# Electronic Supplementary Material (ESI) for Chemical Science. # This journal is © The Royal Society of Chemistry 2021 ####################################################################### # # This file contains crystal structure data downloaded from the # Cambridge Structural Database (CSD) hosted by the Cambridge # Crystallographic Data Centre (CCDC). # # Full information about CCDC data access policies and citation # guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 # # Audit and citation data items may have been added by the CCDC. # Please retain this information to preserve the provenance of # this file and to allow appropriate attribution of the data. # ####################################################################### data_9st-147 _database_code_depnum_ccdc_archive 'CCDC 2105966' loop_ _audit_author_name _audit_author_address 'Shaotong Qiu Shaotong Qiu' ;South China University of Technology China ; _audit_update_record ; 2021-08-27 deposited with the CCDC. 2021-09-29 downloaded from the CCDC. ; _audit_creation_date 2020-08-06 _audit_creation_method ; Olex2 1.3 (compiled 2020.07.31 svn.rc2a77460 for OlexSys, GUI svn.r6145) ; _shelx_SHELXL_version_number 2018/3 _chemical_name_common ? _chemical_name_systematic ? _chemical_formula_moiety 'C28 H18 Br N3 O' _chemical_formula_sum 'C28 H18 Br N3 O' _chemical_formula_weight 492.36 _chemical_absolute_configuration ad _chemical_melting_point ? loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0181 0.0091 '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' Br Br -0.6763 1.2805 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; _space_group_crystal_system monoclinic _space_group_IT_number 5 _space_group_name_H-M_alt 'I 1 2 1' _space_group_name_Hall 'I 2y' loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y, -z' 'x+1/2, y+1/2, z+1/2' '-x+1/2, y+1/2, -z+1/2' _cell_length_a 20.2119(12) _cell_length_b 7.9865(4) _cell_length_c 28.5833(19) _cell_angle_alpha 90 _cell_angle_beta 99.590(6) _cell_angle_gamma 90 _cell_volume 4549.5(5) _cell_formula_units_Z 8 _cell_measurement_reflns_used 9690 _cell_measurement_temperature 99.98(10) _cell_measurement_theta_max 73.3830 _cell_measurement_theta_min 2.4450 _shelx_estimated_absorpt_T_max 0.776 _shelx_estimated_absorpt_T_min 0.723 _exptl_absorpt_coefficient_mu 2.664 _exptl_absorpt_correction_T_max 1.00000 _exptl_absorpt_correction_T_min 0.42774 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; CrysAlisPro 1.171.38.43f (Rigaku Oxford Diffraction, 2015) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. ; _exptl_absorpt_special_details ? _exptl_crystal_colour yellow _exptl_crystal_colour_primary yellow _exptl_crystal_density_diffrn 1.438 _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_description block _exptl_crystal_F_000 2000 _exptl_crystal_size_max 0.13 _exptl_crystal_size_mid 0.11 _exptl_crystal_size_min 0.1 _exptl_transmission_factor_max ? _exptl_transmission_factor_min ? _diffrn_reflns_av_R_equivalents 0.0537 _diffrn_reflns_av_unetI/netI 0.0534 _diffrn_reflns_Laue_measured_fraction_full 0.999 _diffrn_reflns_Laue_measured_fraction_max 0.975 _diffrn_reflns_limit_h_max 24 _diffrn_reflns_limit_h_min -19 _diffrn_reflns_limit_k_max 8 _diffrn_reflns_limit_k_min -9 _diffrn_reflns_limit_l_max 33 _diffrn_reflns_limit_l_min -35 _diffrn_reflns_number 14962 _diffrn_reflns_point_group_measured_fraction_full 0.815 _diffrn_reflns_point_group_measured_fraction_max 0.775 _diffrn_reflns_theta_full 67.684 _diffrn_reflns_theta_max 73.598 _diffrn_reflns_theta_min 2.493 _diffrn_ambient_environment N~2~ _diffrn_ambient_temperature 99.98(10) _diffrn_detector 'CCD plate' _diffrn_detector_area_resol_mean 5.2684 _diffrn_detector_type AtlasS2 _diffrn_measured_fraction_theta_full 0.999 _diffrn_measured_fraction_theta_max 0.975 _diffrn_measurement_details ; List of Runs (angles in degrees, time in seconds): # Type Start End Width t~exp~ \w \q \k \f Frames #-------------------------------------------------------------------------- 1 \w -62.00 -35.00 1.00 1.00 -- -41.11 57.00 60.00 27 2 \w -111.00 -17.00 1.00 1.00 -- -41.11 -57.00 30.00 94 3 \w -102.00 -15.00 1.00 1.00 -- -41.11 -57.00 120.00 87 4 \w 57.00 86.00 1.00 1.00 -- 41.11-125.00-180.00 29 5 \w 67.00 121.00 1.00 1.30 -- 106.95-125.00-150.00 54 6 \w 44.00 125.00 1.00 1.30 -- 106.95 -77.00 30.00 81 7 \w 82.00 177.00 1.00 1.30 -- 106.95 30.00 -90.00 95 8 \w 79.00 172.00 1.00 1.30 -- 106.95 30.00-180.00 93 9 \w 35.00 113.00 1.00 1.30 -- 106.95-125.00 60.00 78 10 \w -9.00 16.00 1.00 1.00 -- 34.00 102.00 101.79 25 11 \w -6.00 19.00 1.00 1.00 -- 34.00 97.00-133.84 25 12 \w -116.00 -17.00 1.00 1.00 -- -41.23 -38.00-150.00 99 13 \w -61.00 33.00 1.00 1.00 -- -41.23 38.00-180.00 94 14 \w 24.00 90.00 1.00 1.00 -- 41.23-125.00 -60.00 66 15 \w 24.00 66.00 1.00 1.00 -- 41.23-125.00 60.00 42 16 \w 16.00 41.00 1.00 1.00 -- 50.00 82.00 -26.47 25 17 \w 20.00 45.00 1.00 2.00 -- 54.00 81.00 117.36 25 18 \w 20.00 45.00 1.00 2.00 -- 54.00 81.00 165.56 25 19 \w 21.00 46.00 1.00 2.00 -- 54.00 78.00 67.35 25 20 \w 20.00 45.00 1.00 2.00 -- 54.00 81.00 -66.58 25 21 \w 25.00 50.00 1.00 2.00 -- 58.00 77.00-159.05 25 22 \w 90.00 116.00 1.00 2.00 -- 58.00 77.00-159.05 26 23 \w 30.00 56.00 1.00 2.00 -- 62.00 76.00 14.49 26 24 \w 81.00 113.00 1.00 2.00 -- 62.00 76.00 14.49 32 ; _diffrn_measurement_device 'four-circle diffractometer' _diffrn_measurement_device_type 'SuperNova, Dual, Cu at zero, AtlasS2' _diffrn_measurement_method '\w scans' _diffrn_orient_matrix_type 'CrysAlisPro convention (1999,Acta A55,543-557)' _diffrn_orient_matrix_UB_11 0.0222141000 _diffrn_orient_matrix_UB_12 -0.0552057000 _diffrn_orient_matrix_UB_13 -0.0466961000 _diffrn_orient_matrix_UB_21 0.0737976000 _diffrn_orient_matrix_UB_22 0.0306374000 _diffrn_orient_matrix_UB_23 0.0222216000 _diffrn_orient_matrix_UB_31 0.0056720000 _diffrn_orient_matrix_UB_32 -0.1822485000 _diffrn_orient_matrix_UB_33 0.0177836000 _diffrn_radiation_monochromator mirror _diffrn_radiation_probe x-ray _diffrn_radiation_type 'Cu K\a' _diffrn_radiation_wavelength 1.54184 _diffrn_source 'micro-focus sealed X-ray tube' _diffrn_source_type 'SuperNova (Cu) X-ray Source' _reflns_Friedel_coverage 0.479 _reflns_Friedel_fraction_full 0.600 _reflns_Friedel_fraction_max 0.544 _reflns_number_gt 6865 _reflns_number_total 7084 _reflns_odcompleteness_completeness 99.92 _reflns_odcompleteness_iscentric 1 _reflns_odcompleteness_theta 66.97 _reflns_special_details ; Reflections were merged by SHELXL according to the crystal class for the calculation of statistics and refinement. _reflns_Friedel_fraction is defined as the number of unique Friedel pairs measured divided by the number that would be possible theoretically, ignoring centric projections and systematic absences. ; _reflns_threshold_expression 'I > 2\s(I)' _computing_cell_refinement 'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)' _computing_data_collection 'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)' _computing_data_reduction 'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)' _computing_molecular_graphics 'Olex2 1.3 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 1.3 (Dolomanov et al., 2009)' _computing_structure_refinement 'SHELXL 2018/3 (Sheldrick, 2015)' _computing_structure_solution 'SHELXT (Sheldrick, 2015)' _refine_diff_density_max 1.193 _refine_diff_density_min -0.802 _refine_diff_density_rms 0.095 _refine_ls_abs_structure_details ; Flack x determined using 2133 quotients [(I+)-(I-)]/[(I+)+(I-)] (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259). ; _refine_ls_abs_structure_Flack 0.005(11) _refine_ls_extinction_coef . _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.056 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 595 _refine_ls_number_reflns 7084 _refine_ls_number_restraints 1 _refine_ls_R_factor_all 0.0456 _refine_ls_R_factor_gt 0.0447 _refine_ls_restrained_S_all 1.056 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0745P)^2^] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1145 _refine_ls_wR_factor_ref 0.1160 _refine_special_details ? _olex2_refinement_description ; 1. Fixed Uiso At 1.2 times of: All C(H) groups 2.a Ternary CH refined with riding coordinates: C8(H8), C15(H15), C35(H35), C36(H36) 2.b Aromatic/amide H refined with riding coordinates: C2(H2), C3(H3), C4(H4), C5(H5), C11(H11), C12(H12), C13(H13), C14(H14), C17(H17), C18(H18), C20(H20), C21(H21), C24(H24), C25(H25), C27(H27), C28(H28), C30(H30), C31(H31), C32(H32), C33(H33), C38(H38), C39(H39), C41(H41), C42(H42), C47(H47), C48(H48), C49(H49), C50(H50), C52(H52), C53(H53), C55(H55), C56(H56) ; _atom_sites_solution_hydrogens geom _atom_sites_solution_primary dual _atom_sites_solution_secondary ? loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group Br1 Br -0.11888(3) 1.07404(7) 0.67509(2) 0.03892(17) Uani 1 1 d . . . . . O1 O 0.17829(17) 0.4065(4) 0.55051(12) 0.0290(8) Uani 1 1 d . . . . . N1 N 0.0753(2) 0.4936(5) 0.68179(14) 0.0227(9) Uani 1 1 d . . . . . N2 N 0.0805(2) 0.3983(6) 0.72150(15) 0.0286(9) Uani 1 1 d . . . . . N3 N -0.0548(2) -0.3166(6) 0.54774(16) 0.0315(10) Uani 1 1 d . . . . . C1 C 0.1605(2) 0.3270(6) 0.67660(16) 0.0209(9) Uani 1 1 d . . . . . C2 C 0.2171(2) 0.2347(6) 0.66832(17) 0.0240(10) Uani 1 1 d . . . . . H2 H 0.236178 0.253410 0.641335 0.029 Uiso 1 1 calc R U . . . C3 C 0.2431(3) 0.1171(6) 0.70109(18) 0.0283(11) Uani 1 1 d . . . . . H3 H 0.280460 0.055810 0.696119 0.034 Uiso 1 1 calc R U . . . C4 C 0.2147(3) 0.0859(7) 0.74251(19) 0.0327(12) Uani 1 1 d . . . . . H4 H 0.233991 0.005379 0.764068 0.039 Uiso 1 1 calc R U . . . C5 C 0.1592(3) 0.1724(7) 0.75137(19) 0.0329(12) Uani 1 1 d . . . . . H5 H 0.139941 0.149730 0.778060 0.040 Uiso 1 1 calc R U . . . C6 C 0.1327(2) 0.2962(6) 0.71858(16) 0.0238(10) Uani 1 1 d . . . . . C7 C 0.1222(2) 0.4571(6) 0.65350(15) 0.0190(9) Uani 1 1 d . . . . . C8 C 0.1219(2) 0.5475(6) 0.60722(15) 0.0198(9) Uani 1 1 d . . . . . H8 H 0.087094 0.634233 0.603607 0.024 Uiso 1 1 calc R U . . . C9 C 0.1887(2) 0.6271(6) 0.60299(15) 0.0205(9) Uani 1 1 d . . . . . C10 C 0.2173(2) 0.5398(6) 0.56989(17) 0.0223(10) Uani 1 1 d . . . . . C11 C 0.2799(2) 0.5779(8) 0.55878(18) 0.0310(11) Uani 1 1 d . . . . . H11 H 0.298924 0.515294 0.537023 0.037 Uiso 1 1 calc R U . . . C12 C 0.3122(3) 0.7144(7) 0.58195(18) 0.0303(12) Uani 1 1 d . . . . . H12 H 0.354041 0.744790 0.575267 0.036 Uiso 1 1 calc R U . . . C13 C 0.2845(3) 0.8077(7) 0.61481(19) 0.0311(12) Uani 1 1 d . . . . . H13 H 0.307692 0.899254 0.629507 0.037 Uiso 1 1 calc R U . . . C14 C 0.2217(2) 0.7641(7) 0.62591(18) 0.0273(11) Uani 1 1 d . . . . . H14 H 0.202706 0.825343 0.647973 0.033 Uiso 1 1 calc R U . . . C15 C 0.1117(2) 0.4342(7) 0.56201(16) 0.0239(10) Uani 1 1 d . . . . . H15 H 0.086020 0.498785 0.536002 0.029 Uiso 1 1 calc R U . . . C16 C 0.0771(2) 0.2682(6) 0.56414(16) 0.0223(10) Uani 1 1 d . . . . . C17 C 0.0087(2) 0.2663(7) 0.56711(17) 0.0255(10) Uani 1 1 d . . . . . H17 H -0.013584 0.366464 0.570264 0.031 Uiso 1 1 calc R U . . . C18 C -0.0257(3) 0.1174(6) 0.56540(17) 0.0265(11) Uani 1 1 d . . . . . H18 H -0.070919 0.116875 0.567980 0.032 Uiso 1 1 calc R U . . . C19 C 0.0073(2) -0.0329(6) 0.55980(16) 0.0242(10) Uani 1 1 d . . . . . C20 C 0.0761(2) -0.0319(7) 0.55750(16) 0.0245(10) Uani 1 1 d . . . . . H20 H 0.098501 -0.131810 0.554208 0.029 Uiso 1 1 calc R U . . . C21 C 0.1102(2) 0.1174(6) 0.56012(16) 0.0238(10) Uani 1 1 d . . . . . H21 H 0.155957 0.117830 0.559195 0.029 Uiso 1 1 calc R U . . . C22 C -0.0276(3) -0.1896(7) 0.55394(17) 0.0252(11) Uani 1 1 d . . . . . C23 C 0.0293(2) 0.6303(6) 0.67739(16) 0.0238(10) Uani 1 1 d . . . . . C24 C 0.0533(3) 0.7923(7) 0.68463(18) 0.0277(11) Uani 1 1 d . . . . . H24 H 0.099307 0.811315 0.690265 0.033 Uiso 1 1 calc R U . . . C25 C 0.0099(3) 0.9254(7) 0.68359(17) 0.0284(11) Uani 1 1 d . . . . . H25 H 0.025776 1.034386 0.688229 0.034 Uiso 1 1 calc R U . . . C26 C -0.0589(3) 0.8915(7) 0.67535(17) 0.0285(11) Uani 1 1 d . . . . . C27 C -0.0838(2) 0.7317(8) 0.66762(17) 0.0310(12) Uani 1 1 d . . . . . H27 H -0.129838 0.713242 0.661794 0.037 Uiso 1 1 calc R U . . . C28 C -0.0399(2) 0.5991(7) 0.66857(16) 0.0262(11) Uani 1 1 d . . . . . H28 H -0.056030 0.490474 0.663438 0.031 Uiso 1 1 calc R U . . . Br2 Br 0.79409(3) -0.05616(7) 0.53344(2) 0.03622(17) Uani 1 1 d . . . . . O2 O 0.46326(15) 0.5816(5) 0.60466(12) 0.0278(7) Uani 1 1 d . . . . . N4 N 0.7381(2) 0.6386(5) 0.66357(15) 0.0283(9) Uani 1 1 d . . . . . N5 N 0.69449(19) 0.5278(5) 0.63896(14) 0.0219(9) Uani 1 1 d . . . . . N6 N 0.6049(2) 1.3204(6) 0.49747(17) 0.0334(10) Uani 1 1 d . . . . . C29 C 0.5247(2) 0.3709(6) 0.64631(17) 0.0236(10) Uani 1 1 d . . . . . C30 C 0.5318(3) 0.2383(7) 0.67798(18) 0.0309(11) Uani 1 1 d . . . . . H30 H 0.572398 0.181556 0.684959 0.037 Uiso 1 1 calc R U . . . C31 C 0.4781(3) 0.1912(8) 0.69906(19) 0.0357(13) Uani 1 1 d . . . . . H31 H 0.482731 0.102595 0.720455 0.043 Uiso 1 1 calc R U . . . C32 C 0.4174(3) 0.2749(7) 0.68865(18) 0.0314(12) Uani 1 1 d . . . . . H32 H 0.381580 0.240586 0.702982 0.038 Uiso 1 1 calc R U . . . C33 C 0.4089(2) 0.4090(7) 0.65723(18) 0.0288(11) Uani 1 1 d . . . . . H33 H 0.368416 0.466672 0.650539 0.035 Uiso 1 1 calc R U . . . C34 C 0.4635(2) 0.4525(7) 0.63640(17) 0.0251(10) Uani 1 1 d . . . . . C35 C 0.5729(2) 0.4505(6) 0.61730(15) 0.0206(9) Uani 1 1 d . . . . . H35 H 0.591546 0.363350 0.599181 0.025 Uiso 1 1 calc R U . . . C36 C 0.5218(2) 0.5601(6) 0.58238(16) 0.0219(9) Uani 1 1 d . . . . . H36 H 0.508149 0.494730 0.553367 0.026 Uiso 1 1 calc R U . . . C37 C 0.5450(2) 0.7272(6) 0.56809(16) 0.0213(10) Uani 1 1 d . . . . . C38 C 0.5908(2) 0.7360(7) 0.53610(17) 0.0256(11) Uani 1 1 d . . . . . H38 H 0.608958 0.637749 0.526169 0.031 Uiso 1 1 calc R U . . . C39 C 0.6092(3) 0.8866(6) 0.51938(17) 0.0270(11) Uani 1 1 d . . . . . H39 H 0.639983 0.890729 0.498619 0.032 Uiso 1 1 calc R U . . . C40 C 0.5812(2) 1.0344(6) 0.53373(16) 0.0242(10) Uani 1 1 d . . . . . C41 C 0.5372(2) 1.0293(6) 0.56652(17) 0.0234(10) Uani 1 1 d . . . . . H41 H 0.519553 1.127645 0.576817 0.028 Uiso 1 1 calc R U . . . C42 C 0.5202(2) 0.8754(7) 0.58346(17) 0.0248(10) Uani 1 1 d . . . . . H42 H 0.491392 0.871441 0.605673 0.030 Uiso 1 1 calc R U . . . C43 C 0.5959(3) 1.1929(7) 0.51372(18) 0.0282(11) Uani 1 1 d . . . . . C44 C 0.6289(2) 0.5462(6) 0.64582(15) 0.0208(9) Uani 1 1 d . . . . . C45 C 0.6302(2) 0.6770(6) 0.67815(17) 0.0233(10) Uani 1 1 d . . . . . C46 C 0.6987(3) 0.7300(6) 0.68786(17) 0.0273(11) Uani 1 1 d . . . . . C47 C 0.7182(3) 0.8606(7) 0.7204(2) 0.0369(13) Uani 1 1 d . . . . . H47 H 0.762541 0.896834 0.726818 0.044 Uiso 1 1 calc R U . . . C48 C 0.6707(3) 0.9318(7) 0.74223(19) 0.0382(13) Uani 1 1 d . . . . . H48 H 0.682865 1.017866 0.763858 0.046 Uiso 1 1 calc R U . . . C49 C 0.6024(3) 0.8784(7) 0.73294(18) 0.0338(12) Uani 1 1 d . . . . . H49 H 0.571432 0.929562 0.748976 0.041 Uiso 1 1 calc R U . . . C50 C 0.5813(3) 0.7544(6) 0.70120(17) 0.0283(11) Uani 1 1 d . . . . . H50 H 0.536562 0.721777 0.694884 0.034 Uiso 1 1 calc R U . . . C51 C 0.7202(2) 0.3921(6) 0.61436(16) 0.0236(10) Uani 1 1 d . . . . . C52 C 0.7568(2) 0.4239(7) 0.57845(17) 0.0271(10) Uani 1 1 d . . . . . H52 H 0.766074 0.533282 0.570430 0.033 Uiso 1 1 calc R U . . . C53 C 0.7796(2) 0.2891(7) 0.55454(19) 0.0291(11) Uani 1 1 d . . . . . H53 H 0.804840 0.307652 0.530633 0.035 Uiso 1 1 calc R U . . . C54 C 0.7646(2) 0.1295(7) 0.56648(18) 0.0268(11) Uani 1 1 d . . . . . C55 C 0.7292(2) 0.0958(6) 0.60327(17) 0.0246(10) Uani 1 1 d . . . . . H55 H 0.720403 -0.013946 0.611245 0.030 Uiso 1 1 calc R U . . . C56 C 0.7075(2) 0.2288(6) 0.62765(17) 0.0242(10) Uani 1 1 d . . . . . H56 H 0.684611 0.209526 0.652781 0.029 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 Br1 0.0297(3) 0.0459(4) 0.0396(3) -0.0063(3) 0.0011(2) 0.0168(3) O1 0.0273(18) 0.031(2) 0.0324(18) -0.0059(15) 0.0162(14) -0.0006(15) N1 0.020(2) 0.028(2) 0.021(2) 0.0020(16) 0.0067(15) 0.0004(17) N2 0.032(2) 0.030(2) 0.025(2) 0.0088(18) 0.0060(17) 0.0054(19) N3 0.031(2) 0.026(2) 0.037(2) 0.0006(19) 0.0084(19) 0.000(2) C1 0.019(2) 0.021(2) 0.022(2) -0.0010(18) -0.0009(17) -0.0031(18) C2 0.021(2) 0.025(3) 0.026(2) -0.001(2) 0.0014(18) 0.0001(19) C3 0.023(2) 0.025(3) 0.034(3) -0.005(2) -0.0023(19) 0.002(2) C4 0.032(3) 0.026(3) 0.037(3) 0.007(2) -0.004(2) 0.001(2) C5 0.036(3) 0.033(3) 0.028(3) 0.009(2) 0.003(2) 0.001(2) C6 0.027(2) 0.024(2) 0.021(2) 0.0016(19) 0.0050(19) -0.002(2) C7 0.016(2) 0.021(2) 0.021(2) -0.0050(19) 0.0039(16) -0.0013(18) C8 0.016(2) 0.022(2) 0.022(2) 0.0008(19) 0.0039(16) 0.0023(18) C9 0.022(2) 0.018(2) 0.022(2) 0.0061(18) 0.0040(17) 0.0038(18) C10 0.020(2) 0.021(3) 0.028(2) 0.0020(19) 0.0083(18) 0.0024(19) C11 0.022(2) 0.038(3) 0.035(3) 0.009(2) 0.0117(19) 0.006(2) C12 0.020(2) 0.039(3) 0.034(3) 0.011(2) 0.009(2) -0.002(2) C13 0.021(2) 0.034(3) 0.038(3) 0.000(2) 0.004(2) -0.006(2) C14 0.024(2) 0.030(3) 0.029(3) 0.000(2) 0.010(2) -0.003(2) C15 0.019(2) 0.029(3) 0.023(2) 0.003(2) 0.0041(17) 0.001(2) C16 0.023(2) 0.026(3) 0.017(2) -0.0020(19) 0.0010(17) 0.000(2) C17 0.022(2) 0.025(3) 0.028(2) -0.002(2) 0.0025(19) 0.006(2) C18 0.021(2) 0.029(3) 0.029(3) -0.001(2) 0.0023(19) 0.000(2) C19 0.026(2) 0.028(3) 0.018(2) 0.000(2) 0.0030(18) 0.001(2) C20 0.025(2) 0.027(3) 0.022(2) 0.001(2) 0.0055(18) 0.005(2) C21 0.020(2) 0.028(3) 0.023(2) 0.0002(19) 0.0030(17) 0.0045(19) C22 0.026(3) 0.025(3) 0.024(3) 0.001(2) 0.0058(19) 0.003(2) C23 0.020(2) 0.031(3) 0.021(2) 0.0014(19) 0.0061(18) 0.001(2) C24 0.021(2) 0.034(3) 0.029(3) 0.002(2) 0.005(2) 0.002(2) C25 0.029(3) 0.028(3) 0.028(2) -0.002(2) 0.0040(19) 0.001(2) C26 0.026(3) 0.037(3) 0.023(2) -0.002(2) 0.0046(19) 0.012(2) C27 0.017(2) 0.051(4) 0.026(3) 0.001(2) 0.0044(18) 0.001(2) C28 0.026(2) 0.034(3) 0.020(2) -0.003(2) 0.0049(18) -0.005(2) Br2 0.0276(3) 0.0386(3) 0.0456(3) -0.0075(3) 0.0152(2) 0.0004(2) O2 0.0161(16) 0.0280(18) 0.0405(19) 0.0091(17) 0.0079(13) 0.0018(15) N4 0.021(2) 0.031(2) 0.031(2) 0.0000(18) -0.0027(17) -0.0012(18) N5 0.0165(19) 0.022(2) 0.025(2) 0.0014(16) -0.0003(15) 0.0004(16) N6 0.030(2) 0.031(3) 0.040(3) -0.002(2) 0.006(2) -0.002(2) C29 0.019(2) 0.026(2) 0.026(2) 0.000(2) 0.0056(18) -0.003(2) C30 0.027(3) 0.037(3) 0.029(3) 0.006(2) 0.006(2) 0.006(2) C31 0.037(3) 0.039(3) 0.032(3) 0.010(2) 0.011(2) -0.002(3) C32 0.026(3) 0.042(3) 0.029(3) 0.002(2) 0.013(2) 0.001(2) C33 0.020(2) 0.035(3) 0.033(3) -0.004(2) 0.0100(19) -0.002(2) C34 0.022(2) 0.026(2) 0.027(2) -0.002(2) 0.0046(18) 0.001(2) C35 0.017(2) 0.022(2) 0.023(2) 0.001(2) 0.0053(17) -0.0020(19) C36 0.016(2) 0.025(2) 0.025(2) 0.001(2) 0.0030(17) 0.001(2) C37 0.016(2) 0.025(3) 0.021(2) 0.0006(19) -0.0011(17) -0.0011(19) C38 0.023(3) 0.026(3) 0.027(3) -0.001(2) 0.0052(19) 0.002(2) C39 0.027(3) 0.030(3) 0.024(2) 0.000(2) 0.0019(19) -0.001(2) C40 0.021(2) 0.027(3) 0.023(2) 0.0000(19) -0.0013(18) -0.003(2) C41 0.018(2) 0.024(3) 0.027(2) -0.002(2) 0.0023(18) 0.0035(19) C42 0.020(2) 0.033(3) 0.022(2) -0.002(2) 0.0040(18) -0.003(2) C43 0.025(3) 0.032(3) 0.027(3) -0.003(2) 0.004(2) 0.001(2) C44 0.020(2) 0.022(2) 0.019(2) 0.0025(18) 0.0003(16) 0.0006(19) C45 0.026(2) 0.018(2) 0.024(2) 0.0024(19) -0.0001(19) 0.0010(19) C46 0.033(3) 0.026(3) 0.022(2) 0.002(2) -0.0009(19) 0.001(2) C47 0.037(3) 0.036(3) 0.033(3) -0.001(2) -0.009(2) -0.005(3) C48 0.053(4) 0.028(3) 0.029(3) 0.000(2) -0.007(2) -0.001(3) C49 0.045(3) 0.035(3) 0.021(2) -0.001(2) 0.004(2) 0.011(3) C50 0.034(3) 0.027(3) 0.024(2) 0.002(2) 0.004(2) 0.005(2) C51 0.015(2) 0.032(3) 0.024(2) -0.001(2) 0.0011(17) 0.0038(19) C52 0.026(2) 0.027(3) 0.028(2) 0.008(2) 0.0052(19) -0.001(2) C53 0.021(2) 0.037(3) 0.031(3) 0.006(2) 0.009(2) 0.006(2) C54 0.015(2) 0.037(3) 0.029(3) -0.001(2) 0.0052(18) 0.004(2) C55 0.019(2) 0.025(3) 0.031(2) 0.004(2) 0.0050(18) 0.001(2) C56 0.018(2) 0.031(3) 0.024(2) 0.004(2) 0.0040(18) 0.001(2) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Br1 C26 1.895(5) . ? O1 C10 1.384(6) . ? O1 C15 1.454(5) . ? N1 N2 1.356(6) . ? N1 C7 1.376(6) . ? N1 C23 1.425(6) . ? N2 C6 1.347(6) . ? N3 C22 1.153(7) . ? C1 C2 1.415(7) . ? C1 C6 1.429(6) . ? C1 C7 1.394(7) . ? C2 H2 0.9300 . ? C2 C3 1.368(7) . ? C3 H3 0.9300 . ? C3 C4 1.422(7) . ? C4 H4 0.9300 . ? C4 C5 1.376(8) . ? C5 H5 0.9300 . ? C5 C6 1.406(7) . ? C7 C8 1.506(6) . ? C8 H8 0.9800 . ? C8 C9 1.516(6) . ? C8 C15 1.563(7) . ? C9 C10 1.377(6) . ? C9 C14 1.388(7) . ? C10 C11 1.389(7) . ? C11 H11 0.9300 . ? C11 C12 1.381(8) . ? C12 H12 0.9300 . ? C12 C13 1.387(8) . ? C13 H13 0.9300 . ? C13 C14 1.403(7) . ? C14 H14 0.9300 . ? C15 H15 0.9800 . ? C15 C16 1.506(7) . ? C16 C17 1.398(7) . ? C16 C21 1.391(7) . ? C17 H17 0.9300 . ? C17 C18 1.374(7) . ? C18 H18 0.9300 . ? C18 C19 1.394(7) . ? C19 C20 1.404(7) . ? C19 C22 1.432(7) . ? C20 H20 0.9300 . ? C20 C21 1.373(7) . ? C21 H21 0.9300 . ? C23 C24 1.385(8) . ? C23 C28 1.402(7) . ? C24 H24 0.9300 . ? C24 C25 1.376(7) . ? C25 H25 0.9300 . ? C25 C26 1.396(7) . ? C26 C27 1.377(8) . ? C27 H27 0.9300 . ? C27 C28 1.378(7) . ? C28 H28 0.9300 . ? Br2 C54 1.906(5) . ? O2 C34 1.373(6) . ? O2 C36 1.444(5) . ? N4 N5 1.360(6) . ? N4 C46 1.353(7) . ? N5 C44 1.380(6) . ? N5 C51 1.435(6) . ? N6 C43 1.146(7) . ? C29 C30 1.385(7) . ? C29 C34 1.385(7) . ? C29 C35 1.520(6) . ? C30 H30 0.9300 . ? C30 C31 1.377(7) . ? C31 H31 0.9300 . ? C31 C32 1.386(8) . ? C32 H32 0.9300 . ? C32 C33 1.390(8) . ? C33 H33 0.9300 . ? C33 C34 1.383(7) . ? C35 H35 0.9800 . ? C35 C36 1.577(6) . ? C35 C44 1.490(6) . ? C36 H36 0.9800 . ? C36 C37 1.494(7) . ? C37 C38 1.408(7) . ? C37 C42 1.385(7) . ? C38 H38 0.9300 . ? C38 C39 1.368(7) . ? C39 H39 0.9300 . ? C39 C40 1.399(7) . ? C40 C41 1.397(7) . ? C40 C43 1.440(7) . ? C41 H41 0.9300 . ? C41 C42 1.386(7) . ? C42 H42 0.9300 . ? C44 C45 1.392(7) . ? C45 C46 1.430(7) . ? C45 C50 1.418(7) . ? C46 C47 1.410(7) . ? C47 H47 0.9300 . ? C47 C48 1.354(8) . ? C48 H48 0.9300 . ? C48 C49 1.426(8) . ? C49 H49 0.9300 . ? C49 C50 1.362(7) . ? C50 H50 0.9300 . ? C51 C52 1.386(7) . ? C51 C56 1.394(7) . ? C52 H52 0.9300 . ? C52 C53 1.394(8) . ? C53 H53 0.9300 . ? C53 C54 1.367(8) . ? C54 C55 1.393(7) . ? C55 H55 0.9300 . ? C55 C56 1.382(7) . ? C56 H56 0.9300 . ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag C10 O1 C15 106.2(3) . . ? N2 N1 C7 114.1(4) . . ? N2 N1 C23 117.5(4) . . ? C7 N1 C23 127.8(4) . . ? C6 N2 N1 103.9(4) . . ? C2 C1 C6 119.5(4) . . ? C7 C1 C2 135.2(4) . . ? C7 C1 C6 105.2(4) . . ? C1 C2 H2 120.9 . . ? C3 C2 C1 118.2(5) . . ? C3 C2 H2 120.9 . . ? C2 C3 H3 119.1 . . ? C2 C3 C4 121.9(5) . . ? C4 C3 H3 119.1 . . ? C3 C4 H4 119.3 . . ? C5 C4 C3 121.3(5) . . ? C5 C4 H4 119.3 . . ? C4 C5 H5 121.2 . . ? C4 C5 C6 117.5(5) . . ? C6 C5 H5 121.2 . . ? N2 C6 C1 111.7(4) . . ? N2 C6 C5 126.9(5) . . ? C5 C6 C1 121.4(5) . . ? N1 C7 C1 105.2(4) . . ? N1 C7 C8 120.8(4) . . ? C1 C7 C8 133.9(4) . . ? C7 C8 H8 109.2 . . ? C7 C8 C9 113.4(4) . . ? C7 C8 C15 115.4(4) . . ? C9 C8 H8 109.2 . . ? C9 C8 C15 99.9(3) . . ? C15 C8 H8 109.2 . . ? C10 C9 C8 108.9(4) . . ? C10 C9 C14 120.0(4) . . ? C14 C9 C8 131.1(4) . . ? O1 C10 C11 123.8(5) . . ? C9 C10 O1 112.9(4) . . ? C9 C10 C11 123.2(5) . . ? C10 C11 H11 122.0 . . ? C12 C11 C10 116.1(5) . . ? C12 C11 H11 122.0 . . ? C11 C12 H12 118.8 . . ? C11 C12 C13 122.5(5) . . ? C13 C12 H12 118.8 . . ? C12 C13 H13 119.9 . . ? C12 C13 C14 120.1(5) . . ? C14 C13 H13 119.9 . . ? C9 C14 C13 118.1(5) . . ? C9 C14 H14 121.0 . . ? C13 C14 H14 121.0 . . ? O1 C15 C8 106.0(4) . . ? O1 C15 H15 107.6 . . ? O1 C15 C16 109.3(4) . . ? C8 C15 H15 107.6 . . ? C16 C15 C8 118.3(4) . . ? C16 C15 H15 107.6 . . ? C17 C16 C15 118.9(4) . . ? C21 C16 C15 121.7(4) . . ? C21 C16 C17 119.3(5) . . ? C16 C17 H17 119.8 . . ? C18 C17 C16 120.4(5) . . ? C18 C17 H17 119.8 . . ? C17 C18 H18 120.0 . . ? C17 C18 C19 120.1(5) . . ? C19 C18 H18 120.0 . . ? C18 C19 C20 119.7(5) . . ? C18 C19 C22 122.1(4) . . ? C20 C19 C22 118.1(5) . . ? C19 C20 H20 120.2 . . ? C21 C20 C19 119.6(5) . . ? C21 C20 H20 120.2 . . ? C16 C21 H21 119.6 . . ? C20 C21 C16 120.8(4) . . ? C20 C21 H21 119.6 . . ? N3 C22 C19 177.6(6) . . ? C24 C23 N1 119.7(4) . . ? C24 C23 C28 120.4(5) . . ? C28 C23 N1 119.8(5) . . ? C23 C24 H24 119.6 . . ? C25 C24 C23 120.9(5) . . ? C25 C24 H24 119.6 . . ? C24 C25 H25 121.1 . . ? C24 C25 C26 117.9(5) . . ? C26 C25 H25 121.1 . . ? C25 C26 Br1 118.0(4) . . ? C27 C26 Br1 119.7(4) . . ? C27 C26 C25 122.2(5) . . ? C26 C27 H27 120.2 . . ? C26 C27 C28 119.5(5) . . ? C28 C27 H27 120.2 . . ? C23 C28 H28 120.4 . . ? C27 C28 C23 119.1(5) . . ? C27 C28 H28 120.4 . . ? C34 O2 C36 106.8(3) . . ? C46 N4 N5 103.4(4) . . ? N4 N5 C44 114.4(4) . . ? N4 N5 C51 119.3(4) . . ? C44 N5 C51 125.8(4) . . ? C30 C29 C34 119.1(5) . . ? C30 C29 C35 132.1(5) . . ? C34 C29 C35 108.9(4) . . ? C29 C30 H30 120.3 . . ? C31 C30 C29 119.4(5) . . ? C31 C30 H30 120.3 . . ? C30 C31 H31 119.7 . . ? C30 C31 C32 120.6(5) . . ? C32 C31 H31 119.7 . . ? C31 C32 H32 119.3 . . ? C31 C32 C33 121.3(5) . . ? C33 C32 H32 119.3 . . ? C32 C33 H33 121.6 . . ? C34 C33 C32 116.8(5) . . ? C34 C33 H33 121.6 . . ? O2 C34 C29 113.2(4) . . ? O2 C34 C33 123.9(5) . . ? C33 C34 C29 122.9(5) . . ? C29 C35 H35 109.2 . . ? C29 C35 C36 99.5(3) . . ? C36 C35 H35 109.2 . . ? C44 C35 C29 114.4(4) . . ? C44 C35 H35 109.2 . . ? C44 C35 C36 114.8(4) . . ? O2 C36 C35 106.6(3) . . ? O2 C36 H36 107.6 . . ? O2 C36 C37 109.4(4) . . ? C35 C36 H36 107.6 . . ? C37 C36 C35 117.8(4) . . ? C37 C36 H36 107.6 . . ? C38 C37 C36 119.5(4) . . ? C42 C37 C36 122.0(4) . . ? C42 C37 C38 118.4(4) . . ? C37 C38 H38 119.5 . . ? C39 C38 C37 121.1(5) . . ? C39 C38 H38 119.5 . . ? C38 C39 H39 120.2 . . ? C38 C39 C40 119.6(5) . . ? C40 C39 H39 120.2 . . ? C39 C40 C43 120.4(4) . . ? C41 C40 C39 120.4(5) . . ? C41 C40 C43 119.2(4) . . ? C40 C41 H41 120.5 . . ? C42 C41 C40 118.9(4) . . ? C42 C41 H41 120.5 . . ? C37 C42 C41 121.5(4) . . ? C37 C42 H42 119.2 . . ? C41 C42 H42 119.2 . . ? N6 C43 C40 177.3(6) . . ? N5 C44 C35 121.9(4) . . ? N5 C44 C45 105.1(4) . . ? C45 C44 C35 132.6(4) . . ? C44 C45 C46 105.2(4) . . ? C44 C45 C50 134.2(5) . . ? C50 C45 C46 120.6(5) . . ? N4 C46 C45 111.9(4) . . ? N4 C46 C47 127.9(5) . . ? C47 C46 C45 120.1(5) . . ? C46 C47 H47 120.9 . . ? C48 C47 C46 118.2(6) . . ? C48 C47 H47 120.9 . . ? C47 C48 H48 119.1 . . ? C47 C48 C49 121.8(5) . . ? C49 C48 H48 119.1 . . ? C48 C49 H49 119.1 . . ? C50 C49 C48 121.8(5) . . ? C50 C49 H49 119.1 . . ? C45 C50 H50 121.3 . . ? C49 C50 C45 117.5(5) . . ? C49 C50 H50 121.3 . . ? C52 C51 N5 120.4(5) . . ? C52 C51 C56 121.2(5) . . ? C56 C51 N5 118.4(4) . . ? C51 C52 H52 120.6 . . ? C51 C52 C53 118.9(5) . . ? C53 C52 H52 120.6 . . ? C52 C53 H53 120.2 . . ? C54 C53 C52 119.5(4) . . ? C54 C53 H53 120.2 . . ? C53 C54 Br2 120.1(4) . . ? C53 C54 C55 122.1(5) . . ? C55 C54 Br2 117.8(4) . . ? C54 C55 H55 120.7 . . ? C56 C55 C54 118.6(5) . . ? C56 C55 H55 120.7 . . ? C51 C56 H56 120.2 . . ? C55 C56 C51 119.6(4) . . ? C55 C56 H56 120.2 . . ? 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 Br1 C26 C27 C28 -179.0(4) . . . . ? O1 C10 C11 C12 -179.2(4) . . . . ? O1 C15 C16 C17 -169.8(4) . . . . ? O1 C15 C16 C21 6.0(6) . . . . ? N1 N2 C6 C1 -0.2(6) . . . . ? N1 N2 C6 C5 179.7(5) . . . . ? N1 C7 C8 C9 126.2(4) . . . . ? N1 C7 C8 C15 -119.4(5) . . . . ? N1 C23 C24 C25 -175.8(4) . . . . ? N1 C23 C28 C27 175.6(4) . . . . ? N2 N1 C7 C1 0.5(5) . . . . ? N2 N1 C7 C8 177.9(4) . . . . ? N2 N1 C23 C24 104.6(5) . . . . ? N2 N1 C23 C28 -71.6(6) . . . . ? C1 C2 C3 C4 0.2(7) . . . . ? C1 C7 C8 C9 -57.2(7) . . . . ? C1 C7 C8 C15 57.2(7) . . . . ? C2 C1 C6 N2 178.0(4) . . . . ? C2 C1 C6 C5 -1.9(7) . . . . ? C2 C1 C7 N1 -177.5(5) . . . . ? C2 C1 C7 C8 5.5(9) . . . . ? C2 C3 C4 C5 0.4(8) . . . . ? C3 C4 C5 C6 -1.7(8) . . . . ? C4 C5 C6 N2 -177.5(5) . . . . ? C4 C5 C6 C1 2.4(8) . . . . ? C6 C1 C2 C3 0.5(7) . . . . ? C6 C1 C7 N1 -0.5(5) . . . . ? C6 C1 C7 C8 -177.5(5) . . . . ? C7 N1 N2 C6 -0.2(5) . . . . ? C7 N1 C23 C24 -66.3(7) . . . . ? C7 N1 C23 C28 117.6(5) . . . . ? C7 C1 C2 C3 177.2(5) . . . . ? C7 C1 C6 N2 0.5(6) . . . . ? C7 C1 C6 C5 -179.5(5) . . . . ? C7 C8 C9 C10 109.6(4) . . . . ? C7 C8 C9 C14 -70.7(6) . . . . ? C7 C8 C15 O1 -99.2(4) . . . . ? C7 C8 C15 C16 23.8(6) . . . . ? C8 C9 C10 O1 -0.5(5) . . . . ? C8 C9 C10 C11 -177.9(4) . . . . ? C8 C9 C14 C13 179.3(5) . . . . ? C8 C15 C16 C17 68.8(6) . . . . ? C8 C15 C16 C21 -115.4(5) . . . . ? C9 C8 C15 O1 22.8(5) . . . . ? C9 C8 C15 C16 145.8(4) . . . . ? C9 C10 C11 C12 -2.0(7) . . . . ? C10 O1 C15 C8 -24.3(5) . . . . ? C10 O1 C15 C16 -152.9(4) . . . . ? C10 C9 C14 C13 -1.0(7) . . . . ? C10 C11 C12 C13 0.6(8) . . . . ? C11 C12 C13 C14 0.5(8) . . . . ? C12 C13 C14 C9 -0.3(8) . . . . ? C14 C9 C10 O1 179.7(4) . . . . ? C14 C9 C10 C11 2.3(7) . . . . ? C15 O1 C10 C9 16.1(5) . . . . ? C15 O1 C10 C11 -166.5(5) . . . . ? C15 C8 C9 C10 -13.8(5) . . . . ? C15 C8 C9 C14 165.9(5) . . . . ? C15 C16 C17 C18 174.9(4) . . . . ? C15 C16 C21 C20 -173.6(4) . . . . ? C16 C17 C18 C19 -1.2(7) . . . . ? C17 C16 C21 C20 2.1(7) . . . . ? C17 C18 C19 C20 2.1(7) . . . . ? C17 C18 C19 C22 -174.8(5) . . . . ? C18 C19 C20 C21 -0.9(7) . . . . ? C19 C20 C21 C16 -1.2(7) . . . . ? C21 C16 C17 C18 -0.9(7) . . . . ? C22 C19 C20 C21 176.1(4) . . . . ? C23 N1 N2 C6 -172.3(4) . . . . ? C23 N1 C7 C1 171.6(4) . . . . ? C23 N1 C7 C8 -11.0(7) . . . . ? C23 C24 C25 C26 0.4(7) . . . . ? C24 C23 C28 C27 -0.5(7) . . . . ? C24 C25 C26 Br1 178.8(4) . . . . ? C24 C25 C26 C27 -1.1(8) . . . . ? C25 C26 C27 C28 0.9(8) . . . . ? C26 C27 C28 C23 -0.1(7) . . . . ? C28 C23 C24 C25 0.4(7) . . . . ? Br2 C54 C55 C56 179.9(4) . . . . ? O2 C36 C37 C38 -165.1(4) . . . . ? O2 C36 C37 C42 11.6(6) . . . . ? N4 N5 C44 C35 172.2(4) . . . . ? N4 N5 C44 C45 -1.3(5) . . . . ? N4 N5 C51 C52 -61.1(6) . . . . ? N4 N5 C51 C56 118.7(5) . . . . ? N4 C46 C47 C48 -177.6(5) . . . . ? N5 N4 C46 C45 -0.4(5) . . . . ? N5 N4 C46 C47 177.9(5) . . . . ? N5 C44 C45 C46 0.9(5) . . . . ? N5 C44 C45 C50 -177.4(5) . . . . ? N5 C51 C52 C53 -178.4(4) . . . . ? N5 C51 C56 C55 177.3(4) . . . . ? C29 C30 C31 C32 0.3(9) . . . . ? C29 C35 C36 O2 20.6(5) . . . . ? C29 C35 C36 C37 143.9(4) . . . . ? C29 C35 C44 N5 133.6(5) . . . . ? C29 C35 C44 C45 -55.0(7) . . . . ? C30 C29 C34 O2 179.8(4) . . . . ? C30 C29 C34 C33 0.8(8) . . . . ? C30 C29 C35 C36 167.0(5) . . . . ? C30 C29 C35 C44 -70.1(7) . . . . ? C30 C31 C32 C33 -0.7(9) . . . . ? C31 C32 C33 C34 1.1(8) . . . . ? C32 C33 C34 O2 180.0(5) . . . . ? C32 C33 C34 C29 -1.2(8) . . . . ? C34 O2 C36 C35 -22.5(5) . . . . ? C34 O2 C36 C37 -150.9(4) . . . . ? C34 C29 C30 C31 -0.3(8) . . . . ? C34 C29 C35 C36 -12.0(5) . . . . ? C34 C29 C35 C44 110.9(5) . . . . ? C35 C29 C30 C31 -179.2(5) . . . . ? C35 C29 C34 O2 -1.1(6) . . . . ? C35 C29 C34 C33 179.9(5) . . . . ? C35 C36 C37 C38 73.1(6) . . . . ? C35 C36 C37 C42 -110.3(5) . . . . ? C35 C44 C45 C46 -171.6(5) . . . . ? C35 C44 C45 C50 10.1(9) . . . . ? C36 O2 C34 C29 15.3(5) . . . . ? C36 O2 C34 C33 -165.7(5) . . . . ? C36 C35 C44 N5 -112.2(5) . . . . ? C36 C35 C44 C45 59.2(6) . . . . ? C36 C37 C38 C39 174.9(4) . . . . ? C36 C37 C42 C41 -173.8(5) . . . . ? C37 C38 C39 C40 -0.9(7) . . . . ? C38 C37 C42 C41 2.8(7) . . . . ? C38 C39 C40 C41 2.8(7) . . . . ? C38 C39 C40 C43 -175.2(5) . . . . ? C39 C40 C41 C42 -1.9(7) . . . . ? C40 C41 C42 C37 -1.0(7) . . . . ? C42 C37 C38 C39 -1.9(7) . . . . ? C43 C40 C41 C42 176.2(5) . . . . ? C44 N5 C51 C52 128.4(5) . . . . ? C44 N5 C51 C56 -51.8(6) . . . . ? C44 C35 C36 O2 -102.0(4) . . . . ? C44 C35 C36 C37 21.2(6) . . . . ? C44 C45 C46 N4 -0.3(5) . . . . ? C44 C45 C46 C47 -178.8(4) . . . . ? C44 C45 C50 C49 177.4(5) . . . . ? C45 C46 C47 C48 0.6(8) . . . . ? C46 N4 N5 C44 1.0(5) . . . . ? C46 N4 N5 C51 -170.5(4) . . . . ? C46 C45 C50 C49 -0.7(7) . . . . ? C46 C47 C48 C49 -0.1(8) . . . . ? C47 C48 C49 C50 -0.9(8) . . . . ? C48 C49 C50 C45 1.2(8) . . . . ? C50 C45 C46 N4 178.3(4) . . . . ? C50 C45 C46 C47 -0.2(7) . . . . ? C51 N5 C44 C35 -16.8(7) . . . . ? C51 N5 C44 C45 169.7(4) . . . . ? C51 C52 C53 C54 0.9(7) . . . . ? C52 C51 C56 C55 -2.9(7) . . . . ? C52 C53 C54 Br2 179.0(4) . . . . ? C52 C53 C54 C55 -2.5(8) . . . . ? C53 C54 C55 C56 1.4(7) . . . . ? C54 C55 C56 C51 1.3(7) . . . . ? C56 C51 C52 C53 1.8(7) . . . . ? _shelx_res_file ; TITL 9st-147_a.res in I2 9st-147.res created by SHELXL-2018/3 at 16:40:18 on 06-Aug-2020 REM Old TITL 9st-147 in I2 REM SHELXT solution in I2: R1 0.101, Rweak 0.041, Alpha 0.002 REM 0.000 for 0 systematic absences, Orientation as input REM Flack x = 0.000 ( 0.015 ) from 1759 Parsons' quotients REM Formula found by SHELXT: C56 N6 O2 Br2 CELL 1.54184 20.211869 7.986492 28.583262 90 99.5904 90 ZERR 8 0.00122 0.000426 0.001859 0 0.0062 0 LATT -2 SYMM -X,+Y,-Z SFAC C H Br N O UNIT 224 144 8 24 8 L.S. 20 PLAN 10 SIZE 0.1 0.11 0.13 CONF BOND list 4 MORE -1 BOND $H fmap 2 53 acta REM REM REM WGHT 0.074500 FVAR 2.04056 BR1 3 -0.118877 1.074039 0.675092 11.00000 0.02972 0.04586 = 0.03956 -0.00632 0.00107 0.01681 O1 5 0.178290 0.406533 0.550511 11.00000 0.02731 0.03116 = 0.03239 -0.00587 0.01620 -0.00063 N1 4 0.075289 0.493635 0.681790 11.00000 0.02019 0.02765 = 0.02128 0.00198 0.00670 0.00037 N2 4 0.080499 0.398333 0.721500 11.00000 0.03194 0.02967 = 0.02451 0.00881 0.00603 0.00539 N3 4 -0.054768 -0.316597 0.547737 11.00000 0.03140 0.02638 = 0.03749 0.00059 0.00839 0.00040 C1 1 0.160467 0.327011 0.676596 11.00000 0.01876 0.02053 = 0.02208 -0.00100 -0.00090 -0.00313 C2 1 0.217121 0.234671 0.668324 11.00000 0.02066 0.02456 = 0.02601 -0.00105 0.00138 0.00006 AFIX 43 H2 2 0.236178 0.253410 0.641335 11.00000 -1.20000 AFIX 0 C3 1 0.243121 0.117086 0.701086 11.00000 0.02348 0.02462 = 0.03446 -0.00494 -0.00233 0.00160 AFIX 43 H3 2 0.280460 0.055810 0.696119 11.00000 -1.20000 AFIX 0 C4 1 0.214692 0.085873 0.742515 11.00000 0.03192 0.02614 = 0.03651 0.00725 -0.00430 0.00085 AFIX 43 H4 2 0.233991 0.005379 0.764068 11.00000 -1.20000 AFIX 0 C5 1 0.159190 0.172364 0.751371 11.00000 0.03637 0.03346 = 0.02820 0.00912 0.00314 0.00082 AFIX 43 H5 2 0.139941 0.149730 0.778060 11.00000 -1.20000 AFIX 0 C6 1 0.132673 0.296189 0.718579 11.00000 0.02716 0.02408 = 0.02064 0.00161 0.00501 -0.00163 C7 1 0.122197 0.457122 0.653501 11.00000 0.01573 0.02061 = 0.02086 -0.00498 0.00388 -0.00126 C8 1 0.121889 0.547543 0.607218 11.00000 0.01586 0.02175 = 0.02194 0.00077 0.00391 0.00233 AFIX 13 H8 2 0.087094 0.634233 0.603607 11.00000 -1.20000 AFIX 0 C9 1 0.188730 0.627058 0.602989 11.00000 0.02169 0.01839 = 0.02165 0.00612 0.00398 0.00385 C10 1 0.217281 0.539790 0.569888 11.00000 0.02013 0.02059 = 0.02765 0.00196 0.00830 0.00239 C11 1 0.279876 0.577921 0.558780 11.00000 0.02228 0.03816 = 0.03495 0.00899 0.01172 0.00577 AFIX 43 H11 2 0.298924 0.515294 0.537023 11.00000 -1.20000 AFIX 0 C12 1 0.312189 0.714354 0.581947 11.00000 0.01957 0.03898 = 0.03392 0.01097 0.00907 -0.00225 AFIX 43 H12 2 0.354041 0.744790 0.575267 11.00000 -1.20000 AFIX 0 C13 1 0.284537 0.807679 0.614810 11.00000 0.02084 0.03398 = 0.03833 0.00024 0.00444 -0.00611 AFIX 43 H13 2 0.307692 0.899254 0.629507 11.00000 -1.20000 AFIX 0 C14 1 0.221704 0.764139 0.625906 11.00000 0.02431 0.02983 = 0.02942 -0.00043 0.00951 -0.00320 AFIX 43 H14 2 0.202706 0.825343 0.647973 11.00000 -1.20000 AFIX 0 C15 1 0.111745 0.434199 0.562014 11.00000 0.01938 0.02947 = 0.02309 0.00262 0.00412 0.00092 AFIX 13 H15 2 0.086020 0.498785 0.536002 11.00000 -1.20000 AFIX 0 C16 1 0.077055 0.268152 0.564136 11.00000 0.02316 0.02594 = 0.01711 -0.00200 0.00095 -0.00015 C17 1 0.008736 0.266319 0.567110 11.00000 0.02243 0.02521 = 0.02827 -0.00196 0.00245 0.00635 AFIX 43 H17 2 -0.013584 0.366464 0.570264 11.00000 -1.20000 AFIX 0 C18 1 -0.025655 0.117405 0.565401 11.00000 0.02106 0.02864 = 0.02912 -0.00122 0.00226 -0.00017 AFIX 43 H18 2 -0.070919 0.116875 0.567980 11.00000 -1.20000 AFIX 0 C19 1 0.007257 -0.032905 0.559804 11.00000 0.02586 0.02850 = 0.01797 0.00017 0.00296 0.00147 C20 1 0.076104 -0.031879 0.557495 11.00000 0.02504 0.02676 = 0.02219 0.00082 0.00550 0.00503 AFIX 43 H20 2 0.098501 -0.131810 0.554208 11.00000 -1.20000 AFIX 0 C21 1 0.110179 0.117423 0.560116 11.00000 0.01978 0.02823 = 0.02317 0.00017 0.00298 0.00446 AFIX 43 H21 2 0.155957 0.117830 0.559195 11.00000 -1.20000 AFIX 0 C22 1 -0.027571 -0.189642 0.553938 11.00000 0.02626 0.02547 = 0.02439 0.00100 0.00583 0.00311 C23 1 0.029326 0.630267 0.677385 11.00000 0.02024 0.03146 = 0.02067 0.00136 0.00610 0.00100 C24 1 0.053273 0.792261 0.684627 11.00000 0.02109 0.03367 = 0.02859 0.00189 0.00516 0.00196 AFIX 43 H24 2 0.099307 0.811315 0.690265 11.00000 -1.20000 AFIX 0 C25 1 0.009857 0.925373 0.683589 11.00000 0.02924 0.02763 = 0.02813 -0.00205 0.00404 0.00063 AFIX 43 H25 2 0.025776 1.034386 0.688229 11.00000 -1.20000 AFIX 0 C26 1 -0.058865 0.891550 0.675348 11.00000 0.02561 0.03737 = 0.02257 -0.00213 0.00456 0.01159 C27 1 -0.083764 0.731656 0.667617 11.00000 0.01652 0.05120 = 0.02553 0.00062 0.00438 0.00122 AFIX 43 H27 2 -0.129838 0.713242 0.661794 11.00000 -1.20000 AFIX 0 C28 1 -0.039917 0.599144 0.668572 11.00000 0.02568 0.03361 = 0.01969 -0.00283 0.00486 -0.00470 AFIX 43 H28 2 -0.056030 0.490474 0.663438 11.00000 -1.20000 AFIX 0 BR2 3 0.794095 -0.056159 0.533441 11.00000 0.02761 0.03857 = 0.04558 -0.00751 0.01517 0.00043 O2 5 0.463257 0.581646 0.604658 11.00000 0.01614 0.02797 = 0.04050 0.00914 0.00788 0.00178 N4 4 0.738077 0.638643 0.663575 11.00000 0.02120 0.03050 = 0.03078 -0.00003 -0.00272 -0.00120 N5 4 0.694486 0.527806 0.638960 11.00000 0.01652 0.02245 = 0.02534 0.00138 -0.00026 0.00038 N6 4 0.604943 1.320411 0.497469 11.00000 0.02987 0.03074 = 0.03974 -0.00177 0.00641 -0.00167 C29 1 0.524658 0.370855 0.646306 11.00000 0.01917 0.02626 = 0.02592 -0.00033 0.00559 -0.00259 C30 1 0.531769 0.238296 0.677982 11.00000 0.02674 0.03732 = 0.02923 0.00613 0.00612 0.00583 AFIX 43 H30 2 0.572398 0.181556 0.684959 11.00000 -1.20000 AFIX 0 C31 1 0.478139 0.191239 0.699060 11.00000 0.03697 0.03932 = 0.03241 0.01007 0.01080 -0.00214 AFIX 43 H31 2 0.482731 0.102595 0.720455 11.00000 -1.20000 AFIX 0 C32 1 0.417373 0.274886 0.688653 11.00000 0.02572 0.04197 = 0.02947 0.00213 0.01298 0.00094 AFIX 43 H32 2 0.381580 0.240586 0.702982 11.00000 -1.20000 AFIX 0 C33 1 0.408864 0.409013 0.657228 11.00000 0.02024 0.03452 = 0.03346 -0.00357 0.01002 -0.00184 AFIX 43 H33 2 0.368416 0.466672 0.650539 11.00000 -1.20000 AFIX 0 C34 1 0.463468 0.452538 0.636398 11.00000 0.02205 0.02589 = 0.02740 -0.00187 0.00463 0.00132 C35 1 0.572882 0.450519 0.617304 11.00000 0.01745 0.02244 = 0.02271 0.00114 0.00533 -0.00204 AFIX 13 H35 2 0.591546 0.363350 0.599181 11.00000 -1.20000 AFIX 0 C36 1 0.521760 0.560149 0.582381 11.00000 0.01566 0.02461 = 0.02541 0.00054 0.00304 0.00119 AFIX 13 H36 2 0.508149 0.494730 0.553367 11.00000 -1.20000 AFIX 0 C37 1 0.544963 0.727244 0.568094 11.00000 0.01645 0.02512 = 0.02096 0.00058 -0.00107 -0.00110 C38 1 0.590829 0.735978 0.536098 11.00000 0.02336 0.02632 = 0.02746 -0.00082 0.00524 0.00205 AFIX 43 H38 2 0.608958 0.637749 0.526169 11.00000 -1.20000 AFIX 0 C39 1 0.609152 0.886600 0.519383 11.00000 0.02676 0.02984 = 0.02356 0.00008 0.00187 -0.00114 AFIX 43 H39 2 0.639983 0.890729 0.498619 11.00000 -1.20000 AFIX 0 C40 1 0.581211 1.034387 0.533726 11.00000 0.02120 0.02689 = 0.02289 0.00003 -0.00131 -0.00293 C41 1 0.537166 1.029320 0.566522 11.00000 0.01847 0.02425 = 0.02692 -0.00246 0.00232 0.00353 AFIX 43 H41 2 0.519553 1.127645 0.576817 11.00000 -1.20000 AFIX 0 C42 1 0.520151 0.875374 0.583462 11.00000 0.01992 0.03261 = 0.02205 -0.00182 0.00403 -0.00300 AFIX 43 H42 2 0.491392 0.871441 0.605673 11.00000 -1.20000 AFIX 0 C43 1 0.595879 1.192922 0.513719 11.00000 0.02546 0.03222 = 0.02666 -0.00251 0.00365 0.00108 C44 1 0.628871 0.546182 0.645818 11.00000 0.01955 0.02236 = 0.01936 0.00254 0.00028 0.00062 C45 1 0.630242 0.677038 0.678154 11.00000 0.02555 0.01841 = 0.02432 0.00242 -0.00015 0.00105 C46 1 0.698735 0.730024 0.687856 11.00000 0.03265 0.02560 = 0.02166 0.00179 -0.00090 0.00061 C47 1 0.718226 0.860580 0.720450 11.00000 0.03697 0.03578 = 0.03312 -0.00106 -0.00860 -0.00528 AFIX 43 H47 2 0.762541 0.896834 0.726818 11.00000 -1.20000 AFIX 0 C48 1 0.670668 0.931765 0.742234 11.00000 0.05277 0.02810 = 0.02925 -0.00048 -0.00665 -0.00119 AFIX 43 H48 2 0.682865 1.017866 0.763858 11.00000 -1.20000 AFIX 0 C49 1 0.602403 0.878365 0.732935 11.00000 0.04472 0.03524 = 0.02108 -0.00051 0.00421 0.01085 AFIX 43 H49 2 0.571432 0.929562 0.748976 11.00000 -1.20000 AFIX 0 C50 1 0.581333 0.754408 0.701197 11.00000 0.03364 0.02735 = 0.02361 0.00219 0.00367 0.00541 AFIX 43 H50 2 0.536562 0.721777 0.694884 11.00000 -1.20000 AFIX 0 C51 1 0.720178 0.392145 0.614364 11.00000 0.01466 0.03157 = 0.02372 -0.00077 0.00112 0.00377 C52 1 0.756834 0.423891 0.578445 11.00000 0.02602 0.02732 = 0.02819 0.00787 0.00517 -0.00118 AFIX 43 H52 2 0.766074 0.533282 0.570430 11.00000 -1.20000 AFIX 0 C53 1 0.779614 0.289103 0.554539 11.00000 0.02088 0.03710 = 0.03103 0.00634 0.00911 0.00623 AFIX 43 H53 2 0.804840 0.307652 0.530633 11.00000 -1.20000 AFIX 0 C54 1 0.764621 0.129483 0.566476 11.00000 0.01495 0.03658 = 0.02948 -0.00085 0.00519 0.00413 C55 1 0.729229 0.095751 0.603268 11.00000 0.01880 0.02459 = 0.03068 0.00424 0.00498 0.00068 AFIX 43 H55 2 0.720403 -0.013946 0.611245 11.00000 -1.20000 AFIX 0 C56 1 0.707524 0.228813 0.627653 11.00000 0.01843 0.03051 = 0.02384 0.00444 0.00405 0.00124 AFIX 43 H56 2 0.684611 0.209526 0.652781 11.00000 -1.20000 AFIX 0 HKLF 4 REM 9st-147_a.res in I2 REM wR2 = 0.1160, GooF = S = 1.056, Restrained GooF = 1.056 for all data REM R1 = 0.0447 for 6865 Fo > 4sig(Fo) and 0.0456 for all 7084 data REM 595 parameters refined using 1 restraints END WGHT 0.0745 0.0000 REM Highest difference peak 1.193, deepest hole -0.802, 1-sigma level 0.095 Q1 1 0.7809 -0.0482 0.4956 11.00000 0.05 1.19 Q2 1 -0.1349 1.0692 0.6348 11.00000 0.05 1.03 Q3 1 -0.1020 1.0769 0.7200 11.00000 0.05 0.93 Q4 1 0.8133 -0.0600 0.5839 11.00000 0.05 0.92 Q5 1 -0.1217 0.9606 0.6783 11.00000 0.05 0.67 Q6 1 -0.1159 1.1925 0.6765 11.00000 0.05 0.65 Q7 1 0.8002 0.0605 0.5367 11.00000 0.05 0.65 Q8 1 0.7958 -0.1735 0.5379 11.00000 0.05 0.48 Q9 1 0.7482 0.1196 0.4981 11.00000 0.05 0.41 Q10 1 0.7410 -0.2305 0.4989 11.00000 0.05 0.36 ; _shelx_res_checksum 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268.950 170.884 6 17 4 0 118.849 317.937 7 17 -4 0 86.7941 104.746 6 18 4 0 9184.70 976.834 7 18 -4 0 8542.37 844.874 6 19 4 0-29.5233 66.2872 7 19 -4 0 47.7211 99.2354 6 20 4 0 15143.2 1085.81 7 21 4 0-79.6013 72.8995 7 22 4 0 1806.13 283.813 7 0 5 0 9491.84 655.462 20 0 -5 0 9672.10 910.846 1 0 5 0 9275.10 1005.68 16 0 -5 0 9156.70 940.462 14 0 5 0 10005.2 945.356 11 -1 5 0 11726.6 1000.03 11 1 5 0 9872.79 934.627 11 1 5 0 12086.9 747.712 20 -1 5 0 11635.7 1018.18 16 1 -5 0 11666.1 1059.27 14 -1 -5 0 11114.3 1063.33 14 1 -5 0 10776.7 964.812 1 -1 5 0 11638.6 683.514 20 -2 -5 0 28770.8 1810.13 14 2 -5 0 2752.84 516.664 1 2 -5 0 1099.43 703.821 15 -2 5 0 1895.74 491.808 16 -2 5 0 3114.68 556.345 11 -2 5 0 3039.65 337.239 20 2 5 0 25003.0 1146.24 20 2 -5 0 2015.50 523.901 14 -3 5 0 800.091 258.787 16 3 -5 0-102.341 132.534 15 3 5 0 532.209 246.397 20 3 -5 0 542.069 232.531 1 -3 5 0 576.513 234.837 11 3 5 0 716.284 264.878 12 -3 -5 0 369.447 215.594 14 4 -5 0 64.5338 179.064 15 -4 -5 0 5272.65 848.261 14 4 -5 0 9055.32 1027.76 1 -4 5 0 13998.3 1298.03 2 4 5 0 4586.63 517.279 20 -4 5 0 14098.3 1024.59 16 4 5 0 3477.05 582.693 12 5 5 0 30281.6 1809.39 12 -5 -5 0 31001.0 2033.25 14 5 -5 0 30463.7 1844.03 1 -5 5 0 34528.7 1946.94 2 -5 5 0 30860.5 1084.58 23 6 -5 0 214.240 557.008 15 -6 5 0 3566.18 683.049 2 -6 -5 0 11357.5 1320.59 14 6 5 0 1862.68 665.896 12 -6 5 0 1428.43 281.945 23 6 5 0 12422.1 882.160 20 7 -5 0 30045.6 1635.46 9 7 5 0 30936.9 1357.29 20 -7 5 0 26498.2 1903.22 2 -7 -5 0 29714.5 2158.84 14 -7 5 0 27154.6 1162.12 19 -7 5 0 28972.6 1085.33 23 7 5 0 27465.7 1899.25 12 8 5 0 909.037 518.531 12 8 -5 0 88.9146 233.614 15 -8 5 0 1227.70 252.219 23 -8 5 0 604.368 234.913 19 8 -5 0 231.961 182.638 9 -8 5 0 2208.39 874.978 2 -8 5 0 1537.49 590.810 10 -8 -5 0 3111.68 781.306 14 9 5 0 21427.9 1178.98 20 -9 -5 0 16463.0 1782.89 14 -9 5 0 15599.9 1601.26 2 9 -5 0 18061.3 1277.65 9 -9 5 0 18266.4 1028.70 19 -9 5 0 18219.2 1507.51 10 9 5 0 20186.2 1756.59 12 -10 5 0 428.358 230.087 19 -10 5 0 875.531 464.626 10 -10 5 0 3917.01 1128.09 2 10 5 0 3371.27 509.351 20 10 -5 0 939.637 408.893 9 -10 -5 0 18.0051 282.456 14 10 5 0 89.8566 193.670 12 10 -5 0-5.21744 235.763 15 11 -5 0 6103.26 739.533 9 -11 -5 0 5780.53 1131.80 14 11 5 0 8610.43 1182.87 12 -11 5 0 5369.15 999.229 2 -11 5 0 6383.60 669.562 19 11 5 0 7646.56 719.816 20 12 -5 0 245.073 217.454 9 12 5 0 1570.60 396.088 20 13 -5 0 10581.5 932.516 9 13 -5 0 11140.9 1120.44 6 -14 5 0-36.7723 108.817 17 14 -5 0 13.6661 109.259 6 15 -5 0 165.618 128.674 6 16 5 0 83.4746 129.043 7 16 -5 0-121.446 106.388 6 17 -5 0 13015.5 1030.58 6 17 5 0 10881.8 921.917 7 18 5 0-42.5582 70.5201 7 18 -5 0 1.02222 77.9889 6 19 5 0 5594.73 553.243 7 19 -5 0 6173.79 578.780 6 20 5 0-121.677 65.7912 7 20 -5 0 82.2366 83.4752 6 0 -6 0 105123. 3639.10 14 0 -6 0 98085.1 3385.21 5 0 6 0 99750.7 2237.47 20 0 -6 0 103721. 3096.90 9 -1 -6 0 10513.5 1141.61 5 1 6 0 5505.99 652.305 20 -1 6 0 33555.3 1971.72 16 1 -6 0 34501.2 2096.77 14 -1 -6 0 5253.73 744.969 9 1 -6 0 46702.3 2443.40 5 1 6 0 6768.89 1000.25 16 -1 -6 0 6181.70 911.364 14 1 -6 0 32914.9 1776.04 9 -2 -6 0 7526.35 981.118 14 2 6 0 8328.64 1035.33 16 -2 -6 0 7430.45 791.588 9 2 -6 0 8056.92 880.524 9 -2 6 0 6144.31 858.411 16 2 6 0 7230.83 646.422 20 2 -6 0 7258.87 925.637 1 2 -6 0 7633.72 921.495 5 -2 -6 0 7896.66 926.585 5 3 -6 0 20983.5 1617.83 1 -3 -6 0 8423.68 1045.07 5 3 6 0 5932.62 982.337 16 -3 6 0 13641.4 1151.63 16 3 -6 0 20952.6 1474.49 9 -3 -6 0 1871.19 522.828 9 3 6 0 6852.60 666.680 20 -3 -6 0 2002.61 579.537 14 3 -6 0 29448.1 1896.71 5 4 6 0 11657.9 838.988 20 -4 -6 0 12003.7 1173.25 5 4 -6 0 11342.1 1079.23 6 -4 6 0 10291.1 693.318 23 4 -6 0 13162.2 1278.60 1 -4 -6 0 13781.1 1463.40 14 4 6 0 11122.8 1241.76 16 4 -6 0 12809.9 1192.38 5 4 -6 0 14025.4 1198.30 9 -5 -6 0 654.589 564.699 14 5 -6 0 13996.7 1275.72 5 -5 6 0 8638.64 664.906 23 5 6 0 7037.43 717.281 20 5 -6 0 8379.13 946.205 9 5 -6 0 5296.78 817.382 6 5 6 0 3973.30 854.839 16 -5 -6 0 8885.06 1091.89 5 5 -6 0 10658.8 1193.94 1 6 -6 0 4450.78 682.690 5 -6 6 0 4791.33 482.399 23 -6 6 0 5007.36 532.776 19 6 6 0 4904.05 863.295 16 -6 -6 0 4662.77 721.093 5 6 6 0 5014.73 583.958 20 6 -6 0 3807.69 757.558 1 -6 -6 0 5316.24 971.530 14 6 -6 0 3982.88 682.661 6 6 -6 0 5202.21 727.062 9 7 -6 0 2608.89 680.474 1 7 6 0 3231.54 522.219 20 -7 -6 0 700.329 614.251 14 7 6 0 32.7633 247.302 16 7 -6 0 2744.36 680.337 5 -7 6 0 3582.76 475.021 19 -7 6 0 3988.75 443.313 23 7 -6 0 2478.45 569.593 9 -7 -6 0 1956.72 577.550 5 7 6 0-317.024 267.358 12 7 -6 0 2382.55 602.509 6 -8 -6 0 2207.28 648.624 14 -8 6 0 2511.71 393.828 19 8 6 0 2257.17 532.689 12 8 6 0 2534.04 435.553 20 -8 -6 0 1778.74 490.268 5 8 -6 0 2054.58 453.211 9 8 6 0 2446.97 647.980 16 8 -6 0 2344.77 503.124 6 8 -6 0 1751.24 520.215 1 9 6 0 2068.38 558.728 20 -9 6 0 9027.12 795.046 19 9 -6 0 6890.29 1034.60 6 9 -6 0 9413.48 1001.40 9 10 6 0 14730.4 1032.28 20 10 -6 0 14849.2 1206.18 9 -10 6 0 13278.0 952.306 19 10 6 0 12262.2 1397.12 16 10 -6 0 14778.4 1302.58 6 -11 6 0 626.258 297.108 19 11 -6 0 421.449 465.535 6 12 -6 0 11736.8 1148.43 6 12 -6 0 12254.8 1021.79 9 13 -6 0 1020.81 412.425 6 13 -6 0 709.771 261.142 9 14 -6 0 1047.17 313.746 6 14 -6 0 1145.36 269.922 9 15 -6 0 83.4840 108.758 6 16 -6 0 138.284 83.0947 6 17 -6 0 27.8141 160.288 6 18 -6 0 1078.70 228.501 6 19 -6 0-103.255 75.8632 6 0 -7 0 670.344 336.967 9 0 7 0 129.555 143.792 16 1 -7 0 28218.7 1747.33 9 1 7 0 29162.2 2001.02 16 1 -7 0 30488.8 2032.38 5 -1 -7 0 28336.7 1672.23 9 -1 -7 0 27805.4 1982.31 5 -1 7 0 27592.5 1834.67 16 2 7 0 1125.33 456.534 16 2 7 0 1233.20 339.150 20 -2 7 0 96.4583 177.096 16 -2 7 0 1054.63 282.666 23 -2 -7 0 425.532 253.363 9 -3 -7 0 4697.42 779.893 5 -3 -7 0 3870.59 599.046 9 3 -7 0 4598.59 790.033 5 3 7 0 2359.42 663.156 16 3 7 0 2136.50 387.860 20 3 -7 0 4761.74 734.288 9 -3 7 0 2876.36 393.035 23 4 7 0 133.657 156.190 16 -4 -7 0 1917.14 660.347 5 4 7 0 1594.91 353.827 20 4 -7 0 1824.30 527.788 9 -4 7 0 1049.87 237.372 23 5 7 0 357.744 362.137 16 -5 7 0 772.585 196.151 19 -5 7 0 529.086 154.713 23 5 7 0 560.528 201.206 20 5 -7 0 1139.32 333.702 9 -5 -7 0 528.709 297.581 5 5 -7 0 498.732 298.861 5 5 -7 0 652.671 247.626 6 -6 7 0 3155.23 407.353 23 -6 -7 0 3068.61 829.364 5 6 -7 0 15082.7 1439.02 5 6 -7 0 9390.92 1066.70 9 6 7 0 2233.65 445.466 20 6 -7 0 8576.74 951.418 6 -6 7 0 10449.5 830.237 19 7 -7 0 15829.3 1286.78 6 7 -7 0 15945.9 1306.17 9 -7 7 0 13457.5 917.174 19 8 -7 0-57.3512 104.925 9 8 -7 0-150.194 114.583 6 9 -7 0 8245.70 897.904 9 9 -7 0 8391.77 913.047 6 10 -7 0 1964.90 572.568 6 10 -7 0 2205.96 535.810 9 11 -7 0 4743.49 656.575 6 11 -7 0 4514.89 607.800 9 12 -7 0 3629.24 653.654 6 12 -7 0 3485.84 564.251 9 13 -7 0 11683.9 958.408 6 13 -7 0 9600.84 763.915 9 14 -7 0 2910.60 404.137 9 14 -7 0 3098.41 525.554 6 15 -7 0 3482.87 457.302 6 16 -7 0 70.4457 78.7571 6 17 -7 0 1437.08 227.533 6 0 -8 0 13787.4 1139.75 9 0 -8 0 13991.0 1417.22 5 1 -8 0 369.250 306.542 5 -1 -8 0-16.3796 106.950 9 -1 8 0-22.7127 89.3011 23 1 -8 0-76.1924 204.845 9 2 -8 0 3322.51 635.377 9 -2 -8 0 2805.90 498.411 9 3 -8 0 540.243 354.937 9 -3 -8 0-42.7920 74.5338 9 4 -8 0 7532.41 898.386 9 5 -8 0 1520.17 464.036 9 6 -8 0 3074.52 605.954 9 7 -8 0 115.625 132.624 6 7 -8 0 302.445 262.025 9 8 -8 0 1148.90 302.008 6 8 -8 0 1324.64 341.962 9 9 -8 0 685.396 304.258 9 9 -8 0 392.317 204.127 6 10 -8 0 2685.63 430.072 6 10 -8 0 2253.09 381.035 9 11 -8 0 180.506 152.218 6 11 -8 0 72.0682 93.2428 9 12 -8 0 16758.9 974.587 6 12 -8 0 15670.3 862.379 9 13 -8 0 61.6758 43.1881 9 13 -8 0 84.4026 114.088 6 14 -8 0 1627.98 252.545 6 0 -9 0-126.994 110.999 9 -1 -9 0 5028.54 553.556 9 1 -9 0 6732.18 701.353 9 2 -9 0-9.12329 63.8269 9 3 -9 0 2374.95 412.614 9 4 -9 0-13.8227 61.6010 9 5 -9 0 4402.39 646.881 9 6 -9 0 36.2838 51.1962 9 7 -9 0 751.789 219.521 9 8 -9 0 110.942 105.526 9 9 -9 0 2328.61 322.598 9 10 -9 0 35.3827 54.0440 9 24 0 -1 226.274 135.258 7 23 0 -1 833.230 231.772 7 22 0 -1 265.013 265.116 7 21 0 -1 13706.6 1212.76 7 20 0 -1 160.034 291.996 7 19 0 -1 3088.85 634.361 7 18 0 -1-29.5188 189.656 7 17 0 -1 2672.83 578.362 7 16 0 -1-99.2601 121.018 7 16 0 -1 152.289 146.574 12 15 0 -1 97913.9 3334.31 12 15 0 -1 104671. 3607.05 7 14 0 -1-22.1880 35.8951 22 14 0 -1-56.5406 137.964 12 -14 0 1-169.283 197.300 2 13 0 -1 1197.36 256.568 22 -13 0 1 1161.00 415.471 2 13 0 -1 1127.35 331.348 12 -13 0 1 1283.37 235.940 24 12 0 -1 466.218 198.386 22 12 0 -1 642.182 363.716 12 -12 0 1 404.956 185.666 24 -12 0 1 422.048 377.456 2 -11 0 1 47484.0 2069.30 2 11 0 -1 49370.3 2040.46 12 11 0 -1 50218.8 1456.81 22 -11 0 1 50674.6 1406.12 24 10 0 -1 68.9037 130.376 12 10 0 -1 22.1748 81.7636 22 -10 0 1 91.6649 78.9662 24 -10 0 1-12.8689 30.5025 2 -9 0 1 7885.59 741.069 2 9 0 -1 8217.27 769.011 12 9 0 -1 9323.28 568.322 22 -9 0 1 6870.98 360.368 17 -9 0 1 8702.84 490.783 24 -8 0 1 15.6250 42.4533 24 8 0 -1-17.7725 19.9632 20 8 0 -1-0.30504 59.0496 12 8 0 -1 50.5792 50.6415 22 -8 0 1-14.2781 29.2842 17 -8 0 1-39.4948 85.6496 2 -7 0 1 1721.67 181.978 24 -7 0 1 1427.59 265.899 2 7 0 -1 1631.05 210.032 22 7 0 -1 1679.58 305.143 12 7 0 -1 1726.26 139.218 20 -7 0 1 1401.78 143.141 17 6 0 -1 2.25239 22.8861 12 -6 0 1 23.6481 33.8769 2 -6 0 1 51.4617 41.5911 24 -5 0 1 38525.5 728.802 24 5 0 -1 41161.9 1265.73 12 4 0 -1 0.74144 28.4852 12 -4 0 1 0.12843 20.3257 2 -3 0 1 113758. 1486.46 2 3 0 -1 118880. 1615.78 12 2 0 -1 27.3818 23.8700 12 -2 0 1-19.6499 15.9169 2 -1 0 1 4093.45 180.789 2 1 0 -1 2620.98 143.602 12 1 0 1 89608.9 1042.85 13 -1 0 -1 72844.3 851.363 3 2 0 1-3.46968 8.16040 10 2 0 1-1.10583 9.11513 13 -2 0 -1 20.7017 23.1753 3 3 0 1 37308.1 1046.38 13 -3 0 -1 32103.4 909.955 3 4 0 1 7.26724 20.1972 12 -4 0 -1 15.6356 32.6467 3 4 0 1 5.84930 40.3605 13 -4 0 -1-3.36588 5.20030 17 4 0 1-18.1862 17.7546 22 -5 0 -1 30180.5 1139.85 3 -5 0 -1 49600.2 842.559 17 5 0 1 31810.4 730.610 22 -5 0 -1 33352.3 1070.48 2 5 0 1 35810.3 1296.63 13 5 0 1 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1333.36 12 -12 0 -1-60.1274 137.930 2 12 0 1-2.80967 11.2150 22 12 0 1 68.7070 78.5812 12 -13 0 -1 10278.8 1088.48 2 13 0 1 12521.4 1095.72 12 14 0 1 222.618 230.567 12 14 0 1-24.5710 77.2152 7 -14 0 -1-43.3671 173.573 2 15 0 1 2009.37 458.295 12 15 0 1 1864.00 471.516 7 16 0 1-525.783 252.045 7 17 0 1 9333.45 1106.33 7 18 0 1 20.6611 91.0443 7 19 0 1 13210.4 1278.60 7 20 0 1 76.8800 179.907 7 21 0 1 6383.71 791.551 7 22 0 1 239.046 163.770 7 23 0 1 4496.53 524.375 7 24 0 1 14.6625 72.9266 7 24 1 -1 10979.2 769.311 7 23 1 -1-26.8378 54.7881 7 22 -1 -1 1961.12 366.778 7 22 1 -1 2720.16 496.705 7 21 -1 -1 59.0419 61.9276 7 21 1 -1 180.930 228.332 7 20 1 -1 1551.70 423.054 7 20 -1 -1 1374.86 368.722 7 19 1 -1-170.801 191.526 7 19 -1 -1-42.8516 92.6602 7 18 1 -1 14244.4 1413.91 7 18 -1 -1 13922.8 1276.78 7 17 1 -1 834.965 487.163 7 17 -1 -1-80.7463 176.218 7 16 -1 -1 3536.70 659.872 7 -16 1 1 4081.50 889.091 2 16 1 -1 4441.92 773.948 12 16 1 -1 4127.49 745.786 7 -15 1 1-21.4668 30.4436 24 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3036.89 311.237 22 -6 2 2 3619.77 280.179 19 6 2 -2 4646.94 573.714 12 6 -2 -2 2548.95 329.015 12 -6 2 2 3606.68 271.265 23 6 -2 -2 1944.04 265.080 4 -6 2 2 3296.33 515.129 2 6 -2 -2 2711.51 389.070 15 5 -2 -2 50.5393 58.5845 12 -5 2 2 38.1733 72.1083 2 -5 2 2 33.2541 33.5238 23 5 -2 -2 1.88255 33.6050 22 5 2 -2 109.749 138.465 12 5 -2 -2-26.7865 31.6762 4 -4 2 2 74167.7 1923.36 2 4 2 -2 76657.5 1997.08 12 -4 2 2 93384.8 1208.91 23 -4 -2 2 88409.1 2128.34 14 4 -2 -2 76547.7 1630.79 4 4 -2 -2 85215.7 1643.74 12 4 2 -2 68330.2 775.503 18 4 2 -2 77883.6 1162.25 21 3 2 -2 53.3498 37.1576 18 -3 2 2 18.9374 53.8660 2 3 -2 -2 37.3925 40.3996 4 3 2 -2 30.8778 59.5488 11 -3 -2 2 123.037 137.236 14 3 -2 -2-9.79789 31.1748 15 3 2 -2 60.6015 86.3255 12 3 2 -2 20.6206 20.4159 21 -3 2 2 15.9473 25.2769 16 -2 2 2 41468.4 1169.37 16 -2 2 2 35159.8 1096.26 2 -2 2 2 40315.2 661.563 20 2 2 -2 42412.8 1333.72 11 2 -2 -2 48297.8 1258.41 14 -2 -2 2 41656.9 1355.99 4 1 -2 -2-25.2271 42.6182 15 -1 2 2-12.7044 12.6869 20 1 -2 -2 6.83463 35.5057 14 -1 2 2 10.1866 24.7780 2 -1 -2 2 3.64578 13.5281 13 -1 -2 2-36.7579 43.1466 1 -1 2 2 10.7795 24.4833 16 0 -2 -2 68084.7 1525.08 14 0 2 2 64976.5 1213.82 2 0 -2 2 59241.1 1082.49 13 0 -2 -2 59077.7 1434.19 1 0 -2 -2 54751.7 1397.96 15 0 -2 2 59560.4 1224.08 1 0 2 2 71081.7 1357.31 11 0 2 2 72365.1 1055.04 20 -1 -2 -2 8.28719 23.5712 15 -1 -2 -2-5.97800 32.9790 1 1 2 2 11.4942 20.3285 11 1 -2 2-7.80368 35.2386 13 1 2 2-8.44873 18.7739 20 1 -2 2 18.0770 39.5882 4 -1 -2 -2 9.12187 32.2804 14 1 2 2-20.2405 29.1148 2 1 2 2-12.6522 7.03716 13 -2 -2 -2 105543. 1957.43 14 -2 -2 -2 116423. 1953.65 15 2 2 2 103632. 1147.60 13 -2 2 -2 102966. 1486.74 3 2 -2 2 123802. 2531.78 15 2 -2 2 102414. 1965.80 13 2 -2 2 100940. 1996.73 14 2 2 2 117094. 1513.38 20 3 2 2-21.0024 22.3458 20 3 -2 2-163.519 87.5462 15 3 -2 2-37.3770 69.1626 13 3 2 2-7.32909 23.2947 13 -3 2 -2 7.13853 32.7369 3 -3 -2 -2-91.7942 100.071 15 -3 -2 -2 107.293 141.575 14 -4 2 -2 30292.2 965.450 3 4 -2 2 32112.5 1342.73 13 -4 2 -2 29256.3 606.599 23 4 2 2 32954.1 903.782 20 -5 2 -2 41.0059 46.6954 19 -5 2 -2 10.4010 20.8262 23 5 -2 2-111.723 102.987 13 5 -2 2-120.904 73.3116 15 -5 2 -2-103.060 65.8018 10 5 2 2-14.3964 46.6585 20 5 2 2-2.84257 28.9350 13 5 -2 2-3.27458 18.1921 12 -5 2 -2 15.4815 34.4355 3 6 2 2 50460.0 879.204 22 6 -2 2 57097.6 2131.71 13 6 2 2 44800.2 1228.56 13 6 2 2 57853.7 1222.33 20 -6 2 -2 61750.7 2086.80 2 6 -2 2 49060.1 1079.74 12 -6 2 -2 53152.0 1604.33 10 -6 2 -2 50751.8 1548.96 3 6 -2 2 46551.3 1515.25 15 -6 2 -2 57348.5 1154.20 19 -7 2 -2-97.6753 131.877 2 7 -2 2 33.5332 35.6247 12 7 2 2 59.9222 44.4253 22 -7 2 -2 14.9799 20.2324 10 7 -2 2-49.9387 56.2186 15 7 2 2-22.9820 45.7378 20 -7 2 -2-5.74691 3.78397 3 7 -2 2-92.2217 136.591 13 7 2 2 44.4351 84.7930 13 -7 2 -2 26.2258 42.8699 19 -8 2 -2 13424.0 881.753 10 8 -2 2 17150.5 1064.58 15 -8 2 -2 12001.2 918.281 3 8 2 2 14503.7 1132.32 12 8 2 2 11465.1 509.737 22 -8 2 -2 14400.4 1146.26 2 8 -2 2 12127.9 666.547 12 -8 2 -2 16842.2 751.872 19 8 -2 2 16510.9 1322.61 13 8 2 2 13639.3 636.791 20 9 2 2 0.16156 28.6083 20 9 2 2 32.2356 43.1972 22 -9 2 -2 34.5639 34.4142 3 9 -2 2-31.9430 102.738 15 -9 2 -2-71.7406 120.281 2 -9 2 -2 20.2130 109.217 10 -10 2 -2 39485.5 1008.16 24 10 2 2 45289.3 2231.38 12 10 2 2 41181.1 1194.63 20 -10 2 -2 43409.6 2264.05 2 10 2 2 39146.8 1101.26 22 11 2 2 32.1229 68.2504 22 -11 2 -2 90.4782 67.9834 24 12 2 2 47605.1 1390.96 22 -12 2 -2 52701.3 1615.01 17 12 2 2 55020.6 2640.74 12 -12 2 -2 49044.2 2635.45 2 -13 2 -2-124.102 140.591 2 13 2 2-26.1543 175.794 7 14 2 2 1069.04 341.821 12 14 2 2 1123.16 355.094 7 -14 2 -2 850.636 357.837 2 15 2 2-63.4259 52.7190 7 -15 2 -2-225.362 223.937 2 15 2 2 219.185 287.025 12 -16 2 -2 17353.4 1855.66 2 16 2 2 20601.6 1678.41 7 16 2 2 21428.6 1766.69 12 17 2 2-30.3400 132.457 7 18 2 2 22892.3 1754.89 7 19 2 2 45.4341 130.342 7 20 2 2 6876.54 890.406 7 21 2 2-166.761 56.5940 7 22 2 2 5772.23 683.151 7 23 2 2-11.2833 78.8464 7 24 2 2 4193.05 415.578 7 23 3 -2 402.638 144.587 7 22 3 -2 240.350 229.287 7 21 3 -2 12640.9 1083.79 7 20 3 -2 640.012 495.436 7 19 3 -2 19611.7 1560.71 7 18 3 -2 352.525 337.842 7 18 -3 -2 17.8690 68.9738 6 17 -3 -2 3016.03 545.068 6 17 3 -2 1483.57 357.329 7 16 3 -2 2429.85 787.030 7 -15 -3 2 20135.9 2185.02 14 15 3 -2 19050.7 1603.13 7 -15 3 2 25815.6 2278.75 2 -15 3 2 24278.3 1075.13 24 15 3 -2 20647.7 1873.44 12 14 3 -2 7663.97 1143.77 7 14 3 -2 9293.57 1329.52 12 14 3 -2 8343.18 688.550 20 -14 3 2 259.253 143.411 24 13 3 -2 24222.7 1139.72 20 13 -3 -2 31475.8 1900.34 8 13 3 -2 22764.1 1658.18 7 -13 3 2 24173.4 1005.61 24 -13 3 2 31465.4 2289.52 2 13 3 -2 26584.4 2047.70 12 -12 3 2-45.0671 93.2798 2 12 3 -2 278.907 235.668 12 12 -3 -2 182.056 118.740 15 12 3 -2-26.5541 77.0177 20 -11 3 2 1033.91 357.415 2 -11 3 2 1172.54 249.531 19 11 -3 -2 1470.66 377.193 15 11 3 -2 1046.44 365.971 12 11 3 -2 1047.19 219.963 20 -10 3 2 1509.26 285.225 19 -10 3 2 544.599 295.920 2 10 3 -2 48442.0 2556.58 12 10 3 -2 48395.3 1695.90 20 -9 3 2 75200.8 2976.50 2 -9 -3 2 72909.8 3109.90 14 9 3 -2 71707.7 2939.54 12 -9 3 2 76028.6 1670.38 19 -9 3 2 81985.8 2379.55 10 9 3 -2 72674.3 1904.76 20 9 -3 -2 81757.7 2552.45 15 8 3 -2 3140.27 613.187 12 8 -3 -2-88.5562 80.9159 15 -8 3 2-191.736 133.394 2 -8 -3 2 2994.29 663.936 14 -8 3 2 46.0988 75.0115 19 7 -3 -2 123732. 2974.51 15 7 -3 -2 119685. 2650.03 4 7 3 -2 126371. 3504.30 12 -7 3 2 122007. 3326.70 2 -7 -3 2 122890. 3498.33 14 -7 3 2 126093. 1920.62 19 -6 3 2 120.711 97.1882 23 6 -3 -2 183.376 141.469 4 6 -3 -2 25.7850 66.2368 15 -6 3 2 60.8707 38.4160 2 -5 3 2 7779.64 424.889 23 -5 -3 2 11246.3 922.585 14 -5 3 2 6262.74 645.955 2 5 -3 -2 10095.5 827.568 15 5 3 -2 8993.20 841.312 12 -4 3 2 25.7547 72.3292 16 -4 3 2-60.1855 46.1515 20 -4 3 2-46.9680 78.0492 2 4 -3 -2-50.1873 64.1440 15 4 3 -2 562.880 113.587 18 4 3 -2 535.650 142.841 21 -3 3 2 3175.84 219.006 20 -3 3 2 2873.99 391.913 2 3 -3 -2 3290.40 444.096 15 -3 -3 2 3304.67 457.238 14 -3 3 2 3055.10 379.046 16 3 3 -2 3135.91 251.712 21 3 3 -2 2845.67 405.698 12 3 3 -2 3171.45 436.486 11 -2 3 2-63.1323 81.7143 2 2 -3 -2 61.0395 118.967 14 2 3 -2 306.645 297.093 11 -2 3 2 23.4841 68.3616 16 2 3 -2-40.6431 41.5454 2 -2 3 2-7.53001 36.5944 20 -2 -3 2 98.0869 118.943 4 2 -3 -2-30.7905 47.4144 15 -2 -3 2 238.731 167.158 14 1 -3 -2 45676.1 1582.16 15 -1 -3 2 48863.0 1691.31 14 -1 3 2 42404.5 1317.78 2 -1 -3 2 39461.0 1621.11 4 -1 3 2 39416.4 959.451 20 1 -3 -2 47953.0 1560.43 14 1 3 -2 44806.6 1654.39 11 1 3 -2 41586.6 1103.97 2 1 -3 -2 43935.6 1526.45 1 -1 -3 2 41670.1 1303.65 1 -1 3 2 44002.4 1486.99 16 0 -3 2 12.1527 99.3724 4 0 -3 2 7.17855 27.6416 1 0 -3 -2 117.995 177.700 1 0 3 2-23.6314 24.0833 2 0 3 2 78.9152 91.5127 20 0 -3 2-25.6556 48.5953 14 0 3 -2-1.28979 50.3782 2 0 3 2-4.51884 13.6348 11 0 -3 -2 249.405 175.191 14 0 -3 2 0.39683 67.8715 15 0 -3 -2-1.09925 45.4399 15 -1 -3 -2 16549.1 955.198 14 1 -3 2 9138.95 995.268 15 -1 -3 -2 14826.5 865.019 1 1 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19.4040 87.3519 19 -6 3 -2 65.9845 59.0227 23 -6 3 -2-44.6570 69.8764 3 7 -3 2 39075.5 1912.38 15 -7 3 -2 41408.9 1161.54 19 -7 3 -2 40532.8 2056.43 2 7 -3 2 47650.8 1977.10 4 -7 3 -2 39432.6 973.173 23 7 3 2 44916.7 1282.07 20 7 3 2 43398.2 2033.03 12 -7 -3 -2 47653.5 2207.84 14 -7 3 -2 44255.2 1759.05 10 -8 3 -2 94.0906 129.011 19 8 3 2 4817.11 428.112 20 -8 -3 -2 6972.61 992.807 14 -8 3 -2-2.63078 51.4438 10 8 -3 2-59.1710 94.4133 4 -8 3 -2 43.3192 113.530 2 8 3 2 3497.72 686.603 12 9 -3 2 2468.44 489.628 4 -9 3 -2 2063.77 488.416 2 -9 3 -2 2185.43 414.484 10 9 3 2 2724.82 566.692 12 9 -3 2 1452.40 436.792 15 -9 3 -2 2745.65 367.342 19 9 3 2 2720.70 339.107 20 10 3 2 5632.01 1020.87 12 -10 3 -2 184.827 112.957 10 10 3 2 7558.43 681.289 20 -10 3 -2-425.528 235.165 2 -10 3 -2 211.042 185.222 19 10 -3 2 287.512 200.652 15 11 3 2 9032.25 1124.61 12 -11 3 -2 6770.06 1010.05 2 11 3 2 7543.91 598.256 20 -12 3 -2 131.180 116.359 2 12 3 2-14.1609 114.955 7 13 3 2 10940.4 1311.69 12 -13 3 -2 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473.437 2 14 4 -2 784.779 199.857 20 14 4 -2 388.953 138.527 7 13 4 -2 2361.31 402.740 20 -13 -4 2 1214.03 652.024 14 -13 4 2-118.444 107.299 2 13 4 -2 789.557 445.512 12 13 4 -2 1495.10 530.529 7 -12 -4 2 17616.1 1962.86 14 12 4 -2 18062.7 1423.54 7 12 4 -2 19172.7 1789.63 12 -12 4 2 21558.5 1194.50 19 12 -4 -2 16902.4 1171.47 9 12 4 -2 18346.7 1097.17 20 -12 4 2 20550.5 1934.79 2 11 4 -2 5904.03 1059.29 12 11 -4 -2-99.3238 104.109 9 -11 4 2-125.247 649.129 2 11 -4 -2 11.9306 120.474 15 -11 -4 2 8625.11 1330.47 14 -11 4 2 143.829 130.638 19 11 4 -2 7815.96 744.555 20 11 -4 -2-157.352 210.804 8 10 -4 -2 51211.3 2714.47 15 -10 4 2 39469.3 2424.86 2 10 4 -2 47762.4 2663.52 12 10 4 -2 51043.7 1800.82 20 -10 -4 2 43175.4 2734.47 14 -10 4 2 49967.5 2213.57 10 -10 4 2 45113.0 1487.38 19 9 4 -2 26612.2 1931.98 12 -9 -4 2 24650.1 2006.44 14 -9 4 2 1267.22 629.488 10 9 4 -2 22954.5 1283.51 20 -9 4 2 812.926 228.122 19 9 -4 -2 153.062 203.093 15 -9 4 2 149.834 292.171 2 -8 4 2 3534.12 365.356 23 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367.830 2 8 -4 2 913.287 442.397 15 -8 4 -2 1615.61 280.695 19 -9 4 -2-0.72587 20.0733 2 -9 4 -2 16.6477 59.2093 19 9 4 2 56.6299 162.912 12 9 -4 2-139.212 87.2151 15 -9 4 -2 59.8198 32.4811 10 -10 -4 -2 281.443 187.278 14 -10 4 -2 201.320 165.047 10 -10 4 -2 447.573 205.791 2 -10 4 -2 357.710 166.559 19 10 4 2 436.236 170.688 20 10 -4 2 211.912 221.958 15 -11 4 -2 105.303 198.346 10 -11 4 -2-202.501 75.9252 2 11 4 2-6.61859 88.7674 7 11 4 2 107.611 297.060 12 -12 -4 -2 25305.6 2311.05 14 12 4 2 37920.4 2546.71 12 12 4 2 30328.7 1811.75 7 -12 4 -2 27575.8 2256.86 2 12 -4 2 33505.5 1808.07 6 -13 -4 -2 473.129 1177.23 14 13 4 2 318.686 371.981 12 -13 4 -2 40.5172 52.4054 2 13 -4 2-27.7356 88.1999 6 13 4 2 501.703 349.322 7 -13 4 -2 88.4794 158.307 17 -14 4 -2 11388.2 978.175 17 14 4 2 10579.9 1101.43 7 -15 4 -2 39.4878 77.9405 17 15 -4 2-62.9256 45.2818 6 15 4 2-25.2969 101.600 7 16 -4 2 15182.4 1212.11 6 16 4 2 15155.6 1319.31 7 17 4 2-61.1874 73.2387 7 17 -4 2-64.2090 67.0690 6 18 -4 2 2932.77 458.971 6 18 4 2 2524.46 500.764 7 19 4 2-92.3016 132.455 7 19 -4 2 62.5186 79.7178 6 20 4 2 393.161 165.960 7 21 4 2-35.7622 11.8677 7 22 4 2 314.415 113.153 7 20 -5 -2-8.54443 71.4030 6 20 5 -2 35.2922 190.469 7 19 5 -2 7467.20 649.116 7 19 -5 -2 7870.62 668.683 6 18 -5 -2-2.85058 41.2216 6 18 5 -2-17.0308 66.4182 7 17 5 -2 3279.05 511.827 7 17 -5 -2 3182.52 532.310 6 16 5 -2 657.885 441.246 7 16 -5 -2 222.199 429.522 6 15 -5 -2 6293.91 881.304 6 14 -5 -2 111.907 128.598 9 13 5 -2 18784.4 1142.42 20 13 -5 -2 14819.9 1140.77 9 12 -5 -2 1287.16 566.505 9 -12 5 2 575.723 243.969 19 11 -5 -2 16400.0 1237.76 9 -11 5 2 18917.4 1093.41 19 11 5 -2 22315.5 1253.94 20 -11 5 2 16994.5 1754.37 2 11 5 -2 19792.2 1786.66 12 -11 -5 2 19672.9 2128.53 14 -10 5 2 905.465 288.517 19 -10 -5 2 1072.20 546.272 14 10 5 -2 4963.68 712.274 20 10 -5 -2 124.287 297.701 9 10 5 -2 725.217 412.744 12 10 -5 -2 66.6357 278.497 15 -10 5 2 2442.75 751.461 10 -10 5 2 4961.97 981.641 2 -9 5 2 41322.3 1521.11 19 9 -5 -2 40829.9 1989.91 9 9 5 -2 42729.1 2513.06 12 -9 -5 2 46051.9 2945.38 14 -9 5 2 39271.3 2198.33 10 9 5 -2 47927.8 1815.71 20 -9 5 2 35898.8 2386.04 2 -8 5 2 3695.13 822.018 2 8 -5 -2 1053.00 428.574 9 -8 -5 2 1958.76 593.437 14 8 5 -2 3308.94 552.951 20 -8 5 2 2057.30 329.808 23 8 5 -2 1277.14 519.547 12 -8 5 2 610.772 217.488 19 8 -5 -2-47.3979 184.198 15 -7 5 2 30438.1 2023.22 2 7 5 -2 34557.4 1728.49 20 7 5 -2 31571.5 2033.01 12 7 -5 -2 34816.0 1796.82 9 -7 5 2 29616.4 1118.12 23 6 5 -2 3906.78 533.229 20 -6 5 2 2616.24 582.037 2 6 5 -2 2236.96 635.770 12 -6 -5 2 3478.71 734.438 14 -6 5 2 4797.78 456.234 23 -5 -5 2 6376.24 940.019 14 5 5 -2 7465.55 915.926 12 5 5 -2 7789.57 697.161 20 5 -5 -2 4956.72 767.919 1 -5 5 2 6461.04 511.718 23 -5 5 2 7652.48 897.354 2 4 -5 -2 21526.1 1562.37 1 4 5 -2 14322.1 1005.17 20 -4 -5 2 15144.9 1417.02 14 -4 5 2 23156.4 1373.24 16 4 5 -2 13808.2 1260.08 12 -4 5 2 17941.5 1355.13 2 -3 -5 2 8791.95 1008.33 14 3 5 -2 9488.13 737.510 20 3 5 -2 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51144.0 1325.89 16 -1 -2 3 45210.7 915.790 13 -1 2 3 47377.9 782.161 20 1 -2 -3 49135.8 1260.51 14 -1 -2 3 42214.3 959.029 1 -1 -2 3 43746.3 1373.05 4 -1 -2 3 48401.8 1367.80 14 1 2 -3 43955.1 1097.51 12 -1 2 3 45000.2 1190.21 2 0 2 -3 11.6507 8.93112 12 0 -2 3-40.9994 44.3495 1 0 2 3-22.3972 27.0618 20 0 2 3-26.1472 27.7174 2 0 -2 3 25.2432 19.8516 13 0 -2 -3-30.8703 62.7935 15 0 2 3-32.8572 25.7601 11 0 -2 -3 12.6669 40.6901 14 0 -2 3-19.1196 43.3308 14 0 -2 -3-5.38152 17.9613 1 1 -2 3 30856.9 1288.63 15 -1 -2 -3 23250.2 926.682 1 1 2 3 21179.0 607.694 2 1 2 3 22928.4 609.083 20 1 2 3 20172.3 602.629 13 1 -2 3 23402.0 888.250 13 -1 2 -3 18229.8 470.688 12 -1 -2 -3 24727.4 904.634 14 1 -2 3 27933.7 1035.36 14 -1 -2 -3 24258.8 873.138 15 2 -2 3 66.0290 106.487 14 -2 -2 -3 51.0742 115.696 14 -2 2 -3 10.1244 31.4222 3 2 2 3-1.61831 29.1279 20 2 -2 3-64.1703 93.3048 13 2 2 3 36.1488 39.2837 13 2 -2 3-188.799 98.1106 15 -2 -2 -3-2.43082 35.9708 15 3 -2 3 105333. 2436.91 15 -3 -2 -3 107751. 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54.1376 14 -1 -3 -3 28.9936 73.9262 1 -1 3 -3 3.07727 35.7720 3 -1 -3 -3 68.6018 80.1024 15 1 -3 3 17.3390 149.251 4 1 3 3-11.3452 16.0090 13 1 -3 3-10.0717 28.1330 13 1 3 3-6.78964 25.8853 20 1 3 3-13.6844 20.5305 2 1 -3 3 17.6168 27.6124 14 -2 3 -3 3346.43 329.920 3 2 3 3 3770.55 303.268 20 2 -3 3 3673.61 507.051 4 -2 -3 -3 4134.41 473.207 14 2 -3 3 915.187 354.819 15 2 -3 3 4268.56 489.829 14 2 -3 3 4282.33 449.414 13 -2 -3 -3 408.599 366.124 15 3 3 3 14.2092 63.4480 20 -3 -3 -3 3.38690 58.4922 15 3 -3 3 133.498 95.5968 13 -3 -3 -3 2.10845 60.0660 14 -3 3 -3 19.3412 54.9569 3 3 -3 3 48.2927 124.442 4 4 3 3 91767.7 1629.69 20 -4 3 -3 74331.2 2323.92 2 4 -3 3 84772.8 2440.54 13 4 -3 3 83013.8 2554.63 4 -4 3 -3 85341.0 1759.55 16 -4 3 -3 81361.5 1716.74 3 -4 -3 -3 76752.0 2278.51 14 -5 3 -3-29.8781 40.6554 16 5 -3 3-0.44050 40.4018 15 -5 3 -3 11.8076 36.8807 23 5 -3 3 26.0941 82.1456 13 -5 3 -3 57.9235 77.7056 19 -5 3 -3-98.5891 156.588 2 5 -3 3 37.6034 70.8144 4 -5 3 -3 21.5362 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73369.4 2838.47 7 13 4 3 82184.9 3765.59 12 -14 4 -3 127.031 128.211 17 14 4 3 291.071 211.609 7 14 -4 3 15.4916 108.816 6 -15 4 -3 8790.31 836.955 17 15 -4 3 10867.4 1041.81 6 15 4 3 11527.7 1149.77 7 16 4 3-129.878 162.996 7 16 -4 3 30.5939 66.6095 6 17 -4 3 2266.15 435.178 6 17 4 3 2107.81 478.065 7 18 4 3-77.2688 66.5987 7 18 -4 3-15.0486 79.2758 6 19 -4 3 1090.57 244.730 6 19 4 3 981.875 275.566 7 20 4 3-22.0069 47.3305 7 21 4 3 952.425 229.967 7 20 5 -3 1086.64 196.274 7 20 -5 -3 1758.28 275.922 6 19 5 -3 230.988 269.926 7 19 -5 -3-70.1096 144.081 6 18 5 -3 1244.89 294.304 7 18 -5 -3 1451.48 330.567 6 17 -5 -3-67.4992 35.4426 6 17 5 -3 87.2798 187.316 7 16 -5 -3 15453.5 1251.55 6 16 5 -3 14133.4 1125.39 7 14 5 -3 6235.15 671.998 20 14 -5 -3 5813.27 696.180 9 13 -5 -3 185.113 185.922 9 13 5 -3 5525.13 627.932 20 12 5 -3 42571.5 1770.93 20 12 -5 -3 40400.8 1958.23 9 12 5 -3 41254.6 2648.37 12 -12 5 3 39185.5 1644.00 19 11 -5 -3-21.1649 120.663 15 11 -5 -3 342.440 229.824 9 -11 5 3 522.361 243.795 19 11 5 -3 6940.36 791.967 20 11 5 -3 914.957 498.807 12 -11 -5 3 223.941 302.843 14 -11 5 3 5364.63 1134.13 2 10 -5 -3 13245.1 1707.68 15 -10 -5 3 20968.2 2078.48 14 10 -5 -3 16920.6 1292.68 9 10 5 -3 18922.3 1172.36 20 -10 5 3 17168.6 1004.49 19 -10 5 3 15159.5 1357.23 10 -10 5 3 16011.1 1672.90 2 10 5 -3 17786.1 1651.69 12 9 5 -3 1102.15 320.757 20 -9 5 3 621.370 227.938 19 -9 5 3 287.584 128.796 2 9 -5 -3-22.7487 156.624 15 9 -5 -3 127.114 132.260 9 -9 5 3 578.865 338.851 10 8 5 -3 10503.5 1182.83 12 -8 5 3 8691.11 1121.48 2 8 -5 -3 9480.36 961.695 9 8 5 -3 7548.57 772.482 20 -8 -5 3 11147.5 1369.68 14 -8 5 3 9179.98 685.341 19 -8 5 3 8111.29 620.365 23 -7 -5 3 13746.1 1500.39 14 7 5 -3 17246.5 1114.55 20 -7 5 3 3558.10 418.538 23 -7 5 3 1597.34 521.291 2 7 -5 -3 1673.78 625.165 15 7 5 -3 8115.07 1117.21 12 7 -5 -3 1915.54 538.562 9 -6 5 3 12453.0 726.093 23 6 5 -3 13827.9 1259.66 12 6 5 -3 16327.1 1045.82 20 -6 -5 3 15371.6 1492.04 14 -6 5 3 12803.8 1245.71 2 -5 -5 3 3359.90 731.359 14 -5 5 3 1582.84 463.439 2 5 -5 -3 187.813 342.772 15 -5 5 3 5040.87 467.031 23 5 5 -3 2209.76 625.335 12 5 -5 -3 4116.73 763.919 1 -4 5 3 59842.9 1558.51 23 4 5 -3 65372.3 2490.52 12 -4 -5 3 64879.3 2828.58 14 4 -5 -3 59499.0 2567.79 1 3 -5 -3 6717.00 845.405 1 -3 5 3 4169.71 625.685 16 -3 -5 3 4533.27 750.217 14 3 5 -3 5092.21 746.922 11 2 -5 -3 27652.9 1652.86 1 -2 5 3 28017.4 1597.69 16 2 5 -3 29225.9 1721.79 11 -2 5 3 31155.7 1015.69 20 1 -5 -3 20.4401 262.533 15 -1 5 3 2399.64 543.726 16 -1 -5 3 11005.2 1082.05 14 1 -5 -3 5171.85 729.018 14 -1 5 3 2675.17 333.418 20 1 5 -3 10242.0 1049.95 11 1 -5 -3 6387.60 796.552 1 0 -5 -3 54579.0 2306.11 1 0 5 3 54007.4 1432.98 20 0 -5 -3 56001.6 2299.11 14 0 5 -3 52964.5 2287.71 11 0 5 3 49962.8 2326.57 16 1 5 3 7780.59 603.940 20 1 -5 3 1309.83 331.044 1 1 5 3 9560.62 1085.73 16 1 -5 3 3990.89 642.267 14 -1 -5 -3 221.387 821.997 15 -1 -5 -3 11173.1 1068.73 14 -1 5 -3 2979.09 592.093 11 -2 -5 -3 2325.10 495.958 14 2 -5 3 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12 -6 4 4 11797.0 637.559 23 5 4 -4 19009.4 864.300 21 5 4 -4 12197.3 1190.54 12 -5 -4 4 11237.8 1276.21 14 5 -4 -4 271.498 285.410 15 4 4 -4 37092.1 1070.21 21 -4 -4 4 35072.0 1818.19 14 4 4 -4 38115.3 1740.79 12 4 4 -4 33110.0 1726.71 11 -4 4 4 34837.1 1676.07 2 4 -4 -4 33617.6 1778.53 15 3 4 -4 7167.73 496.725 21 -3 4 4 164.679 173.589 16 -3 -4 4 9542.81 969.417 14 3 -4 -4 401.687 347.698 15 3 4 -4 3973.54 895.548 12 3 4 -4 11028.8 997.967 11 3 -4 -4 12.3600 122.772 1 2 -4 -4 59143.8 2064.87 14 2 -4 -4 61232.9 2326.08 15 2 4 -4 54351.5 1841.32 12 -2 4 4 47660.9 1926.12 16 -2 -4 4 61248.8 2284.53 14 -2 -4 4 52216.0 2235.52 4 2 -4 -4 54785.9 2096.31 1 -2 4 4 59551.8 1659.78 11 2 4 -4 52682.2 2105.44 11 -2 4 4 58688.2 1938.46 2 1 -4 -4 3938.98 670.283 1 1 4 -4 525.418 410.212 12 1 -4 -4 1276.88 483.530 14 -1 -4 4 3124.55 553.494 14 -1 4 4 784.282 211.582 20 -1 -4 4 4186.04 701.389 4 1 4 -4 2606.93 571.142 11 -1 4 4 77.6413 86.5848 11 1 -4 -4 2337.34 673.744 15 -1 4 4 877.310 406.926 16 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275.391 20 -5 4 -4 54.7432 51.5725 19 -5 -4 -4 1184.25 449.836 14 5 -4 4 31.6848 129.916 4 -5 4 -4-7.22683 90.0725 10 6 4 4 3581.45 394.540 20 -6 4 -4 3041.64 556.090 10 -6 4 -4 3496.24 307.022 23 -6 4 -4 2642.99 559.068 2 -6 -4 -4 1986.57 444.141 14 6 -4 4 3255.95 619.525 4 -6 4 -4 3303.85 362.947 19 -7 4 -4-98.7269 67.6065 2 -7 4 -4 70.2320 102.206 19 7 -4 4 11.6206 53.4859 4 -7 4 -4-55.9731 64.8678 10 8 -4 4 23278.6 1694.86 4 -8 -4 -4 16744.5 1524.80 14 8 4 4 22925.8 1693.79 12 -8 4 -4 21160.2 1017.86 19 -8 4 -4 19606.8 1683.33 2 8 4 4 21283.5 1460.83 16 8 4 4 19922.7 1075.15 20 -8 4 -4 19977.8 1474.63 10 9 -4 4-29.0705 51.7785 6 -9 4 -4 89.4320 79.7275 19 9 4 4 17.9794 176.577 16 -9 -4 -4 302.931 279.463 14 9 4 4-52.0177 52.5271 12 -9 4 -4 128.308 153.710 2 -9 4 -4 33.9233 78.5012 10 10 -4 4 34145.3 1759.79 6 10 4 4 33064.1 1870.26 16 -10 4 -4 31542.3 2315.50 2 10 4 4 38638.0 2397.10 12 -10 4 -4 32252.7 2032.40 10 11 4 4 136.757 369.227 16 -11 -4 -4 900.459 779.380 14 11 4 4 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2941.53 488.966 7 17 -5 -4 2378.93 473.245 6 16 5 -4 344.949 508.254 7 16 -5 -4 207.111 395.825 6 15 -5 -4 14947.2 1079.17 9 14 -5 -4 81.0924 168.794 9 -14 5 4 417.344 212.414 24 13 5 -4 625.587 274.036 20 13 -5 -4 971.372 281.605 9 12 -5 -4 6.34735 115.167 9 -12 5 4 528.379 214.723 19 11 5 -4 22882.7 1349.30 20 11 -5 -4 10812.5 1553.54 15 11 -5 -4 16014.0 1269.53 9 11 5 -4 18543.0 1726.19 12 -11 5 4 16588.4 1011.27 19 -11 -5 4 19310.7 2055.03 14 -11 5 4 16812.3 1746.53 2 10 -5 -4 1059.37 362.436 9 10 -5 -4 394.298 342.484 15 10 5 -4 193.301 160.378 20 -10 -5 4 474.771 469.075 14 10 5 -4 856.032 697.717 12 9 -5 -4 1103.33 346.845 9 -9 -5 4 1048.86 425.523 14 -9 5 4 1705.23 292.092 19 9 -5 -4 368.068 316.162 15 9 5 -4 2410.09 533.082 20 9 5 -4 2270.75 574.250 12 -9 5 4 2028.16 549.663 2 -8 5 4 1025.69 261.691 23 8 5 -4 569.630 497.451 20 -8 5 4 714.278 238.947 19 8 -5 -4 244.866 234.034 15 8 5 -4 847.902 561.762 12 8 -5 -4 179.897 232.394 9 -8 5 4 80.8769 153.634 2 -7 5 4 11036.8 1205.47 2 -7 -5 4 13620.7 1468.06 14 7 5 -4 14708.1 1025.31 20 7 -5 -4 10932.9 1468.74 15 -7 5 4 11808.6 722.979 23 7 -5 -4 13082.3 1144.36 9 7 5 -4 11646.3 1189.09 12 -6 -5 4 5134.87 893.427 14 6 -5 -4-6.21006 165.942 15 6 5 -4 3236.99 757.487 12 -6 5 4 3653.65 435.195 23 6 -5 -4 1535.58 461.041 9 -6 5 4 690.406 444.556 2 -5 -5 4 22001.9 1723.32 14 -5 5 4 18877.5 893.689 23 5 5 -4 20324.4 1423.60 12 -5 5 4 21902.8 1525.77 2 5 -5 -4 21316.9 1623.39 1 -4 5 4 9008.91 675.944 23 4 -5 -4 8342.63 1056.32 1 -3 -5 4 17965.6 1455.06 14 -3 5 4 17253.7 1204.10 16 3 -5 -4 15708.3 1292.24 1 3 5 -4 14922.6 1268.55 11 -2 -5 4 14131.8 1256.83 14 2 5 -4 14216.5 1264.02 11 1 -5 -4 12254.6 1108.14 1 1 5 -4 10103.7 1018.05 11 -1 5 4 8450.56 988.537 16 -1 -5 4 13522.9 1196.46 14 1 -5 -4 13158.5 1125.00 14 0 -5 -4 1157.46 685.453 15 0 5 4 4833.76 468.328 20 0 5 4 1681.48 552.026 16 0 -5 -4 8988.92 1017.57 14 0 -5 4 25282.0 1674.50 14 0 5 -4 17923.1 1380.73 11 0 -5 -4 11332.9 1128.99 1 1 -5 4 23759.1 1784.32 4 1 -5 4 27273.7 1677.11 14 1 5 4 26307.9 1650.86 16 -1 -5 -4 21916.0 1465.50 14 1 5 4 25060.0 1016.71 20 -1 5 -4 23506.7 1552.34 11 2 -5 4 635.532 375.744 4 2 -5 4-60.5830 42.8310 1 2 -5 4 1493.28 412.541 14 2 5 4 1182.31 526.218 16 2 5 4 1594.88 314.989 20 -2 5 -4 1155.39 392.741 16 3 5 4 26796.7 1113.25 20 -3 5 -4 28386.3 1689.61 2 3 5 4 26254.2 1665.16 16 3 -5 4 29110.0 1550.19 1 -3 5 -4 29342.8 1534.54 16 -3 -5 -4 24682.6 1681.48 14 3 -5 4 28064.5 1984.88 4 4 -5 4 58.4078 97.4840 1 -4 5 -4 134.890 178.816 2 -4 -5 -4 3505.94 648.499 14 4 5 4 2117.31 393.595 20 4 5 4 4290.53 675.554 16 -4 5 -4 359.865 181.141 23 4 -5 4 246.411 238.265 4 -4 5 -4 59.2905 371.802 10 -5 5 -4 18465.5 797.027 23 5 5 4 16528.8 1366.12 16 -5 5 -4 16821.5 885.583 19 -5 -5 -4 13416.1 1337.45 14 5 5 4 18750.4 980.937 20 5 -5 4 17754.6 1625.89 4 -5 5 -4 17317.6 1499.24 2 -5 5 -4 16701.6 1402.07 10 -6 5 -4 2.11169 154.198 2 6 5 4 732.599 245.469 20 6 -5 4-22.1118 108.507 9 6 -5 4 40.3498 110.944 6 6 -5 4 129.073 177.309 4 -6 -5 -4 68.5075 272.999 14 -6 5 -4-16.3468 72.5263 19 6 5 4 178.308 276.698 16 -6 5 -4 151.888 150.189 10 -7 5 -4 7629.71 641.850 19 -7 5 -4 6621.88 1006.02 2 7 -5 4 7452.79 1061.27 4 -7 -5 -4 3850.58 789.025 14 7 5 4 6985.81 922.687 16 7 5 4 7353.36 978.877 12 -7 5 -4 8581.35 1070.47 10 7 -5 4 5971.42 752.396 6 7 -5 4 6922.41 743.992 9 8 -5 4-73.3778 38.4775 6 8 5 4 486.637 798.873 16 8 -5 4 62.0675 111.664 9 -8 5 -4-173.644 166.450 2 -8 5 -4 27.8488 106.427 19 -8 -5 -4 201.818 493.039 14 8 5 4 263.092 220.507 12 -8 5 -4 178.699 253.041 10 9 -5 4 6232.39 705.502 9 9 5 4 6010.90 961.964 12 9 5 4 4346.60 743.188 16 -9 5 -4 5317.78 955.098 2 -9 -5 -4 3584.07 849.609 14 -9 5 -4 6187.41 626.192 19 9 -5 4 6638.25 815.293 6 -10 5 -4 75.2186 30.0150 19 10 5 4-159.650 200.464 12 -10 -5 -4-6.24966 185.563 14 10 5 4-91.7371 202.395 16 -10 5 -4-160.366 74.0581 2 10 -5 4 13.9705 66.2576 9 10 -5 4-16.0199 48.4552 6 11 -5 4 13609.7 1156.12 6 11 -5 4 14560.0 1070.38 9 -12 5 -4 56.9049 108.281 17 12 -5 4-76.9126 7.04293 6 13 -5 4 12585.3 1135.27 6 -13 5 -4 14875.4 1140.12 17 14 -5 4-40.6675 18.9341 6 15 5 4 10544.2 952.895 7 15 -5 4 9767.87 947.160 6 16 5 4 105.177 93.5961 7 16 -5 4 45.4272 129.838 6 17 -5 4 441.239 183.431 6 17 5 4 201.744 117.149 7 18 5 4-58.0999 80.8401 7 18 -5 4-85.4507 81.0488 6 19 5 4 2722.74 347.952 7 19 -5 4 2834.55 349.945 6 19 -6 -4 1530.04 302.935 6 18 -6 -4 1974.06 330.149 6 17 -6 -4 1126.88 476.235 6 16 -6 -4 6829.45 734.142 6 15 -6 -4 277.752 214.577 9 15 -6 -4 290.743 198.397 6 14 -6 -4 3689.29 657.676 6 14 -6 -4 3568.71 516.070 9 13 -6 -4 1783.05 478.947 9 12 -6 -4 6643.89 790.355 9 -11 6 4 6460.29 686.747 19 11 -6 -4 4042.90 692.555 9 10 6 -4 7099.49 726.320 20 -10 6 4 6176.20 633.166 19 10 -6 -4 7799.51 919.094 9 9 6 -4 1458.03 428.832 20 9 -6 -4 4453.46 780.528 9 -8 6 4 3176.29 438.218 19 8 -6 -4 2774.53 691.938 1 8 6 -4 3335.47 516.357 20 -8 -6 4 2959.56 769.926 14 -8 -6 4 2659.60 534.856 5 -8 6 4 2468.39 373.253 23 8 -6 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255.395 16 -1 -6 -4 904.968 425.291 5 -2 6 -4 24842.1 1758.80 16 -2 -6 -4 25853.4 1879.93 14 2 -6 4 36107.9 1828.56 9 -2 -6 -4 30468.7 2098.89 5 -2 6 -4 24973.1 1771.88 10 -2 6 -4 31084.2 1944.77 11 2 -6 4 34161.2 2044.51 5 2 6 4 36581.2 2166.97 16 3 -6 4 134.904 191.651 6 -3 -6 -4 140.217 317.026 14 -3 -6 -4 1340.49 469.517 5 3 -6 4 1146.14 448.520 9 3 -6 4 1362.48 728.395 5 4 -6 4 5410.13 786.436 5 4 6 4 4605.91 840.619 16 -4 6 -4 5220.08 519.258 19 4 6 4 4387.62 729.586 12 -4 6 -4 5681.74 492.695 23 -4 -6 -4 3868.97 778.486 14 -4 -6 -4 5243.96 786.979 5 4 -6 4 6144.50 756.287 9 4 -6 4 6024.23 746.836 6 5 -6 4 131.721 290.048 9 5 -6 4 91.3743 163.455 6 5 6 4-110.373 103.533 16 5 6 4-46.7785 132.286 12 -5 -6 -4 17.5514 152.440 14 5 -6 4 522.371 385.221 5 -6 6 -4 45888.8 1638.29 19 6 -6 4 43064.2 2161.54 5 6 6 4 40307.1 2443.16 16 6 6 4 41344.0 2320.84 12 6 -6 4 47310.3 2138.74 9 6 -6 4 45395.1 2099.74 6 7 -6 4 390.364 296.518 5 7 -6 4 346.852 346.037 6 -7 -6 -4-21.0134 365.527 14 7 6 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40613.5 2107.82 6 -8 -7 4 5528.37 940.743 5 8 -7 -4 3730.41 719.174 9 8 -7 -4 3415.99 683.857 6 -7 7 4 39711.0 1560.51 19 7 7 -4 41536.8 1718.34 20 -7 7 4 36102.5 1419.71 23 -7 -7 4 40026.4 2126.20 5 7 -7 -4 41366.6 2148.76 6 7 -7 -4 43193.9 2260.82 9 -6 7 4 3791.98 469.152 23 -6 -7 4 120.217 198.374 5 6 -7 -4 4516.00 715.962 6 5 -7 -4 2355.96 553.191 9 -5 -7 4 5779.83 1204.42 5 5 7 -4 1824.51 359.502 20 -5 -7 4 4874.38 758.669 9 5 7 -4 2395.04 681.180 16 -5 7 4 1444.72 293.147 23 -4 -7 4-93.4012 158.602 9 4 -7 -4 203.375 119.701 9 -4 -7 4-129.427 222.316 5 4 7 -4-111.212 144.073 16 -4 7 4 108.864 89.6063 23 4 7 -4 189.149 155.677 20 3 7 -4 1213.85 276.394 20 -3 7 4 1607.36 343.030 23 3 -7 -4 1674.01 440.630 9 -3 -7 4 2017.09 587.324 5 3 7 -4 1161.34 379.129 16 -3 -7 4 1127.07 341.376 9 2 -7 -4 296.951 335.108 9 -2 -7 4-57.9473 102.979 9 2 7 -4 181.821 277.787 20 2 7 -4-125.995 129.271 16 -2 7 4 128.179 91.8863 23 -1 -7 4 7508.15 1013.13 5 -1 -7 4 6176.34 790.931 9 1 7 -4 4648.66 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22.7963 13 1 -3 5-12.9374 36.4072 13 1 3 5-25.1658 8.84191 16 1 3 5-2.71022 47.0064 2 1 -3 5 104.092 123.305 4 1 -3 5-19.9461 58.8805 14 2 -3 5 21186.5 1125.86 13 -2 -3 -5 19225.7 1032.42 14 2 3 5 19713.2 1075.46 16 2 3 5 20907.4 730.583 20 2 3 5 20203.7 738.461 13 2 -3 5 23621.0 1205.91 14 2 -3 5 22218.0 1358.60 4 -2 3 -5 19927.3 937.468 3 -2 3 -5 20968.5 1121.26 10 -2 -3 -5 24492.7 1107.05 15 3 3 5 26.1937 11.6870 13 -3 3 -5 9.89181 21.5366 3 3 3 5-8.60607 70.4775 16 -3 -3 -5-20.9393 52.0631 15 3 3 5-14.2195 27.4640 20 3 -3 5 31.9811 48.8202 13 -3 -3 -5-4.85241 78.4520 14 -3 3 -5 14.6063 22.3284 10 -4 3 -5 29887.6 1415.30 10 -4 3 -5 28026.6 845.282 19 4 3 5 28311.0 954.063 20 4 -3 5 30739.1 1531.21 13 -4 3 -5 28549.1 681.833 23 4 3 5 29929.6 1346.94 16 -4 3 -5 28656.8 1177.65 3 -5 3 -5-4.98409 92.0925 10 5 3 5-4.16723 61.7359 16 -5 3 -5 26.0314 39.9775 3 -5 3 -5 41.2847 46.3489 19 -5 3 -5 15.1951 37.3713 23 -5 -3 -5 89.0584 229.164 14 5 3 5 155.492 116.193 20 5 -3 5-98.8576 106.778 13 -6 3 -5 11336.3 848.930 3 6 -3 5 10047.4 990.259 13 -6 -3 -5 9251.22 895.946 14 6 3 5 11057.0 861.884 16 -6 3 -5 11374.9 597.916 19 -6 3 -5 12791.5 994.574 10 6 3 5 11760.5 656.148 20 -7 3 -5 82.0059 98.0360 3 -7 3 -5 29.8637 63.5527 19 7 3 5-52.3266 89.8012 16 -7 3 -5-142.211 158.597 2 -7 -3 -5 24.0882 181.595 14 7 -3 5-78.3941 173.396 13 -7 3 -5 5.57559 57.4969 10 -8 3 -5 77465.4 2497.07 3 -8 -3 -5 64444.4 2783.97 14 8 3 5 74694.8 2324.37 16 -8 3 -5 74133.5 3015.75 2 8 -3 5 80806.3 3192.20 13 -8 3 -5 83366.5 1959.11 19 -8 3 -5 61669.0 2622.95 10 -9 3 -5-123.409 30.4864 2 9 3 5 72.3207 143.517 16 -9 -3 -5 493.453 375.167 14 9 -3 5 152.605 175.450 13 9 3 5 168.229 245.263 12 -10 3 -5 14358.0 940.092 17 10 3 5 15562.3 1423.87 12 10 3 5 13216.1 1009.86 16 -10 3 -5 13757.5 1457.98 2 -11 3 -5 186.219 210.980 2 11 -3 5 41.9394 39.0319 6 -11 -3 -5-30.5106 121.574 14 -11 3 -5 34.9246 83.9871 17 11 3 5 49.7081 156.235 12 -12 3 -5 9090.37 778.312 17 -12 -3 -5 7909.70 1246.58 14 12 3 5 12004.6 1343.66 12 12 3 5 10152.2 1034.40 7 -12 3 -5 8954.91 1268.12 2 12 -3 5 8652.64 873.323 6 -13 3 -5 116.768 75.5675 17 -13 -3 -5-31.9324 285.768 14 13 -3 5-31.7302 123.386 6 13 3 5-78.2445 126.170 7 13 3 5-48.7244 116.692 12 -13 3 -5-124.954 253.216 2 -14 3 -5 6414.02 664.480 17 -14 3 -5 6070.17 1086.59 2 14 3 5 8229.43 1151.07 12 14 3 5 7627.72 942.621 7 14 -3 5 6441.39 771.998 6 -15 3 -5-95.2742 5.04740 17 15 3 5-125.149 171.974 7 15 -3 5-45.0254 80.4542 6 16 3 5 6780.14 921.627 7 16 -3 5 5944.13 697.678 6 17 -3 5-45.9324 94.5340 6 17 3 5-36.5238 105.128 7 18 3 5 13179.4 1226.05 7 19 3 5 160.617 133.305 7 20 3 5 8024.03 844.669 7 21 3 5-107.180 94.0913 7 22 3 5 1419.92 282.293 7 22 4 -5-48.5126 52.9764 7 21 4 -5 4469.33 582.315 7 20 4 -5 955.260 404.190 7 20 -4 -5-79.8072 33.6819 6 19 4 -5 3477.49 720.172 7 19 -4 -5 2682.44 442.337 6 18 -4 -5 19.6833 97.7098 6 18 4 -5-109.695 169.750 7 17 4 -5 12119.6 1226.46 7 -16 4 5 174.891 133.848 24 16 4 -5 893.155 455.719 7 15 4 -5 20958.3 1658.38 7 -15 4 5 20609.5 1040.13 24 14 4 -5 8187.84 1402.47 7 14 4 -5 16747.2 1071.46 20 14 -4 -5-108.478 107.590 9 -14 4 5 667.184 248.489 24 14 -4 -5 207.224 459.500 8 -14 4 5 462.182 337.746 2 14 4 -5 13203.5 1657.04 12 13 -4 -5 56768.9 2277.17 9 13 -4 -5 68622.3 3120.84 15 13 -4 -5 62202.1 2803.49 8 -13 -4 5 53747.9 3476.19 14 13 4 -5 56457.6 1975.07 20 13 4 -5 52694.3 3014.70 12 -13 4 5 59894.8 3419.01 2 13 4 -5 51720.8 2491.78 7 12 -4 -5 14.0202 116.155 9 12 -4 -5-44.4967 183.971 8 -12 4 5 385.423 190.172 19 -12 -4 5 7854.47 1379.08 14 12 4 -5 8713.01 1353.35 12 12 4 -5 6688.79 872.227 20 12 4 -5 8409.32 1051.14 7 -12 4 5 270.801 292.273 2 12 -4 -5 57.5891 107.632 15 11 -4 -5 17000.8 1459.97 15 11 4 -5 15643.2 1065.96 20 11 4 -5 15933.6 1548.74 12 -11 -4 5 16594.2 1770.73 14 -11 4 5 12450.5 804.671 19 11 -4 -5 15343.2 1314.86 8 -11 4 5 13694.5 1461.67 2 11 -4 -5 14028.4 1223.46 9 10 4 -5 2537.28 409.787 20 10 -4 -5-2.47919 116.565 15 -10 4 5 51.3890 41.0710 19 -10 -4 5 2465.85 652.330 14 10 4 -5 2274.14 624.851 12 -10 4 5-15.9192 37.4364 2 -9 -4 5 1777.16 530.794 14 -9 4 5 1080.74 217.142 19 -9 4 5 1184.37 374.001 2 9 4 -5 1224.77 393.190 12 9 -4 -5 1380.78 409.463 15 -8 4 5 81.5792 82.1313 23 8 -4 -5-149.933 128.819 15 -8 -4 5 6162.58 923.227 14 -8 4 5-25.9513 113.810 2 8 4 -5 5069.95 870.728 12 7 -4 -5 8691.58 983.139 15 -7 4 5 7805.46 542.910 23 7 4 -5 8266.73 940.110 12 -7 -4 5 9700.23 1085.36 14 -7 4 5 7679.28 919.888 2 6 4 -5 5897.90 485.166 21 -6 -4 5 4751.75 755.724 14 6 -4 -5 411.465 344.250 15 6 4 -5 3144.39 713.128 12 -6 4 5 123.470 153.005 2 -6 4 5 305.994 170.738 23 5 4 -5 14770.8 721.219 21 -5 4 5 13083.8 671.832 23 -5 -4 5 17004.9 1322.97 14 5 -4 -5 16824.4 1311.16 15 5 4 -5 14726.2 1110.01 12 -5 4 5 12986.3 1095.91 2 4 4 -5 10127.5 544.746 18 4 4 -5 7454.82 580.591 21 -4 -4 5 10290.2 1038.07 14 4 -4 -5 1550.32 574.446 15 4 4 -5 7607.55 984.080 12 -4 4 5 294.474 204.276 2 4 4 -5 11062.6 1109.14 11 3 4 -5 14059.7 962.511 12 -3 4 5 12947.2 919.609 16 3 -4 -5 14398.9 1159.99 15 3 4 -5 13349.6 1080.58 11 -3 -4 5 14337.2 1146.04 14 3 -4 -5 12820.1 1064.38 1 -3 4 5 14047.3 1025.15 2 -2 4 5-92.1504 158.075 2 -2 -4 5 8619.69 916.705 14 2 -4 -5 0.36371 96.2131 14 -2 4 5 123.197 150.320 16 2 -4 -5 27.4044 173.185 15 2 -4 -5-85.5391 77.1354 1 2 4 -5 2127.74 563.062 12 -2 -4 5 6892.61 951.214 4 2 4 -5 4451.90 706.248 11 -1 4 5 121188. 2600.84 2 -1 -4 5 111200. 3083.04 14 1 -4 -5 91720.2 2603.55 14 1 4 -5 99220.2 2955.39 11 -1 -4 5 94242.7 3013.59 4 1 -4 -5 107828. 3043.54 15 -1 4 5 108594. 2781.23 16 1 -4 -5 95344.7 2778.76 1 0 4 5 71.4965 148.173 16 0 -4 5 1452.76 388.173 14 0 -4 -5 47.9343 130.087 1 0 4 5 66.6201 51.2077 20 0 -4 -5 6.21456 54.4406 14 0 -4 -5 102.948 148.325 15 0 -4 5 51.5741 85.9189 1 0 -4 5 1177.29 450.707 4 1 -4 5 10240.8 896.604 14 1 4 5 8930.90 846.734 16 1 -4 5 9331.23 688.576 1 1 4 5 8827.08 534.327 20 -1 -4 -5 9754.47 931.867 15 -1 -4 -5 8417.88 815.821 14 1 -4 5 9723.99 1002.13 4 -1 4 -5 8989.92 694.056 3 -1 -4 -5 9302.00 865.550 1 -2 -4 -5 29.1476 89.1462 15 2 4 5 43.5867 63.9217 20 2 -4 5 104.301 191.061 4 2 -4 5 357.687 220.039 14 2 4 5 178.045 259.957 16 -2 -4 -5-2.05192 169.190 14 2 -4 5-23.9016 39.1470 1 -2 4 -5 15.3815 63.7199 3 -3 -4 -5 5737.21 694.932 14 3 4 5 5645.20 669.046 16 -3 4 -5 5584.90 710.855 2 3 -4 5 7066.30 877.051 4 3 4 5 6898.54 494.244 20 -3 4 -5 5494.49 707.105 10 -4 4 -5 3.09113 60.7532 10 4 4 5 581.479 261.368 20 4 4 5 143.651 424.872 16 -4 4 -5-65.1879 159.623 2 4 -4 5-81.5519 152.850 4 -4 -4 -5 98.3131 468.229 14 -4 4 -5 30.1804 35.5282 23 -5 -4 -5 4283.10 660.325 14 5 4 5 5930.59 519.643 20 -5 4 -5 5424.33 750.123 10 5 4 5 5940.61 709.676 16 5 -4 5 5731.99 835.669 4 -5 4 -5 5818.40 457.481 19 -5 4 -5 5030.02 750.595 2 6 4 5 147.945 378.266 16 -6 4 -5 26.4929 38.0986 2 -6 4 -5 97.6314 69.2605 19 6 -4 5 144.011 221.570 4 -6 4 -5 26.9220 82.4354 10 7 4 5 50734.6 2169.54 16 -7 4 -5 50179.5 2624.91 2 -7 4 -5 59341.3 2525.40 10 7 -4 5 57097.9 2718.75 4 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349.583 15 -3 -5 5 7328.85 945.480 14 3 5 -5 8155.41 974.789 11 -2 5 5 27712.5 1549.82 16 2 -5 -5 29354.5 1754.68 1 -2 -5 5 33258.7 1950.41 14 -1 5 5 2996.92 568.136 16 1 -5 -5 2777.79 669.911 1 -1 -5 5 4256.06 649.902 14 1 -5 -5 4497.82 650.770 14 1 5 -5 2305.72 526.605 11 0 5 5 18547.4 1548.10 16 0 -5 -5 21895.2 1476.32 14 0 -5 5 25966.6 1646.22 14 0 5 -5 22648.4 1552.42 11 0 -5 5 24136.7 1847.75 4 0 -5 -5 22804.8 1546.84 1 -1 -5 -5 3783.21 600.009 14 -1 -5 -5 215.738 551.523 15 1 5 5 2211.44 519.612 16 1 -5 5 2134.83 641.509 4 -1 5 -5 758.310 321.518 11 2 5 5 10876.9 1077.42 16 2 -5 5 11501.6 1104.44 14 -2 -5 -5 7780.11 905.459 14 2 -5 5 11444.8 1261.49 4 -2 5 -5 10495.9 1039.98 10 3 5 5 89.7481 206.734 16 3 -5 5 494.081 323.732 4 -3 -5 -5 127.699 245.102 14 -3 5 -5 124.233 159.363 2 -3 5 -5 8.20627 387.497 10 -4 5 -5 14479.1 790.735 19 -4 5 -5 13598.4 1300.56 2 -4 5 -5 15946.6 727.513 23 4 -5 5 15044.4 1499.34 4 4 5 5 13995.5 1257.00 16 -4 5 -5 14834.4 1315.66 10 5 -5 5-0.78339 77.3559 9 5 -5 5 63.5386 120.688 4 5 -5 5 9.50636 12.7792 6 -5 5 -5 93.9980 136.446 19 -5 5 -5 86.6606 177.522 2 -5 -5 -5 134.619 525.701 14 -5 5 -5 126.266 224.627 10 6 -5 5 4008.75 554.754 9 6 5 5 4283.74 726.998 16 6 -5 5 4440.66 835.902 4 -6 5 -5 4648.73 480.325 19 -6 -5 -5 2148.52 570.109 14 6 -5 5 3847.09 591.120 6 -6 5 -5 3627.26 721.351 2 -6 5 -5 4519.84 771.806 10 7 5 5 12.1542 165.305 16 7 -5 5 18.4601 129.779 9 -7 5 -5 73.9549 84.4007 19 7 5 5 91.5202 158.735 12 7 -5 5-53.4592 40.7326 6 7 -5 5 18.0176 69.3575 4 -7 -5 -5 172.085 283.942 14 -7 5 -5 66.0698 99.0603 2 -7 5 -5 66.3144 122.850 10 -8 5 -5 47195.7 1660.60 19 8 -5 5 42552.7 1844.48 9 -8 5 -5 46180.2 2585.25 10 8 5 5 45749.1 2554.71 12 8 -5 5 45717.1 2665.95 4 -8 5 -5 41674.2 2670.07 2 8 -5 5 40252.0 1997.34 6 9 -5 5-10.5257 41.8895 9 9 5 5 310.407 528.340 16 9 -5 5-40.4510 104.011 6 -9 5 -5-82.2425 192.456 2 9 5 5 227.955 263.645 12 -9 5 -5-81.1338 83.6113 19 -9 -5 -5-8.58187 292.749 14 10 5 5 26795.7 2100.27 12 -10 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211.251 9 -1 -7 -5 287.951 419.645 9 1 -7 5 168.994 283.376 5 2 -7 5 8978.14 1107.39 5 2 -7 5 10136.5 1013.02 9 3 7 5-98.3243 63.3341 16 3 -7 5 266.005 233.887 9 4 -7 5 1102.01 327.543 9 -4 7 -5 231.300 120.652 19 4 -7 5 1239.53 324.720 6 4 -7 5 1308.33 395.404 5 5 -7 5 232.036 232.777 9 5 -7 5 6.10842 73.5060 6 5 -7 5 440.504 319.469 5 6 -7 5 23056.0 1576.55 5 6 -7 5 24024.1 1527.87 9 6 -7 5 25521.7 1551.60 6 7 -7 5 62.3890 147.260 5 7 -7 5 83.9657 92.1670 6 7 -7 5 127.515 184.694 9 8 -7 5 865.193 274.824 6 8 -7 5 823.365 263.350 9 9 -7 5-26.0527 116.059 9 9 -7 5-94.3715 121.028 6 10 -7 5 1259.16 286.642 9 10 -7 5 1631.29 367.571 6 11 -7 5-122.902 130.478 9 11 -7 5-167.145 115.413 6 12 -7 5 757.926 203.286 9 12 -7 5 558.298 186.360 6 13 -7 5 78.0961 70.3855 6 14 -7 5 3224.01 433.133 6 15 -7 5 42.6394 33.4619 6 16 -7 5 7847.23 555.530 6 14 -8 -5 501.189 133.265 9 14 -8 -5 405.243 144.606 6 13 -8 -5 1008.06 205.041 9 13 -8 -5 996.267 231.800 6 12 -8 -5 1041.86 271.933 6 12 -8 -5 1594.19 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6643.72 745.780 14 2 -4 6 5814.09 554.516 1 2 -4 6 5414.61 770.563 4 -2 4 -6 5618.90 677.764 10 -3 4 -6 34.8336 45.4980 3 3 4 6-19.8066 181.147 16 -3 -4 -6 59.9773 371.730 14 -3 -4 -6-62.6660 104.670 15 3 -4 6-51.7260 112.210 13 3 -4 6 62.1381 164.609 4 -3 4 -6-202.394 129.501 10 3 -4 6-17.2755 36.1393 1 -4 4 -6 28858.1 1006.18 19 4 4 6 31743.8 1637.15 16 4 -4 6 34032.2 1794.76 13 4 -4 6 33083.2 2009.80 4 -4 4 -6 29242.8 1676.13 10 -5 4 -6-57.3369 70.9881 2 5 4 6 24.3122 155.710 16 -5 4 -6-16.5921 21.7455 19 5 -4 6 82.6776 70.2893 13 5 -4 6 28.0704 135.395 4 -5 4 -6 10.7541 91.1845 10 6 4 6 36812.6 1825.81 16 -6 4 -6 37189.2 1250.15 19 -6 4 -6 35120.3 2133.45 2 -6 4 -6 40782.5 2081.98 10 7 -4 6 148.904 214.272 4 -7 4 -6 68.6370 112.146 19 7 4 6-5.21303 183.830 16 -7 4 -6 110.948 110.550 2 -7 -4 -6 94.9607 331.836 14 -7 4 -6 51.0292 201.411 10 -8 4 -6 29544.5 1269.17 19 8 4 6 25342.6 1571.81 16 -8 4 -6 24069.6 1772.55 10 8 -4 6 27085.9 1955.83 4 -8 4 -6 27879.8 2074.01 2 9 -4 6 25.5508 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104.148 23 4 4 -7 3060.10 609.437 12 -4 -4 7 565.870 546.263 4 4 4 -7 2273.10 637.845 11 4 4 -7 1038.96 610.112 10 3 -4 -7 15903.2 1222.19 1 -3 4 7 18875.5 1227.95 2 3 4 -7 17158.6 742.620 18 3 -4 -7 17881.8 1359.70 15 -3 -4 7 18086.5 1317.52 14 -3 -4 7 14237.3 1205.42 4 3 4 -7 16860.8 1271.40 11 3 4 -7 14904.3 1066.74 10 -2 4 7 24.2362 61.0541 2 -2 -4 7 21.4272 80.4457 14 2 -4 -7-298.798 161.309 1 -2 -4 7-55.6943 232.731 4 2 -4 -7-19.7526 90.3268 15 2 4 -7-151.224 141.832 11 2 4 -7 7.66246 52.1883 10 -1 4 7 3427.68 472.971 2 -1 4 7 2991.10 494.650 16 1 -4 -7 2903.59 499.834 1 1 -4 -7 2416.95 432.098 14 -1 -4 7 3739.83 576.071 14 1 -4 -7 3763.14 599.659 15 -1 -4 7 2705.08 534.330 4 1 4 -7 2490.42 452.690 10 0 4 -7-47.4491 100.016 3 0 -4 -7-17.8547 83.9389 14 0 4 7-28.6315 24.1156 16 0 -4 -7-8.32437 6.05802 1 0 -4 -7-8.31412 66.5561 15 0 -4 7 90.6082 170.588 14 0 -4 7 15.5780 127.803 4 0 4 -7-5.50435 40.6823 10 -1 -4 -7 4509.05 598.746 15 1 4 7 5078.82 626.757 16 1 -4 7 4926.10 644.193 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16 7 -4 7 23141.2 1789.92 13 -7 4 -7 20992.8 1742.67 2 7 -4 7 26117.8 1959.02 4 -7 4 -7 21997.0 1634.16 10 8 -4 7 27.5086 25.2616 6 8 4 7 98.7927 95.8759 16 -8 -4 -7 5.73126 306.282 14 -8 4 -7 13.6057 103.220 2 8 -4 7 73.7440 129.956 4 -8 4 -7 64.1841 190.821 10 9 4 7 17505.7 1309.72 16 -9 4 -7 18594.7 1154.28 17 9 4 7 18837.8 1614.73 12 -9 4 -7 19624.7 1861.58 2 9 -4 7 20042.1 1728.06 4 9 -4 7 17624.6 1202.59 6 10 -4 7-24.4932 64.5717 6 -10 4 -7-83.7171 122.670 2 -10 4 -7 42.0117 89.6204 17 10 4 7 4.28875 155.087 7 10 4 7-164.448 235.393 12 11 4 7 5255.51 711.140 7 -11 4 -7 4847.63 953.760 2 -11 4 -7 4897.60 624.145 17 11 4 7 5463.61 920.721 12 11 -4 7 4368.72 614.667 6 12 4 7-110.170 166.048 7 -12 4 -7-97.8005 105.300 17 12 -4 7-145.140 171.460 6 12 4 7 50.2402 115.504 12 -12 4 -7-276.186 253.301 2 -13 4 -7 5580.99 681.747 17 13 4 7 6141.45 805.464 7 13 -4 7 5998.01 762.062 6 -14 4 -7 171.276 167.240 17 14 -4 7-0.93360 40.3082 6 14 4 7-93.3197 155.739 7 15 4 7 17224.0 1346.55 7 15 -4 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23 4 -5 -7 19063.5 1751.60 15 4 5 -7 17525.3 1442.78 11 4 5 -7 16682.2 1233.03 10 -4 -5 7 20347.1 1638.56 14 3 5 -7 151.122 126.635 21 3 -5 -7 182.186 158.375 15 3 -5 -7-58.6424 74.0053 1 3 5 -7 103.010 194.900 11 2 -5 -7 2187.30 771.561 15 -2 -5 7 4803.68 740.609 14 2 -5 -7 4476.40 718.079 1 2 5 -7 3981.95 658.461 11 2 5 -7 3617.17 576.065 10 1 -5 -7 178.755 254.021 15 -1 5 7 474.443 270.467 16 1 -5 -7 305.787 389.975 1 -1 -5 7 286.220 325.240 4 1 5 -7-172.515 137.951 11 1 5 -7 104.260 225.155 10 0 5 7 4253.48 620.001 16 0 -5 7 5099.84 866.177 4 0 -5 -7 1018.71 373.308 15 0 -5 -7 2210.19 490.630 14 0 -5 7 5070.70 741.600 14 0 5 -7 3734.82 667.145 11 0 5 -7 3642.66 614.965 10 0 -5 -7 3601.56 649.952 1 1 5 7 498.198 343.989 16 -1 -5 -7 126.052 280.118 15 -1 -5 -7 65.1636 396.101 14 1 -5 7 140.096 186.327 4 -1 5 -7-7.95035 148.937 10 1 -5 7 791.599 367.411 14 2 -5 7 17902.6 1647.92 4 2 5 7 17392.1 1304.76 16 -2 5 -7 16754.7 1363.60 10 -3 5 -7-309.099 189.813 2 -3 5 -7 26.1658 10.7439 19 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550.808 19 9 -6 -7 6502.40 874.558 9 8 -6 -7 203.564 150.327 9 -8 6 7 101.966 99.4545 19 -8 -6 7 64.4178 154.062 5 -8 6 7 251.585 120.012 23 8 6 -7 447.945 259.564 20 7 6 -7 8153.49 816.287 20 7 -6 -7 9143.77 1291.50 1 -7 -6 7 7576.45 897.950 5 -7 -6 7 10207.8 1396.79 14 -7 6 7 6632.25 613.711 23 7 -6 -7 10029.8 1110.04 9 6 -6 -7 131.480 249.947 1 6 -6 -7 72.0422 135.583 9 -6 -6 7-21.2510 109.901 14 -6 -6 7 9.06488 76.7556 5 6 -6 -7 55.6423 220.442 15 -6 -6 7-33.0568 36.1080 9 -5 -6 7 3047.66 602.829 5 5 -6 -7 3570.19 770.351 1 -5 -6 7 3834.72 797.359 14 -5 6 7 3442.54 445.483 23 -5 -6 7 3399.63 538.982 9 5 -6 -7 3160.69 666.488 9 -4 -6 7 19.6026 144.732 9 4 -6 -7 244.006 196.302 9 4 -6 -7 42.4860 441.112 15 -4 -6 7 262.447 273.347 14 -4 -6 7 10.8470 119.882 5 4 -6 -7 191.097 293.779 1 3 6 -7 12051.5 1153.78 10 -3 -6 7 28284.9 1854.19 5 3 -6 -7 684.232 500.077 15 -3 -6 7 30599.2 2092.11 14 -3 6 7 30848.0 1283.52 23 3 -6 -7 27739.6 1997.59 1 3 6 -7 18043.2 1559.23 11 -3 -6 7 31381.1 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164.996 9 4 -9 7 2228.33 383.189 9 5 -9 7-0.27938 61.3233 9 6 -9 7 1044.09 249.892 9 7 -9 7 279.765 129.913 9 24 0 -8 675.963 175.694 7 23 0 -8 6988.44 775.385 7 22 0 -8 9492.19 946.974 7 21 0 -8 705.793 319.247 7 20 0 -8 874.628 307.480 7 19 0 -8 395.146 289.286 22 19 0 -8 606.266 519.299 7 18 0 -8 5876.64 678.338 22 18 0 -8 5787.05 867.837 8 17 0 -8 675.886 613.731 8 17 0 -8 4.52086 136.239 12 17 0 -8 804.594 309.734 22 -16 0 8 37865.5 1623.58 24 16 0 -8 38212.2 1657.07 22 16 0 -8 38887.4 2301.22 8 16 0 -8 36552.6 2293.99 12 15 0 -8 64.2229 52.1344 8 15 0 -8 106.538 256.089 22 -15 0 8-90.5015 69.5677 2 -15 0 8 16.9396 81.7014 24 15 0 -8-63.5381 56.9198 12 -14 0 8 39495.4 2298.18 2 14 0 -8 37658.6 1540.53 22 -14 0 8 42049.6 1630.77 24 14 0 -8 40782.4 2308.26 12 13 0 -8 207.787 240.356 12 -13 0 8 111.690 152.913 24 -13 0 8 97.1958 88.1319 2 13 0 -8 246.768 182.488 22 -12 0 8 1907.33 302.196 24 12 0 -8 1694.13 473.207 12 -12 0 8 1453.25 405.493 2 -11 0 8 83.1241 134.261 2 -11 0 8 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1216.04 7 10 4 8 16660.7 1589.75 12 -10 4 -8 15744.6 1746.68 2 10 -4 8 14883.7 1131.00 6 11 4 8-113.537 176.839 7 -11 4 -8-24.0781 38.5064 17 11 -4 8-65.6198 228.478 6 11 4 8 123.291 112.508 12 -11 4 -8 18.8909 107.621 2 -12 4 -8 5887.09 685.842 17 12 4 8 5586.16 750.328 7 12 -4 8 4937.49 673.587 6 13 -4 8-12.5737 51.1094 6 13 4 8 17.8401 25.8944 7 -14 4 -8 7813.24 813.082 17 14 4 8 8810.55 972.656 7 14 -4 8 8995.97 908.012 6 15 -4 8 129.081 95.5419 6 15 4 8 206.914 151.623 7 16 4 8 6405.40 801.603 7 16 -4 8 6364.90 707.990 6 17 -4 8-39.5028 74.2826 6 17 4 8-16.5977 48.1301 7 18 4 8 6820.75 739.899 7 18 -4 8 8146.81 680.997 6 19 4 8-35.6691 56.0277 7 20 4 8 1424.81 266.512 7 20 5 -8 252.897 280.601 7 20 -5 -8 141.730 142.066 6 19 5 -8 4670.87 507.234 7 19 -5 -8 6464.09 625.037 6 18 -5 -8-27.8726 166.343 6 18 5 -8-5.99623 154.701 7 17 5 -8 6852.92 727.247 7 16 -5 -8 67.5835 119.195 9 16 5 -8-53.0597 168.275 7 -15 5 8 4648.38 500.159 24 15 -5 -8 5449.96 702.988 9 14 -5 -8 49.7892 91.5580 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681.199 9 6 -6 -8 5572.44 850.635 9 -5 -6 8 61.5542 72.1833 9 5 -6 -8-69.4165 51.6222 9 -5 6 8 28.3964 117.272 23 5 -6 -8 83.5433 132.225 1 5 -6 -8-24.5583 126.375 15 -5 -6 8 117.553 214.706 14 -5 -6 8 104.157 144.898 5 -4 6 8 13223.5 857.737 23 -4 -6 8 11063.6 1153.22 5 -4 -6 8 12918.2 1402.41 14 4 -6 -8 11149.6 1338.23 1 -4 -6 8 12947.8 1076.95 9 4 -6 -8 12553.7 1238.94 9 -3 -6 8 95.9992 135.863 9 3 -6 -8 163.337 193.288 9 3 -6 -8 284.906 360.197 15 -3 -6 8 111.355 295.727 14 -3 -6 8 91.2718 174.387 5 -3 6 8 190.082 195.987 23 3 -6 -8 102.818 262.431 1 -2 -6 8 16656.1 1456.11 5 -2 -6 8 16671.6 1534.15 14 -2 6 8 18551.0 1021.73 23 2 6 -8 12375.6 1375.71 11 2 6 -8 9830.36 1101.75 10 -2 -6 8 18793.1 1298.32 9 2 -6 -8 18673.4 1457.00 9 2 -6 -8 16181.2 1555.82 1 -1 -6 8-42.2783 33.0175 9 1 -6 -8 70.7238 151.507 9 -1 -6 8 130.959 221.733 5 1 -6 -8 444.109 778.284 15 -1 -6 8-4.97130 286.632 14 1 6 -8-139.251 134.472 11 1 6 -8 291.025 311.669 10 0 -6 8 13882.2 1322.86 5 0 -6 8 11561.1 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15.6393 17 0 3 10-1.67353 45.5809 13 0 -3 10-37.8708 67.2542 13 0 -3 -10-23.3368 137.711 1 0 3 -10 10.2082 90.8423 10 -1 3 -10 71669.0 1218.88 19 -1 3 -10 71879.2 1738.43 17 1 -3 10 74347.1 2288.53 14 1 3 10 73157.8 2188.47 13 1 -3 10 78519.1 2501.04 13 -1 3 -10 74053.5 2460.69 10 -1 3 -10 75797.4 2424.45 3 -2 3 -10-132.791 111.707 3 -2 3 -10 23.2552 42.6803 19 -2 3 -10 59.9295 72.2495 17 -2 -3 -10 3.18419 79.3731 15 2 3 10-22.5859 59.3400 13 -2 -3 -10 40.6414 103.201 3 -2 3 -10 10.0332 121.087 10 2 -3 10-43.4000 90.4139 13 -3 -3 -10 50169.6 2250.38 3 -3 3 -10 41920.4 1431.32 17 -3 -3 -10 51551.2 1660.68 15 -3 3 -10 45279.9 1170.45 19 3 3 10 43041.9 1645.54 13 3 -3 10 46724.7 2092.24 13 -3 3 -10 44646.2 1890.94 3 -4 3 -10 128.825 184.888 3 -4 3 -10 224.130 150.933 17 4 3 10 90.5481 98.2586 13 -4 -3 -10-28.0508 132.925 3 4 -3 10 132.027 142.626 13 -5 3 -10 4594.41 652.036 3 -5 3 -10 4264.51 480.743 17 5 -3 10 5630.95 792.614 13 -6 3 -10-71.3817 54.8704 17 -6 3 -10-67.5946 102.984 3 6 -3 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19 -5 4 -10-43.1437 96.8136 17 5 4 10-32.3735 116.414 16 5 -4 10 127.282 138.696 13 5 -4 10-38.5221 117.518 4 -6 4 -10 6959.91 688.988 17 6 -4 10 8316.64 1060.63 13 6 -4 10 7689.03 1144.02 4 6 -4 10 8338.08 793.927 6 -7 4 -10-32.6722 39.6448 17 7 -4 10-64.0803 66.0873 6 7 -4 10 98.7128 91.7226 13 7 -4 10 22.9641 67.9971 4 -8 4 -10 5697.17 654.609 17 8 -4 10 4384.08 853.341 13 -8 4 -10 5674.31 994.486 2 8 -4 10 4641.68 910.079 4 8 -4 10 4313.84 596.714 6 9 -4 10-45.7344 66.0764 6 -9 4 -10 13.2893 125.996 17 -9 4 -10 84.6517 94.0525 2 9 -4 10 7.50316 85.4901 13 9 4 10-125.419 190.044 7 9 4 10-36.1164 100.891 12 9 -4 10 31.7750 120.199 4 -10 4 -10 31869.2 1639.22 17 10 4 10 31218.6 1767.62 7 10 4 10 31312.6 2209.27 12 -10 4 -10 31908.7 2547.34 2 10 -4 10 29986.2 1635.40 6 11 -4 10-15.3932 95.1455 6 -11 4 -10 9.58013 108.381 17 11 4 10-12.9342 104.650 7 -12 4 -10 4887.49 655.796 17 12 4 10 4837.34 715.360 7 12 -4 10 5205.92 693.172 6 13 -4 10-2.73929 48.8985 6 -13 4 -10-47.6546 16.2931 17 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79.7710 97.3137 19 -4 5 -10 70.5767 59.8977 2 -4 5 -10-14.4894 69.6223 17 4 -5 10-44.3921 64.5366 5 4 -5 10 170.603 226.958 4 -4 5 -10 29.7184 211.285 10 -5 5 -10 15420.3 912.808 19 -5 5 -10 15126.4 1061.15 17 5 -5 10 14516.0 1203.64 5 -5 5 -10 16128.1 1616.64 2 5 -5 10 16851.8 1808.87 4 5 -5 10 15527.8 1086.89 9 5 -5 10 16880.1 1202.36 6 6 -5 10-55.1440 108.360 9 6 -5 10 0.43938 100.565 6 -6 5 -10 1.97053 108.987 17 -6 5 -10-80.5970 176.928 2 6 -5 10 14.5106 92.4303 5 6 -5 10-17.9934 118.902 4 -7 5 -10 20436.0 1302.71 17 -7 5 -10 21205.6 1958.02 2 7 -5 10 19313.9 1958.80 4 7 -5 10 19661.1 1228.15 9 7 -5 10 20995.6 1380.56 6 8 -5 10 10.1486 51.4250 6 8 -5 10 29.0327 46.6502 9 -8 5 -10 75.8035 121.174 17 -8 5 -10-32.0364 51.7953 2 8 -5 10-49.2296 162.231 4 -9 5 -10 8898.83 879.551 17 9 -5 10 10661.8 882.703 9 9 -5 10 9915.58 969.798 6 10 -5 10-39.3391 101.104 6 -10 5 -10 52.1283 52.7248 17 -11 5 -10 7497.34 818.568 17 11 -5 10 6825.82 799.599 6 12 -5 10 66.2156 87.8713 6 13 -5 10 4237.96 610.075 6 14 -5 10 7.38001 42.0435 6 15 -5 10 3119.58 478.015 6 16 -5 10 36.4059 66.6730 6 17 -5 10 4125.93 460.936 6 18 -5 10 145.683 82.5955 6 19 -6 -10 44.7583 66.0722 6 18 -6 -10 1031.28 252.774 6 17 -6 -10 62.0388 54.1014 9 17 -6 -10 94.5176 126.228 6 16 -6 -10 3597.05 458.432 9 15 -6 -10 17.9050 78.2737 9 14 -6 -10 3907.76 610.001 9 13 -6 -10-71.6252 53.8978 9 12 -6 -10 274.370 163.465 9 11 -6 -10-49.0495 30.2101 9 10 6 -10 5852.34 681.141 20 -10 6 10 4803.45 534.003 19 9 6 -10 69.6107 124.866 20 -9 6 10 450.955 372.985 19 9 -6 -10 233.506 289.537 9 -9 -6 10 128.931 145.859 5 -8 -6 10 4478.84 683.134 5 -8 6 10 5338.23 547.084 19 8 -6 -10 5790.88 892.900 9 7 -6 -10 109.405 131.903 9 -7 6 10 373.991 215.013 23 -7 -6 10-122.912 162.972 5 -6 6 10 12876.9 872.920 23 -6 -6 10 11218.6 1153.40 5 -6 -6 10 13843.1 1156.71 9 6 -6 -10 13787.4 1384.81 9 -5 6 10 156.278 201.310 23 5 -6 -10 72.1767 160.513 9 -5 -6 10-55.0285 96.4552 14 -5 -6 10 86.4044 168.744 5 5 -6 -10 22.6535 72.4496 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13 3 -3 -22 7712.02 1026.93 8 3 3 -22 10028.5 984.243 21 -3 3 22 9844.10 1389.28 13 -3 -3 22 7777.98 1151.44 4 -3 -3 22 8142.42 958.662 6 3 3 -22 8642.21 1260.89 3 -2 -3 22 22.6349 15.2671 6 2 3 -22-195.727 215.138 21 2 3 -22-144.495 286.598 3 2 -3 -22-46.3015 85.6705 8 -2 3 22-97.5621 178.966 13 -2 -3 22-100.234 161.837 4 1 -3 -22 8322.34 1083.14 8 1 3 -22 10991.1 1045.24 21 -1 3 22 11144.3 1433.47 13 -1 -3 22 8435.65 950.811 6 0 -3 22 22.1240 67.9752 6 0 3 -22-89.3011 115.870 21 0 -3 -22-68.3913 48.2469 8 -1 -3 -22 8848.27 1147.97 8 -1 3 -22 9088.30 961.538 21 1 3 22 7333.18 950.621 7 1 -3 22 8316.78 951.423 6 2 -3 22-16.8088 26.1874 6 -2 3 -22 79.6092 126.464 18 -2 -3 -22 100.365 51.1172 8 2 3 22-94.3895 59.3665 7 -3 -3 -22 18689.8 1687.77 8 -3 3 -22 18632.9 1345.21 18 3 3 22 16502.9 1405.02 7 3 -3 22 15955.9 1288.53 6 4 -3 22 122.708 143.845 6 -4 3 -22-120.246 137.429 18 -4 -3 -22-16.9117 92.0509 8 4 3 22 101.181 129.103 7 -5 -3 -22 8594.57 1149.97 8 -5 3 -22 8515.33 888.309 18 5 3 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9.16085 8 13 0 -31 145.225 117.540 8 12 0 -31-118.324 144.887 8 11 0 -31 1710.54 391.368 8 10 0 -31-51.9933 148.682 8 9 0 -31 8993.15 992.550 8 8 0 -31-30.7307 132.015 8 7 0 -31 926.140 311.705 8 6 0 -31-172.397 177.843 8 5 0 -31 10428.9 1190.49 8 4 0 -31 134.280 169.714 8 3 0 -31 11246.3 1266.23 8 2 0 -31 245.717 245.529 8 1 0 -31 4593.26 804.058 8 0 0 -31-71.1677 148.835 8 -1 0 -31 3413.76 660.666 8 -2 0 -31 27.1455 76.8771 8 -3 0 -31 6297.69 871.358 8 -4 0 -31-19.1716 53.4517 8 -5 0 -31 6292.01 801.324 8 -6 0 -31-117.632 97.2585 8 -7 0 -31 4471.53 591.901 8 -8 0 -31 21.2043 47.0930 8 15 -1 -31-162.079 113.038 8 14 -1 -31 4304.91 547.791 8 13 -1 -31-2.42522 125.596 8 12 -1 -31 464.997 169.064 8 11 1 -31-37.4017 62.4346 8 11 -1 -31 32.9559 27.6173 8 10 1 -31 114.220 83.3469 8 10 -1 -31 450.232 243.090 8 9 1 -31-93.0392 57.5190 8 9 -1 -31 10.4075 99.5342 8 8 1 -31 983.891 306.916 8 8 -1 -31 1006.17 337.307 8 7 1 -31-141.580 96.5607 8 7 -1 -31-110.515 139.062 8 6 1 -31 4057.96 673.240 8 6 -1 -31 4433.36 760.317 8 5 -1 -31 44.1320 177.867 8 5 1 -31-61.8283 139.926 8 4 -1 -31 19970.2 1668.80 8 4 1 -31 16390.1 1409.30 8 3 -1 -31-7.81824 24.0727 8 3 1 -31 147.716 149.877 8 2 -1 -31 3264.81 672.890 8 2 1 -31 2467.60 556.520 8 1 -1 -31 168.192 149.801 8 1 1 -31-55.5080 120.222 8 0 -1 -31 1409.24 428.364 8 0 1 -31 1784.82 475.429 8 -1 -1 -31-18.5876 353.133 8 -1 1 -31 20.0517 61.1655 8 -2 -1 -31 6442.18 896.394 8 -2 1 -31 5446.58 791.299 8 -3 -1 -31 7.10427 94.7597 8 -3 1 -31 26.9687 20.1347 8 -4 -1 -31 1339.19 380.574 8 -4 1 -31 955.374 314.516 8 -5 -1 -31-106.322 67.0673 8 -5 1 -31 83.3629 147.125 8 -6 -1 -31 1413.83 339.682 8 -6 1 -31 1163.93 306.182 8 -7 -1 -31-1.09304 44.4934 8 -7 1 -31-74.8326 100.496 8 -8 -1 -31 4155.76 488.795 8 -8 1 -31 4012.54 484.401 8 14 -2 -31-32.1649 38.7723 8 13 -2 -31 862.439 255.224 8 12 -2 -31 95.6126 54.2486 8 11 -2 -31 2045.51 434.820 8 10 -2 -31 58.7032 63.2044 8 9 -2 -31 11244.7 1092.10 8 8 -2 -31 63.6357 108.177 8 7 -2 -31 4361.78 716.472 8 6 -2 -31 188.186 196.138 8 5 2 -31 4288.52 576.993 8 5 -2 -31 5529.94 827.943 8 4 -2 -31-99.1279 165.436 8 4 2 -31 35.1715 29.8766 8 3 -2 -31 497.501 217.801 8 3 2 -31 182.137 84.2404 8 2 -2 -31 111.534 150.414 8 2 2 -31-128.591 75.1340 8 1 -2 -31 3058.54 613.924 8 1 2 -31 2805.37 508.482 8 0 -2 -31-64.3211 171.510 8 0 2 -31-54.3707 103.910 8 -1 -2 -31 1223.41 379.935 8 -1 2 -31 1506.75 360.387 8 -2 -2 -31-101.162 138.432 8 -2 2 -31 34.8993 76.0602 8 -3 2 -31 2000.94 403.643 8 -3 -2 -31 1611.90 418.230 8 -4 -2 -31-133.473 79.2306 8 -4 2 -31-25.4761 70.3424 8 -5 -2 -31 2154.32 413.181 8 -5 2 -31 2186.25 384.389 8 -6 -2 -31-45.1100 57.9517 8 -6 2 -31-4.74871 89.2522 8 13 -3 -31-36.2608 40.6675 9 13 -3 -31 37.7519 59.2375 8 12 -3 -31 3513.80 483.248 8 11 -3 -31-162.294 128.838 8 10 -3 -31 6595.01 733.949 8 9 -3 -31-21.1287 126.943 8 -9 -3 31-8.33194 29.5397 5 8 -3 -31 4014.69 608.460 8 7 -3 -31 25.7746 26.8973 8 6 -3 -31 1628.32 398.826 8 5 -3 -31 70.4166 22.4743 8 4 -3 -31 674.978 253.046 8 3 -3 -31-232.793 181.293 8 2 -3 -31 1974.64 446.848 8 1 -3 -31 148.089 153.130 8 0 -3 -31 3180.83 549.481 8 -1 -3 -31 99.8295 141.017 8 -2 -3 -31 12082.1 983.858 8 -3 -3 -31-15.3342 58.5509 8 3 -3 31 5.43440 45.1549 5 8 -4 -31 11.7419 24.5440 8 -8 -4 31-8.38898 44.9588 5 7 -4 -31 610.449 187.701 8 -7 -4 31 307.428 117.576 5 6 -4 -31 105.738 78.4412 8 -6 -4 31 40.9138 26.5710 5 5 -4 -31 360.167 153.178 8 -5 -4 31 248.304 110.344 5 4 -4 -31 127.584 101.933 8 -4 -4 31 37.4465 56.3361 5 3 -4 -31 7574.06 698.183 8 -3 -4 31 6439.97 606.105 5 -2 -4 31 67.5919 42.4759 5 -1 -4 31 1941.58 313.469 5 0 -4 31-37.4253 41.2672 5 1 -4 31 2758.01 340.506 5 13 0 -32 101.771 87.6559 8 12 0 -32 641.151 203.155 8 11 0 -32 76.2064 75.6432 8 10 0 -32 3941.66 588.715 8 9 0 -32-76.8881 50.8010 8 8 0 -32 14944.0 1256.70 8 7 0 -32 115.188 114.679 8 6 0 -32 1971.60 477.729 8 5 0 -32-82.4247 83.9989 8 4 0 -32 308.622 178.446 8 3 0 -32 55.8449 87.3074 8 2 0 -32 2217.03 531.732 8 1 0 -32 114.756 147.657 8 0 0 -32 43.3862 96.7078 8 -1 0 -32-160.449 194.868 8 -2 0 -32 58.8497 57.9573 8 -3 0 -32-6.18441 84.9168 8 -4 0 -32 3668.97 588.994 8 -5 0 -32 58.9208 96.3395 8 -6 0 -32 194.824 116.565 8 -7 0 -32-85.3032 48.1111 8 13 -1 -32 2256.75 390.368 8 12 -1 -32 100.339 98.5128 8 11 -1 -32 82.9813 92.9680 8 10 1 -32 39.7323 38.2105 8 10 -1 -32 55.9584 57.6526 8 9 1 -32 3577.45 513.981 8 9 -1 -32 3957.51 634.110 8 8 1 -32 22.7328 64.4058 8 8 -1 -32-10.3940 72.5528 8 7 1 -32 3814.97 580.367 8 7 -1 -32 4462.49 705.885 8 6 1 -32-114.093 151.936 8 6 -1 -32-122.838 128.985 8 5 1 -32 3199.98 572.686 8 5 -1 -32 2477.66 536.709 8 4 -1 -32 180.136 126.949 8 4 1 -32-107.530 93.5105 8 3 -1 -32 3509.77 655.207 8 3 1 -32 3254.40 584.079 8 2 -1 -32-136.131 153.148 8 2 1 -32-89.3954 119.181 8 1 -1 -32 2145.76 494.551 8 1 1 -32 1720.57 418.262 8 0 -1 -32-16.8787 84.1808 8 0 1 -32-233.823 171.838 8 -1 -1 -32 363.063 174.580 8 -1 1 -32 497.588 224.126 8 -2 -1 -32-86.5696 122.246 8 -2 1 -32 80.0515 129.736 8 -3 -1 -32 1092.42 339.753 8 -3 1 -32 761.963 267.845 8 -4 -1 -32-17.1204 129.030 8 -4 1 -32 16.2606 37.3618 8 -5 -1 -32 13603.9 1035.12 8 -5 1 -32 11525.4 926.212 8 -6 -1 -32 191.487 123.901 8 -6 1 -32 113.803 81.2964 8 13 -2 -32-94.0656 83.5659 8 12 -2 -32 5597.88 635.369 8 11 -2 -32-55.5317 73.8161 8 10 -2 -32 6614.91 756.044 8 9 -2 -32-46.6373 108.606 8 8 -2 -32 3162.21 563.649 8 7 -2 -32-57.4956 68.1819 8 6 -2 -32 5489.26 774.710 8 5 -2 -32 105.883 73.5069 8 4 2 -32 963.112 243.129 8 4 -2 -32 1625.91 440.643 8 3 -2 -32 242.066 196.896 8 3 2 -32-75.5602 84.9465 8 2 -2 -32 2033.49 481.835 8 2 2 -32 1805.31 368.296 8 1 -2 -32-74.0117 91.9090 8 1 2 -32 25.2971 40.4393 8 0 -2 -32 6551.04 830.055 8 0 2 -32 5370.68 631.263 8 -1 -2 -32 2.98406 33.6895 8 -1 2 -32 104.491 94.9202 8 -2 -2 -32 2708.81 495.656 8 -2 2 -32 3037.71 444.954 8 -3 -2 -32 32.3665 115.183 8 -3 2 -32-54.0947 80.4103 8 -4 -2 -32 4079.15 542.132 8 -4 2 -32 3314.49 434.413 8 -5 -2 -32 34.5290 50.1644 8 11 -3 -32 143.195 57.9471 8 10 -3 -32 62.1689 40.6303 8 9 -3 -32 1974.62 389.721 8 8 -3 -32 122.842 80.9751 8 -8 -3 32-25.6852 62.7803 5 7 -3 -32 3400.47 533.730 8 -7 -3 32 2466.57 360.821 5 6 -3 -32-104.866 106.576 8 5 -3 -32 447.042 191.234 8 4 -3 -32-90.8966 132.349 8 3 -3 -32 611.988 266.007 8 2 -3 -32 79.9300 105.292 8 1 -3 -32 4470.79 607.392 8 0 -3 -32-92.5864 142.339 8 -1 -3 -32 3800.40 510.464 8 1 -3 32 3037.78 378.770 5 2 -3 32-7.16861 37.0338 5 -6 -4 32 436.937 136.454 5 -5 -4 32 53.1061 65.4591 5 -4 -4 32 123.832 66.4791 5 -3 -4 32-51.9001 33.3139 5 -2 -4 32 5463.73 483.232 5 -1 -4 32-83.6877 53.9786 5 11 0 -33 638.734 194.429 8 10 0 -33 119.705 118.018 8 9 0 -33 11780.7 979.174 8 8 0 -33 28.1451 75.9071 8 7 0 -33 8346.30 892.727 8 6 0 -33 22.2815 48.0036 8 5 0 -33 9.99049 73.7877 8 4 0 -33-109.764 157.006 8 3 0 -33 16932.5 1368.30 8 2 0 -33-53.3209 119.900 8 1 0 -33 5584.84 772.939 8 0 0 -33 119.021 126.043 8 -1 0 -33 594.763 237.479 8 -2 0 -33-4.56094 91.8237 8 -3 0 -33 12744.4 1031.39 8 -4 0 -33 102.185 89.6643 8 -5 0 -33 1599.14 316.403 8 12 -1 -33 1330.00 287.303 8 11 -1 -33-5.43740 72.1137 8 10 -1 -33 3740.75 549.926 8 9 1 -33-50.6245 39.2108 8 9 -1 -33 20.7621 76.5342 8 8 1 -33 92.1286 98.5266 8 8 -1 -33 99.9816 86.6741 8 7 1 -33 42.7231 89.0837 8 7 -1 -33 12.0454 93.3646 8 6 1 -33 6906.28 737.692 8 6 -1 -33 7365.54 876.882 8 5 1 -33 9.73112 82.9403 8 5 -1 -33-57.6993 96.3557 8 4 1 -33 6540.36 759.442 8 4 -1 -33 7051.51 880.123 8 3 -1 -33-181.036 204.016 8 3 1 -33 169.942 163.041 8 2 -1 -33 3092.85 570.671 8 2 1 -33 2639.38 485.524 8 1 -1 -33 151.711 121.633 8 1 1 -33-147.279 131.775 8 0 -1 -33 6785.13 831.599 8 0 1 -33 5517.68 694.518 8 -1 -1 -33 240.669 141.402 8 -1 1 -33-56.1969 76.4918 8 -2 -1 -33 4053.34 603.362 8 -2 1 -33 3443.14 523.299 8 -3 -1 -33-164.472 161.214 8 -3 1 -33-21.7798 45.2476 8 -4 -1 -33 1239.01 299.310 8 -4 1 -33 1200.01 277.992 8 11 -2 -33 2203.10 373.318 8 10 -2 -33-117.760 87.8586 8 9 -2 -33 3325.40 509.885 8 8 -2 -33-172.439 152.842 8 7 -2 -33 2627.17 471.081 8 6 -2 -33 22.7617 111.250 8 5 -2 -33 8553.86 906.915 8 4 -2 -33-50.6522 84.8983 8 3 -2 -33-87.4560 120.517 8 2 2 -33-4.19560 14.4710 8 2 -2 -33-70.7796 53.8027 8 1 -2 -33 2602.48 472.400 8 1 2 -33 1416.15 275.709 8 0 -2 -33-96.1961 124.546 8 0 2 -33-6.62914 39.6909 8 -1 -2 -33 803.652 239.725 8 -2 -2 -33-136.888 102.657 8 -3 -2 -33 1058.48 251.626 8 8 -3 -33 411.402 164.711 8 7 -3 -33-25.9554 61.8338 8 -7 -3 33-25.9021 33.3413 5 6 -3 -33 1270.50 303.892 8 -6 -3 33 706.178 179.183 5 5 -3 -33-45.7778 78.8148 8 -5 -3 33 61.8156 59.6287 5 4 -3 -33 1440.16 315.391 8 -4 -3 33 1006.43 224.433 5 3 -3 -33-107.655 77.2780 8 2 -3 -33 7311.50 694.962 8 -2 -3 33 5757.44 521.480 5 1 -3 -33 57.4238 91.1467 8 -1 -3 33 104.691 63.3143 5 0 -3 33 1622.15 255.951 5 9 0 -34 225.562 157.762 8 8 0 -34 5160.98 606.843 8 7 0 -34-107.864 82.0114 8 6 0 -34-116.912 106.167 8 5 0 -34-65.4291 107.344 8 4 0 -34 809.721 242.851 8 3 0 -34 106.436 86.1282 8 2 0 -34 4512.57 634.421 8 1 0 -34 171.298 136.441 8 0 0 -34 10259.4 917.189 8 -1 0 -34 6.15202 57.9968 8 -2 0 -34-104.584 78.2847 8 -3 0 -34-14.7923 33.2806 8 10 -1 -34 54.3020 49.4735 8 9 -1 -34 10970.2 883.985 8 8 -1 -34 150.940 95.6200 8 7 1 -34 1786.14 315.444 8 7 -1 -34 1794.10 377.344 8 6 1 -34 125.128 79.7615 8 6 -1 -34 110.518 108.127 8 5 1 -34 7468.97 694.506 8 5 -1 -34 8521.55 879.587 8 4 1 -34-113.549 126.595 8 4 -1 -34-29.4891 62.4163 8 3 1 -34 2194.37 398.481 8 3 -1 -34 2195.81 438.524 8 2 1 -34-59.1700 116.554 8 2 -1 -34-131.657 148.624 8 1 -1 -34 203.624 140.440 8 1 1 -34 558.745 175.635 8 0 -1 -34-3.65531 69.6907 8 0 1 -34 45.8344 58.6971 8 -1 -1 -34 12766.9 975.651 8 -1 1 -34 11024.0 824.885 8 -2 -1 -34 43.4582 76.2574 8 9 -2 -34-3.15055 56.6320 8 8 -2 -34 1104.34 280.625 8 7 -2 -34 19.2304 57.2028 8 6 -2 -34 4558.32 584.219 8 5 -2 -34 21.6449 38.5391 8 4 -2 -34 3549.87 521.412 8 3 -2 -34-72.2426 78.0900 8 2 -2 -34 3936.65 533.394 8 1 -2 -34-25.1011 68.6121 8 0 -2 -34 5774.92 613.035 8 6 0 -35-122.221 99.5305 8 5 0 -35-30.1239 65.1390 8 4 0 -35 27.6953 36.4745 8 3 0 -35 4749.17 569.478 8 2 0 -35 33.3324 49.8531 8 1 0 -35 898.017 226.987 8 7 -1 -35 87.1403 59.1092 8 6 -1 -35 2717.90 426.613 8 5 -1 -35 65.3922 35.4796 8 4 -1 -35 948.147 248.605 8 3 -1 -35 20.4818 67.7134 8 2 -1 -35 3171.07 457.924 8 1 -1 -35 506.295 258.888 8 0 0 0 0.00 0.00 0 TITL 9st-147 in P2(1)/n REM P2(1)/n (#14 in standard setting) CELL 1.54184 20.211950 7.986561 28.583999 90.0000 99.5890 90.0000 ZERR 20.00 0.001206 0.000422 0.001820 0.0000 0.0061 0.0000 LATT 1 SYMM -x+1/2, y+1/2,-z+1/2 SFAC C H N O UNIT 220.00 200.00 20.00 20.00 TREF HKLF 4 END ; _shelx_hkl_checksum 81165 _olex2_submission_special_instructions 'No special instructions were received' _oxdiff_exptl_absorpt_empirical_details ; Empirical correction (ABSPACK) includes: - Absorption correction using spherical harmonics - Frame scaling ; _oxdiff_exptl_absorpt_empirical_full_max 1.613 _oxdiff_exptl_absorpt_empirical_full_min 0.642 ####################################################################### # # This file contains crystal structure data downloaded from the # Cambridge Structural Database (CSD) hosted by the Cambridge # Crystallographic Data Centre (CCDC). # # Full information about CCDC data access policies and citation # guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 # # Audit and citation data items may have been added by the CCDC. # Please retain this information to preserve the provenance of # this file and to allow appropriate attribution of the data. # ####################################################################### data_68-3 _database_code_depnum_ccdc_archive 'CCDC 2105967' loop_ _audit_author_name _audit_author_address 'Shaotong Qiu Shaotong Qiu' 'South China University of Technology' _audit_update_record ; 2021-08-27 deposited with the CCDC. 2021-09-29 downloaded from the CCDC. ; _audit_creation_date 2021-06-24 _audit_creation_method ; Olex2 1.3-alpha (compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272) ; _shelx_SHELXL_version_number 2018/3 _chemical_name_common ? _chemical_name_systematic ? _chemical_formula_moiety 'C35 H25 Br N2 O5' _chemical_formula_sum 'C35 H25 Br N2 O5' _chemical_formula_weight 633.48 _chemical_absolute_configuration ad _chemical_melting_point ? loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0181 0.0091 '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' Br Br -0.6763 1.2805 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; _space_group_crystal_system monoclinic _space_group_IT_number 4 _space_group_name_H-M_alt 'P 1 21 1' _space_group_name_Hall 'P 2yb' loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y+1/2, -z' _cell_length_a 7.00919(18) _cell_length_b 14.8084(3) _cell_length_c 13.4349(3) _cell_angle_alpha 90 _cell_angle_beta 92.747(2) _cell_angle_gamma 90 _cell_volume 1392.88(6) _cell_formula_units_Z 2 _cell_measurement_reflns_used 8213 _cell_measurement_temperature 199.99(10) _cell_measurement_theta_max 73.7070 _cell_measurement_theta_min 2.9390 _shelx_estimated_absorpt_T_max ? _shelx_estimated_absorpt_T_min ? _exptl_absorpt_coefficient_mu 2.416 _exptl_absorpt_correction_T_max 1.00000 _exptl_absorpt_correction_T_min 0.76077 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; CrysAlisPro 1.171.38.43f (Rigaku Oxford Diffraction, 2015) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. ; _exptl_absorpt_special_details ? _exptl_crystal_colour colourless _exptl_crystal_colour_primary colourless _exptl_crystal_density_diffrn 1.510 _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_description block _exptl_crystal_F_000 648 _exptl_crystal_size_max 0.12 _exptl_crystal_size_mid 0.1 _exptl_crystal_size_min 0.08 _exptl_transmission_factor_max ? _exptl_transmission_factor_min ? _diffrn_reflns_av_R_equivalents 0.0250 _diffrn_reflns_av_unetI/netI 0.0335 _diffrn_reflns_Laue_measured_fraction_full 1.000 _diffrn_reflns_Laue_measured_fraction_max 0.983 _diffrn_reflns_limit_h_max 6 _diffrn_reflns_limit_h_min -8 _diffrn_reflns_limit_k_max 18 _diffrn_reflns_limit_k_min -18 _diffrn_reflns_limit_l_max 16 _diffrn_reflns_limit_l_min -16 _diffrn_reflns_number 10046 _diffrn_reflns_point_group_measured_fraction_full 0.999 _diffrn_reflns_point_group_measured_fraction_max 0.966 _diffrn_reflns_theta_full 67.684 _diffrn_reflns_theta_max 73.789 _diffrn_reflns_theta_min 3.293 _diffrn_ambient_environment N~2~ _diffrn_ambient_temperature 199.99(10) _diffrn_detector 'CCD plate' _diffrn_detector_area_resol_mean 5.2684 _diffrn_detector_type AtlasS2 _diffrn_measured_fraction_theta_full 1.000 _diffrn_measured_fraction_theta_max 0.983 _diffrn_measurement_details ; List of Runs (angles in degrees, time in seconds): # Type Start End Width t~exp~ \w \q \k \f Frames #-------------------------------------------------------------------------- 1 \w -61.00 30.00 1.00 1.00 -- -40.73 57.00-180.00 91 2 \w -94.00 -16.00 1.00 1.00 -- -40.73 -57.00 -60.00 78 3 \w -115.00 -8.00 1.00 1.00 -- -40.73 -77.00 60.00 107 4 \w 1.00 70.00 1.00 1.00 -- 40.73 -99.00 -90.00 69 5 \w 23.00 50.00 1.00 1.00 -- 40.73 -99.00-120.00 27 6 \w 79.00 174.00 1.00 1.00 -- 107.58 30.00 30.00 95 7 \w 87.00 128.00 1.00 1.00 -- 107.58 -45.00 150.00 41 8 \w 85.00 140.00 1.00 1.00 -- 107.58 -77.00 -90.00 55 9 \w 36.00 84.00 1.00 1.00 -- 107.58 -45.00 150.00 48 10 \w 32.00 135.00 1.00 1.00 -- 107.58 -77.00 120.00 103 11 \w 81.00 178.00 1.00 1.00 -- 107.58 61.00 -60.00 97 12 \w 90.00 116.00 1.00 1.00 -- 107.58 45.00 -90.00 26 13 \w 43.00 108.00 1.00 1.00 -- 107.58 -45.00 0.00 65 14 \w 86.00 120.00 1.00 1.00 -- 107.58-125.00 -90.00 34 15 \w 25.00 77.00 1.00 1.00 -- 107.58 -95.00 -30.00 52 16 \w 67.00 120.00 1.00 1.00 -- 107.58-125.00 120.00 53 17 \w 135.00 161.00 1.00 1.00 -- 107.58 45.00 -90.00 26 18 \w 83.00 177.00 1.00 1.00 -- 107.58 45.00-120.00 94 19 \w 45.00 72.00 1.00 1.00 -- 107.58 -77.00 -90.00 27 ; _diffrn_measurement_device 'four-circle diffractometer' _diffrn_measurement_device_type 'SuperNova, Dual, Cu at zero, AtlasS2' _diffrn_measurement_method '\w scans' _diffrn_orient_matrix_type 'CrysAlisPro convention (1999,Acta A55,543-557)' _diffrn_orient_matrix_UB_11 0.0747038000 _diffrn_orient_matrix_UB_12 -0.0267783000 _diffrn_orient_matrix_UB_13 0.1056935000 _diffrn_orient_matrix_UB_21 -0.0539964000 _diffrn_orient_matrix_UB_22 0.0941071000 _diffrn_orient_matrix_UB_23 0.0387255000 _diffrn_orient_matrix_UB_31 -0.1997467000 _diffrn_orient_matrix_UB_32 -0.0353638000 _diffrn_orient_matrix_UB_33 0.0227495000 _diffrn_radiation_monochromator mirror _diffrn_radiation_probe x-ray _diffrn_radiation_type 'Cu K\a' _diffrn_radiation_wavelength 1.54184 _diffrn_source 'micro-focus sealed X-ray tube' _diffrn_source_type 'SuperNova (Cu) X-ray Source' _reflns_Friedel_coverage 0.890 _reflns_Friedel_fraction_full 0.998 _reflns_Friedel_fraction_max 0.948 _reflns_number_gt 5340 _reflns_number_total 5469 _reflns_odcompleteness_completeness 100.00 _reflns_odcompleteness_iscentric 1 _reflns_odcompleteness_theta 66.97 _reflns_special_details ; Reflections were merged by SHELXL according to the crystal class for the calculation of statistics and refinement. _reflns_Friedel_fraction is defined as the number of unique Friedel pairs measured divided by the number that would be possible theoretically, ignoring centric projections and systematic absences. ; _reflns_threshold_expression 'I > 2\s(I)' _computing_cell_refinement 'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)' _computing_data_collection 'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)' _computing_data_reduction 'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)' _computing_molecular_graphics 'Olex2 1.3-alpha (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 1.3-alpha (Dolomanov et al., 2009)' _computing_structure_refinement 'SHELXL 2018/3 (Sheldrick, 2015)' _computing_structure_solution 'SHELXT (Sheldrick, 2015)' _refine_diff_density_max 0.203 _refine_diff_density_min -0.515 _refine_diff_density_rms 0.057 _refine_ls_abs_structure_details ; Flack x determined using 2442 quotients [(I+)-(I-)]/[(I+)+(I-)] (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259). ; _refine_ls_abs_structure_Flack -0.019(7) _refine_ls_extinction_coef . _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.027 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 390 _refine_ls_number_reflns 5469 _refine_ls_number_restraints 1 _refine_ls_R_factor_all 0.0281 _refine_ls_R_factor_gt 0.0273 _refine_ls_restrained_S_all 1.027 _refine_ls_shift/su_max 0.002 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0416P)^2^+0.1608P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0681 _refine_ls_wR_factor_ref 0.0685 _refine_special_details ? _olex2_refinement_description ; 1. Fixed Uiso At 1.2 times of: All C(H) groups At 1.5 times of: All C(H,H,H) groups 2.a Ternary CH refined with riding coordinates: C8(H8), C19(H19) 2.b Aromatic/amide H refined with riding coordinates: C2(H2), C3(H3), C5(H5), C11(H11), C12(H12), C13(H13), C14(H14), C16(H16), C17(H17), C21(H21), C22(H22), C23(H23), C24(H24), C25(H25), C27(H27), C29(H29), C31(H31) 2.c Idealised Me refined as rotating group: C32(H32A,H32B,H32C), C35(H35A,H35B,H35C) ; _atom_sites_solution_hydrogens geom _atom_sites_solution_primary dual _atom_sites_solution_secondary ? loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group Br1 Br 0.06996(4) 0.22055(2) 1.07146(3) 0.03715(11) Uani 1 1 d . . . . . O1 O 0.6619(3) 0.34877(13) 0.71314(15) 0.0246(4) Uani 1 1 d . . . . . O2 O 0.1014(3) 0.40171(19) 0.4619(2) 0.0421(6) Uani 1 1 d . . . . . O3 O 0.1655(3) 0.48988(17) 0.33203(17) 0.0349(5) Uani 1 1 d . . . . . O4 O 0.9647(4) 0.65410(18) 0.43868(17) 0.0365(5) Uani 1 1 d . . . . . O5 O 0.7276(4) 0.6768(2) 0.3233(2) 0.0553(8) Uani 1 1 d . . . . . N1 N 0.1327(4) 0.58039(17) 0.7519(2) 0.0261(5) Uani 1 1 d . . . . . N2 N 0.2700(3) 0.52069(15) 0.78635(18) 0.0204(4) Uani 1 1 d . . . . . C1 C 0.2344(4) 0.64523(18) 0.7074(2) 0.0233(6) Uani 1 1 d . . . . . C2 C 0.1640(4) 0.7229(2) 0.6559(2) 0.0306(6) Uani 1 1 d . . . . . H2 H 0.033980 0.735585 0.650250 0.037 Uiso 1 1 calc R U . . . C3 C 0.2947(5) 0.7784(2) 0.6148(2) 0.0334(7) Uani 1 1 d . . . . . H3 H 0.251958 0.829203 0.579763 0.040 Uiso 1 1 calc R U . . . C4 C 0.1126(4) 0.3133(2) 0.9775(2) 0.0253(6) Uani 1 1 d . . . . . C5 C 0.5648(5) 0.68766(19) 0.6743(2) 0.0252(6) Uani 1 1 d . . . . . H5 H 0.695631 0.677282 0.681367 0.030 Uiso 1 1 calc R U . . . C6 C 0.4320(4) 0.62760(17) 0.7158(2) 0.0197(5) Uani 1 1 d . . . . . C7 C 0.4521(4) 0.54554(18) 0.76705(19) 0.0185(5) Uani 1 1 d . . . . . C8 C 0.6381(4) 0.49646(17) 0.7881(2) 0.0192(5) Uani 1 1 d . . . . . H8 H 0.735470 0.540712 0.809746 0.023 Uiso 1 1 calc R U . . . C9 C 0.6385(4) 0.42112(18) 0.8636(2) 0.0194(5) Uani 1 1 d . . . . . C10 C 0.6156(4) 0.42387(19) 0.9669(2) 0.0212(5) Uani 1 1 d . . . . . C11 C 0.6035(4) 0.5055(2) 1.0209(2) 0.0267(6) Uani 1 1 d . . . . . H11 H 0.615873 0.560419 0.988288 0.032 Uiso 1 1 calc R U . . . C12 C 0.5737(5) 0.5043(2) 1.1216(2) 0.0332(7) Uani 1 1 d . . . . . H12 H 0.566115 0.558156 1.156769 0.040 Uiso 1 1 calc R U . . . C13 C 0.5545(5) 0.4206(3) 1.1715(2) 0.0353(7) Uani 1 1 d . . . . . H13 H 0.530770 0.419965 1.238980 0.042 Uiso 1 1 calc R U . . . C14 C 0.5706(5) 0.3411(2) 1.1213(2) 0.0315(7) Uani 1 1 d . . . . . H14 H 0.561690 0.286817 1.155633 0.038 Uiso 1 1 calc R U . . . C15 C 0.6006(4) 0.3400(2) 1.0176(2) 0.0244(6) Uani 1 1 d . . . . . C16 C 0.6151(4) 0.2579(2) 0.9641(2) 0.0269(6) Uani 1 1 d . . . . . H16 H 0.607100 0.203492 0.998134 0.032 Uiso 1 1 calc R U . . . C17 C 0.6406(4) 0.2565(2) 0.8632(2) 0.0257(6) Uani 1 1 d . . . . . H17 H 0.651126 0.202502 0.828596 0.031 Uiso 1 1 calc R U . . . C18 C 0.6500(4) 0.34025(18) 0.8147(2) 0.0213(5) Uani 1 1 d . . . . . C19 C 0.7131(4) 0.44247(18) 0.6970(2) 0.0211(5) Uani 1 1 d . . . . . H19 H 0.852804 0.446599 0.699893 0.025 Uiso 1 1 calc R U . . . C20 C 0.2069(4) 0.44846(18) 0.8489(2) 0.0204(5) Uani 1 1 d . . . . . C21 C 0.1470(4) 0.47067(19) 0.9427(2) 0.0258(6) Uani 1 1 d . . . . . H21 H 0.139253 0.530849 0.961876 0.031 Uiso 1 1 calc R U . . . C22 C 0.0988(4) 0.4027(2) 1.0075(2) 0.0288(6) Uani 1 1 d . . . . . H22 H 0.057664 0.416709 1.070405 0.035 Uiso 1 1 calc R U . . . C23 C 0.4940(5) 0.7607(2) 0.6241(2) 0.0305(6) Uani 1 1 d . . . . . H23 H 0.578068 0.800218 0.595012 0.037 Uiso 1 1 calc R U . . . C24 C 0.1631(4) 0.2910(2) 0.8819(2) 0.0264(6) Uani 1 1 d . . . . . H24 H 0.165651 0.230974 0.861661 0.032 Uiso 1 1 calc R U . . . C25 C 0.2096(4) 0.35975(19) 0.8169(2) 0.0234(6) Uani 1 1 d . . . . . H25 H 0.242443 0.346163 0.752336 0.028 Uiso 1 1 calc R U . . . C26 C 0.6413(4) 0.47366(18) 0.5952(2) 0.0209(5) Uani 1 1 d . . . . . C27 C 0.4622(4) 0.44871(19) 0.5557(2) 0.0231(6) Uani 1 1 d . . . . . H27 H 0.388722 0.407489 0.589356 0.028 Uiso 1 1 calc R U . . . C28 C 0.3928(4) 0.48562(19) 0.4654(2) 0.0232(5) Uani 1 1 d . . . . . C29 C 0.5004(5) 0.5486(2) 0.4160(2) 0.0259(6) Uani 1 1 d . . . . . H29 H 0.452205 0.574531 0.356935 0.031 Uiso 1 1 calc R U . . . C30 C 0.6803(4) 0.57275(19) 0.4550(2) 0.0254(6) Uani 1 1 d . . . . . C31 C 0.7521(4) 0.5344(2) 0.5442(2) 0.0235(5) Uani 1 1 d . . . . . H31 H 0.873885 0.549448 0.569334 0.028 Uiso 1 1 calc R U . . . C32 C 1.0803(5) 0.7185(3) 0.3865(2) 0.0413(7) Uani 1 1 d . . . . . H32A H 1.080443 0.702647 0.317254 0.062 Uiso 1 1 calc R U . . . H32B H 1.208820 0.717371 0.414681 0.062 Uiso 1 1 calc R U . . . H32C H 1.028168 0.778006 0.393240 0.062 Uiso 1 1 calc R U . . . C33 C 0.7893(5) 0.6403(2) 0.3983(2) 0.0319(7) Uani 1 1 d . . . . . C34 C 0.2037(5) 0.4544(2) 0.4224(2) 0.0277(6) Uani 1 1 d . . . . . C35 C -0.0092(5) 0.4606(3) 0.2811(3) 0.0413(8) Uani 1 1 d . . . . . H35A H -0.034612 0.497661 0.223275 0.062 Uiso 1 1 calc R U . . . H35B H -0.112709 0.465967 0.324951 0.062 Uiso 1 1 calc R U . . . H35C H 0.003354 0.398795 0.260952 0.062 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 Br1 0.03415(16) 0.03713(17) 0.04037(18) 0.01902(15) 0.00392(12) -0.00101(15) O1 0.0308(11) 0.0208(9) 0.0229(10) 0.0014(7) 0.0073(8) 0.0032(8) O2 0.0322(12) 0.0517(14) 0.0419(14) 0.0068(11) -0.0031(10) -0.0135(11) O3 0.0327(12) 0.0460(13) 0.0253(11) 0.0002(10) -0.0050(9) -0.0035(10) O4 0.0369(12) 0.0422(13) 0.0304(12) 0.0109(9) 0.0033(10) -0.0148(10) O5 0.0567(17) 0.0660(18) 0.0419(15) 0.0316(14) -0.0099(13) -0.0221(14) N1 0.0219(12) 0.0257(11) 0.0304(13) 0.0037(10) -0.0009(10) 0.0026(9) N2 0.0192(11) 0.0188(10) 0.0231(11) 0.0029(8) 0.0019(9) -0.0012(8) C1 0.0266(14) 0.0217(13) 0.0215(13) -0.0002(10) 0.0001(11) 0.0026(11) C2 0.0307(13) 0.0277(12) 0.0329(14) 0.0038(15) -0.0025(11) 0.0069(16) C3 0.0452(19) 0.0236(14) 0.0310(16) 0.0074(12) -0.0010(13) 0.0032(13) C4 0.0203(13) 0.0274(13) 0.0285(15) 0.0064(11) 0.0023(11) 0.0000(11) C5 0.0302(15) 0.0228(12) 0.0231(14) 0.0002(10) 0.0048(11) -0.0029(11) C6 0.0240(13) 0.0181(11) 0.0173(12) -0.0001(10) 0.0029(10) 0.0003(10) C7 0.0190(13) 0.0196(11) 0.0173(12) -0.0005(9) 0.0028(10) 0.0008(10) C8 0.0199(13) 0.0198(11) 0.0180(12) 0.0005(10) 0.0006(10) -0.0015(10) C9 0.0171(12) 0.0209(12) 0.0203(12) 0.0029(10) 0.0024(10) 0.0010(10) C10 0.0188(12) 0.0237(12) 0.0211(13) 0.0040(10) -0.0009(10) 0.0017(10) C11 0.0306(15) 0.0272(14) 0.0221(14) 0.0009(11) -0.0008(12) 0.0030(11) C12 0.0379(17) 0.0387(17) 0.0227(15) -0.0024(12) -0.0010(13) 0.0047(13) C13 0.0409(18) 0.0464(18) 0.0185(14) 0.0035(13) 0.0007(13) 0.0028(15) C14 0.0306(16) 0.0387(17) 0.0253(15) 0.0117(12) 0.0010(12) 0.0012(13) C15 0.0217(13) 0.0271(14) 0.0244(14) 0.0063(11) 0.0007(11) 0.0005(11) C16 0.0255(14) 0.0242(12) 0.0312(15) 0.0093(11) 0.0030(11) 0.0005(11) C17 0.0270(15) 0.0199(11) 0.0303(15) 0.0021(11) 0.0041(12) 0.0017(11) C18 0.0186(12) 0.0230(13) 0.0226(13) 0.0023(10) 0.0035(10) 0.0009(10) C19 0.0193(13) 0.0227(13) 0.0216(13) 0.0035(10) 0.0044(10) -0.0003(10) C20 0.0163(12) 0.0213(12) 0.0239(13) 0.0035(10) 0.0022(10) -0.0012(10) C21 0.0296(15) 0.0224(13) 0.0258(14) 0.0008(11) 0.0056(11) 0.0030(11) C22 0.0303(15) 0.0329(15) 0.0240(14) 0.0034(12) 0.0101(12) 0.0021(12) C23 0.0430(18) 0.0227(13) 0.0265(15) 0.0041(11) 0.0084(13) -0.0023(13) C24 0.0245(14) 0.0227(12) 0.0320(15) -0.0005(11) 0.0016(12) -0.0012(11) C25 0.0214(13) 0.0251(13) 0.0238(14) -0.0022(11) 0.0033(11) -0.0023(11) C26 0.0237(13) 0.0210(12) 0.0184(13) -0.0002(10) 0.0046(10) 0.0030(10) C27 0.0262(15) 0.0228(12) 0.0209(13) -0.0005(10) 0.0061(11) -0.0018(11) C28 0.0232(14) 0.0250(13) 0.0214(13) -0.0034(11) 0.0013(11) 0.0011(11) C29 0.0325(15) 0.0268(13) 0.0184(13) -0.0005(10) 0.0022(11) 0.0000(12) C30 0.0290(15) 0.0260(13) 0.0217(13) 0.0015(11) 0.0055(11) -0.0022(11) C31 0.0234(14) 0.0252(13) 0.0223(13) -0.0024(11) 0.0050(11) -0.0024(11) C32 0.0432(17) 0.0451(17) 0.0364(16) 0.0096(17) 0.0084(13) -0.0199(19) C33 0.0352(17) 0.0337(16) 0.0271(15) 0.0055(12) 0.0042(13) -0.0060(13) C34 0.0282(15) 0.0297(14) 0.0252(14) -0.0048(12) 0.0022(12) 0.0026(12) C35 0.0355(18) 0.057(2) 0.0308(17) -0.0063(15) -0.0075(14) -0.0028(16) _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 C4 1.898(3) . ? O1 C18 1.377(3) . ? O1 C19 1.452(3) . ? O2 C34 1.201(4) . ? O3 C34 1.338(4) . ? O3 C35 1.440(4) . ? O4 C32 1.453(4) . ? O4 C33 1.335(4) . ? O5 C33 1.206(4) . ? N1 N2 1.371(3) . ? N1 C1 1.353(4) . ? N2 C7 1.365(3) . ? N2 C20 1.443(3) . ? C1 C2 1.419(4) . ? C1 C6 1.408(4) . ? C2 H2 0.9300 . ? C2 C3 1.366(5) . ? C3 H3 0.9300 . ? C3 C23 1.421(5) . ? C4 C22 1.388(4) . ? C4 C24 1.389(4) . ? C5 H5 0.9300 . ? C5 C6 1.420(4) . ? C5 C23 1.356(4) . ? C6 C7 1.401(4) . ? C7 C8 1.508(4) . ? C8 H8 0.9800 . ? C8 C9 1.507(4) . ? C8 C19 1.574(4) . ? C9 C10 1.406(4) . ? C9 C18 1.370(4) . ? C10 C11 1.414(4) . ? C10 C15 1.424(4) . ? C11 H11 0.9300 . ? C11 C12 1.379(5) . ? C12 H12 0.9300 . ? C12 C13 1.417(5) . ? C13 H13 0.9300 . ? C13 C14 1.364(5) . ? C14 H14 0.9300 . ? C14 C15 1.419(4) . ? C15 C16 1.418(4) . ? C16 H16 0.9300 . ? C16 C17 1.376(5) . ? C17 H17 0.9300 . ? C17 C18 1.403(4) . ? C19 H19 0.9800 . ? C19 C26 1.507(4) . ? C20 C21 1.386(4) . ? C20 C25 1.383(4) . ? C21 H21 0.9300 . ? C21 C22 1.383(4) . ? C22 H22 0.9300 . ? C23 H23 0.9300 . ? C24 H24 0.9300 . ? C24 C25 1.390(4) . ? C25 H25 0.9300 . ? C26 C27 1.389(4) . ? C26 C31 1.390(4) . ? C27 H27 0.9300 . ? C27 C28 1.397(4) . ? C28 C29 1.389(4) . ? C28 C34 1.493(4) . ? C29 H29 0.9300 . ? C29 C30 1.389(4) . ? C30 C31 1.397(4) . ? C30 C33 1.490(4) . ? C31 H31 0.9300 . ? C32 H32A 0.9600 . ? C32 H32B 0.9600 . ? C32 H32C 0.9600 . ? C35 H35A 0.9600 . ? C35 H35B 0.9600 . ? C35 H35C 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 C18 O1 C19 105.3(2) . . ? C34 O3 C35 116.2(3) . . ? C33 O4 C32 115.4(3) . . ? C1 N1 N2 103.3(2) . . ? N1 N2 C20 116.4(2) . . ? C7 N2 N1 114.2(2) . . ? C7 N2 C20 128.8(2) . . ? N1 C1 C2 127.8(3) . . ? N1 C1 C6 111.7(2) . . ? C6 C1 C2 120.5(3) . . ? C1 C2 H2 121.3 . . ? C3 C2 C1 117.4(3) . . ? C3 C2 H2 121.3 . . ? C2 C3 H3 119.0 . . ? C2 C3 C23 122.0(3) . . ? C23 C3 H3 119.0 . . ? C22 C4 Br1 118.8(2) . . ? C22 C4 C24 121.3(3) . . ? C24 C4 Br1 119.9(2) . . ? C6 C5 H5 121.2 . . ? C23 C5 H5 121.2 . . ? C23 C5 C6 117.6(3) . . ? C1 C6 C5 120.9(3) . . ? C7 C6 C1 106.0(2) . . ? C7 C6 C5 133.1(3) . . ? N2 C7 C6 104.7(2) . . ? N2 C7 C8 130.0(2) . . ? C6 C7 C8 125.2(2) . . ? C7 C8 H8 108.5 . . ? C7 C8 C19 114.6(2) . . ? C9 C8 C7 117.2(2) . . ? C9 C8 H8 108.5 . . ? C9 C8 C19 99.1(2) . . ? C19 C8 H8 108.5 . . ? C10 C9 C8 130.3(2) . . ? C18 C9 C8 108.8(2) . . ? C18 C9 C10 120.7(3) . . ? C9 C10 C11 122.9(3) . . ? C9 C10 C15 117.5(3) . . ? C11 C10 C15 119.5(3) . . ? C10 C11 H11 119.8 . . ? C12 C11 C10 120.5(3) . . ? C12 C11 H11 119.8 . . ? C11 C12 H12 120.1 . . ? C11 C12 C13 119.8(3) . . ? C13 C12 H12 120.1 . . ? C12 C13 H13 119.7 . . ? C14 C13 C12 120.6(3) . . ? C14 C13 H13 119.7 . . ? C13 C14 H14 119.5 . . ? C13 C14 C15 121.0(3) . . ? C15 C14 H14 119.5 . . ? C14 C15 C10 118.5(3) . . ? C16 C15 C10 119.7(3) . . ? C16 C15 C14 121.7(3) . . ? C15 C16 H16 119.0 . . ? C17 C16 C15 121.9(3) . . ? C17 C16 H16 119.0 . . ? C16 C17 H17 121.5 . . ? C16 C17 C18 117.1(3) . . ? C18 C17 H17 121.5 . . ? O1 C18 C17 123.2(3) . . ? C9 C18 O1 113.7(2) . . ? C9 C18 C17 123.0(3) . . ? O1 C19 C8 105.9(2) . . ? O1 C19 H19 107.9 . . ? O1 C19 C26 110.8(2) . . ? C8 C19 H19 107.9 . . ? C26 C19 C8 116.2(2) . . ? C26 C19 H19 107.9 . . ? C21 C20 N2 117.9(2) . . ? C25 C20 N2 120.9(3) . . ? C25 C20 C21 121.2(3) . . ? C20 C21 H21 120.2 . . ? C22 C21 C20 119.5(3) . . ? C22 C21 H21 120.2 . . ? C4 C22 H22 120.3 . . ? C21 C22 C4 119.3(3) . . ? C21 C22 H22 120.3 . . ? C3 C23 H23 119.1 . . ? C5 C23 C3 121.7(3) . . ? C5 C23 H23 119.1 . . ? C4 C24 H24 120.5 . . ? C4 C24 C25 119.0(3) . . ? C25 C24 H24 120.5 . . ? C20 C25 C24 119.5(3) . . ? C20 C25 H25 120.2 . . ? C24 C25 H25 120.2 . . ? C27 C26 C19 121.4(3) . . ? C27 C26 C31 120.0(3) . . ? C31 C26 C19 118.4(3) . . ? C26 C27 H27 120.0 . . ? C26 C27 C28 119.9(3) . . ? C28 C27 H27 120.0 . . ? C27 C28 C34 118.8(3) . . ? C29 C28 C27 120.2(3) . . ? C29 C28 C34 121.0(3) . . ? C28 C29 H29 120.1 . . ? C28 C29 C30 119.8(3) . . ? C30 C29 H29 120.1 . . ? C29 C30 C31 120.1(3) . . ? C29 C30 C33 117.3(3) . . ? C31 C30 C33 122.6(3) . . ? C26 C31 C30 119.9(3) . . ? C26 C31 H31 120.0 . . ? C30 C31 H31 120.0 . . ? O4 C32 H32A 109.5 . . ? O4 C32 H32B 109.5 . . ? O4 C32 H32C 109.5 . . ? H32A C32 H32B 109.5 . . ? H32A C32 H32C 109.5 . . ? H32B C32 H32C 109.5 . . ? O4 C33 C30 112.3(3) . . ? O5 C33 O4 123.9(3) . . ? O5 C33 C30 123.8(3) . . ? O2 C34 O3 123.9(3) . . ? O2 C34 C28 124.6(3) . . ? O3 C34 C28 111.4(3) . . ? O3 C35 H35A 109.5 . . ? O3 C35 H35B 109.5 . . ? O3 C35 H35C 109.5 . . ? H35A C35 H35B 109.5 . . ? H35A C35 H35C 109.5 . . ? H35B C35 H35C 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 Br1 C4 C22 C21 174.0(2) . . . . ? Br1 C4 C24 C25 -174.5(2) . . . . ? O1 C19 C26 C27 40.4(3) . . . . ? O1 C19 C26 C31 -144.7(2) . . . . ? N1 N2 C7 C6 -0.2(3) . . . . ? N1 N2 C7 C8 -176.7(3) . . . . ? N1 N2 C20 C21 -68.3(3) . . . . ? N1 N2 C20 C25 112.9(3) . . . . ? N1 C1 C2 C3 -178.6(3) . . . . ? N1 C1 C6 C5 -179.8(3) . . . . ? N1 C1 C6 C7 1.3(3) . . . . ? N2 N1 C1 C2 177.8(3) . . . . ? N2 N1 C1 C6 -1.4(3) . . . . ? N2 C7 C8 C9 -17.8(4) . . . . ? N2 C7 C8 C19 97.7(3) . . . . ? N2 C20 C21 C22 -175.3(3) . . . . ? N2 C20 C25 C24 174.7(3) . . . . ? C1 N1 N2 C7 1.0(3) . . . . ? C1 N1 N2 C20 172.6(2) . . . . ? C1 C2 C3 C23 -1.0(5) . . . . ? C1 C6 C7 N2 -0.6(3) . . . . ? C1 C6 C7 C8 176.1(2) . . . . ? C2 C1 C6 C5 1.0(4) . . . . ? C2 C1 C6 C7 -178.0(3) . . . . ? C2 C3 C23 C5 0.0(5) . . . . ? C4 C24 C25 C20 0.7(4) . . . . ? C5 C6 C7 N2 -179.4(3) . . . . ? C5 C6 C7 C8 -2.7(5) . . . . ? C6 C1 C2 C3 0.5(4) . . . . ? C6 C5 C23 C3 1.5(4) . . . . ? C6 C7 C8 C9 166.4(2) . . . . ? C6 C7 C8 C19 -78.1(3) . . . . ? C7 N2 C20 C21 101.9(3) . . . . ? C7 N2 C20 C25 -76.9(4) . . . . ? C7 C8 C9 C10 -67.3(4) . . . . ? C7 C8 C9 C18 107.6(3) . . . . ? C7 C8 C19 O1 -100.3(2) . . . . ? C7 C8 C19 C26 23.1(3) . . . . ? C8 C9 C10 C11 -5.9(5) . . . . ? C8 C9 C10 C15 172.9(3) . . . . ? C8 C9 C18 O1 1.2(3) . . . . ? C8 C9 C18 C17 -175.6(3) . . . . ? C8 C19 C26 C27 -80.5(3) . . . . ? C8 C19 C26 C31 94.4(3) . . . . ? C9 C8 C19 O1 25.3(2) . . . . ? C9 C8 C19 C26 148.7(2) . . . . ? C9 C10 C11 C12 177.5(3) . . . . ? C9 C10 C15 C14 -177.8(3) . . . . ? C9 C10 C15 C16 2.0(4) . . . . ? C10 C9 C18 O1 176.7(2) . . . . ? C10 C9 C18 C17 -0.2(4) . . . . ? C10 C11 C12 C13 -0.1(5) . . . . ? C10 C15 C16 C17 -1.0(4) . . . . ? C11 C10 C15 C14 1.1(4) . . . . ? C11 C10 C15 C16 -179.2(3) . . . . ? C11 C12 C13 C14 1.8(5) . . . . ? C12 C13 C14 C15 -2.1(5) . . . . ? C13 C14 C15 C10 0.6(5) . . . . ? C13 C14 C15 C16 -179.2(3) . . . . ? C14 C15 C16 C17 178.8(3) . . . . ? C15 C10 C11 C12 -1.3(5) . . . . ? C15 C16 C17 C18 -0.6(4) . . . . ? C16 C17 C18 O1 -175.4(3) . . . . ? C16 C17 C18 C9 1.2(4) . . . . ? C18 O1 C19 C8 -25.8(3) . . . . ? C18 O1 C19 C26 -152.6(2) . . . . ? C18 C9 C10 C11 179.8(3) . . . . ? C18 C9 C10 C15 -1.4(4) . . . . ? C19 O1 C18 C9 16.1(3) . . . . ? C19 O1 C18 C17 -167.1(3) . . . . ? C19 C8 C9 C10 168.9(3) . . . . ? C19 C8 C9 C18 -16.2(3) . . . . ? C19 C26 C27 C28 173.9(2) . . . . ? C19 C26 C31 C30 -172.6(3) . . . . ? C20 N2 C7 C6 -170.6(3) . . . . ? C20 N2 C7 C8 13.0(5) . . . . ? C20 C21 C22 C4 0.4(5) . . . . ? C21 C20 C25 C24 -4.1(4) . . . . ? C22 C4 C24 C25 3.2(4) . . . . ? C23 C5 C6 C1 -1.9(4) . . . . ? C23 C5 C6 C7 176.7(3) . . . . ? C24 C4 C22 C21 -3.8(5) . . . . ? C25 C20 C21 C22 3.5(4) . . . . ? C26 C27 C28 C29 -1.3(4) . . . . ? C26 C27 C28 C34 177.2(3) . . . . ? C27 C26 C31 C30 2.3(4) . . . . ? C27 C28 C29 C30 2.0(4) . . . . ? C27 C28 C34 O2 3.1(5) . . . . ? C27 C28 C34 O3 -174.4(3) . . . . ? C28 C29 C30 C31 -0.5(4) . . . . ? C28 C29 C30 C33 179.7(3) . . . . ? C29 C28 C34 O2 -178.3(3) . . . . ? C29 C28 C34 O3 4.1(4) . . . . ? C29 C30 C31 C26 -1.6(4) . . . . ? C29 C30 C33 O4 -175.8(3) . . . . ? C29 C30 C33 O5 2.7(5) . . . . ? C31 C26 C27 C28 -0.9(4) . . . . ? C31 C30 C33 O4 4.4(4) . . . . ? C31 C30 C33 O5 -177.1(4) . . . . ? C32 O4 C33 O5 0.8(5) . . . . ? C32 O4 C33 C30 179.3(3) . . . . ? C33 C30 C31 C26 178.1(3) . . . . ? C34 C28 C29 C30 -176.5(3) . . . . ? C35 O3 C34 O2 -0.7(5) . . . . ? C35 O3 C34 C28 176.8(3) . . . . ? _shelx_res_file ; TITL 68-3_a.res in P2(1) 68-3.res created by SHELXL-2018/3 at 21:37:55 on 24-Jun-2021 REM Old TITL 68-3 in P2(1) REM SHELXT solution in P2(1): R1 0.079, Rweak 0.052, Alpha 0.002 REM 3.192 for 8 systematic absences, Orientation as input REM Flack x = 0.024 ( 0.011 ) from 1333 Parsons' quotients REM Formula found by SHELXT: C35 N3 O4 Br CELL 1.54184 7.009191 14.808401 13.43495 90 92.7469 90 ZERR 2 0.000175 0.000333 0.000345 0 0.0023 0 LATT -1 SYMM -X,0.5+Y,-Z SFAC C H Br N O UNIT 70 50 2 4 10 L.S. 10 PLAN 5 CONF BOND list 4 fmap 2 53 acta MORE -1 BOND $H LIST 4 OMIT -7 -6 4 OMIT 1 5 9 REM REM REM WGHT 0.041600 0.160800 FVAR 6.37060 BR1 3 0.069962 0.220549 1.071459 11.00000 0.03415 0.03713 = 0.04037 0.01902 0.00392 -0.00101 O1 5 0.661920 0.348772 0.713145 11.00000 0.03081 0.02076 = 0.02286 0.00141 0.00731 0.00324 O2 5 0.101350 0.401711 0.461946 11.00000 0.03216 0.05174 = 0.04187 0.00677 -0.00310 -0.01354 O3 5 0.165469 0.489882 0.332028 11.00000 0.03267 0.04603 = 0.02527 0.00018 -0.00503 -0.00348 O4 5 0.964657 0.654102 0.438675 11.00000 0.03692 0.04222 = 0.03041 0.01091 0.00332 -0.01479 O5 5 0.727578 0.676812 0.323321 11.00000 0.05674 0.06600 = 0.04188 0.03159 -0.00988 -0.02205 N1 4 0.132684 0.580390 0.751936 11.00000 0.02193 0.02572 = 0.03040 0.00369 -0.00087 0.00256 N2 4 0.269988 0.520689 0.786346 11.00000 0.01923 0.01880 = 0.02313 0.00286 0.00189 -0.00122 C1 1 0.234445 0.645227 0.707415 11.00000 0.02657 0.02167 = 0.02148 -0.00023 0.00011 0.00258 C2 1 0.164009 0.722923 0.655865 11.00000 0.03073 0.02774 = 0.03293 0.00383 -0.00251 0.00691 AFIX 43 H2 2 0.033980 0.735585 0.650250 11.00000 -1.20000 AFIX 0 C3 1 0.294695 0.778366 0.614830 11.00000 0.04517 0.02361 = 0.03104 0.00739 -0.00095 0.00320 AFIX 43 H3 2 0.251958 0.829203 0.579763 11.00000 -1.20000 AFIX 0 C4 1 0.112581 0.313301 0.977543 11.00000 0.02030 0.02736 = 0.02848 0.00640 0.00227 0.00004 C5 1 0.564823 0.687664 0.674327 11.00000 0.03017 0.02284 = 0.02307 0.00023 0.00484 -0.00285 AFIX 43 H5 2 0.695631 0.677282 0.681367 11.00000 -1.20000 AFIX 0 C6 1 0.432030 0.627603 0.715778 11.00000 0.02396 0.01807 = 0.01732 -0.00013 0.00291 0.00027 C7 1 0.452132 0.545545 0.767046 11.00000 0.01899 0.01956 = 0.01726 -0.00048 0.00285 0.00076 C8 1 0.638128 0.496460 0.788113 11.00000 0.01990 0.01980 = 0.01802 0.00052 0.00060 -0.00152 AFIX 13 H8 2 0.735470 0.540712 0.809746 11.00000 -1.20000 AFIX 0 C9 1 0.638463 0.421120 0.863583 11.00000 0.01714 0.02092 = 0.02030 0.00290 0.00238 0.00099 C10 1 0.615551 0.423873 0.966924 11.00000 0.01878 0.02370 = 0.02106 0.00405 -0.00090 0.00166 C11 1 0.603537 0.505499 1.020933 11.00000 0.03058 0.02716 = 0.02212 0.00089 -0.00080 0.00296 AFIX 43 H11 2 0.615873 0.560419 0.988288 11.00000 -1.20000 AFIX 0 C12 1 0.573666 0.504257 1.121647 11.00000 0.03791 0.03871 = 0.02267 -0.00236 -0.00100 0.00473 AFIX 43 H12 2 0.566115 0.558156 1.156769 11.00000 -1.20000 AFIX 0 C13 1 0.554508 0.420626 1.171469 11.00000 0.04087 0.04636 = 0.01849 0.00348 0.00074 0.00283 AFIX 43 H13 2 0.530770 0.419965 1.238980 11.00000 -1.20000 AFIX 0 C14 1 0.570554 0.341096 1.121344 11.00000 0.03057 0.03872 = 0.02529 0.01174 0.00103 0.00118 AFIX 43 H14 2 0.561690 0.286817 1.155633 11.00000 -1.20000 AFIX 0 C15 1 0.600575 0.339960 1.017648 11.00000 0.02168 0.02706 = 0.02443 0.00630 0.00071 0.00049 C16 1 0.615073 0.257936 0.964079 11.00000 0.02546 0.02425 = 0.03124 0.00930 0.00298 0.00054 AFIX 43 H16 2 0.607100 0.203492 0.998134 11.00000 -1.20000 AFIX 0 C17 1 0.640599 0.256546 0.863163 11.00000 0.02700 0.01991 = 0.03029 0.00210 0.00406 0.00168 AFIX 43 H17 2 0.651126 0.202502 0.828596 11.00000 -1.20000 AFIX 0 C18 1 0.650042 0.340249 0.814727 11.00000 0.01855 0.02302 = 0.02257 0.00227 0.00353 0.00087 C19 1 0.713104 0.442466 0.696956 11.00000 0.01935 0.02272 = 0.02163 0.00354 0.00437 -0.00030 AFIX 13 H19 2 0.852804 0.446599 0.699893 11.00000 -1.20000 AFIX 0 C20 1 0.206856 0.448459 0.848926 11.00000 0.01628 0.02126 = 0.02387 0.00353 0.00221 -0.00117 C21 1 0.146987 0.470673 0.942674 11.00000 0.02958 0.02238 = 0.02578 0.00080 0.00564 0.00298 AFIX 43 H21 2 0.139253 0.530849 0.961876 11.00000 -1.20000 AFIX 0 C22 1 0.098826 0.402680 1.007462 11.00000 0.03027 0.03294 = 0.02399 0.00344 0.01010 0.00207 AFIX 43 H22 2 0.057664 0.416709 1.070405 11.00000 -1.20000 AFIX 0 C23 1 0.494011 0.760683 0.624121 11.00000 0.04301 0.02268 = 0.02651 0.00407 0.00836 -0.00233 AFIX 43 H23 2 0.578068 0.800218 0.595012 11.00000 -1.20000 AFIX 0 C24 1 0.163051 0.290997 0.881917 11.00000 0.02453 0.02267 = 0.03201 -0.00050 0.00157 -0.00124 AFIX 43 H24 2 0.165651 0.230974 0.861661 11.00000 -1.20000 AFIX 0 C25 1 0.209641 0.359748 0.816902 11.00000 0.02142 0.02512 = 0.02378 -0.00220 0.00333 -0.00229 AFIX 43 H25 2 0.242443 0.346163 0.752336 11.00000 -1.20000 AFIX 0 C26 1 0.641273 0.473659 0.595194 11.00000 0.02367 0.02097 = 0.01845 -0.00020 0.00462 0.00298 C27 1 0.462249 0.448714 0.555714 11.00000 0.02619 0.02275 = 0.02092 -0.00046 0.00612 -0.00179 AFIX 43 H27 2 0.388722 0.407489 0.589356 11.00000 -1.20000 AFIX 0 C28 1 0.392754 0.485616 0.465421 11.00000 0.02321 0.02497 = 0.02141 -0.00342 0.00133 0.00113 C29 1 0.500398 0.548604 0.415971 11.00000 0.03253 0.02679 = 0.01842 -0.00053 0.00222 0.00001 AFIX 43 H29 2 0.452205 0.574531 0.356935 11.00000 -1.20000 AFIX 0 C30 1 0.680348 0.572749 0.455014 11.00000 0.02902 0.02601 = 0.02169 0.00150 0.00547 -0.00216 C31 1 0.752119 0.534383 0.544162 11.00000 0.02339 0.02523 = 0.02228 -0.00243 0.00503 -0.00235 AFIX 43 H31 2 0.873885 0.549448 0.569334 11.00000 -1.20000 AFIX 0 C32 1 1.080337 0.718495 0.386539 11.00000 0.04315 0.04513 = 0.03638 0.00961 0.00842 -0.01986 AFIX 137 H32A 2 1.080443 0.702647 0.317254 11.00000 -1.50000 H32B 2 1.208820 0.717371 0.414681 11.00000 -1.50000 H32C 2 1.028168 0.778006 0.393240 11.00000 -1.50000 AFIX 0 C33 1 0.789321 0.640278 0.398323 11.00000 0.03522 0.03371 = 0.02712 0.00545 0.00422 -0.00600 C34 1 0.203703 0.454420 0.422417 11.00000 0.02822 0.02966 = 0.02524 -0.00478 0.00223 0.00259 C35 1 -0.009189 0.460638 0.281051 11.00000 0.03546 0.05665 = 0.03083 -0.00626 -0.00749 -0.00280 AFIX 137 H35A 2 -0.034612 0.497661 0.223275 11.00000 -1.50000 H35B 2 -0.112709 0.465967 0.324951 11.00000 -1.50000 H35C 2 0.003354 0.398795 0.260952 11.00000 -1.50000 AFIX 0 HKLF 4 REM 68-3_a.res in P2(1) REM wR2 = 0.0685, GooF = S = 1.027, Restrained GooF = 1.027 for all data REM R1 = 0.0273 for 5340 Fo > 4sig(Fo) and 0.0281 for all 5469 data REM 390 parameters refined using 1 restraints END WGHT 0.0432 0.0740 REM Highest difference peak 0.203, deepest hole -0.515, 1-sigma level 0.057 Q1 1 0.6539 0.2200 1.0924 11.00000 0.05 0.20 Q2 1 0.6126 0.3838 0.8422 11.00000 0.05 0.17 Q3 1 0.5289 0.5169 0.7731 11.00000 0.05 0.17 Q4 1 0.1052 0.1449 0.9182 11.00000 0.05 0.17 Q5 1 1.4380 0.7417 0.4216 11.00000 0.05 0.16 ; _shelx_res_checksum 23257 _shelx_hkl_file ; 0 -18 1 1046.59 108.250 15 0 -18 2 3383.87 191.853 15 0 -18 3 441.777 81.7686 15 0 -17 0-187.796 120.085 19 0 -17 0 9.76769 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440.110 6 0 -13 10 7801.50 350.966 15 0 -13 -11 8451.67 428.451 6 0 -12 0 9993.24 642.517 7 0 -12 1 880.736 271.802 7 0 -12 -1 973.052 278.490 7 0 -12 2 33377.5 1333.83 7 0 -12 -2 33022.9 1334.34 7 0 -12 -3 3066.57 379.549 6 0 -12 -3 3701.37 412.288 7 0 -12 3 3873.72 403.146 7 0 -12 -4 2944.14 364.116 7 0 -12 -4 2493.40 342.154 6 0 -12 -5 5008.93 464.812 6 0 -12 -5 5671.04 481.758 7 0 -12 -6 52826.6 1856.25 7 0 -12 -6 53477.3 1873.83 6 0 -12 7 12881.6 638.975 15 0 -12 -7 13502.5 755.373 6 0 -12 -7 13979.1 732.579 7 0 -12 -8 15065.4 794.639 6 0 -12 8 14945.6 675.609 15 0 -12 -8 15908.2 764.175 7 0 -12 9 16328.4 665.284 15 0 -12 -9 15953.9 726.781 7 0 -12 -9 14928.2 771.045 6 0 -12 -10 469.737 202.826 6 0 -12 10 575.789 125.824 15 0 -12 -11 2421.46 260.074 6 0 -12 -12 9857.67 464.002 6 0 -11 0 183.943 202.710 7 0 -11 -1 46500.4 1529.86 4 0 -11 1 46336.0 1652.23 7 0 -11 -1 46460.0 1654.69 7 0 -11 -2 31126.9 1237.82 6 0 -11 2 33248.2 1276.49 7 0 -11 -2 30700.4 1165.86 4 0 -11 -2 33530.4 1277.31 7 0 -11 -3 14644.0 777.660 6 0 -11 -3 14895.5 732.996 4 0 -11 -3 16131.8 805.507 7 0 -11 3 16580.4 813.379 7 0 -11 -4 35324.8 1362.69 4 0 -11 4 38833.4 1433.40 7 0 -11 -4 37777.4 1426.97 6 0 -11 -4 38582.0 1438.35 7 0 -11 -5 27090.8 1130.75 6 0 -11 -5 24246.5 1063.47 4 0 -11 -5 27135.0 1124.71 7 0 -11 -6 11428.7 683.851 6 0 -11 -6 11029.7 660.770 7 0 -11 -7 49401.2 1744.13 7 0 -11 -7 50125.9 1783.09 6 0 -11 8 12730.1 613.589 15 0 -11 -8 12979.1 695.291 7 0 -11 -8 12549.5 729.832 6 0 -11 -9 3659.61 352.755 7 0 -11 9 3575.47 294.942 15 0 -11 -9 3557.50 386.822 6 0 -11 10 16207.7 640.312 15 0 -11 -10 14811.7 764.496 6 0 -11 -11 8413.35 511.437 6 0 -11 -12 2454.30 257.310 6 0 -11 -13 9356.23 433.881 6 0 -10 0 51214.5 1590.29 4 0 -10 -1 99788.3 2870.17 4 0 -10 -2 21419.3 863.122 4 0 -10 -3 3709.16 362.463 6 0 -10 3 3516.90 352.257 7 0 -10 -3 3856.91 370.241 7 0 -10 -3 3662.63 328.529 4 0 -10 -4 805.728 204.476 4 0 -10 4 766.830 207.056 7 0 -10 -4 827.883 215.068 7 0 -10 -4 809.809 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11815.0 573.597 11 2 10 10 11540.3 600.189 18 2 10 11 3900.35 315.907 18 -2 10 -11 4020.92 286.144 11 -2 10 -11 3750.41 296.459 6 -2 10 -12 12425.2 485.171 11 -2 10 -12 12490.7 518.089 6 2 10 12 12273.2 538.761 18 2 10 13 3052.07 206.898 18 2 11 -12 7753.91 354.135 6 -2 11 12 6986.82 340.445 18 -2 11 11 5032.00 324.349 18 -2 11 10 2123.61 254.188 18 -2 11 9 4921.41 390.579 18 -2 11 8 5442.58 433.901 18 -2 11 8 5367.81 390.053 12 -2 11 7 9151.69 539.051 12 -2 11 7 8203.22 543.671 18 -2 11 6 30104.9 1172.07 12 2 11 -6 30787.9 1122.65 11 -2 11 6 29515.8 1183.83 18 -2 11 5 38150.8 1394.61 12 -2 11 5 38343.9 1402.53 18 -2 11 4 2003.29 274.117 18 -2 11 4 1935.25 272.201 12 2 11 -4 1954.85 325.834 2 -2 11 3 4723.64 401.097 12 2 11 -3 5271.13 471.306 2 -2 11 3 4990.63 397.879 18 -2 11 2 2451.71 296.709 12 -2 11 2 2690.48 294.351 13 -2 11 2 2787.41 298.572 18 2 11 -2 2428.70 354.058 2 -2 11 1 29436.4 1086.67 13 -2 11 1 27520.3 1096.15 12 -2 11 1 29166.8 1093.33 11 2 11 -1 26867.9 1153.88 2 -2 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320.448 6 -2 12 11 6395.05 337.494 18 -2 12 10 6477.57 386.771 18 -2 12 9 9774.28 529.622 18 -2 12 8 13015.8 613.452 12 -2 12 8 12538.2 650.102 18 -2 12 7 1925.47 264.568 12 -2 12 7 1810.01 276.733 18 -2 12 6 10960.7 605.441 12 2 12 -6 10283.2 546.738 11 -2 12 6 9924.68 596.586 18 -2 12 5 4080.12 378.399 12 2 12 -5 4485.19 365.556 11 -2 12 5 4119.62 379.972 18 -2 12 4 15311.1 766.971 12 -2 12 4 15796.9 756.453 18 -2 12 3 2007.88 280.099 18 -2 12 3 2257.13 288.357 12 -2 12 2 11227.6 622.566 12 -2 12 2 11353.7 611.207 18 -2 12 1 28360.1 1081.02 11 -2 12 1 26655.9 1056.28 18 -2 12 0 18142.0 819.632 11 -2 12 0 18391.8 801.781 18 2 12 1 3115.27 310.195 12 -2 12 -1 2757.88 314.538 11 -2 12 -1 3379.28 316.155 18 -2 12 -2 8858.77 548.757 11 -2 12 -2 10297.0 536.295 18 -2 12 -3 7532.21 504.149 11 -2 12 -4 10489.7 610.988 11 2 12 4 11578.9 564.748 18 -2 12 -4 11009.0 583.805 17 -2 12 -5 23146.8 967.482 11 2 12 5 21526.2 887.540 18 -2 12 -5 23152.5 911.325 17 -2 12 -6 14447.2 644.559 17 -2 12 -6 13737.2 696.499 11 2 12 6 13593.3 655.287 18 -2 12 -7 6652.17 458.790 11 2 12 7 6523.39 430.159 18 -2 12 -8 7026.07 446.631 11 2 12 8 6923.00 428.973 18 -2 12 -9 2730.24 255.242 11 2 12 9 2273.48 246.165 18 -2 12 -10 7226.84 375.357 11 2 12 10 6845.48 381.544 18 2 12 11 4218.65 262.697 12 -2 12 -11 3954.28 232.980 11 -2 12 -11 4274.17 254.308 6 2 12 11 4053.47 258.835 18 -2 13 11 2698.82 185.658 18 -2 13 10 5146.11 308.148 18 -2 13 9 1776.84 221.043 18 -2 13 8 4081.84 337.841 18 -2 13 7 8599.75 493.648 12 -2 13 7 8698.04 513.046 18 -2 13 6 19843.9 861.482 12 2 13 -6 19314.9 795.421 11 -2 13 6 20616.9 878.244 18 -2 13 5 26635.4 1064.71 12 2 13 -5 25295.5 995.172 11 -2 13 5 26068.3 1040.45 18 -2 13 4 13435.9 699.399 12 -2 13 4 13340.6 680.713 18 -2 13 3 3416.31 331.158 18 -2 13 2 15727.6 736.874 18 -2 13 1 1892.55 266.628 11 -2 13 1 1754.63 250.558 18 -2 13 0 6931.83 473.510 11 -2 13 0 7793.49 472.935 18 2 13 1 9476.81 526.175 12 -2 13 -1 9435.72 561.050 11 -2 13 -1 10158.6 534.106 18 2 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12619.3 573.311 11 -2 16 2 11767.7 514.680 18 -2 16 1 5652.30 326.601 11 -2 16 1 5296.28 310.204 18 -2 16 0 1436.49 184.633 11 -2 16 0 1250.30 191.793 17 -2 16 -1 2143.40 223.198 11 -2 16 -1 2332.59 232.854 17 2 16 2 1424.54 163.895 12 -2 16 -2 1524.93 193.258 11 -2 16 -2 1465.14 185.071 17 2 16 3 4726.04 284.669 12 -2 16 -3 4528.40 309.214 11 -2 16 -3 4570.61 285.409 17 -2 16 -4 3595.33 231.183 17 2 16 4 3022.16 231.763 12 -2 16 -4 3340.22 257.585 11 2 16 5 6021.29 322.204 12 -2 16 -5 6004.08 334.938 11 2 16 6 9459.81 408.186 12 -2 16 -6 10395.5 430.478 11 -2 16 -7 3844.39 214.706 11 2 16 7 3756.67 209.423 12 -2 17 5 7596.38 320.688 17 2 17 -4 2782.03 188.013 11 -2 17 3 188.620 102.703 17 2 17 -3 17.3417 95.5466 11 -2 17 3 28.1587 74.8424 18 2 17 -2 3304.89 238.256 11 -2 17 2 3390.16 239.162 17 2 17 -1 2274.58 205.880 11 -2 17 1 1733.68 179.104 17 2 17 0 5903.00 331.712 11 -2 17 0 5580.55 284.628 11 -2 17 0 5296.59 304.186 17 -2 17 -1 2130.55 188.737 17 -2 17 -1 2364.28 191.625 11 2 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-7 0 3 1976.53 396.233 14 -7 0 3 1608.02 311.567 16 -7 0 2 12319.2 632.849 10 -7 0 2 10726.1 676.814 16 -7 0 1 9962.18 583.765 10 -7 0 1 9851.41 633.074 16 -7 0 0 15940.8 767.428 10 -7 0 0 14589.2 780.401 16 -7 0 -1 5084.36 436.893 10 -7 0 -1 5441.42 449.375 16 -7 0 -2 15881.9 794.261 10 -7 0 -3 16393.5 805.392 10 -7 0 -4 614.745 241.612 10 -7 0 -5 58.6622 195.665 10 -7 0 -6 1210.16 230.130 10 -7 0 -7 4407.94 328.622 10 -7 0 -7 4619.98 296.283 9 -7 0 -8 1064.21 179.932 10 -7 0 -8 1075.84 159.113 9 -7 1 10 6643.64 360.137 16 -7 1 9 3496.76 309.246 16 -7 1 8 8647.48 515.482 16 -7 1 7 982.814 259.051 16 -7 1 6 293.119 227.449 16 -7 1 5 18685.3 912.145 16 -7 1 4 16444.1 851.937 16 -7 1 3 8983.12 519.506 10 -7 1 3 9621.44 630.697 16 -7 1 2 13637.7 678.293 10 -7 1 2 13544.5 755.223 16 -7 1 1 168.890 179.714 10 -7 1 1-64.2458 199.021 16 -7 1 0 588.710 214.068 10 -7 1 0 465.545 235.612 16 -7 1 -1 7038.18 510.678 10 -7 1 -1 8901.36 552.247 16 -7 1 -2 8215.72 545.398 10 -7 1 -3 14826.5 753.808 10 -7 1 -4 17234.5 811.289 10 -7 1 -5 10603.9 588.729 10 -7 1 -6 2193.02 266.880 10 -7 1 -7 398.109 154.689 10 -7 1 -7 588.371 144.987 9 -7 1 -8 2827.29 231.895 10 -7 1 -8 3160.25 233.391 9 -7 2 10 508.597 139.687 16 -7 2 9 8409.33 469.569 16 -7 2 8 4158.56 360.802 16 -7 2 7 24167.5 1009.48 16 -7 2 6 3844.66 396.578 16 -7 2 5 22810.0 1015.96 16 -7 2 4 4085.85 428.207 16 -7 2 3 1919.97 251.526 10 -7 2 3 1924.10 325.091 16 -7 2 2 2639.97 298.236 10 -7 2 2 2375.09 331.859 16 -7 2 1 17017.6 786.250 10 -7 2 1 15414.3 793.216 16 -7 2 0 18085.6 834.686 10 -7 2 0 17345.8 829.249 16 -7 2 -1 16203.7 792.479 10 -7 2 -2 9210.10 575.133 10 -7 2 -3 2229.06 312.950 10 -7 2 -4 564.163 210.892 10 -7 2 -5 2026.91 284.865 10 -7 2 -6 14112.7 655.249 10 -7 2 -7 2755.47 255.669 10 -7 2 -7 3098.74 241.429 9 -7 2 -8 3913.73 248.756 9 -7 3 10 5119.99 304.646 16 -7 3 9 3919.47 310.265 16 -7 3 8 953.382 209.550 16 -7 3 7 6681.29 472.474 16 -7 3 6 3041.31 357.192 16 -7 3 5 8673.46 574.200 16 -7 3 4 8321.14 467.588 10 -7 3 4 7677.03 545.279 16 -7 3 3 6243.48 421.622 10 -7 3 3 6028.50 474.393 16 -7 3 2 20963.5 888.216 10 -7 3 2 21080.8 943.158 16 -7 3 1 13393.1 694.362 10 -7 3 1 14833.7 736.584 16 -7 3 0 5237.30 421.457 10 -7 3 -1 7071.03 496.771 10 -7 3 -2 14620.6 733.479 10 -7 3 -3 5309.55 426.066 10 -7 3 -4 1385.99 249.940 10 -7 3 -5 8465.99 448.419 11 -7 3 -5 7911.15 487.239 10 -7 3 -6 2108.00 242.345 10 -7 3 -7 717.648 153.726 10 -7 3 -7 711.543 146.246 9 -7 3 -8 365.924 99.6714 9 -7 4 9 311.624 155.055 16 -7 4 8 7956.49 470.962 16 -7 4 7 3063.09 245.189 13 -7 4 7 2676.23 306.451 16 -7 4 6 18261.6 713.870 13 -7 4 6 18251.8 837.695 16 -7 4 5 4113.11 327.822 13 -7 4 5 8229.24 569.938 16 -7 4 4 1638.28 224.684 10 -7 4 4 1313.63 258.656 16 -7 4 3 317.272 162.384 10 -7 4 3 433.652 205.495 16 -7 4 2 11252.3 597.967 10 -7 4 2 11484.1 632.584 16 -7 4 1 14545.3 711.960 10 -7 4 0 13551.7 693.419 10 -7 4 -1 7131.24 487.154 10 -7 4 -2 9068.99 552.823 10 -7 4 -3 2529.77 305.049 10 -7 4 -4 1907.37 272.690 10 -7 4 -5 1201.85 184.887 11 -7 4 -5 1447.35 228.034 10 -7 4 -6 14892.3 611.201 11 -7 4 -6 14700.8 641.200 10 -7 4 -7 4593.17 299.313 10 -7 4 -7 5158.28 286.704 9 -7 5 9 16030.2 644.055 16 -7 5 8 3825.86 250.275 13 -7 5 8 3651.47 306.138 16 -7 5 7 2220.35 215.963 13 -7 5 7 2325.33 274.234 16 -7 5 6 42.1223 121.581 13 -7 5 6 116.531 167.042 16 -7 5 5 9708.57 490.295 13 -7 5 5 9432.98 561.119 16 -7 5 4 10975.1 534.790 13 -7 5 4 10787.2 530.173 10 -7 5 4 9884.19 584.904 16 -7 5 3 7388.68 430.000 13 -7 5 3 6989.24 437.665 10 -7 5 3 6636.71 469.596 16 -7 5 2 3244.27 291.657 13 -7 5 2 3042.99 316.857 10 -7 5 2 3369.21 340.322 16 -7 5 1 6373.36 443.288 10 -7 5 0 1307.00 251.460 10 -7 5 -1 1670.29 271.617 10 -7 5 -2 2791.53 316.640 10 -7 5 -3 6222.23 436.251 10 -7 5 -4 9580.64 527.201 10 -7 5 -5 6537.06 360.343 11 -7 5 -5 6302.07 399.477 10 -7 5 -6 1742.92 190.257 11 -7 5 -6 1800.24 209.639 10 -7 6 9 7872.55 378.077 16 -7 6 8 13289.8 513.917 13 -7 6 8 13646.5 587.794 16 -7 6 7 4099.19 279.306 13 -7 6 7 4178.00 330.140 16 -7 6 6 3545.80 275.464 13 -7 6 6 3489.48 318.362 16 -7 6 5 7243.18 415.169 13 -7 6 5 8509.30 494.168 16 -7 6 4 800.702 175.437 13 -7 6 4 739.251 168.338 10 -7 6 4 751.192 199.866 16 -7 6 3 1388.09 207.117 13 -7 6 3 1585.12 224.610 10 -7 6 3 1686.64 249.069 16 -7 6 2 9616.88 503.240 13 -7 6 2 9030.55 514.856 10 -7 6 1 26653.5 1030.24 10 -7 6 0 14598.8 702.711 10 -7 6 -1 9669.81 553.649 10 -7 6 -2 12779.9 639.732 10 -7 6 -3 2856.88 295.751 10 -7 6 -4 10761.0 541.685 10 -7 6 -5 8408.77 446.068 10 -7 6 -6 4767.36 281.016 11 -7 6 -6 5376.59 315.111 10 -7 7 8 964.830 150.698 16 -7 7 7 1463.54 178.180 13 -7 7 7 1595.14 206.565 16 -7 7 6 4688.56 310.272 13 -7 7 6 4970.18 344.907 16 -7 7 5 4813.41 326.191 13 -7 7 5 5639.00 319.922 10 -7 7 5 5369.22 364.204 16 -7 7 4 6666.43 403.751 13 -7 7 4 7367.76 401.159 10 -7 7 4 7819.10 438.191 16 -7 7 3 16474.1 686.434 13 -7 7 3 15512.9 676.720 10 -7 7 2 11765.9 565.899 13 -7 7 2 11879.8 582.535 10 -7 7 1 3911.92 335.341 10 -7 7 0 193.650 172.103 10 -7 7 -1 2168.06 266.277 10 -7 7 -2 4721.25 357.672 10 -7 7 -3 4919.80 353.239 10 -7 7 -4 4762.46 327.899 10 -7 7 -5 967.609 165.094 10 -7 8 7 9230.61 396.361 13 -7 8 6 4596.95 285.969 13 -7 8 6 3810.06 272.231 16 -7 8 5 1585.28 192.094 13 -7 8 5 1080.91 155.354 10 -7 8 5 1141.64 193.325 16 -7 8 4 804.679 163.904 13 -7 8 4 712.081 149.525 10 -7 8 3 2630.59 250.398 13 -7 8 3 2706.66 247.678 10 -7 8 2 1504.19 203.807 10 -7 8 1 1876.34 237.111 10 -7 8 0 9921.40 517.276 10 -7 8 -1 6949.93 419.528 10 -7 8 -2 1874.82 224.576 10 -7 8 -3 463.770 145.200 10 -7 8 -4 1195.51 171.819 10 -7 8 -5 1525.38 159.384 10 -7 9 6 786.155 124.817 13 -7 9 5 12730.2 520.987 13 -7 9 4 6526.37 359.701 13 -7 9 4 6688.29 342.298 10 -7 9 3 4514.24 296.305 10 -7 9 2 3523.68 275.886 10 -7 9 1 149.732 134.927 10 -7 9 0 210.105 129.438 10 -7 9 -1 4359.11 303.962 10 -7 9 -2 140.582 121.853 10 -7 9 -3 9716.13 446.379 10 -7 9 -4 2227.75 184.829 10 -7 10 3 252.559 111.028 10 -7 10 2 1685.15 186.106 10 -7 10 1 5287.01 315.049 10 -7 10 0 8149.45 402.361 10 -7 10 -1 4163.60 272.653 10 -7 10 -2 4772.46 278.986 10 -7 11 1 943.959 127.713 10 -7 11 0 3303.46 212.691 10 -8 -7 2 1833.29 246.874 14 -8 -7 1 923.226 214.786 14 -8 -7 0 611.746 184.634 14 -8 -6 2 1262.89 276.071 14 -8 -6 1 12414.1 572.691 14 -8 -6 0 4492.56 338.632 14 -8 -6 -1 2686.92 262.799 14 -8 -5 5 5897.04 332.146 16 -8 -5 4 3982.83 299.952 16 -8 -5 3 7881.88 463.330 14 -8 -5 3 5617.53 373.765 16 -8 -5 2 5463.51 410.456 14 -8 -5 1 2276.08 310.683 14 -8 -5 0 5465.92 382.143 14 -8 -5 -1 764.029 222.477 14 -8 -5 -1 768.497 152.324 10 -8 -5 -2 3132.14 265.465 14 -8 -5 -2 2755.14 228.846 10 -8 -5 -3 5303.16 306.586 10 -8 -5 -4 6430.03 325.613 10 -8 -4 6 248.460 112.068 16 -8 -4 5 3545.66 283.076 16 -8 -4 4 289.371 159.920 16 -8 -4 3 6251.14 409.011 16 -8 -4 2 4739.02 401.932 14 -8 -4 2 3719.61 326.682 16 -8 -4 1 5836.50 419.833 14 -8 -4 1 5283.41 376.783 16 -8 -4 0 5261.27 384.849 14 -8 -4 0 4837.18 310.893 10 -8 -4 -1 2132.86 267.692 14 -8 -4 -1 1863.83 215.461 10 -8 -4 -2 1476.87 195.728 10 -8 -4 -3 234.008 138.941 10 -8 -4 -4 1063.36 165.117 10 -8 -3 6 2587.33 239.961 16 -8 -3 5 10177.8 512.044 16 -8 -3 4 7737.44 459.178 16 -8 -3 3 2041.65 263.858 16 -8 -3 2 4547.02 389.931 14 -8 -3 2 3006.62 311.056 16 -8 -3 1 819.564 265.939 14 -8 -3 1 351.280 182.081 16 -8 -3 0 585.467 253.329 14 -8 -3 0 320.409 143.421 10 -8 -3 -1 6693.83 387.100 10 -8 -3 -2 1921.52 230.673 10 -8 -3 -3 3874.94 298.683 10 -8 -3 -4 1605.60 200.877 10 -8 -3 -5 1915.12 186.239 10 -8 -2 7 2928.81 226.988 16 -8 -2 6 13800.6 601.090 16 -8 -2 5 2862.86 285.841 16 -8 -2 4 961.521 210.908 16 -8 -2 3 3535.24 330.819 16 -8 -2 2 4294.53 359.378 16 -8 -2 1 6268.68 370.187 10 -8 -2 1 6619.30 433.164 16 -8 -2 0 11718.6 539.477 10 -8 -2 0 10723.3 552.686 16 -8 -2 -1 1513.86 217.911 10 -8 -2 -2 3205.95 285.954 10 -8 -2 -3 1208.40 200.142 10 -8 -2 -4 1203.43 188.391 10 -8 -2 -5 24.7316 118.800 10 -8 -1 7 6176.55 345.210 16 -8 -1 6 1760.96 222.665 16 -8 -1 5 391.528 166.980 16 -8 -1 4 9227.36 518.426 16 -8 -1 3 1732.47 251.437 16 -8 -1 2 1008.68 212.404 16 -8 -1 1 458.246 142.997 10 -8 -1 1 276.912 170.920 16 -8 -1 0 1240.61 201.049 10 -8 -1 0 1648.98 223.348 16 -8 -1 -1 6399.44 399.907 10 -8 -1 -2 19249.0 777.183 10 -8 -1 -3 12688.7 583.762 10 -8 -1 -4 11779.4 538.327 10 -8 -1 -5 2646.55 231.563 10 -8 0 7 9041.67 435.683 16 -8 0 6 1188.47 205.048 16 -8 0 5 4444.37 341.166 16 -8 0 4 3576.51 325.470 16 -8 0 3 3316.83 320.297 16 -8 0 2 1945.70 218.288 10 -8 0 2 1781.17 248.863 16 -8 0 1 8279.91 438.947 10 -8 0 1 7590.56 458.589 16 -8 0 0 1259.36 203.633 10 -8 0 0 1194.53 213.260 16 -8 0 -1 310.722 150.645 10 -8 0 -2 1109.50 206.965 10 -8 0 -3 2842.55 270.927 10 -8 0 -4 6737.23 388.208 10 -8 0 -5 10586.4 476.636 10 -8 1 7 6154.23 344.450 16 -8 1 6 1867.87 224.802 16 -8 1 5 648.010 175.536 16 -8 1 4 8130.62 472.084 16 -8 1 3 2222.65 261.223 16 -8 1 2 1434.22 197.039 10 -8 1 2 1208.13 221.880 16 -8 1 1 331.952 138.973 10 -8 1 1 227.262 161.135 16 -8 1 0 1783.87 234.341 10 -8 1 -1 6981.41 425.839 10 -8 1 -2 21514.8 851.493 10 -8 1 -3 15108.3 652.869 10 -8 1 -4 11842.5 537.434 10 -8 1 -5 2653.31 232.426 10 -8 2 7 3444.86 246.441 16 -8 2 6 15134.8 629.974 16 -8 2 5 3169.65 282.773 16 -8 2 4 1201.99 205.601 16 -8 2 3 2986.60 286.023 16 -8 2 2 4083.37 295.199 10 -8 2 2 4331.09 332.853 16 -8 2 1 6726.87 398.124 10 -8 2 0 11614.7 562.980 10 -8 2 -1 1536.60 219.631 10 -8 2 -2 3332.92 292.912 10 -8 2 -3 1531.84 212.425 10 -8 2 -4 1286.20 188.311 10 -8 2 -5 52.9408 106.865 10 -8 3 6 1952.62 206.780 16 -8 3 5 9511.76 473.597 16 -8 3 4 7659.81 424.394 16 -8 3 3 1796.35 225.981 16 -8 3 2 3021.84 257.280 10 -8 3 2 3172.78 277.805 16 -8 3 1 424.016 150.584 10 -8 3 0 556.478 162.994 10 -8 3 -1 7324.65 427.509 10 -8 3 -2 2448.62 254.820 10 -8 3 -3 5136.70 336.681 10 -8 3 -4 2483.03 228.810 10 -8 3 -5 2483.98 198.341 10 -8 4 5 4238.05 281.810 16 -8 4 4 372.935 140.739 16 -8 4 3 5961.16 319.938 10 -8 4 3 5658.44 339.848 16 -8 4 2 4394.89 296.454 10 -8 4 1 7264.22 401.508 10 -8 4 0 3939.31 302.248 10 -8 4 -1 2123.81 237.106 10 -8 4 -2 1214.60 186.631 10 -8 4 -3 210.525 131.822 10 -8 4 -4 1728.23 185.978 10 -8 5 3 5886.63 304.734 10 -8 5 2 4639.02 291.671 10 -8 5 1 1898.67 205.914 10 -8 5 0 5375.80 339.052 10 -8 5 -1 536.417 151.633 10 -8 5 -2 3393.27 264.292 10 -8 5 -3 6461.49 348.568 10 -8 6 2 532.820 119.755 10 -8 6 1 11344.6 487.145 10 -8 6 0 4352.03 289.880 10 -8 6 -1 2608.83 225.184 10 -8 6 -2 1830.53 186.260 10 -8 6 -3 1026.42 139.409 10 -8 7 1 821.284 125.690 10 -8 7 0 1062.98 140.535 10 -8 7 -1 7365.28 347.759 10 0 0 0 0.00 0.00 0 TITL 68-3 in P2(1) REM P2(1) (#4 in standard setting) CELL 1.54184 7.009191 14.808401 13.434950 90.0000 92.7469 90.0000 ZERR 6.00 0.000175 0.000333 0.000345 0.0000 0.0023 0.0000 LATT -1 SYMM -x, y+1/2,-z SFAC C H N O UNIT 66.00 60.00 6.00 6.00 TREF HKLF 4 END ; _shelx_hkl_checksum 60486 _olex2_submission_special_instructions 'No special instructions were received' _oxdiff_exptl_absorpt_empirical_details ; Empirical correction (ABSPACK) includes: - Absorption correction using spherical harmonics - Frame scaling ; _oxdiff_exptl_absorpt_empirical_full_max 1.483 _oxdiff_exptl_absorpt_empirical_full_min 0.713 ####################################################################### # # This file contains crystal structure data downloaded from the # Cambridge Structural Database (CSD) hosted by the Cambridge # Crystallographic Data Centre (CCDC). # # Full information about CCDC data access policies and citation # guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 # # Audit and citation data items may have been added by the CCDC. # Please retain this information to preserve the provenance of # this file and to allow appropriate attribution of the data. # ####################################################################### data_78-3 _database_code_depnum_ccdc_archive 'CCDC 2105968' loop_ _audit_author_name _audit_author_address 'Shaotong Qiu Shaotong Qiu' 'South China University of Technology' _audit_update_record ; 2021-08-27 deposited with the CCDC. 2021-09-29 downloaded from the CCDC. ; _audit_creation_date 2021-06-03 _audit_creation_method ; Olex2 1.3-alpha (compiled 2020.09.11 svn.r3730fd0d for OlexSys, GUI svn.r6159) ; _shelx_SHELXL_version_number 2018/3 _chemical_name_common ? _chemical_name_systematic ? _chemical_formula_moiety 'C35 H23 Br N2 O5' _chemical_formula_sum 'C35 H23 Br N2 O5' _chemical_formula_weight 631.46 _chemical_absolute_configuration ? _chemical_melting_point ? loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 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' Br Br -0.2901 2.4595 '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' _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; _space_group_crystal_system monoclinic _space_group_IT_number 4 _space_group_name_H-M_alt 'P 1 21 1' _space_group_name_Hall 'P 2yb' loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y+1/2, -z' _cell_length_a 8.9824(12) _cell_length_b 10.3845(11) _cell_length_c 15.312(2) _cell_angle_alpha 90 _cell_angle_beta 92.079(13) _cell_angle_gamma 90 _cell_volume 1427.4(3) _cell_formula_units_Z 2 _cell_measurement_reflns_used 2931 _cell_measurement_temperature 150.00(10) _cell_measurement_theta_max 27.0510 _cell_measurement_theta_min 2.5560 _shelx_estimated_absorpt_T_max ? _shelx_estimated_absorpt_T_min ? _exptl_absorpt_coefficient_mu 1.488 _exptl_absorpt_correction_T_max 1.00000 _exptl_absorpt_correction_T_min 0.27930 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; CrysAlisPro 1.171.38.43f (Rigaku Oxford Diffraction, 2015) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. ; _exptl_absorpt_special_details ? _exptl_crystal_colour colourless _exptl_crystal_colour_primary colourless _exptl_crystal_density_diffrn 1.469 _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_description block _exptl_crystal_F_000 644 _exptl_crystal_size_max 0.14 _exptl_crystal_size_mid 0.12 _exptl_crystal_size_min 0.1 _exptl_transmission_factor_max ? _exptl_transmission_factor_min ? _diffrn_reflns_av_R_equivalents 0.0899 _diffrn_reflns_av_unetI/netI 0.1693 _diffrn_reflns_Laue_measured_fraction_full 0.993 _diffrn_reflns_Laue_measured_fraction_max 0.869 _diffrn_reflns_limit_h_max 11 _diffrn_reflns_limit_h_min -9 _diffrn_reflns_limit_k_max 13 _diffrn_reflns_limit_k_min -12 _diffrn_reflns_limit_l_max 14 _diffrn_reflns_limit_l_min -19 _diffrn_reflns_number 11864 _diffrn_reflns_point_group_measured_fraction_full 0.978 _diffrn_reflns_point_group_measured_fraction_max 0.810 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 29.541 _diffrn_reflns_theta_min 2.269 _diffrn_ambient_environment N~2~ _diffrn_ambient_temperature 150.00(10) _diffrn_detector 'CCD plate' _diffrn_detector_area_resol_mean 5.2684 _diffrn_detector_type AtlasS2 _diffrn_measured_fraction_theta_full 0.993 _diffrn_measured_fraction_theta_max 0.869 _diffrn_measurement_details ; List of Runs (angles in degrees, time in seconds): # Type Start End Width t~exp~ \w \q \k \f Frames #-------------------------------------------------------------------------- 1 \w -81.00 -46.00 1.00 7.00 -- -11.27 146.00 171.41 35 2 \w -20.00 29.00 1.00 7.00 -- -11.27 -99.00-180.00 49 3 \w -59.00 18.00 1.00 7.00 -- 11.90 -38.00 30.00 77 4 \w 27.00 82.00 1.00 7.00 -- 11.90-147.00 19.00 55 5 \w -28.00 72.00 1.00 7.00 -- 11.90 19.00 30.00 100 ; _diffrn_measurement_device 'four-circle diffractometer' _diffrn_measurement_device_type 'SuperNova, Dual, Cu at zero, AtlasS2' _diffrn_measurement_method '\w scans' _diffrn_orient_matrix_type 'CrysAlisPro convention (1999,Acta A55,543-557)' _diffrn_orient_matrix_UB_11 -0.0574480000 _diffrn_orient_matrix_UB_12 0.0022951000 _diffrn_orient_matrix_UB_13 -0.0330746000 _diffrn_orient_matrix_UB_21 0.0541979000 _diffrn_orient_matrix_UB_22 0.0058926000 _diffrn_orient_matrix_UB_23 -0.0322319000 _diffrn_orient_matrix_UB_31 0.0027653000 _diffrn_orient_matrix_UB_32 -0.0680108000 _diffrn_orient_matrix_UB_33 -0.0039196000 _diffrn_radiation_monochromator mirror _diffrn_radiation_probe x-ray _diffrn_radiation_type 'Mo K\a' _diffrn_radiation_wavelength 0.71073 _diffrn_source 'micro-focus sealed X-ray tube' _diffrn_source_type 'SuperNova (Mo) X-ray Source' _reflns_Friedel_coverage 0.772 _reflns_Friedel_fraction_full 0.961 _reflns_Friedel_fraction_max 0.745 _reflns_number_gt 4097 _reflns_number_total 6468 _reflns_odcompleteness_completeness 99.26 _reflns_odcompleteness_iscentric 1 _reflns_odcompleteness_theta 26.32 _reflns_special_details ; Reflections were merged by SHELXL according to the crystal class for the calculation of statistics and refinement. _reflns_Friedel_fraction is defined as the number of unique Friedel pairs measured divided by the number that would be possible theoretically, ignoring centric projections and systematic absences. ; _reflns_threshold_expression 'I > 2\s(I)' _computing_cell_refinement 'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)' _computing_data_collection 'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)' _computing_data_reduction 'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)' _computing_molecular_graphics 'Olex2 1.3-alpha (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 1.3-alpha (Dolomanov et al., 2009)' _computing_structure_refinement 'SHELXL 2018/3 (Sheldrick, 2015)' _computing_structure_solution 'SHELXT (Sheldrick, 2015)' _refine_diff_density_max 1.437 _refine_diff_density_min -1.309 _refine_diff_density_rms 0.130 _refine_ls_abs_structure_details ; Flack x determined using 1087 quotients [(I+)-(I-)]/[(I+)+(I-)] (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259). ; _refine_ls_abs_structure_Flack 0.004(14) _refine_ls_extinction_coef . _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.037 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 400 _refine_ls_number_reflns 6468 _refine_ls_number_restraints 47 _refine_ls_R_factor_all 0.1301 _refine_ls_R_factor_gt 0.0849 _refine_ls_restrained_S_all 1.046 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0864P)^2^] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1807 _refine_ls_wR_factor_ref 0.2153 _refine_special_details ? _olex2_refinement_description ; 1. Fixed Uiso At 1.2 times of: All C(H) groups At 1.5 times of: All C(H,H,H) groups 2. Rigid bond restraints C28, C29, C30, Br1 with sigma for 1-2 distances of 0.002 and sigma for 1-3 distances of 0.002 3. Uiso/Uaniso restraints and constraints Br1 \\sim C29 \\sim C28 \\sim C30: within 2A with sigma of 0.002 and sigma for terminal atoms of 0.004 within 2A Uanis(Br1) \\sim Ueq, Uanis(C29) \\sim Ueq: with sigma of 0.002 and sigma for terminal atoms of 0.004 Uanis(Br2) \\sim Ueq, Uanis(C29) \\sim Ueq: with sigma of 0.002 and sigma for terminal atoms of 0.004 Uanis(Br1) \\sim Ueq: with sigma of 0.002 and sigma for terminal atoms of 0.004 4. Rigid body (RIGU) restrains Br1, C29 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002 Br2, C29 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002 5. Others Sof(Br2)=1-FVAR(1) Sof(Br1)=FVAR(1) 6.a Aromatic/amide H refined with riding coordinates: C2(H2), C4(H4), C6(H6), C11(H11), C12(H12), C15(H15), C16(H16), C17(H17), C18(H18), C21(H21), C22(H22), C23(H23), C24(H24), C27(H27), C28(H28), C30(H30), C31(H31) 6.b Idealised Me refined as rotating group: C32(H32A,H32B,H32C), C35(H35A,H35B,H35C) ; _atom_sites_solution_hydrogens geom _atom_sites_solution_primary dual _atom_sites_solution_secondary ? loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group Br1 Br 1.12155(18) 0.6756(3) 0.04755(9) 0.0207(4) Uani 0.311(5) 1 d . U P A 1 Br2 Br 1.11915(10) 0.67539(13) 0.04620(7) 0.0430(3) Uani 0.689(5) 1 d . U P A 2 O1 O 0.9582(5) 0.2517(4) 0.5842(3) 0.0365(13) Uani 1 1 d . . . . . O2 O 0.9544(6) 0.0463(4) 0.5407(3) 0.0384(13) Uani 1 1 d . . . . . O3 O 0.6867(5) 0.5799(3) 0.4360(2) 0.0275(11) Uani 1 1 d . . . . . O4 O 0.7535(6) -0.0399(4) 0.2303(3) 0.0395(13) Uani 1 1 d . . . . . O5 O 0.6253(5) 0.1218(3) 0.1662(3) 0.0345(12) Uani 1 1 d . . . . . N1 N 0.4291(6) 0.4200(4) 0.1005(3) 0.0260(13) Uani 1 1 d . . . . . N2 N 0.5165(5) 0.4936(4) 0.1592(3) 0.0207(12) Uani 1 1 d . . . . . C1 C 0.6993(7) 0.3706(5) 0.3712(4) 0.0231(14) Uani 1 1 d . . . . . C2 C 0.7818(7) 0.3282(5) 0.4441(4) 0.0240(14) Uani 1 1 d . . . . . H2 H 0.798266 0.383758 0.491064 0.029 Uiso 1 1 calc R U . . . C3 C 0.8403(6) 0.2042(5) 0.4481(3) 0.0259(16) Uani 1 1 d . . . . . C4 C 0.8184(7) 0.1215(5) 0.3783(4) 0.0268(15) Uani 1 1 d . . . . . H4 H 0.859963 0.039495 0.380213 0.032 Uiso 1 1 calc R U . . . C5 C 0.7341(6) 0.1606(5) 0.3049(3) 0.0249(14) Uani 1 1 d . . . . . C6 C 0.6735(7) 0.2845(5) 0.3016(4) 0.0235(14) Uani 1 1 d . . . . . H6 H 0.615764 0.310079 0.253035 0.028 Uiso 1 1 calc R U . . . C7 C 0.6349(7) 0.4991(5) 0.3687(3) 0.0214(14) Uani 1 1 d . . . . . C8 C 0.5365(7) 0.5636(5) 0.3151(3) 0.0209(14) Uani 1 1 d . . . . . C9 C 0.5194(6) 0.6912(5) 0.3516(3) 0.0222(13) Uani 1 1 d . . . . . C10 C 0.6157(6) 0.6948(5) 0.4234(3) 0.0210(13) Uani 1 1 d . . . . . C11 C 0.6414(7) 0.8054(5) 0.4753(4) 0.0295(16) Uani 1 1 d . . . . . H11 H 0.707841 0.803590 0.523286 0.035 Uiso 1 1 calc R U . . . C12 C 0.5673(7) 0.9128(5) 0.4535(4) 0.0289(16) Uani 1 1 d . . . . . H12 H 0.581931 0.986464 0.487295 0.035 Uiso 1 1 calc R U . . . C13 C 0.4654(7) 0.9173(5) 0.3788(4) 0.0290(16) Uani 1 1 d . . . . . C14 C 0.4397(6) 0.8057(5) 0.3256(4) 0.0210(14) Uani 1 1 d . . . . . C15 C 0.3429(8) 0.8125(5) 0.2529(4) 0.0326(16) Uani 1 1 d . . . . . H15 H 0.327094 0.739904 0.218226 0.039 Uiso 1 1 calc R U . . . C16 C 0.2705(8) 0.9249(6) 0.2319(5) 0.044(2) Uani 1 1 d . . . . . H16 H 0.204378 0.927086 0.183796 0.053 Uiso 1 1 calc R U . . . C17 C 0.2943(9) 1.0359(6) 0.2813(4) 0.043(2) Uani 1 1 d . . . . . H17 H 0.246252 1.112239 0.265525 0.051 Uiso 1 1 calc R U . . . C18 C 0.3885(8) 1.0318(5) 0.3531(4) 0.0393(19) Uani 1 1 d . . . . . H18 H 0.403016 1.106136 0.386191 0.047 Uiso 1 1 calc R U . . . C19 C 0.4578(7) 0.5074(5) 0.2393(3) 0.0223(14) Uani 1 1 d . . . . . C20 C 0.3227(7) 0.4411(5) 0.2334(3) 0.0220(14) Uani 1 1 d . . . . . C21 C 0.2068(7) 0.4202(5) 0.2915(4) 0.0239(14) Uani 1 1 d . . . . . H21 H 0.212500 0.454152 0.347758 0.029 Uiso 1 1 calc R U . . . C22 C 0.0851(7) 0.3487(6) 0.2635(4) 0.0330(16) Uani 1 1 d . . . . . H22 H 0.007796 0.334707 0.301180 0.040 Uiso 1 1 calc R U . . . C23 C 0.0761(8) 0.2956(6) 0.1771(4) 0.0348(18) Uani 1 1 d . . . . . H23 H -0.007409 0.248140 0.159351 0.042 Uiso 1 1 calc R U . . . C24 C 0.1869(7) 0.3134(5) 0.1208(4) 0.0329(17) Uani 1 1 d . . . . . H24 H 0.181315 0.276780 0.065316 0.039 Uiso 1 1 calc R U . . . C25 C 0.3127(6) 0.3895(5) 0.1480(4) 0.0220(14) Uani 1 1 d . . . . . C26 C 0.6540(7) 0.5396(5) 0.1297(4) 0.0263(15) Uani 1 1 d . . . . . C27 C 0.7410(7) 0.4627(5) 0.0790(4) 0.0277(15) Uani 1 1 d . . . . . H27 H 0.705222 0.381917 0.062535 0.033 Uiso 1 1 calc R U . . . C28 C 0.8773(7) 0.5001(5) 0.0519(4) 0.0237(7) Uani 1 1 d . U . . . H28 H 0.933439 0.447336 0.016656 0.028 Uiso 1 1 calc R U . . . C29 C 0.9311(7) 0.6253(5) 0.0803(4) 0.0235(5) Uani 1 1 d . U . . . C30 C 0.8407(6) 0.7049(4) 0.1276(3) 0.0226(7) Uani 1 1 d . U . . . H30 H 0.873393 0.787548 0.141788 0.027 Uiso 1 1 calc R U . . . C31 C 0.7036(6) 0.6649(6) 0.1540(3) 0.0278(14) Uani 1 1 d . . . . . H31 H 0.644769 0.718599 0.187001 0.033 Uiso 1 1 calc R U . . . C32 C 1.0264(7) 0.2169(6) 0.6679(4) 0.0341(18) Uani 1 1 d . . . . . H32A H 1.106700 0.157852 0.659300 0.051 Uiso 1 1 calc R U . . . H32B H 0.953445 0.176988 0.703384 0.051 Uiso 1 1 calc R U . . . H32C H 1.064231 0.292930 0.696735 0.051 Uiso 1 1 calc R U . . . C33 C 0.9233(6) 0.1564(5) 0.5276(3) 0.0256(14) Uani 1 1 d . . . . . C34 C 0.7074(8) 0.0697(5) 0.2314(4) 0.0291(16) Uani 1 1 d . . . . . C35 C 0.5864(9) 0.0384(6) 0.0918(4) 0.042(2) Uani 1 1 d . . . . . H35A H 0.546954 0.089704 0.044185 0.063 Uiso 1 1 calc R U . . . H35B H 0.512859 -0.023136 0.108466 0.063 Uiso 1 1 calc R U . . . H35C H 0.673782 -0.006179 0.073815 0.063 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 Br1 0.0209(6) 0.0303(7) 0.0106(7) 0.0042(7) -0.0033(6) 0.0041(7) Br2 0.0214(4) 0.0308(4) 0.0772(6) 0.0060(5) 0.0069(4) -0.0013(5) O1 0.045(3) 0.038(2) 0.025(2) 0.0000(17) -0.020(2) 0.003(2) O2 0.050(3) 0.028(2) 0.036(2) 0.0065(17) -0.008(2) 0.009(2) O3 0.033(3) 0.0230(17) 0.026(2) -0.0046(15) -0.0094(19) -0.0042(18) O4 0.051(3) 0.0194(17) 0.048(3) -0.0072(17) -0.003(2) 0.013(2) O5 0.038(3) 0.0289(19) 0.036(2) -0.0070(17) -0.011(2) 0.0007(19) N1 0.021(3) 0.031(2) 0.026(2) -0.0050(19) -0.006(2) -0.004(2) N2 0.020(3) 0.019(2) 0.024(2) 0.0043(17) -0.003(2) -0.0004(19) C1 0.020(3) 0.016(2) 0.033(3) -0.003(2) 0.000(3) 0.000(2) C2 0.020(3) 0.028(3) 0.023(3) -0.003(2) -0.003(2) 0.003(2) C3 0.018(3) 0.037(4) 0.022(3) 0.000(2) -0.005(2) 0.006(2) C4 0.026(3) 0.029(3) 0.027(3) 0.003(2) 0.010(3) 0.006(2) C5 0.026(3) 0.021(2) 0.028(3) 0.006(2) -0.005(2) -0.002(3) C6 0.022(3) 0.021(2) 0.027(3) -0.004(2) -0.010(3) 0.000(2) C7 0.027(3) 0.016(2) 0.021(3) 0.0011(19) -0.005(3) -0.001(2) C8 0.021(3) 0.026(3) 0.015(2) -0.004(2) 0.001(2) -0.002(2) C9 0.027(3) 0.017(2) 0.023(2) 0.000(2) 0.006(2) -0.001(2) C10 0.020(3) 0.014(2) 0.029(3) 0.0000(19) 0.003(2) -0.002(2) C11 0.025(3) 0.034(3) 0.029(3) -0.001(2) -0.001(3) -0.001(3) C12 0.036(4) 0.021(2) 0.030(3) -0.007(2) 0.006(3) 0.004(3) C13 0.032(3) 0.031(3) 0.025(3) -0.001(2) 0.011(3) -0.004(3) C14 0.018(3) 0.014(2) 0.030(3) -0.0046(19) -0.009(3) -0.004(2) C15 0.034(4) 0.023(3) 0.041(3) -0.004(2) 0.009(3) 0.011(3) C16 0.039(4) 0.035(3) 0.058(4) 0.007(3) 0.005(4) 0.020(3) C17 0.054(5) 0.026(3) 0.049(4) 0.005(3) -0.001(4) 0.016(3) C18 0.051(4) 0.013(2) 0.056(4) 0.002(2) 0.019(3) 0.007(3) C19 0.028(3) 0.018(2) 0.020(3) -0.0007(19) -0.003(2) -0.003(2) C20 0.020(3) 0.030(3) 0.016(3) 0.005(2) -0.005(2) 0.003(2) C21 0.018(3) 0.028(3) 0.026(3) 0.005(2) -0.002(2) 0.002(2) C22 0.019(3) 0.034(3) 0.046(3) 0.011(3) 0.004(3) 0.001(3) C23 0.030(4) 0.031(3) 0.043(4) 0.002(3) -0.002(3) -0.006(3) C24 0.025(3) 0.030(3) 0.042(3) 0.009(2) -0.013(3) -0.002(3) C25 0.017(3) 0.018(2) 0.031(3) 0.002(2) 0.000(3) -0.001(2) C26 0.024(3) 0.026(3) 0.028(3) 0.004(2) -0.010(3) 0.001(2) C27 0.023(3) 0.021(2) 0.039(3) -0.005(2) -0.003(3) 0.005(2) C28 0.0230(13) 0.0207(10) 0.0274(14) 0.0012(10) -0.0010(14) 0.0068(10) C29 0.0221(8) 0.0233(8) 0.0251(9) 0.0013(8) -0.0012(8) 0.0064(7) C30 0.0221(12) 0.0216(12) 0.0240(13) 0.0008(10) -0.0016(10) 0.0066(11) C31 0.034(3) 0.022(2) 0.028(3) 0.006(2) 0.002(2) -0.005(3) C32 0.029(4) 0.049(4) 0.025(3) -0.001(2) 0.001(3) 0.004(3) C33 0.029(3) 0.023(3) 0.025(3) 0.002(2) -0.003(2) 0.008(2) C34 0.033(4) 0.031(3) 0.023(3) 0.005(2) 0.000(3) 0.002(3) C35 0.046(5) 0.047(3) 0.034(3) -0.017(3) -0.004(3) -0.009(3) _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 C29 1.874(6) . ? Br2 C29 1.860(6) . ? O1 C32 1.447(7) . ? O1 C33 1.345(6) . ? O2 C33 1.192(6) . ? O3 C7 1.396(6) . ? O3 C10 1.363(6) . ? O4 C34 1.211(7) . ? O5 C34 1.334(7) . ? O5 C35 1.464(7) . ? N1 N2 1.398(6) . ? N1 C25 1.334(7) . ? N2 C19 1.361(7) . ? N2 C26 1.414(8) . ? C1 C2 1.389(8) . ? C1 C6 1.403(7) . ? C1 C7 1.454(7) . ? C2 H2 0.9300 . ? C2 C3 1.391(8) . ? C3 C4 1.380(8) . ? C3 C33 1.490(7) . ? C4 H4 0.9300 . ? C4 C5 1.392(8) . ? C5 C6 1.397(7) . ? C5 C34 1.482(8) . ? C6 H6 0.9300 . ? C7 C8 1.360(8) . ? C8 C9 1.448(7) . ? C8 C19 1.459(7) . ? C9 C10 1.375(7) . ? C9 C14 1.437(7) . ? C10 C11 1.411(7) . ? C11 H11 0.9300 . ? C11 C12 1.335(8) . ? C12 H12 0.9300 . ? C12 C13 1.439(8) . ? C13 C14 1.431(7) . ? C13 C18 1.424(8) . ? C14 C15 1.389(8) . ? C15 H15 0.9300 . ? C15 C16 1.369(9) . ? C16 H16 0.9300 . ? C16 C17 1.391(9) . ? C17 H17 0.9300 . ? C17 C18 1.363(10) . ? C18 H18 0.9300 . ? C19 C20 1.395(8) . ? C20 C21 1.411(8) . ? C20 C25 1.413(8) . ? C21 H21 0.9300 . ? C21 C22 1.377(8) . ? C22 H22 0.9300 . ? C22 C23 1.434(9) . ? C23 H23 0.9300 . ? C23 C24 1.353(9) . ? C24 H24 0.9300 . ? C24 C25 1.428(8) . ? C26 C27 1.376(8) . ? C26 C31 1.421(8) . ? C27 H27 0.9300 . ? C27 C28 1.364(9) . ? C28 H28 0.9300 . ? C28 C29 1.449(7) . ? C29 C30 1.381(8) . ? C30 H30 0.9300 . ? C30 C31 1.375(8) . ? C31 H31 0.9300 . ? C32 H32A 0.9600 . ? C32 H32B 0.9600 . ? C32 H32C 0.9600 . ? C35 H35A 0.9600 . ? C35 H35B 0.9600 . ? C35 H35C 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 C33 O1 C32 117.9(4) . . ? C10 O3 C7 106.3(4) . . ? C34 O5 C35 116.9(5) . . ? C25 N1 N2 102.2(4) . . ? N1 N2 C26 117.1(4) . . ? C19 N2 N1 114.2(5) . . ? C19 N2 C26 128.6(5) . . ? C2 C1 C6 118.5(5) . . ? C2 C1 C7 120.8(5) . . ? C6 C1 C7 120.7(5) . . ? C1 C2 H2 119.4 . . ? C1 C2 C3 121.2(5) . . ? C3 C2 H2 119.4 . . ? C2 C3 C33 121.4(5) . . ? C4 C3 C2 119.9(5) . . ? C4 C3 C33 118.6(5) . . ? C3 C4 H4 119.9 . . ? C3 C4 C5 120.1(5) . . ? C5 C4 H4 119.9 . . ? C4 C5 C6 119.8(5) . . ? C4 C5 C34 119.7(5) . . ? C6 C5 C34 120.5(5) . . ? C1 C6 H6 119.8 . . ? C5 C6 C1 120.4(5) . . ? C5 C6 H6 119.8 . . ? O3 C7 C1 114.3(5) . . ? C8 C7 O3 109.9(4) . . ? C8 C7 C1 135.8(5) . . ? C7 C8 C9 107.1(4) . . ? C7 C8 C19 124.6(5) . . ? C9 C8 C19 128.1(5) . . ? C10 C9 C8 105.1(4) . . ? C10 C9 C14 119.5(5) . . ? C14 C9 C8 135.1(5) . . ? O3 C10 C9 111.5(4) . . ? O3 C10 C11 124.5(5) . . ? C9 C10 C11 123.9(5) . . ? C10 C11 H11 121.0 . . ? C12 C11 C10 118.0(6) . . ? C12 C11 H11 121.0 . . ? C11 C12 H12 119.2 . . ? C11 C12 C13 121.5(5) . . ? C13 C12 H12 119.2 . . ? C14 C13 C12 120.8(5) . . ? C18 C13 C12 122.4(5) . . ? C18 C13 C14 116.9(5) . . ? C13 C14 C9 116.3(5) . . ? C15 C14 C9 123.7(5) . . ? C15 C14 C13 119.9(5) . . ? C14 C15 H15 119.7 . . ? C16 C15 C14 120.6(6) . . ? C16 C15 H15 119.7 . . ? C15 C16 H16 119.4 . . ? C15 C16 C17 121.1(7) . . ? C17 C16 H16 119.4 . . ? C16 C17 H17 120.3 . . ? C18 C17 C16 119.4(6) . . ? C18 C17 H17 120.3 . . ? C13 C18 H18 119.0 . . ? C17 C18 C13 122.0(6) . . ? C17 C18 H18 119.0 . . ? N2 C19 C8 124.6(5) . . ? N2 C19 C20 104.7(5) . . ? C20 C19 C8 130.1(5) . . ? C19 C20 C21 134.0(5) . . ? C19 C20 C25 105.9(5) . . ? C21 C20 C25 120.1(5) . . ? C20 C21 H21 120.6 . . ? C22 C21 C20 118.8(5) . . ? C22 C21 H21 120.6 . . ? C21 C22 H22 119.6 . . ? C21 C22 C23 120.8(6) . . ? C23 C22 H22 119.6 . . ? C22 C23 H23 119.4 . . ? C24 C23 C22 121.2(6) . . ? C24 C23 H23 119.4 . . ? C23 C24 H24 120.6 . . ? C23 C24 C25 118.8(6) . . ? C25 C24 H24 120.6 . . ? N1 C25 C20 112.9(5) . . ? N1 C25 C24 126.8(5) . . ? C20 C25 C24 120.2(5) . . ? N2 C26 C31 119.7(5) . . ? C27 C26 N2 120.3(5) . . ? C27 C26 C31 120.0(6) . . ? C26 C27 H27 118.6 . . ? C28 C27 C26 122.8(5) . . ? C28 C27 H27 118.6 . . ? C27 C28 H28 121.4 . . ? C27 C28 C29 117.2(5) . . ? C29 C28 H28 121.4 . . ? C28 C29 Br1 117.9(4) . . ? C28 C29 Br2 117.6(4) . . ? C30 C29 Br1 122.2(4) . . ? C30 C29 Br2 122.5(4) . . ? C30 C29 C28 119.9(5) . . ? C29 C30 H30 119.2 . . ? C31 C30 C29 121.6(5) . . ? C31 C30 H30 119.2 . . ? C26 C31 H31 120.8 . . ? C30 C31 C26 118.4(5) . . ? C30 C31 H31 120.8 . . ? O1 C32 H32A 109.5 . . ? O1 C32 H32B 109.5 . . ? O1 C32 H32C 109.5 . . ? H32A C32 H32B 109.5 . . ? H32A C32 H32C 109.5 . . ? H32B C32 H32C 109.5 . . ? O1 C33 C3 112.3(4) . . ? O2 C33 O1 123.4(5) . . ? O2 C33 C3 124.3(5) . . ? O4 C34 O5 123.4(5) . . ? O4 C34 C5 124.3(5) . . ? O5 C34 C5 112.3(5) . . ? O5 C35 H35A 109.5 . . ? O5 C35 H35B 109.5 . . ? O5 C35 H35C 109.5 . . ? H35A C35 H35B 109.5 . . ? H35A C35 H35C 109.5 . . ? H35B C35 H35C 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 Br1 C29 C30 C31 -177.5(4) . . . . ? Br2 C29 C30 C31 -178.4(4) . . . . ? O3 C7 C8 C9 -2.3(6) . . . . ? O3 C7 C8 C19 -178.3(5) . . . . ? O3 C10 C11 C12 177.7(5) . . . . ? N1 N2 C19 C8 170.9(5) . . . . ? N1 N2 C19 C20 -0.9(6) . . . . ? N1 N2 C26 C27 -39.5(7) . . . . ? N1 N2 C26 C31 141.6(5) . . . . ? N2 N1 C25 C20 0.3(6) . . . . ? N2 N1 C25 C24 -179.6(5) . . . . ? N2 C19 C20 C21 -178.3(6) . . . . ? N2 C19 C20 C25 1.1(6) . . . . ? N2 C26 C27 C28 -177.1(5) . . . . ? N2 C26 C31 C30 177.2(5) . . . . ? C1 C2 C3 C4 0.9(9) . . . . ? C1 C2 C3 C33 -177.3(5) . . . . ? C1 C7 C8 C9 179.3(6) . . . . ? C1 C7 C8 C19 3.3(11) . . . . ? C2 C1 C6 C5 -2.1(9) . . . . ? C2 C1 C7 O3 11.6(8) . . . . ? C2 C1 C7 C8 -170.0(7) . . . . ? C2 C3 C4 C5 -1.9(9) . . . . ? C2 C3 C33 O1 -12.1(8) . . . . ? C2 C3 C33 O2 167.1(6) . . . . ? C3 C4 C5 C6 0.9(9) . . . . ? C3 C4 C5 C34 -178.2(6) . . . . ? C4 C3 C33 O1 169.6(5) . . . . ? C4 C3 C33 O2 -11.2(9) . . . . ? C4 C5 C6 C1 1.1(9) . . . . ? C4 C5 C34 O4 0.6(9) . . . . ? C4 C5 C34 O5 -179.8(5) . . . . ? C6 C1 C2 C3 1.1(9) . . . . ? C6 C1 C7 O3 -171.4(5) . . . . ? C6 C1 C7 C8 7.0(11) . . . . ? C6 C5 C34 O4 -178.4(6) . . . . ? C6 C5 C34 O5 1.1(8) . . . . ? C7 O3 C10 C9 0.7(6) . . . . ? C7 O3 C10 C11 -177.1(5) . . . . ? C7 C1 C2 C3 178.2(6) . . . . ? C7 C1 C6 C5 -179.2(5) . . . . ? C7 C8 C9 C10 2.6(6) . . . . ? C7 C8 C9 C14 176.6(6) . . . . ? C7 C8 C19 N2 -82.0(7) . . . . ? C7 C8 C19 C20 87.6(8) . . . . ? C8 C9 C10 O3 -2.0(6) . . . . ? C8 C9 C10 C11 175.8(5) . . . . ? C8 C9 C14 C13 -174.3(6) . . . . ? C8 C9 C14 C15 5.1(10) . . . . ? C8 C19 C20 C21 10.5(11) . . . . ? C8 C19 C20 C25 -170.1(5) . . . . ? C9 C8 C19 N2 102.8(7) . . . . ? C9 C8 C19 C20 -87.5(8) . . . . ? C9 C10 C11 C12 0.2(9) . . . . ? C9 C14 C15 C16 -180.0(6) . . . . ? C10 O3 C7 C1 179.8(5) . . . . ? C10 O3 C7 C8 1.1(6) . . . . ? C10 C9 C14 C13 -1.0(8) . . . . ? C10 C9 C14 C15 178.4(6) . . . . ? C10 C11 C12 C13 -0.7(9) . . . . ? C11 C12 C13 C14 0.3(9) . . . . ? C11 C12 C13 C18 -178.2(6) . . . . ? C12 C13 C14 C9 0.6(8) . . . . ? C12 C13 C14 C15 -178.9(6) . . . . ? C12 C13 C18 C17 178.8(6) . . . . ? C13 C14 C15 C16 -0.6(10) . . . . ? C14 C9 C10 O3 -177.1(5) . . . . ? C14 C9 C10 C11 0.7(8) . . . . ? C14 C13 C18 C17 0.1(10) . . . . ? C14 C15 C16 C17 1.5(11) . . . . ? C15 C16 C17 C18 -1.6(11) . . . . ? C16 C17 C18 C13 0.7(11) . . . . ? C18 C13 C14 C9 179.2(5) . . . . ? C18 C13 C14 C15 -0.2(9) . . . . ? C19 N2 C26 C27 138.0(6) . . . . ? C19 N2 C26 C31 -40.8(8) . . . . ? C19 C8 C9 C10 178.5(6) . . . . ? C19 C8 C9 C14 -7.6(11) . . . . ? C19 C20 C21 C22 179.5(6) . . . . ? C19 C20 C25 N1 -0.9(6) . . . . ? C19 C20 C25 C24 179.0(5) . . . . ? C20 C21 C22 C23 0.3(8) . . . . ? C21 C20 C25 N1 178.6(5) . . . . ? C21 C20 C25 C24 -1.5(8) . . . . ? C21 C22 C23 C24 0.4(9) . . . . ? C22 C23 C24 C25 -1.7(9) . . . . ? C23 C24 C25 N1 -177.9(5) . . . . ? C23 C24 C25 C20 2.2(8) . . . . ? C25 N1 N2 C19 0.4(6) . . . . ? C25 N1 N2 C26 178.3(4) . . . . ? C25 C20 C21 C22 0.2(8) . . . . ? C26 N2 C19 C8 -6.8(8) . . . . ? C26 N2 C19 C20 -178.6(5) . . . . ? C26 C27 C28 C29 1.3(9) . . . . ? C27 C26 C31 C30 -1.6(8) . . . . ? C27 C28 C29 Br1 177.6(4) . . . . ? C27 C28 C29 Br2 178.4(4) . . . . ? C27 C28 C29 C30 -4.5(8) . . . . ? C28 C29 C30 C31 4.7(8) . . . . ? C29 C30 C31 C26 -1.6(8) . . . . ? C31 C26 C27 C28 1.7(9) . . . . ? C32 O1 C33 O2 -5.0(9) . . . . ? C32 O1 C33 C3 174.2(5) . . . . ? C33 C3 C4 C5 176.4(5) . . . . ? C34 C5 C6 C1 -179.8(5) . . . . ? C35 O5 C34 O4 2.3(9) . . . . ? C35 O5 C34 C5 -177.3(5) . . . . ? _shelx_res_file ; TITL 78-3_a.res in P2(1) 78-3.res created by SHELXL-2018/3 at 15:39:09 on 03-Jun-2021 REM Old TITL 78-3 in P2(1) REM SHELXT solution in P2(1): R1 0.166, Rweak 0.070, Alpha 0.007 REM 0.480 for 5 systematic absences, Orientation as input REM Flack x = 0.008 ( 0.023 ) from 725 Parsons' quotients REM Formula found by SHELXT: C34 N5 O3 Br CELL 0.71073 8.982414 10.384544 15.312273 90 92.0793 90 ZERR 2 0.001198 0.001123 0.002171 0 0.0133 0 LATT -1 SYMM -X,0.5+Y,-Z SFAC C H Br N O UNIT 70 46 2 4 10 RIGU 0.001 0.002 Br1 C29 RIGU 0.001 0.002 Br2 C29 ISOR 0.002 0.004 Br1 C29 ISOR 0.002 0.004 Br2 C29 ISOR 0.002 0.004 Br1 DELU 0.002 0.002 C28 C29 C30 Br1 SIMU 0.002 0.004 2 Br1 C29 C28 C30 L.S. 20 PLAN 5 CONF BOND list 4 fmap 2 acta MORE -1 BOND $H REM REM REM WGHT 0.086400 FVAR 4.29435 0.31117 PART 1 BR1 3 1.121552 0.675611 0.047551 21.00000 0.02095 0.03031 = 0.01056 0.00418 -0.00328 0.00409 PART 2 BR2 3 1.119150 0.675388 0.046200 -21.00000 0.02143 0.03077 = 0.07720 0.00596 0.00689 -0.00127 PART 0 O1 5 0.958182 0.251733 0.584165 11.00000 0.04483 0.03795 = 0.02510 -0.00003 -0.02015 0.00276 O2 5 0.954388 0.046274 0.540655 11.00000 0.05030 0.02837 = 0.03590 0.00647 -0.00832 0.00947 O3 5 0.686676 0.579938 0.436036 11.00000 0.03293 0.02301 = 0.02592 -0.00461 -0.00944 -0.00420 O4 5 0.753513 -0.039868 0.230283 11.00000 0.05074 0.01937 = 0.04813 -0.00718 -0.00349 0.01318 O5 5 0.625299 0.121798 0.166217 11.00000 0.03809 0.02889 = 0.03573 -0.00696 -0.01095 0.00069 N1 4 0.429142 0.420035 0.100474 11.00000 0.02065 0.03129 = 0.02555 -0.00504 -0.00607 -0.00408 N2 4 0.516470 0.493574 0.159165 11.00000 0.01972 0.01856 = 0.02354 0.00432 -0.00281 -0.00037 C1 1 0.699251 0.370571 0.371160 11.00000 0.02047 0.01618 = 0.03258 -0.00342 -0.00037 -0.00007 C2 1 0.781795 0.328204 0.444065 11.00000 0.02049 0.02816 = 0.02317 -0.00285 -0.00298 0.00281 AFIX 43 H2 2 0.798266 0.383758 0.491064 11.00000 -1.20000 AFIX 0 C3 1 0.840275 0.204227 0.448080 11.00000 0.01754 0.03736 = 0.02246 0.00020 -0.00477 0.00637 C4 1 0.818354 0.121496 0.378261 11.00000 0.02574 0.02856 = 0.02661 0.00327 0.00956 0.00583 AFIX 43 H4 2 0.859963 0.039495 0.380213 11.00000 -1.20000 AFIX 0 C5 1 0.734061 0.160598 0.304922 11.00000 0.02566 0.02086 = 0.02778 0.00627 -0.00516 -0.00231 C6 1 0.673495 0.284504 0.301620 11.00000 0.02176 0.02074 = 0.02704 -0.00375 -0.01030 -0.00038 AFIX 43 H6 2 0.615764 0.310079 0.253035 11.00000 -1.20000 AFIX 0 C7 1 0.634914 0.499053 0.368707 11.00000 0.02654 0.01615 = 0.02100 0.00105 -0.00544 -0.00065 C8 1 0.536529 0.563581 0.315124 11.00000 0.02095 0.02646 = 0.01515 -0.00413 0.00060 -0.00151 C9 1 0.519445 0.691162 0.351605 11.00000 0.02656 0.01688 = 0.02346 -0.00002 0.00552 -0.00073 C10 1 0.615745 0.694778 0.423421 11.00000 0.02009 0.01410 = 0.02901 0.00003 0.00325 -0.00244 C11 1 0.641356 0.805439 0.475307 11.00000 0.02511 0.03410 = 0.02899 -0.00116 -0.00127 -0.00101 AFIX 43 H11 2 0.707841 0.803590 0.523286 11.00000 -1.20000 AFIX 0 C12 1 0.567326 0.912841 0.453479 11.00000 0.03557 0.02133 = 0.03031 -0.00665 0.00637 0.00421 AFIX 43 H12 2 0.581931 0.986464 0.487295 11.00000 -1.20000 AFIX 0 C13 1 0.465444 0.917316 0.378826 11.00000 0.03180 0.03076 = 0.02532 -0.00074 0.01104 -0.00400 C14 1 0.439663 0.805701 0.325600 11.00000 0.01812 0.01447 = 0.02958 -0.00457 -0.00869 -0.00425 C15 1 0.342899 0.812455 0.252943 11.00000 0.03440 0.02305 = 0.04096 -0.00403 0.00893 0.01085 AFIX 43 H15 2 0.327094 0.739904 0.218226 11.00000 -1.20000 AFIX 0 C16 1 0.270533 0.924896 0.231921 11.00000 0.03880 0.03513 = 0.05808 0.00723 0.00520 0.01978 AFIX 43 H16 2 0.204378 0.927086 0.183796 11.00000 -1.20000 AFIX 0 C17 1 0.294259 1.035923 0.281311 11.00000 0.05417 0.02569 = 0.04861 0.00526 -0.00093 0.01634 AFIX 43 H17 2 0.246252 1.112239 0.265525 11.00000 -1.20000 AFIX 0 C18 1 0.388506 1.031842 0.353052 11.00000 0.05051 0.01297 = 0.05569 0.00171 0.01866 0.00731 AFIX 43 H18 2 0.403016 1.106136 0.386191 11.00000 -1.20000 AFIX 0 C19 1 0.457778 0.507397 0.239344 11.00000 0.02845 0.01802 = 0.02004 -0.00073 -0.00272 -0.00342 C20 1 0.322744 0.441125 0.233406 11.00000 0.01974 0.02984 = 0.01589 0.00518 -0.00530 0.00328 C21 1 0.206815 0.420230 0.291526 11.00000 0.01796 0.02787 = 0.02574 0.00507 -0.00192 0.00229 AFIX 43 H21 2 0.212500 0.454152 0.347758 11.00000 -1.20000 AFIX 0 C22 1 0.085113 0.348737 0.263533 11.00000 0.01909 0.03411 = 0.04616 0.01110 0.00435 0.00120 AFIX 43 H22 2 0.007796 0.334707 0.301180 11.00000 -1.20000 AFIX 0 C23 1 0.076107 0.295650 0.177055 11.00000 0.03003 0.03098 = 0.04312 0.00198 -0.00160 -0.00607 AFIX 43 H23 2 -0.007409 0.248140 0.159351 11.00000 -1.20000 AFIX 0 C24 1 0.186922 0.313434 0.120753 11.00000 0.02538 0.03046 = 0.04175 0.00935 -0.01319 -0.00224 AFIX 43 H24 2 0.181315 0.276780 0.065316 11.00000 -1.20000 AFIX 0 C25 1 0.312689 0.389527 0.147998 11.00000 0.01695 0.01818 = 0.03087 0.00195 0.00001 -0.00080 C26 1 0.654005 0.539579 0.129697 11.00000 0.02397 0.02581 = 0.02827 0.00440 -0.01023 0.00121 C27 1 0.740955 0.462723 0.079007 11.00000 0.02347 0.02058 = 0.03885 -0.00514 -0.00299 0.00521 AFIX 43 H27 2 0.705222 0.381917 0.062535 11.00000 -1.20000 AFIX 0 C28 1 0.877326 0.500059 0.051907 11.00000 0.02301 0.02068 = 0.02737 0.00117 -0.00097 0.00682 AFIX 43 H28 2 0.933439 0.447336 0.016656 11.00000 -1.20000 AFIX 0 C29 1 0.931148 0.625348 0.080342 11.00000 0.02206 0.02332 = 0.02508 0.00133 -0.00120 0.00636 C30 1 0.840733 0.704935 0.127555 11.00000 0.02214 0.02156 = 0.02403 0.00076 -0.00164 0.00658 AFIX 43 H30 2 0.873393 0.787548 0.141788 11.00000 -1.20000 AFIX 0 C31 1 0.703633 0.664931 0.154000 11.00000 0.03373 0.02164 = 0.02816 0.00596 0.00161 -0.00510 AFIX 43 H31 2 0.644769 0.718599 0.187001 11.00000 -1.20000 AFIX 0 C32 1 1.026380 0.216948 0.667948 11.00000 0.02884 0.04884 = 0.02471 -0.00100 0.00079 0.00353 AFIX 137 H32A 2 1.106700 0.157852 0.659300 11.00000 -1.50000 H32B 2 0.953445 0.176988 0.703384 11.00000 -1.50000 H32C 2 1.064231 0.292930 0.696735 11.00000 -1.50000 AFIX 0 C33 1 0.923327 0.156404 0.527614 11.00000 0.02884 0.02255 = 0.02504 0.00249 -0.00336 0.00842 C34 1 0.707366 0.069697 0.231420 11.00000 0.03278 0.03130 = 0.02322 0.00459 0.00026 0.00163 C35 1 0.586373 0.038364 0.091761 11.00000 0.04555 0.04657 = 0.03387 -0.01676 -0.00392 -0.00898 AFIX 137 H35A 2 0.546954 0.089704 0.044185 11.00000 -1.50000 H35B 2 0.512859 -0.023136 0.108466 11.00000 -1.50000 H35C 2 0.673782 -0.006179 0.073815 11.00000 -1.50000 AFIX 0 HKLF 4 REM 78-3_a.res in P2(1) REM wR2 = 0.2153, GooF = S = 1.037, Restrained GooF = 1.046 for all data REM R1 = 0.0849 for 4097 Fo > 4sig(Fo) and 0.1301 for all 6468 data REM 400 parameters refined using 47 restraints END WGHT 0.0864 0.0000 REM Highest difference peak 1.437, deepest hole -1.309, 1-sigma level 0.130 Q1 1 1.1110 0.6767 -0.0398 11.00000 0.05 1.41 Q2 1 1.1236 0.6781 0.1328 11.00000 0.05 1.35 Q3 1 1.2550 0.6773 0.0147 11.00000 0.05 1.19 Q4 1 0.9798 0.6796 0.0741 11.00000 0.05 1.09 Q5 1 0.9613 0.6771 0.0440 11.00000 0.05 1.00 ; 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1 -2 -12 -5 1002.61 935.288 4 -2 -12 -6 1764.25 1225.80 4 2 -12 6 3354.66 1544.74 1 2 -12 7 1196.16 1264.85 1 -2 -12 -7 1908.95 1478.62 4 -2 -11 9 1508.98 1061.53 4 -2 -11 9 1028.60 1127.78 1 -2 -11 8 3007.53 1422.48 4 -2 -11 8 2470.35 1493.18 1 -2 -11 7 805.880 1085.98 4 -2 -11 7-320.860 951.197 1 -2 -11 6 4038.08 1806.58 1 -2 -11 6 3246.15 1668.76 4 -2 -11 5 2448.83 1517.67 1 -2 -11 5 1718.43 1206.02 4 -2 -11 4 676.114 707.217 4 -2 -11 4 819.126 951.739 1 -2 -11 3 4212.90 1958.96 1 -2 -11 3 3847.07 1706.94 4 -2 -11 2 1848.63 1190.61 4 -2 -11 2 691.599 1013.06 1 -2 -11 1 15983.3 3766.80 1 -2 -11 1 11600.8 2815.87 4 -2 -11 0 7936.72 2311.57 4 -2 -11 -1 10830.1 2864.77 4 -2 -11 -2 4762.37 1962.76 4 2 -11 2 8387.28 3190.70 1 2 -11 3 1185.70 1429.41 1 -2 -11 -3 1068.18 1162.92 4 2 -11 4 794.259 1147.87 1 -2 -11 -4 894.266 985.702 4 -2 -11 -5-836.770 764.719 4 2 -11 5 1167.36 1212.81 1 -2 -11 -6 1049.33 920.149 4 2 -11 6-559.786 841.745 1 2 -11 7 2191.41 1294.54 1 -2 -11 -7 2925.84 1573.82 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15236.5 2475.27 3 -2 3 9 6632.82 1144.64 4 -2 3 9 9226.87 2165.49 3 2 3 -9 8542.06 1756.44 3 -2 3 8 6760.57 1752.49 3 2 3 -8 7806.68 1557.09 3 -2 3 8 4817.97 1008.25 4 -2 3 7 8139.39 1730.63 3 2 3 -7 7152.02 1342.57 3 -2 3 6 34548.6 3430.56 3 2 3 -6 33018.6 2767.78 3 -2 3 5 3505.44 1070.57 3 2 3 -5 3767.32 847.663 3 -2 3 4 7355.93 1460.22 3 2 3 -4 6240.11 964.838 3 -2 3 4 6414.23 879.305 2 -2 3 3 16339.0 1357.35 2 -2 3 3 15641.1 2046.85 3 2 3 -3 15676.7 2046.32 5 2 3 -3 15389.5 1290.77 3 -2 3 2 49496.3 3625.84 3 -2 3 2 52826.7 2358.81 2 2 3 -2 54441.0 3691.50 5 -2 3 1 86049.9 4182.78 1 -2 3 1 87049.1 4580.02 3 2 3 -1 99182.3 4679.85 5 -2 3 0 93427.9 4424.27 1 2 3 0 101607. 4524.61 5 -2 3 0 90319.0 3025.09 5 2 3 1 28783.9 2476.22 1 2 3 1 26534.6 2408.98 5 -2 3 -1 21445.2 1563.62 5 -2 3 -2 9911.65 1242.74 5 2 3 2 10955.0 1511.40 5 2 3 2 10555.8 1472.67 1 2 3 3 41973.4 2833.62 1 -2 3 -3 45963.7 3185.15 5 -2 3 -3 40353.6 2315.40 2 2 3 3 46909.8 3327.96 5 2 3 4 92262.6 4610.93 5 -2 3 -4 94799.3 5191.39 5 -2 3 -4 79657.2 3331.82 2 -2 3 -5 10281.4 1819.18 5 2 3 5 9731.90 1683.59 5 -2 3 -5 8101.02 1121.26 2 -2 3 -6 9431.87 1859.34 5 2 3 6 9544.91 1767.78 5 -2 3 -6 7534.67 1138.01 2 -2 3 -7 11630.4 1873.12 4 -2 3 -7 11201.4 2005.37 5 2 3 7 14393.8 2255.98 5 -2 3 -8 23310.0 2535.52 4 -2 3 -8 19970.0 2844.55 5 -2 3 -9 39118.5 3109.73 4 -2 3 -9 40581.6 4190.13 5 -2 3 -10 28200.8 2532.96 4 -2 3 -10 25607.2 3445.20 5 -2 3 -11 13560.2 1799.15 4 -2 3 -11 8943.95 3247.68 3 -2 3 -12 2889.31 760.088 4 -2 3 -12 3439.28 2188.67 3 2 3 13 2865.63 566.016 2 -2 3 -13 3810.03 2211.93 3 -2 3 -13 3351.97 809.174 4 -2 3 -14 17215.7 4312.22 3 -2 3 -15 1107.67 1265.17 3 -2 3 -16 1779.49 1297.21 3 -2 3 -17 748.954 988.005 3 -2 3 -18 836.810 1381.50 3 2 4 -19 1256.34 1260.17 3 2 4 -18 1715.32 1628.40 3 2 4 -17 4072.14 1883.05 3 2 4 -16 2311.89 1517.42 3 2 4 -15-1466.01 857.001 2 2 4 -15 1453.52 1193.63 3 2 4 -14 5224.65 1842.39 3 2 4 -14 4314.70 1202.17 2 -2 4 13 12418.0 1642.86 4 2 4 -13 14083.6 2877.04 3 2 4 -13 9239.90 1592.11 2 -2 4 12 3534.25 950.210 4 2 4 -12 3003.69 863.600 2 2 4 -12 4050.97 1446.89 3 -2 4 11 107.230 367.284 4 2 4 -11 497.227 698.601 3 -2 4 10 3191.66 1016.62 4 2 4 -10 1933.00 935.012 3 -2 4 9 6178.86 1769.51 3 2 4 -9 6168.44 1500.98 3 -2 4 9 5074.73 1202.25 4 -2 4 8 26117.0 2645.23 4 2 4 -8 29772.5 2974.17 3 -2 4 8 33414.6 3870.08 3 -2 4 7 22078.6 2386.38 4 2 4 -7 24729.9 2527.04 3 -2 4 7 30173.9 3525.17 3 -2 4 6 32043.8 2874.04 4 -2 4 6 34672.7 3649.28 3 -2 4 6 31524.1 1908.37 2 2 4 -6 38708.6 2876.97 3 -2 4 5 21704.3 2321.55 4 2 4 -5 29160.7 2265.80 3 -2 4 5 28790.2 3107.97 3 -2 4 5 26781.5 1733.87 2 -2 4 4 21873.3 2358.65 4 -2 4 4 26351.1 2888.22 3 -2 4 4 21693.6 1655.29 2 2 4 -4 26630.2 1827.15 3 -2 4 3 9827.68 1658.28 1 -2 4 3 10901.6 1785.76 3 -2 4 3 12815.0 1264.38 2 2 4 -3 9894.13 914.219 3 2 4 -3 12085.6 1904.01 5 -2 4 2 13721.2 1860.17 1 -2 4 2 15091.2 1440.50 2 -2 4 2 15065.3 2100.74 3 2 4 -2 18124.0 2222.05 5 -2 4 1 18188.4 2275.37 3 2 4 -1 19096.3 2217.76 5 -2 4 1 17202.0 2132.26 1 -2 4 1 19295.5 1686.43 2 2 4 0 14483.0 1906.01 5 -2 4 0 12413.5 959.906 5 -2 4 0 15513.1 2070.95 1 -2 4 0 18767.5 1652.04 2 2 4 1 1606.20 761.394 1 -2 4 -1 1904.01 442.056 5 2 4 1 1891.37 589.814 5 2 4 2 19241.1 2196.08 1 -2 4 -2 17582.1 1631.02 5 2 4 2 16844.2 1974.21 5 2 4 3 12009.3 1767.52 1 2 4 3 10562.3 1724.21 5 -2 4 -3 11778.3 1639.73 5 -2 4 -4 75363.2 5323.37 4 -2 4 -4 83559.6 5079.39 5 2 4 4 78271.9 4407.12 5 -2 4 -5 35024.0 3688.85 4 2 4 5 37537.5 3246.01 5 -2 4 -5 37876.6 3690.78 5 -2 4 -6 54266.8 4578.74 4 2 4 6 58477.2 4343.96 5 -2 4 -6 58111.6 4674.47 5 -2 4 -7 41831.1 3847.63 4 2 4 7 48561.9 4383.98 5 -2 4 -7 40877.9 4056.10 5 -2 4 -8 12959.1 2059.16 4 -2 4 -8 11110.7 1548.80 2 -2 4 -8 11921.5 2241.53 5 -2 4 -9 4053.11 1156.50 4 -2 4 -9 3766.62 991.999 2 -2 4 -9 2434.97 1106.92 5 -2 4 -10 1265.07 766.720 2 -2 4 -10 626.457 358.540 4 -2 4 -11 12320.7 1927.53 4 -2 4 -11 9247.58 1601.96 2 -2 4 -12 118.994 394.095 4 -2 4 -12 388.446 1162.50 3 -2 4 -13 970.633 460.659 4 -2 4 -13 518.837 1246.29 3 -2 4 -14 6681.85 2834.80 3 -2 4 -15 5687.26 2740.71 3 -2 4 -16 4161.06 2499.80 3 -2 4 -17 6542.34 2546.63 3 -2 4 -18 5961.00 2731.56 3 2 5 -19 1601.87 1522.15 3 2 5 -18 2595.65 1697.64 3 2 5 -17 1453.58 1333.90 3 2 5 -16-346.631 792.429 3 2 5 -15 2626.30 1029.41 2 2 5 -15 1252.33 1109.89 3 2 5 -14 2681.29 1031.11 2 2 5 -14 4392.60 1721.53 3 2 5 -13 905.120 835.120 2 2 5 -13 1501.76 1282.25 3 2 5 -12 4713.25 1178.85 2 2 5 -12 7071.25 1847.64 3 2 5 -11 6253.45 1699.36 3 2 5 -11 4931.85 1192.41 2 2 5 -10 7304.33 1657.57 3 2 5 -10 6745.91 1399.20 2 2 5 -9 19658.2 2512.22 3 -2 5 8 15759.6 2813.25 3 -2 5 8 11194.7 1233.39 2 2 5 -8 15598.7 2137.34 3 -2 5 7 6164.40 1679.46 3 -2 5 7 6771.82 969.400 2 2 5 -7 7712.13 1382.28 3 -2 5 6 945.419 729.442 3 -2 5 6 431.793 374.965 2 2 5 -6 363.145 233.487 3 -2 5 5 1801.41 449.201 2 2 5 -5 1961.88 561.291 3 -2 5 5 1836.94 903.999 3 -2 5 4 7483.20 1023.24 2 -2 5 4 8264.67 1627.19 1 -2 5 4 9426.94 1783.39 3 2 5 -4 7946.37 882.587 3 2 5 -4 8669.93 1646.72 5 -2 5 3 2994.10 997.529 1 -2 5 3 2895.28 577.173 2 -2 5 3 3729.34 1099.70 3 2 5 -3 3420.55 994.496 5 -2 5 2 16699.5 1699.90 2 -2 5 2 15454.4 2217.60 3 2 5 -2 19385.6 2497.36 5 -2 5 2 13936.8 2084.96 1 2 5 -1 24160.1 2482.60 5 -2 5 1 23670.7 2757.06 3 -2 5 1 26570.0 2172.06 2 -2 5 1 25001.8 2848.58 1 -2 5 0 88406.5 4133.16 2 2 5 0 81749.9 4538.54 5 -2 5 0 76870.5 5247.85 1 2 5 1 63068.7 4032.58 5 -2 5 -1 56586.8 2369.94 5 -2 5 -2 26452.7 3358.07 4 2 5 2 28003.9 2690.82 5 -2 5 -2 27992.0 1992.33 5 2 5 2 29315.8 3062.36 1 -2 5 -3 10457.6 2115.14 4 2 5 3 6681.61 1411.92 1 -2 5 -3 10146.1 1509.87 5 2 5 3 7530.77 1415.97 5 -2 5 -4 7290.87 1810.25 4 -2 5 -4 4453.75 937.794 2 -2 5 -4 7565.19 1544.05 5 2 5 4 6201.28 1343.00 5 2 5 4 5454.58 1415.78 1 2 5 5 546.958 639.480 1 -2 5 -5-303.719 567.815 2 2 5 5 195.800 266.994 5 -2 5 -5 1240.21 683.301 5 -2 5 -5 1229.84 894.332 4 -2 5 -6 2855.92 844.109 2 -2 5 -6 2646.65 943.949 5 2 5 6 3043.71 1082.84 5 -2 5 -6 3250.32 1261.44 4 2 5 6 3012.62 1111.32 1 -2 5 -7 4974.89 1057.77 2 -2 5 -7 7458.47 1777.19 4 2 5 7 7319.41 1774.65 5 -2 5 -7 7220.23 1732.58 5 -2 5 -8 10695.4 2025.55 4 -2 5 -8 8689.98 1493.93 2 -2 5 -8 9779.02 2057.68 5 -2 5 -9 2667.43 738.450 4 -2 5 -9 2166.51 834.893 2 -2 5 -9 3299.91 1258.03 5 -2 5 -10 19638.8 2825.52 4 -2 5 -10 16642.4 2158.73 2 -2 5 -11 8313.81 1762.22 4 -2 5 -11 7850.38 1549.74 2 -2 5 -12 2132.26 802.048 4 -2 5 -12 1775.79 1882.15 3 -2 5 -12 3020.58 1052.42 2 -2 5 -13 3636.38 1907.43 3 -2 5 -13 3921.10 1394.79 2 -2 5 -14-209.063 422.339 3 -2 5 -15 1367.27 1508.18 3 -2 5 -16 730.059 845.657 3 -2 5 -17-1117.76 724.204 3 -2 5 -18 89.0235 1925.21 3 2 6 -18 3137.94 1833.90 3 2 6 -17-157.086 211.648 3 2 6 -16 4809.98 1908.20 3 2 6 -15 5176.91 1679.96 2 2 6 -15 2763.91 1475.01 3 2 6 -14 1756.80 901.865 3 2 6 -14 3266.05 1396.17 2 2 6 -13 466.471 360.231 2 2 6 -13-311.138 208.424 3 -2 6 12-129.607 439.349 4 2 6 -12-90.3853 507.007 2 2 6 -12 265.565 433.084 3 -2 6 11 1113.68 644.663 4 2 6 -11 1116.88 715.519 3 2 6 -11 84.9587 413.054 2 2 6 -10 3236.82 1230.47 3 -2 6 10 2366.96 940.587 4 2 6 -10 3288.93 842.239 2 2 6 -9 6959.79 1476.59 3 -2 6 9 9181.88 2066.71 4 -2 6 9 6285.30 1028.97 2 -2 6 8 7190.42 1729.79 4 -2 6 8 4705.31 938.411 2 2 6 -8 5881.23 1295.19 3 -2 6 7 8185.06 1911.19 3 -2 6 7 6498.91 1066.48 2 2 6 -7 7544.18 1290.29 3 -2 6 7 6620.87 1575.66 4 -2 6 6 17578.1 2605.49 4 -2 6 6 18082.8 2800.64 1 -2 6 6 14955.2 1697.57 2 -2 6 6 17161.4 2699.88 3 2 6 -6 17882.7 1812.45 3 -2 6 5 11502.1 2141.31 4 -2 6 5 14989.1 2516.73 1 2 6 -5 14783.2 2370.32 5 -2 6 5 16777.6 2562.29 3 2 6 -5 14325.2 1340.08 3 -2 6 5 13525.7 1587.05 2 -2 6 4 44896.2 4146.46 4 -2 6 4 55345.3 4627.98 1 -2 6 4 60878.7 4721.01 3 2 6 -4 60828.6 4777.37 5 -2 6 4 55088.2 3524.90 2 -2 6 3 16390.0 2574.34 4 -2 6 3 22790.0 2194.45 2 -2 6 3 20284.0 2633.32 3 2 6 -3 22101.7 2822.55 5 -2 6 3 19768.7 2835.39 1 -2 6 2 2839.81 1093.24 1 -2 6 2 2438.97 468.422 2 -2 6 2 2895.48 1153.62 4 2 6 -2 4707.46 1606.68 4 -2 6 2 3347.54 1037.69 3 2 6 -2 4177.11 1115.18 5 2 6 -1 6562.79 1821.94 4 -2 6 1 5691.18 1006.40 2 -2 6 1 6218.27 1613.61 4 -2 6 1 5536.15 1552.83 1 -2 6 1 6620.87 1521.69 3 2 6 -1 8110.71 1423.98 5 -2 6 0 6154.49 1044.73 2 -2 6 0 1184.21 836.724 4 -2 6 0 6566.79 1608.97 1 2 6 0 3269.08 1244.65 4 -2 6 0 7813.54 1664.66 3 2 6 0 8378.26 1456.31 5 2 6 1 2507.57 692.523 5 -2 6 -1 2654.04 815.012 2 -2 6 -1 3310.34 1413.30 4 2 6 1 4362.41 1352.49 1 2 6 1 4976.83 1534.78 4 -2 6 -1 2029.76 375.726 5 -2 6 -2 34836.7 4061.55 4 2 6 2 34507.0 3608.68 4 -2 6 -2 33468.9 2049.09 5 2 6 2 34298.7 3069.30 5 -2 6 -2 29010.3 2698.16 2 2 6 2 36568.9 3718.52 1 -2 6 -3 20610.8 3237.77 4 -2 6 -3 21870.1 2135.71 5 -2 6 -3 17394.3 2106.64 2 2 6 3 19950.1 2382.68 5 2 6 3 17904.2 2558.75 1 -2 6 -4 4608.58 1466.34 4 2 6 4 3125.28 1039.79 1 -2 6 -4 3461.82 826.829 2 -2 6 -4 5892.20 1349.28 5 2 6 4 3778.56 1077.95 5 2 6 5 17938.3 2787.36 1 -2 6 -5 17320.4 2979.60 4 -2 6 -5 14200.0 1978.11 2 2 6 5 20357.4 2721.90 5 -2 6 -5 23402.1 3001.09 5 -2 6 -6 28935.5 3958.84 4 2 6 6 24314.5 3270.41 1 -2 6 -6 25335.6 3255.40 5 -2 6 -6 23495.9 2606.84 2 2 6 6 28886.9 3254.12 5 -2 6 -7 9035.55 2212.18 4 -2 6 -7 5734.92 1181.36 2 -2 6 -7 8822.78 1948.72 5 -2 6 -8 103.323 435.319 4 -2 6 -8 406.003 373.205 2 -2 6 -8 1163.20 932.465 5 -2 6 -9 9445.70 2142.44 4 -2 6 -9 8898.88 1563.59 2 -2 6 -9 10155.6 2128.90 5 -2 6 -10 1028.06 792.000 4 -2 6 -10 1779.97 839.476 2 -2 6 -11 2908.81 1270.91 4 -2 6 -11 3945.46 1275.88 2 -2 6 -12 3215.92 1135.02 4 -2 6 -12 1701.34 767.195 3 -2 6 -12 2977.69 1090.31 2 -2 6 -13 1153.05 866.959 3 -2 6 -13 3466.23 1419.06 2 -2 6 -14 1671.53 1948.27 3 -2 6 -14 5117.88 1526.03 2 -2 6 -15 2312.07 1428.61 3 -2 6 -16 910.876 882.225 3 -2 6 -17 7785.69 3202.13 3 -2 6 -18 4776.22 2650.41 3 2 7 -16 579.025 660.642 3 2 7 -15 2551.91 1345.19 2 2 7 -15 631.654 748.090 3 2 7 -14 2114.17 1204.26 2 2 7 -14 903.962 549.458 3 2 7 -13 702.411 537.045 2 2 7 -13 1537.57 1033.98 3 2 7 -12 7216.44 1819.82 2 2 7 -12 9173.30 2121.77 3 2 7 -11 2942.56 983.855 2 2 7 -11 3906.51 1222.91 3 -2 7 10 9769.85 1450.61 2 2 7 -10 11510.9 2046.75 2 2 7 -10 14275.9 2272.77 3 -2 7 9 5007.38 1017.89 2 2 7 -9 3094.93 754.249 2 2 7 -9 5583.68 1299.68 3 -2 7 8 4139.18 958.576 2 2 7 -8 6228.14 1244.05 3 -2 7 7 12557.7 2546.13 4 -2 7 7 11769.5 1701.75 2 -2 7 7 14153.9 2653.77 3 2 7 -7 15910.9 1832.32 3 -2 7 6 5490.85 1529.51 3 -2 7 6 3873.43 850.040 2 2 7 -6 5667.40 927.568 3 -2 7 6 4160.35 1395.71 4 2 7 -6 5473.45 1366.24 5 -2 7 5-235.163 830.705 2 -2 7 5 680.098 695.362 4 2 7 -5 1323.20 753.797 5 -2 7 5 881.299 706.513 3 -2 7 4-1056.44 1028.65 2 -2 7 4-289.610 651.175 4 -2 7 4 423.444 542.584 3 2 7 -4 462.755 650.527 5 -2 7 3 3160.83 593.103 2 -2 7 3 3251.80 1303.91 1 -2 7 3 3135.52 1186.93 4 2 7 -3 4841.17 1726.62 4 -2 7 3 3452.89 1077.40 3 2 7 -3 4476.03 1324.37 5 -2 7 2 24431.1 3363.47 4 2 7 -2 34460.9 4153.57 4 -2 7 2 30029.6 3043.95 2 2 7 -2 34294.6 3387.07 5 -2 7 2 21937.6 3368.14 1 -2 7 2 26062.4 3066.69 3 -2 7 1 11746.0 2394.41 4 2 7 -1 16775.4 2799.19 4 -2 7 1 13970.3 2260.73 3 -2 7 1 14550.5 2125.49 2 -2 7 1 12130.9 2858.08 1 2 7 -1 14588.6 2074.54 5 -2 7 0 28503.4 3770.06 4 -2 7 0 34241.1 3738.15 3 -2 7 0 30783.0 3083.60 2 2 7 0 35602.8 3300.00 5 -2 7 -1 7382.26 1436.75 2 -2 7 -1 8001.88 1780.95 3 2 7 1 8524.43 2055.58 4 2 7 1 5978.33 1189.55 5 2 7 2 12697.2 2380.47 4 -2 7 -2 9385.30 1601.22 2 -2 7 -2 11256.0 2578.05 4 2 7 2 11729.7 2226.63 1 2 7 2 11725.2 1827.56 5 -2 7 -2 10070.1 1016.33 5 -2 7 -3 2560.69 648.009 2 -2 7 -3 6833.05 2098.26 4 2 7 3 6815.17 1820.06 4 -2 7 -3 7913.10 1225.63 5 2 7 3 4996.94 1556.86 1 2 7 3 6103.77 1335.61 5 -2 7 -4 7826.09 1404.61 2 -2 7 -4 12065.4 2703.89 4 2 7 4 11100.1 1871.46 5 -2 7 -4 12917.0 1893.44 5 -2 7 -5 1359.40 437.702 2 -2 7 -5 3755.21 1402.56 4 -2 7 -5 4203.05 1364.59 5 2 7 5 4078.56 1242.64 5 2 7 6 2116.53 924.994 5 -2 7 -6 1681.22 930.188 5 -2 7 -7 2959.04 1294.40 5 -2 7 -7 456.391 595.700 2 -2 7 -8 40606.1 4443.45 5 -2 7 -8 32893.7 3522.34 2 -2 7 -9 7535.15 1635.59 2 -2 7 -9 10353.6 2448.07 5 -2 7 -10 5118.84 1329.17 2 -2 7 -11 2734.50 1093.92 2 -2 7 -12 5422.62 2392.43 3 -2 7 -12 4459.42 1378.50 2 -2 7 -13 4731.06 2220.09 3 -2 7 -13 2505.69 1163.51 2 -2 7 -14-1179.82 1662.78 3 -2 7 -14 1536.10 1117.31 2 -2 7 -15 2930.41 2028.95 3 -2 7 -15 4345.18 1629.08 2 -2 7 -16 440.722 1234.56 3 -2 7 -17-1573.18 1221.04 3 2 8 -15 4165.54 1876.35 2 2 8 -14 6872.15 2052.83 2 2 8 -13 2480.73 1447.06 2 2 8 -12 5992.31 1697.63 2 2 8 -12 6286.19 1753.08 3 -2 8 11 5408.81 1161.60 2 2 8 -11 4988.13 1474.22 2 2 8 -11 6746.86 1652.43 3 2 8 -10 166.969 400.029 2 -2 8 10 1993.09 1011.93 2 2 8 -10 1163.88 609.417 3 -2 8 9 5497.74 1292.61 2 2 8 -9 4903.09 1273.24 2 2 8 -9 8230.00 1578.67 3 -2 8 8 875.026 499.413 2 2 8 -8 1220.85 233.815 2 2 8 -8 2046.05 703.157 3 -2 8 7 3385.13 764.179 2 2 8 -7 4504.08 837.612 3 2 8 -7 4258.33 1305.59 5 -2 8 6 22531.9 2815.45 2 2 8 -6 24295.2 3262.36 5 -2 8 6 23063.2 3364.38 3 -2 8 5 23764.6 3224.33 3 2 8 -5 27115.4 3468.14 5 -2 8 5 23458.2 2892.05 2 -2 8 4 937.686 456.619 2 2 8 -4 2538.14 866.052 5 -2 8 4 2112.98 969.680 3 -2 8 3 35571.1 3574.62 2 2 8 -3 40169.8 3984.68 5 -2 8 3 35830.7 3782.02 3 2 8 -2 37595.1 3578.28 5 -2 8 2 30155.6 3260.57 2 -2 8 2 25981.3 3171.55 3 -2 8 1 2410.06 990.040 2 -2 8 1 1636.34 893.565 3 2 8 -1-501.546 407.289 5 -2 8 0 3596.32 911.299 2 2 8 0 4907.07 1202.92 5 -2 8 0 3628.53 1239.10 3 -2 8 -1 3626.47 901.017 2 -2 8 -1 4919.54 1416.42 3 2 8 1 5229.43 1140.40 5 -2 8 -2 1420.21 653.531 2 2 8 2 2025.81 783.881 5 -2 8 -3 9562.17 1786.88 2 2 8 3 11605.2 1794.11 5 -2 8 -3 12324.3 1368.89 5 -2 8 -4 17304.0 2395.70 2 2 8 4 22756.9 2778.52 5 -2 8 -4 26637.7 2437.91 5 -2 8 -5 15875.0 2255.25 2 2 8 5 21559.3 2760.67 5 -2 8 -5 22872.4 2694.03 5 -2 8 -6 1450.60 693.810 2 -2 8 -6 2217.31 821.890 5 2 8 6 2729.30 1017.03 5 -2 8 -7 33669.1 3838.62 5 -2 8 -7 26223.2 3310.09 2 -2 8 -8 399.229 931.318 2 -2 8 -8 3499.86 1379.26 5 -2 8 -9-26.8461 733.441 2 -2 8 -9 1086.04 1016.96 5 -2 8 -10-997.283 1066.82 2 -2 8 -11 286.707 549.983 2 -2 8 -12 1006.76 1108.80 3 -2 8 -12 2073.70 1238.95 2 -2 8 -13 1781.82 1614.33 3 -2 8 -13 2879.23 1411.90 2 -2 8 -14 3590.46 2334.00 3 -2 8 -14 1673.00 1259.20 2 -2 8 -15 3102.15 2320.87 3 -2 8 -15 4723.57 1751.80 2 -2 8 -16 784.962 969.727 3 -2 8 -16 5331.61 1802.73 2 -2 8 -17 1750.90 1862.09 3 2 9 -15 3007.25 1602.17 2 2 9 -14 1120.05 790.699 2 2 9 -13 1767.72 1273.81 2 2 9 -12 172.134 592.320 2 2 9 -11 10506.5 2462.41 2 -2 9 10 11086.6 1920.28 2 2 9 -10 10493.4 2318.47 2 -2 9 9 4215.52 1339.73 2 2 9 -9 4808.27 1377.46 2 2 9 -9 5040.02 1628.94 5 -2 9 8 5372.98 1457.82 2 2 9 -8 4897.53 1411.13 2 2 9 -8 5674.68 1655.11 5 -2 9 7 535.931 943.465 2 2 9 -7 2779.37 978.372 5 2 9 -7 1218.73 418.320 2 -2 9 6 2583.47 450.457 2 2 9 -6 1939.33 158.273 2 2 9 -6 1766.12 729.391 5 -2 9 5 2410.46 970.640 3 -2 9 5 485.067 1140.45 2 2 9 -5 3524.82 1111.05 5 2 9 -4-275.812 386.560 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2292.58 4 -3 -11 5 6958.24 2484.55 1 -3 -11 4 5808.13 2195.15 4 -3 -11 4 10083.9 3288.82 1 -3 -11 3 2068.39 1500.04 1 -3 -11 3 1829.16 1307.85 4 -3 -11 2 10197.6 2890.26 4 -3 -11 2 17653.0 4263.52 1 -3 -11 1 7927.57 2448.76 4 -3 -11 1 12600.7 3294.94 1 -3 -11 0 1602.64 1064.09 4 -3 -11 -1 1347.52 963.401 4 -3 -11 -2 3886.61 1871.48 4 -3 -11 -3 2978.81 1582.43 4 3 -11 3 2584.66 1888.24 1 -3 -11 -4 2276.40 1536.68 4 3 -11 4 4015.49 1643.52 1 -3 -11 -5 894.389 1087.79 4 3 -11 5 1790.51 1201.86 1 -3 -11 -6 812.253 920.281 4 3 -11 6 3342.21 1519.18 1 -3 -11 -7 4165.56 1850.91 4 3 -11 7 3942.31 2274.68 1 -3 -11 -8 592.627 723.409 4 3 -11 8 649.535 1614.03 1 3 -11 9 2979.04 2112.58 1 -3 -11 -9 3975.33 1907.91 4 -3 -11 -10 2057.65 1296.37 4 3 -11 10 2655.35 1686.62 1 -3 -11 -11 1435.15 1158.73 4 -3 -10 12 2739.01 1381.49 4 -3 -10 11 830.451 1102.68 4 -3 -10 11 573.101 1237.83 1 -3 -10 10 2578.77 1334.12 4 -3 -10 10 1432.38 1291.68 1 -3 -10 9 2835.47 1233.60 4 -3 -10 9 3713.07 1880.23 1 -3 -10 8 4226.13 1775.74 1 -3 -10 8 4037.61 1731.62 4 -3 -10 7 9830.82 2445.40 4 -3 -10 7 10965.7 2922.06 1 -3 -10 6 1238.11 1360.77 1 -3 -10 6 1459.82 1198.57 4 -3 -10 5 11367.5 3043.52 1 -3 -10 5 8137.33 2140.51 4 -3 -10 4 1697.53 933.289 4 -3 -10 4 2678.91 1486.10 1 -3 -10 3 450.701 919.873 4 -3 -10 3-1401.49 1159.54 1 -3 -10 2 1994.25 1249.47 1 -3 -10 2 2271.37 1399.43 4 -3 -10 1 2658.01 1316.93 4 -3 -10 1 3264.49 1641.01 1 -3 -10 0 5530.91 2029.22 4 -3 -10 0 4478.41 2113.34 1 -3 -10 -1 17669.9 3372.78 4 -3 -10 -2 3957.79 1601.65 4 3 -10 2 9711.68 3097.83 1 -3 -10 -3 4396.98 1959.30 4 3 -10 3 8800.82 2857.66 1 3 -10 4 9887.20 3094.35 1 -3 -10 -4 6325.26 1904.81 4 -3 -10 -5 5226.06 1678.53 4 3 -10 5 9105.45 2737.96 1 -3 -10 -6 4768.42 1810.91 4 3 -10 6 4868.78 2242.59 1 3 -10 7-240.835 1408.12 1 -3 -10 -7-579.897 921.847 4 -3 -10 -8 444.045 602.673 4 3 -10 8-620.833 1007.38 1 -3 -10 -9 1702.96 1160.30 4 3 -10 9 1354.50 1126.93 1 -3 -10 -10 2408.87 1519.54 4 3 -10 10 1193.75 987.715 1 -3 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5 -3 -9 -4 7911.37 2315.27 4 3 -9 4 11372.8 2973.33 1 -3 -9 -4 9885.30 2206.29 5 -3 -9 -4 12029.1 1694.06 3 3 -9 5 2220.13 1479.51 1 -3 -9 -5 1483.48 949.604 4 -3 -9 -5 3339.19 1058.86 3 -3 -9 -5 2692.25 1162.06 5 3 -9 6 8025.08 2715.92 1 -3 -9 -6 5273.26 1901.07 4 -3 -9 -6 9535.44 2032.39 3 -3 -9 -6 6950.60 1858.48 5 -3 -9 -7 8155.99 2048.69 3 -3 -9 -7 2876.87 1153.55 4 3 -9 7 6714.41 2192.53 1 -3 -9 -8 4012.74 1785.14 4 3 -9 8 5247.58 2225.84 1 -3 -9 -8 4921.53 1595.42 3 -3 -9 -9 5630.67 2055.42 4 3 -9 9 5160.97 2173.20 1 -3 -9 -9 7905.85 2262.50 3 -3 -9 -10 4540.60 1906.26 4 3 -9 10 3858.23 1854.77 1 -3 -9 -10 6283.52 2011.89 3 -3 -9 -11 1418.45 1168.95 4 3 -9 11 1286.80 912.155 1 -3 -9 -11 2024.73 1486.49 3 -3 -9 -12 338.599 560.257 4 3 -9 12 1738.29 1750.69 1 -3 -9 -12 1714.11 1077.19 3 -3 -9 -13 1062.89 1128.99 3 -3 -9 -14 881.473 1042.69 3 -3 -9 -15 3278.70 1982.87 3 3 -8 -15 1966.95 1434.94 3 3 -8 -14-1087.72 631.628 3 -3 -8 13 2352.87 1239.98 4 3 -8 -13 1745.25 1259.92 3 -3 -8 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2263.69 2 -3 5 2 35076.5 3634.33 1 -3 5 1 56979.2 4739.70 3 -3 5 1 51632.9 3017.93 2 3 5 -1 54004.7 4444.32 5 -3 5 1 51935.8 4349.69 1 -3 5 0 3234.79 1285.76 1 3 5 0 1538.94 626.778 5 -3 5 0 2548.26 565.794 5 3 5 1 20445.3 2669.40 5 -3 5 -1 17062.3 1783.67 2 -3 5 -1 23344.3 2011.04 5 3 5 2 2030.64 784.855 1 -3 5 -2 129.156 242.663 2 3 5 2 1604.27 632.711 5 -3 5 -2 3261.04 912.009 5 3 5 3 26261.9 3058.81 5 -3 5 -3 21354.5 2159.65 5 3 5 3 21983.1 2682.97 1 3 5 4 1296.00 753.298 1 -3 5 -4 2411.45 834.498 2 3 5 4 3796.20 1141.62 5 -3 5 -4 1831.52 774.509 5 3 5 5 9154.04 1864.22 1 -3 5 -5 11409.8 2476.50 4 -3 5 -5 8485.33 1485.98 2 -3 5 -5 9930.89 2086.46 5 3 5 5 9950.07 1969.02 5 -3 5 -6 15238.2 2979.47 4 3 5 6 12974.6 2271.05 1 -3 5 -6 15190.2 2694.76 5 3 5 6 16119.2 2545.37 5 -3 5 -6 11739.6 1803.66 2 -3 5 -7 17279.4 3261.11 4 3 5 7 17356.0 2801.15 1 3 5 7 20581.0 2999.16 5 -3 5 -7 19589.8 3225.70 5 -3 5 -7 15916.9 2060.51 2 -3 5 -8 14536.5 2802.76 4 3 5 8 15882.2 2834.47 5 -3 5 -8 14898.9 2904.84 5 -3 5 -8 11452.3 1857.88 2 -3 5 -9 48701.4 4949.01 4 -3 5 -9 34008.5 3017.14 2 -3 5 -9 46478.8 5308.72 5 -3 5 -10 4013.63 1368.82 4 -3 5 -10 5186.75 1295.28 2 -3 5 -11 3431.22 1256.79 4 -3 5 -12 2017.53 817.161 4 -3 5 -14 616.351 768.833 3 -3 5 -15-536.964 590.050 3 -3 5 -16 934.370 1304.37 3 -3 5 -17 1389.57 1913.41 3 3 6 -17 3401.11 1629.43 3 3 6 -16 1187.19 1079.67 3 3 6 -15 666.009 484.436 3 3 6 -15 1348.21 539.523 2 3 6 -14 497.017 467.367 2 3 6 -14 234.903 406.150 3 3 6 -13 93.0953 783.827 2 3 6 -13 1550.86 1026.72 3 -3 6 12 1475.58 892.808 4 3 6 -12 1042.95 400.271 2 3 6 -12 959.131 749.174 3 -3 6 11 4947.00 1467.74 4 3 6 -11 6893.62 1701.99 3 -3 6 10 7413.27 1740.24 4 3 6 -10 12466.0 2251.74 3 -3 6 9 5271.65 1365.78 4 3 6 -9 10386.0 1941.02 3 -3 6 8 12635.1 2188.56 4 3 6 -8 19408.1 2382.54 3 3 6 -7 25257.1 2471.78 3 3 6 -7 20487.3 3203.74 5 -3 6 6 6923.37 1528.56 4 3 6 -6 10405.0 1311.94 3 -3 6 6 10691.7 2275.34 3 -3 6 6 8796.19 1404.15 2 3 6 -6 10561.1 2279.76 5 -3 6 5 6742.21 1491.61 4 -3 6 5 9186.86 1988.67 1 -3 6 5 9495.59 2079.00 3 -3 6 5 7408.21 1283.08 2 3 6 -5 9899.75 2181.30 5 -3 6 4 3816.70 1132.47 4 -3 6 4 4225.81 1339.11 1 -3 6 4 5592.92 1118.36 2 -3 6 4 8289.95 1958.45 3 3 6 -4 6955.35 1789.74 5 -3 6 3 986.994 689.404 4 -3 6 3 426.856 299.266 2 -3 6 3 1833.51 931.824 1 -3 6 3 2030.86 956.480 3 3 6 -3 810.957 549.595 5 -3 6 2 732.378 646.944 4 -3 6 2 1456.29 563.955 2 3 6 -2 1100.81 553.401 5 -3 6 2 1353.84 812.678 3 -3 6 2 3316.44 1233.87 1 -3 6 1 3237.02 1156.89 4 -3 6 1 8022.40 2118.13 3 -3 6 1 7555.01 1338.86 2 -3 6 1 9344.75 2372.70 1 3 6 -1 4716.62 1287.52 5 -3 6 0 17151.3 2704.37 4 -3 6 0 23860.0 2271.31 2 3 6 0 22933.0 2903.90 5 -3 6 -1 27384.7 3478.53 4 3 6 1 30324.9 3293.85 5 -3 6 -1 29934.0 2657.12 2 -3 6 -1 29080.5 1910.77 5 -3 6 -2 16034.7 2869.14 4 3 6 2 16494.2 2462.40 5 -3 6 -2 15642.9 1961.88 2 -3 6 -2 18157.8 1882.48 5 3 6 2 13083.8 2324.53 1 -3 6 -3 2374.40 1438.83 4 3 6 3 1419.72 666.979 5 -3 6 -3 2895.43 978.070 2 3 6 3 1103.73 498.406 1 -3 6 -3 2950.34 812.328 5 -3 6 -4 28795.8 4175.19 4 -3 6 -4 25458.2 2694.16 5 -3 6 -4 20831.5 2394.68 2 3 6 4 26322.4 3244.39 5 3 6 4 22391.8 2949.04 1 -3 6 -5 30509.9 4461.70 4 3 6 5 30673.7 3600.22 5 -3 6 -5 31674.6 3467.91 5 -3 6 -5 21970.5 2493.86 2 3 6 5 26884.2 3424.70 1 -3 6 -6 1061.97 545.546 4 -3 6 -6 1106.57 726.296 2 3 6 6 1912.79 940.530 5 -3 6 -6 1029.39 654.819 5 3 6 6 775.860 814.507 1 -3 6 -7 19142.2 3557.04 4 3 6 7 19243.9 3031.61 5 -3 6 -7 18512.6 2984.87 5 -3 6 -7 13202.1 2028.04 2 -3 6 -8 1872.26 1321.20 4 -3 6 -8 657.940 664.839 2 -3 6 -8 851.512 745.127 5 3 6 8 700.271 823.116 5 -3 6 -9 5462.57 1894.08 4 -3 6 -9 4518.77 1615.30 5 -3 6 -9 3892.13 1222.40 2 -3 6 -10 10590.5 2408.83 4 -3 6 -10 8925.20 1831.41 2 -3 6 -11 8881.29 2116.48 4 -3 6 -11 10089.3 1972.47 2 -3 6 -14-251.427 513.151 3 -3 6 -15 3879.55 1963.76 3 -3 6 -16 288.227 1425.92 3 -3 6 -17 2070.73 1944.19 3 3 7 -15 2306.07 1430.66 2 3 7 -14 6003.83 1895.06 2 3 7 -14 7724.76 2118.82 3 3 7 -13 317.534 627.562 2 3 7 -13 885.951 899.368 3 3 7 -12 4129.97 1108.58 2 3 7 -12 5188.88 1671.88 3 3 7 -11 5747.21 1284.07 2 3 7 -11 10143.5 2170.45 3 3 7 -10 2509.91 1018.71 3 3 7 -9 4050.20 1132.00 3 -3 7 8 4177.12 1161.94 2 3 7 -8 3541.03 943.724 3 3 7 -8 3977.15 1408.87 5 3 7 -7 7273.27 1087.15 3 -3 7 7 5623.05 1269.76 2 3 7 -7 6809.03 1707.90 5 -3 7 6 5100.60 1261.02 2 3 7 -6 7103.87 1873.48 5 -3 7 5 6240.75 1292.10 2 -3 7 5 7659.85 1902.76 3 3 7 -5 8429.55 2075.60 5 -3 7 4 38608.1 3149.93 2 3 7 -4 51365.5 4925.95 5 -3 7 4 49263.8 4870.49 3 -3 7 3 7343.59 1823.78 1 -3 7 3 6440.05 1321.79 2 -3 7 3 6680.62 1859.78 3 3 7 -3 7076.07 1837.42 5 -3 7 2 9851.94 1620.71 2 -3 7 2 8148.85 2132.65 3 -3 7 2 11568.8 2477.33 1 3 7 -2 7282.90 1708.13 5 -3 7 1 17966.3 2156.24 2 3 7 -1 17799.3 2578.51 5 -3 7 1 24199.6 3543.29 3 -3 7 1 20410.5 3186.61 1 -3 7 0 12852.2 2454.53 3 3 7 0 10981.0 2089.06 5 -3 7 0 15473.9 1985.43 2 -3 7 -1 11420.6 1823.71 2 3 7 1 9472.09 1748.98 5 3 7 2 8993.34 2112.41 1 -3 7 -2 7974.10 1542.39 2 -3 7 -2 11476.9 1327.88 5 3 7 2 10004.7 1869.68 5 -3 7 -3 828.156 501.271 2 -3 7 -3 317.441 217.229 5 3 7 3-241.655 254.329 1 3 7 3 358.329 609.777 5 -3 7 -4 9924.22 1561.72 5 -3 7 -4 6899.80 1370.46 2 3 7 4 10057.4 2021.71 5 -3 7 -5 9473.66 1838.34 2 3 7 5 10681.0 2147.89 5 -3 7 -5 13764.2 2210.62 5 -3 7 -6 26800.5 3354.47 5 3 7 6 29084.9 3692.95 5 -3 7 -7 8217.34 1713.74 2 3 7 7 14442.1 2801.18 5 -3 7 -7 15079.9 2629.63 5 -3 7 -8 1480.87 840.411 2 3 7 8 1573.44 954.066 5 -3 7 -8 2218.08 1102.08 5 -3 7 -9 1270.95 1015.74 2 -3 7 -10 8004.19 1941.11 2 -3 7 -11 2538.33 1259.26 2 -3 7 -12 6428.63 1736.45 2 -3 7 -14 4102.28 1942.65 3 -3 7 -15 2157.98 2042.23 3 -3 7 -16-1048.53 727.141 3 3 8 -15 1385.97 1129.73 2 3 8 -14 1443.23 1299.90 2 3 8 -13 1879.73 1001.82 2 3 8 -12 620.723 526.784 2 3 8 -11 477.080 315.512 2 3 8 -10 631.994 540.975 3 3 8 -10 787.546 794.745 5 3 8 -9 5113.31 1124.93 3 3 8 -9 4479.90 1457.71 5 3 8 -8 7100.46 1033.49 3 -3 8 8 7260.40 1584.81 2 3 8 -8 6562.81 1830.41 5 -3 8 7 18401.6 2409.98 2 3 8 -7 25501.9 3748.34 5 -3 8 6 5206.53 1456.37 2 3 8 -6 5957.16 1900.13 5 -3 8 5 8685.83 1590.82 2 3 8 -5 9715.21 2170.13 5 -3 8 4 15962.3 2323.55 2 -3 8 4 20566.2 3236.32 3 3 8 -4 21969.0 3427.48 5 -3 8 3-284.338 487.055 2 -3 8 3 385.196 782.446 3 3 8 -3 257.121 401.462 5 -3 8 2 3222.47 1314.81 3 -3 8 2 574.047 318.433 2 3 8 -2 2838.03 1158.41 5 -3 8 1 720.346 211.060 2 -3 8 1 635.609 543.133 3 3 8 -1 291.173 259.521 5 -3 8 0 4385.53 1157.95 2 -3 8 0 5414.38 1735.42 3 3 8 0 2936.16 890.575 5 -3 8 -1 10808.4 1902.30 2 -3 8 -1 10306.4 2363.51 3 3 8 1 6980.89 1489.70 5 -3 8 -2 25156.7 3084.24 2 3 8 2 26031.0 3127.34 5 3 8 3 30535.6 3505.66 5 -3 8 -3 32699.2 2440.01 5 -3 8 -3 25484.6 3064.93 2 -3 8 -4 3073.58 1026.73 2 -3 8 -4 3569.32 920.643 5 3 8 4 4115.34 1290.72 5 -3 8 -5 2613.89 825.560 5 -3 8 -5 972.661 819.520 2 3 8 5 2347.22 959.465 5 -3 8 -6 5607.89 1530.17 2 3 8 6 10384.4 2274.78 5 -3 8 -6 8838.05 1778.59 5 -3 8 -7 4005.39 1387.89 2 3 8 7 5315.43 1785.26 5 -3 8 -7 7667.69 1891.71 5 -3 8 -8 1180.18 755.473 2 -3 8 -8 942.528 526.124 5 -3 8 -9 1397.99 1025.26 2 -3 8 -10 2892.67 1432.26 2 -3 8 -11 2993.75 1419.78 2 -3 8 -12 4524.79 1827.72 2 -3 8 -13 3134.31 2154.53 3 -3 8 -13 5885.72 1823.30 2 -3 8 -14 1648.19 1147.73 3 -3 8 -15 2003.85 1042.14 3 -3 8 -16 1828.07 436.007 3 3 9 -15-1.21865 936.313 2 3 9 -14 990.361 1389.87 2 3 9 -13 2947.22 1229.77 2 3 9 -13 2666.70 1440.98 5 3 9 -12 4498.83 1466.85 2 3 9 -12 4587.12 1460.73 5 3 9 -11-140.102 623.484 2 3 9 -11 394.964 194.410 5 3 9 -10 1364.74 286.476 2 3 9 -10 1782.78 830.783 5 3 9 -9 1823.27 597.489 2 -3 9 9 4864.44 1494.85 2 3 9 -9 4043.94 1375.48 5 -3 9 8 2221.13 1238.38 2 3 9 -8-104.974 426.497 5 -3 9 7 1115.72 908.139 2 3 9 -7 371.651 292.297 5 -3 9 6 3470.66 1236.49 2 3 9 -6 5745.41 1779.07 5 -3 9 5 1415.31 1021.13 2 3 9 -5 2099.78 1130.41 5 -3 9 4 4030.70 1106.51 2 3 9 -4 8498.57 1980.59 5 -3 9 3 16409.9 2446.79 2 3 9 -3 21188.5 3123.11 5 -3 9 2 10222.3 2080.59 2 3 9 -2 8601.75 1815.68 5 -3 9 2 8489.16 2175.61 3 -3 9 1 12856.8 2320.43 2 -3 9 1 14508.3 2857.28 3 3 9 -1 15598.0 2452.04 5 -3 9 0 10880.1 2156.69 2 3 9 0 7951.92 1572.87 5 -3 9 0 8094.57 2143.05 3 3 9 1 1402.01 535.352 5 -3 9 -1 4101.67 1576.01 3 -3 9 -2 19312.3 2909.86 3 3 9 2 24617.8 3064.30 5 -3 9 -2 17244.4 2716.12 2 -3 9 -3 4513.40 1782.54 2 3 9 3 3927.86 1362.37 5 -3 9 -4 7859.77 1793.78 2 -3 9 -4 9749.99 1414.79 5 3 9 4 10620.4 2089.43 5 -3 9 -5 35.7721 100.139 2 3 9 5 823.354 1020.12 5 -3 9 -6 4426.21 1427.87 2 3 9 6 6093.33 1765.58 5 -3 9 -7 4663.60 1511.64 2 3 9 7 5599.77 1853.59 5 -3 9 -8 4408.69 1686.11 2 -3 9 -9 5196.10 1734.43 2 -3 9 -10 7408.77 2239.49 2 -3 9 -11 1379.38 1282.85 2 -3 9 -12 4141.98 1868.51 2 -3 9 -13-397.973 555.849 3 -3 9 -13 2763.60 1546.87 2 -3 9 -14 1135.45 993.633 3 -3 9 -14 5186.07 2080.23 2 -3 9 -15 3890.02 2346.35 3 3 10 -14 679.215 934.331 2 3 10 -14-133.430 346.370 5 3 10 -13 131.774 751.623 2 3 10 -13-220.606 347.181 5 3 10 -12 4505.87 1931.30 2 3 10 -12 816.398 744.016 5 3 10 -11 574.657 211.488 2 3 10 -11 1381.08 668.144 5 3 10 -10 2907.45 712.675 2 3 10 -10 2861.67 1081.28 5 -3 10 9 4226.11 1750.39 2 3 10 -9 1468.32 923.921 2 3 10 -9 2310.27 1060.96 5 3 10 -8 2530.43 976.915 2 -3 10 8 4471.28 1835.55 2 3 10 -8 2573.68 1231.66 5 -3 10 7 7363.92 2122.61 2 3 10 -7 9005.99 2231.41 5 -3 10 6 2592.47 1303.89 2 3 10 -6 2242.76 1087.19 5 -3 10 5 10218.3 2215.28 2 3 10 -5 7567.17 1868.77 5 -3 10 4 1523.48 1120.50 2 3 10 -4 2803.29 1117.18 5 -3 10 3 237.038 622.503 2 3 10 -3 444.406 352.270 5 -3 10 2 1235.22 585.948 2 3 10 -2 2590.32 995.888 5 -3 10 1 3172.09 1064.76 2 3 10 -1 3129.37 785.090 5 -3 10 0 9352.47 2047.14 2 3 10 0 4326.97 1086.65 5 -3 10 -1 16688.0 2821.56 2 3 10 1 20010.4 2761.85 5 -3 10 -2 6156.67 2385.07 2 3 10 2 8338.72 1855.00 5 -3 10 -3 3355.33 1485.67 2 3 10 3 5207.26 1459.45 5 -3 10 -4 7113.98 1676.10 2 3 10 4 6874.57 1699.96 5 -3 10 -5 3980.87 1251.33 2 3 10 5 7059.63 1834.78 5 -3 10 -6 3753.25 1349.42 2 3 10 6 3773.85 1509.70 5 -3 10 -7 556.324 767.333 2 -3 10 -8 1676.68 1243.51 2 -3 10 -9 497.673 957.267 2 -3 10 -10 2634.77 1536.72 2 -3 10 -11 3688.30 1714.12 2 -3 10 -12 3206.45 1918.14 2 3 11 -11 1460.87 1049.25 5 3 11 -10 297.447 836.272 2 3 11 -10 2230.75 1125.41 5 3 11 -9 1052.80 366.185 2 3 11 -9 1966.03 1068.03 5 3 11 -8-359.766 580.002 2 3 11 -8 7.60353 342.743 5 -3 11 7 1428.49 1480.49 2 3 11 -7-231.872 937.478 2 3 11 -7-149.827 517.277 5 -3 11 6 2531.32 1380.02 2 3 11 -6 759.784 929.518 2 3 11 -6 852.350 482.635 5 -3 11 5 6625.85 1994.32 2 3 11 -5 5896.04 1506.70 5 -3 11 4 7629.45 1846.83 2 3 11 -4 6918.97 1689.42 5 -3 11 3 3617.33 1682.68 2 3 11 -3 1172.09 840.870 5 -3 11 2 8356.53 1932.91 2 3 11 -2 9539.41 1889.82 5 -3 11 1 11602.6 2491.06 2 3 11 -1 11546.3 1973.59 5 -3 11 0 2710.33 1529.16 2 -3 11 -1 2004.47 1035.59 2 -3 11 -2 2659.88 1223.51 2 -3 11 -3 388.482 713.902 2 -3 11 -4 491.105 606.186 2 -3 11 -5-680.521 631.076 2 -3 11 -6 2862.19 1245.80 2 -3 11 -7 1515.67 1123.36 2 -3 11 -8-185.973 693.524 2 -3 11 -9 3077.58 1432.27 2 -3 12 7 4030.37 2209.66 2 -3 12 6 2772.50 1759.98 2 3 12 -6 227.644 803.621 2 -3 12 5 1548.88 1193.01 2 3 12 -5 1398.77 1422.64 2 -3 12 4-1224.89 986.396 2 3 12 -4-561.799 1233.01 2 -3 12 3-40.9499 474.841 2 3 12 -3 128.135 113.128 2 -3 12 2 125.934 581.627 2 -3 12 1 1067.82 807.168 2 -3 12 0 3038.40 1587.80 2 -3 12 -1 1928.51 1743.11 2 -3 12 -2 3700.20 1993.03 2 -3 12 -3 4625.23 1999.85 2 -3 12 -4 1585.82 792.265 2 -3 12 -5 260.602 684.906 2 3 12 8-1627.61 1387.02 2 -3 13 6 3601.68 2025.30 2 -3 13 5 4201.03 2123.27 2 -3 13 4 4469.90 2072.38 2 -3 13 3 8271.62 2620.28 2 -3 13 2 1210.18 1433.86 2 -4 -12 5 1057.52 1403.51 1 -4 -12 4 1114.32 731.907 4 -4 -12 4-255.544 743.283 1 -4 -12 3 3045.61 1663.09 4 -4 -12 3 2769.86 1995.29 1 -4 -12 2 5845.32 2352.53 4 -4 -12 2 6671.74 3129.37 1 -4 -12 1 7060.84 2325.72 4 -4 -12 0 1738.16 1327.31 4 -4 -12 -1-6.14331 391.625 4 -4 -12 -2 1398.18 1206.98 4 -4 -12 -3 4833.50 1924.72 4 -4 -12 -4 3809.30 1941.22 4 4 -12 4 7932.57 3349.11 1 4 -12 5 1476.96 861.813 1 4 -12 6 2826.91 2525.47 1 4 -12 7 2004.65 1903.94 1 -4 -11 11 40.4915 299.896 4 -4 -11 10 187.569 252.302 4 -4 -11 9 481.116 423.578 4 -4 -11 8 1230.19 820.627 4 -4 -11 8 1177.24 584.063 1 -4 -11 7 2501.01 1423.74 4 -4 -11 7-195.022 1190.87 1 -4 -11 6 17327.1 4425.13 1 -4 -11 6 10753.8 2869.31 4 -4 -11 5 1856.61 1288.96 4 -4 -11 5 1995.98 2075.23 1 -4 -11 4 3415.85 1707.75 4 -4 -11 4 2377.76 1521.25 1 -4 -11 3 15895.7 4348.48 1 -4 -11 3 9873.01 2549.75 4 -4 -11 2 1472.79 1272.40 4 -4 -11 2-327.611 950.876 1 -4 -11 1 300.942 604.572 4 -4 -11 1 480.109 926.502 1 -4 -11 0 1702.65 893.950 4 -4 -11 -1 594.786 810.691 4 -4 -11 -2 209.645 233.630 4 -4 -11 -3 2382.69 1485.89 4 -4 -11 -4 10294.2 2829.70 4 4 -11 4 16959.3 4309.57 1 -4 -11 -5 2806.13 1818.74 4 4 -11 5 2467.01 1838.01 1 -4 -11 -6 2502.88 1311.36 4 4 -11 6 2718.42 1537.35 1 -4 -11 -7 7194.66 2626.36 4 4 -11 7 11771.5 3572.45 1 -4 -11 -8 1545.42 1562.26 4 4 -11 8 1318.98 1495.22 1 -4 -11 -9 773.882 1088.87 4 4 -11 9 2229.26 1839.32 1 4 -11 10-719.110 1689.83 1 -4 -11 -10 1233.24 1471.31 4 -4 -11 -11 1051.70 1488.66 4 -4 -10 12 1359.94 1351.86 4 -4 -10 11 3418.30 1509.05 4 -4 -10 10 1399.26 1095.42 4 -4 -10 10 2745.44 1952.50 1 -4 -10 9-62.5356 631.513 4 -4 -10 9 2696.64 1492.51 1 -4 -10 8 5045.74 1801.97 4 -4 -10 8 6322.55 2509.29 1 -4 -10 7 290.323 531.095 4 -4 -10 7 379.070 1005.25 1 -4 -10 6 2295.34 1223.37 4 -4 -10 6 1886.53 771.373 1 -4 -10 5 3438.06 1446.77 1 -4 -10 5 3611.92 1533.32 4 -4 -10 4 934.778 1073.95 4 -4 -10 4 2812.48 1393.86 1 -4 -10 3 2778.23 1430.41 4 -4 -10 3 1013.28 835.756 1 -4 -10 2 1755.75 1125.32 4 -4 -10 2 2420.02 1745.34 1 -4 -10 1 4549.59 2002.62 1 -4 -10 1 3400.09 1529.29 4 -4 -10 0 1974.95 1190.56 4 -4 -10 0 4552.70 1916.32 1 -4 -10 -1 3470.15 1600.55 4 -4 -10 -2 11746.2 2989.10 4 -4 -10 -3 2021.16 1294.54 4 4 -10 3 10201.9 3277.76 1 -4 -10 -4 7728.61 2450.86 4 4 -10 4 11240.7 3156.99 1 4 -10 5 3102.46 1844.10 1 -4 -10 -5 3773.38 1668.55 4 -4 -10 -6 604.262 772.801 4 4 -10 6 2032.51 1570.25 1 -4 -10 -7 258.577 294.381 4 4 -10 7 1269.51 1187.95 1 4 -10 8 1968.95 491.150 1 -4 -10 -8 2075.66 1209.13 4 -4 -10 -9 2231.74 1278.50 4 4 -10 9 2962.46 1992.66 1 -4 -10 -10 2253.45 1602.00 4 4 -10 10-268.205 973.450 1 -4 -10 -11 1713.79 1373.15 4 4 -10 11 2730.73 2182.40 1 -4 -10 -12 2709.66 1635.32 4 4 -10 12 5103.27 2611.67 1 -4 -9 13 544.981 679.902 4 -4 -9 12 3137.60 1553.16 4 -4 -9 11 737.921 987.251 4 -4 -9 10 410.152 490.634 4 -4 -9 9 5627.28 1794.63 4 -4 -9 9 5926.14 2502.45 1 -4 -9 8 2868.73 1186.30 4 -4 -9 8 5602.05 2299.50 1 -4 -9 7-679.842 901.782 4 -4 -9 7-503.387 962.633 1 -4 -9 6 879.093 989.496 4 -4 -9 6 2196.78 1253.87 1 -4 -9 5 6648.65 1891.79 4 -4 -9 5 6656.78 2487.99 1 -4 -9 4 8453.34 2511.49 1 -4 -9 4 9047.00 2456.86 4 -4 -9 3 4984.03 1813.88 4 -4 -9 3 3999.97 1750.77 1 -4 -9 2 3918.00 1543.70 4 -4 -9 2 5787.44 2095.74 1 -4 -9 1 4844.49 1577.72 4 -4 -9 1 8499.78 2447.46 1 -4 -9 0 2636.92 1312.21 4 -4 -9 0 4496.69 1804.61 1 -4 -9 -1 8807.94 2313.41 4 -4 -9 -2 4335.06 1689.44 4 4 -9 2 10742.5 3655.70 1 -4 -9 -2 8180.92 2247.90 5 4 -9 3 3070.93 1978.13 1 -4 -9 -3 255.166 527.584 4 -4 -9 -3 2274.44 1332.20 5 -4 -9 -4 390.388 426.627 4 4 -9 4 1059.13 1262.56 1 -4 -9 -5 14603.3 3197.01 4 -4 -9 -5 18979.9 2509.35 3 4 -9 5 17960.6 3787.14 1 -4 -9 -6 7901.29 2304.13 4 4 -9 6 12224.8 3213.57 1 -4 -9 -6 13089.8 2361.90 3 4 -9 7 10318.4 2927.31 1 -4 -9 -7 8880.70 2703.87 4 -4 -9 -7 13345.8 2642.26 3 -4 -9 -8 4995.77 2286.96 4 4 -9 8 6345.23 2563.07 1 -4 -9 -8 6243.61 1846.08 3 -4 -9 -9 621.311 128.978 4 4 -9 9 303.504 646.886 1 -4 -9 -9 1182.46 1090.11 3 -4 -9 -10 1467.63 1146.79 4 4 -9 10 2712.76 1424.11 1 -4 -9 -10 1951.16 1296.41 3 -4 -9 -11 920.426 609.264 4 4 -9 11-129.060 930.035 1 -4 -9 -11 476.777 317.967 3 -4 -9 -12-806.201 878.489 4 4 -9 12 1078.74 1513.28 1 4 -9 13 1878.06 1759.70 1 4 -9 14 1272.32 1449.32 1 4 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30398.6 3437.61 4 4 -4 -10 22680.0 2042.30 2 4 -4 -10 30914.0 4582.61 3 -4 -4 9 21510.2 2989.23 4 4 -4 -9 17090.0 1988.97 2 4 -4 -9 22521.0 3739.20 3 -4 -4 8 7588.56 1752.16 4 4 -4 -8 9193.56 1481.81 2 4 -4 -8 7220.64 2112.06 3 -4 -4 7 239.825 202.129 3 -4 -4 7 536.164 622.163 4 4 -4 -7 661.110 502.228 3 4 -4 -7 916.451 757.542 2 4 -4 -7 607.907 473.396 5 4 -4 -6 3586.04 895.061 2 -4 -4 6 3447.42 917.288 3 -4 -4 6 2901.45 1143.20 4 4 -4 -6 2584.42 875.711 5 -4 -4 5 1188.40 586.094 3 4 -4 -5-101.544 360.544 2 -4 -4 5 1274.82 910.497 4 4 -4 -5 1408.19 584.299 5 4 -4 -4 13633.2 1949.41 5 4 -4 -4 10650.3 1476.87 2 -4 -4 4 12654.5 1548.62 3 4 -4 -3 903.772 330.236 2 -4 -4 3 1506.74 459.386 3 -4 -4 2 51241.4 3132.25 3 4 -4 -2 47388.7 3228.83 2 4 -4 -2 47098.6 3452.22 5 -4 -4 2 46561.2 3800.26 1 4 -4 -1 22144.7 2242.50 5 -4 -4 1 18105.0 2207.68 1 4 -4 0 9298.21 1418.26 5 -4 -4 0 6253.08 1220.65 1 -4 -4 -1 24735.3 2633.60 1 4 -4 1 23901.4 2349.31 5 4 -4 1 21884.8 2339.89 2 4 -4 2 40667.2 3354.78 1 4 -4 2 40895.5 3250.38 5 4 -4 2 40462.6 3187.90 2 4 -4 3 16917.4 2349.24 5 -4 -4 -3 17599.0 2769.50 5 4 -4 3 15437.6 2208.01 1 4 -4 3 15673.9 2033.61 2 4 -4 4 4084.72 817.096 2 -4 -4 -4 5745.73 1657.59 4 4 -4 4 6423.67 1480.70 1 4 -4 4 5965.15 1527.56 5 -4 -4 -4 6716.72 1770.37 5 4 -4 5 4050.91 993.887 2 -4 -4 -5 5807.99 1502.71 4 -4 -4 -5 4617.92 1530.52 5 4 -4 6 2148.61 1062.79 2 -4 -4 -6 2124.48 952.634 4 -4 -4 -6 2869.33 1358.38 5 4 -4 7 2449.96 1175.51 2 -4 -4 -7 1343.53 762.890 4 -4 -4 -7 516.208 314.068 5 -4 -4 -8 31624.1 3888.57 4 -4 -4 -8 31896.9 5555.80 3 -4 -4 -9 966.642 474.688 3 -4 -4 -9 155.302 578.568 4 -4 -4 -10 2450.56 1721.76 3 -4 -4 -10 2296.35 1047.43 4 -4 -4 -11 10883.4 3627.35 3 -4 -4 -11 11938.5 2428.21 4 -4 -4 -12 17374.9 2802.20 4 -4 -4 -12 17484.2 4686.80 3 -4 -4 -13 14272.4 2522.46 4 -4 -4 -13 16992.6 4814.46 3 -4 -4 -14 5777.90 2965.81 3 -4 -4 -15 1741.67 1740.65 3 -4 -4 -16 728.023 1446.10 3 -4 -4 -17 140.545 1518.03 3 4 -3 -17 1044.85 1535.64 3 4 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1776.08 5 -4 6 3 9708.97 2129.82 1 -4 6 3 8033.32 2132.82 3 4 6 -3 7414.88 1933.49 5 -4 6 2 18506.4 3270.98 3 -4 6 2 17304.8 1960.50 2 -4 6 2 19659.2 2957.42 1 4 6 -2 17288.0 2928.56 5 -4 6 1 14038.6 2720.75 3 -4 6 1 18681.0 2094.70 2 4 6 0 34887.4 3964.32 5 -4 6 0 31005.3 2611.34 2 -4 6 0 37238.7 2372.20 5 -4 6 -1 22878.6 2153.61 5 4 6 1 19408.7 2869.11 5 -4 6 -1 26149.7 2564.62 2 4 6 2 19235.8 2996.37 5 -4 6 -2 22632.2 2496.58 5 -4 6 -2 18132.2 2203.28 2 4 6 3 21301.2 3069.84 5 -4 6 -3 23098.6 2642.34 5 -4 6 -3 20097.7 2293.87 2 4 6 3 16923.5 2596.55 1 -4 6 -4 8424.56 1594.61 2 4 6 4 9119.40 2034.81 5 4 6 4 7823.99 1879.10 1 -4 6 -4 9067.29 1654.91 5 4 6 5 7355.52 1942.84 5 -4 6 -5 6234.57 1528.79 2 -4 6 -5 6489.58 1416.60 5 4 6 5 6204.17 1533.55 1 4 6 6 43585.2 4729.44 5 -4 6 -6 38527.9 4388.13 5 -4 6 -6 30114.3 3022.58 2 4 6 6 33874.6 4088.95 1 -4 6 -7 5651.77 1522.45 2 4 6 7 6530.39 1953.14 5 -4 6 -7 7627.71 2005.44 5 -4 6 -8 3380.14 1548.67 5 4 6 8 2702.16 1377.62 5 4 6 9 10445.8 2536.60 5 -4 6 -15 724.443 1371.44 3 -4 6 -16 1102.75 1861.57 3 4 7 -15 2182.10 1077.07 2 4 7 -14 278.526 810.891 2 4 7 -13-800.287 1003.94 2 4 7 -12 3968.64 1619.18 3 4 7 -12 1692.64 1332.77 5 4 7 -11 5333.62 1576.45 3 4 7 -11 5609.56 2318.21 5 4 7 -10 426.029 511.723 3 4 7 -10 266.738 873.242 5 4 7 -9 1095.20 611.615 3 4 7 -9-80.7371 930.446 5 4 7 -8 18279.6 3335.09 5 4 7 -7 17129.7 3177.85 5 4 7 -6 4938.95 1625.45 5 4 7 -5 15136.9 2909.68 5 -4 7 4 10636.8 1785.46 2 4 7 -4 14063.8 2868.23 5 -4 7 3 16759.3 2116.77 2 4 7 -3 17720.3 3142.61 5 -4 7 3 22401.9 3461.87 1 -4 7 2 15102.6 3124.73 3 -4 7 2 14699.4 2807.41 1 4 7 -2 12207.2 2498.45 5 -4 7 2 15244.2 2116.10 2 -4 7 1 6062.53 2046.35 1 -4 7 1 9835.66 1831.17 2 -4 7 1 4453.54 2020.54 3 4 7 -1 4687.01 1567.22 5 -4 7 0 211.836 851.127 3 4 7 0-479.675 698.070 5 -4 7 -1 2203.86 974.741 2 4 7 1 302.282 545.342 5 -4 7 -1 1940.77 590.012 5 -4 7 -2 13064.9 2010.43 2 -4 7 -2 11302.1 1525.91 5 4 7 2 11300.6 2242.87 5 -4 7 -3 13256.7 1935.22 5 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2997.55 1159.56 2 4 8 -3 915.548 593.494 5 -4 8 2 12094.4 1950.87 2 4 8 -2 11315.8 2506.40 5 -4 8 1 16921.0 2401.59 2 4 8 -1 11671.7 2330.34 5 -4 8 0 13441.5 2253.95 2 4 8 0 8213.53 1883.41 5 -4 8 -1 9487.13 2075.99 2 4 8 1 5921.50 1547.01 5 -4 8 -2 8793.30 2006.08 2 4 8 2 10610.8 2176.38 5 -4 8 -2 6984.54 864.931 5 -4 8 -3 4251.91 1497.81 2 4 8 3 2631.02 1063.48 5 -4 8 -3 2963.66 796.907 5 -4 8 -4 3161.71 1236.58 2 4 8 4 3463.00 1282.63 5 -4 8 -4 3846.07 1044.10 5 -4 8 -5 4253.22 1592.48 2 4 8 5 6673.05 1928.93 5 -4 8 -5 5265.91 1298.07 5 -4 8 -6 1929.94 1315.38 2 4 8 6 1060.50 784.026 5 -4 8 -6-513.098 625.618 5 4 8 7 1971.02 1169.45 5 -4 8 -7 2151.33 1252.27 2 -4 8 -7 700.562 396.368 5 4 8 8 6125.80 2135.03 5 -4 8 -8 5534.34 1798.95 2 4 8 9 1435.86 1491.13 5 -4 8 -9 2309.63 1439.76 2 -4 8 -10 6241.86 1789.90 2 -4 8 -15-148.045 707.661 3 4 9 -14 942.717 1161.59 2 4 9 -14 3380.44 1754.98 5 4 9 -13-430.520 761.726 2 4 9 -13 1199.52 1077.15 5 4 9 -12 1801.96 1041.69 2 4 9 -12 1506.48 1260.24 5 4 9 -11 1243.71 829.597 5 4 9 -10 1400.13 895.028 5 4 9 -9 4205.84 1432.31 5 4 9 -8 4665.69 1613.67 5 4 9 -7 1328.60 1086.83 5 -4 9 6 3585.65 1496.57 2 4 9 -6 1695.36 1025.60 5 -4 9 5 3679.79 1506.43 2 4 9 -5 3408.39 1293.27 5 -4 9 4 7516.27 1816.79 2 4 9 -4 7522.52 2080.09 5 4 9 -3 4291.28 1626.99 5 -4 9 3 5504.54 1718.46 2 -4 9 2 7424.88 1883.34 2 4 9 -2 3434.61 1355.13 5 -4 9 1 10394.1 1994.69 2 4 9 -1 8675.94 2083.37 5 -4 9 0 10227.5 2165.28 2 4 9 0 2007.91 911.423 5 -4 9 -1 10990.2 2232.86 2 4 9 1 8015.81 1792.33 5 -4 9 -2 8092.44 2298.13 2 4 9 2 4895.54 1377.53 5 -4 9 -3 3200.66 1401.98 2 4 9 3 3124.04 1335.91 5 -4 9 -4 1871.04 1254.42 2 4 9 4-55.7016 542.947 5 4 9 5 17182.4 3120.44 5 -4 9 -5 13076.7 2506.72 2 4 9 6 10279.5 2454.47 5 -4 9 -6 6807.38 2032.68 2 4 9 7 10461.4 2665.87 5 -4 9 -7 8041.88 2090.14 2 -4 9 -8 5455.34 1858.38 2 4 9 8 3450.00 1565.48 5 -4 9 -9 2089.67 1491.73 2 -4 9 -10 5612.46 2128.15 2 -4 9 -11 3875.88 1837.82 2 -4 9 -14 940.470 1396.29 3 4 10 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359.274 233.863 5 -4 10 -7 3038.05 1666.82 2 -4 10 -8 3126.71 1465.68 2 -4 10 -9 4579.81 2036.25 2 -4 10 -10 2339.06 1680.31 2 -4 10 -11 5451.53 2077.43 2 4 11 -11-910.122 822.648 5 4 11 -10 256.583 250.384 5 4 11 -9 194.185 1405.93 2 4 11 -9-54.1362 603.903 5 4 11 -8-157.986 325.662 5 -4 11 7 4289.09 1953.24 2 4 11 -7 2304.04 1240.75 5 -4 11 6 12899.2 2958.83 2 4 11 -6 9171.66 2257.74 5 -4 11 5 7766.36 2417.68 2 4 11 -5 2248.46 1121.33 5 -4 11 4 6796.74 2139.59 2 4 11 -4 862.121 489.332 5 4 11 -3 13980.6 2638.65 5 -4 11 3 15174.1 2959.54 2 -4 11 2 5908.17 2496.14 2 4 11 -2 166.043 363.171 5 -4 11 1 4062.05 1859.72 2 4 11 -1 972.444 656.964 5 -4 11 0 2948.58 1457.94 2 4 11 0 1665.50 889.283 5 -4 11 -1 2103.82 1251.10 2 4 11 1-37.9308 458.706 5 -4 11 -2 891.691 1175.68 2 4 11 2 922.124 770.016 5 -4 11 -3 5242.93 1869.42 2 -4 11 -4 9489.80 2443.20 2 -4 11 -5 2830.93 1655.07 2 -4 11 -6 4407.81 1893.77 2 -4 11 -7 4521.34 1764.58 2 -4 12 7 8813.10 2577.60 2 -4 12 6 3245.47 1786.45 2 -4 12 5 2633.05 1779.58 2 -4 12 4 2376.44 1659.91 2 -4 12 3 9195.05 2465.71 2 -4 12 2 9911.66 2713.36 2 -4 12 1 8930.17 2521.81 2 -4 12 0 8017.90 2540.68 2 -4 12 -1 7145.34 2285.65 2 -4 12 -2 5144.28 2125.40 2 -4 12 -3 4452.98 2163.39 2 -5 -12 3 9092.51 3525.07 1 -5 -12 2 4967.57 2991.87 1 5 -12 6 3154.16 1744.07 1 5 -12 7 11058.0 3842.92 1 -5 -11 9 477.289 1013.23 4 -5 -11 8 2216.70 1485.68 4 -5 -11 7 8596.68 3378.95 1 -5 -11 7 6646.43 2316.66 4 -5 -11 6 1736.27 1240.33 4 -5 -11 6-268.380 1345.63 1 -5 -11 5 4492.31 1779.75 4 -5 -11 5 3319.81 1973.05 1 -5 -11 4 748.288 1118.37 4 -5 -11 4 1476.24 2394.93 1 -5 -11 3-787.053 1096.72 4 -5 -11 3 868.726 1572.99 1 -5 -11 2 723.942 697.115 4 -5 -11 2 1814.06 1736.04 1 -5 -11 1 919.948 759.384 4 -5 -11 1-401.014 355.059 1 -5 -11 0 624.469 848.661 4 -5 -11 -1 3537.95 1762.71 4 -5 -11 -2 3586.33 1669.65 4 -5 -11 -3 1861.31 1439.19 4 -5 -11 -4 1781.64 1111.83 4 -5 -11 -5 2662.75 1702.66 4 5 -11 5 1167.75 1021.11 1 5 -11 6 2412.27 1783.25 1 -5 -11 -6 2878.11 1789.98 4 -5 -11 -7 4314.64 2316.21 4 5 -11 7 5968.87 3029.75 1 -5 -11 -8 2742.43 2026.11 4 5 -11 8 3061.02 2580.84 1 -5 -11 -9 872.419 825.355 4 5 -11 9 83.7966 916.697 1 5 -11 10 1065.50 983.113 1 -5 -10 12 6297.93 2092.91 4 -5 -10 11 327.194 524.116 4 -5 -10 10 4490.69 1889.46 4 -5 -10 10 5446.14 2633.23 1 -5 -10 9-437.171 461.181 4 -5 -10 9 3186.06 1776.22 1 -5 -10 8-1363.58 37.1732 4 -5 -10 8 1920.45 1946.03 1 -5 -10 7 183.668 713.329 4 -5 -10 7 1027.33 1918.08 1 -5 -10 6 5156.77 2216.34 4 -5 -10 6 6131.63 2702.36 1 -5 -10 5 264.230 389.049 1 -5 -10 5-593.610 704.965 4 -5 -10 4 3419.75 1732.89 4 -5 -10 4 2223.03 1693.34 1 -5 -10 3 2889.98 1505.91 4 -5 -10 3 5402.49 2555.58 1 -5 -10 2 5412.23 2149.84 4 -5 -10 2 4833.12 2280.41 1 -5 -10 1 5551.84 2312.12 4 -5 -10 1 10551.5 3021.99 1 -5 -10 0 16199.3 3727.28 4 -5 -10 -1 4772.17 2001.98 4 -5 -10 -2-1050.00 1118.48 4 -5 -10 -3 71.3706 759.303 4 -5 -10 -4 2520.77 1569.06 4 5 -10 4 4531.98 2252.13 1 5 -10 5 2421.51 1375.58 1 -5 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1252.75 4 -5 -9 -2 3361.39 1647.57 4 -5 -9 -3 8135.03 2443.24 4 -5 -9 -4 6499.86 2292.46 4 5 -9 4 8828.74 2709.05 1 -5 -9 -5 3114.50 1694.33 4 5 -9 5 5788.34 2248.62 1 -5 -9 -6 1936.52 1590.83 4 5 -9 6 1119.10 697.393 1 -5 -9 -7 535.171 421.471 4 5 -9 7-522.125 933.876 1 5 -9 8 40.1386 681.161 1 -5 -9 -8 1365.69 1432.96 4 -5 -9 -9 136.203 1041.41 4 5 -9 9 416.392 951.294 1 -5 -9 -10 2250.12 1833.76 4 5 -9 10 921.483 378.019 1 -5 -9 -11 3388.15 2141.47 4 5 -9 11 2378.71 1837.10 1 -5 -9 -12 2142.14 1144.56 4 5 -9 12 3196.87 1651.35 1 5 -9 13 1896.57 1568.34 1 -5 -8 13 669.091 850.678 4 -5 -8 12 2136.80 1193.11 4 -5 -8 11 7951.15 2221.02 4 -5 -8 10 1064.81 918.105 4 -5 -8 9 2087.62 1161.51 4 -5 -8 8 246.599 517.997 4 -5 -8 7 3173.40 874.208 4 -5 -8 7 7831.14 2958.40 1 -5 -8 6 7227.12 2240.08 4 -5 -8 6 10108.4 3119.31 1 -5 -8 5 7989.49 2016.10 4 -5 -8 5 13125.3 3606.75 1 -5 -8 4 10502.7 2660.61 4 -5 -8 4 12042.5 3207.05 1 -5 -8 3 5889.88 2306.77 1 -5 -8 3 2575.07 1331.95 4 -5 -8 2 1715.19 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324.981 843.589 5 5 10 -12 3080.70 1579.28 5 5 10 -11 199.705 582.175 5 5 10 -10 3064.97 1477.92 5 5 10 -9 362.367 887.374 5 5 10 -8 576.368 1180.76 5 5 10 -7-559.762 478.391 5 5 10 -6 2421.81 935.349 5 5 10 -5 351.537 678.791 5 5 10 -4 2120.57 1212.93 5 -5 10 3 9304.49 2191.02 2 5 10 -3 3661.80 1652.23 5 -5 10 2 10650.2 2268.15 2 5 10 -2 8438.88 2336.74 5 -5 10 1 17132.8 3075.10 2 5 10 -1 4551.99 1686.73 5 -5 10 0 21529.1 3144.11 2 5 10 0 14619.8 2775.13 5 -5 10 -1 13048.5 2709.26 2 5 10 1 7136.21 2025.26 5 -5 10 -2 4730.84 1941.90 2 5 10 2-413.879 81.1667 5 -5 10 -3 3278.32 1600.47 2 5 10 3 724.637 1073.78 5 5 10 4 3996.19 1478.52 5 -5 10 -4 7400.54 2088.75 2 5 10 5 283.603 772.171 5 -5 10 -5 4071.33 1744.57 2 5 10 6-631.255 813.731 5 -5 10 -6 7367.54 2520.12 2 5 10 7 890.797 893.839 5 -5 10 -7 4522.35 1982.66 2 5 10 8 8084.42 2643.25 5 5 10 9 3522.12 1879.96 5 5 11 -10 425.316 430.835 5 5 11 -9 1544.96 816.155 5 5 11 -8 2206.67 1451.68 5 5 11 -7 4038.34 1688.05 5 5 11 -6 924.636 603.533 5 5 11 -5 2439.56 1340.35 5 5 11 -4-436.511 247.296 5 -5 11 3 5782.09 2026.11 2 5 11 -3 1220.97 914.988 5 -5 11 2 5674.49 1902.87 2 5 11 -2-111.975 381.728 5 -5 11 1 6352.97 2021.72 2 5 11 -1-384.451 556.244 5 -5 11 0 5945.25 2233.74 2 5 11 0 756.458 373.171 5 -5 11 -1 5755.77 1915.16 2 5 11 1 2087.68 1020.71 5 -5 11 -2 7298.75 2008.29 2 5 11 2 4024.91 1476.14 5 -5 11 -3 5331.77 1948.56 2 5 11 3 3077.70 1371.22 5 -5 11 -4 2869.01 1711.87 2 -5 11 -5 4522.13 1702.52 2 -5 12 3 8891.76 2771.23 2 -5 12 2 8022.90 2549.77 2 -5 12 1 7452.59 2539.82 2 -6 -12 2 1419.33 1981.73 1 -6 -11 6-178.229 1495.80 1 -6 -11 5 1334.26 1526.64 1 -6 -11 4-1922.57 1975.30 1 -6 -11 3 4989.96 2820.12 1 -6 -11 2 3903.82 2282.69 1 6 -11 6 2706.49 2483.61 1 6 -11 7 1551.84 1560.00 1 -6 -10 11 1523.91 1460.58 4 -6 -10 10 1.91896 447.039 4 -6 -10 9-328.079 563.728 4 -6 -10 9-1333.85 2151.78 1 -6 -10 8 4681.15 2383.97 4 -6 -10 8 13027.2 4914.14 1 -6 -10 7 2875.92 1747.23 4 -6 -10 7 3782.55 2737.78 1 -6 -10 6 4734.10 3051.94 1 -6 -10 6 2877.37 1899.55 4 -6 -10 5 8569.98 3056.60 4 -6 -10 5 9156.75 3602.00 1 -6 -10 4 8218.88 2811.14 4 -6 -10 4 8730.89 3412.29 1 -6 -10 3 7638.65 3015.80 1 -6 -10 3 3114.34 1932.33 4 -6 -10 2 3992.87 1892.04 4 -6 -10 2 5131.66 2226.62 1 -6 -10 1 5270.64 2452.52 4 -6 -10 1 5934.59 2419.69 1 -6 -10 0 3075.71 1481.16 4 -6 -10 -1 1884.50 1774.24 4 -6 -10 -2 4744.00 2143.36 4 -6 -10 -3 1360.22 1009.41 4 -6 -10 -4 3421.86 1963.66 4 -6 -10 -5 1572.55 1508.99 4 -6 -10 -6 2983.44 2020.64 4 6 -10 6 2482.15 1884.31 1 -6 -10 -7 1788.36 1405.41 4 6 -10 7 2858.28 1955.35 1 6 -10 8-328.521 1051.19 1 -6 -10 -8-767.717 1177.58 4 -6 -10 -9 2497.10 1488.94 4 6 -10 9 301.635 1520.07 1 -6 -10 -10 303.098 846.424 4 -6 -9 12 3708.38 1780.56 4 -6 -9 11 3188.55 1688.49 4 -6 -9 10 3524.45 1778.05 4 -6 -9 10 727.957 472.542 1 -6 -9 9 5760.40 2380.11 4 -6 -9 9 38308.3 8164.47 1 -6 -9 8 6903.74 2742.96 4 -6 -9 8 10256.7 3931.81 1 -6 -9 7 1268.75 785.379 4 -6 -9 7 2994.66 2002.24 1 -6 -9 6 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-8 2 3753.14 2242.60 4 -7 -8 2 3836.30 1553.46 1 -7 -8 1 1646.12 1353.41 4 -7 -8 1 4769.67 1742.18 1 -7 -8 0 6887.05 2638.67 4 -7 -8 -1 7426.92 2509.67 4 -7 -8 -2 4126.38 2127.43 4 -7 -8 -3 4149.16 2052.48 4 -7 -8 -4 2116.07 1514.34 4 -7 -8 -5 2204.98 1380.49 4 7 -8 6 2538.44 1319.46 1 -7 -8 -6 917.535 1030.16 4 -7 -8 -7-51.2577 341.438 4 -7 -8 -8-675.971 837.687 4 -7 -8 -9 116.203 1049.03 4 -7 -8 -10-2132.87 1934.19 4 -7 -8 -11 3080.32 2228.29 4 -7 -7 12 4762.25 1989.57 4 -7 -7 11 6129.95 2222.00 4 -7 -7 10-565.647 259.508 4 -7 -7 9 5020.19 2402.22 4 -7 -7 8 347.224 654.156 4 -7 -7 7 890.110 611.509 1 -7 -7 7 2287.50 1779.98 4 -7 -7 6 3690.40 2317.81 4 -7 -7 6 2136.48 573.117 1 7 -7 -6 2771.99 1237.23 5 -7 -7 5-55.8940 481.539 4 -7 -7 5 2203.82 1840.76 1 7 -7 -5 831.319 562.956 5 -7 -7 4 1347.80 1361.72 4 7 -7 -4 1550.00 651.464 5 -7 -7 4 3018.53 1429.14 1 -7 -7 3 18787.1 3308.64 1 -7 -7 3 26299.4 5704.04 4 7 -7 -3 11203.5 1926.82 5 -7 -7 2 19681.6 3325.58 1 7 -7 -2 13319.1 2208.84 5 -7 -7 1 18730.3 3004.28 1 7 -7 -1 12465.4 2028.75 5 -7 -7 0 18515.0 4173.81 4 7 -7 0 9019.69 1719.77 5 -7 -7 -1 8966.76 2965.67 4 7 -7 1 7817.94 1683.62 5 -7 -7 -2 3923.66 1859.67 4 7 -7 2 4116.31 1485.55 5 -7 -7 -3 882.863 697.073 4 7 -7 3 1280.25 704.865 5 -7 -7 -4 4590.81 2108.96 4 -7 -7 -4 4258.93 1669.50 3 -7 -7 -5 138.531 469.852 3 -7 -7 -5 763.133 1025.09 4 7 -7 6 6576.92 1845.84 1 -7 -7 -6 10664.5 2857.09 3 -7 -7 -6 8632.43 2774.89 4 7 -7 7 3456.39 1510.88 1 -7 -7 -7 4767.45 1862.37 3 -7 -7 -7 4542.50 1797.05 4 -7 -7 -8 3366.84 1689.01 3 -7 -7 -8 3269.46 1745.31 4 -7 -7 -9 3735.73 1816.59 3 -7 -7 -9 2432.84 1255.12 4 -7 -7 -10 1519.22 1533.39 3 -7 -7 -10 2649.70 1515.03 4 -7 -7 -11 301.815 716.506 3 -7 -7 -11-1243.89 1500.65 4 -7 -7 -12 2979.90 1826.59 3 -7 -7 -12 307.030 661.694 4 -7 -6 13 126.325 592.076 4 -7 -6 12 192.200 295.816 4 -7 -6 11 5523.60 1894.25 4 7 -6 -11 6039.81 1946.13 5 -7 -6 10 1931.86 1240.22 4 7 -6 -10 1276.48 1005.58 5 -7 -6 9 23881.0 4907.43 4 7 -6 -9 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804.200 1 7 -6 8 261.764 269.415 1 -7 -6 -8 2231.37 1314.24 3 -7 -6 -8 2260.47 1393.45 4 -7 -6 -9-210.969 784.802 3 -7 -6 -9 834.586 101.840 4 -7 -6 -10 884.804 1365.95 3 -7 -6 -10 911.983 1082.19 4 -7 -6 -11 3743.18 2348.61 3 -7 -6 -11 6521.99 2192.89 4 -7 -6 -12 42.6296 771.662 3 -7 -6 -12 362.411 517.719 4 -7 -6 -13 1750.37 1532.84 3 -7 -6 -14 484.046 850.687 3 7 -5 -15 89.3224 285.826 5 7 -5 -14 5153.30 2140.50 5 -7 -5 13 1871.29 1297.43 4 7 -5 -13 1603.41 1182.30 5 -7 -5 12 6208.43 2217.52 4 7 -5 -12 6670.37 2240.31 5 -7 -5 11 5274.83 1990.46 4 7 -5 -11 5043.55 1788.13 5 -7 -5 10 2952.79 1699.26 4 7 -5 -10 1744.57 1245.11 5 -7 -5 9 3502.93 2296.33 4 7 -5 -9 1440.17 971.340 5 -7 -5 8 2399.19 1900.47 4 7 -5 -8-642.518 863.881 5 7 -5 -7-533.102 615.706 5 7 -5 -6 4438.62 1509.08 5 -7 -5 6 6680.64 1631.33 3 7 -5 -5 8357.06 2027.82 5 -7 -5 4 10920.2 2440.51 1 7 -5 -4 7164.37 2000.65 5 7 -5 -3 2946.85 1101.15 5 -7 -5 3 9324.03 2069.52 1 7 -5 -2 14359.7 2465.25 5 -7 -5 2 21752.1 2827.37 1 7 -5 -1 13058.0 2397.04 5 7 -5 0 15285.0 2486.76 5 7 -5 1 14290.6 2446.77 5 7 -5 2 4087.26 1412.47 5 7 -5 3 2713.87 1100.16 5 7 -5 4 2476.62 1105.71 5 7 -5 5 8615.67 2160.72 5 7 -5 6 194.206 485.035 1 7 -5 6 327.295 788.813 5 7 -5 7 378.066 334.658 1 -7 -5 -7 766.730 607.911 4 -7 -5 -8 8296.64 2206.77 4 7 -5 8 4649.80 1273.89 1 -7 -5 -9 8137.75 2045.05 4 7 -5 9 5022.00 1487.97 1 -7 -5 -10 8677.47 3480.62 3 -7 -5 -10 7619.67 2108.11 4 -7 -5 -11 3923.96 2077.75 3 -7 -5 -11 3700.09 1668.85 4 -7 -5 -12 2919.32 1828.20 3 -7 -5 -12 4011.13 1684.08 4 -7 -5 -13 538.369 607.599 3 -7 -5 -14 2885.68 2350.00 3 7 -4 -16 2060.03 1535.13 5 7 -4 -15 2064.15 1743.46 5 7 -4 -14 1592.29 1235.40 5 -7 -4 13 216.697 957.551 4 7 -4 -13-22.5021 279.349 5 -7 -4 12 4457.33 1738.46 4 7 -4 -12 816.265 1074.19 5 -7 -4 11 1444.54 1726.67 4 7 -4 -11 288.990 536.438 5 7 -4 -10 5809.06 1972.35 5 7 -4 -9 6016.19 1763.92 5 -7 -4 8 2756.91 1209.32 3 7 -4 -8 2344.45 1196.36 5 7 -4 -7 4827.47 1494.49 5 -7 -4 7 6524.33 1793.63 3 7 -4 -6 7151.17 1837.61 5 -7 -4 6 10902.0 2236.25 3 -7 -4 5 11191.5 2323.12 3 7 -4 -5 7600.24 1980.53 5 -7 -4 4 8040.85 1933.78 3 7 -4 -4 6175.32 1786.03 5 -7 -4 3 15590.7 2671.52 3 7 -4 -3 13848.3 2678.37 5 -7 -4 2 7144.58 1976.49 3 7 -4 -2 4730.12 1785.30 5 -7 -4 1 12202.1 1849.36 1 -7 -4 1 7909.21 1813.90 3 7 -4 -1 6686.87 1735.60 5 7 -4 0 16901.6 2751.28 5 7 -4 1 11394.7 2339.61 5 7 -4 2 18259.5 2954.14 5 7 -4 3 6798.55 2094.95 5 7 -4 4 4996.83 1484.46 5 7 -4 5 19830.7 3549.10 5 7 -4 6 10042.2 1485.64 1 7 -4 6 8995.72 2313.14 5 7 -4 7 4736.67 1043.31 1 7 -4 7 6386.26 2073.04 5 7 -4 8 1597.03 1176.72 5 7 -4 8 1298.25 680.392 1 7 -4 9 2260.54 910.885 1 -7 -4 -10 4694.96 1565.67 4 -7 -4 -11 2267.60 1327.93 4 -7 -4 -11 2098.96 1674.26 3 -7 -4 -12 2706.81 2114.42 3 -7 -4 -12 2432.64 1301.18 4 -7 -4 -13 3329.56 1988.76 3 -7 -4 -14 10243.8 4238.40 3 7 -3 -16 1071.72 872.179 5 7 -3 -15 1277.83 1095.43 5 7 -3 -14 2233.82 1536.61 5 7 -3 -13 3940.65 1783.04 5 7 -3 -12 6892.44 2308.22 5 7 -3 -11 5054.33 1992.72 5 7 -3 -10 9827.59 2680.14 5 7 -3 -9 1098.81 751.019 2 7 -3 -9-82.3661 392.344 5 7 -3 -8 50.6136 424.700 5 -7 -3 7 15812.5 2817.12 3 7 -3 -7 10413.7 2439.18 5 7 -3 -6 4470.42 1502.74 5 -7 -3 6 4615.71 1513.45 3 -7 -3 5 504.960 515.817 3 7 -3 -5 657.687 576.937 5 -7 -3 4 10581.2 2297.18 3 7 -3 -4 9521.55 2114.31 5 -7 -3 3 29437.6 4019.00 3 7 -3 -3 28567.2 4047.58 5 -7 -3 3 31706.4 3138.88 1 -7 -3 2 34124.5 4147.00 3 7 -3 -2 28083.3 4301.24 5 -7 -3 2 32148.0 2847.51 1 7 -3 -1 19865.7 3223.70 5 -7 -3 1 36998.0 2934.95 1 7 -3 0 32184.1 4028.16 5 7 -3 1 17515.1 2860.87 5 7 -3 2 4656.07 1611.15 5 7 -3 3 4815.03 1647.51 5 7 -3 4 3222.19 1312.83 5 7 -3 5 2175.06 1326.29 5 7 -3 6 2647.81 1055.22 5 7 -3 6 3567.35 760.118 1 7 -3 7 7005.81 2136.33 5 7 -3 7 7670.36 1183.19 1 7 -3 8 22049.0 3954.46 5 7 -3 8 18624.5 2089.91 1 7 -3 9 14461.4 3237.70 5 -7 -3 -12 2014.03 1174.44 4 -7 -3 -13 2283.56 2421.12 3 -7 -3 -14 876.025 1583.99 3 7 -2 -16 2258.40 1876.39 5 7 -2 -15 1739.45 1696.42 3 7 -2 -15 2964.97 1715.10 5 7 -2 -14 1232.89 997.647 5 7 -2 -13 1041.63 1402.54 5 7 -2 -12-203.635 121.284 5 7 -2 -11 2858.95 1500.20 5 7 -2 -10 4694.91 1839.33 5 7 -2 -9 15396.5 3247.04 5 7 -2 -8 3822.67 1544.46 5 7 -2 -7 1724.92 1128.17 5 -7 -2 6 13872.0 2846.32 3 7 -2 -6 10778.8 2478.47 5 -7 -2 5 10013.5 2364.58 3 7 -2 -5 8702.26 2250.25 5 -7 -2 4 14630.2 2793.21 3 7 -2 -4 13056.4 2691.48 5 -7 -2 3 8278.07 2129.09 3 7 -2 -3 4702.33 1890.65 5 -7 -2 2 4129.32 873.596 1 -7 -2 2 3195.43 1358.44 3 7 -2 -2 3845.76 1699.74 5 -7 -2 1 3821.53 816.722 1 7 -2 -1 2694.95 1325.81 5 7 -2 0 3540.19 1462.86 5 7 -2 1 18963.4 3096.46 5 7 -2 2 11220.7 2810.31 5 7 -2 3 23581.1 3689.14 5 7 -2 4 20330.9 3301.77 5 7 -2 5 7490.69 2085.90 5 7 -2 6 10156.3 831.679 1 7 -2 6 13903.3 2939.73 5 7 -2 7 8051.27 2386.49 5 7 -2 7 5825.52 943.046 1 7 -2 8 113.932 646.667 5 7 -2 9 281.447 775.090 5 7 -2 10 4026.07 1942.49 5 -7 -2 -14 2168.86 1789.66 3 7 -1 -16 1556.77 1872.84 3 7 -1 -16 2128.89 908.509 5 7 -1 -15 3672.36 2308.86 3 7 -1 -15 4062.16 2300.32 5 7 -1 -14 3795.21 1720.00 3 7 -1 -14 3707.37 2073.86 5 7 -1 -13 4807.52 2193.83 5 7 -1 -12 3081.63 1572.93 5 7 -1 -11 10745.8 3043.29 5 7 -1 -10 2320.00 1583.40 5 7 -1 -9 1259.98 920.710 5 7 -1 -8 1852.35 1332.52 5 7 -1 -7 3390.08 1547.35 5 7 -1 -6 14349.6 2852.66 5 7 -1 -5-377.743 477.489 5 -7 -1 4 4840.78 1629.08 3 7 -1 -4 4403.01 1425.37 5 -7 -1 3 11694.1 2668.80 3 7 -1 -3 9162.66 2429.07 5 -7 -1 2 25646.3 4005.95 3 7 -1 -2 27961.8 4392.61 5 -7 -1 1 31748.5 1549.26 1 7 -1 -1 42543.3 5188.61 5 7 -1 0 31306.1 4362.22 5 7 -1 1 23821.0 3681.57 5 7 -1 2 6498.83 2074.83 5 7 -1 3 754.073 762.636 5 7 -1 4 4733.68 1859.47 5 7 -1 5 1487.98 895.650 5 7 -1 6 1371.59 900.055 5 7 -1 7 11154.0 2655.25 5 7 -1 8 16411.9 3418.90 5 7 -1 9 2649.60 1477.38 5 7 -1 10 7573.84 2456.00 5 7 0 -16-384.056 914.707 3 7 0 -16 1594.96 1799.17 5 7 0 -15-327.721 399.045 3 7 0 -15 1479.93 1216.94 5 7 0 -14-2028.57 1540.51 3 7 0 -14 44.1739 776.356 5 7 0 -13 2702.65 1896.26 5 7 0 -12 4112.67 1932.36 5 7 0 -11 7289.56 2800.20 5 7 0 -10 3112.06 975.278 5 7 0 -9 3817.65 1559.13 5 7 0 -8 8212.18 2330.68 5 7 0 -7 25716.0 4051.86 5 7 0 -6 16971.0 3325.55 5 7 0 -5 1007.38 550.252 5 7 0 -4 9382.28 2364.47 5 7 0 -3 910.038 922.009 5 -7 0 2 3135.43 1550.43 3 7 0 -2 2185.72 1480.58 5 7 0 -1 9092.72 2364.59 5 7 0 0 7752.34 2252.06 5 7 0 1 14194.2 2895.99 5 7 0 2 5221.01 1843.89 5 7 0 3 28312.2 4016.37 5 7 0 4 20646.3 3528.26 5 7 0 5-139.579 602.967 5 7 0 6 714.517 387.527 5 7 0 7 4844.88 682.543 1 7 0 7 7606.22 2186.53 5 7 0 8-545.078 433.100 5 7 0 9 4451.27 1800.48 5 7 0 10 514.931 617.920 5 7 0 11 3474.16 1847.12 5 7 1 -16 764.150 462.983 3 7 1 -15 2940.96 1559.02 3 7 1 -15 6256.62 2847.21 5 7 1 -14 3935.37 1892.73 3 7 1 -14 3224.50 2129.68 5 7 1 -13 6449.64 2702.49 5 7 1 -12 3573.61 1907.69 5 7 1 -11 12651.2 3400.98 5 7 1 -10 2020.36 1544.53 5 7 1 -9 1487.40 770.148 5 7 1 -8-197.101 382.083 5 7 1 -7 1302.49 987.953 5 7 1 -6 12677.7 2744.53 5 7 1 -5-539.433 281.761 5 7 1 -4 4693.68 1365.45 5 7 1 -3 8157.63 2518.92 5 -7 1 2 23609.3 1647.67 1 7 1 -2 30196.3 4579.09 5 7 1 -1 51441.1 5857.61 5 7 1 0 33676.3 4831.77 5 7 1 1 27065.8 4071.93 5 7 1 2 7932.12 2033.92 5 7 1 3 195.571 122.630 5 7 1 4 3490.46 1503.15 5 7 1 5 3743.05 1628.29 5 7 1 6 337.999 650.404 5 7 1 7 13450.3 2871.62 5 7 1 7 8624.13 1078.25 1 7 1 8 14375.0 1752.26 1 7 1 8 21057.7 3749.48 5 7 1 9 2854.41 1185.70 5 7 1 10 11917.7 3053.73 5 7 1 11 786.428 1052.14 5 7 2 -17 3151.82 1897.91 3 7 2 -16 2154.28 1781.54 3 7 2 -15 3751.11 2011.22 3 7 2 -15 3149.39 1569.97 5 7 2 -14-190.479 1013.23 3 7 2 -14-890.901 1562.92 5 7 2 -13 1130.60 1329.11 5 7 2 -12-1077.40 246.178 5 7 2 -11 4616.29 2210.84 5 7 2 -10 5328.80 2073.99 5 7 2 -9 16649.0 3638.02 5 7 2 -8 2164.28 1165.69 5 7 2 -7 1069.17 1185.34 5 7 2 -6 7821.89 2158.08 5 7 2 -5 9706.40 2700.77 5 7 2 -4 16853.7 3297.92 5 7 2 -3 4925.81 2218.54 5 -7 2 2 3111.50 739.239 1 7 2 -2 3193.83 1479.21 5 -7 2 2 3727.09 1415.12 5 7 2 -1 4337.29 1860.36 5 -7 2 1 1431.38 941.379 5 7 2 0 6664.25 2130.42 5 -7 2 0 4140.95 1438.80 5 7 2 1 20866.2 3567.37 5 -7 2 -1 22735.4 3814.23 5 7 2 2 17126.7 3214.23 5 7 2 3 23202.3 3653.53 5 7 2 4 19712.3 3294.06 5 7 2 5 12330.6 2681.95 5 7 2 6 22025.5 3657.96 5 7 2 6 15162.6 1514.48 1 7 2 7 8343.09 2204.79 5 7 2 7 6507.81 1099.87 1 7 2 8 842.843 727.770 5 7 2 8 1288.81 645.499 1 7 2 9 2064.48 1387.84 5 7 2 10 3727.23 1864.43 5 7 2 11 5130.58 2166.47 5 7 2 12 7689.06 2782.70 5 7 3 -17 1039.45 963.644 3 7 3 -16 781.863 1301.99 3 7 3 -15 9.82337 695.824 3 7 3 -14 2561.83 1978.35 5 7 3 -13 4827.63 2412.19 5 7 3 -12 10050.7 3624.25 5 7 3 -11 2187.96 937.297 5 7 3 -10 11887.0 3456.66 5 7 3 -9 3088.81 1587.52 5 7 3 -8 1664.66 1113.81 5 7 3 -7 11634.2 2802.41 5 7 3 -6 4548.34 1449.64 5 7 3 -5 402.978 727.130 5 7 3 -4 10330.2 2705.94 5 -7 3 3 30170.2 2931.14 1 7 3 -3 31199.3 4702.27 5 7 3 -2 37816.2 5193.92 5 -7 3 2 32961.4 4410.50 5 -7 3 2 34724.8 3023.90 1 7 3 -1 33103.6 4701.28 5 -7 3 1 27896.6 4076.19 5 7 3 0 34927.0 4622.09 5 -7 3 0 33652.5 4522.12 5 7 3 1 15073.5 2965.91 5 -7 3 -1 12837.6 3046.48 5 7 3 2 1540.39 1062.56 5 -7 3 -2 1432.33 1034.85 5 7 3 3 3648.32 1356.04 5 7 3 4 6369.10 1913.50 5 7 3 5 537.068 485.414 5 7 3 6 2713.13 890.622 1 7 3 6 4025.41 1575.70 5 7 3 7 10958.1 2573.10 5 7 3 7 10624.0 1651.65 1 7 3 8 20541.3 3845.24 5 7 3 8 14303.5 2109.67 1 7 3 9 18699.5 3845.50 5 7 3 10 6438.11 2236.93 5 7 3 11 5157.16 2149.18 5 7 3 12 2960.56 1610.08 5 7 4 -16 580.319 1614.93 3 7 4 -14-634.539 446.305 5 7 4 -13-326.248 602.924 5 7 4 -12 3380.84 1854.51 5 7 4 -11 1182.02 695.464 5 7 4 -10 5446.97 1790.70 5 7 4 -9 11966.0 3186.38 5 7 4 -8 3150.46 1514.54 5 7 4 -7 9548.85 2640.60 5 7 4 -6 9382.54 2577.41 5 -7 4 5 9985.67 2018.95 1 7 4 -5 10215.0 2712.13 5 -7 4 4 5953.79 1564.52 1 7 4 -4 7376.18 2334.88 5 7 4 -3 11550.9 2882.10 5 -7 4 3 14251.9 2330.79 1 -7 4 2 4487.12 1395.63 1 7 4 -2 5680.21 2134.21 5 7 4 -1 10830.4 2632.66 5 -7 4 1 6807.07 1880.82 5 7 4 0 17776.2 3412.29 5 -7 4 0 15901.2 2990.70 5 7 4 1 14176.2 3072.77 5 -7 4 -1 9676.99 2585.32 5 7 4 2 21699.3 3514.39 5 -7 4 -2 24321.2 3910.31 5 7 4 3 6506.80 1914.47 5 7 4 4 12333.4 2789.57 5 7 4 5 20908.9 3538.17 5 7 4 6 11111.5 2857.02 5 7 4 7 6408.57 1436.50 1 7 4 7 7290.44 2138.27 5 7 4 8 1435.62 1013.54 5 7 4 9 3123.48 1678.44 5 7 4 10 4599.74 1937.43 5 7 4 11 1674.14 1775.12 5 7 4 12 1266.97 1658.67 5 7 5 -13 2078.57 2381.94 5 7 5 -12 8961.82 3242.47 5 7 5 -11 6768.60 2505.83 5 7 5 -10 1973.67 1646.09 5 7 5 -9 1255.40 912.112 5 7 5 -8 936.210 1308.56 5 7 5 -7 222.784 275.079 5 -7 5 6 6229.31 1943.05 1 7 5 -6 5490.07 1924.76 5 -7 5 5 9940.76 2206.84 1 7 5 -5 9283.55 2648.06 5 -7 5 4 8949.73 2029.51 1 7 5 -4 9936.72 2744.66 5 7 5 -3 6991.89 2464.38 5 -7 5 3 6096.99 1792.40 1 7 5 -2 23064.4 4233.91 5 -7 5 2 17057.0 2723.95 1 7 5 -1 17850.7 3650.03 5 -7 5 1 14324.9 2597.67 5 7 5 0 14674.8 3168.95 5 -7 5 0 12522.3 2483.71 5 -7 5 -1 16279.8 3105.99 5 7 5 1 15551.7 3111.04 5 7 5 2 6231.69 2000.38 5 -7 5 -2 3136.36 1602.25 5 7 5 3 3107.47 1379.80 5 -7 5 -3 4196.64 1527.63 5 7 5 4 2425.38 1244.95 5 7 5 5 14802.6 3119.77 5 7 5 6 1070.29 976.097 5 7 5 7 1994.48 519.075 5 7 5 8 4985.73 1737.86 5 7 5 9 7648.68 2460.20 5 7 5 10 8319.25 2857.17 5 7 5 11 6031.33 2615.30 5 7 5 12 3222.92 1988.35 5 7 6 -12 593.566 1045.96 5 7 6 -11 6558.03 2580.57 5 7 6 -10 3641.67 1814.69 5 7 6 -9 18434.1 4089.03 5 7 6 -8 10704.5 3030.89 5 7 6 -7 2573.16 1392.53 5 7 6 -6 6500.03 2056.04 5 7 6 -5 2651.28 1573.79 5 -7 6 4 3701.73 1355.02 1 7 6 -4 4234.79 1763.73 5 -7 6 3 1342.13 1117.37 1 7 6 -3 1032.45 1172.22 5 -7 6 2 1387.51 1119.04 1 7 6 -2 3387.94 1604.26 5 7 6 -1 6432.16 2160.94 5 7 6 0 12390.9 3080.47 5 -7 6 0 7945.36 1862.68 5 7 6 1 16752.9 3365.91 5 -7 6 -1 12772.8 2522.16 5 7 6 2 13769.8 2902.85 5 -7 6 -2 8767.66 2314.14 5 -7 6 -3 20238.6 3521.78 5 7 6 3 16449.5 3335.84 5 7 6 4 7244.12 2446.00 5 7 6 5 2142.81 1361.93 5 7 6 6 10766.1 2653.79 5 7 6 7 894.438 218.572 5 7 6 8 780.149 267.189 5 7 6 9 542.346 1085.64 5 7 6 10 1698.95 1165.69 5 7 6 11 4582.12 2131.40 5 7 6 12 2258.06 2042.75 5 7 7 -12 4714.68 2702.71 5 7 7 -11 5435.65 2421.53 5 7 7 -10 926.861 632.320 5 7 7 -9 2199.32 1622.90 5 7 7 -8 1065.98 945.194 5 7 7 -7 624.026 692.260 5 7 7 -6 1463.50 288.516 5 7 7 -5 175.466 547.578 5 7 7 -4 164.549 692.497 5 7 7 -3 19720.6 4245.33 5 7 7 -2 22780.8 4414.68 5 7 7 -1 15088.8 3428.86 5 7 7 0 12704.7 3026.98 5 7 7 1 7133.59 2125.10 5 7 7 2 1353.22 910.716 5 7 7 3 1830.65 1293.10 5 7 7 4 6014.07 2082.66 5 7 7 5 1985.14 1365.22 5 7 7 6 7101.32 2010.25 5 7 7 7 4288.51 1760.80 5 7 7 8 2859.38 1452.00 5 7 7 9 4976.92 2461.33 5 7 7 10 2141.60 1290.88 5 7 7 11 2588.96 2017.01 5 7 7 12 1958.72 2308.73 5 7 8 -11-281.899 822.148 5 7 8 -10 1910.93 1656.46 5 7 8 -9 1815.70 1195.29 5 7 8 -8 2880.03 1307.68 5 7 8 -7 7525.74 2582.50 5 7 8 -6 7727.53 2664.86 5 7 8 -5 3505.43 1772.49 5 7 8 -4 4500.59 1953.46 5 7 8 -3 3016.36 1939.79 5 7 8 -2 1851.89 1077.80 5 7 8 -1 4572.77 2017.72 5 7 8 0 3257.87 1676.47 5 7 8 1 6671.91 2174.84 5 7 8 2 4134.75 1642.07 5 7 8 3 3765.20 1810.78 5 7 8 4 2480.31 1219.77 5 7 8 5 4048.68 1964.54 5 7 8 6 2758.81 1818.46 5 7 8 7 818.645 786.434 5 7 8 8 1825.16 1279.76 5 7 8 9 723.762 1070.17 5 7 8 10 1120.62 1235.33 5 7 8 11 2309.87 1895.34 5 7 9 -9 493.267 951.608 5 7 9 -8 384.836 549.132 5 7 9 -7 823.000 1356.62 5 7 9 -6 198.860 805.742 5 7 9 -5-244.530 552.916 5 7 9 -4 3773.73 2016.56 5 7 9 -3 9450.65 3252.60 5 7 9 -2 7559.80 2688.07 5 7 9 -1 4308.21 1618.75 5 7 9 0 9269.45 2613.39 5 7 9 1 6631.27 2194.42 5 7 9 2 1084.66 753.260 5 7 9 3 255.011 377.152 5 7 9 4 889.833 1107.93 5 7 9 5-459.341 620.026 5 7 9 6 2138.96 1398.01 5 7 9 7 2331.28 1285.73 5 7 9 8 3679.94 1968.90 5 7 9 9 571.955 156.394 5 7 9 10 4405.70 2123.26 5 7 10 -8 5612.00 2279.78 5 7 10 -7 2769.04 1622.69 5 7 10 -6 1265.75 1505.39 5 7 10 -5 2983.40 1646.74 5 7 10 -4 1544.73 1742.08 5 7 10 -3 1595.53 1389.32 5 7 10 -2 746.243 520.205 5 7 10 -1 429.945 714.080 5 7 10 0 2678.34 1327.95 5 7 10 1 2692.45 1343.74 5 7 10 2 3369.84 1570.75 5 7 10 3 1476.93 796.578 5 7 10 4 2260.23 1349.50 5 7 10 5 2064.20 1417.29 5 7 10 6 455.897 442.807 5 7 10 7 3092.58 1742.05 5 7 10 8-1546.69 1118.88 5 7 11 -7 1917.20 1467.40 5 7 11 -6 1742.51 1668.73 5 7 11 -5 2621.19 1734.31 5 7 11 -4 2149.04 1405.95 5 7 11 -3 3217.44 1788.26 5 7 11 -2 6923.34 2260.51 5 7 11 -1 3158.72 1837.28 5 7 11 0 1709.45 955.309 5 7 11 1 2091.12 1144.63 5 7 11 2 1286.76 816.996 5 7 11 3 1169.66 1164.31 5 -8 -10 6 2861.60 2501.68 1 -8 -10 5 3605.29 2287.95 1 -8 -10 4 4866.21 2347.84 1 -8 -10 3 1222.71 1387.75 1 -8 -9 9 3730.09 2589.67 1 -8 -9 8 2841.91 2562.63 1 -8 -9 7 2282.78 1200.63 1 -8 -9 6 1540.77 840.774 1 -8 -9 5 4187.07 2257.40 1 -8 -9 4 4091.61 2078.35 1 -8 -9 3 6969.88 3522.33 4 -8 -9 3 5311.19 2381.56 1 -8 -9 2 12440.6 4440.17 4 -8 -9 2 11949.4 3027.72 1 -8 -9 1 7906.06 3663.31 4 -8 -9 0 2173.35 1965.46 4 -8 -9 -1-232.822 703.935 4 -8 -9 -2 1923.76 1280.31 4 -8 -9 -3 1599.50 1848.15 4 -8 -8 11 406.791 1402.28 4 -8 -8 10 4221.56 2592.48 1 -8 -8 10-1279.41 2067.34 4 -8 -8 9 1045.83 1501.29 4 -8 -8 9 3959.77 2510.22 1 -8 -8 8 3324.90 1404.04 4 -8 -8 8 1150.18 995.186 1 -8 -8 7 4209.13 2349.45 4 -8 -8 7 4299.13 2340.94 1 -8 -8 6 2711.67 1439.65 4 -8 -8 6 5491.70 2839.55 1 -8 -8 5 546.622 847.385 1 -8 -8 5 1029.41 1817.10 4 -8 -8 4 1274.27 1142.63 4 -8 -8 4 893.827 1030.08 1 -8 -8 3 4196.33 1891.87 1 -8 -8 3 2896.28 2143.07 4 -8 -8 2 2636.49 1286.32 1 -8 -8 2 6235.96 3057.78 4 -8 -8 1 6655.29 3191.68 4 -8 -8 0 3058.03 1965.19 4 -8 -8 -1 7895.88 3088.08 4 -8 -8 -2 11720.2 4022.47 4 -8 -8 -3 9868.90 3269.57 4 -8 -8 -4 2111.00 1717.00 4 -8 -8 -5 1370.38 1402.52 4 -8 -8 -6-520.819 863.337 4 -8 -8 -7 377.588 830.593 4 -8 -8 -8-910.852 1211.84 4 -8 -8 -9 1413.31 1063.92 4 -8 -8 -10 887.182 763.113 4 -8 -7 12-183.418 1629.62 4 -8 -7 11 1214.94 476.337 4 -8 -7 10 505.678 1244.11 4 -8 -7 9 27.7483 473.793 4 -8 -7 8 2293.03 1773.63 1 -8 -7 8 3056.35 966.424 4 -8 -7 7 5296.48 2993.53 4 -8 -7 7 5473.01 2629.41 1 -8 -7 6 2470.79 1805.30 4 -8 -7 6 4385.06 2053.46 1 -8 -7 5 23315.1 5867.81 4 -8 -7 5 20647.3 4038.27 1 -8 -7 4 5277.15 2142.65 1 -8 -7 4 11501.3 4586.74 4 -8 -7 3 13745.0 4889.77 4 -8 -7 3 7459.16 2315.41 1 -8 -7 2 9026.25 4018.19 4 -8 -7 2 6092.41 1998.18 1 -8 -7 1 4788.53 2833.64 4 8 -7 -1 2687.98 1196.41 5 -8 -7 0 859.071 1351.78 4 8 -7 0 666.434 390.105 5 -8 -7 -1 2647.43 2326.85 4 8 -7 1 274.282 487.973 5 -8 -7 -2 2665.59 1767.47 4 8 -7 2 1168.50 874.419 5 -8 -7 -3 3914.85 2060.51 4 8 -7 3 2906.73 1153.58 5 -8 -7 -4 1686.85 1521.58 4 8 -7 4 347.651 693.952 5 -8 -7 -5 5048.00 2160.55 4 -8 -7 -6 6765.46 2447.27 4 -8 -7 -7 2790.83 1621.47 4 -8 -7 -8 2181.46 1382.83 4 -8 -7 -9 1654.18 1043.13 4 -8 -7 -10 2693.88 1425.84 4 -8 -7 -11-819.799 910.178 4 -8 -6 12 290.999 423.692 4 -8 -6 11 3072.17 2145.49 4 -8 -6 10 7349.76 2724.43 4 -8 -6 9 5399.07 2515.07 4 8 -6 -9 2665.29 1315.48 5 -8 -6 8 13008.7 4009.76 4 8 -6 -8 6474.77 1895.73 5 -8 -6 7 2346.20 1255.53 1 -8 -6 7 2130.68 1766.03 4 8 -6 -7 806.056 869.056 5 -8 -6 6-1137.65 1386.26 1 8 -6 -6 714.089 614.285 5 -8 -6 5 3509.99 2248.89 4 -8 -6 5 1449.20 999.514 1 8 -6 -5 849.010 591.047 5 8 -6 -4-695.645 585.352 5 -8 -6 4-36.1742 456.770 1 -8 -6 3 5623.64 1710.01 1 8 -6 -3 4357.14 1450.40 5 -8 -6 2 4920.83 1534.98 1 8 -6 -2 4566.42 2213.84 5 -8 -6 1 9340.58 2132.53 1 8 -6 -1 3761.50 1623.99 5 8 -6 0 18301.6 2888.93 5 8 -6 1 11242.1 2740.13 5 -8 -6 -2 16780.0 4122.65 4 8 -6 2 7926.74 1965.54 5 -8 -6 -3 10312.6 3367.14 4 8 -6 3 7822.47 2187.27 5 -8 -6 -4 3580.08 1979.25 4 8 -6 4 1518.14 853.793 5 -8 -6 -5 4794.32 1908.07 4 8 -6 5 3290.63 1355.04 5 -8 -6 -6 1739.06 1215.75 4 8 -6 6 714.027 664.113 5 -8 -6 -7 2165.74 1510.01 4 -8 -6 -8 2333.58 1204.42 4 -8 -6 -8 2053.85 1588.67 3 -8 -6 -9 2944.79 2013.43 3 -8 -6 -9 3413.77 1665.81 4 -8 -6 -10-864.751 1089.06 3 -8 -6 -10 1791.18 1146.50 4 -8 -6 -11 1613.32 1266.57 3 -8 -6 -11 1753.06 1202.89 4 -8 -6 -12 672.148 687.090 3 -8 -5 13 1643.88 1433.33 4 8 -5 -13 1510.16 1597.76 5 -8 -5 12 377.290 800.956 4 8 -5 -12 20.1688 172.487 5 -8 -5 11 10303.9 2955.10 4 8 -5 -11 7260.18 2402.61 5 -8 -5 10 3521.14 2281.19 4 8 -5 -10 419.272 795.231 5 -8 -5 9 6340.60 2807.93 4 8 -5 -9 3031.53 1452.69 5 8 -5 -8 1266.65 990.678 5 8 -5 -7 3668.66 1432.59 5 8 -5 -6 6009.96 1805.36 5 -8 -5 5 5167.99 1743.45 1 8 -5 -5 4955.17 1675.57 5 -8 -5 4 8145.65 1926.04 1 8 -5 -4 8733.47 2289.07 5 -8 -5 3 9122.17 1865.88 1 8 -5 -3 7896.90 2235.67 5 8 -5 -2 3756.75 1926.88 5 -8 -5 2 8492.08 1928.04 1 -8 -5 1 7813.47 2257.29 3 8 -5 -1 5221.99 1658.45 5 8 -5 0 5340.18 1740.18 5 8 -5 1 1886.17 1327.87 5 8 -5 2 1227.64 1030.62 5 8 -5 3 17942.1 3193.91 5 8 -5 4 3600.96 1681.38 5 8 -5 5 3213.95 1521.65 5 8 -5 6 9043.76 2493.63 5 8 -5 7 4554.46 1835.74 5 -8 -5 -8 6303.57 1969.45 4 -8 -5 -9 589.585 314.736 4 -8 -5 -10 1642.97 1164.14 4 -8 -5 -10-759.155 367.560 3 -8 -5 -11-33.1028 473.718 3 -8 -5 -11 19.4674 796.958 4 -8 -5 -12 2009.65 2023.37 3 -8 -5 -12 1153.67 741.309 4 -8 -5 -13 938.149 1287.55 3 8 -4 -15-780.018 849.289 5 8 -4 -14 3022.55 1903.73 5 -8 -4 13 1251.64 1086.29 4 8 -4 -13 96.4066 661.749 5 -8 -4 12 2032.36 1850.46 4 8 -4 -12-677.837 541.137 5 8 -4 -11 10883.7 2791.89 5 8 -4 -10 3331.11 1483.90 5 8 -4 -9 2465.18 1127.09 5 8 -4 -8 13279.1 2777.65 5 8 -4 -7 6065.06 1726.41 5 8 -4 -6-250.810 436.128 5 8 -4 -5 749.165 684.927 5 -8 -4 5 110.123 691.205 3 8 -4 -4 2649.34 1356.36 5 -8 -4 4 3257.15 1424.07 3 -8 -4 3 199.217 746.760 3 8 -4 -3 941.147 839.954 5 -8 -4 2 6047.87 1339.29 1 -8 -4 2 6203.80 1873.21 3 8 -4 -2 4727.26 1497.44 5 -8 -4 1 4253.04 1966.56 3 8 -4 -1 2117.39 1545.83 5 8 -4 0 17390.8 3018.33 5 8 -4 1 19144.5 3703.06 5 8 -4 2 4485.38 2008.33 5 8 -4 3 18103.8 3271.14 5 8 -4 4 5862.03 1946.13 5 8 -4 5 582.920 1046.74 5 8 -4 6 6933.55 2246.80 5 8 -4 7 2735.13 1623.82 5 8 -4 8 2010.34 1232.64 5 -8 -4 -11 1721.41 1196.17 4 -8 -4 -12 2847.53 2088.08 3 -8 -4 -12 3422.95 1551.39 4 -8 -4 -13 8354.38 3604.01 3 8 -3 -15 1958.67 1196.24 5 8 -3 -14 3142.71 1352.65 5 8 -3 -13 1914.18 1354.67 5 8 -3 -12-243.289 999.436 5 8 -3 -11 4743.38 1827.19 5 8 -3 -10 1461.48 1136.87 5 8 -3 -9 539.153 747.913 5 8 -3 -8 494.248 166.653 5 8 -3 -7 6981.06 1928.40 5 8 -3 -6 20078.7 3589.99 5 8 -3 -5 9926.03 2434.42 5 8 -3 -4 2752.68 1238.42 5 -8 -3 3 4879.47 1125.05 1 -8 -3 3 4917.99 1928.13 3 8 -3 -3 4637.28 1916.11 5 -8 -3 2 5490.81 1169.72 1 -8 -3 2 4869.28 1915.30 3 8 -3 -2 3354.64 1734.91 5 8 -3 -1 1265.29 1123.64 5 8 -3 0 2936.32 1363.60 5 8 -3 1 5265.92 2143.38 5 8 -3 2 4030.38 1467.45 5 8 -3 3 4714.49 1697.11 5 8 -3 4 8904.28 2309.73 5 8 -3 5 11162.7 2644.97 5 8 -3 6 5765.56 2129.02 5 8 -3 7 5522.99 2198.86 5 8 -3 8 793.371 1127.19 5 8 -3 9 3502.42 1642.48 5 -8 -3 -13 367.753 616.728 3 8 -2 -15 384.872 1004.14 5 8 -2 -14 1766.92 1000.64 5 8 -2 -13 4175.69 1708.48 5 8 -2 -12 1778.31 1430.44 5 8 -2 -11 3244.77 1897.98 5 8 -2 -10 8547.51 2593.46 5 8 -2 -9 4822.06 1969.95 5 8 -2 -8 4930.46 1905.85 5 8 -2 -7 5835.74 2117.17 5 8 -2 -6 1343.99 1011.34 5 8 -2 -5 2039.57 1317.74 5 8 -2 -4 2130.25 1204.83 5 -8 -2 3 1295.26 545.803 1 8 -2 -3 209.519 249.856 5 -8 -2 2 1474.45 460.094 1 8 -2 -2 2068.24 1273.94 5 8 -2 -1 11397.1 2702.00 5 8 -2 0 21113.6 3730.36 5 8 -2 1 12084.8 3230.63 5 8 -2 2 12550.0 2861.73 5 8 -2 3 11397.2 2814.49 5 8 -2 4 2828.09 1550.14 5 8 -2 5 1020.34 843.337 5 8 -2 6 2938.73 1262.68 5 8 -2 7 1092.91 863.251 5 8 -2 8 1528.78 1028.38 5 8 -2 9 4520.90 2180.45 5 8 -2 10 1040.32 1685.25 5 8 -1 -15 2791.36 1792.14 5 8 -1 -14 2306.43 1670.99 5 8 -1 -13 8848.21 3232.88 5 8 -1 -12 1371.49 1390.29 5 8 -1 -11 696.515 588.005 5 8 -1 -10 682.178 603.579 5 8 -1 -9 1677.04 1008.89 5 8 -1 -8 4906.34 1864.55 5 8 -1 -7 4406.38 1899.92 5 8 -1 -6 14264.4 3119.49 5 8 -1 -5 5507.74 1857.41 5 8 -1 -4 19449.0 3687.91 5 8 -1 -3 12671.4 3591.98 5 8 -1 -2 7836.08 2683.57 5 -8 -1 2 5827.05 718.877 1 8 -1 -1 8991.65 2572.64 5 8 -1 0 909.590 1532.15 5 8 -1 1 1376.40 898.902 5 8 -1 2 2356.35 1313.26 5 8 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8 1 -9 1761.64 991.826 5 8 1 -8 4735.06 1672.29 5 8 1 -7 2872.49 1242.15 5 8 1 -6 12996.3 2901.36 5 8 1 -5 5968.19 1983.84 5 8 1 -4 19084.0 3718.23 5 8 1 -3 8805.44 2611.72 5 8 1 -2 7403.29 2470.53 5 8 1 -1 11054.1 2973.38 5 8 1 0 3870.16 1777.15 5 8 1 1 1075.67 603.064 5 8 1 2 2849.49 1635.02 5 8 1 3 6572.02 2161.36 5 8 1 4 9289.92 2564.40 5 8 1 5 7059.91 2380.73 5 8 1 6 14348.0 3024.47 5 8 1 7 2904.16 1324.16 5 8 1 8 3596.85 1727.19 5 8 1 9 4602.05 2159.04 5 8 1 10 2967.93 1619.98 5 8 1 11 2806.08 1932.37 5 8 1 12 810.411 789.645 5 8 2 -13 2044.37 1703.16 5 8 2 -12 769.021 268.496 5 8 2 -11 4219.03 2620.97 5 8 2 -10 9641.53 3202.39 5 8 2 -9 3477.12 1751.87 5 8 2 -8 7020.59 2506.47 5 8 2 -7 4036.07 1519.17 5 8 2 -6 1250.96 833.898 5 8 2 -5 943.399 623.468 5 8 2 -4 2068.64 1263.81 5 -8 2 3 1730.53 614.715 1 8 2 -3 2393.17 1568.43 5 8 2 -2 2654.08 1675.47 5 8 2 -1 10886.8 3428.22 5 8 2 0 21351.8 4340.40 5 8 2 1 16331.1 3757.48 5 8 2 2 17501.7 3534.13 5 8 2 3 11918.3 2893.71 5 8 2 4 5555.50 2026.81 5 8 2 5 1547.72 1340.95 5 8 2 6 2481.96 1000.99 5 8 2 7 1153.69 752.167 5 8 2 8 2016.93 1298.80 5 8 2 9 1318.07 1273.83 5 8 2 10 3752.59 1825.44 5 8 2 11 3547.75 2150.16 5 8 2 12 3730.98 2097.08 5 8 3 -13 346.540 1110.53 5 8 3 -12 849.563 1518.60 5 8 3 -11 8146.95 3087.36 5 8 3 -10 4016.19 1970.99 5 8 3 -9 2894.33 1804.96 5 8 3 -8 1990.05 1261.93 5 8 3 -7 8712.76 2709.91 5 8 3 -6 16379.8 3474.21 5 8 3 -5 10421.4 2691.33 5 8 3 -4 4039.77 1596.41 5 -8 3 4 3748.27 1137.84 1 8 3 -3 6178.13 2186.04 5 -8 3 3 9420.14 1600.31 1 8 3 -2 2613.68 2081.51 5 8 3 -1 3640.95 1905.68 5 8 3 0 3817.47 1594.39 5 8 3 1 5232.65 1876.81 5 8 3 2 4926.26 1874.47 5 8 3 3 7426.52 2132.94 5 8 3 4 11792.5 2795.50 5 8 3 5 21654.7 3844.01 5 8 3 6 6309.15 2240.33 5 8 3 7 9854.97 2643.58 5 8 3 8-417.745 836.105 5 8 3 9 6155.83 2176.65 5 8 3 10 4284.76 1776.00 5 8 3 11 2250.44 1487.75 5 8 3 12-136.950 716.727 5 8 4 -12 631.642 564.271 5 8 4 -11 13949.7 4013.71 5 8 4 -10 7295.90 2607.83 5 8 4 -9 3510.96 2014.83 5 8 4 -8 10922.7 3107.75 5 8 4 -7 8654.01 2868.85 5 8 4 -6 42.2529 751.982 5 8 4 -5 768.328 432.675 5 8 4 -4 1958.29 1394.61 5 8 4 -3 984.540 1135.53 5 8 4 -2 6638.12 2336.45 5 8 4 -1 3745.79 2574.31 5 8 4 0 28943.2 4722.55 5 8 4 1 23988.2 4113.71 5 8 4 2 7922.51 2433.66 5 8 4 3 23220.4 3854.32 5 8 4 4 5549.18 2023.54 5 8 4 5 1794.45 1382.42 5 8 4 6 8134.08 2361.52 5 8 4 7 3903.58 1642.07 5 8 4 8 7014.14 2294.65 5 8 4 9 3507.37 1929.28 5 8 4 10 1921.59 1590.50 5 8 4 11 1980.98 1992.11 5 8 5 -11 7969.51 2853.29 5 8 5 -10 2474.56 1643.64 5 8 5 -9 3417.36 1924.56 5 8 5 -8 2561.23 1489.59 5 8 5 -7 2198.98 846.229 5 8 5 -6 4692.92 1861.33 5 8 5 -5 5204.69 2283.52 5 8 5 -4 7971.04 2608.48 5 8 5 -3 11658.6 3257.06 5 8 5 -2 7421.66 2878.50 5 8 5 -1 9499.77 3007.99 5 8 5 0 4781.41 1956.87 5 8 5 1 2522.73 1482.68 5 8 5 2 1882.55 1127.96 5 8 5 3 22783.7 3927.61 5 8 5 4 4926.96 2102.46 5 8 5 5 6329.85 2409.73 5 8 5 6 14293.9 3239.49 5 8 5 7 5706.98 2231.14 5 8 5 8 4940.68 2048.83 5 8 5 9 339.985 613.873 5 8 5 10 791.125 184.127 5 8 5 11 1997.18 1692.42 5 8 6 -10 5625.49 2662.98 5 8 6 -9 984.311 996.549 5 8 6 -8 5525.19 2085.05 5 8 6 -7-743.197 1146.81 5 8 6 -6 493.544 458.800 5 8 6 -5 2497.99 1640.62 5 8 6 -4 1585.77 1378.26 5 8 6 -3 5682.95 2392.33 5 8 6 -2 4418.06 2394.33 5 8 6 -1 8469.60 2843.75 5 8 6 0 17297.1 3778.47 5 8 6 1 7527.88 2756.44 5 8 6 2 8249.72 2472.43 5 8 6 3 9314.15 2568.85 5 8 6 4 512.958 796.288 5 8 6 5 4363.33 1765.52 5 8 6 6 1644.62 1092.04 5 8 6 7 567.773 440.742 5 8 6 8 5199.64 1900.74 5 8 6 9 2413.86 1109.92 5 8 6 10 955.310 1812.36 5 8 7 -9 3.86218 1308.65 5 8 7 -8 365.175 848.397 5 8 7 -7 2613.22 1751.13 5 8 7 -6 2718.40 1827.72 5 8 7 -5 11174.3 3118.99 5 8 7 -4 4916.23 2470.51 5 8 7 -3 4685.36 2140.40 5 8 7 -2 5870.55 2402.05 5 8 7 -1 3708.62 2195.63 5 8 7 0-1094.83 1150.01 5 8 7 1 1174.07 914.422 5 8 7 2 1234.41 1217.27 5 8 7 3 2764.90 1530.53 5 8 7 4 2459.20 1644.42 5 8 7 5 8824.95 2602.86 5 8 7 6 7135.86 2418.82 5 8 7 7 369.772 425.787 5 8 7 8 2184.49 1216.53 5 8 7 9 2900.30 1386.62 5 8 8 -8 2244.24 1563.00 5 8 8 -7 1872.28 1380.23 5 8 8 -6 3445.70 1677.37 5 8 8 -5 676.930 1145.58 5 8 8 -4 2000.47 1803.89 5 8 8 -3 3177.10 1474.83 5 8 8 -2 5685.06 2508.56 5 8 8 -1 484.803 655.543 5 8 8 0 2703.27 1443.30 5 8 8 1 3460.05 1803.48 5 8 8 2 7693.77 2494.61 5 8 8 3 6018.52 2301.57 5 8 8 4 2453.17 1831.93 5 8 8 5 1209.86 730.144 5 8 8 6-374.798 707.844 5 8 8 7 860.813 262.703 5 8 8 8-459.608 936.103 5 8 9 -7 741.139 1210.46 5 8 9 -6 4901.90 2260.92 5 8 9 -5 3975.18 2100.84 5 8 9 -4 4731.74 2574.17 5 8 9 -3 4009.49 2352.18 5 8 9 -2 8961.23 3016.55 5 8 9 -1 8081.12 2640.47 5 8 9 0 1837.56 999.009 5 8 9 1-760.566 995.067 5 8 9 2 1694.08 839.075 5 8 9 3 1296.18 886.216 5 8 9 4 5819.53 2237.37 5 8 9 5 967.600 1131.71 5 8 9 6 3232.57 1584.74 5 8 9 7 1376.21 1186.78 5 8 10 -5 1616.17 1734.36 5 8 10 -4 2853.07 1777.61 5 8 10 -3 176.540 592.158 5 8 10 -2 2691.36 1074.53 5 8 10 -1 2122.56 890.783 5 8 10 0 6186.33 2199.06 5 8 10 1 2909.16 1593.28 5 8 10 2 3086.01 1645.46 5 8 10 3 2614.53 1511.08 5 8 10 4 1136.71 1298.37 5 8 10 5-166.760 567.801 5 8 10 6 1645.57 1452.53 5 8 11 -2 5681.04 2076.67 5 8 11 -1 3856.14 1902.06 5 8 11 0-235.601 628.572 5 -9 -7 8 5384.69 2596.11 4 -9 -7 7 4060.61 2524.90 4 -9 -7 6 8483.05 3634.69 4 -9 -7 5 2535.09 3221.49 4 -9 -7 4 10359.6 4378.69 4 -9 -7 3 3430.75 2793.41 4 -9 -7 2 5816.12 3039.68 4 -9 -7 1 2151.73 2097.56 4 -9 -7 0 4802.53 2779.07 4 -9 -7 -1 6584.49 3179.55 4 -9 -7 -2 6520.53 2941.27 4 -9 -7 -3 8621.53 3135.80 4 -9 -7 -4 11373.4 3652.76 4 -9 -7 -5 3002.73 1663.74 4 -9 -7 -6 2547.50 1652.76 4 -9 -7 -7 2698.90 1668.65 4 -9 -6 11 6179.72 2661.48 4 -9 -6 10 3271.44 2212.19 4 -9 -6 9 5284.72 2484.42 4 -9 -6 8 3542.66 2571.41 4 -9 -6 7 2590.51 1990.02 4 -9 -6 6 4748.13 2998.96 4 -9 -6 5 9357.96 4112.67 4 9 -6 -5 2696.63 1467.61 5 9 -6 -4 8978.26 2230.65 5 9 -6 -3 2203.63 1059.08 5 9 -6 -2 12250.9 2666.28 5 9 -6 -1 9053.96 2605.32 5 9 -6 0 1703.21 1763.07 5 9 -6 1 7315.57 1901.23 5 9 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2003.73 1298.08 4 -9 -5 -11 2091.98 1555.47 3 9 -4 -13 4161.09 1800.35 5 9 -4 -12 4011.68 2001.74 5 9 -4 -11-787.108 790.185 5 9 -4 -10 2084.31 1442.45 5 9 -4 -9 641.619 509.760 5 9 -4 -8 1340.96 967.742 5 9 -4 -7 516.749 905.006 5 9 -4 -6 2423.05 1580.92 5 9 -4 -5 639.315 328.055 5 9 -4 -4 4248.25 1829.62 5 9 -4 -3 5173.73 1873.83 5 9 -4 -2 8866.57 2407.38 5 9 -4 -1 7734.96 2633.84 5 9 -4 0 1366.26 1662.16 5 9 -4 1 6855.39 2225.39 5 9 -4 2 4037.89 2009.31 5 9 -4 3 1706.73 1204.92 5 9 -4 4 985.334 908.704 5 9 -4 5 372.402 735.447 5 9 -4 6 3686.70 1738.22 5 9 -4 7 6574.29 2254.63 5 9 -4 8 3961.36 2053.51 5 9 -4 9 4368.24 2122.13 5 -9 -4 -11 4724.93 1801.81 4 9 -3 -14-293.282 549.206 5 9 -3 -13 3373.88 1811.77 5 9 -3 -12-435.532 1401.51 5 9 -3 -11 921.076 1220.06 5 9 -3 -10-785.694 824.611 5 9 -3 -9 1949.17 1278.13 5 9 -3 -8 8127.25 2593.98 5 9 -3 -7 8150.48 2546.06 5 9 -3 -6 1380.75 679.952 5 9 -3 -5 4978.86 1911.33 5 9 -3 -4 4274.35 1879.55 5 9 -3 -3 2146.45 1590.01 5 9 -3 -2 893.965 339.332 5 9 -3 -1 3535.92 1457.75 5 9 -3 0 4954.16 1990.52 5 9 -3 1 3161.31 1456.48 5 9 -3 2 7464.40 2223.85 5 9 -3 3 10119.3 2798.89 5 9 -3 4 1208.16 622.463 5 9 -3 5 3980.89 1591.64 5 9 -3 6 2628.42 1704.01 5 9 -3 7 2760.32 1072.33 5 9 -3 8 573.615 975.559 5 9 -3 9 1124.82 1198.63 5 9 -3 10 862.305 1317.96 5 9 -2 -13 4161.54 2571.43 5 9 -2 -12 3146.73 1360.73 5 9 -2 -11 6110.19 2357.00 5 9 -2 -10-369.734 973.441 5 9 -2 -9 2759.00 1394.28 5 9 -2 -8-538.828 1047.14 5 9 -2 -7 1355.60 601.052 5 9 -2 -6 1202.45 948.979 5 9 -2 -5 5043.51 1960.01 5 9 -2 -4 7821.89 2362.48 5 9 -2 -3 8142.95 2755.69 5 9 -2 -2 17390.2 3765.80 5 9 -2 -1 17288.8 3654.25 5 9 -2 0 2316.19 1497.23 5 9 -2 1 6476.36 2086.56 5 9 -2 2 785.027 770.386 5 9 -2 3 1071.32 1232.15 5 9 -2 4-1277.55 977.786 5 9 -2 5 194.670 640.434 5 9 -2 6 492.364 691.969 5 9 -2 7 2492.73 1740.36 5 9 -2 8 4581.69 2165.65 5 9 -2 9 1540.15 948.559 5 9 -2 10 99.5170 814.192 5 9 -2 11 1219.61 704.128 5 9 -1 -13 1005.25 1446.41 5 9 -1 -12 3098.36 2096.81 5 9 -1 -11 1417.60 1417.87 5 9 -1 -10 4643.32 1993.34 5 9 -1 -9 6154.28 2087.97 5 9 -1 -8 7267.04 2489.39 5 9 -1 -7 948.129 690.413 5 9 -1 -6 11151.4 2967.70 5 9 -1 -5 3112.27 1194.06 5 9 -1 -4 2904.75 1536.04 5 9 -1 -3 3149.70 1675.08 5 9 -1 -2 1323.26 1151.90 5 9 -1 -1 4721.34 1831.91 5 9 -1 0 3942.33 1228.54 5 9 -1 1 12895.8 3225.34 5 9 -1 2 6067.75 2624.84 5 9 -1 3 847.946 911.102 5 9 -1 4 12553.6 3100.25 5 9 -1 5 6076.62 2217.58 5 9 -1 6 420.850 346.392 5 9 -1 7 5617.10 2240.44 5 9 -1 8 294.463 974.203 5 9 -1 9-1031.74 647.912 5 9 -1 10 3490.10 2118.23 5 9 -1 11 178.872 880.945 5 9 0 -12 3865.26 1763.98 5 9 0 -11 7234.69 2524.44 5 9 0 -10 1193.29 1551.09 5 9 0 -9-650.122 1416.42 5 9 0 -8-298.702 934.336 5 9 0 -7 1219.92 1145.52 5 9 0 -6 2826.28 1440.85 5 9 0 -5 3914.14 1576.51 5 9 0 -4 6562.19 2330.62 5 9 0 -3 17261.1 3681.86 5 9 0 -2 4111.12 2550.22 5 9 0 -1 1894.17 1745.71 5 9 0 0 4359.96 1826.17 5 9 0 1 15348.0 3503.87 5 9 0 2 5288.28 2437.92 5 9 0 3 2188.60 1445.32 5 9 0 4 4477.39 2077.78 5 9 0 5 12622.5 3182.40 5 9 0 6 11567.0 3175.00 5 9 0 7 1138.95 879.360 5 9 0 8 6247.93 2439.64 5 9 0 9-231.280 777.972 5 9 0 10 2839.87 1469.97 5 9 0 11 4093.56 2180.85 5 9 1 -12 1105.32 895.394 5 9 1 -11 675.731 966.038 5 9 1 -10 1188.13 1407.11 5 9 1 -9 14512.3 4018.61 5 9 1 -8 5600.96 2139.41 5 9 1 -7 2016.96 774.720 5 9 1 -6 12736.3 3262.55 5 9 1 -5 4231.48 1689.77 5 9 1 -4 4812.36 2241.12 5 9 1 -3 410.800 606.397 5 9 1 -2 1504.38 2032.84 5 9 1 -1 6390.73 2493.96 5 9 1 0 7309.35 2259.55 5 9 1 1 11974.8 3218.02 5 9 1 2 5479.83 2482.17 5 9 1 3 3053.82 1676.89 5 9 1 4 13009.8 3325.99 5 9 1 5 7619.92 2502.58 5 9 1 6 2245.03 1411.04 5 9 1 7 6133.33 2180.62 5 9 1 8-227.741 737.486 5 9 1 9 1214.19 1050.76 5 9 1 10 1997.36 1644.60 5 9 2 -11 6343.18 2550.06 5 9 2 -10 4050.74 2322.69 5 9 2 -9 2384.09 1138.11 5 9 2 -8 116.797 454.789 5 9 2 -7 3402.71 1899.91 5 9 2 -6 3360.32 1818.43 5 9 2 -5 6446.64 2165.88 5 9 2 -4 6928.06 2555.31 5 9 2 -3 7081.03 2829.61 5 9 2 -2 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9 4 -4 5508.99 2271.73 5 9 4 -3 7260.97 2806.31 5 9 4 -2 8588.13 3001.10 5 9 4 -1 9786.27 3368.64 5 9 4 0 1801.34 1249.35 5 9 4 1 10232.4 2807.68 5 9 4 2 2485.32 1584.19 5 9 4 3 3145.82 1767.10 5 9 4 4 272.263 1132.10 5 9 4 5 3305.21 1734.17 5 9 4 6 6960.86 2408.61 5 9 4 7 8818.77 2737.37 5 9 4 8 5236.96 2357.35 5 9 4 9 9347.31 2935.28 5 9 5 -9 2778.40 1383.01 5 9 5 -8 642.883 955.976 5 9 5 -7 2944.22 1722.99 5 9 5 -6 4472.84 2070.83 5 9 5 -5 10593.0 3135.12 5 9 5 -4 1242.22 1821.48 5 9 5 -3 2169.17 1638.33 5 9 5 -2 399.336 750.891 5 9 5 -1 4494.30 2053.74 5 9 5 0 904.734 494.053 5 9 5 1 5018.68 1998.61 5 9 5 2 1226.22 1596.54 5 9 5 3 2569.48 1278.25 5 9 5 4 17272.2 3700.22 5 9 5 5 7000.45 2545.61 5 9 5 6 5121.89 2069.04 5 9 5 7 3587.38 1919.71 5 9 5 8 1272.14 1336.31 5 9 6 -8 1561.68 1371.02 5 9 6 -7 254.408 1384.78 5 9 6 -6 4193.48 2147.49 5 9 6 -5 4188.34 2184.96 5 9 6 -4 7636.72 2549.67 5 9 6 -3 2779.69 2617.09 5 9 6 -2 12196.3 3577.20 5 9 6 -1 10567.6 3195.53 5 9 6 0 1942.29 1973.73 5 9 6 1 5078.81 2016.69 5 9 6 2 1395.36 947.118 5 9 6 3 2521.54 1674.78 5 9 6 4 1506.50 1034.95 5 9 6 5 2118.47 1814.77 5 9 6 6 4526.17 2167.19 5 9 6 7 3505.75 1587.71 5 9 7 -6 3741.60 2156.33 5 9 7 -5 1069.63 968.440 5 9 7 -4 5138.44 2398.62 5 9 7 -3 1369.86 1380.18 5 9 7 -2 4361.79 2215.77 5 9 7 -1-811.342 880.209 5 9 7 0 453.377 826.018 5 9 7 1 5823.13 2427.58 5 9 7 2 6067.11 2513.77 5 9 7 3 4965.70 2543.46 5 9 7 4 11899.1 3380.04 5 9 7 5 2331.59 1752.93 5 9 7 6 2669.77 1681.59 5 9 8 -4-722.177 1114.41 5 9 8 -3 5025.50 2269.00 5 9 8 -2 2916.75 2306.20 5 9 8 -1 1942.38 1598.27 5 9 8 0 6019.53 2463.31 5 9 8 1 3855.70 2148.46 5 9 8 2 35.2028 941.626 5 9 8 3 1344.19 1246.07 5 9 8 4 1374.74 1192.12 5 9 9 0 1301.93 283.676 5 10 -5 -7 3328.21 1737.15 5 10 -5 -6 2573.76 1492.97 5 10 -5 -5-686.429 1115.31 5 10 -5 -4-689.885 766.732 5 10 -5 -3-290.716 308.504 5 10 -5 -2 1165.61 506.537 5 10 -5 -1 3727.18 1788.21 5 10 -5 0 6133.08 2388.28 5 10 -5 1 5542.83 2173.23 5 10 -5 2 3407.74 1940.37 5 10 -5 3 179.314 516.286 5 10 -5 4-499.558 963.508 5 10 -5 5 4191.00 1916.47 5 10 -5 6 711.935 1191.69 5 10 -5 7 1018.88 1168.90 5 10 -5 8 261.445 925.920 5 10 -4 -11 233.058 688.408 5 10 -4 -10-579.000 1113.55 5 10 -4 -9-626.559 657.901 5 10 -4 -8 1276.65 913.056 5 10 -4 -7 806.716 1337.87 5 10 -4 -6 3200.71 1626.37 5 10 -4 -5 3236.81 1558.76 5 10 -4 -4 4605.62 1657.93 5 10 -4 -3 5561.12 2110.64 5 10 -4 -2 4314.12 1919.58 5 10 -4 -1 2782.85 1302.12 5 10 -4 0 3059.53 2047.03 5 10 -4 1 1005.49 1106.31 5 10 -4 2 3580.38 1888.34 5 10 -4 3 1218.66 857.994 5 10 -4 4 4979.59 2002.47 5 10 -4 5 3712.02 2186.50 5 10 -4 6 358.488 818.958 5 10 -4 7 728.737 1071.28 5 10 -4 8 986.924 1533.96 5 10 -4 9 1805.06 1656.55 5 10 -3 -11 2182.32 1092.95 5 10 -3 -10 103.876 414.571 5 10 -3 -9 4390.54 1994.54 5 10 -3 -8 901.332 842.433 5 10 -3 -7 2676.86 1611.92 5 10 -3 -6-230.434 948.904 5 10 -3 -5 1028.76 1071.98 5 10 -3 -4 875.342 1165.73 5 10 -3 -3-621.029 1174.19 5 10 -3 -2 6134.84 2006.70 5 10 -3 -1 7471.97 2439.39 5 10 -3 0 5904.17 2511.84 5 10 -3 1 16260.8 3762.24 5 10 -3 2 5704.50 2371.53 5 10 -3 3 7457.08 2413.06 5 10 -3 4 1085.17 1438.58 5 10 -3 5 3468.89 1900.76 5 10 -3 6 2683.94 1740.22 5 10 -3 7 2008.42 1625.14 5 10 -3 8 894.818 1190.15 5 10 -3 9 1873.31 1544.54 5 10 -2 -11 3049.94 1956.14 5 10 -2 -10 271.217 701.497 5 10 -2 -9 787.649 350.456 5 10 -2 -8 2606.38 1612.70 5 10 -2 -7 936.024 896.481 5 10 -2 -6 1107.47 913.728 5 10 -2 -5 7195.01 2581.38 5 10 -2 -4 6957.96 2463.30 5 10 -2 -3 4844.91 1898.72 5 10 -2 -2 1031.96 1250.27 5 10 -2 -1 3839.17 1856.30 5 10 -2 0 819.381 985.186 5 10 -2 1 453.655 664.120 5 10 -2 2 739.090 1071.89 5 10 -2 3 2068.02 1559.29 5 10 -2 4 2803.31 1830.24 5 10 -2 5 2637.29 1605.95 5 10 -2 6 7333.02 2626.13 5 10 -2 7 7181.81 3084.23 5 10 -2 8 2373.97 1782.19 5 10 -1 -11 330.338 620.182 5 10 -1 -10-1425.42 1175.36 5 10 -1 -9 1614.93 1366.29 5 10 -1 -8 8085.06 2676.15 5 10 -1 -7 6023.13 2233.36 5 10 -1 -6 3608.05 1718.28 5 10 -1 -5 256.769 326.236 5 10 -1 -4-496.549 566.679 5 10 -1 -3 4866.99 2644.55 5 10 -1 -2 3267.63 1451.80 5 10 -1 -1 10929.4 3065.02 5 10 -1 0 10148.0 3134.19 5 10 -1 1 5447.62 2570.04 5 10 -1 2 4162.45 1994.13 5 10 -1 3 3700.88 1943.20 5 10 -1 4 2090.02 1804.58 5 10 -1 5-3563.00 1739.91 5 10 -1 6 1284.95 868.867 5 10 -1 7 1081.99 1532.25 5 10 -1 8 2987.94 1889.18 5 10 0 -10 531.254 808.603 5 10 0 -9 2297.46 1246.26 5 10 0 -8 1483.12 1284.73 5 10 0 -7 3087.68 1726.33 5 10 0 -6 6025.09 2505.82 5 10 0 -5 4897.08 2180.15 5 10 0 -4 6829.22 2487.45 5 10 0 -3 7695.45 2963.24 5 10 0 -2 3468.30 1506.05 5 10 0 -1 5295.83 2281.15 5 10 0 0 633.237 504.788 5 10 0 1 1128.73 1589.85 5 10 0 2 2848.16 1291.07 5 10 0 3 1492.27 1295.95 5 10 0 4 5616.24 2514.74 5 10 0 5 2548.50 1767.07 5 10 0 6 4322.11 2213.06 5 10 0 7-2040.84 1364.68 5 10 0 8 769.535 293.150 5 10 1 -9 948.156 849.178 5 10 1 -8 6271.64 2640.32 5 10 1 -7 6900.40 2771.98 5 10 1 -6 1884.71 1331.33 5 10 1 -5 1756.55 1751.99 5 10 1 -4 831.263 1367.38 5 10 1 -3 2838.20 2200.00 5 10 1 -2 7620.46 4256.16 5 10 1 -1 12463.8 3389.22 5 10 1 0 9526.56 3139.21 5 10 1 1 2441.22 2115.99 5 10 1 2 7300.56 2696.49 5 10 1 3 5116.58 2441.60 5 10 1 4 2666.90 1195.11 5 10 1 5 2408.30 1901.70 5 10 1 6 329.686 650.341 5 10 1 7-281.319 982.260 5 10 1 8 2103.64 1689.07 5 10 2 -9-598.477 1186.55 5 10 2 -8 2727.71 1464.32 5 10 2 -7 321.293 863.393 5 10 2 -6 2407.77 1305.20 5 10 2 -5 9929.22 3204.56 5 10 2 -4 2589.59 1554.45 5 10 2 -3 8081.99 2918.47 5 10 2 -2 2931.64 2208.38 5 10 2 -1 4267.91 1792.10 5 10 2 0 80.5485 715.399 5 10 2 1 119.003 648.248 5 10 2 2 174.373 667.538 5 10 2 3 4850.98 1841.93 5 10 2 4 4259.47 2381.19 5 10 2 5 4332.87 2052.97 5 10 2 6 6529.47 2508.73 5 10 2 7 8017.34 2894.51 5 10 3 -8 2299.17 1495.83 5 10 3 -7 2397.74 1426.80 5 10 3 -6 1996.38 1263.83 5 10 3 -5-1477.48 1209.49 5 10 3 -4 1243.82 1041.04 5 10 3 -3 1698.90 1455.48 5 10 3 -2 6705.86 2714.38 5 10 3 -1 2596.03 2467.55 5 10 3 0 7714.34 2845.97 5 10 3 1 28242.9 5130.32 5 10 3 2 4722.15 2326.54 5 10 3 3 6508.99 2697.88 5 10 3 4 1706.51 1567.76 5 10 3 5 6674.44 2706.35 5 10 3 6 2663.73 1741.02 5 10 4 -7 1706.45 1637.41 5 10 4 -6 1548.92 947.942 5 10 4 -5 2506.66 1111.08 5 10 4 -4 2976.18 1843.80 5 10 4 -3 5572.51 2851.91 5 10 4 -2 6949.40 3036.09 5 10 4 -1 3732.23 1974.27 5 10 4 0 3401.02 1749.76 5 10 4 1 3410.36 1910.29 5 10 4 2 2203.52 1420.34 5 10 4 3 4167.62 2158.04 5 10 4 4 2284.16 1271.68 5 10 4 5 4645.02 2096.94 5 10 5 -5-791.396 1110.53 5 10 5 -4-889.141 466.295 5 10 5 -3 1811.40 2022.85 5 10 5 -2 2140.05 1833.69 5 10 5 -1 1508.41 671.306 5 10 5 0 3122.89 1533.11 5 10 5 1 10159.9 3285.50 5 10 5 2 2546.93 1357.08 5 10 5 3 3801.52 2216.81 5 10 5 4 1587.91 1380.94 5 10 6 -2 847.392 929.940 5 10 6 -1 2197.56 1742.72 5 10 6 0 2957.70 1505.12 5 10 6 1 314.064 996.136 5 10 6 2 699.304 1048.18 5 11 -5 -1 3242.55 2003.62 5 11 -5 0 2502.72 1929.56 5 11 -5 1 1825.96 1183.73 5 11 -5 2 494.729 1077.55 5 11 -5 3 3731.35 1894.47 5 11 -5 4 1397.25 1143.99 5 11 -5 5 1998.28 1574.96 5 11 -4 -8 1031.69 1591.23 5 11 -4 -7 6450.93 2725.22 5 11 -4 -6 650.935 1133.21 5 11 -4 -5 3793.76 1698.63 5 11 -4 -4 936.107 1255.11 5 11 -4 -3 531.662 81.7619 5 11 -4 -2-605.739 748.355 5 11 -4 -1 1249.87 965.989 5 11 -4 0 1486.75 1277.88 5 11 -4 1 4042.73 2230.37 5 11 -4 2-368.918 830.297 5 11 -4 3 212.823 662.797 5 11 -4 4 3698.68 2074.13 5 11 -4 5 5369.19 2464.91 5 11 -4 6 1280.23 773.984 5 11 -3 -9 678.003 866.814 5 11 -3 -8 1191.91 1137.78 5 11 -3 -7 589.074 679.592 5 11 -3 -6-159.721 266.427 5 11 -3 -5 1633.82 1335.31 5 11 -3 -4 44.4276 1383.82 5 11 -3 -3 5305.79 2203.16 5 11 -3 -2 735.165 957.537 5 11 -3 -1 11018.9 3170.53 5 11 -3 0 914.916 951.582 5 11 -3 1 6039.87 2747.15 5 11 -3 2 2141.11 1848.40 5 11 -3 3 485.462 650.396 5 11 -3 4 479.863 1055.00 5 11 -3 5 891.627 1617.68 5 11 -2 -8 1439.74 759.782 5 11 -2 -7 3779.58 1791.61 5 11 -2 -6 4506.26 2082.52 5 11 -2 -5 4174.36 2297.99 5 11 -2 -4 50.6664 927.357 5 11 -2 -3 399.579 316.657 5 11 -2 -2 1291.18 1384.10 5 11 -2 -1 1453.88 1228.59 5 11 -2 0-1070.77 989.115 5 11 -2 1 3450.28 1969.78 5 11 -2 2 2840.45 1876.39 5 11 -2 3 4935.05 2323.36 5 11 -2 4 5720.11 2377.63 5 11 -2 5 1914.07 1176.93 5 11 -1 -7 1709.43 1955.54 5 11 -1 -6 2468.62 1886.76 5 11 -1 -5 1915.42 1182.98 5 11 -1 -4 2863.61 1589.32 5 11 -1 -3 3495.02 1748.34 5 11 -1 -2 2998.35 1223.83 5 11 -1 -1 12471.4 3599.36 5 11 -1 0 2193.34 1875.46 5 11 -1 1 7673.84 2997.16 5 11 -1 2 1360.91 964.169 5 11 -1 3 1750.79 1738.26 5 11 -1 4 2044.52 1421.52 5 11 -1 5 1258.77 1416.72 5 11 0 -6 586.241 1081.81 5 11 0 -5 4161.65 2322.62 5 11 0 -4 4322.76 2450.27 5 11 0 -3 2801.63 1654.14 5 11 0 -2 1118.73 958.670 5 11 0 -1 1878.17 1594.76 5 11 0 0 1721.24 1265.36 5 11 0 1 2156.90 1667.71 5 11 0 2 6771.74 2721.03 5 11 0 3 5555.24 2714.34 5 11 0 4 6806.12 2736.33 5 11 1 -5 892.135 1457.57 5 11 1 -4 2097.39 1806.21 5 11 1 -3 4566.85 2245.95 5 11 1 -2 4258.31 1956.47 5 11 1 -1 7770.25 2940.74 5 11 1 0 3669.54 2153.62 5 11 1 1 12285.0 3718.00 5 11 1 2 949.089 1206.21 5 11 1 3 2300.86 2062.10 5 11 2 -4 1665.80 708.194 5 11 2 -3 1374.74 1220.01 5 11 2 -2 271.773 1342.57 5 11 2 -1 910.113 1057.30 5 11 2 0 1396.59 1449.12 5 11 2 1 863.895 1291.76 5 11 2 2 3529.69 1882.36 5 0 0 0 0.00 0.00 0 TITL 78-3 in P2(1) REM P2(1) (#4 in standard setting) CELL 0.71073 8.982414 10.384544 15.312273 90.0000 92.0793 90.0000 ZERR 6.00 0.001198 0.001123 0.002171 0.0000 0.0133 0.0000 LATT -1 SYMM -x, y+1/2,-z SFAC C H N O UNIT 66.00 60.00 6.00 6.00 TREF HKLF 4 END ; _shelx_hkl_checksum 28260 _olex2_submission_special_instructions 'No special instructions were received' _oxdiff_exptl_absorpt_empirical_details ; Empirical correction (ABSPACK) includes: - Absorption correction using spherical harmonics - Frame scaling ; _oxdiff_exptl_absorpt_empirical_full_max 2.158 _oxdiff_exptl_absorpt_empirical_full_min 0.412