#------------------------------------------------------------------------------ #$Date: 2021-12-07 05:54:57 +0200 (Tue, 07 Dec 2021) $ #$Revision: 271226 $ #$URL: file:///home/coder/svn-repositories/cod/cif/7/15/83/7158386.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_7158386 loop_ _publ_author_name 'Goryaeva, Marina V.' 'Kushch, Svetlana O.' 'Burgart, Yanina V.' 'Ezhikova, Marina A.' 'Kodess, Mikhail I.' 'Slepukhin, Pavel A.' 'Triandafilova, Galina A.' 'Krasnykh, Olga P.' 'Yakovleva, Ekaterina I.' 'Zarubaev, Vladimir V.' 'Sinegubova, Ekaterina O.' 'Esaulkova, Iana L.' 'Shtro, Anna A.' 'Galochkina, Anastasia V.' 'Nikolaeva, Yulia V.' 'Saloutin, Victor I.' _publ_section_title ; New heteroanalogs of tricyclic ascidian alkaloids: synthesis and biological activity. ; _journal_issue 45 _journal_name_full 'Organic & biomolecular chemistry' _journal_page_first 9925 _journal_page_last 9935 _journal_paper_doi 10.1039/d1ob01843d _journal_volume 19 _journal_year 2021 _chemical_absolute_configuration unk _chemical_formula_moiety 'C12 H17 F3 N2 O2' _chemical_formula_sum 'C12 H17 F3 N2 O2' _chemical_formula_weight 278.276 _space_group_crystal_system orthorhombic _space_group_IT_number 19 _space_group_name_Hall 'P 2ac 2ab' _space_group_name_H-M_alt 'P 21 21 21' _symmetry_Int_Tables_number 19 _atom_sites_solution_primary iterative _audit_creation_date 2020-06-04 _audit_creation_method ; Olex2 1.3 (compiled 2020.02.04 svn.rd84adfe8 for OlexSys, GUI svn.r6032) ; _audit_update_record ; 2021-09-04 deposited with the CCDC. 2021-10-28 downloaded from the CCDC. ; _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 5.5102(5) _cell_length_b 9.0870(9) _cell_length_c 25.588(3) _cell_measurement_reflns_used 1442 _cell_measurement_temperature 295(2) _cell_measurement_theta_max 28.9280 _cell_measurement_theta_min 3.9070 _cell_volume 1281.2(2) _computing_cell_refinement 'CrysAlisPro 1.171.39.38a (Rigaku OD, 2017)' _computing_data_collection 'CrysAlisPro 1.171.39.38a (Rigaku OD, 2017)' _computing_data_reduction 'CrysAlisPro 1.171.39.38a (Rigaku OD, 2017)' _computing_molecular_graphics 'Olex2 1.3 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 1.3 (Dolomanov et al., 2009)' _computing_structure_refinement 'olex2.refine 1.3 (Bourhis et al., 2015)' _computing_structure_solution 'olex2.solve 1.3 (Bourhis et al., 2015)' _diffrn_ambient_temperature 295(2) _diffrn_detector 'CCD plate' _diffrn_detector_area_resol_mean 16.5253 _diffrn_detector_type Sapphire3 _diffrn_measured_fraction_theta_full 0.9860 _diffrn_measured_fraction_theta_max 0.8789 _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 23.00 76.10 0.30 10.00 -- 22.36-133.00 29.00 177 2 \w -45.00 25.20 0.30 10.00 -- -24.08 19.00-120.00 234 3 \w 37.00 87.10 0.30 10.00 -- 22.36 57.00-120.00 167 ; _diffrn_measurement_device 'four-circle diffractometer' _diffrn_measurement_device_type 'Xcalibur, Sapphire3' _diffrn_measurement_method '\w scans' _diffrn_orient_matrix_type 'CrysAlisPro convention (1999,Acta A55,543-557)' _diffrn_orient_matrix_UB_11 0.0288543000 _diffrn_orient_matrix_UB_12 -0.0673595000 _diffrn_orient_matrix_UB_13 -0.0125646000 _diffrn_orient_matrix_UB_21 -0.0133080000 _diffrn_orient_matrix_UB_22 0.0345168000 _diffrn_orient_matrix_UB_23 -0.0247235000 _diffrn_orient_matrix_UB_31 0.1246161000 _diffrn_orient_matrix_UB_32 0.0192237000 _diffrn_orient_matrix_UB_33 0.0002686000 _diffrn_radiation_monochromator graphite _diffrn_radiation_probe x-ray _diffrn_radiation_type 'Mo K\a' _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0401 _diffrn_reflns_av_unetI/netI 0.0434 _diffrn_reflns_Laue_measured_fraction_full 0.9860 _diffrn_reflns_Laue_measured_fraction_max 0.8789 _diffrn_reflns_limit_h_max 7 _diffrn_reflns_limit_h_min -6 _diffrn_reflns_limit_k_max 12 _diffrn_reflns_limit_k_min -10 _diffrn_reflns_limit_l_max 30 _diffrn_reflns_limit_l_min -34 _diffrn_reflns_number 5041 _diffrn_reflns_point_group_measured_fraction_full 0.9860 _diffrn_reflns_point_group_measured_fraction_max 0.8789 _diffrn_reflns_theta_full 26.0000 _diffrn_reflns_theta_max 30.73 _diffrn_reflns_theta_min 3.78 _diffrn_source 'fine-focus sealed X-ray tube' _diffrn_source_type 'Enhance (Mo) X-ray Source' _exptl_absorpt_coefficient_mu 0.127 _exptl_absorpt_correction_T_max 1.00000 _exptl_absorpt_correction_T_min 0.24158 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; CrysAlisPro 1.171.39.38a (Rigaku Oxford Diffraction, 2017) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. ; _exptl_crystal_colour colourless _exptl_crystal_colour_primary colourless _exptl_crystal_density_diffrn 1.443 _exptl_crystal_description block _exptl_crystal_F_000 584.427 _exptl_crystal_size_max 0.43 _exptl_crystal_size_mid 0.36 _exptl_crystal_size_min 0.19 _refine_diff_density_max 0.2770 _refine_diff_density_min -0.3309 _refine_diff_density_rms 0.0691 _refine_ls_d_res_high 0.6955 _refine_ls_d_res_low 5.3867 _refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^ _refine_ls_goodness_of_fit_ref 1.0116 _refine_ls_hydrogen_treatment mixed _refine_ls_matrix_type full _refine_ls_number_constraints 21 _refine_ls_number_parameters 185 _refine_ls_number_reflns 2039 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.0116 _refine_ls_R_factor_all 0.0772 _refine_ls_R_factor_gt 0.0570 _refine_ls_shift/su_max 0.0003 _refine_ls_shift/su_mean 0.0000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.1P)^2^+0.0410P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1429 _refine_ls_wR_factor_ref 0.1783 _reflns_Friedel_coverage 0.0 _reflns_limit_h_max 7 _reflns_limit_h_min 0 _reflns_limit_k_max 12 _reflns_limit_k_min 0 _reflns_limit_l_max 34 _reflns_limit_l_min 0 _reflns_number_gt 1458 _reflns_number_total 2039 _reflns_threshold_expression I>=2u(I) _iucr_refine_instructions_details ; TITL CELL 0.71073 5.510151 9.086959 25.587909 90 90 90 ZERR 4 0.000533 0.000875 0.002599 0 0 0 LATT -1 SYMM 0.5-X,-Y,0.5+Z SYMM 0.5+X,0.5-Y,-Z SYMM -X,0.5+Y,0.5-Z SFAC C H F N O UNIT 48 68 12 8 8 L.S. 10 PLAN 20 SIZE 0.43 0.36 0.19 TEMP 22(2) CONF FMAP 2 MORE -1 ACTA 52 BOND $H HTAB EXTI 0.016985 MERG 4 OMIT 2 0 0 OMIT 1 5 33 OMIT 4 1 1 OMIT 5 8 16 OMIT 3 0 2 OMIT 5 3 10 WGHT 0.1 0.041 FVAR 6.286485 REM REM REM F1 3 -0.91597 0.00548 -0.58639 11.00000 0.10619 0.03969 0.07599 = -0.01116 -0.00807 0.01348 O2 5 -0.56099 -0.23201 -0.58447 11.00000 0.04155 0.04447 0.05074 = -0.01165 -0.00549 -0.00236 O1 5 -0.98413 -0.46171 -0.49172 11.00000 0.08925 0.05575 0.04196 = -0.00347 0.02409 0.00010 N1 4 -0.84426 -0.53854 -0.56937 11.00000 0.05175 0.03741 0.03626 = -0.00285 0.00673 -0.00425 F3 3 -0.71197 -0.03042 -0.65586 11.00000 0.10719 0.05331 0.08902 = 0.02094 0.01451 -0.01124 N2 4 -0.48733 -0.53868 -0.61573 11.00000 0.04356 0.04508 0.05723 = -0.00019 0.00646 0.00434 F2 3 -1.08194 -0.09922 -0.65199 11.00000 0.09216 0.06853 0.07851 = 0.00951 -0.03544 0.01635 C8 1 -0.72601 -0.61341 -0.71406 11.00000 0.09849 0.06930 0.04387 = -0.02097 0.01378 -0.00561 AFIX 23 H8a 2 -0.55472 -0.63654 -0.71107 11.00000 -1.20000 H8b 2 -0.79819 -0.68290 -0.73828 11.00000 -1.20000 AFIX 0 C6 1 -0.67606 -0.33931 -0.69661 11.00000 0.08476 0.05767 0.03453 = 0.00100 0.01087 -0.00675 AFIX 23 H6a 2 -0.71246 -0.24261 -0.71061 11.00000 -1.20000 H6b 2 -0.50254 -0.34547 -0.69061 11.00000 -1.20000 AFIX 0 C2 1 -0.93702 -0.43463 -0.53812 11.00000 0.04641 0.04214 0.03901 = -0.00589 0.00641 -0.00439 C5 1 -0.81385 -0.36278 -0.64478 11.00000 0.05014 0.04063 0.03599 = -0.00205 0.00117 -0.00165 C12 1 -0.70727 -0.66147 -0.54634 11.00000 0.06885 0.03822 0.05248 = 0.00179 0.00768 -0.00070 AFIX 23 H12a 2 -0.67284 -0.64381 -0.50970 11.00000 -1.20000 H12b 2 -0.79517 -0.75345 -0.54978 11.00000 -1.20000 AFIX 0 C9 1 -0.84681 -0.62986 -0.66040 11.00000 0.07012 0.04584 0.04997 = -0.01697 0.00122 -0.00738 AFIX 23 H9a 2 -1.02102 -0.61805 -0.66388 11.00000 -1.20000 H9b 2 -0.81528 -0.72747 -0.64664 11.00000 -1.20000 AFIX 0 C11 1 -0.47272 -0.66312 -0.57897 11.00000 0.06136 0.04658 0.07416 = 0.00509 0.00537 0.01170 AFIX 23 H11a 2 -0.45859 -0.75517 -0.59792 11.00000 -1.20000 H11b 2 -0.33220 -0.65257 -0.55645 11.00000 -1.20000 AFIX 0 C1 1 -0.87503 -0.09122 -0.62483 11.00000 0.07290 0.04055 0.05264 = 0.00169 -0.00859 0.00034 C4 1 -0.80052 -0.24264 -0.60334 11.00000 0.04267 0.03661 0.03957 = -0.00277 -0.00472 -0.00275 C10 1 -0.74705 -0.51370 -0.62265 11.00000 0.04377 0.03943 0.03565 = -0.00668 0.00922 -0.00525 C3 1 -0.97687 -0.28224 -0.55990 11.00000 0.04295 0.04107 0.04588 = -0.00968 0.00075 0.00090 AFIX 23 H3a 2 -1.14125 -0.27544 -0.57324 11.00000 -1.20000 H3b 2 -0.96053 -0.21115 -0.53184 11.00000 -1.20000 AFIX 0 C7 1 -0.75473 -0.45829 -0.73547 11.00000 0.11346 0.08353 0.03700 = -0.00937 0.00919 -0.00127 AFIX 23 H7a 2 -0.65883 -0.44891 -0.76709 11.00000 -1.20000 H7b 2 -0.92343 -0.44247 -0.74474 11.00000 -1.20000 AFIX 0 H5 2 -0.97941 -0.37327 -0.65195 11.00000 0.07977 H2 2 -0.54622 -0.15827 -0.56028 11.00000 0.05188 H2a 2 -0.43640 -0.45528 -0.59851 11.00000 0.07190 HKLF 4 END Q7 1 -1.1 -0.333333 -0.635417 11 0.05 0.22 Q8 1 -0.85 -0.888889 -0.552083 11 0.05 0.22 Q9 1 -0.95 -0.055556 -0.5 11 0.05 0.21 Q14 1 -0.6 -0.25 -0.583333 11 0.05 0.2 Q6 1 -0.85 -0.805556 -0.59375 11 0.05 0.23 Q5 1 -0.85 -0.555556 -0.572917 11 0.05 0.24 Q4 1 -0.8 -0.361111 -0.645833 11 0.05 0.24 Q10 1 -0.75 -0.138889 -0.65625 11 0.05 0.21 Q1 1 -0.95 -0.25 -0.583333 11 0.05 0.28 Q3 1 -0.8 -0.833333 -0.666667 11 0.05 0.25 Q15 1 -0.7 0.111111 -0.697917 11 0.05 0.2 Q11 1 -0.8 0 -0.59375 11 0.05 0.21 Q17 1 -0.6 -0.388889 -0.5625 11 0.05 0.2 Q2 1 -0.85 -0.166667 -0.625 11 0.05 0.26 Q12 1 -0.75 -0.527778 -0.625 11 0.05 0.21 Q13 1 -0.85 -0.361111 -0.5 11 0.05 0.21 Q18 1 -0.85 -0.361111 -0.5625 11 0.05 0.2 Q19 1 -0.9 -0.694444 -0.59375 11 0.05 0.19 Q20 1 -0.45 -0.555556 -0.5 11 0.05 0.19 Q16 1 -0.95 -0.611111 -0.541667 11 0.05 0.2 REM The information below was added by Olex2. REM REM R1 = 0.0570 for 1458 Fo > 4sig(Fo) and 0.0772 for all 2039 data REM 185 parameters refined using 0 restraints REM Highest difference peak 0.2770, deepest hole -0.3309 REM Mean Shift 0.0000, Max Shift 0.0003. REM +++ Tabular Listing of Refinement Information +++ REM R1_all = 0.0772 REM R1_gt = 0.0570 REM wR_ref = 0.1783 REM GOOF = 1.0116 REM Shift_max = 0.0003 REM Shift_mean = 0.0000 REM Reflections_all = 2039 REM Reflections_gt = 1458 REM Parameters = 185 REM Hole = -0.3309 REM Peak = 0.2770 REM Flack = n/a ; _cod_data_source_file d1ob01843d2.cif _cod_data_source_block exp_767 _cod_depositor_comments 'Adding full bibliography for 7158386--7158394.cif.' _cod_original_sg_symbol_Hall ' P 2ac 2ab' _cod_database_code 7158386 _reflns_odcompleteness_completeness 98.79 _reflns_odcompleteness_iscentric 1 _reflns_odcompleteness_theta 28.22 _olex2_refinement_description ; 1. Fixed Uiso At 1.2 times of: All C(H,H) groups 2.a Secondary CH2 refined with riding coordinates: C9(H9a,H9b), C8(H8a,H8b), C7(H7a,H7b), C6(H6a,H6b), C11(H11a,H11b), C12(H12a, H12b), C3(H3a,H3b) ; _iucr_refine_fcf_details ; data_exp_767_CCDC1 _computing_structure_refinement 'olex2.refine 1.3 (Bourhis et al., 2015)' _shelx_refln_list_code 4 loop_ _space_group_symop_id _space_group_symop_operation_xyz 1 x,y,z 2 x+1/2,-y+1/2,-z 3 -x,y+1/2,-z+1/2 4 -x+1/2,-y,z+1/2 _space_group_crystal_system orthorhombic _space_group_IT_number 19 _space_group_name_H-M_alt 'P 21 21 21' _space_group_name_Hall ' P 2ac 2ab' _symmetry_space_group_name_H-M 'P 21 21 21' _symmetry_space_group_name_Hall ' P 2ac 2ab' _symmetry_Int_Tables_number 19 _cell_length_a 5.5102(5) _cell_length_b 9.0870(9) _cell_length_c 25.588(3) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1281.2(2) loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_calc _refln_F_squared_meas _refln_F_squared_sigma _refln_F_squared_weight _refln_observed_status 0 0 6 1536.540 1268.940 21.397 0.016 o 0 0 8 1.007 -2.032 1.173 246.947 o 0 0 10 578.334 549.194 17.303 0.098 o 0 0 12 834.629 857.249 23.475 0.045 o 0 0 14 1650.540 1737.150 36.874 0.012 o 0 0 16 226.971 211.325 13.688 0.505 o 0 0 18 1.496 7.089 2.625 48.664 o 0 0 20 119.720 129.920 12.214 1.136 o 0 0 22 46.618 45.567 7.694 4.211 o 0 0 24 70.246 65.587 9.945 2.333 o 0 0 26 248.222 265.722 21.172 0.315 o 0 0 28 17.696 25.141 6.833 6.735 o 0 0 30 1.032 1.102 0.363 1865.730 o 0 0 32 0.716 2.993 2.828 42.989 o 0 1 4 404.062 449.725 11.979 0.181 o 0 1 5 470.691 436.638 11.828 0.153 o 0 1 6 3026.090 3054.700 27.701 0.004 o 0 1 7 134.892 134.117 10.332 1.184 o 0 1 8 1111.290 1028.070 44.996 0.025 o 0 1 9 14.021 13.966 1.863 57.861 o 0 1 10 912.569 837.442 20.959 0.042 o 0 1 11 139.522 157.017 7.672 1.258 o 0 1 12 127.090 183.514 7.876 1.237 o 0 1 13 46.476 101.871 95.699 0.038 o 0 1 14 2046.280 2064.960 28.154 0.008 o 0 1 15 35.757 134.961 137.613 0.018 o 0 1 16 650.900 618.647 16.780 0.079 o 0 1 17 112.764 130.463 23.802 0.488 o 0 1 18 133.814 145.664 8.810 1.272 o 0 1 19 9.762 6.427 2.194 58.703 o 0 1 20 0.688 2.222 1.752 110.858 o 0 1 21 207.567 216.289 11.990 0.584 o 0 1 22 70.337 62.390 6.844 3.641 o 0 1 23 91.521 90.505 8.394 2.208 o 0 1 24 198.768 202.921 12.742 0.608 o 0 1 25 3.427 7.787 2.628 47.290 o 0 1 26 29.227 33.648 5.561 8.351 o 0 1 27 0.211 2.957 1.580 135.987 o 0 1 28 9.350 6.163 3.158 31.582 o 0 1 29 0.897 0.218 0.771 554.936 o 0 1 30 8.091 7.368 3.928 21.232 o 0 1 31 4.815 5.366 3.131 33.866 o 0 1 32 0.516 -3.512 3.507 28.219 o 0 1 33 0.000 0.366 1.370 184.490 o 0 1 34 0.131 1.035 2.427 58.775 o 0 2 0 6162.600 5649.880 147.394 0.001 o 0 2 1 3872.980 3381.190 44.082 0.002 o 0 2 2 64.559 47.165 1.863 8.598 o 0 2 3 3745.910 3326.460 43.877 0.003 o 0 2 4 245.659 184.043 8.085 0.598 o 0 2 10 143.873 137.297 9.270 1.188 o 0 2 11 317.468 300.841 14.431 0.291 o 0 2 12 109.242 117.138 9.337 1.602 o 0 2 13 6.311 3.171 1.573 117.105 o 0 2 14 88.058 80.210 8.414 2.359 o 0 2 15 394.930 387.959 18.818 0.182 o 0 2 16 34.532 36.750 6.012 6.944 o 0 2 17 133.093 129.298 11.636 1.104 o 0 2 18 61.417 54.572 3.841 6.663 o 0 2 19 449.408 450.100 22.620 0.136 o 0 2 20 165.138 158.557 14.049 0.740 o 0 2 21 28.617 32.574 6.744 6.241 o 0 2 22 21.519 14.909 4.592 13.564 o 0 2 23 140.862 147.244 15.039 0.796 o 0 2 24 59.645 58.873 9.862 2.574 o 0 2 25 64.627 60.944 10.053 2.415 o 0 2 26 110.665 119.733 14.644 0.997 o 0 2 27 24.367 21.712 6.398 7.327 o 0 2 28 0.815 6.004 3.564 26.987 o 0 2 29 17.018 13.713 5.097 11.912 o 0 2 30 0.118 0.064 1.197 241.711 o 0 2 31 18.942 19.061 6.521 7.407 o 0 2 32 7.074 9.351 4.836 14.284 o 0 2 33 19.589 23.294 7.506 5.647 o 0 2 34 2.513 7.223 4.558 16.456 o 0 3 1 91.779 96.971 4.513 3.112 o 0 3 2 2411.010 2007.250 35.487 0.007 o 0 3 3 147.098 119.237 5.222 1.559 o 0 3 4 246.546 213.690 7.138 0.564 o 0 3 5 2573.050 2527.610 36.134 0.005 o 0 3 6 1446.040 1462.980 29.161 0.016 o 0 3 7 6636.540 7104.350 67.001 0.001 o 0 3 13 59.445 74.236 7.915 3.255 o 0 3 14 399.559 414.153 19.713 0.170 o 0 3 15 11.656 11.248 3.547 24.159 o 0 3 16 632.997 688.762 27.106 0.069 o 0 3 17 24.101 22.527 5.208 10.324 o 0 3 18 518.706 557.848 25.529 0.099 o 0 3 19 9.574 8.835 2.979 34.299 o 0 3 20 0.279 1.579 1.783 108.175 o 0 3 21 259.097 258.407 18.802 0.336 o 0 3 22 141.338 133.536 13.655 0.903 o 0 3 23 0.418 1.013 1.814 104.614 o 0 3 24 58.680 47.545 8.625 3.251 o 0 3 25 58.234 65.734 10.505 2.320 o 0 3 26 30.049 28.903 7.310 5.475 o 0 3 27 2.242 3.130 2.352 60.964 o 0 3 28 19.367 26.904 7.290 5.906 o 0 3 29 0.000 0.671 1.317 199.081 o 0 3 30 2.763 5.634 3.520 27.401 o 0 3 31 0.224 -0.828 2.056 82.043 o 0 3 32 0.057 -0.414 1.770 110.876 o 0 3 33 0.132 0.779 1.270 213.401 o 0 3 34 9.022 9.472 4.909 13.722 o 0 4 0 1434.060 1330.060 27.320 0.017 o 0 4 1 803.487 742.346 14.510 0.054 o 0 4 2 2488.320 2329.990 25.864 0.006 o 0 4 3 142.481 135.002 6.224 1.445 o 0 4 4 366.911 351.464 10.401 0.243 o 0 4 5 2873.500 2675.270 29.070 0.004 o 0 4 6 3897.510 3826.630 51.242 0.002 o 0 4 7 80.885 91.463 8.279 2.425 o 0 4 8 78.686 98.702 8.897 2.234 o 0 4 9 50.623 41.673 6.008 5.720 o 0 4 10 1124.180 1299.770 34.979 0.023 o 0 4 11 0.689 1.373 1.870 98.082 o 0 4 12 701.421 910.514 34.578 0.048 o 0 4 15 11.764 10.824 3.001 32.216 o 0 4 16 62.690 50.636 7.456 3.759 o 0 4 17 182.848 163.183 14.094 0.672 o 0 4 18 0.281 -0.466 0.624 873.305 o 0 4 19 424.730 475.161 25.198 0.133 o 0 4 20 90.945 95.966 11.622 1.547 o 0 4 21 324.024 301.276 20.749 0.240 o 0 4 22 3.339 2.354 1.596 125.774 o 0 4 23 0.940 1.064 1.940 91.109 o 0 4 24 1.091 1.090 0.866 430.366 o 0 4 25 9.245 9.004 3.855 21.614 o 0 4 26 0.846 0.981 1.290 203.302 o 0 4 27 0.004 -3.676 2.959 39.677 o 0 4 28 4.841 10.116 4.641 15.621 o 0 4 29 0.286 1.460 1.693 119.811 o 0 4 30 3.070 0.162 1.631 124.582 o 0 4 31 6.927 3.380 2.941 37.706 o 0 4 32 0.640 0.545 1.253 217.361 o 0 4 33 7.441 3.722 3.207 31.813 o 0 5 1 1525.740 1403.630 22.780 0.015 o 0 5 2 4.603 4.759 1.318 161.929 o 0 5 3 291.599 287.797 10.257 0.362 o 0 5 4 6.269 5.149 1.247 162.097 o 0 5 5 161.765 157.424 7.845 1.069 o 0 5 6 141.432 128.763 10.532 1.140 o 0 5 7 3.490 3.110 1.346 168.410 o 0 5 8 128.689 112.442 10.002 1.352 o 0 5 9 38.427 33.846 5.840 7.057 o 0 5 10 153.812 146.230 12.414 0.893 o 0 5 11 21.140 19.829 4.680 12.849 o 0 5 12 104.556 125.698 12.282 1.241 o 0 5 13 391.207 437.071 23.713 0.156 o 0 5 14 851.228 927.971 35.547 0.039 o 0 5 15 356.743 369.082 22.589 0.190 o 0 5 16 61.981 75.201 10.704 2.153 o 0 5 17 10.058 13.928 3.031 31.752 o 0 5 18 271.837 332.458 54.779 0.090 o 0 5 19 58.046 61.026 9.285 2.813 o 0 5 20 28.515 24.436 6.035 7.737 o 0 5 21 26.210 27.629 6.676 6.582 o 0 5 22 4.776 3.171 2.243 64.513 o 0 5 23 63.971 54.339 9.475 2.689 o 0 5 24 40.339 40.624 8.216 4.063 o 0 5 25 35.141 38.931 8.390 4.081 o 0 5 26 0.698 0.293 0.382 2016.430 o 0 5 27 6.013 9.529 4.224 18.625 o 0 5 28 1.369 -1.840 2.514 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6.836 7.275 o 5 7 7 6.367 8.180 4.166 19.162 o 5 7 8 5.500 8.150 3.111 33.576 o 5 7 9 1.598 0.913 2.621 50.012 o 5 7 10 17.753 16.256 17.170 1.164 o 5 7 11 3.315 1.918 1.393 162.525 o 5 7 12 0.515 0.219 1.509 151.403 o 5 7 13 3.849 0.794 1.273 191.194 o 5 7 14 4.305 0.994 0.813 388.610 o 5 7 15 4.831 1.245 1.152 216.125 o 5 7 16 3.767 0.935 1.063 261.926 o 5 7 17 9.465 4.163 2.302 55.952 o 5 7 18 1.369 0.280 2.052 81.488 o 5 8 0 7.124 7.565 4.607 15.755 o 5 8 1 4.844 6.498 3.292 30.612 o 5 8 2 5.702 10.398 3.781 22.978 o 5 8 3 12.065 19.297 6.469 7.801 o 5 8 4 4.648 4.855 2.405 56.046 o 5 8 5 3.212 3.748 2.287 63.370 o 5 8 6 4.314 8.707 7.034 6.941 o 5 8 7 10.782 20.604 8.854 4.292 o 5 8 8 18.734 26.734 12.635 2.104 o 5 8 9 2.013 1.680 2.706 46.727 o 5 8 10 1.468 1.193 1.369 178.208 o 5 8 11 9.775 10.150 10.016 3.416 o 5 8 12 0.439 1.127 1.419 169.958 o 5 8 13 10.194 3.543 2.733 41.198 o 5 8 14 1.701 0.252 0.857 434.512 o 5 8 15 0.435 -0.684 2.699 47.603 o 5 8 17 2.801 0.950 1.382 169.703 o 6 0 0 8.976 7.569 3.286 29.267 o 6 0 1 6.338 7.521 2.305 57.518 o 6 0 2 1.192 -1.847 1.500 151.730 o 6 0 3 4.566 2.601 1.359 160.925 o 6 0 4 1.288 0.361 0.756 559.101 o 6 0 5 3.627 5.797 2.255 63.692 o 6 0 6 1.126 0.424 1.928 92.395 o 6 0 7 1.159 0.705 1.054 298.993 o 6 0 8 2.851 2.535 1.328 177.949 o 6 0 9 0.971 0.417 1.081 287.697 o 6 0 10 0.000 -0.349 0.612 926.629 o 6 0 11 2.582 1.080 0.897 372.054 o 6 0 12 1.727 0.880 0.755 534.933 o 6 0 13 4.054 1.302 2.464 55.178 o 6 0 14 6.626 1.846 2.866 40.066 o 6 0 15 0.174 0.323 0.519 1246.960 o 6 0 16 12.746 6.351 2.389 47.803 o 6 0 17 1.032 1.355 1.169 243.759 o 6 0 18 6.100 3.403 1.895 85.264 o 6 1 0 9.575 12.497 3.357 27.110 o 6 1 1 7.482 8.300 1.798 83.701 o 6 1 2 25.241 31.317 3.576 16.280 o 6 1 3 7.259 9.623 1.990 70.388 o 6 1 4 0.672 1.286 0.928 384.093 o 6 1 5 6.823 6.210 1.493 118.177 o 6 1 6 3.625 5.097 1.399 151.363 o 6 1 7 1.132 1.203 0.611 800.253 o 6 1 8 0.608 0.646 0.621 838.317 o 6 1 9 4.425 1.930 1.047 253.162 o 6 1 10 35.935 38.075 4.039 11.120 o 6 1 11 2.665 2.169 0.785 445.023 o 6 1 12 16.379 17.841 2.772 30.971 o 6 1 13 3.731 1.237 1.750 106.364 o 6 1 14 3.642 1.058 1.971 85.243 o 6 1 15 5.839 3.150 2.963 37.654 o 6 1 16 3.565 2.374 1.382 162.400 o 6 1 17 3.245 2.938 1.642 118.840 o 6 1 18 9.184 9.729 3.213 29.996 o 6 2 0 4.364 6.676 3.609 25.736 o 6 2 1 1.686 0.648 1.105 268.606 o 6 2 2 16.094 15.177 3.605 21.532 o 6 2 3 7.290 7.615 2.294 56.834 o 6 2 4 0.353 -0.609 0.895 428.483 o 6 2 5 9.734 12.519 3.275 28.244 o 6 2 6 2.056 1.651 3.285 31.851 o 6 2 7 0.037 -0.064 0.883 444.759 o 6 2 8 13.528 17.650 4.029 18.221 o 6 2 9 0.607 0.884 0.940 379.149 o 6 2 10 5.631 5.387 2.231 63.015 o 6 2 11 0.323 2.340 1.650 125.315 o 6 2 12 15.067 10.183 6.187 8.549 o 6 2 13 4.813 4.200 4.425 17.388 o 6 2 14 6.027 5.793 2.492 51.042 o 6 2 15 2.173 0.436 0.838 438.327 o 6 2 16 3.790 0.653 0.923 334.173 o 6 2 17 5.016 2.986 1.667 110.445 o 6 2 18 3.387 0.609 0.672 567.059 o 6 2 19 7.205 5.327 4.992 13.561 o 6 2 20 0.645 0.261 1.542 144.741 o 6 2 21 2.029 1.251 2.988 38.471 o 6 2 22 0.857 0.843 1.655 124.995 o 6 2 23 9.778 13.912 6.479 7.954 o 6 3 0 0.255 1.269 2.032 83.615 o 6 3 1 8.051 14.118 3.562 24.613 o 6 3 2 11.284 17.033 3.895 19.905 o 6 3 3 4.379 4.697 1.976 81.013 o 6 3 4 8.355 8.522 2.661 42.721 o 6 3 5 2.245 2.475 1.363 173.037 o 6 3 6 0.516 1.006 1.496 152.966 o 6 3 7 1.401 2.077 1.293 196.891 o 6 3 8 9.832 10.489 3.002 33.303 o 6 3 9 9.274 10.448 3.029 33.072 o 6 3 10 2.845 5.771 2.332 60.543 o 6 3 11 10.357 9.726 2.867 35.948 o 6 3 12 1.890 1.079 1.697 116.819 o 6 3 13 3.414 0.609 2.162 71.846 o 6 3 14 3.753 2.734 1.497 139.076 o 6 3 15 7.417 4.286 1.928 79.253 o 6 3 16 5.663 2.343 1.420 144.170 o 6 3 17 11.862 6.807 2.540 43.940 o 6 3 18 14.629 11.799 3.440 24.351 o 6 3 19 3.981 0.994 2.694 46.522 o 6 3 20 2.264 -1.113 1.788 105.834 o 6 3 21 1.178 0.128 1.987 87.080 o 6 3 22 3.796 0.047 2.268 65.401 o 6 4 0 5.512 7.117 3.407 28.423 o 6 4 1 6.044 8.688 2.825 39.728 o 6 4 2 2.226 2.048 1.812 101.608 o 6 4 3 11.099 17.817 4.014 18.842 o 6 4 4 8.944 12.545 3.444 26.116 o 6 4 5 9.856 17.883 4.090 18.465 o 6 4 6 0.724 -1.484 1.231 225.878 o 6 4 7 1.008 0.532 0.261 3157.710 o 6 4 8 0.975 0.874 2.439 57.937 o 6 4 9 2.773 5.719 2.466 54.508 o 6 4 10 0.050 -0.035 0.517 1294.200 o 6 4 11 0.615 -1.602 1.194 240.457 o 6 4 12 0.168 0.382 0.981 357.262 o 6 4 13 15.860 10.182 3.330 25.526 o 6 4 14 0.184 -1.605 1.158 258.188 o 6 4 15 3.295 2.517 1.584 127.486 o 6 4 16 0.730 -0.161 0.578 975.952 o 6 4 17 10.768 6.446 2.569 44.245 o 6 4 18 8.561 4.409 2.877 38.236 o 6 4 19 9.935 7.851 6.481 8.035 o 6 4 20 1.601 0.211 1.959 89.130 o 6 5 0 0.213 5.133 3.445 29.002 o 6 5 1 6.202 11.415 3.611 24.828 o 6 5 2 4.781 1.996 2.766 43.656 o 6 5 3 0.575 -1.889 1.498 153.693 o 6 5 4 16.037 28.089 5.514 9.857 o 6 5 5 1.505 2.611 1.682 118.091 o 6 5 6 19.030 35.315 6.204 7.640 o 6 5 7 3.233 6.681 2.973 37.713 o 6 5 8 6.237 7.920 3.094 33.686 o 6 5 9 2.942 3.627 2.034 79.558 o 6 5 10 11.191 7.090 3.472 25.890 o 6 5 11 4.905 2.559 1.607 118.980 o 6 5 12 0.078 -0.505 1.301 204.930 o 6 5 13 0.512 -0.560 2.211 70.851 o 6 5 14 1.705 1.788 1.351 180.295 o 6 5 15 1.922 0.041 0.945 360.986 o 6 5 16 1.465 0.095 0.765 545.453 o 6 5 17 1.189 -0.231 0.597 879.716 o 6 5 18 0.534 -3.117 2.973 39.228 o 6 6 0 1.935 2.544 2.148 73.201 o 6 6 1 3.296 7.487 3.178 33.056 o 6 6 2 0.147 8.865 3.597 26.400 o 6 6 3 4.230 4.306 2.373 58.038 o 6 6 4 8.771 16.173 5.093 12.560 o 6 6 5 0.489 0.910 1.251 217.761 o 6 6 6 4.199 7.452 3.246 31.491 o 6 6 7 0.638 0.233 1.558 141.753 o 6 6 8 3.143 1.859 1.850 96.300 o 6 6 9 1.631 0.587 2.011 84.441 o 6 6 10 6.287 4.098 2.475 52.158 o 6 6 11 2.640 -0.208 1.382 172.543 o 6 6 12 3.132 0.259 0.658 610.767 o 6 6 13 8.432 3.349 2.236 60.618 o 6 6 14 1.138 -0.952 0.946 372.724 o 6 6 15 2.091 -1.864 1.363 179.718 o 6 6 16 2.996 2.426 1.728 109.297 o 6 6 17 0.596 1.183 1.944 90.957 o 6 7 0 0.322 2.883 3.036 37.442 o 6 7 1 2.109 1.277 2.995 38.265 o 6 7 2 2.126 5.089 2.861 41.310 o 7 0 1 0.046 -0.767 1.136 269.182 o 7 0 2 2.629 2.982 1.245 199.802 o 7 0 3 0.427 0.101 0.741 617.735 o 7 0 4 2.034 2.605 1.588 130.420 o 7 0 5 4.635 5.776 2.399 55.908 o 7 0 6 6.940 6.819 2.513 49.118 o 7 0 7 1.264 2.180 1.916 92.388 o 7 0 8 2.382 3.871 2.026 80.726 o 7 0 9 8.640 10.044 3.214 30.131 o 7 0 10 8.131 5.257 2.624 45.148 o 7 0 11 15.841 10.951 5.198 11.731 o 7 0 12 6.033 6.422 2.725 43.105 o 7 0 13 2.778 3.012 2.149 72.103 o 7 0 14 0.214 -0.426 0.615 903.025 o 7 0 15 2.626 0.009 0.633 690.824 o 7 1 0 0.002 -0.110 1.614 133.415 o 7 1 1 7.728 9.996 2.103 63.264 o 7 1 2 0.599 -1.436 1.550 143.589 o 7 1 3 13.771 19.495 3.089 27.485 o 7 1 4 5.855 8.446 2.008 73.012 o 7 1 5 1.299 0.904 0.519 1049.520 o 7 1 6 1.450 1.279 0.594 810.192 o 7 1 7 3.497 4.779 1.470 140.359 o 7 1 8 10.017 12.207 2.516 43.841 o 7 1 9 3.868 1.895 2.737 44.968 o 7 1 10 6.167 6.214 2.584 47.526 o 7 1 11 2.974 0.094 0.774 480.932 o 7 1 12 1.697 -0.175 2.058 80.927 o 7 1 13 8.188 4.780 2.431 51.875 o 7 1 14 0.974 -0.259 0.838 473.508 o 7 1 15 1.717 -2.721 1.646 125.410 o 7 1 16 4.205 2.259 1.955 84.839 o 7 1 17 0.309 1.182 1.014 328.913 o 7 2 0 5.201 3.194 2.540 50.773 o 7 2 1 4.250 7.352 3.020 36.134 o 7 2 2 19.917 28.976 5.715 8.941 o 7 2 3 3.564 3.360 2.753 44.292 o 7 2 4 1.914 1.489 1.993 85.229 o 7 2 5 2.828 5.721 2.376 58.424 o 7 2 6 4.807 4.097 2.178 67.610 o 7 2 7 0.750 1.043 1.177 243.305 o 7 2 8 3.668 2.502 3.912 22.352 o 7 2 9 0.266 -0.355 1.213 234.952 o 7 2 10 4.688 5.618 2.690 45.186 o 7 2 11 0.736 0.228 2.810 43.853 o 7 2 12 2.680 2.767 2.106 75.202 o 7 2 13 0.367 -0.360 0.531 1187.480 o 7 2 14 0.329 0.326 0.907 414.615 o 7 2 15 1.004 0.300 2.118 76.790 o 7 3 0 5.285 6.452 4.164 19.421 o 7 3 1 0.300 -0.132 0.743 618.949 o 7 3 2 3.052 3.830 2.188 69.025 o 7 3 3 3.145 1.904 2.511 53.526 o 7 3 4 8.097 12.459 3.841 21.633 o 7 3 5 4.362 8.720 3.461 27.677 o 7 3 6 13.370 26.244 5.681 9.619 o 7 3 7 1.423 -1.169 1.559 140.257 o 7 3 8 5.398 6.468 2.906 38.559 o 7 3 9 4.891 4.658 2.713 44.598 o 7 3 10 7.024 9.724 3.717 23.527 o ; _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 2.338 _oxdiff_exptl_absorpt_empirical_full_min 0.542 loop_ _space_group_symop_id _space_group_symop_operation_xyz 1 x,y,z 2 x+1/2,-y+1/2,-z 3 -x,y+1/2,-z+1/2 4 -x+1/2,-y,z+1/2 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_refinement_flags_posn F1 F -0.9160(5) 0.0055(2) -0.58639(10) 0.0740(7) Uani 1.000000 . O2 O -0.5610(4) -0.2320(2) -0.58447(9) 0.0456(5) Uani 1.000000 . O1 O -0.9841(5) -0.4617(3) -0.49172(10) 0.0623(7) Uani 1.000000 . N1 N -0.8443(5) -0.5385(3) -0.56937(10) 0.0418(6) Uani 1.000000 . F3 F -0.7120(6) -0.0304(3) -0.65586(12) 0.0832(8) Uani 1.000000 . N2 N -0.4873(5) -0.5387(3) -0.61573(12) 0.0486(7) Uani 1.000000 . F2 F -1.0819(5) -0.0992(3) -0.65199(10) 0.0797(8) Uani 1.000000 . C8 C -0.7260(10) -0.6134(5) -0.71406(15) 0.0706(12) Uani 1.000000 . C6 C -0.6761(9) -0.3393(4) -0.69661(13) 0.0590(9) Uani 1.000000 . C2 C -0.9370(6) -0.4346(3) -0.53812(12) 0.0425(6) Uani 1.000000 . C5 C -0.8138(6) -0.3628(3) -0.64478(12) 0.0423(7) Uani 1.000000 . C12 C -0.7073(7) -0.6615(4) -0.54634(14) 0.0532(8) Uani 1.000000 . C9 C -0.8468(8) -0.6299(4) -0.66040(14) 0.0553(9) Uani 1.000000 . C11 C -0.4727(8) -0.6631(4) -0.57897(17) 0.0607(10) Uani 1.000000 . C1 C -0.8750(8) -0.0912(4) -0.62483(15) 0.0554(9) Uani 1.000000 . C4 C -0.8005(5) -0.2426(3) -0.60334(11) 0.0396(6) Uani 1.000000 . C10 C -0.7471(5) -0.5137(3) -0.62265(11) 0.0396(6) Uani 1.000000 . C3 C -0.9769(6) -0.2822(3) -0.55990(12) 0.0433(7) Uani 1.000000 . C7 C -0.7547(11) -0.4583(5) -0.73547(15) 0.0780(14) Uani 1.000000 . H5 H -0.979(10) -0.373(5) -0.6519(19) 0.080(14) Uiso 1.000000 . H2 H -0.546(7) -0.158(4) -0.5603(17) 0.052(10) Uiso 1.000000 . H2a H -0.436(8) -0.455(5) -0.5985(19) 0.072(13) Uiso 1.000000 . H9a H -1.0210(8) -0.6180(4) -0.66388(14) 0.0664(10) Uiso 1.000000 R H9b H -0.8153(8) -0.7275(4) -0.64664(14) 0.0664(10) Uiso 1.000000 R H8a H -0.5547(10) -0.6365(5) -0.71107(15) 0.0847(15) Uiso 1.000000 R H8b H -0.7982(10) -0.6829(5) -0.73828(15) 0.0847(15) Uiso 1.000000 R H7a H -0.6588(11) -0.4489(5) -0.76709(15) 0.0936(16) Uiso 1.000000 R H7b H -0.9234(11) -0.4425(5) -0.74474(15) 0.0936(16) Uiso 1.000000 R H6a H -0.7125(9) -0.2426(4) -0.71061(13) 0.0708(11) Uiso 1.000000 R H6b H -0.5025(9) -0.3455(4) -0.69061(13) 0.0708(11) Uiso 1.000000 R H11a H -0.4586(8) -0.7552(4) -0.59792(17) 0.0728(12) Uiso 1.000000 R H11b H -0.3322(8) -0.6526(4) -0.55645(17) 0.0728(12) Uiso 1.000000 R H12a H -0.6728(7) -0.6438(4) -0.50970(14) 0.0638(10) Uiso 1.000000 R H12b H -0.7952(7) -0.7535(4) -0.54978(14) 0.0638(10) Uiso 1.000000 R H3a H -1.1413(6) -0.2754(3) -0.57324(12) 0.0520(8) Uiso 1.000000 R H3b H -0.9605(6) -0.2112(3) -0.53184(12) 0.0520(8) Uiso 1.000000 R loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 F1 0.1062(19) 0.0397(10) 0.0760(15) 0.0135(12) -0.0081(14) -0.0112(11) O2 0.0415(11) 0.0445(11) 0.0507(12) -0.0024(10) -0.0055(9) -0.0117(10) O1 0.0892(18) 0.0558(14) 0.0420(12) 0.0001(15) 0.0241(12) -0.0035(11) N1 0.0518(13) 0.0374(12) 0.0363(12) -0.0042(11) 0.0067(10) -0.0028(10) F3 0.1072(19) 0.0533(13) 0.0890(18) -0.0112(14) 0.0145(15) 0.0209(13) N2 0.0436(13) 0.0451(14) 0.0572(17) 0.0043(12) 0.0065(11) -0.0002(12) F2 0.0922(19) 0.0685(14) 0.0785(16) 0.0164(14) -0.0354(14) 0.0095(14) C8 0.098(3) 0.069(2) 0.0439(18) -0.006(2) 0.014(2) -0.0210(18) C6 0.085(3) 0.0577(19) 0.0345(16) -0.007(2) 0.0109(16) 0.0010(14) C2 0.0464(14) 0.0421(14) 0.0390(15) -0.0044(13) 0.0064(12) -0.0059(12) C5 0.0501(16) 0.0406(14) 0.0360(14) -0.0017(13) 0.0012(12) -0.0021(12) C12 0.069(2) 0.0382(15) 0.0525(18) -0.0007(15) 0.0077(17) 0.0018(14) C9 0.070(2) 0.0458(16) 0.0500(18) -0.0074(17) 0.0012(16) -0.0170(15) C11 0.061(2) 0.0466(18) 0.074(3) 0.0117(17) 0.0054(19) 0.0051(17) C1 0.073(2) 0.0405(16) 0.0526(18) 0.0003(16) -0.0086(17) 0.0017(15) C4 0.0427(14) 0.0366(13) 0.0396(14) -0.0027(12) -0.0047(11) -0.0028(11) C10 0.0438(14) 0.0394(14) 0.0357(14) -0.0053(12) 0.0092(11) -0.0067(11) C3 0.0429(14) 0.0411(15) 0.0459(16) 0.0009(12) 0.0008(12) -0.0097(13) C7 0.113(4) 0.084(3) 0.0370(18) -0.001(3) 0.009(2) -0.0094(19) loop_ _atom_type_symbol _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_Cromer_Mann_a1 _atom_type_scat_Cromer_Mann_a2 _atom_type_scat_Cromer_Mann_a3 _atom_type_scat_Cromer_Mann_a4 _atom_type_scat_Cromer_Mann_b1 _atom_type_scat_Cromer_Mann_b2 _atom_type_scat_Cromer_Mann_b3 _atom_type_scat_Cromer_Mann_b4 _atom_type_scat_Cromer_Mann_c _atom_type_scat_source _atom_type_scat_dispersion_source H . . 0.49300 0.32291 0.14019 0.04081 10.51090 26.12570 3.14236 57.79970 0.0030380000826 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)' . C . . 2.31000 1.02000 1.58860 0.86500 20.84390 10.20750 0.56870 51.65120 0.215599998832 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)' . F . . 3.53920 2.64120 1.51700 1.02430 10.28250 4.29440 0.26150 26.14760 0.277599990368 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)' . O . . 3.04850 2.28680 1.54630 0.86700 13.27710 5.70110 0.32390 32.90890 0.250800013542 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)' . N . . 12.21260 3.13220 2.01250 1.16630 0.00570 9.89330 28.99750 0.58260 -11.5290002823 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)' . loop_ _diffrn_refln_index_h _diffrn_refln_index_k _diffrn_refln_index_l _diffrn_refln_intensity_net _diffrn_refln_intensity_u _diffrn_refln_scale_group_code 0 0 5 73.3258 46.5216 3 0 0 -5 123.807 40.9196 3 0 0 6 50968.3 753.5 3 0 0 -6 49277.1 763.707 3 0 0 -7 567.773 125.891 3 0 0 -8 -80.294 46.3392 3 0 0 -9 -12.2512 19.8406 3 0 0 -10 21704.1 683.809 3 0 0 -11 167.517 89.5578 3 0 0 -12 33878.4 927.729 3 0 0 -13 753.841 187.374 3 0 0 -14 68651.8 1457.25 3 0 0 -15 788.043 184.04 3 0 0 -16 8351.56 540.967 3 0 0 -17 101.948 72.2851 3 0 0 -18 280.161 103.725 3 0 0 -19 -73.7466 48.9162 3 0 0 -20 5134.44 482.693 3 0 0 -21 84.2465 43.9325 3 0 0 -22 1800.79 304.074 3 0 0 -23 23.0112 79.3629 3 0 0 -24 2591.99 393.033 3 0 0 -25 133.874 104.185 3 0 0 -26 10501.3 836.719 3 0 0 -27 363.354 170.567 3 0 0 -28 993.554 270.037 3 0 0 -29 26.8871 41.4647 3 0 0 -30 43.5629 14.3484 3 0 0 -31 26.8558 70.6245 3 0 0 -32 118.295 111.777 3 0 0 -33 8.36887 97.0504 3 0 -1 4 17773.1 473.395 3 0 -1 5 17255.9 467.438 3 0 -1 6 122857 1302.61 3 0 1 -6 120932 1348.27 3 0 -1 -6 118423 1270.43 3 0 -1 -7 5704.59 300.22 3 0 1 -7 4887.98 280.644 3 0 1 -8 38859.2 839.171 3 0 -1 -8 42415.7 880.799 3 0 -1 -9 569.655 109.562 3 0 1 -9 536.41 99.3938 3 0 -1 -10 33922.8 860.558 3 0 1 -10 32266.2 840.424 3 0 -1 -11 6479.59 401.415 3 0 1 -11 5873.19 420.527 3 0 1 -12 7245.5 447.762 3 0 -1 -12 7258.94 432.974 3 0 1 -13 8879.67 654.643 3 0 -1 -13 1315.63 188.297 3 0 -1 -14 82587.4 1573.74 3 0 1 -14 80603.1 1573.24 3 0 1 -15 11800.8 761.48 3 0 -1 -15 923.864 175.937 3 0 -1 -16 24693.5 943.923 3 0 1 -16 24205.6 931.901 3 0 -1 -17 4225.34 409.293 3 0 1 -17 6106.62 497.358 3 0 1 -18 5896.21 492.914 3 0 -1 -18 5610.5 491.916 3 0 -1 -19 193.374 103.273 3 0 1 -19 347.778 159.718 3 0 -1 -20 54.2627 83.0393 3 0 1 -20 138.527 125.485 3 0 -1 -21 8621.15 674.188 3 0 1 -21 8474.81 666.1 3 0 1 -22 2544.67 388.159 3 0 -1 -22 2386.14 377.086 3 0 1 -23 3524.79 467.239 3 0 -1 -23 3628.07 471.018 3 0 1 -24 8233.14 727.293 3 0 -1 -24 7811.96 697.928 3 0 1 -25 437.113 190.036 3 0 -1 -25 229.363 115.086 3 0 -1 -26 1279.96 304.627 3 0 1 -26 1379.86 317.341 3 0 -1 -27 160.123 117.584 3 0 1 -27 89.7452 73.6823 3 0 -1 -28 243.578 124.811 3 0 -1 -29 8.62686 30.4602 3 0 -1 -30 291.19 155.217 3 0 -1 -31 212.07 123.744 3 0 -1 -32 -138.791 138.584 3 0 -1 -33 14.4461 54.1589 3 0 -1 -34 40.8942 95.9257 3 0 2 0 217427 1512.45 2 0 -2 0 229077 1544.29 2 0 -2 1 137298 1226.55 2 0 2 -1 132526 1194.11 2 0 2 1 131005 1212.94 2 0 2 2 1782.94 142.102 2 0 2 -2 1763.05 139.591 2 0 -2 -2 1978.89 152.529 2 0 -2 2 1946.05 156.748 2 0 -2 3 133204 1309.47 2 0 2 3 129736 1285.95 2 0 2 4 7273.37 319.504 2 0 -2 -10 5425.97 366.33 3 0 -2 -11 11889.2 570.319 3 0 -2 -12 4629.27 369.004 3 0 -2 -13 125.334 62.1587 3 0 -2 -14 3169.88 332.504 3 0 -2 -15 15332.1 743.678 3 0 -2 -16 1452.34 237.594 3 0 -2 -17 5109.86 459.85 3 0 -2 18 2395.93 148.96 1 0 -2 -18 2319.76 309.471 3 0 -2 -18 1915.02 124.65 1 0 -2 -19 17787.9 893.942 3 0 -2 -20 6266.16 555.2 3 0 -2 -21 1287.31 266.508 3 0 -2 -22 589.22 181.494 3 0 -2 -23 5819.07 594.323 3 0 -2 -24 2326.67 389.738 3 0 -2 -25 2408.48 397.305 3 0 -2 -26 4731.83 578.743 3 0 -2 -27 858.04 252.864 3 0 -2 -28 237.283 140.865 3 0 -2 -29 541.932 201.44 3 0 -2 -30 2.51156 47.3118 3 0 -2 -31 753.289 257.713 3 0 -2 -32 369.568 191.122 3 0 -2 -33 920.597 296.62 3 0 -2 -34 285.47 180.147 3 0 3 0 6.04158 1.10451 2 0 3 1 3835.41 250.923 2 0 3 -1 3829.1 253.5 2 0 3 2 80756.7 1197.85 2 0 3 -2 77951.8 1153.77 2 0 3 3 4796.43 298.764 2 0 3 -3 4632.71 285.372 2 0 3 4 8689.73 398.642 2 0 3 -4 8184.38 399.264 2 0 3 5 99890.8 1428 2 0 3 6 57816.8 1152.43 2 0 3 7 280763 2647.86 2 0 -3 -13 2933.8 312.787 3 0 -3 -14 16367.3 779.058 3 0 -3 -15 444.531 140.179 3 0 -3 -16 27219.8 1071.23 3 0 -3 -17 890.282 205.833 3 0 -3 -18 22046.1 1008.92 3 0 -3 -19 349.147 117.747 3 0 -3 -20 62.3958 70.4462 3 0 -3 -21 10212.2 743.037 3 0 -3 -22 5277.34 539.623 3 0 -3 -23 40.0358 71.7044 3 0 -3 -24 1878.97 340.878 3 0 -3 -25 2597.82 415.147 3 0 -3 -26 1142.24 288.906 3 0 -3 -27 123.688 92.9389 3 0 -3 -28 1063.25 288.085 3 0 -3 -29 26.522 52.0628 3 0 -3 -30 222.659 139.1 3 0 -3 -31 -32.7234 81.265 3 0 -3 -32 -16.3512 69.9394 3 0 -3 -33 30.8044 50.1857 3 0 -3 -34 374.318 194.018 3 0 4 0 52563.8 1079.67 2 0 4 -1 29164.1 806.381 2 0 4 1 29512.7 815.651 2 0 4 2 91779.5 1441.85 2 0 4 -2 92383.8 1449.19 2 0 4 3 5541.62 364.045 2 0 4 -3 5148.7 333.676 2 0 4 4 14220.7 600.802 2 0 4 -4 13585 563.612 2 0 4 5 106859 1631.39 2 0 4 -5 104588 1618.17 2 0 4 6 151228 2025.06 2 0 4 7 3614.62 327.197 2 0 4 8 3900.69 351.599 2 0 4 9 1646.91 237.431 2 0 4 10 51366.8 1382.37 2 0 4 11 54.253 73.8952 2 0 4 12 35983.4 1366.51 2 0 -4 -15 427.777 118.584 3 0 -4 -16 2001.12 294.669 3 0 -4 -17 6448.98 557.008 3 0 -4 -18 -18.4005 24.6739 3 0 -4 -19 18778.3 995.808 3 0 -4 -20 3792.57 459.305 3 0 -4 -21 11906.4 819.998 3 0 -4 -22 93.0236 63.0866 3 0 -4 -23 42.0439 76.6674 3 0 -4 -24 43.0615 34.2411 3 0 -4 -25 355.824 152.338 3 0 -4 -26 38.7827 50.9864 3 0 -4 -27 -145.279 116.944 3 0 -4 -28 399.771 183.396 3 0 -4 -29 57.69 66.9217 3 0 -4 -30 6.38344 64.4373 3 0 -4 -31 133.575 116.223 3 0 -4 -32 21.521 49.5148 3 0 -4 -33 147.082 126.725 3 0 5 0 12.3619 41.0919 2 0 5 -1 55639.4 1284.01 2 0 5 1 55307.9 1262.62 2 0 5 -2 216.224 76.3927 2 0 5 2 161.802 71.2415 2 0 5 3 11631.2 586.153 2 0 5 -3 11127 561.171 2 0 5 -4 170.22 59.487 2 0 5 4 252.613 87.9091 2 0 5 -5 6185.39 429.697 2 0 5 5 6259.97 447.73 2 0 5 6 5088.71 416.228 2 0 5 7 122.914 53.1978 2 0 5 8 4443.71 395.272 2 0 5 9 1337.57 230.795 2 0 5 10 5779 490.617 2 0 5 11 783.656 184.966 2 0 5 12 4967.58 485.399 2 0 5 13 17273 937.138 2 0 5 14 36673.3 1404.83 2 0 5 15 14586.1 892.699 2 0 5 16 2971.93 423.004 2 0 5 17 533.871 190.041 2 0 -5 -17 561.523 154.321 3 0 5 18 15690.7 1091.96 2 0 -5 -18 11361 775.505 3 0 -5 -19 2411.74 366.959 3 0 -5 -20 965.71 238.496 3 0 -5 -21 1091.88 263.841 3 0 -5 -22 125.314 88.6484 3 0 -5 -23 2147.48 374.452 3 0 -5 -24 1605.44 324.676 3 0 -5 -25 1538.57 331.569 3 0 -5 -26 11.5631 15.1031 3 0 -5 -27 376.588 166.939 3 0 -5 -28 -72.7266 99.3441 3 0 -5 -29 -100.24 90.6497 3 0 -5 -30 452.035 209.299 3 0 -5 -31 68.7284 97.4305 3 0 -5 -32 -49.1706 68.5167 3 0 6 0 2908.69 318.245 2 0 6 1 738.591 160.296 2 0 6 -1 743.404 167.137 2 0 6 -2 421.8 120.408 2 0 6 2 341.407 103.837 2 0 6 -3 16410.6 753.096 2 0 6 3 17645.9 793.384 2 0 6 -4 63.7042 48.7249 2 0 6 4 93.3289 58.6273 2 0 6 5 8587.42 571.751 2 0 6 -5 8282.85 552.716 2 0 6 -6 228.446 91.2052 2 0 6 6 237.579 101.023 2 0 6 7 3867.56 394.173 2 0 6 8 3564.51 398.18 2 0 6 9 220.727 115.872 2 0 6 10 206.395 94.4392 2 0 6 11 662.935 180.475 2 0 6 12 302.914 124.498 2 0 6 13 611.48 175.977 2 0 6 14 1322.83 282.089 2 0 6 15 1215.95 279.868 2 0 6 16 922.686 234.361 2 0 6 17 6059.69 629.359 2 0 6 18 2010.58 379.504 2 0 -6 -18 1640.73 296.002 3 0 -6 -19 559.309 177.366 3 0 6 19 633.451 216.049 2 0 -6 -20 108.967 82.651 3 0 6 20 235.238 131.92 2 0 6 21 689.756 230.463 2 0 -6 -21 584.87 189.086 3 0 6 22 12.6972 54.397 2 0 -6 -22 11.297 25.6305 3 0 6 23 16.4134 50.0924 2 0 -6 -23 76.9851 69.6184 3 0 -6 -24 -18.3145 49.5805 3 0 6 24 316.535 180.949 2 0 6 25 629.524 226.298 2 0 -6 -25 550.128 199.565 3 0 6 26 1043.15 305.121 2 0 -6 -26 219.253 136.478 3 0 -6 -27 69.598 80.605 3 0 6 27 155.746 105.677 2 0 -6 -28 349.003 170.766 3 0 6 28 1727.31 400.654 2 0 6 29 2024.88 432.038 2 0 -6 -29 459.723 202.084 3 0 -6 -30 92.204 114.399 3 0 -6 -31 28.8926 92.8077 3 0 7 0 41.932 8.06651 2 0 7 1 15109.1 799.685 2 0 7 -1 14874.7 808.821 2 0 7 -2 7201.58 554.236 2 0 7 2 7247.71 554.566 2 0 7 3 634.108 161.451 2 0 7 -3 583.913 154.753 2 0 7 4 9502.91 646.454 2 0 7 -4 8766.63 624.36 2 0 7 5 64764.6 1692.97 2 0 7 -5 64797.8 1678.57 2 0 7 -6 4551 450.164 2 0 7 6 4362.83 444.984 2 0 7 7 4678.48 467.371 2 0 7 8 900.551 215.488 2 0 7 9 -22.4014 49.7418 2 0 7 10 995.182 230.224 2 0 7 11 -84.8409 89.5405 2 0 7 12 42.2734 62.2919 2 0 7 13 1177.97 271.842 2 0 7 14 290.709 122.076 2 0 7 15 905.441 242.897 2 0 7 16 872.456 247.331 2 0 7 17 28.61 82.1452 2 0 7 18 236.139 145.851 2 0 7 19 1114.66 298.864 2 0 -7 -19 849.196 224.527 3 0 -7 -20 -7.67993 39.4096 3 0 7 20 -22.9992 53.8156 2 0 -7 -21 325.621 140.768 3 0 7 21 693.225 239.134 2 0 7 22 64.0485 52.5125 2 0 -7 -22 11.9528 24.2941 3 0 7 23 10.6798 10.1642 2 0 -7 -23 -71.8692 89.5157 3 0 -7 -24 -19.0221 61.0547 3 0 7 24 180.616 125.779 2 0 7 25 8.19197 81.0462 2 0 -7 -25 8.74659 39.6094 3 0 7 26 614.768 238.012 2 0 -7 -26 104.165 95.9893 3 0 7 27 532.041 220.258 2 0 -7 -27 107.209 108.332 3 0 -7 -28 173.858 140.779 3 0 7 28 370.374 183.508 2 0 -7 -29 112.455 116.768 3 0 -7 -30 -28.1002 49.3521 3 0 8 0 8534.7 666.596 2 0 8 -1 255.355 121.421 2 0 8 1 129.532 97.823 2 0 8 -2 598.341 171.293 2 0 8 2 690.192 182.101 2 0 8 -3 7744.16 620.177 2 0 8 3 7884.12 625.223 2 0 8 4 14526.8 857.161 2 0 8 -4 14157.1 846.589 2 0 8 -5 4195.52 459.191 2 0 8 5 4133.32 466.647 2 0 8 -6 553.213 172.516 2 0 8 6 562.747 175.92 2 0 8 7 2725.84 383.669 2 0 8 8 31.2388 38.0353 2 0 8 9 212.108 109.657 2 0 8 10 1224.35 275.81 2 0 8 11 1760.87 339.079 2 0 8 12 2419.22 402.876 2 0 8 13 1206.35 288.544 2 0 8 14 1925.14 374.699 2 0 8 15 1622.99 356.937 2 0 8 16 3642.42 533.701 2 0 8 17 20.723 61.754 2 0 8 18 281.319 150.462 2 0 8 19 5792.65 701.647 2 0 8 20 60.6773 122.479 2 0 -8 -20 269.613 138.734 3 0 -8 -21 699.211 219.941 3 0 8 21 1887.07 411.891 2 0 -8 -22 62.3209 61.701 3 0 8 22 218.391 156.869 2 0 -8 -23 142.703 108.344 3 0 8 23 517.027 224.704 2 0 -8 -24 53.4274 63.5969 3 0 8 24 -34.1209 20.2961 2 0 -8 -25 13.7752 29.5409 3 0 8 25 121.576 135.921 2 0 -8 -26 40.4003 80.9432 3 0 -8 -27 26.0565 90.2506 3 0 -8 -28 9.32242 15.9831 3 0 9 0 14.853 40.2145 2 0 9 -1 946.619 223.331 2 0 9 1 859.311 221.077 2 0 9 2 8799.88 728.509 2 0 9 -2 8543.48 687.591 2 0 9 3 103.315 81.0684 2 0 9 -3 135.201 102.128 2 0 9 4 6623.14 622.561 2 0 9 -4 7146.43 644.82 2 0 9 -5 1894.98 332.847 2 0 9 5 1814.41 329.835 2 0 9 -6 78.9989 74.7077 2 0 9 6 79.7678 79.4219 2 0 9 7 313.814 150.97 2 0 9 8 1602.22 324.714 2 0 9 9 92.3612 42.9955 2 0 9 10 873.712 241.54 2 0 9 11 1139.22 282.999 2 0 9 12 181.933 100.912 2 0 9 13 3549.96 525.078 2 0 9 14 699.878 238.758 2 0 9 15 477.97 194.93 2 0 9 16 244.892 131.819 2 0 9 17 1248.16 343.985 2 0 9 18 988.402 304.641 2 0 9 19 -30.2919 63.2108 2 0 9 20 5627.17 757.354 2 0 9 21 3164.53 572.393 2 0 -9 -21 865.067 257.715 3 0 -9 -22 53.4428 73.18 3 0 9 22 -149.26 139.234 2 0 9 23 277.679 156.67 2 0 -9 -23 48.7288 62.7184 3 0 -9 -24 379.707 200.248 3 0 -9 -25 237.026 186.08 3 0 -9 -26 4.53207 34.6657 3 0 10 0 2897.95 430.291 2 0 10 1 1627.91 319.417 2 0 10 -1 1869.69 349.37 2 0 10 2 728.355 211.817 2 0 10 -2 752.005 226.935 2 0 10 3 331.25 157.911 2 0 10 -3 222.288 117.438 2 0 10 -4 374.762 148.752 2 0 10 4 392.215 157.708 2 0 10 5 776.487 231.78 2 0 10 -5 637.645 216.415 2 0 10 6 -24.3793 47.2726 2 0 10 7 -36.6724 73.2394 2 0 10 8 294.456 138.829 2 0 10 9 -59.9061 44.9159 2 0 10 10 -16.2408 38.1776 2 0 10 11 710.866 239.018 2 0 10 12 517.78 204.059 2 0 10 13 1167.68 325.604 2 0 10 14 -32.4358 81.4243 2 0 10 15 136.196 100.486 2 0 10 16 -49.0351 109.386 2 0 10 17 166.689 114.497 2 0 10 18 159.143 147.99 2 0 10 19 403.013 219.759 2 0 -10 -21 44.3695 97.2031 3 0 -10 -22 51.0094 96.1656 3 0 -10 -23 718.779 289.968 3 0 11 0 60.8956 65.6963 2 0 11 1 243.108 126.28 2 0 11 -1 67.7617 35.6429 2 0 11 -2 2830.15 459.309 2 0 11 2 2702.36 448.97 2 0 11 -3 537.505 194.135 2 0 11 3 617.006 211.147 2 0 11 4 97.4974 74.5165 2 0 11 -4 32.6323 59.0029 2 0 11 5 476.48 193.394 2 0 11 -5 455.871 188.806 2 0 11 6 105.133 77.3585 2 0 11 7 170.91 99.3136 2 0 11 8 213.292 127.794 2 0 11 9 2032.54 414.369 2 0 11 10 78.4323 99.8737 2 0 11 11 315.256 156.213 2 0 11 12 1888.72 419.506 2 0 11 13 1054.22 311.769 2 0 11 14 110.701 138.338 2 0 12 0 12.882 48.3693 2 0 12 -1 714.08 248.509 2 0 12 1 759.097 256.229 2 0 12 -2 88.8664 55.4918 2 0 12 2 103.66 82.3108 2 0 12 3 169.832 124.578 2 0 12 -3 137.521 119.452 2 0 12 -4 565.812 233.672 2 0 12 4 433.09 196.447 2 0 12 5 571.719 225.33 2 0 12 6 1024.85 296.119 2 -1 0 0 1.12531 11.6594 1 -1 0 1 20650 463.602 1 1 0 1 22083 495.594 1 -1 0 -1 20924.3 475.156 1 1 0 -2 972193 3194.83 1 1 0 2 978164 3134.53 1 -1 0 3 20060.2 456.987 1 1 0 3 21080.9 472.264 1 -1 0 -3 21961.3 493.806 1 1 0 -3 20389.6 482.903 1 1 0 4 605.02 76.1389 1 -1 0 4 681.715 81.0891 3 -1 0 4 553.653 75.0286 1 1 0 -4 587.836 80.8805 1 -1 0 -4 593.125 80.1717 1 -1 0 -4 530.226 77.5122 3 1 0 5 9823.45 311.633 1 -1 0 5 9541.9 302.888 1 -1 0 -5 10671.9 337.545 1 1 0 -5 9753.82 326.737 1 -1 0 5 9671.49 312.083 3 -1 0 -5 9875.81 373.943 3 -1 0 -6 8822.83 378.539 3 -1 0 6 9076.12 333.101 3 1 0 -6 8852.94 315.869 1 1 0 6 8827.58 294.162 1 -1 0 -6 9444.63 318.977 1 -1 0 6 8246.03 282.731 1 1 0 -7 38718 710.05 1 -1 0 7 36566.8 617.973 1 1 0 -7 36236.6 742.625 3 -1 0 -7 38216.4 665.758 1 1 0 7 38022.3 649.633 1 -1 0 7 38150.1 740.347 3 -1 0 -7 36209.3 810.013 3 1 0 -8 5543.78 297.188 3 -1 0 -8 4060.72 215.937 1 -1 0 8 5764.44 242.181 1 1 0 -8 5849.92 268.894 1 1 0 8 5859.83 246.793 1 -1 0 -8 5760.45 334.015 3 -1 0 9 44500.6 673.808 1 1 0 -9 41993.4 862.192 3 -1 0 -9 44733.8 1005.32 3 1 0 9 44217.5 662.879 1 -1 0 -10 6048.73 388.862 3 1 0 -10 5993.55 265.047 1 1 0 -10 5708.59 333.658 3 1 0 10 5378.8 216.408 1 -1 0 -11 91577.9 1537.73 3 1 0 -11 86931.9 1380.03 3 1 0 11 82811.6 832.566 1 1 0 -11 87481.1 972.422 1 1 0 -12 20834.2 726.163 3 -1 0 -12 20795.3 762.327 3 1 0 -12 20703.2 477.609 1 1 0 12 19591.4 402.971 1 1 0 -13 10767.7 548.15 3 -1 0 -13 11195.9 594.756 3 -1 0 -14 191.673 83.808 3 1 0 -14 412.171 162.884 3 1 0 -15 68.3286 58.5716 3 -1 0 -15 -4.42037 39.6886 3 1 0 -16 654.29 206.605 3 -1 0 -16 234.037 99.0148 3 1 0 -17 10177.7 619.092 3 -1 0 -17 10496 685.828 3 -1 0 -18 2116.41 312.168 3 1 0 -18 2369.47 319.924 3 1 0 -19 3036.55 364.216 3 -1 0 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359.757 2 -2 4 0 5130.42 371.986 2 2 4 1 5145.62 356.703 2 -2 4 -1 4942.68 360.691 2 -2 4 -2 9248.83 490.913 2 2 4 2 10125.7 505.056 2 2 4 3 2645.36 260.182 2 -2 4 -3 2526.98 263.367 2 2 4 4 18780.7 708.703 2 -2 4 -4 19729.5 768.608 2 2 4 5 443.673 112.651 2 2 4 6 2670.36 283.841 2 2 4 7 12286.9 604.496 2 2 4 8 6146.17 449.605 2 2 -4 -8 6249.64 312.545 3 2 4 9 7685.69 514.859 2 2 -4 -9 8226.37 384.573 3 2 -4 -10 6364.07 362.328 3 2 4 10 5820.94 455.25 2 2 4 11 3230.17 348.96 2 2 -4 -11 3394.08 274.312 3 2 -4 -12 227.819 77.4682 3 2 4 12 174.36 75.4098 2 2 -4 -13 477.79 117.003 3 2 4 13 420.867 135.424 2 2 4 14 5881.76 547.845 2 2 -4 -14 5190.89 389.535 3 2 -4 -15 4169.49 360.052 3 2 -4 -16 126.08 54.0997 3 2 -4 -17 111.748 41.1878 3 2 -4 -18 6776.54 535.397 3 2 -4 -19 2561.48 292.819 1 2 -4 -19 3235.76 379.769 3 2 -4 -20 1600.88 283.53 3 2 -4 -21 4371.01 485.367 3 2 -4 -22 901.701 221.075 3 2 -4 -23 3087.51 421.807 3 2 -4 -24 875.798 224.252 3 2 -4 -25 525.551 176.356 3 2 -4 -26 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3342.63 392.706 3 2 -5 -21 164.647 86.8266 3 2 5 21 256.376 150.445 2 2 5 22 1115.31 298.596 2 2 -5 -22 934.074 226.922 3 2 5 23 410.799 182.679 2 2 -5 -23 416.482 162.622 3 2 5 24 -28.6278 86.4835 2 2 -5 -24 -62.2173 111.548 3 2 -5 -25 134.766 107.071 3 -2 6 29 291.799 149.078 2 -2 -6 -28 632.71 241.079 3 -2 6 28 218.659 151.794 2 -2 -6 -27 629.449 236.617 3 -2 6 27 374.452 168.945 2 -2 -6 -26 2376.22 444.232 3 -2 6 26 1060.83 289.157 2 -2 -6 -25 905.524 264.662 3 -2 6 25 566.111 225.867 2 -2 -6 -24 518.747 194.38 3 -2 6 24 392.872 177.137 2 -2 -6 -23 -54.4543 71.1343 3 -2 6 23 13.1969 13.3004 2 -2 -6 -22 752.356 224.742 3 -2 6 22 824.499 268.36 2 -2 -6 -21 193.87 109.534 3 -2 6 21 225.945 116.544 2 -2 6 20 1136.05 307.7 2 -2 6 19 248.971 129.632 2 -2 6 18 666.142 243.85 2 -2 6 17 3681.79 553.669 2 -2 6 16 1280.13 319.683 2 -2 6 15 203.978 118.483 2 -2 6 14 424.021 170.706 2 -2 6 13 19542.9 1138.61 2 -2 6 12 3906.56 495.814 2 -2 6 11 11195.5 823.282 2 -2 6 10 9029.37 723.265 2 -2 6 9 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15 489.549 175.295 2 2 -7 -15 442.189 130.62 3 2 7 16 1563.23 320.861 2 2 7 17 666.953 209.674 2 2 7 18 67.5573 37.3279 2 2 7 19 1176.1 297.88 2 2 7 20 107.486 84.0664 2 2 7 21 1463.2 342.022 2 2 7 22 182.282 121.31 2 2 7 23 26.5208 33.8946 2 2 7 24 386.091 179.329 2 2 7 25 900.593 287.503 2 2 7 26 110.408 122.806 2 2 7 27 94.1404 91.2296 2 -2 8 25 48.6216 51.8764 2 -2 -8 -24 179 131.269 3 -2 8 24 197.181 152.97 2 -2 -8 -23 676.07 234.8 3 -2 8 23 431.886 209.415 2 -2 8 22 112.96 131.148 2 -2 8 21 405.867 208.568 2 -2 8 20 292.65 169.572 2 -2 8 19 1092.7 341.798 2 -2 8 18 406.703 183.456 2 -2 8 17 737.237 262.196 2 -2 8 16 1700.19 398.18 2 -2 8 15 434.578 202.597 2 -2 8 14 328.484 159.328 2 -2 8 13 643.554 226.933 2 -2 8 12 2714.16 462.118 2 -2 8 11 1685.82 363.479 2 -2 8 10 2369.23 420.819 2 -2 8 9 250.505 129.684 2 -2 8 8 2512.82 419.651 2 -2 8 7 563.327 187.435 2 -2 8 6 2253.89 374.621 2 -2 8 5 2208.27 367.956 2 2 8 -5 2618.72 393.135 2 -2 8 4 809.005 219.245 2 2 8 -4 1065.84 248.879 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57.9309 73.3606 3 -3 -4 -28 1007.37 297.107 3 -3 -4 -27 368.845 189.714 3 -3 -4 -26 211.643 110.039 3 -3 -4 -25 130.133 103.918 3 -3 -4 -24 350.139 164.19 3 -3 -4 -23 50.6516 86.9974 3 -3 -4 -22 256.656 127.93 3 -3 -4 -21 147.949 90.9513 3 -3 -4 -20 1662.94 322.238 3 -3 -4 -19 190.346 119.509 3 3 -4 19 288.863 115.735 1 -3 4 19 170.445 84.238 2 -3 4 18 3249.66 491.965 2 -3 -4 -18 2206.78 351.854 3 3 -4 18 2736.05 327.673 1 -3 4 17 4221.72 539.202 2 3 -4 17 3643.55 382.163 1 -3 4 16 10751.2 843.549 2 3 -4 16 8876.59 593.889 1 3 -4 15 1929.15 276.375 1 -3 4 15 2422.13 390.815 2 3 -4 14 3166.99 347.66 1 -3 4 14 4289.38 515.778 2 3 -4 13 2012.04 270.18 1 -3 4 13 2697.07 386.865 2 3 -4 12 4922.88 422.628 1 -3 4 12 6448.92 597.078 2 -3 4 11 10299.1 729.971 2 -3 4 10 15559.4 846.092 2 -3 4 9 7279.01 541.493 2 -3 4 8 8231.87 569.375 2 -3 4 7 3678.58 360.73 2 -3 4 6 5994.99 447.18 2 -3 4 5 8715.64 520.931 2 -3 4 4 5558.92 407.442 2 -3 4 3 2506.41 271.196 2 3 -4 3 1360.18 145.96 3 -3 4 2 9229.47 522.068 2 3 4 -2 9940.38 516.823 2 -3 4 1 3831.52 339.614 2 3 4 -1 3786.44 303.861 2 3 -4 1 3904.87 192.339 3 3 4 0 1531.35 189.247 2 -3 4 0 1380.55 197.031 2 3 -4 0 1419.72 84.4881 3 3 4 1 3787.54 305.714 2 -3 4 -1 3889.44 339.185 2 3 4 2 9150 474.531 2 -3 4 -2 9920.32 555.472 2 3 4 3 2618.81 257.49 2 3 4 4 5916.82 393.782 2 3 4 5 9211.48 505.702 2 3 4 6 6210.24 428.171 2 3 4 7 4301.84 365.578 2 3 4 8 8296.85 527.192 2 3 4 9 7132.37 486.61 2 3 -4 -9 7281.89 261.866 3 3 4 10 14655.8 730.059 2 3 -4 -10 15501.9 454.112 3 3 4 11 9164.1 596.674 2 3 -4 -11 9811.08 412.792 3 3 -4 -12 4554.1 447.661 1 3 4 12 5781.8 484.655 2 3 -4 -13 2105.35 310.098 1 3 4 13 2552.74 323.968 2 3 -4 -14 2825.42 354.088 1 3 4 14 3645.17 401.055 2 3 -4 -15 1528.22 257.52 1 3 4 15 1994.2 297.688 2 3 4 16 9029.52 658.354 2 3 -4 -16 7996.58 593.809 1 3 4 17 3764.82 441.516 2 3 -4 -17 3165.78 365.39 1 3 4 18 2984.23 421.321 2 3 -4 -18 2304.91 306.561 1 3 -4 -19 176.39 82.9291 1 3 4 19 207.084 124.838 2 -3 5 30 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4643.85 421.29 2 -3 5 3 1221.84 210.444 2 3 5 -3 1449.42 226.583 2 -3 5 2 3848.2 382.634 2 3 5 -2 4147.82 365.894 2 -3 5 1 185.998 85.1097 2 3 5 -1 255.391 92.0606 2 3 5 0 9246.71 530.581 2 -3 5 0 8837.64 566.592 2 3 5 1 233.481 87.0157 2 -3 5 -1 244.736 101.445 2 3 5 2 4294.25 372.383 2 -3 5 -2 4025.06 398.153 2 3 5 3 1544.63 222.751 2 -3 5 -3 1489.58 252.593 2 3 5 4 4993.16 409.405 2 3 -5 -4 5244.62 184.155 3 3 5 5 1083.07 191.898 2 3 5 6 1752.31 250.998 2 3 5 7 25.9457 38.8888 2 3 5 8 4351.82 419.366 2 3 5 9 987.991 204.277 2 3 5 10 240.038 106.898 2 3 5 11 876.345 193.138 2 3 5 12 8973.48 625.696 2 3 5 13 358.115 132.505 2 3 5 14 3186.35 402.893 2 3 5 15 330.937 127.987 2 3 -5 -16 655.616 176.683 1 3 5 16 912.08 226.259 2 3 5 17 259.826 109.293 2 3 -5 -17 282.788 119.67 1 3 5 18 1120.84 250.199 2 3 -5 -18 1065.8 231.083 1 3 -5 -19 1193.76 237.505 1 3 5 19 1188.42 263.607 2 3 5 20 124.793 77.2887 2 3 5 21 1143.78 265.956 2 3 5 22 236.28 122.076 2 3 5 23 774.405 221.039 2 3 5 24 730.398 224.673 2 3 5 25 154.839 107.381 2 3 5 26 1520.83 333.13 2 3 5 27 243.747 134.204 2 3 5 28 274.51 163.464 2 3 5 29 -28.986 58.1716 2 3 5 30 -115.271 101.187 2 -3 6 28 399.637 215.713 2 -3 6 27 -34.0654 99.7015 2 -3 -6 -26 1082.02 310.447 3 -3 6 26 474.643 210.632 2 -3 -6 -25 4.62315 55.6307 3 -3 6 25 -102.196 113.576 2 -3 -6 -24 572.244 211.554 3 -3 6 24 198.209 154.771 2 -3 -6 -23 210.219 122.712 3 -3 6 23 97.2873 85.2533 2 -3 -6 -22 1209.22 287.906 3 -3 6 22 660.125 238.517 2 -3 6 21 36.3085 22.4182 2 -3 -6 -21 21.5324 29.7274 3 -3 6 20 172.106 115.373 2 -3 6 19 705.178 246.375 2 3 -6 19 491.677 139.432 1 -3 6 18 1154.8 306.43 2 -3 6 17 283.526 147.404 2 -3 6 16 2875.79 469.936 2 -3 6 15 1455.9 312.995 2 -3 6 14 3886.07 535.581 2 -3 6 13 2550.9 427.949 2 -3 6 12 323.193 147.301 2 -3 6 11 3263.85 457.842 2 -3 6 10 1658.23 320.209 2 -3 6 9 111.879 76.1973 2 -3 6 8 970.444 230.047 2 -3 6 7 3650.46 428.743 2 -3 6 6 2567.94 354.14 2 -3 6 5 86.5169 68.0442 2 -3 6 4 935.79 204.489 2 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199.585 2 -3 7 25 62.6998 85.5016 2 -3 -7 -24 615.192 233.474 3 -3 7 24 284.306 175.106 2 -3 -7 -23 -62.1258 78.7435 3 -3 7 23 35.2529 63.0999 2 -3 -7 -22 8.7434 34.2053 3 -3 7 22 -93.821 112.62 2 -3 7 21 180.293 131.663 2 -3 7 20 85.458 98.2991 2 -3 7 19 20.7658 25.4902 2 -3 7 18 91.9759 141.292 2 -3 7 17 1022.85 298.681 2 -3 7 16 827.624 286.111 2 -3 7 15 1363.98 345.786 2 -3 7 14 191.941 116.284 2 -3 7 13 1549.32 336.857 2 -3 7 12 1233.9 303.318 2 -3 7 11 434.176 156.577 2 -3 7 10 312.049 141.133 2 -3 7 9 1352.28 293.849 2 -3 7 8 3519.37 465.277 2 -3 7 7 264.079 119.79 2 -3 7 6 2061.6 343.892 2 -3 7 5 2039.5 335.485 2 -3 7 4 1046.08 244.178 2 -3 7 3 875.689 228.351 2 3 7 -3 698.88 184.635 2 -3 7 2 12716.9 851.372 2 3 7 -2 11445.6 730.975 2 -3 7 1 2159.52 344.56 2 3 7 -1 2555.47 345.573 2 3 7 0 4447.49 447.614 2 -3 7 0 4628.68 500.823 2 3 7 1 2363.87 334.996 2 -3 7 -1 2579.14 387.261 2 3 7 2 12369.3 779.589 2 -3 7 -2 12687.3 865.596 2 3 7 3 737.304 182.573 2 -3 7 -3 914.789 236.803 2 3 7 4 1155.32 239.258 2 3 7 5 2359.05 347.902 2 3 7 6 2212.18 337.548 2 3 7 7 367.816 138.382 2 3 7 8 4176.76 471.001 2 3 7 9 1464.84 286.653 2 3 7 10 253.995 112.172 2 3 7 11 444.829 155.635 2 3 7 12 1148.2 265.101 2 3 7 13 1297.81 287.962 2 3 7 14 152.16 101.587 2 3 7 15 1449.27 306.931 2 3 7 16 821.937 242.566 2 3 7 17 968.916 259.831 2 3 7 18 102.514 92.6923 2 3 7 19 63.9787 68.3818 2 3 7 20 50.2042 66.4893 2 3 7 21 168.524 111.119 2 3 7 22 10.1114 11.0144 2 3 7 23 50.8499 67.4307 2 3 7 24 611.696 223.445 2 3 7 25 182.229 126.474 2 3 7 26 544.183 229.121 2 -3 8 24 -38.8646 65.6481 2 -3 8 23 264.685 175.909 2 -3 8 22 442.959 233.411 2 -3 8 21 147.512 156.281 2 -3 8 20 262.155 169.206 2 -3 8 19 660.268 276.242 2 -3 8 18 208.248 158.822 2 -3 8 17 483.835 231.841 2 -3 8 16 429.543 219.068 2 -3 8 15 37.1774 72.5128 2 -3 8 14 897.445 283.085 2 -3 8 13 555.197 214.012 2 -3 8 12 710.151 241.626 2 -3 8 11 758.642 241.43 2 -3 8 10 4877.55 614.697 2 -3 8 9 508.313 184.43 2 -3 8 8 1014.93 263.023 2 -3 8 7 225.36 111.058 2 -3 8 6 219.634 129.166 2 -3 8 5 1888.25 347.581 2 -3 8 4 947.874 238.189 2 -3 8 3 346.902 139.556 2 3 8 -3 225.703 115.063 2 -3 8 2 75.3974 69.0123 2 3 8 -2 176.199 97.9677 2 -3 8 1 2076.51 343.118 2 3 8 -1 2143.92 343.056 2 3 8 0 -18.93 7.33301 2 -3 8 0 67.291 67.1607 2 3 8 1 2123.93 340.438 2 -3 8 -1 2289.71 370.644 2 3 8 2 202.199 115.522 2 -3 8 -2 181.533 88.2288 2 3 8 3 312.027 138.311 2 -3 8 -3 363.095 150.252 2 3 8 4 900.755 233.351 2 3 8 5 2062.5 348.598 2 3 8 6 163.327 92.3262 2 3 8 7 270.514 131.814 2 3 8 8 1054.11 256.71 2 3 8 9 538.85 187.834 2 3 8 10 5120.23 570.658 2 3 8 11 681.979 212.087 2 3 8 12 547.75 186.528 2 3 8 13 533.729 191.277 2 3 8 14 855.82 243.56 2 3 8 15 134.087 96.1959 2 3 8 16 820.928 249.173 2 3 8 17 1031.49 280.561 2 3 8 18 366.212 176.445 2 3 8 19 779.856 252.34 2 3 8 20 409.554 186.635 2 3 8 21 237.302 145.544 2 3 8 22 625.152 237.023 2 3 8 23 516.53 219.194 2 3 8 24 45.0486 55.8773 2 -3 9 21 116.441 154.153 2 -3 9 20 665.845 311.616 2 -3 9 19 -23.9368 54.7971 2 -3 9 18 870.854 344.007 2 -3 9 17 132.869 155.211 2 -3 9 16 -4.6118 65.2893 2 -3 9 15 172.666 158.405 2 -3 9 14 179.022 153.835 2 -3 9 13 386.081 194.808 2 -3 9 12 39.9392 59.5424 2 -3 9 11 1.81452 50.614 2 -3 9 10 640.92 238.942 2 -3 9 9 190.081 124.879 2 -3 9 8 80.5362 86.6672 2 -3 9 7 795.943 247.322 2 -3 9 6 430.37 169.366 2 -3 9 5 2354.55 428.182 2 -3 9 4 125.643 100.595 2 -3 9 3 135.412 104.718 2 3 9 -3 35.0777 43.0109 2 -3 9 2 487.624 174.26 2 3 9 -2 266.511 125.218 2 -3 9 1 856.779 253.664 2 3 9 -1 955.376 243.238 2 3 9 0 510.177 176.995 2 -3 9 0 522.197 192.988 2 3 9 1 780.099 218.096 2 -3 9 -1 903.928 257.873 2 3 9 2 562.57 192.398 2 -3 9 -2 523.276 193.428 2 3 9 3 128.28 86.8479 2 -3 9 -3 59.8237 55.5676 2 3 9 4 159.816 103.611 2 3 9 5 2827.22 445.75 2 3 9 6 598.31 202.291 2 3 9 7 646.245 210.478 2 3 9 8 119.81 102.133 2 3 9 9 143.812 102.132 2 3 9 10 996.636 273.383 2 3 9 11 64.8531 77.9254 2 3 9 12 193.389 119.22 2 3 9 13 527.255 210.381 2 3 9 14 109.435 91.9345 2 3 9 15 144.772 106.124 2 3 9 16 97.6736 87.9008 2 3 9 17 280.061 151.321 2 3 9 18 854.126 267.094 2 3 9 19 -0.34911 48.6099 2 3 9 20 987.151 306.729 2 3 9 21 140.554 111.395 2 -3 10 17 117.305 151.362 2 -3 10 16 50.6841 133.164 2 -3 10 15 82.9306 109.243 2 -3 10 14 53.769 76.848 2 -3 10 13 61.7394 89.973 2 -3 10 12 257.489 182.426 2 -3 10 11 165.652 119.517 2 -3 10 10 65.9644 35.6319 2 -3 10 9 423.194 208.237 2 -3 10 8 113.697 105.86 2 -3 10 7 209.413 146.193 2 -3 10 6 10.6122 35.184 2 -3 10 5 31.9721 89.1981 2 -3 10 4 188.921 129.639 2 -3 10 3 748.137 245.219 2 3 10 -3 1672.18 364.351 2 -3 10 2 290.245 151.365 2 3 10 -2 540.293 200.117 2 -3 10 1 148.781 109.5 2 3 10 -1 269.271 132.527 2 3 10 0 351.524 161.57 2 -3 10 0 167.617 116.607 2 3 10 1 330.739 154.214 2 -3 10 -1 53.7826 5.44612 2 3 10 2 537.187 201.219 2 -3 10 -2 265.035 151.738 2 3 10 3 1286.73 307.92 2 3 10 4 299.123 157.185 2 3 10 5 77.3229 86.071 2 3 10 6 27.5705 29.3082 2 3 10 7 518.569 201.21 2 3 10 8 399.212 183.921 2 3 10 9 621.258 226.398 2 3 10 10 122.626 100.639 2 3 10 11 301.305 169.591 2 3 10 12 266.714 159.234 2 3 10 13 210.263 149.621 2 3 10 14 5.51707 40.9787 2 3 10 15 211.846 139.377 2 3 10 16 101.088 101.223 2 3 10 17 372.369 193.256 2 -3 11 12 15.103 43.2938 2 -3 11 11 701.167 315.393 2 -3 11 10 7.72549 49.7175 2 -3 11 9 154.061 132.592 2 -3 11 8 -105.089 109.562 2 -3 11 7 472.805 236.539 2 -3 11 6 72.6741 71.6443 2 -3 11 5 109.474 109.456 2 -3 11 4 262.601 168.882 2 -3 11 3 469.541 216.755 2 -3 11 2 297.123 182.091 2 3 11 -2 522.756 224.249 2 -3 11 1 36.1336 19.2342 2 3 11 -1 52.4519 19.7967 2 3 11 0 411.946 194.22 2 -3 11 0 167.452 158.18 2 3 11 1 148.911 117.737 2 -3 11 -1 39.8556 82.3802 2 3 11 2 403.784 191.604 2 -3 11 -2 238.035 162.099 2 3 11 3 855.346 274.331 2 3 11 4 179.341 115.489 2 3 11 5 194.551 133.659 2 3 11 6 -7.71823 63.1352 2 3 11 7 913.483 299.041 2 3 11 8 -78.3968 120.297 2 3 11 9 123.289 107.818 2 3 11 10 43.1899 87.7017 2 3 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547.75 186.528 2 3 8 13 533.729 191.277 2 3 8 14 855.82 243.56 2 3 8 15 134.087 96.1959 2 3 8 16 820.928 249.173 2 3 8 17 1031.49 280.561 2 3 8 18 366.212 176.445 2 3 8 19 779.856 252.34 2 3 8 20 409.554 186.635 2 3 8 21 237.302 145.544 2 3 8 22 625.152 237.023 2 3 8 23 516.53 219.194 2 3 8 24 45.0486 55.8773 2 -3 9 21 116.441 154.153 2 -3 9 20 665.845 311.616 2 -3 9 19 -23.9368 54.7971 2 -3 9 18 870.854 344.007 2 -3 9 17 132.869 155.211 2 -3 9 16 -4.6118 65.2893 2 -3 9 15 172.666 158.405 2 -3 9 14 179.022 153.835 2 -3 9 13 386.081 194.808 2 -3 9 12 39.9392 59.5424 2 -3 9 11 1.81452 50.614 2 -3 9 10 640.92 238.942 2 -3 9 9 190.081 124.879 2 -3 9 8 80.5362 86.6672 2 -3 9 7 795.943 247.322 2 -3 9 6 430.37 169.366 2 -3 9 5 2354.55 428.182 2 -3 9 4 125.643 100.595 2 -3 9 3 135.412 104.718 2 3 9 -3 35.0777 43.0109 2 -3 9 2 487.624 174.26 2 3 9 -2 266.511 125.218 2 -3 9 1 856.779 253.664 2 3 9 -1 955.376 243.238 2 3 9 0 510.177 176.995 2 -3 9 0 522.197 192.988 2 3 9 1 780.099 218.096 2 -3 9 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4472.85 495.785 1 5 -2 1 4871.45 529.389 1 5 2 0 4931.97 521.306 1 5 -2 0 5352.89 559.687 1 5 2 1 4525.6 494.977 1 5 -2 -1 4728.02 520.795 1 5 2 2 839.269 225.601 1 5 -2 -2 770.284 226.399 1 5 2 3 5133.25 523.586 1 5 -2 -3 5570.04 569.049 1 5 2 4 4198.13 478.158 1 5 -2 -4 4573.6 515.027 1 5 2 5 203.069 117.223 1 5 -2 -5 287.748 139.549 1 5 -2 -6 431.515 166.516 1 5 -2 -7 1228.45 261.594 1 5 -2 -8 1276.47 269.345 1 5 -2 -9 830.047 219.44 1 5 -2 -10 2968.38 420.643 1 5 -2 -11 164.138 89.806 1 5 -2 -12 151.805 94.0202 1 5 -2 -13 392.041 158.881 1 5 -2 -14 794.787 233.642 1 5 -2 -15 248.116 126.148 1 5 -2 -16 659.963 213.319 1 5 -2 -17 306.029 152.259 1 5 -2 -18 98.4354 55.5638 1 5 -2 -19 319.386 147.626 1 -5 2 -20 755.72 242.038 3 -5 2 -21 479.376 206.393 3 -5 2 -22 233.178 155.34 3 -5 2 -23 45.6998 80.0536 3 -5 2 -24 -26.1049 54.3321 3 -5 2 -25 209.737 192.372 3 -5 2 -26 24.8801 79.4529 3 -5 2 -27 -53.4389 79.1687 3 -5 -3 -25 309.351 221.908 3 -5 -3 -24 13.1899 30.6768 3 -5 -3 -23 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5916.82 393.782 2 3 4 5 9211.48 505.702 2 3 4 6 6210.24 428.171 2 3 4 7 4301.84 365.578 2 3 4 8 8296.85 527.192 2 3 4 9 7132.37 486.61 2 3 -4 -9 7281.89 261.866 3 3 4 10 14655.8 730.059 2 3 -4 -10 15501.9 454.112 3 3 4 11 9164.1 596.674 2 3 -4 -11 9811.08 412.792 3 3 -4 -12 4554.1 447.661 1 3 4 12 5781.8 484.655 2 3 -4 -13 2105.35 310.098 1 3 4 13 2552.74 323.968 2 3 -4 -14 2825.42 354.088 1 3 4 14 3645.17 401.055 2 3 -4 -15 1528.22 257.52 1 3 4 15 1994.2 297.688 2 3 4 16 9029.52 658.354 2 3 -4 -16 7996.58 593.809 1 3 4 17 3764.82 441.516 2 3 -4 -17 3165.78 365.39 1 3 4 18 2984.23 421.321 2 3 -4 -18 2304.91 306.561 1 3 -4 -19 176.39 82.9291 1 3 4 19 207.084 124.838 2 -3 5 30 87.7088 93.5358 2 -3 5 29 -126.677 105.819 2 -3 5 28 152.44 119.442 2 -3 -5 -27 328.864 168.434 3 -3 5 27 168.863 116.668 2 -3 -5 -26 2032.5 408.667 3 -3 5 26 523.376 205.863 2 -3 -5 -25 191.162 135.895 3 -3 5 25 84.6895 100.592 2 -3 -5 -24 923.343 264.174 3 -3 5 24 327.095 153.044 2 -3 -5 -23 913.334 252.872 3 -3 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1544.63 222.751 2 -3 5 -3 1489.58 252.593 2 3 5 4 4993.16 409.405 2 3 -5 -4 5244.62 184.155 3 3 5 5 1083.07 191.898 2 3 5 6 1752.31 250.998 2 3 5 7 25.9457 38.8888 2 3 5 8 4351.82 419.366 2 3 5 9 987.991 204.277 2 3 5 10 240.038 106.898 2 3 5 11 876.345 193.138 2 3 5 12 8973.48 625.696 2 3 5 13 358.115 132.505 2 3 5 14 3186.35 402.893 2 3 5 15 330.937 127.987 2 3 -5 -16 655.616 176.683 1 3 5 16 912.08 226.259 2 3 5 17 259.826 109.293 2 3 -5 -17 282.788 119.67 1 3 5 18 1120.84 250.199 2 3 -5 -18 1065.8 231.083 1 3 -5 -19 1193.76 237.505 1 3 5 19 1188.42 263.607 2 3 5 20 124.793 77.2887 2 3 5 21 1143.78 265.956 2 3 5 22 236.28 122.076 2 3 5 23 774.405 221.039 2 3 5 24 730.398 224.673 2 3 5 25 154.839 107.381 2 3 5 26 1520.83 333.13 2 3 5 27 243.747 134.204 2 3 5 28 274.51 163.464 2 3 5 29 -28.986 58.1716 2 3 5 30 -115.271 101.187 2 -3 6 28 399.637 215.713 2 -3 6 27 -34.0654 99.7015 2 -3 -6 -26 1082.02 310.447 3 -3 6 26 474.643 210.632 2 -3 -6 -25 4.62315 55.6307 3 -3 6 25 -102.196 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6 -3 203.861 96.7686 2 3 6 4 1073.69 209.479 2 3 6 5 17.5858 44.8952 2 3 6 6 3012.04 360.124 2 3 6 7 4413.69 444.657 2 3 6 8 1050.92 216.683 2 3 6 9 206.834 90.0074 2 3 6 10 1527.7 276.325 2 3 6 11 3003.91 389.562 2 3 6 12 277.437 113.086 2 3 6 13 2292.43 357.756 2 3 6 14 3510 440.173 2 3 6 15 1098.07 251.773 2 3 6 16 2285.31 367.322 2 3 6 17 265.972 121.046 2 3 6 18 968.783 251.183 2 3 -6 -19 378.897 146.544 1 3 6 19 641.332 202.245 2 3 6 20 150.759 102.271 2 3 6 21 166.525 114.424 2 3 6 22 1179.55 292.715 2 3 6 23 202.674 131.771 2 3 6 24 454.657 179.822 2 3 6 25 -37.1899 60.0405 2 3 6 26 842.06 260.667 2 3 6 27 -35.3531 30.8989 2 3 6 28 666.483 245.306 2 -3 7 26 371.456 199.585 2 -3 7 25 62.6998 85.5016 2 -3 -7 -24 615.192 233.474 3 -3 7 24 284.306 175.106 2 -3 -7 -23 -62.1258 78.7435 3 -3 7 23 35.2529 63.0999 2 -3 -7 -22 8.7434 34.2053 3 -3 7 22 -93.821 112.62 2 -3 7 21 180.293 131.663 2 -3 7 20 85.458 98.2991 2 -3 7 19 20.7658 25.4902 2 -3 7 18 91.9759 141.292 2 -3 7 17 1022.85 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2 3 7 17 968.916 259.831 2 3 7 18 102.514 92.6923 2 3 7 19 63.9787 68.3818 2 3 7 20 50.2042 66.4893 2 3 7 21 168.524 111.119 2 3 7 22 10.1114 11.0144 2 3 7 23 50.8499 67.4307 2 3 7 24 611.696 223.445 2 3 7 25 182.229 126.474 2 3 7 26 544.183 229.121 2 -3 8 24 -38.8646 65.6481 2 -3 8 23 264.685 175.909 2 -3 8 22 442.959 233.411 2 -3 8 21 147.512 156.281 2 -3 8 20 262.155 169.206 2 -3 8 19 660.268 276.242 2 -3 8 18 208.248 158.822 2 -3 8 17 483.835 231.841 2 -3 8 16 429.543 219.068 2 -3 8 15 37.1774 72.5128 2 -3 8 14 897.445 283.085 2 -3 8 13 555.197 214.012 2 -3 8 12 710.151 241.626 2 -3 8 11 758.642 241.43 2 -3 8 10 4877.55 614.697 2 -3 8 9 508.313 184.43 2 -3 8 8 1014.93 263.023 2 -3 8 7 225.36 111.058 2 -3 8 6 219.634 129.166 2 -3 8 5 1888.25 347.581 2 -3 8 4 947.874 238.189 2 -3 8 3 346.902 139.556 2 3 8 -3 225.703 115.063 2 -3 8 2 75.3974 69.0123 2 3 8 -2 176.199 97.9677 2 -3 8 1 2076.51 343.118 2 3 8 -1 2143.92 343.056 2 3 8 0 -18.93 7.33301 2 -3 8 0 67.291 67.1607 2 3 8 1 2123.93 340.438 2 -3 8 -1 2289.71 370.644 2 3 8 2 202.199 115.522 2 -3 8 -2 181.533 88.2288 2 3 8 3 312.027 138.311 2 -3 8 -3 363.095 150.252 2 3 8 4 900.755 233.351 2 3 8 5 2062.5 348.598 2 3 8 6 163.327 92.3262 2 3 8 7 270.514 131.814 2 3 8 8 1054.11 256.71 2 3 8 9 538.85 187.834 2 3 8 10 5120.23 570.658 2 3 8 11 681.979 212.087 2 3 8 12 547.75 186.528 2 3 8 13 533.729 191.277 2 3 8 14 855.82 243.56 2 3 8 15 134.087 96.1959 2 3 8 16 820.928 249.173 2 3 8 17 1031.49 280.561 2 3 8 18 366.212 176.445 2 3 8 19 779.856 252.34 2 3 8 20 409.554 186.635 2 3 8 21 237.302 145.544 2 3 8 22 625.152 237.023 2 3 8 23 516.53 219.194 2 3 8 24 45.0486 55.8773 2 -3 9 21 116.441 154.153 2 -3 9 20 665.845 311.616 2 -3 9 19 -23.9368 54.7971 2 -3 9 18 870.854 344.007 2 -3 9 17 132.869 155.211 2 -3 9 16 -4.6118 65.2893 2 -3 9 15 172.666 158.405 2 -3 9 14 179.022 153.835 2 -3 9 13 386.081 194.808 2 -3 9 12 39.9392 59.5424 2 -3 9 11 1.81452 50.614 2 -3 9 10 640.92 238.942 2 -3 9 9 190.081 124.879 2 -3 9 8 80.5362 86.6672 2 -3 9 7 795.943 247.322 2 -3 9 6 430.37 169.366 2 -3 9 5 2354.55 428.182 2 -3 9 4 125.643 100.595 2 -3 9 3 135.412 104.718 2 3 9 -3 35.0777 43.0109 2 -3 9 2 487.624 174.26 2 3 9 -2 266.511 125.218 2 -3 9 1 856.779 253.664 2 3 9 -1 955.376 243.238 2 3 9 0 510.177 176.995 2 -3 9 0 522.197 192.988 2 3 9 1 780.099 218.096 2 -3 9 -1 903.928 257.873 2 3 9 2 562.57 192.398 2 -3 9 -2 523.276 193.428 2 3 9 3 128.28 86.8479 2 -3 9 -3 59.8237 55.5676 2 3 9 4 159.816 103.611 2 3 9 5 2827.22 445.75 2 3 9 6 598.31 202.291 2 3 9 7 646.245 210.478 2 3 9 8 119.81 102.133 2 3 9 9 143.812 102.132 2 3 9 10 996.636 273.383 2 3 9 11 64.8531 77.9254 2 3 9 12 193.389 119.22 2 3 9 13 527.255 210.381 2 3 9 14 109.435 91.9345 2 3 9 15 144.772 106.124 2 3 9 16 97.6736 87.9008 2 3 9 17 280.061 151.321 2 3 9 18 854.126 267.094 2 3 9 19 -0.34911 48.6099 2 3 9 20 987.151 306.729 2 3 9 21 140.554 111.395 2 -3 10 17 117.305 151.362 2 -3 10 16 50.6841 133.164 2 -3 10 15 82.9306 109.243 2 -3 10 14 53.769 76.848 2 -3 10 13 61.7394 89.973 2 -3 10 12 257.489 182.426 2 -3 10 11 165.652 119.517 2 -3 10 10 65.9644 35.6319 2 -3 10 9 423.194 208.237 2 -3 10 8 113.697 105.86 2 -3 10 7 209.413 146.193 2 -3 10 6 10.6122 35.184 2 -3 10 5 31.9721 89.1981 2 -3 10 4 188.921 129.639 2 -3 10 3 748.137 245.219 2 3 10 -3 1672.18 364.351 2 -3 10 2 290.245 151.365 2 3 10 -2 540.293 200.117 2 -3 10 1 148.781 109.5 2 3 10 -1 269.271 132.527 2 3 10 0 351.524 161.57 2 -3 10 0 167.617 116.607 2 3 10 1 330.739 154.214 2 -3 10 -1 53.7826 5.44612 2 3 10 2 537.187 201.219 2 -3 10 -2 265.035 151.738 2 3 10 3 1286.73 307.92 2 3 10 4 299.123 157.185 2 3 10 5 77.3229 86.071 2 3 10 6 27.5705 29.3082 2 3 10 7 518.569 201.21 2 3 10 8 399.212 183.921 2 3 10 9 621.258 226.398 2 3 10 10 122.626 100.639 2 3 10 11 301.305 169.591 2 3 10 12 266.714 159.234 2 3 10 13 210.263 149.621 2 3 10 14 5.51707 40.9787 2 3 10 15 211.846 139.377 2 3 10 16 101.088 101.223 2 3 10 17 372.369 193.256 2 -3 11 12 15.103 43.2938 2 -3 11 11 701.167 315.393 2 -3 11 10 7.72549 49.7175 2 -3 11 9 154.061 132.592 2 -3 11 8 -105.089 109.562 2 -3 11 7 472.805 236.539 2 -3 11 6 72.6741 71.6443 2 -3 11 5 109.474 109.456 2 -3 11 4 262.601 168.882 2 -3 11 3 469.541 216.755 2 -3 11 2 297.123 182.091 2 3 11 -2 522.756 224.249 2 -3 11 1 36.1336 19.2342 2 3 11 -1 52.4519 19.7967 2 3 11 0 411.946 194.22 2 -3 11 0 167.452 158.18 2 3 11 1 148.911 117.737 2 -3 11 -1 39.8556 82.3802 2 3 11 2 403.784 191.604 2 -3 11 -2 238.035 162.099 2 3 11 3 855.346 274.331 2 3 11 4 179.341 115.489 2 3 11 5 194.551 133.659 2 3 11 6 -7.71823 63.1352 2 3 11 7 913.483 299.041 2 3 11 8 -78.3968 120.297 2 3 11 9 123.289 107.818 2 3 11 10 43.1899 87.7017 2 3 11 11 904.333 302.337 2 3 11 12 199.712 153.426 2 4 0 0 17164.9 888.658 1 4 0 1 1191.77 276.933 1 4 0 -1 1177.7 277.312 1 4 0 2 1076.38 253.921 1 4 0 -2 1301.42 279.001 1 4 0 3 9805.1 679.446 1 4 0 -3 9677.31 682.131 1 4 0 -4 994.946 266.784 1 4 0 4 879.808 226.269 1 4 0 5 7595.72 586.741 1 4 0 -5 7893.71 618.087 1 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50.8146 1 5 -5 16 308.766 140.302 1 5 -5 15 -49.0222 61.9526 1 5 -5 14 32.2474 48.1504 1 5 -5 13 176.793 98.069 1 5 -5 12 1174.1 262.395 1 5 -5 11 125.778 85.4944 1 5 -5 10 80.2825 66.0567 1 5 -5 9 404.822 152.64 1 5 -5 8 2207.06 364.113 1 5 -5 7 299.176 127.681 1 5 -5 6 1026.83 246.991 1 5 -5 5 1949.45 349.131 1 5 -5 4 -83.9225 106.539 1 5 -5 3 1899.37 350.598 1 5 -5 2 276.311 132.748 1 5 -5 1 792.689 232.4 1 5 -5 0 343.666 158.777 1 5 -5 -1 812.839 246.659 1 5 -5 -2 318.987 134.372 1 5 -5 -3 2123.08 404.218 1 5 -5 -4 8.06679 65.5503 1 5 -5 -5 2178.17 422.291 1 5 -5 -6 1073.02 290.949 1 5 -5 -7 520.017 191.901 1 5 -5 -8 3040.25 490.189 1 5 -5 -9 683.62 238.441 1 5 -5 -10 39.5797 16.523 1 5 -5 -11 171.628 115.751 1 5 -5 -12 1299.7 314.212 1 5 -5 -13 284.244 145.464 1 5 -5 -14 3.68805 32.1977 1 5 -5 -15 -24.8571 31.9869 1 5 -5 -16 488.864 207.194 1 5 -5 -17 -0.35423 30.2934 1 5 -5 -18 90.4257 95.3893 1 -5 -6 -19 30.5589 79.0299 3 5 -6 18 322.648 154.456 1 5 -6 17 16.033 59.9513 1 5 -6 16 406.205 165.789 1 5 -6 15 201.694 120.407 1 5 -6 14 98.3368 76.5615 1 5 -6 13 36.6235 41.0373 1 5 -6 12 -47.6539 66.706 1 5 -6 11 442.874 154.851 1 5 -6 10 383.91 152.855 1 5 -6 9 908.374 229.415 1 5 -6 8 69.4994 62.1852 1 5 -6 7 455.552 175.889 1 5 -6 6 1122.7 272.084 1 5 -6 5 1138.05 284.463 1 5 -6 4 753.884 228.967 1 5 -6 3 1884.3 388.423 1 5 -6 2 104.324 89.114 1 5 -6 1 560.1 224.263 1 5 -6 0 12.6642 55.4937 1 5 -6 -1 886.001 292.449 1 5 -6 -2 127.257 93.0027 1 5 -6 -3 2392.9 503.398 1 5 -6 -4 1049.78 320.006 1 5 -6 -5 1472.11 395.168 1 5 -6 -6 1518.08 405.843 1 5 -6 -7 643.776 263.134 1 5 -6 -8 229.114 158.21 1 5 -6 -9 1650.56 413.9 1 5 -6 -10 621.917 228.615 1 5 -6 -11 593.216 235.205 1 5 -6 -12 -49.469 64.3108 1 5 -6 -13 147.932 114.22 1 5 -6 -14 258.339 165.184 1 5 -6 -15 145.364 119.326 1 5 -6 -16 233.578 154.952 1 5 -6 -17 28.1309 91.6879 1 5 -6 -18 301.23 186.635 1 5 -7 17 205.929 124.603 1 5 -7 16 40.1221 49.3917 1 5 -7 15 32.9281 49.0131 1 5 -7 14 24.0058 33.7632 1 5 -7 13 98.3954 72.3523 1 5 -7 12 41.2523 55.8096 1 5 -7 11 39.8587 41.2266 1 5 -7 10 307.576 136.151 1 5 -7 9 121.325 92.0091 1 5 -7 8 244.975 127.999 1 5 -7 7 229.689 113.263 1 5 -7 6 255.746 133.381 1 5 -7 5 189.783 111.051 1 5 -7 4 116.386 98.1738 1 5 -7 3 -6.53947 80.4686 1 5 -7 2 58.4489 24.4275 1 5 -7 1 122.418 127.726 1 5 -7 0 1480.43 410.933 1 5 -7 -1 -39.7147 26.5173 1 5 -7 -2 42.8253 80.6029 1 5 -7 -3 204.449 163.237 1 5 -7 -4 -82.7548 108.277 1 5 -7 -5 97.9271 86.0754 1 5 -7 -6 796.078 350.097 1 5 -7 -7 559.007 285.306 1 5 -7 -8 490.868 280.219 1 5 -7 -9 -85.8756 131.598 1 5 -7 -10 1664.71 480.274 1 5 -7 -11 149.94 85.0135 1 5 -7 -12 -77.9889 148.254 1 5 -7 -13 -2.23569 36.2702 1 5 -7 -14 86.4227 104.009 1 5 -7 -15 89.878 122.645 1 5 -7 -16 31.8225 80.0123 1 5 -7 -17 120.226 133.193 1 5 -7 -18 11.0551 81.1092 1 5 -8 17 52.6193 70.7524 1 5 -8 16 45.8103 66.425 1 5 -8 15 -110.054 76.2103 1 5 -8 14 21.0299 51.0969 1 5 -8 13 206.916 119.725 1 5 -8 12 20.1075 34.4784 1 5 -8 11 236.149 121.293 1 5 -8 10 22.07 49.8854 1 5 -8 9 43.7808 31.8007 1 5 -8 8 821.248 231.242 1 5 -8 7 620.441 213.605 1 5 -8 6 209.886 132.825 1 5 -8 5 150.342 101.714 1 5 -8 4 181.514 128.642 1 5 -8 3 589.09 219.808 1 5 -8 2 335.95 173.994 1 5 -8 1 234.23 180.235 1 5 -8 0 298.975 182.071 1 5 -8 -1 280.346 187.983 1 5 -8 -2 536.529 291.58 1 5 -8 -3 1100.41 427.966 1 5 -8 -4 203.197 141.019 1 5 -8 -5 143.791 196.884 1 5 -8 -6 765.882 417.337 1 5 -8 -7 1320.29 557.612 1 5 -8 -8 1819.89 633.807 1 5 -8 -9 257.643 268.842 1 5 -8 -10 130.276 165.241 1 5 -8 -11 1027.83 460.721 1 5 -8 -12 132.231 123.699 1 5 -8 -13 0.14297 250.381 1 5 -8 -14 0.13224 45.2529 1 5 -8 -15 103.291 119.673 1 5 -8 -16 4.45304 25.7088 1 5 -8 -17 19.2212 85.9241 1 6 0 0 299.125 129.868 1 6 0 1 284.079 127.06 1 6 0 -1 310.769 130.617 1 6 0 2 -56.8587 80.116 1 6 0 -2 -90.7484 88.163 1 6 0 3 65.0454 65.4749 1 6 0 -3 156.911 93.8038 1 6 0 4 3.3214 38.4546 1 6 0 -4 27.8167 47.4725 1 6 0 5 266.85 133.471 1 6 0 -5 195.21 119.758 1 6 0 6 93.7218 73.1358 1 6 0 -6 -58.6377 71.6225 1 6 0 7 12.3155 18.8116 1 6 0 -7 95.6094 81.9204 1 6 0 8 130.963 86.6822 1 6 0 -8 76.7373 65.9686 1 6 0 9 -13.202 39.7931 1 6 0 -9 72.2637 74.7384 1 6 0 10 -41.7669 76.9406 1 6 0 -10 -4.53107 25.4924 1 6 0 11 25.4211 23.543 1 6 0 -11 96.3457 73.2695 1 6 0 12 51.3271 55.2203 1 6 0 -12 24.1352 35.4315 1 6 0 13 -16.1577 54.8288 1 6 0 -13 178.568 103.082 1 6 0 14 30.6522 31.5088 1 6 0 -14 257.15 137.161 1 6 0 15 13.132 23.8822 1 6 0 -15 12.1916 39.9192 1 6 0 16 244.216 125.335 1 6 0 -16 258.749 143.515 1 6 0 17 60.6864 75.1345 1 6 0 -17 48.0215 58.5484 1 6 0 18 222.64 132.522 1 6 0 -18 74.102 90.7753 1 6 -1 18 410.832 180.922 1 6 -1 17 167.562 115.069 1 6 -1 16 59.5167 61.7001 1 6 -1 15 60.7931 57.2812 1 6 -1 14 1.83526 40.3241 1 6 1 -13 198.043 129.922 1 6 -1 13 -57.5606 68.087 1 6 1 -12 869.693 251.35 1 6 -1 12 648.35 210.9 1 6 1 -11 63.8302 42.0045 1 6 -1 11 95.7102 79.043 1 6 1 -10 1572.06 329.332 1 6 -1 10 1546.2 318.918 1 6 1 -9 142.961 86.0122 1 6 -1 9 123.01 85.8268 1 6 1 -8 16.8547 39.3105 1 6 -1 8 62.2597 47.8593 1 6 1 -7 102.851 75.687 1 6 -1 7 51.9286 56.6408 1 6 1 -6 151.088 96.3239 1 6 -1 6 220.192 110.668 1 6 1 -5 330.294 151.541 1 6 -1 5 246.996 109.806 1 6 1 -4 -41.8191 69.5337 1 6 -1 4 65.5344 80.2813 1 6 1 -3 309.879 138.601 1 6 -1 3 445.841 177.89 1 6 1 -2 1202.2 275.183 1 6 -1 2 1274.15 299.503 1 6 1 -1 331.576 140.668 1 6 -1 1 457.1 185.438 1 6 1 0 491.617 184.4 1 6 -1 0 496.203 191.032 1 6 1 1 299.949 131.947 1 6 -1 -1 262.887 127.956 1 6 1 2 1014.63 248.749 1 6 -1 -2 1496.54 323.534 1 6 1 3 386.798 150.751 1 6 -1 -3 396.867 171.265 1 6 1 4 96.3724 66.7994 1 6 -1 -4 88.0473 79.655 1 6 1 5 169.761 93.5585 1 6 -1 -5 279.88 146.919 1 6 1 6 232.402 115.942 1 6 -1 -6 212.309 125.675 1 6 1 7 125.003 85.4023 1 6 -1 -7 17.369 17.602 1 6 1 8 53.3041 64.2686 1 6 -1 -8 -27.8376 54.4976 1 6 1 9 7.93609 30.5759 1 6 -1 -9 181.166 114.529 1 6 1 10 1442.45 305.654 1 6 -1 -10 1458.12 324.467 1 6 1 11 75.1373 68.2396 1 6 -1 -11 141.143 100.857 1 6 1 12 602.325 200.222 1 6 -1 -12 712.406 223.078 1 6 -1 -13 86.7509 91.1428 1 6 -1 -14 157.616 116.882 1 6 -1 -15 294.998 153.311 1 6 -1 -16 159.063 117.283 1 6 -1 -17 81.0052 78.5723 1 6 -1 -18 358.545 178.223 1 -6 -2 -23 549.814 256.052 3 -6 -2 -22 33.3282 65.3855 3 -6 -2 -21 49.455 118.078 3 -6 -2 -20 10.328 60.9234 3 -6 -2 -19 210.504 197.27 3 -6 -2 -18 53.4358 116.884 3 6 -2 18 35.1475 67.9025 1 -6 -2 -17 212.65 179.245 3 6 -2 17 109.898 99.7818 1 -6 -2 -16 73.7784 114.284 3 6 -2 16 98.4087 77.7175 1 6 -2 15 59.0822 56.5303 1 6 -2 14 197.528 125.141 1 6 -2 13 73.0937 71.4275 1 6 -2 12 228.07 133.658 1 6 -2 11 69.6092 83.7491 1 6 -2 10 210.243 122.083 1 6 -2 9 20.4566 48.8338 1 6 -2 8 678.311 217.771 1 6 -2 7 9.43266 17.3878 1 6 -2 6 38.5417 17.6974 1 6 -2 5 403.719 164.154 1 6 -2 4 -10.9466 38.9285 1 6 -2 3 294.587 122.848 1 6 -2 2 649.055 211.319 1 6 -2 1 49.5901 22.0921 1 6 -2 0 263.841 142.631 1 6 -2 -1 -37.7324 58.3504 1 6 -2 -2 553.761 192.899 1 6 -2 -3 307.883 134.342 1 6 -2 -4 -52.5797 84.5683 1 6 -2 -5 611.435 210.456 1 6 -2 -6 298.202 154.311 1 6 -2 -7 -60.3795 83.977 1 6 -2 -8 718.403 233.44 1 6 -2 -9 51.9214 57.1704 1 6 -2 -10 215.652 127.486 1 6 -2 -11 120.878 103.879 1 6 -2 -12 717.117 241.259 1 6 -2 -13 422.837 197.506 1 6 -2 -14 268.976 159.587 1 6 -2 -15 -7.13494 32.8967 1 6 -2 -16 -8.37997 25.2652 1 6 -2 -17 73.0533 100.608 1 6 -2 -18 11.7097 29.7623 1 -6 -3 -22 1.87409 89.6245 3 -6 -3 -21 5.06481 78.5342 3 -6 -3 -20 -43.9936 70.6751 3 -6 -3 -19 39.2916 106.459 3 -6 -3 -18 342.998 241.189 3 6 -3 18 569.917 237.708 1 -6 -3 -17 417.548 259.093 3 6 -3 17 311.219 171.915 1 -6 -3 -16 254.55 185.503 3 6 -3 16 100.844 99.7868 1 -6 -3 -15 308.34 197 3 6 -3 15 127.043 112.762 1 -6 -3 -14 194.471 147.435 3 6 -3 14 111.246 98.2966 1 -6 -3 -13 340.196 191.833 3 6 -3 13 48.0818 70.4142 1 6 -3 12 5.17977 20.6499 1 -6 -3 -12 198.842 148.95 3 6 -3 11 309.568 142.226 1 6 -3 10 226.826 123.435 1 6 -3 9 400.024 164.609 1 6 -3 8 477.472 176.075 1 6 -3 7 72.8406 69.0633 1 6 -3 6 -8.13512 65.696 1 6 -3 5 129.556 83.4205 1 6 -3 4 326.819 143.746 1 6 -3 3 213.535 116.193 1 6 -3 2 537.905 198.072 1 6 -3 1 506.879 190.432 1 6 -3 0 50.1377 80.2874 1 6 -3 -1 613.979 209.026 1 6 -3 -2 822.169 244.59 1 6 -3 -3 160.304 105.435 1 6 -3 -4 347.51 154.237 1 6 -3 -5 70.9668 70.5762 1 6 -3 -6 110.13 96.5838 1 6 -3 -7 92.2683 75.9392 1 6 -3 -8 357.138 160.529 1 6 -3 -9 426.566 174.393 1 6 -3 -10 229.496 138.472 1 6 -3 -11 482.944 187.434 1 6 -3 -12 133.586 118.903 1 6 -3 -13 1.77995 11.2004 1 6 -3 -14 54.9686 85.7125 1 6 -3 -15 129.31 121.379 1 6 -3 -16 24.7782 70.9235 1 6 -3 -17 153.738 140.757 1 6 -3 -18 483.458 228.107 1 -6 -4 -20 8.35083 77.4271 3 -6 -4 -19 310.289 256.146 3 -6 -4 -18 93.8812 140.122 3 6 -4 17 206.811 147.906 1 -6 -4 -17 210.451 200.528 3 6 -4 16 -11.0212 26.3611 1 -6 -4 -16 -60.713 79.5037 3 6 -4 15 122.048 107.324 1 -6 -4 -15 67.5573 106.512 3 6 -4 14 -56.1234 63.9955 1 -6 -4 -14 -68.5825 87.3423 3 6 -4 13 299.756 151.771 1 6 -4 12 75.0532 54.1335 1 6 -4 11 -33.0073 49.5359 1 6 -4 10 -30.0834 40.4043 1 6 -4 9 237.63 136.127 1 6 -4 8 0.62865 28.6688 1 6 -4 7 20.9097 36.7316 1 6 -4 6 -37.0011 59.7748 1 6 -4 5 707.891 221.248 1 6 -4 4 625.195 211.84 1 6 -4 3 582.622 201.362 1 6 -4 2 44.6047 42.6034 1 6 -4 1 352.02 157.368 1 6 -4 0 281.271 134.659 1 6 -4 -1 334.597 158.436 1 6 -4 -2 187.83 125.328 1 6 -4 -3 846.097 257.574 1 6 -4 -4 387.311 177.583 1 6 -4 -5 705.416 236.76 1 6 -4 -6 -88.9961 83.7815 1 6 -4 -7 21.0587 10.7369 1 6 -4 -8 193.416 134.341 1 6 -4 -9 214.141 139.533 1 6 -4 -10 10.7634 17.0974 1 6 -4 -11 -127.406 104.768 1 6 -4 -12 -2.47383 15.8569 1 6 -4 -13 562.941 237.468 1 6 -4 -14 -68.8417 98.8266 1 6 -4 -15 109.431 111.617 1 6 -4 -16 31.4717 43.9456 1 6 -4 -17 360.69 194.512 1 6 -4 -18 285.771 194.535 1 -6 -5 -18 -123.195 117.507 3 -6 -5 -17 45.1435 142.614 3 6 -5 17 -26.7665 45.4658 1 -6 -5 -16 3.82408 69.9216 3 6 -5 16 -19.8921 39.3117 1 6 -5 15 38.813 75.5117 1 6 -5 14 60.0518 71.4444 1 6 -5 13 -105.039 84.9884 1 6 -5 12 -84.9652 76.1421 1 6 -5 11 167.77 113.066 1 6 -5 10 185.896 111.978 1 6 -5 9 186.362 117.641 1 6 -5 8 265.958 156.321 1 6 -5 7 179.98 115.504 1 6 -5 6 1301.98 315.651 1 6 -5 5 151.049 121.686 1 6 -5 4 935.287 269.097 1 6 -5 3 -53.801 73.3503 1 6 -5 2 73.1612 10.1543 1 6 -5 1 353.308 181.375 1 6 -5 0 202.854 136.154 1 6 -5 -1 575.82 231.17 1 6 -5 -2 291.803 157.62 1 6 -5 -3 -103.107 100.229 1 6 -5 -4 1342.07 371.401 1 6 -5 -5 71.9883 79.3793 1 6 -5 -6 1517.86 389.328 1 6 -5 -7 414.994 207.449 1 6 -5 -8 372.077 196.261 1 6 -5 -9 103.047 110.076 1 6 -5 -10 460.286 213.912 1 6 -5 -11 55.9367 76.7301 1 6 -5 -12 17.8842 44.348 1 6 -5 -13 69.7181 94.1929 1 6 -5 -14 82.5694 80.3887 1 6 -5 -15 -19.5151 42.9558 1 6 -5 -16 42.3892 64.2805 1 6 -5 -17 -8.90401 28.1181 1 6 -6 17 158.602 108.347 1 6 -6 16 72.2753 80.7935 1 6 -6 15 -90.9316 78.6786 1 6 -6 14 -26.4045 42.6333 1 6 -6 13 206.089 127.198 1 6 -6 12 16.9016 31.7607 1 6 -6 11 37.3668 64.9362 1 6 -6 10 175.579 122.031 1 6 -6 9 -6.93252 32.7427 1 6 -6 8 43.6521 40.5114 1 6 -6 7 67.4536 74.8769 1 6 -6 6 301.223 165.387 1 6 -6 5 10.9582 53.6186 1 6 -6 4 487.489 207.829 1 6 -6 3 187.665 117.883 1 6 -6 2 274.097 173.916 1 6 -6 1 264.532 170.959 1 6 -6 0 100.552 84.8794 1 6 -6 -1 329.839 185.08 1 6 -6 -2 458.584 246.838 1 6 -6 -3 147.181 154.765 1 6 -6 -4 890.034 343.845 1 6 -6 -5 95.6524 127.923 1 6 -6 -6 286.208 203.26 1 6 -6 -7 -55.7022 83.4178 1 6 -6 -8 189.882 158.113 1 6 -6 -9 152.043 140.094 1 6 -6 -10 143.688 163.532 1 6 -6 -11 -71.8815 90.6399 1 6 -6 -12 0.75289 45.2082 1 6 -6 -13 61.1146 122.89 1 6 -6 -14 -58.1458 77.8503 1 6 -6 -15 -57.4281 73.858 1 6 -6 -16 133.155 127.723 1 6 -6 -17 4.91007 40.5275 1 6 -7 2 190.864 140.995 1 6 -7 1 -47.7885 98.6615 1 6 -7 0 113.922 119.981 1 6 -7 -1 188.948 139.025 1 6 -7 -2 214.916 189.267 1 7 0 0 216.787 138.071 1 7 0 1 -23.3214 56.3558 1 7 0 -1 -39.4934 74.186 1 7 0 2 162.806 106.371 1 7 0 -2 94.4115 55.5138 1 7 0 3 18.1972 13.6697 1 7 0 -3 -40.3322 42.7111 1 7 0 4 123.536 101.613 1 7 0 -4 86.7925 79.8337 1 7 0 5 244.359 136.185 1 7 0 -5 212.622 132.113 1 7 0 6 299.497 147.442 1 7 0 -6 242.131 134.353 1 7 0 7 188.931 125.851 1 7 0 -7 37.4799 59.6 1 7 0 8 131.126 110.179 1 7 0 -8 176.052 116.504 1 7 0 9 321.08 163.941 1 7 0 -9 489.895 200.843 1 7 0 10 129.759 106.76 1 7 0 -10 337.18 177.096 1 7 0 11 276.536 157.126 1 7 0 -11 687.348 255.991 1 7 0 12 288.534 161.561 1 7 0 -12 222.72 144.501 1 7 0 13 118.24 120.037 1 7 0 -13 119.81 120.22 1 7 0 14 -5.44937 20.5825 1 7 0 -14 -54.0882 67.4249 1 7 0 15 12.0907 17.4525 1 7 0 -15 -37.9142 56.9659 1 7 -1 17 21.9293 41.5586 1 7 -1 16 113.85 116.626 1 7 -1 15 -85.4476 81.793 1 7 -1 14 -3.44024 8.64214 1 7 -1 13 213.617 134.566 1 7 -1 12 -89.3245 81.694 1 7 -1 11 6.43986 38.3867 1 7 -1 10 250.037 143.28 1 7 -1 9 31.0949 39.3676 1 7 1 -8 547.869 219.87 1 7 -1 8 487.031 192.709 1 7 1 -7 316.328 172.15 1 7 -1 7 108.672 83.3452 1 7 1 -6 41.4345 67.943 1 7 -1 6 36.7591 34.6256 1 7 1 -5 61.3475 54.0767 1 7 -1 5 47.217 63.8829 1 7 1 -4 356.016 168.377 1 7 -1 4 291.398 141.117 1 7 1 -3 755.472 243.009 1 7 -1 3 774.82 240.798 1 7 1 -2 -215.972 127.224 1 7 -1 2 -8.50819 15.1041 1 7 1 -1 450.968 184.286 1 7 -1 1 475.371 192.692 1 7 1 0 -79.1307 76.5006 1 7 -1 0 48.4173 53.943 1 7 1 1 265.684 129.622 1 7 -1 -1 446.773 186.256 1 7 1 2 -183.369 116.083 1 7 -1 -2 -147.013 105.833 1 7 1 3 759.208 244.257 1 7 -1 -3 792.049 248.641 1 7 1 4 326.74 160.274 1 7 -1 -4 370.001 170.51 1 7 1 5 40.1684 52.7618 1 7 -1 -5 16.2156 26.4527 1 7 1 6 46.2823 39.1882 1 7 -1 -6 110.289 93.0243 1 7 1 7 235.192 136.943 1 7 -1 -7 174.412 123.715 1 7 1 8 493.977 202.118 1 7 -1 -8 412.11 185.467 1 7 -1 -9 247.433 155.015 1 7 -1 -10 241.022 145.532 1 7 -1 -11 0.07815 50.6544 1 7 -1 -12 73.3127 79.5231 1 7 -1 -13 163.663 137.238 1 7 -1 -14 -69.7069 75.8725 1 7 -1 -15 -136.523 107.359 1 7 -1 -16 67.5448 103.162 1 7 -1 -17 102.072 92.7877 1 7 -2 15 -51.0606 62.6172 1 7 -2 14 16.7096 52.0186 1 7 -2 13 -3.41765 22.3086 1 7 -2 12 161.203 136.452 1 7 -2 11 137.722 117.764 1 7 -2 10 247.337 155.83 1 7 -2 9 23.2732 71.6525 1 7 -2 8 348.235 173.562 1 7 -2 7 107.059 95.9506 1 7 -2 6 110.911 103.09 1 7 -2 5 243.393 149.446 1 7 -2 4 179.293 113.114 1 7 -2 3 284.876 160.444 1 7 -2 2 1182.29 320.976 1 7 -2 1 195.489 133.258 1 7 -2 0 126.242 100.381 1 7 -2 -1 434.175 201.294 1 7 -2 -2 1106.15 317.812 1 7 -2 -3 67.2868 69.1141 1 7 -2 -4 21.7601 34.81 1 7 -2 -5 212.098 120.736 1 7 -2 -6 239.247 156.34 1 7 -2 -7 14.0053 39.6622 1 7 -2 -8 39.054 41.6293 1 7 -2 -9 -47.5747 64.4895 1 7 -2 -10 198.402 145.36 1 7 -2 -11 -84.3807 85.4334 1 7 -2 -12 69.464 105.034 1 7 -2 -13 -44.1691 61.8403 1 7 -2 -14 9.22543 49.5072 1 7 -2 -15 116.365 104.04 1 7 -3 10 291.046 180.525 1 7 -3 9 145.244 136.208 1 7 -3 8 165.196 139.055 1 7 -3 7 -37.6128 92.0949 1 7 -3 6 973.921 300.981 1 7 -3 5 312.685 179.347 1 7 -3 4 409.832 187.519 1 7 -3 3 29.0338 46.6457 1 7 -3 2 168.057 140.166 1 7 -3 1 -57.6648 72.9394 1 7 -3 0 254.986 164.544 1 7 -3 -1 1.09757 8.79413 1 7 -3 -2 138.293 109.879 1 7 -3 -3 227.49 153.646 1 7 -3 -4 606.213 258.615 1 7 -3 -5 382.287 211.419 1 7 -3 -6 1106.97 337.14 1 7 -3 -7 -53.8959 82.8538 1 7 -3 -8 388.039 203.63 1 7 -3 -9 233.633 173.873 1 7 -3 -10 514.764 252.676 1 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 H2 O2 C4 111(2) . . ? C12 N1 C2 119.5(3) . . ? C10 N1 C2 125.4(2) . . ? C10 N1 C12 107.4(3) . . ? C10 N2 C11 104.5(3) . . ? H2a N2 C11 108(3) . . ? H2a N2 C10 103(3) . . ? C7 C8 C9 111.6(3) . . ? H8a C8 C9 109.3(3) . . ? H8a C8 C7 109.3(3) . . ? H8b C8 C9 109.3(2) . . ? H8b C8 C7 109.3(2) . . ? H8b C8 H8a 108.0 . . ? C7 C6 C5 108.7(3) . . ? H6a C6 C5 109.9(2) . . ? H6a C6 C7 109.9(2) . . ? H6b C6 C5 109.9(2) . . ? H6b C6 C7 109.9(3) . . ? H6b C6 H6a 108.3 . . ? N1 C2 O1 120.8(3) . . ? C3 C2 O1 120.3(3) . . ? C3 C2 N1 118.8(3) . . ? C4 C5 C6 118.4(3) . . ? C10 C5 C6 108.9(3) . . ? C10 C5 C4 111.9(2) . . ? H5 C5 C6 109(3) . . ? H5 C5 C4 105(3) . . ? H5 C5 C10 102(3) . . ? C11 C12 N1 102.8(3) . . ? H12a C12 N1 111.21(17) . . ? H12a C12 C11 111.2(2) . . ? H12b C12 N1 111.21(18) . . ? H12b C12 C11 111.2(2) . . ? H12b C12 H12a 109.1 . . ? C10 C9 C8 110.0(3) . . ? H9a C9 C8 109.7(3) . . ? H9a C9 C10 109.67(19) . . ? H9b C9 C8 109.7(2) . . ? H9b C9 C10 109.67(19) . . ? H9b C9 H9a 108.2 . . ? C12 C11 N2 107.0(3) . . ? H11a C11 N2 110.3(2) . . ? H11a C11 C12 110.3(2) . . ? H11b C11 N2 110.3(2) . . ? H11b C11 C12 110.3(2) . . ? H11b C11 H11a 108.6 . . ? F3 C1 F1 106.4(3) . . ? F2 C1 F1 105.9(3) . . ? F2 C1 F3 106.9(3) . . ? C4 C1 F1 111.7(3) . . ? C4 C1 F3 114.1(3) . . ? C4 C1 F2 111.4(3) . . ? C5 C4 O2 109.4(2) . . ? C1 C4 O2 108.1(3) . . ? C1 C4 C5 112.3(2) . . ? C3 C4 O2 111.4(2) . . ? C3 C4 C5 108.0(2) . . ? C3 C4 C1 107.6(3) . . ? N2 C10 N1 102.6(3) . . ? C5 C10 N1 113.0(2) . . ? C5 C10 N2 114.9(3) . . ? C9 C10 N1 110.2(2) . . ? C9 C10 N2 108.7(3) . . ? C9 C10 C5 107.3(3) . . ? C4 C3 C2 113.2(2) . . ? H3a C3 C2 108.93(16) . . ? H3a C3 C4 108.93(16) . . ? H3b C3 C2 108.93(15) . . ? H3b C3 C4 108.93(16) . . ? H3b C3 H3a 107.7 . . ? C6 C7 C8 113.0(3) . . ? H7a C7 C8 109.0(2) . . ? H7a C7 C6 109.0(2) . . ? H7b C7 C8 109.0(3) . . ? H7b C7 C6 109.0(3) . . ? H7b C7 H7a 107.8 . . ? 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 F1 C1 1.338(4) . ? O2 C4 1.409(3) . ? O2 H2 0.92(4) . ? O1 C2 1.240(4) . ? N1 C2 1.339(4) . ? N1 C12 1.471(4) . ? N1 C10 1.482(4) . ? F3 C1 1.320(5) . ? N2 C11 1.473(5) . ? N2 C10 1.460(4) . ? N2 H2a 0.92(5) . ? F2 C1 1.337(5) . ? C8 C9 1.533(5) . ? C8 C7 1.520(6) . ? C8 H8a 0.9700 . ? C8 H8b 0.9700 . ? C6 C5 1.543(5) . ? C6 C7 1.532(6) . ? C6 H6a 0.9700 . ? C6 H6b 0.9700 . ? C2 C3 1.509(4) . ? C5 C4 1.524(4) . ? C5 C10 1.529(4) . ? C5 H5 0.94(5) . ? C12 C11 1.539(5) . ? C12 H12a 0.9700 . ? C12 H12b 0.9700 . ? C9 C10 1.533(4) . ? C9 H9a 0.9700 . ? C9 H9b 0.9700 . ? C11 H11a 0.9700 . ? C11 H11b 0.9700 . ? C1 C4 1.538(5) . ? C4 C3 1.520(4) . ? C3 H3a 0.9700 . ? C3 H3b 0.9700 . ? C7 H7a 0.9700 . ? C7 H7b 0.9700 . ? 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 F1 C1 C4 O2 -73.3(3) . . . . ? F1 C1 C4 C5 165.9(3) . . . . ? F1 C1 C4 C3 47.2(3) . . . . ? O2 C4 C5 C6 -66.3(3) . . . . ? O2 C4 C5 C10 61.7(3) . . . . ? O2 C4 C1 F3 47.4(3) . . . . ? O2 C4 C1 F2 168.5(3) . . . . ? O2 C4 C3 C2 -66.3(3) . . . . ? O1 C2 N1 C12 -24.8(4) . . . . ? O1 C2 N1 C10 -170.3(3) . . . . ? O1 C2 C3 C4 149.3(3) . . . . ? N1 C2 C3 C4 -29.0(3) . . . . ? N1 C12 C11 N2 2.8(3) . . . . ? N1 C10 N2 C11 38.5(3) . . . . ? N1 C10 C5 C6 172.3(3) . . . . ? N1 C10 C5 C4 39.5(3) . . . . ? N1 C10 C9 C8 -174.3(3) . . . . ? F3 C1 C4 C5 -73.4(3) . . . . ? F3 C1 C4 C3 167.9(3) . . . . ? N2 C10 C5 C6 55.0(3) . . . . ? N2 C10 C5 C4 -77.8(3) . . . . ? N2 C10 C9 C8 -62.5(3) . . . . ? F2 C1 C4 C5 47.7(3) . . . . ? F2 C1 C4 C3 -71.1(3) . . . . ? C8 C9 C10 C5 62.3(4) . . . . ? C8 C7 C6 C5 -54.0(5) . . . . ? C6 C5 C4 C1 53.9(4) . . . . ? C6 C5 C4 C3 172.4(3) . . . . ? C6 C5 C10 C9 -66.1(3) . . . . ? C2 C3 C4 C5 53.9(3) . . . . ? C2 C3 C4 C1 175.3(3) . . . . ?