3 -4 7568.42 1299.54 7 -11 4 1 447.281 380.937 3 -11 4 1 808.981 479.033 8 -11 -4 1 1317.14 596.726 7 -11 4 0 1253.81 642.548 3 -11 4 0 1955.95 756.335 8 -11 -4 0 1920.00 676.784 7 -11 4 -1-243.554 172.272 3 -11 4 -1 322.542 305.298 8 -11 -4 -1-192.591 234.027 7 0 0 0 0.00 0.00 0 TITL RED1 in P2(1)/c REM P2(1)/c (#14 in standard setting) CELL 0.71073 8.868676 10.553663 16.686232 90.0000 89.8067 90.0000 ZERR 4.00 0.000283 0.000375 0.000707 0.0000 0.0031 0.0000 LATT 1 SYMM -x, y+1/2,-z+1/2 SFAC C H O S Cl UNIT 60.00 68.00 16.00 4.00 4.00 TREF HKLF 4 END ; _shelx_hkl_checksum 70374