data_hxqD53_0m _audit_creation_method 'SHELXL-2014/7' _shelx_SHELXL_version_number '2014/7' _chemical_name_systematic ? _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C22 H21 Br N2 O3' _chemical_formula_sum 'C22 H21 Br N2 O3' _chemical_formula_weight 441.32 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'C' 'C' 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'H' 'H' 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'N' 'N' 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'O' 'O' 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Br' 'Br' -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _space_group_crystal_system orthorhombic _space_group_IT_number 19 _space_group_name_H-M_alt 'P 21 21 21' _space_group_name_Hall 'P 2ac 2ab' _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+1/2, -y, z+1/2' '-x, y+1/2, -z+1/2' 'x+1/2, -y+1/2, -z' _cell_length_a 9.8543(4) _cell_length_b 13.1873(6) _cell_length_c 15.4684(7) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 2010.14(15) _cell_formula_units_Z 4 _cell_measurement_temperature 100(2) _cell_measurement_reflns_used 9961 _cell_measurement_theta_min 2.4506 _cell_measurement_theta_max 25.2881 _exptl_crystal_description nugget _exptl_crystal_colour colourless _exptl_crystal_density_meas ? _exptl_crystal_density_method 'not measured' _exptl_crystal_density_diffrn 1.458 _exptl_crystal_F_000 904 _exptl_transmission_factor_min ? _exptl_transmission_factor_max ? _exptl_crystal_size_max 0.27 _exptl_crystal_size_mid 0.22 _exptl_crystal_size_min 0.15 _exptl_absorpt_coefficient_mu 2.070 _shelx_estimated_absorpt_T_min 0.605 _shelx_estimated_absorpt_T_max 0.747 _exptl_absorpt_correction_type Multi-Scan _exptl_absorpt_correction_T_min 0.65 _exptl_absorpt_correction_T_max 0.75 _exptl_absorpt_process_details ; ; _exptl_absorpt_special_details ? _diffrn_ambient_temperature 100(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_source 'microfocus sealed X-ray tube' _diffrn_measurement_device_type 'Bruker D8 QUEST area detector' _diffrn_measurement_method '\w and \f scans' _diffrn_detector_area_resol_mean 7.9 _diffrn_reflns_number 29129 _diffrn_reflns_av_unetI/netI 0.0199 _diffrn_reflns_av_R_equivalents 0.0358 _diffrn_reflns_limit_h_min -11 _diffrn_reflns_limit_h_max 11 _diffrn_reflns_limit_k_min -13 _diffrn_reflns_limit_k_max 15 _diffrn_reflns_limit_l_min -18 _diffrn_reflns_limit_l_max 18 _diffrn_reflns_theta_min 2.451 _diffrn_reflns_theta_max 25.288 _diffrn_reflns_theta_full 25.242 _diffrn_measured_fraction_theta_max 0.997 _diffrn_measured_fraction_theta_full 1.000 _diffrn_reflns_Laue_measured_fraction_max 0.997 _diffrn_reflns_Laue_measured_fraction_full 1.000 _diffrn_reflns_point_group_measured_fraction_max 0.997 _diffrn_reflns_point_group_measured_fraction_full 1.000 _reflns_number_total 3633 _reflns_number_gt 3507 _reflns_threshold_expression 'I > 2\s(I)' _reflns_Friedel_coverage 0.748 _reflns_Friedel_fraction_max 0.997 _reflns_Friedel_fraction_full 1.000 _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 'APEX3 (Bruker AXS Inc., 2015)' _computing_cell_refinement 'SAINT V8.35A (Bruker AXS Inc., 2015)' _computing_data_reduction 'SAINT V8.35A (Bruker AXS Inc., 2015)' _computing_structure_solution 'XT V2014/1 (Bruker AXS Inc., 2014)' _computing_structure_refinement 'SHELXL-2014/7 (Sheldrick, 2014)' _computing_molecular_graphics 'DIAMOND (Crystal Impact)' _computing_publication_material ? _refine_special_details ; ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0104P)^2^+3.4692P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment constr _refine_ls_extinction_method 'SHELXL-2014/7 (Sheldrick 2014' _refine_ls_extinction_coef 0.0018(4) _refine_ls_extinction_expression 'Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^' _refine_ls_abs_structure_details ; Flack x determined using 1389 quotients [(I+)-(I-)]/[(I+)+(I-)] (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259). ; _refine_ls_abs_structure_Flack 0.005(4) _chemical_absolute_configuration ad _refine_ls_number_reflns 3633 _refine_ls_number_parameters 366 _refine_ls_number_restraints 756 _refine_ls_R_factor_all 0.0394 _refine_ls_R_factor_gt 0.0376 _refine_ls_wR_factor_ref 0.0787 _refine_ls_wR_factor_gt 0.0778 _refine_ls_goodness_of_fit_ref 1.152 _refine_ls_restrained_S_all 1.069 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group Br1 Br 0.42577(6) 0.77439(5) 0.48064(3) 0.04132(18) Uani 1 1 d . . . . . C1 C 0.3852(5) 0.1488(5) 0.4085(4) 0.0384(15) Uani 1 1 d . . . . . O1 O 0.3482(4) 0.0951(4) 0.4666(3) 0.0466(11) Uani 1 1 d . . . . . C2 C 0.4207(5) 0.2591(5) 0.4156(3) 0.0360(13) Uani 1 1 d . . . . . H2A H 0.3794 0.2962 0.3666 0.043 Uiso 1 1 calc R U . . . H2B H 0.5204 0.2669 0.4115 0.043 Uiso 1 1 calc R U . . . O2 O 0.3991(4) 0.1170(3) 0.3260(2) 0.0441(11) Uani 1 1 d . . . . . C3 C 0.3713(5) 0.3059(4) 0.5007(3) 0.0318(13) Uani 1 1 d . . . . . H3 H 0.2728 0.2895 0.5078 0.038 Uiso 1 1 calc R U . . . C4 C 0.4482(5) 0.2619(4) 0.5770(3) 0.0308(12) Uani 1 1 d . . . . . O4 O 0.5656(3) 0.2352(3) 0.5729(2) 0.0422(10) Uani 1 1 d . . . . . C10 C 0.3873(5) 0.4205(5) 0.4991(3) 0.0311(13) Uani 1 1 d . . . . . C11 C 0.5127(5) 0.4670(5) 0.5066(3) 0.0358(14) Uani 1 1 d . . . . . H11 H 0.5913 0.4266 0.5154 0.043 Uiso 1 1 calc R U . . . C12 C 0.5254(5) 0.5714(5) 0.5015(3) 0.0391(15) Uani 1 1 d . . . . . H12 H 0.6120 0.6024 0.5070 0.047 Uiso 1 1 calc R U . . . C13 C 0.4120(5) 0.6297(4) 0.4886(3) 0.0326(11) Uani 1 1 d . . . . . C14 C 0.2851(5) 0.5860(5) 0.4811(4) 0.0424(14) Uani 1 1 d . . . . . H14 H 0.2069 0.6268 0.4723 0.051 Uiso 1 1 calc R U . . . C15 C 0.2743(5) 0.4820(5) 0.4866(4) 0.0421(14) Uani 1 1 d . . . . . H15 H 0.1873 0.4515 0.4817 0.051 Uiso 1 1 calc R U . . . C23 C 0.3589(6) 0.0131(6) 0.3097(4) 0.0502(17) Uani 1 1 d . . . . . H23A H 0.2615 0.0037 0.3233 0.060 Uiso 1 1 calc R U . . . H23B H 0.4126 -0.0339 0.3460 0.060 Uiso 1 1 calc R U . . . C24 C 0.3848(6) -0.0075(6) 0.2150(4) 0.0525(18) Uani 1 1 d . . . . . H24A H 0.3603 -0.0777 0.2016 0.079 Uiso 1 1 calc R U . . . H24B H 0.4811 0.0034 0.2022 0.079 Uiso 1 1 calc R U . . . H24C H 0.3297 0.0387 0.1798 0.079 Uiso 1 1 calc R U . . . C5 C 0.3752(11) 0.2613(12) 0.6615(7) 0.025(3) Uani 0.747(10) 1 d D U P A 1 N6 N 0.4308(7) 0.2301(7) 0.7380(5) 0.025(2) Uani 0.747(10) 1 d D U P A 1 C7 C 0.3315(9) 0.2399(7) 0.7992(6) 0.024(2) Uani 0.747(10) 1 d D U P A 1 H7 H 0.3384 0.2234 0.8588 0.029 Uiso 0.747(10) 1 calc R U P A 1 C8 C 0.2202(10) 0.2782(9) 0.7576(6) 0.028(3) Uani 0.747(10) 1 d D U P A 1 H8 H 0.1355 0.2921 0.7844 0.033 Uiso 0.747(10) 1 calc R U P A 1 N9 N 0.2478(9) 0.2938(8) 0.6719(6) 0.023(2) Uani 0.747(10) 1 d D U P A 1 C16 C 0.5678(8) 0.1951(7) 0.7577(5) 0.0292(18) Uani 0.747(10) 1 d D U P A 1 C17 C 0.6033(8) 0.0956(7) 0.7429(6) 0.042(2) Uani 0.747(10) 1 d D U P A 1 C18 C 0.7346(10) 0.0652(9) 0.7680(8) 0.051(3) Uani 0.747(10) 1 d D U P A 1 H18 H 0.7633 -0.0028 0.7594 0.061 Uiso 0.747(10) 1 calc R U P A 1 C19 C 0.8203(9) 0.1344(7) 0.8046(6) 0.043(2) Uani 0.747(10) 1 d D U P A 1 H19 H 0.9088 0.1131 0.8211 0.052 Uiso 0.747(10) 1 calc R U P A 1 C20 C 0.7836(7) 0.2329(7) 0.8184(4) 0.0362(19) Uani 0.747(10) 1 d D U P A 1 H20 H 0.8457 0.2789 0.8445 0.043 Uiso 0.747(10) 1 calc R U P A 1 C21 C 0.6550(6) 0.2657(8) 0.7943(4) 0.0270(16) Uani 0.747(10) 1 d D U P A 1 H21 H 0.6277 0.3341 0.8025 0.032 Uiso 0.747(10) 1 calc R U P A 1 C22 C 0.5098(9) 0.0212(8) 0.7055(9) 0.067(3) Uani 0.747(10) 1 d D U P A 1 H22A H 0.5498 -0.0467 0.7096 0.100 Uiso 0.747(10) 1 calc R U P A 1 H22B H 0.4932 0.0378 0.6447 0.100 Uiso 0.747(10) 1 calc R U P A 1 H22C H 0.4237 0.0226 0.7373 0.100 Uiso 0.747(10) 1 calc R U P A 1 C5A C 0.364(3) 0.245(4) 0.6509(18) 0.019(6) Uani 0.253(10) 1 d D U P A 2 N6A N 0.4124(19) 0.2053(19) 0.7261(16) 0.017(4) Uani 0.253(10) 1 d D U P A 2 C7A C 0.309(2) 0.2115(18) 0.7857(14) 0.014(5) Uani 0.253(10) 1 d D U P A 2 H7A H 0.3111 0.1897 0.8443 0.017 Uiso 0.253(10) 1 calc R U P A 2 C8A C 0.204(3) 0.255(2) 0.7433(17) 0.018(6) Uani 0.253(10) 1 d D U P A 2 H8A H 0.1202 0.2730 0.7695 0.021 Uiso 0.253(10) 1 calc R U P A 2 N9A N 0.234(3) 0.270(2) 0.6585(16) 0.020(5) Uani 0.253(10) 1 d D U P A 2 C16A C 0.5410(19) 0.1579(16) 0.7433(14) 0.019(4) Uani 0.253(10) 1 d D U P A 2 C17A C 0.564(3) 0.0634(17) 0.7095(16) 0.036(5) Uani 0.253(10) 1 d D U P A 2 C18A C 0.677(2) 0.0066(19) 0.7382(15) 0.045(5) Uani 0.253(10) 1 d D U P A 2 H18A H 0.6909 -0.0615 0.7203 0.055 Uiso 0.253(10) 1 calc R U P A 2 C19A C 0.765(3) 0.054(2) 0.7927(19) 0.044(6) Uani 0.253(10) 1 d D U P A 2 H19A H 0.8409 0.0171 0.8139 0.053 Uiso 0.253(10) 1 calc R U P A 2 C20A C 0.750(2) 0.1514(18) 0.8179(14) 0.037(5) Uani 0.253(10) 1 d D U P A 2 H20A H 0.8181 0.1823 0.8528 0.045 Uiso 0.253(10) 1 calc R U P A 2 C21A C 0.6353(19) 0.2076(19) 0.7928(13) 0.023(4) Uani 0.253(10) 1 d D U P A 2 H21A H 0.6237 0.2764 0.8094 0.028 Uiso 0.253(10) 1 calc R U P A 2 C22A C 0.467(2) 0.0173(17) 0.6500(16) 0.039(6) Uani 0.253(10) 1 d D U P A 2 H22D H 0.4891 -0.0545 0.6421 0.059 Uiso 0.253(10) 1 calc R U P A 2 H22E H 0.4709 0.0522 0.5941 0.059 Uiso 0.253(10) 1 calc R U P A 2 H22F H 0.3749 0.0233 0.6738 0.059 Uiso 0.253(10) 1 calc R U P A 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 Br1 0.0381(3) 0.0635(3) 0.0224(2) -0.0022(3) 0.0025(2) -0.0144(3) C1 0.010(2) 0.071(4) 0.034(3) -0.016(3) 0.000(2) 0.007(2) O1 0.030(2) 0.070(3) 0.040(3) -0.008(2) 0.011(2) 0.008(2) C2 0.018(2) 0.070(4) 0.020(2) -0.006(2) -0.003(2) 0.009(3) O2 0.024(2) 0.076(3) 0.033(2) -0.017(2) 0.0003(16) -0.0074(19) C3 0.012(2) 0.059(3) 0.024(3) -0.003(2) -0.0028(18) 0.003(2) C4 0.017(2) 0.051(3) 0.024(2) -0.006(2) -0.0004(19) 0.004(2) O4 0.0166(16) 0.081(3) 0.0288(17) -0.0052(19) -0.0002(15) 0.015(2) C10 0.013(2) 0.063(4) 0.016(3) -0.002(2) 0.0000(17) 0.004(2) C11 0.014(2) 0.068(4) 0.025(3) -0.013(3) -0.004(2) 0.005(2) C12 0.019(3) 0.075(4) 0.023(3) -0.017(3) -0.0028(19) -0.008(2) C13 0.026(3) 0.053(3) 0.018(2) -0.004(2) 0.003(2) -0.004(2) C14 0.018(2) 0.059(4) 0.050(3) 0.013(4) 0.005(3) 0.003(2) C15 0.012(2) 0.063(4) 0.052(3) 0.016(3) -0.002(3) -0.002(2) C23 0.032(3) 0.070(5) 0.049(4) -0.022(3) 0.009(3) 0.000(3) C24 0.039(3) 0.075(5) 0.043(4) -0.021(3) -0.002(3) 0.008(3) C5 0.016(3) 0.031(6) 0.026(4) -0.005(4) -0.001(3) 0.002(3) N6 0.017(3) 0.033(4) 0.026(3) 0.001(3) 0.001(2) 0.003(3) C7 0.024(4) 0.023(5) 0.026(4) 0.004(3) 0.005(3) 0.003(3) C8 0.022(4) 0.034(6) 0.027(4) -0.002(4) 0.005(3) 0.000(4) N9 0.016(3) 0.029(5) 0.025(4) -0.006(3) -0.001(3) 0.001(3) C16 0.022(3) 0.038(4) 0.027(4) 0.004(3) 0.002(3) 0.009(3) C17 0.028(4) 0.041(4) 0.057(5) -0.006(4) -0.001(3) 0.007(3) C18 0.033(4) 0.057(5) 0.064(6) 0.008(4) 0.001(4) 0.014(4) C19 0.033(4) 0.052(4) 0.044(4) 0.005(3) -0.008(4) 0.019(3) C20 0.032(3) 0.049(4) 0.027(3) -0.004(3) -0.005(3) 0.010(3) C21 0.023(3) 0.039(4) 0.018(3) 0.002(3) 0.000(2) 0.010(3) C22 0.027(4) 0.058(6) 0.115(9) -0.022(6) -0.003(5) 0.004(4) C5A 0.016(7) 0.024(11) 0.016(7) -0.004(6) -0.001(5) 0.004(6) N6A 0.012(6) 0.021(8) 0.019(6) -0.002(6) 0.001(4) 0.001(5) C7A 0.014(6) 0.012(9) 0.016(6) -0.009(6) 0.000(5) -0.005(6) C8A 0.010(7) 0.022(10) 0.022(7) -0.012(6) 0.001(5) 0.002(6) N9A 0.014(7) 0.024(10) 0.021(7) -0.011(6) -0.001(5) 0.003(6) C16A 0.016(6) 0.023(7) 0.017(7) 0.007(5) 0.001(5) 0.005(5) C17A 0.038(8) 0.032(7) 0.037(8) -0.001(6) 0.003(6) 0.009(6) C18A 0.045(8) 0.048(8) 0.044(8) 0.004(6) 0.002(6) 0.015(6) C19A 0.041(9) 0.058(8) 0.035(9) 0.008(6) 0.004(7) 0.010(6) C20A 0.028(7) 0.055(8) 0.029(8) 0.012(6) 0.004(6) 0.005(6) C21A 0.021(6) 0.036(7) 0.014(7) 0.008(6) 0.002(5) -0.003(5) C22A 0.042(10) 0.026(9) 0.050(10) -0.005(8) 0.002(8) 0.013(7) _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 Br1 C13 1.917(5) . ? C1 O1 1.200(7) . ? C1 O2 1.350(7) . ? C1 C2 1.500(9) . ? C2 C3 1.533(6) . ? C2 H2A 0.9900 . ? C2 H2B 0.9900 . ? O2 C23 1.448(8) . ? C3 C4 1.518(7) . ? C3 C10 1.520(8) . ? C3 H3 1.0000 . ? C4 O4 1.212(6) . ? C4 C5A 1.43(3) . ? C4 C5 1.492(11) . ? C10 C11 1.385(7) . ? C10 C15 1.391(7) . ? C11 C12 1.385(9) . ? C11 H11 0.9500 . ? C12 C13 1.371(8) . ? C12 H12 0.9500 . ? C13 C14 1.381(7) . ? C14 C15 1.378(8) . ? C14 H14 0.9500 . ? C15 H15 0.9500 . ? C23 C24 1.512(9) . ? C23 H23A 0.9900 . ? C23 H23B 0.9900 . ? C24 H24A 0.9800 . ? C24 H24B 0.9800 . ? C24 H24C 0.9800 . ? C5 N9 1.337(9) . ? C5 N6 1.367(9) . ? N6 C7 1.368(8) . ? N6 C16 1.459(9) . ? C7 C8 1.369(9) . ? C7 H7 0.9500 . ? C8 N9 1.368(9) . ? C8 H8 0.9500 . ? C16 C17 1.377(11) . ? C16 C21 1.388(12) . ? C17 C18 1.409(12) . ? C17 C22 1.466(12) . ? C18 C19 1.366(15) . ? C18 H18 0.9500 . ? C19 C20 1.366(12) . ? C19 H19 0.9500 . ? C20 C21 1.391(9) . ? C20 H20 0.9500 . ? C21 H21 0.9500 . ? C22 H22A 0.9800 . ? C22 H22B 0.9800 . ? C22 H22C 0.9800 . ? C5A N9A 1.33(2) . ? C5A N6A 1.36(2) . ? N6A C7A 1.376(19) . ? N6A C16A 1.438(18) . ? C7A C8A 1.35(2) . ? C7A H7A 0.9500 . ? C8A N9A 1.36(2) . ? C8A H8A 0.9500 . ? C16A C17A 1.37(2) . ? C16A C21A 1.37(2) . ? C17A C18A 1.42(2) . ? C17A C22A 1.46(2) . ? C18A C19A 1.37(3) . ? C18A H18A 0.9500 . ? C19A C20A 1.35(3) . ? C19A H19A 0.9500 . ? C20A C21A 1.41(2) . ? C20A H20A 0.9500 . ? C21A H21A 0.9500 . ? C22A H22D 0.9800 . ? C22A H22E 0.9800 . ? C22A H22F 0.9800 . ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag O1 C1 O2 123.7(6) . . ? O1 C1 C2 126.0(5) . . ? O2 C1 C2 110.3(5) . . ? C1 C2 C3 112.3(5) . . ? C1 C2 H2A 109.1 . . ? C3 C2 H2A 109.1 . . ? C1 C2 H2B 109.1 . . ? C3 C2 H2B 109.1 . . ? H2A C2 H2B 107.9 . . ? C1 O2 C23 115.5(5) . . ? C4 C3 C10 109.9(4) . . ? C4 C3 C2 110.8(4) . . ? C10 C3 C2 110.7(4) . . ? C4 C3 H3 108.4 . . ? C10 C3 H3 108.4 . . ? C2 C3 H3 108.4 . . ? O4 C4 C5A 123.4(11) . . ? O4 C4 C5 120.3(5) . . ? O4 C4 C3 123.2(4) . . ? C5A C4 C3 113.1(11) . . ? C5 C4 C3 116.3(5) . . ? C11 C10 C15 117.9(5) . . ? C11 C10 C3 122.1(4) . . ? C15 C10 C3 120.0(5) . . ? C10 C11 C12 121.1(5) . . ? C10 C11 H11 119.5 . . ? C12 C11 H11 119.5 . . ? C13 C12 C11 119.5(5) . . ? C13 C12 H12 120.2 . . ? C11 C12 H12 120.2 . . ? C12 C13 C14 121.0(5) . . ? C12 C13 Br1 120.7(4) . . ? C14 C13 Br1 118.3(4) . . ? C15 C14 C13 118.7(5) . . ? C15 C14 H14 120.7 . . ? C13 C14 H14 120.7 . . ? C14 C15 C10 121.8(5) . . ? C14 C15 H15 119.1 . . ? C10 C15 H15 119.1 . . ? O2 C23 C24 107.0(6) . . ? O2 C23 H23A 110.3 . . ? C24 C23 H23A 110.3 . . ? O2 C23 H23B 110.3 . . ? C24 C23 H23B 110.3 . . ? H23A C23 H23B 108.6 . . ? C23 C24 H24A 109.5 . . ? C23 C24 H24B 109.5 . . ? H24A C24 H24B 109.5 . . ? C23 C24 H24C 109.5 . . ? H24A C24 H24C 109.5 . . ? H24B C24 H24C 109.5 . . ? N9 C5 N6 111.6(7) . . ? N9 C5 C4 123.8(8) . . ? N6 C5 C4 124.5(8) . . ? C5 N6 C7 106.5(6) . . ? C5 N6 C16 130.3(7) . . ? C7 N6 C16 123.1(7) . . ? N6 C7 C8 106.4(7) . . ? N6 C7 H7 126.8 . . ? C8 C7 H7 126.8 . . ? N9 C8 C7 110.6(7) . . ? N9 C8 H8 124.7 . . ? C7 C8 H8 124.7 . . ? C5 N9 C8 104.8(7) . . ? C17 C16 C21 123.4(8) . . ? C17 C16 N6 120.2(8) . . ? C21 C16 N6 116.4(7) . . ? C16 C17 C18 117.3(9) . . ? C16 C17 C22 122.9(8) . . ? C18 C17 C22 119.7(9) . . ? C19 C18 C17 119.5(10) . . ? C19 C18 H18 120.3 . . ? C17 C18 H18 120.3 . . ? C18 C19 C20 122.4(8) . . ? C18 C19 H19 118.8 . . ? C20 C19 H19 118.8 . . ? C19 C20 C21 119.7(8) . . ? C19 C20 H20 120.2 . . ? C21 C20 H20 120.2 . . ? C16 C21 C20 117.7(8) . . ? C16 C21 H21 121.1 . . ? C20 C21 H21 121.1 . . ? C17 C22 H22A 109.5 . . ? C17 C22 H22B 109.5 . . ? H22A C22 H22B 109.5 . . ? C17 C22 H22C 109.5 . . ? H22A C22 H22C 109.5 . . ? H22B C22 H22C 109.5 . . ? N9A C5A N6A 111.0(19) . . ? N9A C5A C4 126(2) . . ? N6A C5A C4 123(2) . . ? C5A N6A C7A 107.0(16) . . ? C5A N6A C16A 129(2) . . ? C7A N6A C16A 124(2) . . ? C8A C7A N6A 105.4(17) . . ? C8A C7A H7A 127.3 . . ? N6A C7A H7A 127.3 . . ? C7A C8A N9A 111.4(18) . . ? C7A C8A H8A 124.3 . . ? N9A C8A H8A 124.3 . . ? C5A N9A C8A 104.9(18) . . ? C17A C16A C21A 122.5(18) . . ? C17A C16A N6A 117.9(19) . . ? C21A C16A N6A 119.6(18) . . ? C16A C17A C18A 119(2) . . ? C16A C17A C22A 120.9(18) . . ? C18A C17A C22A 120(2) . . ? C19A C18A C17A 117(2) . . ? C19A C18A H18A 121.6 . . ? C17A C18A H18A 121.6 . . ? C20A C19A C18A 123(2) . . ? C20A C19A H19A 118.4 . . ? C18A C19A H19A 118.4 . . ? C19A C20A C21A 121(2) . . ? C19A C20A H20A 119.7 . . ? C21A C20A H20A 119.7 . . ? C16A C21A C20A 117(2) . . ? C16A C21A H21A 121.7 . . ? C20A C21A H21A 121.7 . . ? C17A C22A H22D 109.5 . . ? C17A C22A H22E 109.5 . . ? H22D C22A H22E 109.5 . . ? C17A C22A H22F 109.5 . . ? H22D C22A H22F 109.5 . . ? H22E C22A H22F 109.5 . . ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag O1 C1 C2 C3 -14.6(7) . . . . ? O2 C1 C2 C3 164.7(4) . . . . ? O1 C1 O2 C23 3.3(7) . . . . ? C2 C1 O2 C23 -176.0(4) . . . . ? C1 C2 C3 C4 67.4(6) . . . . ? C1 C2 C3 C10 -170.3(4) . . . . ? C10 C3 C4 O4 -90.2(6) . . . . ? C2 C3 C4 O4 32.5(8) . . . . ? C10 C3 C4 C5A 96(2) . . . . ? C2 C3 C4 C5A -141(2) . . . . ? C10 C3 C4 C5 84.4(9) . . . . ? C2 C3 C4 C5 -152.9(8) . . . . ? C4 C3 C10 C11 49.0(6) . . . . ? C2 C3 C10 C11 -73.8(6) . . . . ? C4 C3 C10 C15 -133.5(5) . . . . ? C2 C3 C10 C15 103.7(5) . . . . ? C15 C10 C11 C12 -0.2(8) . . . . ? C3 C10 C11 C12 177.4(4) . . . . ? C10 C11 C12 C13 -0.2(8) . . . . ? C11 C12 C13 C14 0.4(8) . . . . ? C11 C12 C13 Br1 -179.7(4) . . . . ? C12 C13 C14 C15 -0.2(9) . . . . ? Br1 C13 C14 C15 179.9(5) . . . . ? C13 C14 C15 C10 -0.2(11) . . . . ? C11 C10 C15 C14 0.4(9) . . . . ? C3 C10 C15 C14 -177.2(6) . . . . ? C1 O2 C23 C24 -178.9(5) . . . . ? O4 C4 C5 N9 177.0(11) . . . . ? C3 C4 C5 N9 2.2(17) . . . . ? O4 C4 C5 N6 -1.3(18) . . . . ? C3 C4 C5 N6 -176.2(11) . . . . ? N9 C5 N6 C7 2.3(15) . . . . ? C4 C5 N6 C7 -179.2(12) . . . . ? N9 C5 N6 C16 -176.0(10) . . . . ? C4 C5 N6 C16 2(2) . . . . ? C5 N6 C7 C8 -0.9(12) . . . . ? C16 N6 C7 C8 177.5(9) . . . . ? N6 C7 C8 N9 -0.7(12) . . . . ? N6 C5 N9 C8 -2.7(15) . . . . ? C4 C5 N9 C8 178.8(12) . . . . ? C7 C8 N9 C5 2.1(13) . . . . ? C5 N6 C16 C17 -83.0(15) . . . . ? C7 N6 C16 C17 98.9(11) . . . . ? C5 N6 C16 C21 99.3(13) . . . . ? C7 N6 C16 C21 -78.8(11) . . . . ? C21 C16 C17 C18 1.1(14) . . . . ? N6 C16 C17 C18 -176.5(9) . . . . ? C21 C16 C17 C22 179.0(9) . . . . ? N6 C16 C17 C22 1.5(14) . . . . ? C16 C17 C18 C19 -0.5(16) . . . . ? C22 C17 C18 C19 -178.5(10) . . . . ? C17 C18 C19 C20 0.2(16) . . . . ? C18 C19 C20 C21 -0.4(14) . . . . ? C17 C16 C21 C20 -1.3(12) . . . . ? N6 C16 C21 C20 176.3(7) . . . . ? C19 C20 C21 C16 0.9(11) . . . . ? O4 C4 C5A N9A -178(3) . . . . ? C3 C4 C5A N9A -5(5) . . . . ? O4 C4 C5A N6A 6(5) . . . . ? C3 C4 C5A N6A 179(3) . . . . ? N9A C5A N6A C7A -4(5) . . . . ? C4 C5A N6A C7A 173(4) . . . . ? N9A C5A N6A C16A 172(3) . . . . ? C4 C5A N6A C16A -11(6) . . . . ? C5A N6A C7A C8A 0(3) . . . . ? C16A N6A C7A C8A -176(2) . . . . ? N6A C7A C8A N9A 4(3) . . . . ? N6A C5A N9A C8A 6(5) . . . . ? C4 C5A N9A C8A -170(4) . . . . ? C7A C8A N9A C5A -6(4) . . . . ? C5A N6A C16A C17A -72(4) . . . . ? C7A N6A C16A C17A 103(3) . . . . ? C5A N6A C16A C21A 109(4) . . . . ? C7A N6A C16A C21A -76(3) . . . . ? C21A C16A C17A C18A 11(4) . . . . ? N6A C16A C17A C18A -168(2) . . . . ? C21A C16A C17A C22A -174(2) . . . . ? N6A C16A C17A C22A 7(3) . . . . ? C16A C17A C18A C19A -6(4) . . . . ? C22A C17A C18A C19A 179(3) . . . . ? C17A C18A C19A C20A -2(5) . . . . ? C18A C19A C20A C21A 4(5) . . . . ? C17A C16A C21A C20A -9(3) . . . . ? N6A C16A C21A C20A 171(2) . . . . ? C19A C20A C21A C16A 1(4) . . . . ? _refine_diff_density_max 0.720 _refine_diff_density_min -0.920 _refine_diff_density_rms 0.061 _shelx_res_file ; hxqD53_0m.res created by SHELXL-2014/7 TITL hxqD53_0m_a.res in P2(1)2(1)2(1) REM Old TITL hxqD53_0m in P2(1)2(1)2(1) REM SHELXT solution in P2(1)2(1)2(1) REM R1 0.161, Rweak 0.039, Alpha 0.009, Orientation as input REM Flack x = 0.099 ( 0.006 ) from Parsons' quotients REM Formula found by SHELXT: C22 N2 O3 Br CELL 0.71073 9.8543 13.1873 15.4684 90.0000 90.0000 90.0000 ZERR 4.000 0.0004 0.0006 0.0007 0.000 0.000 0.000 LATT -1 SYMM 1/2-X, -Y, 1/2+Z SYMM -X, 1/2+Y, 1/2-Z SYMM 1/2+X, 1/2-Y, -Z SFAC C H N O BR UNIT 88 84 8 12 4 TEMP -173.150 L.S. 10 BOND $H conf LIST 4 acta size .15 .22 .27 FMAP 2 PLAN 10 WGHT 0.010400 3.469200 EXTI 0.001804 FVAR 0.33809 0.74678 BR1 5 0.425767 0.774388 0.480639 11.00000 0.03812 0.06349 = 0.02236 -0.00216 0.00250 -0.01441 C1 1 0.385172 0.148769 0.408538 11.00000 0.01047 0.07064 = 0.03408 -0.01556 0.00050 0.00737 O1 4 0.348207 0.095092 0.466553 11.00000 0.02956 0.06975 = 0.04048 -0.00794 0.01087 0.00764 C2 1 0.420652 0.259069 0.415608 11.00000 0.01792 0.06994 = 0.02021 -0.00562 -0.00284 0.00877 AFIX 23 H2A 2 0.379381 0.296200 0.366589 11.00000 -1.20000 H2B 2 0.520357 0.266917 0.411502 11.00000 -1.20000 AFIX 0 O2 4 0.399084 0.116970 0.326033 11.00000 0.02374 0.07616 = 0.03254 -0.01737 0.00028 -0.00739 C3 1 0.371278 0.305860 0.500680 11.00000 0.01238 0.05911 = 0.02386 -0.00305 -0.00278 0.00346 AFIX 13 H3 2 0.272814 0.289540 0.507828 11.00000 -1.20000 AFIX 0 C4 1 0.448192 0.261896 0.576993 11.00000 0.01740 0.05083 = 0.02428 -0.00558 -0.00044 0.00408 O4 4 0.565639 0.235160 0.572876 11.00000 0.01661 0.08124 = 0.02882 -0.00515 -0.00024 0.01499 C10 1 0.387259 0.420507 0.499125 11.00000 0.01348 0.06333 = 0.01634 -0.00177 -0.00004 0.00445 C11 1 0.512698 0.466985 0.506628 11.00000 0.01435 0.06799 = 0.02514 -0.01286 -0.00434 0.00507 AFIX 43 H11 2 0.591332 0.426601 0.515406 11.00000 -1.20000 AFIX 0 C12 1 0.525362 0.571419 0.501541 11.00000 0.01909 0.07479 = 0.02331 -0.01691 -0.00282 -0.00758 AFIX 43 H12 2 0.611967 0.602417 0.506977 11.00000 -1.20000 AFIX 0 C13 1 0.411972 0.629724 0.488601 11.00000 0.02641 0.05321 = 0.01816 -0.00381 0.00266 -0.00436 C14 1 0.285142 0.586025 0.481101 11.00000 0.01777 0.05937 = 0.04998 0.01329 0.00500 0.00319 AFIX 43 H14 2 0.206908 0.626842 0.472325 11.00000 -1.20000 AFIX 0 C15 1 0.274337 0.482027 0.486602 11.00000 0.01189 0.06255 = 0.05198 0.01632 -0.00199 -0.00179 AFIX 43 H15 2 0.187342 0.451522 0.481704 11.00000 -1.20000 AFIX 0 C23 1 0.358887 0.013115 0.309701 11.00000 0.03231 0.06979 = 0.04862 -0.02223 0.00899 -0.00004 AFIX 23 H23A 2 0.261545 0.003651 0.323323 11.00000 -1.20000 H23B 2 0.412598 -0.033905 0.346012 11.00000 -1.20000 AFIX 0 C24 1 0.384779 -0.007460 0.214991 11.00000 0.03946 0.07502 = 0.04314 -0.02106 -0.00244 0.00762 AFIX 137 H24A 2 0.360294 -0.077749 0.201582 11.00000 -1.50000 H24B 2 0.481091 0.003358 0.202178 11.00000 -1.50000 H24C 2 0.329738 0.038670 0.179810 11.00000 -1.50000 AFIX 0 REM ##### rigu c5 > c22a simu c5 > c22a isor .008 c5 > c22a PART 1 same c5a > c22a C5 1 0.375249 0.261322 0.661497 21.00000 0.01593 0.03123 = 0.02646 -0.00471 -0.00122 0.00153 N6 3 0.430785 0.230125 0.737956 21.00000 0.01715 0.03261 = 0.02568 0.00099 0.00089 0.00296 C7 1 0.331488 0.239904 0.799202 21.00000 0.02390 0.02291 = 0.02562 0.00420 0.00460 0.00316 AFIX 43 H7 2 0.338423 0.223378 0.858817 21.00000 -1.20000 AFIX 0 C8 1 0.220163 0.278222 0.757561 21.00000 0.02195 0.03354 = 0.02737 -0.00230 0.00532 0.00004 AFIX 43 H8 2 0.135461 0.292072 0.784406 21.00000 -1.20000 AFIX 0 N9 3 0.247812 0.293798 0.671934 21.00000 0.01640 0.02900 = 0.02510 -0.00648 -0.00115 0.00104 C16 1 0.567767 0.195055 0.757710 21.00000 0.02201 0.03826 = 0.02719 0.00440 0.00213 0.00854 C17 1 0.603315 0.095609 0.742911 21.00000 0.02833 0.04067 = 0.05698 -0.00589 -0.00058 0.00674 C18 1 0.734641 0.065237 0.767969 21.00000 0.03269 0.05658 = 0.06373 0.00750 0.00088 0.01371 AFIX 43 H18 2 0.763349 -0.002803 0.759448 21.00000 -1.20000 AFIX 0 C19 1 0.820344 0.134358 0.804598 21.00000 0.03274 0.05218 = 0.04389 0.00472 -0.00846 0.01891 AFIX 43 H19 2 0.908765 0.113115 0.821057 21.00000 -1.20000 AFIX 0 C20 1 0.783608 0.232935 0.818446 21.00000 0.03178 0.04941 = 0.02741 -0.00369 -0.00487 0.00973 AFIX 43 H20 2 0.845659 0.278859 0.844454 21.00000 -1.20000 AFIX 0 C21 1 0.654955 0.265724 0.794287 21.00000 0.02344 0.03919 = 0.01825 0.00230 0.00015 0.00960 AFIX 43 H21 2 0.627676 0.334139 0.802533 21.00000 -1.20000 AFIX 0 C22 1 0.509778 0.021151 0.705505 21.00000 0.02726 0.05804 = 0.11540 -0.02203 -0.00275 0.00426 AFIX 137 H22A 2 0.549799 -0.046712 0.709571 21.00000 -1.50000 H22B 2 0.493248 0.037819 0.644668 21.00000 -1.50000 H22C 2 0.423749 0.022566 0.737266 21.00000 -1.50000 AFIX 0 PART 0 PART 2 C5A 1 0.364093 0.245127 0.650936 -21.00000 0.01588 0.02366 = 0.01615 -0.00416 -0.00131 0.00402 N6A 3 0.412353 0.205311 0.726052 -21.00000 0.01235 0.02122 = 0.01859 -0.00235 0.00051 0.00100 C7A 1 0.309108 0.211489 0.785749 -21.00000 0.01407 0.01228 = 0.01615 -0.00883 -0.00028 -0.00525 AFIX 43 H7A 2 0.311095 0.189720 0.844279 -21.00000 -1.20000 AFIX 0 C8A 1 0.204073 0.255204 0.743310 -21.00000 0.00951 0.02166 = 0.02232 -0.01173 0.00053 0.00196 AFIX 43 H8A 2 0.120199 0.273039 0.769494 -21.00000 -1.20000 AFIX 0 N9A 3 0.233932 0.270311 0.658491 -21.00000 0.01397 0.02435 = 0.02057 -0.01130 -0.00127 0.00330 C16A 1 0.540992 0.157948 0.743343 -21.00000 0.01580 0.02317 = 0.01675 0.00665 0.00072 0.00454 C17A 1 0.563629 0.063425 0.709548 -21.00000 0.03832 0.03214 = 0.03728 -0.00094 0.00283 0.00854 C18A 1 0.676992 0.006572 0.738179 -21.00000 0.04523 0.04760 = 0.04364 0.00359 0.00159 0.01488 AFIX 43 H18A 2 0.690920 -0.061544 0.720265 -21.00000 -1.20000 AFIX 0 C19A 1 0.765316 0.054213 0.792719 -21.00000 0.04075 0.05774 = 0.03488 0.00780 0.00421 0.01027 AFIX 43 H19A 2 0.840893 0.017065 0.813950 -21.00000 -1.20000 AFIX 0 C20A 1 0.750417 0.151400 0.817873 -21.00000 0.02838 0.05495 = 0.02893 0.01230 0.00439 0.00480 AFIX 43 H20A 2 0.818076 0.182305 0.852799 -21.00000 -1.20000 AFIX 0 C21A 1 0.635318 0.207581 0.792807 -21.00000 0.02068 0.03573 = 0.01395 0.00756 0.00189 -0.00278 AFIX 43 H21A 2 0.623699 0.276406 0.809367 -21.00000 -1.20000 AFIX 0 C22A 1 0.466648 0.017328 0.649998 -21.00000 0.04195 0.02617 = 0.04994 -0.00456 0.00212 0.01347 AFIX 137 H22D 2 0.489110 -0.054466 0.642074 -21.00000 -1.50000 H22E 2 0.470880 0.052195 0.594114 -21.00000 -1.50000 H22F 2 0.374853 0.023312 0.673832 -21.00000 -1.50000 PART 0 REM ##### REM ##### AFIX 0 HKLF 4 REM hxqD53_0m_a.res in P2(1)2(1)2(1) REM R1 = 0.0376 for 3507 Fo > 4sig(Fo) and 0.0394 for all 3633 data REM 366 parameters refined using 756 restraints END WGHT 0.0105 3.4657 REM Highest difference peak 0.720, deepest hole -0.920, 1-sigma level 0.061 Q1 1 0.4920 0.7389 0.4731 11.00000 0.05 0.72 Q2 1 0.4450 0.8355 0.4846 11.00000 0.05 0.43 Q3 1 0.4905 0.7416 0.5762 11.00000 0.05 0.39 Q4 1 0.2062 0.6669 0.5192 11.00000 0.05 0.32 Q5 1 0.4381 0.8172 0.5552 11.00000 0.05 0.32 Q6 1 0.6139 -0.0378 0.7743 11.00000 0.05 0.28 Q7 1 0.7383 -0.0058 0.7772 11.00000 0.05 0.27 Q8 1 0.3295 0.8320 0.5173 11.00000 0.05 0.24 Q9 1 0.1839 0.7636 0.4897 11.00000 0.05 0.24 Q10 1 0.6529 0.7347 0.4854 11.00000 0.05 0.24 ; _shelx_res_checksum 40730 _shelx_hkl_file ; -2 0 0 677.598 20.0997 2 -2 0 0 661.739 19.9222 3 -2 0 0 657.632 19.9201 4 2 0 0 652.119 20.0938 2 2 0 0 637.074 19.9186 3 -3 0 0 0.21387 0.60069 4 3 0 0 0.44004 0.67611 2 3 0 0 0.14330 0.54646 3 3 0 0 0.22158 0.60293 4 -3 0 0 -0.0878 0.55413 3 -3 0 0 0.84287 0.72253 2 4 0 0 785.915 24.2732 3 4 0 0 785.702 24.6538 2 -4 0 0 824.168 24.6353 2 4 0 0 765.907 24.2725 4 -4 0 0 778.871 24.2425 3 -4 0 0 802.438 24.2817 4 5 0 0 -0.8102 1.17775 2 -5 0 0 -0.1041 1.41621 2 5 0 0 0.37996 0.94839 3 5 0 0 0.96755 0.99671 4 -5 0 0 1.80461 1.02722 4 -5 0 0 0.82330 0.98753 3 6 0 0 1463.14 45.6812 3 6 0 0 1503.26 45.8096 4 6 0 0 1455.06 46.3165 2 -6 0 0 1478.75 45.6786 4 -6 0 0 1553.94 46.2827 2 -6 0 0 1536.65 45.7164 3 7 0 0 -0.1900 1.42664 4 7 0 0 2.19991 1.46045 3 7 0 0 -0.0421 1.77227 2 -7 0 0 -0.2179 1.37013 4 -7 0 0 0.87447 1.47216 3 -7 0 0 1.08320 1.70273 2 8 0 0 41.0900 3.37873 3 8 0 0 43.0701 4.43818 2 -8 0 0 47.1781 3.44582 4 8 0 0 36.6947 3.48113 4 -8 0 0 39.4801 3.43879 3 -8 0 0 43.4405 4.23315 2 -9 0 0 0.57547 2.19378 4 9 0 0 1.64410 2.01654 3 9 0 0 -1.3586 2.11379 4 -9 0 0 1.16511 2.67456 2 -9 0 0 -0.9274 1.86666 3 9 0 0 0.25847 2.73353 2 -10 0 0 2.19145 2.51236 3 -10 0 0 3.27299 2.54066 4 10 0 0 -1.0570 2.98382 2 10 0 0 -2.8933 2.29609 4 10 0 0 0.23008 2.21707 3 11 0 0 5.64824 2.69303 3 11 0 0 4.44748 3.05303 4 -11 0 0 6.35837 3.09753 4 11 0 0 3.84434 6.05379 2 -11 0 0 4.51708 3.03606 3 -1 -1 0 132.946 4.15239 2 -1 -1 0 138.901 4.21214 3 -1 1 0 125.812 4.04289 4 1 -1 0 128.247 4.25992 2 -1 -1 0 136.411 4.16930 4 1 -1 0 124.806 4.03151 4 1 1 0 132.428 4.15959 2 1 1 0 135.593 4.22938 3 1 -1 0 128.173 4.07881 3 1 1 0 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150.347 5.75566 3 -5 -1 0 162.499 5.73413 3 -5 -1 0 156.789 5.68180 4 -5 -1 0 158.574 6.03852 2 5 -1 0 154.729 5.55710 3 -5 1 0 157.452 5.60757 4 6 1 0 388.538 13.1308 3 -6 -1 0 417.184 13.5513 2 -6 1 0 410.871 12.9922 3 6 1 0 395.257 13.5836 2 -6 1 0 411.749 13.6772 2 6 -1 0 398.157 13.7015 2 -6 -1 0 348.848 14.4361 3 6 -1 0 393.547 12.9094 3 -6 1 0 395.474 12.9440 4 6 1 0 400.069 13.2050 4 -6 -1 0 410.567 13.0682 4 -7 1 0 16.4928 2.03798 3 7 1 0 20.7753 2.71406 2 -7 -1 0 22.0036 2.70788 2 -7 -1 0 20.3368 2.18897 3 7 1 0 18.2975 2.25383 3 7 -1 0 12.4382 2.38369 2 -7 1 0 21.3072 2.87957 2 -7 1 0 16.4155 2.03877 4 -7 -1 0 16.3535 2.10263 4 7 1 0 18.2361 2.40513 4 7 -1 0 17.7791 1.99705 3 8 1 0 122.105 5.60825 3 -8 -1 0 124.508 6.26672 2 -8 1 0 126.977 6.45565 2 8 -1 0 116.680 5.23320 3 -8 -1 0 112.921 5.50930 4 -8 1 0 115.577 5.32168 4 8 1 0 113.129 5.71934 4 -8 -1 0 126.285 5.50814 3 -8 1 0 117.372 5.38791 3 8 1 0 122.045 6.32278 2 8 -1 0 109.270 6.28569 2 9 -1 0 7.78241 2.04930 3 -9 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2.63067 2 8 -3 0 10.2908 1.82843 3 8 3 0 12.0245 2.66895 4 -8 3 0 12.4320 2.15183 3 8 3 0 11.3898 2.69604 2 8 3 0 10.3536 2.48271 3 -8 3 0 10.1848 3.06514 2 8 -3 0 10.2268 1.89483 4 -8 -3 0 14.0508 2.44324 3 -8 -3 0 16.8435 2.70495 2 -8 3 0 12.7158 2.04789 4 9 -3 0 105.520 4.81908 3 9 3 0 102.492 5.91098 4 -9 -3 0 103.591 5.65379 4 -9 -3 0 100.208 6.12368 2 -9 -3 0 93.7367 5.47115 3 9 3 0 105.129 5.91983 3 -9 3 0 98.0306 5.17564 4 9 3 0 100.526 6.22211 2 9 -3 0 96.4149 5.00291 4 -9 3 0 96.9758 5.13659 3 9 -3 0 110.867 6.80149 2 10 -3 0 61.1585 4.11664 3 -10 -3 0 63.8220 7.28992 2 10 3 0 59.0659 5.44738 4 10 3 0 64.5471 5.84550 2 -10 -3 0 57.3548 5.17869 3 10 3 0 59.8688 5.17543 3 10 -3 0 60.4741 6.31707 2 10 -3 0 53.1139 4.37849 4 -10 3 0 51.8894 4.52377 4 -10 -3 0 58.1879 5.10249 4 -10 3 0 62.9007 4.80334 3 11 -3 0 12.7681 2.54908 3 11 3 0 5.92032 3.37143 4 11 3 0 6.15507 3.28405 3 -11 3 0 6.09061 3.11819 3 -11 -3 0 4.63769 3.57140 4 11 -3 0 5.19424 4.17141 2 11 -3 0 7.84290 3.06896 4 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120.600 4.43078 2 4 -5 0 100.363 4.94416 2 4 5 0 114.834 4.77485 4 4 5 0 117.857 4.63250 2 -5 5 0 18.9098 1.66780 4 5 -5 0 19.9716 2.47107 2 -5 -5 0 19.7260 2.05101 2 5 5 0 18.9844 2.04657 2 5 5 0 19.3198 2.42447 3 5 5 0 19.3593 2.13864 4 -5 5 0 24.6890 2.00022 3 -5 -5 0 17.7251 1.91272 4 -5 5 0 19.6033 2.45453 2 -5 -5 0 15.9763 2.04816 3 5 -5 0 17.7541 1.75353 3 5 -5 0 17.6379 1.12204 4 5 -5 0 18.2167 1.04706 4 6 5 0 30.6717 2.99757 2 -6 5 0 32.2927 2.23533 4 6 -5 0 26.1363 1.71952 4 6 5 0 30.2332 3.04286 4 6 -5 0 32.2327 2.19484 3 6 5 0 29.3459 3.34956 3 -6 5 0 27.3311 2.44817 3 -6 -5 0 23.1222 2.59089 2 6 -5 0 23.0333 2.87163 2 -6 5 0 20.9416 2.79893 2 -6 -5 0 30.6146 2.96395 3 -6 -5 0 30.1515 2.77316 4 -7 -5 0 9.86981 2.26059 3 -7 5 0 6.80002 1.75359 3 -7 -5 0 6.41172 1.93016 2 7 5 0 6.62295 2.34962 3 7 -5 0 9.90220 1.54874 3 -7 5 0 8.44426 1.65985 4 7 5 0 7.19574 2.19116 2 -7 -5 0 7.05241 2.27374 4 7 5 0 7.40147 2.32412 4 7 -5 0 7.02238 1.33511 4 -7 5 0 8.75953 2.86661 2 7 -5 0 6.08371 2.39771 2 8 5 0 35.7099 4.14381 2 8 5 0 44.0380 4.25951 4 -8 5 0 36.6658 3.13288 4 8 -5 0 37.6748 2.87057 3 8 5 0 39.1301 4.40779 3 -8 -5 0 40.4629 4.05572 3 -8 5 0 31.7468 4.01569 2 -8 -5 0 40.2439 3.89176 4 8 -5 0 38.0143 4.68905 2 -8 -5 0 37.2687 3.87221 2 -8 5 0 38.1741 3.40180 3 8 -5 0 37.5585 2.72038 4 9 -5 0 164.181 6.44542 3 -9 5 0 166.275 7.00626 3 -9 -5 0 161.656 7.66079 3 9 5 0 166.680 8.04718 4 9 5 0 170.507 8.05257 2 -9 5 0 155.446 6.79970 4 -9 -5 0 157.930 7.67989 2 -9 -5 0 174.212 7.60517 4 9 -5 0 160.677 8.57177 2 9 5 0 173.111 8.23863 3 -10 5 0 19.6302 2.91152 4 10 -5 0 20.0560 2.48947 3 10 -5 0 23.8373 4.30553 2 -10 -5 0 19.1213 3.63721 2 10 -5 0 15.9323 2.54764 4 10 5 0 23.0061 4.00226 3 -10 -5 0 27.0529 3.73762 4 10 5 0 21.0685 3.76317 2 -10 5 0 17.5920 3.12592 3 10 5 0 19.5740 3.92256 4 11 5 0 4.84168 3.87493 4 -11 -5 0 3.21139 3.61178 4 11 -5 0 4.02796 2.23362 3 11 -5 0 2.09690 4.27147 2 -11 5 0 4.71971 2.91366 4 11 5 0 6.98487 3.73426 2 11 5 0 2.76324 3.60680 3 -11 5 0 10.3182 3.16871 3 0 6 0 1807.82 54.8736 4 0 6 0 1790.40 55.1768 2 0 6 0 1901.90 55.4837 3 1 6 0 567.133 18.1323 2 1 6 0 573.002 18.1104 4 -1 6 0 603.017 18.3288 3 -1 6 0 580.351 18.4371 3 1 6 0 568.392 18.5894 3 -1 6 0 579.533 17.6832 4 -1 6 0 657.858 18.5830 2 -2 6 0 98.4320 3.86129 3 -2 6 0 97.5642 4.24962 2 -2 -6 0 107.083 4.24450 3 2 6 0 102.207 3.87715 4 2 6 0 98.8008 3.76669 2 2 6 0 104.970 4.41792 3 -2 -6 0 96.1090 3.62544 2 3 6 0 3.47927 1.34613 3 -3 6 0 5.97517 1.07672 3 -3 6 0 4.44647 0.56537 4 -3 -6 0 7.89628 1.18144 4 -3 6 0 4.99276 1.42462 2 -3 -6 0 4.97543 1.29800 3 3 6 0 5.08207 1.31120 4 3 6 0 4.98735 1.07577 2 -3 -6 0 7.07214 0.98885 2 -4 6 0 36.4834 2.24557 3 4 -6 0 33.5380 2.93174 2 -4 -6 0 32.8195 2.34236 4 4 6 0 34.8293 2.37857 2 -4 -6 0 32.5331 2.08290 2 -4 6 0 31.2731 2.89144 2 -4 6 0 32.2619 1.64307 4 4 6 0 29.8853 2.93136 3 -4 -6 0 29.3720 2.66462 3 4 -6 0 33.3049 2.09837 3 4 6 0 29.9796 2.57117 4 -5 6 0 451.644 14.5795 3 -5 6 0 448.240 14.2121 4 -5 -6 0 465.315 15.0773 3 5 6 0 453.534 15.4512 3 -5 -6 0 472.400 14.8415 4 5 6 0 465.365 14.8422 2 -5 6 0 462.008 15.5613 2 5 -6 0 436.003 15.4788 2 5 -6 0 449.262 14.4033 3 -5 -6 0 450.359 14.6184 2 5 6 0 450.031 15.0811 4 -6 6 0 158.484 6.63643 3 6 -6 0 159.615 7.63710 2 -6 -6 0 190.351 7.21212 3 -6 6 0 176.940 6.29633 4 6 -6 0 176.453 6.37287 3 6 6 0 187.001 7.32731 4 6 6 0 176.827 7.64436 3 -6 -6 0 176.575 6.74022 2 -6 -6 0 194.993 7.03478 4 6 6 0 190.389 7.12890 2 -6 6 0 175.673 7.76467 2 -7 6 0 57.8558 3.58491 3 7 -6 0 51.9551 3.00310 3 -7 -6 0 46.5744 3.75804 4 7 6 0 47.2726 4.13176 4 7 -6 0 50.5178 2.24640 4 7 -6 0 54.4105 4.60935 2 7 6 0 52.0913 4.05776 2 7 6 0 50.1782 4.56340 3 7 -6 0 50.0418 2.12565 4 -7 6 0 46.8613 4.94420 2 -7 -6 0 44.6057 3.60311 2 -7 -6 0 47.2666 4.05043 3 8 -6 0 145.666 5.75269 3 -8 6 0 148.051 5.97399 4 -8 6 0 142.224 6.20339 3 -8 -6 0 155.672 6.97374 3 8 -6 0 138.855 5.00938 4 8 -6 0 137.421 7.50941 2 8 6 0 151.828 6.98743 2 -8 -6 0 138.202 6.54925 2 8 6 0 144.571 7.42896 3 8 6 0 150.084 7.19922 4 -8 -6 0 150.353 6.72046 4 8 -6 0 142.343 5.20889 4 9 -6 0 11.9830 1.79195 4 9 -6 0 11.3948 3.56625 2 -9 -6 0 14.1557 3.01376 2 -9 6 0 12.3493 2.44503 4 -9 -6 0 7.81989 3.06972 4 9 6 0 9.34026 3.25383 3 -9 6 0 13.7432 2.61307 3 9 -6 0 12.9062 2.04086 3 9 6 0 18.3026 3.41056 2 9 6 0 10.9641 3.21303 4 10 6 0 7.88082 3.63406 3 -10 -6 0 5.80838 3.50151 4 -10 6 0 5.80843 2.62476 4 10 6 0 5.11873 3.31363 2 10 -6 0 0.77690 3.78314 2 -10 6 0 4.64685 2.92502 3 10 -6 0 6.86139 2.07943 3 10 6 0 3.74728 3.68195 4 10 -6 0 3.83931 2.04412 4 -10 -6 0 2.04609 3.18750 2 0 7 0 4.45846 0.73403 4 0 7 0 5.96161 1.17941 2 0 7 0 5.09941 1.03624 2 0 7 0 4.64570 1.33491 3 1 7 0 15.2788 1.53779 2 1 7 0 15.1283 1.37814 4 -1 7 0 11.8357 2.21217 3 -1 7 0 15.2978 0.86621 4 -1 7 0 14.6224 1.75617 2 1 7 0 16.7966 1.96888 3 -1 7 0 18.6352 1.93801 3 -1 7 0 16.2721 1.90562 2 2 7 0 1.35998 1.02146 4 -2 7 0 0.24038 1.25242 2 -2 -7 0 3.84423 1.26573 3 -2 -7 0 3.00583 0.86517 2 2 7 0 1.86024 1.36746 3 2 7 0 1.68029 0.97026 2 -2 7 0 2.23608 1.24596 3 -3 -7 0 250.386 8.08644 4 -3 7 0 227.592 7.34770 4 3 7 0 231.027 8.77494 3 3 7 0 240.043 8.31837 4 -3 -7 0 244.311 8.56433 3 -3 7 0 251.922 8.86303 2 3 7 0 242.566 8.09916 2 -3 7 0 225.373 8.49211 3 -3 -7 0 253.212 7.95816 2 -4 7 0 30.9188 3.27806 2 -4 7 0 34.3696 1.63543 4 -4 -7 0 44.6664 2.94556 3 4 7 0 35.2590 3.29591 3 -4 -7 0 32.8844 2.42909 4 -4 -7 0 30.9918 2.14008 2 4 7 0 33.3539 2.73635 4 4 7 0 34.3806 2.49249 2 -4 7 0 22.5827 3.09977 3 -5 -7 0 27.4713 3.04153 3 -5 7 0 29.0343 3.61771 2 -5 -7 0 29.1011 2.32868 2 5 -7 0 23.0719 2.78958 2 5 -7 0 28.5600 2.29319 3 5 7 0 28.7223 3.52939 3 -5 -7 0 31.7679 2.72420 4 -5 7 0 30.4446 1.85044 4 -5 7 0 28.7198 2.52351 3 5 7 0 27.7479 3.01799 4 5 7 0 30.1093 2.71197 2 -6 7 0 16.8554 2.87252 2 6 7 0 17.3094 2.87142 3 6 7 0 14.4252 2.64988 4 -6 7 0 15.4366 2.08979 3 -6 7 0 15.3728 1.57440 4 -6 -7 0 10.9634 1.79769 2 6 -7 0 14.8669 1.76437 3 -6 -7 0 13.5109 2.14847 4 6 7 0 14.1798 2.18899 2 -6 -7 0 15.1502 2.40623 3 6 -7 0 8.92130 2.46304 2 -7 7 0 58.9456 3.24996 4 -7 7 0 52.5478 3.79586 3 7 7 0 55.1513 4.57014 4 7 7 0 61.7012 5.13371 3 7 -7 0 53.2165 4.80837 2 -7 -7 0 57.7673 4.55140 3 -7 7 0 52.4582 5.34206 2 -7 -7 0 50.5008 4.03557 4 7 -7 0 57.2775 3.28590 3 -7 -7 0 53.9613 3.79906 2 7 7 0 56.4044 4.20665 2 -8 7 0 18.3816 2.72308 3 -8 -7 0 17.5802 3.00481 4 -8 -7 0 19.2558 2.79342 2 8 7 0 24.5014 3.60875 4 8 -7 0 24.1640 2.77826 3 8 7 0 25.3661 3.19848 2 8 7 0 25.5458 3.70392 3 -8 -7 0 14.8242 3.39618 3 8 -7 0 20.2460 3.81617 2 -8 7 0 21.6236 2.38820 4 -9 -7 0 113.585 6.57212 4 9 -7 0 118.786 5.21365 3 9 7 0 118.096 7.55033 3 9 7 0 127.106 7.18474 4 9 -7 0 109.985 3.97484 4 -9 7 0 106.923 6.01159 3 -9 -7 0 132.712 6.60868 2 9 7 0 133.396 6.86652 2 -9 7 0 108.987 5.49008 4 10 7 0 -0.6619 3.20059 2 -10 -7 0 -3.9132 3.15366 2 -10 7 0 0.70117 2.44619 4 -10 7 0 0.39054 2.99714 3 10 7 0 0.51988 3.73010 4 10 -7 0 3.08021 1.39037 4 10 -7 0 3.39006 3.93531 2 10 -7 0 -0.1009 1.94327 3 0 8 0 545.282 17.1244 4 0 8 0 548.339 17.5245 2 0 8 0 569.435 17.6687 2 0 8 0 571.068 17.9778 3 -1 8 0 130.648 5.29299 3 1 8 0 121.672 5.53033 3 1 8 0 126.301 4.77504 4 -1 8 0 129.684 4.31027 4 1 8 0 127.607 4.88090 2 -1 8 0 140.129 5.19353 2 -1 8 0 149.097 5.48528 2 -1 8 0 140.452 5.19154 3 2 8 0 53.5151 3.54802 3 -2 -8 0 48.6235 2.47604 2 2 8 0 50.7489 3.55998 2 -2 8 0 47.8335 2.90135 3 -2 8 0 49.7936 3.29802 2 2 8 0 52.2312 2.77455 4 -3 -8 0 32.9994 2.22529 2 -3 -8 0 46.3234 3.16002 3 -3 8 0 52.1859 3.57171 2 -3 8 0 42.1635 2.72030 3 3 8 0 36.3969 2.76233 4 3 8 0 37.7797 3.39664 3 -4 -8 0 55.1090 2.82425 2 -4 -8 0 58.6302 3.69813 3 -4 8 0 60.3627 4.29714 2 4 8 0 54.7889 4.08553 3 -4 8 0 55.0730 2.18224 4 -4 8 0 58.7584 3.31264 3 4 8 0 56.9190 3.19813 2 -4 -8 0 55.7102 3.15132 4 4 8 0 56.9844 3.59877 4 5 8 0 204.890 7.90717 4 -5 8 0 185.458 6.54980 4 -5 8 0 191.567 8.50943 2 5 8 0 209.673 8.48395 3 -5 -8 0 208.533 7.14625 2 -5 8 0 198.322 7.41478 3 5 8 0 205.775 7.43804 2 -5 -8 0 197.408 7.94448 3 -5 -8 0 203.290 7.44341 4 -6 8 0 15.2337 2.25007 3 -6 8 0 17.7677 1.90339 4 -6 -8 0 14.1002 2.22074 4 6 8 0 18.2937 3.30849 3 -6 -8 0 13.1038 2.00269 2 -6 -8 0 19.1904 2.78882 3 -6 8 0 15.2390 3.06274 2 6 8 0 15.1235 2.66305 4 6 8 0 23.7153 2.98002 2 -7 8 0 34.4487 2.64300 4 -7 8 0 36.4879 3.59170 3 7 -8 0 39.3323 3.06275 3 7 8 0 36.6293 3.78306 2 -7 -8 0 38.7161 3.40241 2 -7 8 0 37.2605 6.56372 2 7 8 0 37.3690 4.34038 3 7 -8 0 40.1906 4.89864 2 -7 -8 0 31.4668 3.83535 4 -7 -8 0 36.6428 4.31483 3 7 8 0 41.2813 4.39087 4 -8 8 0 41.3266 4.08808 3 8 8 0 35.6786 4.18110 2 -8 -8 0 36.3407 4.27570 4 8 8 0 34.1582 4.25737 3 -8 -8 0 35.1570 3.91328 2 8 -8 0 31.6770 4.32709 2 -8 8 0 39.8408 3.09459 4 8 8 0 44.6820 5.09297 4 8 -8 0 36.3821 3.21083 3 9 8 0 5.12687 3.00281 2 9 8 0 1.37934 3.35660 3 -9 8 0 3.57751 2.75687 3 9 8 0 10.3227 3.58788 4 9 -8 0 11.0643 4.09305 2 9 -8 0 7.64867 2.14436 3 -9 8 0 7.38477 2.19134 4 -9 -8 0 2.89010 2.69299 2 10 8 0 -3.2098 3.73087 3 10 8 0 5.31030 3.84270 4 -10 8 0 1.83730 3.07041 3 10 -8 0 -4.3205 4.06518 2 -10 8 0 -2.5777 2.41569 4 10 -8 0 -3.5590 2.03807 3 -10 -8 0 -0.3041 3.36884 2 10 8 0 -0.1929 3.22206 2 0 9 0 5.53911 1.32833 2 0 9 0 5.64092 1.00673 4 0 9 0 6.09170 1.76184 3 0 9 0 5.13891 1.48097 2 -1 9 0 45.8717 1.97718 4 -1 9 0 48.1417 2.92713 2 1 9 0 47.0565 2.69417 2 1 9 0 44.5648 3.56822 3 -1 9 0 45.0963 4.91506 2 -1 9 0 46.8185 2.99576 3 -1 9 0 44.5250 3.18482 3 1 9 0 48.4901 2.52670 4 2 9 0 10.9351 1.51461 2 -2 9 0 6.77044 1.59832 3 2 9 0 8.16022 1.52881 4 -2 9 0 5.25534 1.66094 2 -2 9 0 6.78624 0.69473 4 -2 9 0 5.90012 1.90148 2 -2 9 0 5.27193 1.71090 3 2 9 0 8.01215 2.12511 3 3 9 0 319.684 12.5131 3 -3 -9 0 343.067 11.4157 2 -3 9 0 366.281 11.9302 3 3 9 0 353.755 11.9596 4 3 9 0 363.398 11.6784 2 -3 9 0 384.282 12.6651 2 -4 9 0 21.9356 1.21539 4 4 9 0 26.2876 2.57091 2 -4 -9 0 21.5844 2.15455 2 -4 -9 0 15.7547 2.30156 3 4 9 0 24.9123 2.93995 4 -4 9 0 22.9755 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441.778 13.6325 4 -3 -6 3 433.927 14.0130 3 -3 6 -3 418.013 13.0934 4 -3 6 -3 430.107 13.2237 3 3 6 3 428.661 13.9475 2 3 -6 -3 415.092 13.6464 3 -3 6 -3 402.515 13.2427 3 -4 6 3 65.8174 2.76903 4 -4 6 3 68.3500 3.55219 3 4 -6 3 65.6803 3.96020 2 4 6 -3 63.5971 2.60962 2 4 6 -3 63.7160 4.08017 3 -4 6 3 69.0755 4.22701 2 4 6 -3 65.2138 3.58776 4 -4 -6 -3 75.1336 3.60748 2 -4 6 -3 52.3019 2.36983 3 -4 6 -3 53.6350 2.34965 3 4 6 3 55.9019 3.42211 2 4 6 3 54.7859 3.42433 3 -4 -6 3 45.5822 2.09971 2 4 -6 -3 48.1332 2.87909 3 -4 -6 3 50.6777 3.29409 3 4 6 3 58.7644 3.22027 4 -4 -6 3 55.7279 3.10052 4 -4 6 -3 47.8410 3.48773 2 5 -6 3 88.0033 5.00711 2 5 6 -3 94.1153 4.58867 4 -5 6 3 94.3314 4.43271 3 5 6 -3 90.8711 5.06445 3 5 -6 3 90.2170 3.06492 4 5 6 -3 92.9949 3.72029 2 -5 6 3 90.8106 3.70329 4 5 -6 3 89.3682 3.43183 4 -5 -6 -3 89.4648 4.33679 3 -5 -6 -3 91.5805 4.43196 2 -5 6 3 93.4321 5.05205 2 5 -6 -3 103.853 4.40116 3 -5 -6 3 95.9731 3.82086 2 -5 -6 3 104.885 4.65294 4 -5 6 -3 103.891 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120.917 4.61872 3 -5 8 -3 119.124 6.25724 2 5 -8 -3 119.636 5.21589 3 -5 -8 3 117.609 5.27465 4 -5 -8 3 106.904 4.08012 2 -5 -8 3 111.734 5.83595 3 5 8 3 122.193 6.16449 3 -5 8 -3 123.947 4.70349 3 5 8 3 119.112 5.67532 4 6 8 -3 96.5969 6.03396 3 6 -8 3 80.5455 5.43749 2 -6 8 3 89.2779 5.08310 3 6 8 -3 79.7141 4.23403 2 -6 8 3 90.9529 3.89384 4 6 8 -3 96.0380 5.26257 4 -6 -8 -3 90.2350 4.82377 2 -6 8 3 86.8570 5.98402 2 -6 8 -3 102.643 4.23128 3 6 8 3 111.368 6.19761 3 6 -8 -3 104.708 4.98514 3 -6 8 -3 107.290 6.32441 2 6 8 3 112.387 5.80210 2 -6 8 -3 103.269 4.40603 3 -6 -8 3 103.552 5.83472 3 -6 -8 3 100.837 4.11566 2 -6 -8 3 111.115 5.32796 4 6 8 3 99.9855 5.53294 4 7 8 -3 12.6613 3.19958 3 7 -8 3 17.9139 3.56219 2 7 8 -3 17.5152 2.17031 2 -7 -8 -3 14.4373 2.70673 2 -7 8 3 14.5852 2.84188 3 -7 8 3 14.0021 2.01125 4 7 8 -3 14.4609 2.95170 4 7 8 3 13.1352 3.17642 3 7 8 3 21.5698 3.31900 2 7 -8 -3 17.8473 2.45031 3 -7 -8 3 18.1196 1.96994 2 -7 -8 3 18.7086 3.11541 4 -7 8 -3 17.9465 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391.467 12.9201 2 0 -6 5 389.822 12.3054 4 -1 -6 -5 230.734 7.92272 2 -1 6 5 219.145 7.18609 4 1 -6 5 211.489 7.12671 4 1 6 -5 233.219 8.04399 3 1 -6 5 218.355 7.35001 3 1 -6 5 200.367 7.46733 2 -1 6 5 220.091 8.00597 2 -1 6 5 225.202 7.79054 3 1 6 -5 220.125 7.51700 4 -1 -6 5 262.418 8.62560 3 1 6 5 259.613 8.91345 2 -1 6 -5 239.647 8.37509 3 1 -6 -5 245.043 8.55423 3 -1 -6 5 263.763 8.28939 4 1 6 5 249.028 8.51839 3 -1 6 -5 238.079 8.27817 2 -1 6 -5 231.004 8.09452 4 2 6 -5 157.757 6.48018 3 -2 -6 -5 163.467 6.20641 2 2 -6 5 160.364 5.34269 4 -2 6 5 165.222 5.50387 4 -2 6 5 162.970 6.41600 2 2 -6 5 153.695 6.03727 2 2 6 -5 160.079 5.97134 4 -2 6 5 162.060 6.16437 3 2 -6 -5 154.112 5.73003 3 2 6 5 147.415 6.05234 2 -2 -6 5 156.262 5.95209 3 -2 -6 5 155.639 5.56864 4 -2 6 -5 144.233 5.16790 4 2 6 5 152.316 5.88205 3 2 6 5 156.068 5.66331 3 -2 6 -5 148.881 5.72395 2 -2 6 -5 130.370 6.39970 3 -3 -6 -5 139.335 5.46389 2 3 -6 5 124.661 4.37146 4 -3 6 5 123.071 5.34669 3 3 -6 5 133.442 5.53900 2 3 6 -5 124.631 5.24043 4 3 -6 5 131.370 4.39570 4 -3 6 5 126.489 5.62252 2 3 6 -5 131.758 5.85194 3 -3 6 5 128.979 4.66289 4 -3 -6 5 159.323 6.33436 3 3 6 5 149.697 6.14604 3 -3 6 -5 150.766 5.34503 3 3 6 5 155.137 5.95482 4 -3 6 -5 159.625 5.21144 3 -3 -6 5 157.256 5.90524 4 -3 6 -5 156.525 5.43952 4 3 -6 -5 153.061 5.97704 3 -3 6 -5 162.058 6.31051 2 3 6 5 159.379 6.43309 2 3 6 5 158.442 5.89678 3 -4 -6 -5 112.467 4.96897 2 4 6 -5 98.2565 4.73531 4 4 -6 5 100.947 3.70772 4 4 -6 5 103.872 3.67657 4 -4 6 5 102.921 5.30386 2 4 6 -5 105.588 5.38884 3 -4 6 5 100.307 5.04508 2 4 -6 5 99.6877 5.12972 2 -4 6 5 102.032 4.08028 4 -4 6 5 104.411 4.85666 3 -4 6 -5 97.5043 3.69117 3 4 -6 -5 108.867 4.65631 3 -4 6 -5 104.737 5.13330 2 4 6 5 111.492 5.28817 2 4 6 5 113.237 4.86092 4 4 6 5 111.322 4.99983 3 -4 -6 5 101.082 4.62395 4 -4 6 -5 104.203 3.61469 3 -4 -6 5 104.442 5.12059 3 -5 6 5 38.5294 2.51904 4 5 6 -5 34.3183 3.69560 3 5 -6 5 32.4850 1.87119 4 5 -6 5 28.8049 1.93643 4 -5 6 5 37.7719 3.94739 2 -5 -6 -5 33.4993 3.29815 2 -5 6 5 29.7236 3.29307 3 5 6 -5 29.5142 3.11053 4 5 -6 5 27.0554 3.13346 2 5 6 5 23.5644 2.90100 2 -5 -6 5 22.3044 1.64257 2 -5 -6 5 18.6644 2.56038 3 -5 -6 5 29.4235 2.73568 4 -5 6 -5 22.0930 2.78889 2 5 6 5 25.1011 2.78698 3 5 6 5 25.5276 3.00409 4 5 -6 -5 25.5283 2.67785 3 6 -6 5 127.000 6.57629 2 -6 6 5 125.003 6.74015 2 -6 -6 -5 127.090 5.98450 2 6 6 -5 117.229 5.89573 4 6 -6 5 126.893 4.67617 4 6 -6 5 127.322 4.50135 4 -6 6 5 116.651 5.96031 3 6 6 -5 118.366 6.42997 3 -6 6 5 120.498 5.13970 4 6 -6 -5 104.658 3.70074 4 6 6 5 104.953 5.84518 2 6 6 5 106.483 5.42821 4 6 -6 -5 98.5989 4.90941 3 6 6 5 102.407 5.47241 3 -6 -6 5 104.579 5.20608 4 -6 6 -5 106.848 5.98418 2 -6 -6 5 96.4877 5.67983 3 -6 -6 5 97.0567 4.11721 2 7 6 -5 9.78625 2.74105 4 7 6 -5 6.21685 2.86931 3 -7 6 5 5.02547 3.20287 2 -7 6 5 3.90771 2.48974 3 -7 -6 -5 6.40915 2.56700 2 7 -6 5 3.48808 2.79714 4 7 -6 5 6.81020 2.82503 2 -7 6 5 5.78819 1.89951 4 7 -6 5 4.86643 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5 87.6312 3.06563 4 -4 -7 5 106.920 5.18654 3 -4 7 -5 110.156 5.37559 2 -4 -7 5 114.036 4.81725 4 -4 7 -5 104.116 3.83396 3 4 -7 -5 105.130 4.77432 3 4 7 5 105.984 5.28669 3 -4 7 -5 93.8755 3.91908 3 4 7 5 104.524 4.97573 4 4 7 5 107.190 5.38681 2 -5 7 5 274.567 10.5196 2 -5 -7 -5 265.646 9.71137 2 -5 7 5 267.114 9.80834 3 5 -7 5 243.691 8.09478 4 -5 7 5 262.610 8.80351 4 5 -7 5 246.566 8.13587 4 -5 7 5 254.175 10.0345 2 5 -7 5 248.649 10.0707 2 5 7 -5 269.625 10.4224 3 5 7 -5 273.036 9.74445 4 -5 7 -5 235.675 9.46658 2 5 7 5 243.993 8.99809 4 5 7 5 246.244 9.40480 2 5 -7 -5 241.459 8.70750 3 -5 7 -5 226.962 7.56205 3 -5 -7 5 241.830 8.78302 4 -5 7 -5 216.624 7.57780 3 5 7 5 233.828 9.16359 3 -5 -7 5 250.795 9.30421 3 -6 7 5 8.15976 2.99863 2 6 -7 5 8.22123 1.18715 4 6 -7 5 8.45254 2.82710 2 6 -7 5 8.80518 1.07292 4 6 7 -5 5.78986 2.58644 3 -6 7 5 11.8223 2.54499 3 -6 -7 -5 6.41649 2.25000 2 6 7 -5 9.17105 2.46801 4 -6 7 5 10.1221 1.73924 4 6 7 5 13.6691 2.79191 4 6 -7 -5 10.1797 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97.8894 5.30329 4 -7 2 9 86.3586 5.32890 2 -7 2 9 85.8485 5.16734 4 7 -2 9 80.8430 6.17481 2 -7 2 9 88.2919 9.12250 3 7 2 9 80.3964 6.27787 2 7 2 9 83.7179 4.25234 3 7 2 9 88.2079 3.90907 3 -7 -2 9 86.6467 5.26564 2 7 2 9 85.7262 5.40941 4 -7 -2 9 98.0158 5.48875 4 -7 -2 9 84.5207 4.74469 2 7 -2 -9 88.4476 5.38916 3 8 2 -9 3.11472 2.90800 3 8 2 -9 5.83120 2.83950 4 8 -2 9 3.72208 3.63981 2 -8 2 9 6.78689 2.78010 4 -8 2 9 3.41769 2.53588 2 8 -2 9 -0.2974 1.70306 4 8 2 9 1.93511 2.91122 4 -8 -2 9 2.41617 2.67036 2 8 2 9 3.05641 2.40827 3 8 -2 -9 2.04140 2.12026 4 8 2 9 6.19940 3.53259 2 -8 -2 9 0.35108 2.90414 4 8 -2 -9 0.07117 2.49492 3 8 2 9 4.04332 1.95541 3 -8 -2 9 0.56349 2.21133 2 -9 2 9 53.1567 5.16889 2 9 -2 9 35.8942 5.05707 2 -9 2 9 47.6865 5.24582 4 9 2 -9 39.3826 4.69824 3 9 2 -9 49.6811 5.02499 4 9 2 9 36.5479 3.07073 3 -9 -2 9 40.9296 4.36932 2 9 2 9 31.7537 3.52061 3 9 2 9 38.7344 4.54501 4 -9 -2 9 39.3764 4.63854 2 9 -2 -9 41.9823 4.30255 4 9 2 9 28.5482 5.07354 2 -9 -2 9 37.3808 4.40418 4 -10 2 9 19.3354 3.80275 2 10 2 -9 18.3785 4.05601 4 10 2 -9 19.5223 4.10661 3 10 -2 9 22.6662 5.08927 2 10 2 9 23.9923 5.38350 2 -10 -2 9 18.0127 4.67175 4 10 -2 -9 15.8847 3.94272 3 -10 -2 9 17.1103 3.25852 2 10 2 9 13.9338 2.64017 3 10 2 9 13.7089 4.39787 4 0 3 -9 174.117 6.30516 4 0 -3 9 172.392 6.36328 3 0 -3 9 166.247 6.36237 2 0 3 -9 164.492 6.23425 3 0 3 9 172.794 6.29867 4 0 3 -9 180.912 6.31471 2 0 -3 -9 165.582 6.67929 2 0 3 9 169.909 6.89708 2 0 3 9 167.134 6.45341 3 0 -3 -9 161.390 6.22970 3 0 -3 9 170.903 6.35084 4 -1 -3 -9 225.418 8.36991 2 1 -3 9 223.736 7.69602 3 1 3 -9 216.181 8.04641 3 -1 3 9 226.010 8.16808 3 -1 3 9 218.380 8.38163 2 1 3 -9 219.980 7.68735 2 1 -3 9 236.652 7.92350 4 1 3 -9 222.987 7.93469 4 1 -3 9 219.900 8.09528 2 -1 3 9 229.831 7.93157 4 -1 -3 -9 221.056 7.75497 3 1 -3 -9 236.291 7.94541 4 -1 3 -9 231.433 7.84426 3 -1 3 -9 240.311 8.13800 4 1 -3 -9 239.605 8.23050 3 -1 3 -9 237.928 8.52389 2 -1 -3 9 236.283 8.47012 3 1 3 9 242.939 8.25035 3 1 3 9 228.554 8.14571 4 -1 -3 9 231.069 8.25452 4 -1 -3 9 219.632 8.03232 2 1 3 9 219.449 8.74752 2 1 -3 -9 234.517 8.60007 2 2 3 -9 116.889 5.33306 3 2 -3 9 127.595 4.97449 4 -2 3 9 114.900 4.98063 4 2 -3 9 127.187 4.55852 3 2 -3 9 127.795 5.52235 2 2 3 -9 118.711 5.08714 4 -2 -3 -9 134.309 5.56543 2 -2 3 9 123.987 5.50444 2 -2 3 9 117.237 5.38587 3 -2 -3 -9 120.215 4.84147 3 2 3 -9 121.648 4.71259 2 -2 3 -9 111.705 4.13997 3 2 -3 -9 115.291 5.18511 2 2 3 9 118.207 4.74708 3 2 -3 -9 109.088 4.90153 3 -2 -3 9 111.716 4.59500 2 2 3 9 118.099 4.78641 4 -2 -3 9 117.388 4.96422 4 -2 3 -9 118.257 5.15322 2 -2 3 -9 121.211 4.75360 4 2 3 9 114.157 5.47707 2 -2 -3 9 112.144 5.23217 3 -3 -3 -9 462.631 15.8179 2 3 -3 9 455.883 14.3414 3 3 3 -9 479.587 15.3978 4 3 -3 9 478.122 15.8280 2 -3 3 9 456.858 15.2599 4 3 3 -9 458.790 15.6882 3 3 -3 9 473.498 15.0987 4 -3 3 9 471.653 15.7254 2 -3 3 9 467.329 15.6664 3 3 3 9 426.376 15.3368 2 -3 3 -9 459.075 15.0855 2 3 -3 -9 445.328 14.7801 3 -3 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5.91539 2 -5 -3 9 109.559 4.70793 2 -5 -3 9 113.293 5.44021 4 5 -3 -9 105.371 5.29837 3 5 3 9 107.059 4.44011 3 5 3 9 106.592 4.72233 3 -6 3 9 38.9260 4.33431 3 6 -3 9 42.3992 4.88023 2 6 3 -9 43.4801 4.37976 3 6 -3 9 42.1345 3.29063 4 -6 3 9 37.1559 4.72842 2 -6 3 9 48.2289 3.79999 4 -6 -3 -9 49.3857 4.67842 2 -6 3 9 42.8777 4.09691 2 6 3 -9 44.6344 3.96938 4 -6 -3 9 49.1501 4.23345 4 -6 -3 9 51.8219 3.78032 2 -6 3 -9 48.1475 4.93187 2 6 3 9 47.7128 3.40713 3 6 -3 -9 50.7909 3.33512 4 -6 -3 9 51.6291 3.47319 2 6 3 9 52.3334 3.04988 3 6 3 9 55.0024 5.09997 2 6 -3 -9 45.9074 4.05179 3 -6 -3 9 42.9345 4.62522 3 6 3 9 50.5154 4.19157 4 -7 3 9 9.97213 3.38635 2 7 -3 9 10.9273 2.51533 4 7 3 -9 8.70045 2.91324 3 7 -3 9 9.23461 3.13511 2 -7 3 9 9.69557 2.64703 2 7 3 -9 12.7350 2.91651 4 7 -3 9 8.92375 2.16275 4 -7 3 9 9.43946 2.44151 4 -7 -3 9 14.0202 2.27815 2 -7 -3 9 12.1341 2.54771 2 7 3 9 16.1565 3.22990 4 7 -3 -9 12.6207 2.29265 4 7 -3 -9 16.6154 3.01159 3 7 3 9 17.9442 2.43344 3 -7 -3 9 15.0534 3.06847 4 7 3 9 12.7422 3.52702 2 7 3 9 13.7330 1.89365 3 -8 3 9 6.21055 2.69960 4 8 3 -9 3.26989 3.13284 3 8 -3 9 2.74502 3.70041 2 -8 3 9 3.35899 2.60439 2 8 -3 9 5.14783 2.59814 4 8 3 -9 7.44637 3.07593 4 8 3 9 9.46889 3.17591 4 8 3 9 4.20798 3.70884 2 8 -3 -9 8.30304 2.24553 4 8 -3 -9 9.34415 2.75628 3 8 3 9 8.97908 1.90630 3 -8 -3 9 5.80532 2.79984 2 -8 -3 9 7.37959 2.24197 2 -8 -3 9 7.47963 3.22212 4 8 3 9 3.81618 2.28057 3 -9 3 9 49.0854 5.26205 4 9 -3 9 48.5300 4.96534 4 9 3 -9 53.0271 6.02360 3 9 -3 9 51.1814 6.42639 2 9 3 -9 50.0066 5.46661 4 -9 3 9 50.7387 5.42739 2 9 3 9 59.2591 4.50132 3 9 3 9 46.7527 5.62499 4 9 -3 -9 49.2591 5.94508 3 -9 -3 9 62.3323 5.86815 2 9 -3 -9 55.7775 4.63735 4 -9 -3 9 60.4358 6.07266 4 9 3 9 58.4190 3.83649 3 -9 -3 9 66.5986 4.77206 2 9 3 9 61.0626 6.69989 2 -10 3 9 17.6319 3.88546 2 10 3 -9 22.1938 4.20604 4 10 -3 9 19.8766 5.16380 2 10 3 -9 14.8267 4.36364 3 10 3 9 23.5482 3.27106 3 10 -3 -9 16.7025 3.69119 3 -10 -3 9 27.2479 5.07903 4 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147.279 5.51975 4 -2 4 9 132.209 5.98523 2 2 4 -9 132.186 5.55504 4 -2 -4 -9 130.039 5.98952 2 2 4 -9 138.768 5.90627 3 2 4 -9 131.422 4.93154 2 -2 4 9 136.934 5.84527 3 2 -4 9 139.150 5.32476 4 2 -4 -9 149.729 6.18946 2 -2 4 -9 136.869 5.07726 3 -2 4 -9 142.973 5.55558 4 -2 4 -9 144.960 5.98612 2 2 4 9 142.190 5.64775 4 2 -4 -9 146.555 5.32367 4 2 4 9 133.762 6.46262 2 2 -4 -9 149.612 5.84673 3 2 4 9 151.314 5.74793 3 -2 -4 9 144.509 6.14514 3 -2 -4 9 150.069 5.90945 4 -2 -4 9 141.499 5.34304 2 3 4 -9 8.15157 2.06908 3 -3 4 9 10.3298 2.15824 2 -3 4 9 12.8911 2.33020 3 3 -4 9 10.0356 1.18994 3 -3 4 9 12.8874 1.86706 4 3 -4 9 11.1472 1.68469 4 3 4 -9 11.5680 1.92032 4 -3 -4 -9 12.4893 2.29324 2 3 -4 9 9.31391 2.18917 2 3 4 9 5.82179 1.48443 3 3 4 9 5.16337 2.16845 2 -3 -4 9 4.82603 1.71906 4 3 -4 -9 6.21963 1.28098 4 3 4 9 6.14793 1.62636 4 -3 4 -9 4.60972 1.56711 4 -3 4 -9 5.16533 0.79052 3 -3 4 -9 5.78825 1.88133 2 3 -4 -9 3.50065 1.60382 3 -3 -4 9 6.34552 1.95881 3 -3 -4 9 4.04301 1.19742 2 4 4 -9 76.2642 4.80382 3 4 -4 9 87.3876 5.06471 2 4 -4 9 82.2639 3.91272 4 -4 4 9 79.9662 4.70976 2 -4 4 9 80.3125 4.13789 4 -4 -4 -9 82.5124 4.83134 2 4 4 -9 86.8929 4.48361 4 -4 4 9 78.3183 4.82279 3 -4 -4 9 75.8485 3.60271 2 -4 -4 9 77.2714 3.53522 2 4 -4 -9 78.3730 4.36697 3 -4 4 -9 74.3068 4.68926 2 4 4 9 82.4669 3.83880 3 -4 -4 9 82.7376 4.43289 4 -4 -4 9 80.3155 4.91906 3 4 4 9 80.1145 4.04981 3 4 4 9 78.7939 4.03916 4 4 4 9 76.2159 4.98232 2 4 -4 -9 76.7337 3.58376 4 -5 4 9 34.8661 4.21864 2 -5 4 9 28.1168 3.29292 3 5 -4 9 30.8838 2.71696 4 -5 4 9 25.2537 3.19769 2 5 -4 9 28.9818 3.56888 2 5 4 -9 27.5099 3.31555 4 5 -4 9 25.3009 2.62763 4 -5 4 9 27.0720 2.97393 4 -5 -4 -9 30.5553 3.92934 2 5 4 -9 28.5563 3.35063 3 -5 -4 9 47.1758 3.86146 4 5 4 9 38.0257 3.59072 4 -5 4 -9 39.1141 4.17267 2 -5 -4 9 40.5456 2.76572 2 -5 -4 9 42.1718 3.02585 2 5 4 9 43.9578 2.93359 3 5 -4 -9 37.3418 2.75707 4 5 4 9 40.4141 4.30199 2 5 4 9 42.7761 3.30083 3 5 -4 -9 37.6454 3.65423 3 -5 -4 9 49.8793 4.42166 3 -6 4 9 73.1845 4.52305 4 6 -4 9 79.5796 5.84179 2 6 -4 9 83.0197 4.15276 4 6 -4 9 70.9467 4.27208 4 -6 4 9 83.4776 5.16809 2 -6 -4 -9 76.7137 5.55613 2 -6 4 9 77.7936 5.82601 2 -6 4 9 83.0573 5.55432 3 6 4 -9 77.2999 5.63940 3 6 4 -9 82.4859 5.04661 4 -6 -4 9 89.7411 5.85979 3 6 4 9 99.3677 4.42443 3 -6 -4 9 92.9476 4.62540 2 6 4 9 88.5552 4.75909 3 6 -4 -9 96.0237 4.40333 4 6 -4 -9 95.7191 5.36537 3 6 4 9 93.3068 6.28972 2 6 4 9 102.194 5.53968 4 -6 4 -9 86.8064 5.96759 2 -6 -4 9 90.9784 4.37079 2 -6 -4 9 92.6826 5.38583 4 -7 4 9 125.158 6.09983 4 7 -4 9 110.287 5.54685 4 7 4 -9 115.543 6.30304 4 7 -4 9 115.509 7.25689 2 -7 4 9 116.598 6.49132 2 7 4 -9 122.023 6.85696 3 7 -4 -9 110.255 5.06022 4 7 4 9 105.731 5.50701 3 -7 -4 9 108.585 5.55078 2 7 4 9 113.415 5.02304 3 -7 -4 9 114.008 5.18240 2 7 -4 -9 109.600 6.05810 3 -7 -4 9 116.835 6.33475 4 7 4 9 121.057 6.36612 4 7 4 9 105.641 7.03433 2 8 4 -9 36.6455 4.26630 4 -8 4 9 45.1987 4.97391 2 8 4 -9 38.6764 4.62280 3 8 -4 9 37.5354 4.12397 4 -8 4 9 36.5534 4.16651 4 8 -4 9 37.5828 4.79250 2 8 4 9 33.2701 4.00093 3 -8 -4 9 38.7099 4.33065 2 8 -4 -9 33.6068 3.85414 3 8 4 9 35.4846 4.31832 4 -8 -4 9 32.4065 3.46615 2 8 4 9 36.6465 4.99989 2 8 -4 -9 34.0322 3.53528 4 8 4 9 37.0654 3.40401 3 -8 -4 9 37.7707 4.08249 4 9 4 -9 18.9522 4.43352 3 -9 4 9 18.9259 3.63918 2 9 -4 9 20.8701 4.69847 2 9 4 -9 18.8950 3.77723 4 9 -4 9 15.9935 3.23624 4 -9 4 9 21.9245 3.69609 4 9 -4 -9 26.3628 3.06858 4 9 4 9 21.6884 2.70534 3 9 4 9 18.3246 4.15526 4 -9 -4 9 17.1657 4.32513 4 9 4 9 23.2512 3.33637 3 9 -4 -9 20.9973 3.86469 3 9 4 9 18.9383 4.73768 2 -9 -4 9 20.2455 2.98695 2 -9 -4 9 25.6161 3.83339 2 0 -5 9 81.2280 3.99225 3 0 5 9 75.0656 4.56442 2 0 5 -9 84.4776 3.65278 2 0 -5 9 82.1261 3.79812 2 0 5 9 83.1713 4.25014 3 0 5 9 77.4222 3.81950 4 0 -5 -9 85.5648 4.01222 3 0 -5 -9 81.3931 4.42556 2 0 5 -9 82.5993 4.03513 3 0 -5 9 84.6681 3.93898 4 0 5 -9 83.3892 3.94045 4 1 5 -9 104.971 4.10533 2 -1 5 9 107.718 5.02600 3 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3.22906 2 7 4 -10 24.0465 3.44511 4 7 -4 10 21.5945 2.92243 4 7 -4 10 15.1599 3.68247 2 7 4 -10 18.5463 3.41444 3 -7 4 10 18.3062 2.98735 4 -7 -4 10 18.9252 2.42697 2 7 -4 -10 25.0155 3.39505 3 -7 -4 10 25.0401 2.95665 2 7 4 10 18.4916 3.63091 4 7 4 10 22.5642 4.32873 2 -7 -4 10 20.2113 3.55711 4 7 4 10 22.2622 2.85942 3 7 -4 -10 18.0358 2.45829 4 7 4 10 22.6040 2.46630 3 -8 4 10 16.7669 3.31651 4 8 -4 10 8.14796 5.71642 2 8 4 -10 23.6791 3.81740 4 8 4 -10 22.9069 4.26401 3 -8 4 10 24.8786 3.78715 2 8 -4 10 22.0832 3.21573 4 8 4 10 24.1010 2.75083 3 -8 -4 10 17.5564 3.66070 4 8 4 10 25.3039 5.54193 2 -8 -4 10 24.0750 2.93061 2 -8 -4 10 24.2700 3.33542 2 8 4 10 15.3867 2.96469 3 8 4 10 28.0762 4.22119 4 8 -4 -10 23.9589 2.79148 4 9 -4 10 20.7935 5.18514 4 9 4 -10 25.8583 4.59397 3 9 -4 10 26.6303 5.18721 2 -9 4 10 28.0385 4.14089 4 -9 4 10 30.1735 4.31008 2 9 4 -10 25.2177 4.28839 4 -9 -4 10 20.1562 3.06562 2 9 4 10 21.4311 3.34158 3 -9 -4 10 24.1405 4.09355 2 9 4 10 14.6021 4.99122 2 9 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58.3696 6.69277 2 -8 5 10 67.3982 5.33741 4 8 5 -10 69.9211 5.88370 4 -8 -5 10 70.4744 4.37137 2 8 -5 -10 72.3958 5.71801 3 -8 -5 10 70.4218 6.28553 4 8 -5 -10 82.5762 4.50655 4 8 5 10 77.6033 4.81495 3 -8 -5 10 75.3924 5.20255 2 8 5 10 77.2184 5.42323 3 8 5 10 68.5374 6.15523 4 8 5 10 72.5316 7.26351 2 -9 5 10 16.4800 3.80326 2 9 5 -10 19.2060 4.33319 4 -9 5 10 19.8328 3.90111 4 9 -5 10 28.1668 5.27980 2 9 5 -10 18.9865 4.64576 3 9 5 10 17.7043 4.50731 4 9 5 10 16.2449 3.16875 3 9 -5 -10 26.2546 4.04314 3 -9 -5 10 24.3194 3.01058 2 9 5 10 26.5165 5.36894 2 -9 -5 10 23.6626 5.06814 4 9 5 10 30.0103 3.91116 3 0 -6 -10 5.32003 1.99136 2 0 -6 10 5.33069 1.55218 2 0 -6 -10 5.80600 1.91205 3 0 -6 10 3.32117 1.87828 3 0 6 10 3.70390 2.17574 2 0 6 -10 6.12562 1.75354 4 0 6 10 3.96603 1.58075 4 0 6 10 7.13618 2.12543 3 0 -6 10 4.79525 1.71253 4 0 6 -10 5.51382 1.44778 2 0 6 -10 5.49535 1.87131 3 -1 6 10 116.613 5.04434 4 1 -6 10 112.092 5.10346 2 1 6 -10 107.473 4.36965 2 1 6 -10 112.935 5.48485 3 1 6 -10 109.994 5.06746 4 -1 -6 -10 118.859 5.77109 2 -1 6 10 110.143 5.84630 2 -1 6 10 104.166 5.56806 3 1 -6 10 115.923 4.95990 4 1 -6 10 118.934 4.88109 3 1 6 10 111.744 4.93268 4 -1 6 -10 110.048 4.92707 4 1 -6 -10 112.510 5.22458 3 1 6 10 107.503 5.27565 3 -1 6 -10 114.067 4.88366 3 -1 -6 10 115.169 5.42151 3 -1 -6 10 107.014 5.03276 4 1 -6 -10 114.549 5.80550 2 -1 -6 10 106.303 4.46301 2 -1 6 -10 109.199 4.90976 2 1 6 10 112.884 5.90512 2 2 -6 10 170.259 6.82965 2 2 6 -10 165.543 7.13752 3 -2 6 10 142.376 7.08668 2 -2 -6 -10 169.318 7.20150 2 2 -6 10 160.877 6.25312 4 2 -6 10 164.675 5.84382 3 -2 6 10 158.786 7.13611 3 2 6 -10 160.329 6.63003 4 -2 6 10 149.387 6.29714 4 -2 -6 10 180.433 7.04593 4 2 6 10 172.766 6.76375 4 -2 6 -10 174.933 6.64886 4 -2 -6 10 166.709 6.04731 2 -2 6 -10 170.086 7.01765 2 -2 -6 10 172.062 7.28993 3 2 6 10 181.208 7.04500 3 2 -6 -10 164.688 6.95738 3 2 6 10 170.442 7.83221 2 -2 6 -10 176.997 6.31311 3 3 -6 10 65.9444 2.86645 3 -3 6 10 64.5494 4.97735 3 -3 6 10 70.4128 3.98023 4 3 6 -10 66.2593 4.21626 4 3 6 -10 67.4681 4.89857 3 -3 6 10 68.9186 4.80439 2 -3 -6 -10 75.3956 4.95802 2 3 -6 10 66.9980 3.71255 4 3 -6 10 69.5711 4.64316 2 3 -6 -10 73.1419 4.42504 3 3 6 10 64.3795 5.05695 2 3 6 10 70.6976 3.96805 4 -3 -6 10 72.0776 4.89437 3 -3 -6 10 69.6523 4.28430 4 3 6 10 66.4685 4.06319 3 -3 6 -10 73.4505 4.53666 2 -3 6 -10 68.2039 3.74930 4 -3 -6 10 64.9471 2.91793 2 -3 6 -10 60.4146 2.85584 3 -3 -6 10 64.0129 2.93189 2 -4 6 10 172.267 7.82780 2 -4 6 10 173.032 6.93437 4 -4 6 10 151.589 7.65286 3 4 -6 10 166.140 6.51754 4 4 -6 10 161.507 7.60613 2 4 6 -10 183.443 7.40213 4 -4 -6 -10 162.987 7.70994 2 4 6 -10 174.628 7.99737 3 -4 6 -10 177.207 8.08150 2 4 6 10 179.392 7.58884 3 4 6 10 183.624 8.70969 2 -4 -6 10 188.944 8.48572 3 4 6 10 193.419 7.40029 3 4 -6 -10 189.571 6.69341 4 4 -6 -10 186.486 7.74195 3 -4 -6 10 195.349 7.85127 4 4 6 10 187.589 7.39452 4 -4 -6 10 190.872 6.37563 2 -4 -6 10 186.423 6.31385 2 5 6 -10 14.9207 3.44624 3 5 -6 10 13.5845 2.99567 4 5 -6 10 15.8988 2.21105 4 5 -6 10 11.0305 3.15258 2 -5 6 10 13.2828 2.88077 2 -5 6 10 11.6795 2.36838 4 5 6 -10 12.1068 2.98135 4 -5 -6 10 27.0962 3.38465 4 -5 -6 10 20.0709 2.08497 2 5 6 10 27.2736 3.34559 4 5 -6 -10 22.4847 2.84568 3 5 6 10 23.5058 2.96243 3 5 6 10 24.0907 2.69741 3 -5 -6 10 21.6089 2.22563 2 -5 6 -10 20.0089 3.47970 2 5 6 10 23.6201 3.99904 2 5 -6 -10 23.1754 2.39587 4 -6 6 10 21.8860 3.60043 2 6 6 -10 10.0561 3.25524 3 6 -6 10 15.7283 2.43497 4 6 6 -10 18.1575 3.46782 4 -6 6 10 16.9803 2.77957 4 6 -6 10 16.6542 3.73764 2 6 -6 -10 20.8423 2.13840 4 6 -6 -10 23.5700 3.33453 3 -6 -6 10 18.1093 1.96440 2 -6 -6 10 23.1282 3.50802 4 6 6 10 19.7152 2.71870 3 6 6 10 21.5582 3.34910 4 6 6 10 20.1846 4.12997 2 -6 -6 10 19.0144 2.07189 2 6 6 10 23.1865 3.19848 3 -6 6 -10 19.7984 5.55979 2 7 6 -10 36.7765 4.21356 4 -7 6 10 39.8534 5.70672 2 7 -6 10 48.1864 5.77248 2 -7 6 10 36.8344 4.27751 4 7 -6 10 39.7870 3.73780 4 7 6 -10 30.1640 5.25420 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46.5096 4.39707 2 1 -7 10 45.9386 3.27951 3 1 -7 10 45.3507 3.42807 2 1 -7 10 48.1182 3.28745 4 -1 7 10 51.6626 4.26149 3 1 7 -10 44.7766 2.46231 2 -1 -7 10 50.3812 2.80921 2 -1 -7 10 48.6758 3.61820 4 -1 7 -10 45.7779 3.46673 3 1 -7 -10 57.5742 3.82638 3 -1 7 -10 50.4205 3.36961 4 1 7 10 48.8348 4.54472 2 1 7 10 55.6618 4.03904 3 -1 -7 10 48.7506 3.85614 3 1 -7 -10 54.9033 4.38682 2 1 7 10 50.5965 3.42963 4 2 7 -10 124.929 6.28862 3 -2 7 10 127.539 5.50214 4 -2 -7 -10 113.862 6.27291 2 2 -7 10 126.313 4.95601 3 2 -7 10 127.254 5.78277 2 2 -7 10 129.876 5.31140 4 -2 7 10 128.931 6.65566 2 2 7 -10 122.330 5.69086 4 -2 7 10 120.401 6.21004 3 -2 7 -10 113.413 5.07354 4 -2 7 -10 116.509 5.45075 2 2 7 10 97.1142 6.23759 2 -2 -7 10 113.354 5.40785 4 2 -7 -10 124.043 5.55623 3 -2 -7 10 108.817 5.73199 3 2 7 10 108.861 5.09932 4 -2 -7 10 108.816 3.97832 2 2 7 10 111.774 5.50095 3 -2 7 -10 115.156 4.76501 3 3 7 -10 5.60521 2.26579 4 -3 7 10 4.61349 1.91590 4 -3 7 10 5.45024 2.65571 2 3 -7 10 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6.68357 4 -8 -5 11 61.3078 6.40742 4 -8 -5 11 71.7169 4.50117 2 -8 -5 11 67.4933 5.27188 2 0 -6 -11 207.568 8.73067 2 0 6 11 220.861 8.56889 3 0 -6 11 204.313 7.78591 2 0 -6 -11 210.515 8.10447 3 0 6 -11 217.709 8.05018 4 0 6 -11 208.382 7.86222 2 0 -6 11 213.591 8.06265 4 0 6 11 211.119 8.00378 4 0 -6 11 212.542 8.06556 3 0 6 -11 207.537 8.09898 3 0 6 11 214.235 9.01256 2 -1 -6 -11 137.599 6.86286 2 -1 6 11 149.695 7.04081 2 1 6 -11 137.347 6.33410 3 -1 6 11 147.461 6.00905 4 1 6 -11 139.691 6.05198 4 1 -6 11 139.032 5.78195 3 1 6 -11 136.504 5.33225 2 1 -6 11 131.551 5.94273 2 1 -6 11 137.647 5.91806 4 -1 6 11 133.423 6.59885 3 -1 6 -11 160.407 6.69795 4 -1 -6 11 181.334 7.34226 3 -1 6 -11 172.524 6.86334 2 -1 -6 11 168.095 6.40168 2 -1 -6 11 181.765 7.07492 4 1 6 11 173.595 7.89077 2 1 6 11 168.627 6.82203 4 1 -6 -11 155.112 7.48903 2 1 -6 -11 179.665 7.09832 3 -1 6 -11 159.492 6.58480 3 1 6 11 184.372 7.37264 3 2 -6 11 7.69351 1.97573 4 -2 6 11 10.2680 2.47000 3 -2 -6 -11 6.52804 2.45106 2 2 -6 11 8.34799 2.36227 2 -2 6 11 14.8726 2.97686 2 2 6 -11 10.4381 2.57507 3 2 -6 11 10.0962 1.71527 3 -2 6 11 11.0118 2.21814 4 2 6 -11 8.74945 2.24265 4 2 6 11 12.9382 2.94790 2 2 -6 -11 19.3261 2.63509 3 -2 -6 11 17.4464 2.25627 2 2 6 11 15.6160 2.26174 4 -2 6 -11 17.7679 1.89708 3 -2 6 -11 21.5123 2.60656 2 2 6 11 16.3664 2.52089 3 -2 -6 11 17.1877 2.96805 3 -2 -6 11 16.7794 2.54635 4 -2 6 -11 18.6424 2.42264 4 3 -6 11 67.2794 3.03743 3 -3 6 11 73.1239 4.33789 4 3 6 -11 68.9691 5.16132 3 3 6 -11 74.5612 4.60502 4 -3 6 11 62.4459 5.14067 3 3 -6 11 70.5852 4.08910 4 3 -6 11 74.4166 4.92911 2 -3 6 11 68.2358 5.21948 2 -3 -6 -11 72.9289 5.14082 2 -3 -6 11 76.1905 5.42112 3 -3 6 -11 76.2513 4.22926 4 3 6 11 71.7368 5.36538 2 3 6 11 75.8789 4.37779 4 -3 6 -11 67.3770 4.86987 2 -3 6 -11 70.2546 3.16725 3 3 -6 -11 80.6811 4.73643 3 3 6 11 75.8619 4.51495 3 -3 -6 11 78.1110 4.73541 4 -3 -6 11 70.7411 3.57260 2 4 -6 11 26.3152 3.15999 4 -4 6 11 20.4012 3.25734 2 4 6 -11 29.6096 3.28269 4 4 6 -11 21.1363 3.42767 3 -4 6 11 21.0415 2.66801 4 4 -6 11 28.1888 3.52708 2 4 -6 -11 31.8925 2.75432 4 4 -6 -11 37.3034 3.74003 3 -4 -6 11 27.3454 2.37609 2 4 6 11 39.9518 3.61846 4 4 6 11 42.0251 3.83540 3 4 6 11 37.6779 3.66360 3 -4 -6 11 29.1069 2.44935 2 4 6 11 41.3806 4.90053 2 -4 6 -11 39.4207 4.44845 2 -4 -6 11 40.3677 4.96616 3 -4 -6 11 30.8220 3.39450 4 5 6 -11 48.9302 4.52887 4 -5 6 11 50.3755 5.05941 2 -5 6 11 52.5120 4.24213 4 5 6 -11 56.3822 5.32485 3 5 -6 11 51.7992 3.78879 4 5 -6 11 48.0302 5.25245 2 5 6 11 47.1315 4.61447 4 -5 -6 11 57.0303 5.03016 4 5 -6 -11 54.3362 3.35277 4 -5 -6 11 50.0423 3.13458 2 5 6 11 52.7222 5.79262 2 5 6 11 56.9390 4.46241 3 5 6 11 56.1992 5.65499 4 5 -6 -11 46.1062 4.38364 3 -5 6 -11 52.0942 5.39345 2 5 6 11 51.5309 4.18106 3 6 6 -11 126.300 7.50719 3 -6 6 11 115.626 6.87331 2 -6 6 11 111.820 6.03806 4 6 6 -11 118.713 6.65170 4 6 -6 11 103.540 5.53297 4 6 -6 11 111.092 7.33906 2 -6 -6 11 115.148 4.66339 2 6 6 11 117.781 7.77752 2 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21.8265 3.60983 3 -5 -5 14 23.0537 3.11400 2 -5 -5 14 13.1939 4.10995 4 -5 -5 14 24.1000 2.87068 2 5 5 14 20.0211 3.45712 4 5 5 14 29.1981 3.36571 3 5 5 14 21.5447 4.80466 2 5 -5 -14 18.6139 2.80048 4 6 -5 14 44.9538 4.79917 4 6 5 -14 61.1097 6.30671 3 -6 5 14 46.8079 5.96614 2 -6 5 14 43.4691 4.71958 4 6 -5 14 46.8174 5.53448 2 6 5 -14 47.5782 5.55615 4 6 5 14 58.6252 5.89350 4 6 5 14 48.7049 5.70923 4 6 5 14 51.9324 6.02194 2 -6 -5 14 55.2691 4.14943 2 6 5 14 50.1170 5.24962 3 6 -5 -14 45.9578 4.97399 4 6 5 14 49.1448 4.88508 3 -6 -5 14 55.8249 5.04847 2 6 -5 -14 54.0173 5.68052 3 0 6 14 3.93446 2.97272 2 0 6 14 7.68587 2.52324 4 0 -6 -14 6.26053 2.41210 3 0 6 -14 6.62855 2.24625 2 0 -6 14 10.2716 2.89887 3 0 6 -14 6.80345 2.30336 3 0 -6 14 5.63805 2.41453 2 0 6 -14 7.02351 2.46652 4 1 -6 14 6.88365 2.56729 2 -1 6 14 7.60183 3.04307 2 1 -6 14 7.37559 2.59348 3 1 6 -14 10.5099 2.70601 4 -1 6 14 11.7611 2.95151 4 -1 -6 -14 11.4106 2.74349 3 1 6 -14 11.1460 2.22598 2 1 6 -14 12.5721 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-2 4 17 38.7342 4.77133 2 2 4 -17 36.0076 4.16564 2 -2 4 -17 31.4863 3.91250 4 2 -4 -17 32.6965 3.92040 3 2 4 17 30.8496 4.97979 2 2 4 17 32.8185 4.64921 4 -2 4 -17 29.0982 3.44868 3 -2 -4 17 45.6079 5.24003 2 3 4 -17 23.1342 4.06397 3 -3 4 17 18.7675 4.26723 2 3 -4 17 20.2890 4.58883 2 3 4 -17 15.6999 3.77880 4 -3 -4 17 14.7168 3.40837 2 3 4 17 21.1244 5.06681 2 3 -4 -17 7.29489 3.42365 4 3 4 17 12.7348 4.17030 4 3 -4 -17 15.6226 3.40318 3 -3 4 -17 19.9591 2.24679 3 0 -5 17 14.7756 3.69870 2 0 5 -17 23.2199 3.63208 4 0 5 17 19.0484 4.74369 2 0 -5 -17 18.4402 3.41062 3 0 5 -17 18.5258 3.20501 3 0 5 17 23.1557 4.18094 4 0 -5 17 25.4845 4.26094 3 0 5 -17 16.2558 3.68319 2 -1 5 17 9.38378 6.97977 4 -1 -5 -17 2.98547 2.90810 3 1 5 -17 9.93438 3.31925 2 -1 5 17 12.0117 4.31481 2 1 -5 17 11.1731 3.66860 2 1 5 -17 7.63964 3.46752 4 1 5 -17 6.07724 2.97658 3 1 -5 17 12.3404 3.66829 3 1 5 17 1.50033 3.44061 4 1 5 17 9.32945 4.14553 2 -1 5 -17 7.75061 2.56237 3 -1 5 -17 5.27545 3.10538 4 -1 5 -17 6.20717 3.59990 2 1 -5 -17 6.98860 3.03701 3 -1 -5 17 8.64800 3.49549 2 2 -5 17 57.5142 6.10659 2 2 5 -17 45.3450 5.32673 3 2 5 -17 43.6581 4.67378 4 -2 5 17 37.5402 4.95118 2 2 -5 -17 44.8488 5.33582 3 -2 5 -17 51.2875 5.37161 4 -2 -5 17 47.4836 5.11579 2 2 5 17 40.6337 5.43929 2 2 5 17 37.2498 4.63341 4 -2 5 -17 48.9585 3.78692 3 0 -6 17 45.4757 4.95653 3 0 6 -17 47.8873 4.66117 2 0 6 -17 45.1069 5.27106 4 0 6 17 55.6625 6.81892 2 0 -6 17 52.4227 5.56033 2 0 6 -17 48.2995 4.83384 3 0 -6 -17 53.3329 5.32513 3 1 6 -17 22.3245 3.64818 3 1 -6 17 21.9315 4.08617 2 1 6 -17 21.5685 3.89204 4 1 6 -17 21.7865 3.89948 2 -1 6 17 16.4656 4.43163 2 -1 6 -17 21.3121 3.00531 3 -1 6 -17 20.9378 3.82080 4 -1 6 -17 8.28593 3.60497 2 -1 -6 17 17.3205 3.55713 2 1 6 17 22.6883 5.06863 2 1 -6 -17 21.2671 3.58155 3 0 0 -18 56.2956 5.17899 4 0 0 18 63.8365 6.65843 4 0 0 18 40.5406 7.90785 2 0 0 -18 48.1723 4.76998 3 1 0 18 37.5746 5.24074 2 1 0 -18 31.6741 4.04892 4 1 0 -18 35.5031 3.87721 3 1 0 18 36.9303 5.02427 4 -1 0 18 33.5300 5.58978 2 1 0 18 39.0055 5.44100 3 -1 0 -18 27.8774 3.38391 3 -1 0 18 39.4247 5.12757 4 2 0 18 8.41699 4.39809 2 -2 0 18 13.6811 4.16176 2 2 0 -18 7.19569 3.19053 3 -2 0 -18 7.59338 2.55366 3 -2 0 18 16.2260 4.82483 4 2 0 18 8.71938 4.05641 3 2 0 -18 11.2450 3.32100 4 0 1 -18 1.73200 2.60201 3 0 -1 -18 2.48807 2.65027 3 0 -1 18 5.08505 3.80860 2 0 1 -18 0.87648 3.19940 4 0 1 18 7.16458 4.18983 4 0 -1 18 3.95204 4.77833 4 0 1 18 8.72168 3.85372 2 1 -1 18 153.552 8.77087 3 1 1 -18 169.787 7.97014 3 1 1 -18 169.807 8.10601 4 -1 1 18 165.925 9.29781 2 -1 1 18 168.736 9.45704 4 -1 -1 -18 172.264 7.52213 3 1 1 18 160.022 8.97372 4 -1 -1 18 153.818 9.14856 4 1 1 18 166.508 9.55989 2 1 -1 -18 151.913 7.74817 4 -1 -1 18 169.743 8.95482 2 1 -1 -18 163.355 7.72816 3 -1 1 -18 164.608 7.17996 3 2 1 -18 48.8379 5.42860 4 2 -1 18 52.6141 6.81022 2 2 -1 18 52.7979 6.22554 3 -2 1 18 56.4337 5.90053 4 -2 1 18 58.1959 6.55706 2 2 1 -18 50.3858 6.07296 3 -2 -1 -18 56.7780 4.60260 3 -2 -1 18 41.3121 4.86625 2 2 1 18 39.2487 5.22560 4 2 -1 -18 54.1207 5.32942 3 -2 -1 18 43.3609 5.28365 4 2 1 18 35.0723 5.43917 2 2 1 18 41.3381 4.89638 3 -2 1 -18 50.7348 4.20810 3 2 -1 -18 47.2045 5.16923 4 0 2 -18 106.229 5.94380 3 0 2 18 108.242 7.89999 2 0 2 18 106.125 7.71352 4 0 -2 -18 98.3580 6.11641 3 0 2 -18 99.8940 6.62486 4 0 -2 18 102.661 7.55729 2 1 -2 18 7.25927 3.95715 3 1 2 -18 4.48014 2.92367 3 1 2 -18 10.2168 3.39447 4 -1 -2 -18 6.73454 2.67094 3 -1 2 18 6.83686 4.15053 2 1 -2 18 9.54953 4.03669 2 -1 2 18 13.8466 4.53229 4 1 2 18 3.56891 4.31676 4 1 -2 -18 6.05205 3.71070 3 -1 2 -18 8.73730 2.64273 3 -1 2 -18 3.87793 3.51358 4 -1 -2 18 5.90874 3.61704 2 1 2 18 5.23115 4.23440 2 -2 2 18 71.7531 7.15394 4 2 -2 18 55.0618 6.12597 2 2 2 -18 55.8244 7.80422 3 -2 2 18 61.3855 6.84129 2 -2 -2 -18 54.9065 4.85394 3 2 2 -18 52.9930 5.58310 4 2 2 18 40.3925 5.12329 4 2 -2 -18 45.5134 4.94514 4 2 -2 -18 56.5903 5.48743 3 2 2 18 57.5047 6.44209 2 -2 -2 18 53.4643 5.86311 2 -2 2 -18 51.4972 4.16970 3 0 3 18 0.65779 4.03681 4 0 -3 -18 3.44930 4.07074 3 0 -3 18 -0.5753 3.39076 2 0 3 -18 3.05803 2.76587 3 0 3 -18 -1.4405 3.14132 4 0 3 18 5.57701 3.98963 2 1 -3 18 76.2726 7.20121 2 -1 3 18 83.6401 7.67926 2 1 3 -18 86.8983 5.91890 3 1 3 -18 90.9524 6.23470 4 1 -3 18 86.1828 7.15686 3 -1 -3 -18 87.8581 5.86131 3 -1 3 18 88.7144 7.46760 4 1 3 18 92.2941 7.71648 2 -1 -3 18 98.3891 6.92350 2 -1 3 -18 88.8189 5.37589 3 -1 3 -18 87.5788 6.15540 4 1 3 18 87.2543 7.56959 4 1 -3 -18 84.4720 6.05715 3 0 0 0 0.00 0.00 0 _exptl_absorpt_process_details 'SADABS 2014/5' _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_max 0.7452 _exptl_absorpt_correction_T_min 0.6474 _exptl_special_details ) The following wavelength and cell were deduced by SADABS from the direction cosines etc. They are given here for emergency use only: CELL 0.71073 9.858 13.180 15.471 89.994 90.003 90.004 ) ; _shelx_hkl_checksum 43105