#------------------------------------------------------------------------------ #$Date: 2021-12-07 05:54:57 +0200 (Tue, 07 Dec 2021) $ #$Revision: 271226 $ #$URL: file:///home/coder/svn-repositories/cod/cif/7/15/83/7158394.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_7158394 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_formula_moiety 'C17 H19 F3 N2 O2, C2 H3 N' _chemical_formula_sum 'C19 H22 F3 N3 O2' _chemical_formula_weight 381.401 _space_group_crystal_system monoclinic _space_group_IT_number 14 _space_group_name_Hall '-P 2ybc' _space_group_name_H-M_alt 'P 1 21/c 1' _symmetry_Int_Tables_number 14 _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 104.837(9) _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 10.2653(9) _cell_length_b 9.7195(12) _cell_length_c 19.2671(17) _cell_measurement_reflns_used 1472 _cell_measurement_temperature 295(2) _cell_measurement_theta_max 23.8050 _cell_measurement_theta_min 3.9520 _cell_volume 1858.3(3) _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 0.9813 _diffrn_measured_fraction_theta_max 0.8399 _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 -91.00 1.00 1.00 15.00 -- -24.08 -77.00 150.00 92 2 \w -54.00 38.00 1.00 15.00 -- -24.08 77.00 -90.00 92 3 \w -93.00 -3.00 1.00 15.00 -- -24.08 -57.00 30.00 90 4 \w -50.00 -41.00 1.00 15.00 -- -24.08 77.00 0.00 9 ; _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 -0.0443416000 _diffrn_orient_matrix_UB_12 0.0469593000 _diffrn_orient_matrix_UB_13 0.0104572000 _diffrn_orient_matrix_UB_21 -0.0554809000 _diffrn_orient_matrix_UB_22 -0.0310337000 _diffrn_orient_matrix_UB_23 -0.0247439000 _diffrn_orient_matrix_UB_31 -0.0078195000 _diffrn_orient_matrix_UB_32 -0.0465594000 _diffrn_orient_matrix_UB_33 0.0269731000 _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 0.0537 _diffrn_reflns_av_unetI/netI 0.0843 _diffrn_reflns_Laue_measured_fraction_full 0.9813 _diffrn_reflns_Laue_measured_fraction_max 0.8399 _diffrn_reflns_limit_h_max 13 _diffrn_reflns_limit_h_min -10 _diffrn_reflns_limit_k_max 13 _diffrn_reflns_limit_k_min -9 _diffrn_reflns_limit_l_max 27 _diffrn_reflns_limit_l_min -22 _diffrn_reflns_number 11434 _diffrn_reflns_point_group_measured_fraction_full 0.9813 _diffrn_reflns_point_group_measured_fraction_max 0.8399 _diffrn_reflns_theta_full 26.0000 _diffrn_reflns_theta_max 31.04 _diffrn_reflns_theta_min 3.89 _diffrn_source 'fine-focus sealed X-ray tube' _diffrn_source_type 'Enhance (Mo) X-ray Source' _exptl_absorpt_coefficient_mu 0.110 _exptl_absorpt_correction_T_max 1.00000 _exptl_absorpt_correction_T_min 0.82513 _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 1.363 _exptl_crystal_description block _exptl_crystal_F_000 800.505 _exptl_crystal_size_max 0.44 _exptl_crystal_size_mid 0.32 _exptl_crystal_size_min 0.21 _refine_diff_density_max 0.3708 _refine_diff_density_min -0.4323 _refine_diff_density_rms 0.0984 _refine_ls_d_res_high 0.6892 _refine_ls_d_res_low 5.2320 _refine_ls_goodness_of_fit_ref 1.0099 _refine_ls_hydrogen_treatment mixed _refine_ls_matrix_type full _refine_ls_number_constraints 27 _refine_ls_number_parameters 265 _refine_ls_number_reflns 4978 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.0099 _refine_ls_R_factor_all 0.1534 _refine_ls_R_factor_gt 0.0635 _refine_ls_shift/su_max 0.0005 _refine_ls_shift/su_mean 0.0000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0850P)^2^] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1454 _refine_ls_wR_factor_ref 0.2223 _reflns_Friedel_coverage 0.0 _reflns_limit_h_max 13 _reflns_limit_h_min -13 _reflns_limit_k_max 13 _reflns_limit_k_min 0 _reflns_limit_l_max 27 _reflns_limit_l_min 0 _reflns_number_gt 2208 _reflns_number_total 4978 _reflns_threshold_expression I>=2u(I) _iucr_refine_instructions_details ; TITL CELL 0.71073 10.265281 9.719541 19.267133 90 104.8374 90 ZERR 4 0.000881 0.001185 0.001722 0 0.0094 0 LATT 1 SYMM -X,0.5+Y,0.5-Z SFAC C H F N O UNIT 76 88 12 12 8 L.S. 10 PLAN 20 SIZE 0.44 0.32 0.21 TEMP 22(2) CONF FMAP 2 MORE -1 ACTA 52 BOND $H HTAB OMIT -12 0 18 OMIT 9 6 5 OMIT 7 7 12 OMIT 10 6 8 OMIT -4 8 13 OMIT 8 9 5 WGHT 0.085 FVAR 7.030777 REM REM REM O1 5 0.77388 0.43013 0.41728 11.00000 0.06870 0.04771 0.04421 = 0.00404 0.00589 -0.00296 N1 4 0.98073 0.54578 0.33577 11.00000 0.04385 0.04992 0.04020 = 0.00344 0.00142 -0.00190 N2 4 0.84769 0.60059 0.22168 11.00000 0.04966 0.04747 0.04163 = 0.00503 0.00317 0.00107 O2 5 1.12362 0.60448 0.43985 11.00000 0.05898 0.09361 0.04950 = 0.00431 -0.00861 -0.02425 F1 3 0.61880 0.75948 0.40451 11.00000 0.10763 0.07388 0.09697 = 0.00007 0.03539 0.03381 F2 3 0.53971 0.55997 0.41457 11.00000 0.07676 0.11201 0.10328 = -0.01119 0.04355 -0.00344 F3 3 0.69236 0.64167 0.49990 11.00000 0.11818 0.11730 0.06133 = -0.01221 0.03349 0.02120 C8 1 0.84515 0.52399 0.28688 11.00000 0.04200 0.04154 0.03969 = 0.00222 0.00007 0.00120 C9 1 0.82561 0.36997 0.27289 11.00000 0.04790 0.03719 0.04818 = 0.00207 0.00799 0.00335 AFIX 23 H9a 2 0.89176 0.33768 0.24862 11.00000 -1.20000 H9b 2 0.84146 0.32216 0.31848 11.00000 -1.20000 AFIX 0 C2 1 1.07291 0.52217 0.23116 11.00000 0.05290 0.04379 0.05431 = -0.00190 0.01143 -0.00686 C12 1 0.59440 0.54204 0.27173 11.00000 0.04559 0.05816 0.05392 = -0.00119 0.00600 0.00980 AFIX 23 H12a 2 0.52632 0.57507 0.29449 11.00000 -1.20000 H12b 2 0.57743 0.58468 0.22474 11.00000 -1.20000 AFIX 0 C14 1 1.00716 0.59639 0.40208 11.00000 0.05665 0.04963 0.04348 = 0.00752 -0.00139 -0.01173 C7 1 0.95216 0.57308 0.18993 11.00000 0.05595 0.04048 0.04556 = -0.00119 0.00840 -0.00677 C13 1 0.73296 0.58831 0.31659 11.00000 0.05321 0.03886 0.04479 = -0.00076 0.00542 0.00542 C15 1 0.89328 0.64530 0.43070 11.00000 0.07148 0.05098 0.04451 = -0.00484 0.00494 -0.00315 AFIX 23 H15a 2 0.91682 0.63252 0.48235 11.00000 -1.20000 H15b 2 0.88024 0.74301 0.42119 11.00000 -1.20000 AFIX 0 C10 1 0.68578 0.33452 0.22767 11.00000 0.05588 0.04594 0.05858 = -0.00698 0.00345 -0.00390 AFIX 23 H10a 2 0.67252 0.37475 0.18030 11.00000 -1.20000 H10b 2 0.67736 0.23547 0.22215 11.00000 -1.20000 AFIX 0 C6 1 0.93934 0.60353 0.11793 11.00000 0.08070 0.05353 0.04939 = -0.00192 0.01272 -0.00556 AFIX 43 H6 2 0.85843 0.63796 0.08980 11.00000 -1.20000 AFIX 0 C11 1 0.57931 0.38754 0.26208 11.00000 0.04803 0.05552 0.06775 = -0.00540 0.00234 -0.00561 AFIX 23 H11a 2 0.58898 0.34370 0.30835 11.00000 -1.20000 H11b 2 0.49051 0.36587 0.23198 11.00000 -1.20000 AFIX 0 C1 1 1.09301 0.49463 0.30930 11.00000 0.04763 0.06709 0.05743 = 0.00634 0.00496 0.00253 C3 1 1.17759 0.49912 0.19896 11.00000 0.06520 0.04679 0.08185 = -0.00462 0.02479 -0.00247 AFIX 43 H3 2 1.25819 0.46227 0.22613 11.00000 -1.20000 AFIX 0 C16 1 0.76281 0.57097 0.39823 11.00000 0.05793 0.04705 0.04674 = -0.00124 0.01002 0.00050 C4 1 1.16474 0.52930 0.12854 11.00000 0.09819 0.06142 0.08329 = -0.01010 0.04668 -0.00273 AFIX 43 H4 2 1.23594 0.51375 0.10786 11.00000 -1.20000 AFIX 0 C5 1 1.04570 0.58285 0.08848 11.00000 0.10676 0.06810 0.05567 = -0.01070 0.03305 -0.01003 AFIX 43 H5 2 1.03708 0.60545 0.04061 11.00000 -1.20000 AFIX 0 C2s 1 0.48323 0.65132 0.05018 11.00000 0.08420 0.09151 0.06331 = 0.01925 0.02089 0.01752 N1s 4 0.57682 0.62223 0.09122 11.00000 0.09553 0.17288 0.09189 = 0.05149 -0.00208 0.01255 C3s 1 0.36396 0.68881 -0.00334 11.00000 0.08702 0.12607 0.08617 = 0.01892 0.01991 0.04098 AFIX 137 H3sa 2 0.35084 0.62631 -0.04312 11.00000 -1.50000 H3sb 2 0.28767 0.68453 0.01682 11.00000 -1.50000 H3sc 2 0.37337 0.78074 -0.01962 11.00000 -1.50000 AFIX 0 C17 1 0.65358 0.63199 0.42866 11.00000 0.08096 0.07007 0.05944 = -0.00380 0.02311 0.01063 H2 2 0.77060 0.60595 0.19276 11.00000 0.06510 H1 2 0.81037 0.42529 0.46817 11.00000 0.08610 H13 2 0.73650 0.68706 0.30964 11.00000 0.05682 H1a 2 1.17156 0.53935 0.33803 11.00000 0.07335 H1b 2 1.10771 0.38925 0.32005 11.00000 0.06418 HKLF 4 END Q5 1 0.875 0.333333 0.416667 11 0.05 0.33 Q3 1 0.625 0.75 0.513889 11 0.05 0.34 Q2 1 0.7 0.25 0.194444 11 0.05 0.37 Q1 1 0.8 0.388889 0.347222 11 0.05 0.37 Q4 1 1.05 0.333333 0.361111 11 0.05 0.34 REM The information below was added by Olex2. REM REM R1 = 0.0635 for 2208 Fo > 4sig(Fo) and 0.1534 for all 4978 data REM 265 parameters refined using 0 restraints REM Highest difference peak 0.3708, deepest hole -0.4323 REM Mean Shift 0.0000, Max Shift 0.0005. REM +++ Tabular Listing of Refinement Information +++ REM R1_all = 0.1534 REM R1_gt = 0.0635 REM wR_ref = 0.2223 REM GOOF = 1.0099 REM Shift_max = 0.0005 REM Shift_mean = 0.0000 REM Reflections_all = 4978 REM Reflections_gt = 2208 REM Parameters = 265 REM Hole = -0.4323 REM Peak = 0.3708 REM Flack = n/a ; _cod_data_source_file d1ob01843d2.cif _cod_data_source_block exp_769 _cod_depositor_comments 'Adding full bibliography for 7158386--7158394.cif.' _cod_database_code 7158394 _reflns_odcompleteness_completeness 96.66 _reflns_odcompleteness_iscentric 1 _reflns_odcompleteness_theta 28.22 _olex2_refinement_description ; 1. Fixed Uiso At 1.2 times of: All C(H) groups, All C(H,H) groups At 1.5 times of: All C(H,H,H) groups 2.a Secondary CH2 refined with riding coordinates: C9(H9a,H9b), C10(H10a,H10b), C11(H11a,H11b), C12(H12a,H12b), C15(H15a,H15b) 2.b Aromatic/amide H refined with riding coordinates: C6(H6), C5(H5), C4(H4), C3(H3) 2.c Idealised Me refined as rotating group: C3s(H3sa,H3sb,H3sc) ; _iucr_refine_fcf_details ; data_exp_769_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,y+1/2,-z+1/2 3 -x,-y,-z 4 x,-y-1/2,z-1/2 _space_group_crystal_system monoclinic _space_group_IT_number 14 _space_group_name_H-M_alt 'P 1 21/c 1' _space_group_name_Hall '-P 2ybc' _symmetry_space_group_name_H-M 'P 1 21/c 1' _symmetry_space_group_name_Hall '-P 2ybc' _symmetry_Int_Tables_number 14 _cell_length_a 10.2653(9) _cell_length_b 9.7195(12) _cell_length_c 19.2671(17) _cell_angle_alpha 90 _cell_angle_beta 104.837(9) _cell_angle_gamma 90 _cell_volume 1858.3(3) 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 -13 0 2 3.126 -8.621 8.621 44.271 o -13 0 4 4.369 10.864 10.581 29.319 o -13 0 6 1.173 -11.376 10.889 27.763 o -13 0 8 8.066 22.674 14.687 15.175 o -13 0 10 26.968 60.589 24.863 5.236 o -13 0 12 6.197 21.687 13.510 17.944 o -13 0 14 3.298 15.017 15.917 12.974 o -13 0 16 38.190 13.838 12.537 20.106 o -13 1 1 8.750 17.344 11.296 25.604 o -13 1 2 1.613 5.477 5.913 93.989 o -13 1 3 3.119 -3.488 5.612 104.410 o -13 1 4 0.296 -1.843 7.240 62.790 o -13 1 5 0.130 10.424 6.802 71.007 o -13 1 6 3.748 8.644 11.863 23.356 o -13 1 7 4.318 3.822 4.948 133.789 o -13 1 8 1.001 -0.224 11.845 23.462 o -13 1 9 9.844 4.844 11.430 25.104 o -13 1 10 1.065 -6.139 23.535 5.943 o -13 1 11 3.347 -6.341 5.823 96.979 o -13 1 12 0.046 1.690 6.635 74.764 o -13 1 13 0.319 1.501 17.577 10.654 o -13 1 14 1.255 -3.118 12.474 21.155 o -13 1 15 7.763 -5.277 7.629 56.367 o -13 1 16 0.708 6.018 18.341 9.784 o -13 2 1 0.698 -1.253 4.073 198.405 o -13 2 2 0.812 6.498 6.685 73.560 o -13 2 3 0.423 15.200 10.640 29.021 o -13 2 4 2.531 5.216 7.497 58.475 o -13 2 5 0.874 -1.785 14.221 16.277 o -13 2 6 4.934 19.083 11.730 23.806 o -13 2 7 11.006 30.882 12.538 20.643 o -13 2 8 0.092 -3.794 10.886 27.778 o -13 2 9 13.270 6.957 5.693 98.824 o -13 2 10 2.511 -35.219 14.960 14.708 o -13 2 11 1.742 5.697 6.743 72.287 o -13 2 12 1.239 9.367 10.713 28.653 o -13 2 13 3.295 15.226 9.225 38.505 o -13 2 14 3.778 -8.428 20.546 7.797 o -13 2 15 0.731 -24.831 16.038 12.798 o -13 3 1 0.017 3.625 5.610 104.570 o -13 3 2 0.001 13.130 7.105 65.025 o -13 3 3 0.342 -2.864 5.823 97.071 o -13 3 4 0.514 -7.892 20.108 8.141 o -13 3 5 0.459 19.464 9.012 40.367 o -13 3 6 2.024 -9.200 6.493 78.055 o -13 3 7 14.136 54.416 17.599 10.443 o -13 3 8 0.118 -0.084 24.509 5.480 o -13 3 9 3.892 -8.211 17.352 10.930 o -13 3 10 1.277 -9.850 18.406 9.716 o -13 3 11 1.981 -2.990 13.994 16.808 o -13 3 12 0.033 -4.133 5.067 128.217 o -13 3 13 1.171 51.338 25.298 5.125 o -13 4 1 0.104 1.319 3.481 271.687 o -13 4 2 2.661 -11.602 16.174 12.582 o -13 4 3 1.577 13.758 9.617 35.501 o -13 4 4 1.061 0.268 4.517 161.303 o -13 4 5 0.098 15.028 12.100 22.455 o -13 4 6 5.489 9.937 7.454 58.868 o -13 4 7 12.112 20.100 11.918 22.919 o -13 4 8 0.277 -9.316 22.453 6.529 o -13 4 9 0.428 -11.274 9.099 39.757 o -12 0 2 74.673 121.751 31.039 3.219 o -12 0 4 0.003 23.912 14.029 16.687 o -12 0 6 0.349 -28.118 17.637 10.582 o -12 0 8 40.708 43.868 19.568 8.323 o -12 0 10 3.476 21.023 16.484 12.087 o -12 0 12 28.638 49.761 21.815 6.786 o -12 0 14 0.877 -0.013 9.700 34.981 o -12 0 16 2.480 13.277 15.606 13.500 o -12 0 20 0.089 18.572 13.653 17.632 o -12 1 1 8.289 6.285 6.576 75.386 o -12 1 2 1.223 7.110 4.666 150.688 o -12 1 3 5.048 12.476 7.306 61.206 o -12 1 4 0.111 4.318 4.528 160.405 o -12 1 5 3.359 6.876 6.514 77.317 o -12 1 6 2.939 11.953 7.552 57.465 o -12 1 7 3.967 9.929 6.439 78.908 o -12 1 8 22.946 55.591 14.525 15.015 o -12 1 9 31.124 40.079 16.180 12.183 o -12 1 10 0.905 -2.708 8.548 45.045 o -12 1 11 22.334 48.732 13.760 16.765 o -12 1 12 2.091 5.665 11.492 24.909 o -12 1 13 0.075 -2.102 3.992 206.542 o -12 1 14 1.408 -2.039 6.755 72.118 o -12 1 15 12.625 0.022 6.975 66.947 o -12 1 16 0.009 -1.207 6.809 71.005 o -12 1 17 1.364 4.575 7.029 66.570 o -12 1 18 0.351 -11.663 21.488 7.129 o -12 1 19 3.518 3.430 6.872 69.575 o -12 1 20 0.714 0.113 21.372 7.207 o -12 1 21 0.619 -5.423 7.272 62.237 o -12 2 1 5.460 2.451 4.661 150.509 o -12 2 2 23.097 14.451 7.639 53.696 o -12 2 3 11.608 6.580 5.651 100.817 o -12 2 4 2.984 21.868 10.668 28.765 o -12 2 5 7.375 -1.298 3.706 236.606 o -12 2 6 1.909 1.092 10.829 28.064 o -12 2 7 2.444 5.055 5.744 99.527 o -12 2 8 53.213 81.267 17.977 9.366 o -12 2 9 17.748 32.992 11.907 22.616 o -12 2 10 1.552 -1.085 14.861 14.905 o -12 2 11 1.520 11.394 12.192 22.121 o -12 2 12 0.098 19.950 10.145 31.879 o -12 2 13 0.750 -10.879 7.364 60.700 o -12 2 14 1.894 -4.731 5.296 117.308 o -12 2 15 5.812 -3.723 5.898 94.347 o -12 2 16 0.022 0.003 3.269 307.983 o -12 2 17 1.423 -0.627 3.475 272.402 o -12 2 18 1.313 -0.200 8.746 43.033 o -12 2 19 3.773 -0.014 3.469 272.477 o -12 2 20 0.940 -0.001 4.345 174.325 o -12 2 21 7.002 1.576 4.413 167.369 o -12 3 1 1.713 6.179 7.107 65.082 o -12 3 2 1.219 4.745 5.000 131.462 o -12 3 3 0.228 -11.652 6.472 78.596 o -12 3 4 3.002 8.240 6.791 71.129 o -12 3 5 0.127 3.545 11.343 25.582 o -12 3 6 16.591 6.839 13.307 18.456 o -12 3 7 1.405 6.161 4.821 141.258 o -12 3 8 16.358 24.180 7.867 51.049 o -12 3 9 2.556 9.292 7.313 61.352 o -12 3 10 0.284 2.975 9.635 35.453 o -12 3 11 1.115 -0.530 6.033 90.435 o -12 3 12 1.330 12.857 8.345 47.135 o -12 3 13 0.064 5.042 7.706 55.416 o -12 3 14 0.033 8.151 12.666 20.510 o -12 3 15 0.132 -2.332 6.439 79.393 o -12 3 16 1.234 -0.127 21.649 7.023 o -12 3 17 2.829 7.787 7.703 55.338 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11.331 17.706 o 8 3 9 29.898 26.274 6.459 69.067 o 8 3 10 0.077 1.577 4.417 168.691 o 8 3 11 0.397 4.974 3.484 270.575 o 8 3 12 0.053 -6.666 5.087 127.221 o 8 3 13 5.539 2.672 5.403 112.188 o 8 3 14 4.714 -4.226 14.620 15.395 o 8 3 15 7.590 7.319 7.054 65.624 o 8 3 16 29.826 10.528 9.200 37.158 o 8 4 0 0.013 -1.035 2.043 788.959 o 8 4 1 0.477 0.674 1.831 980.714 o 8 4 2 157.556 159.235 14.246 8.581 o 8 4 3 0.573 2.611 3.565 258.729 o 8 4 4 9.634 4.739 2.552 471.942 o 8 4 5 0.317 2.062 2.107 740.369 o 8 4 6 8.423 4.093 2.672 439.430 o 8 4 7 1.533 1.239 2.273 635.261 o 8 4 8 148.718 167.489 18.870 6.215 o 8 4 9 9.967 6.729 7.820 53.326 o 8 4 10 6.016 -3.091 4.348 173.067 o 8 4 11 0.003 -5.093 8.579 44.721 o 8 4 12 0.307 -2.382 3.336 295.731 o 8 4 13 36.956 10.842 7.163 57.670 o 8 4 14 0.224 2.841 10.507 29.814 o 8 4 15 2.182 1.507 3.306 300.490 o 8 5 0 96.327 112.727 14.484 11.564 o 8 5 1 105.202 108.090 10.508 17.158 o 8 5 2 37.391 43.331 7.106 53.350 o 8 5 3 69.575 74.297 13.260 15.497 o 8 5 4 0.235 3.766 3.593 254.682 o 8 5 5 68.778 85.892 12.847 16.047 o 8 5 6 0.493 3.089 3.993 206.275 o 8 5 7 3.129 1.223 2.960 373.865 o 8 5 8 12.315 5.185 4.496 157.298 o 8 5 9 53.298 33.231 9.200 32.808 o 8 5 10 0.079 -1.010 5.579 105.745 o 8 5 11 50.597 40.703 16.626 11.250 o 8 5 12 11.027 5.702 7.459 58.519 o 8 5 13 8.998 -10.423 6.943 67.909 o 8 5 14 11.049 8.247 9.093 39.458 o 8 5 15 10.062 3.411 6.240 83.571 o 8 6 0 98.018 107.633 14.337 11.774 o 8 6 1 0.836 -2.773 3.139 333.953 o 8 6 2 5.072 6.474 3.988 204.103 o 8 6 3 14.033 15.535 6.187 82.697 o 8 6 4 5.478 8.298 4.065 195.689 o 8 6 5 16.734 16.443 5.095 117.727 o 8 6 6 0.492 4.186 4.951 134.184 o 8 6 7 13.471 14.833 6.326 79.466 o 8 6 8 30.771 16.958 8.843 39.590 o 8 6 9 17.333 0.049 13.732 17.367 o 8 6 10 12.705 0.113 5.348 113.005 o 8 6 11 6.972 2.638 4.341 172.679 o 8 6 12 4.376 -8.241 16.288 12.405 o 8 6 13 47.699 22.506 10.180 28.677 o 8 6 14 0.129 -16.074 13.360 18.442 o 8 7 0 26.613 27.249 7.493 53.657 o 8 7 1 17.643 19.553 6.799 67.669 o 8 7 2 91.403 99.647 14.430 12.090 o 8 7 3 0.021 -4.420 2.755 433.661 o 8 7 4 0.117 -1.316 5.189 122.242 o 8 7 5 10.795 -12.227 5.985 90.940 o 8 7 6 5.316 3.485 3.273 302.731 o 8 7 7 21.981 11.699 5.306 107.446 o 8 7 8 32.706 28.369 10.069 30.353 o 8 7 9 0.448 0.128 2.355 593.389 o 8 7 10 1.152 -10.575 6.678 73.805 o 8 7 11 7.978 6.901 7.162 63.658 o 8 7 12 1.617 -4.265 12.649 20.573 o 8 8 0 14.551 19.226 5.423 105.212 o 8 8 1 0.421 -0.747 4.248 182.377 o 8 8 2 0.778 -2.503 3.493 269.785 o 8 8 3 12.308 11.832 3.694 223.699 o 8 8 4 1.385 4.708 4.700 148.679 o 8 8 5 3.055 0.954 7.940 52.177 o 8 8 6 2.176 -1.991 4.631 153.381 o 8 8 7 0.003 -1.992 6.452 79.066 o 8 8 8 1.898 1.586 2.847 405.004 o 8 8 9 13.777 2.526 3.192 301.564 o 8 8 10 0.300 0.528 7.279 62.128 o 8 8 11 8.484 26.491 16.777 11.632 o 8 9 0 0.001 -4.154 7.837 53.598 o 8 9 1 5.444 10.170 9.531 36.093 o 8 9 2 1.676 -7.177 6.286 83.276 o 8 9 3 2.311 3.582 6.075 89.061 o 8 9 4 0.000 4.372 3.514 266.296 o 8 9 6 0.154 -15.656 30.894 3.449 o 8 9 7 12.822 2.602 4.351 168.217 o 8 9 8 1.519 1.517 4.089 196.671 o 8 9 9 1.258 -9.336 11.414 25.268 o 8 10 0 0.195 -5.149 6.007 91.226 o 8 10 1 0.006 0.010 8.009 51.323 o 8 10 2 0.015 6.859 28.598 4.025 o 8 10 3 2.079 0.867 5.260 118.879 o 8 10 4 0.034 7.839 4.931 135.074 o 8 10 5 0.036 -4.688 6.884 69.466 o 8 10 6 0.494 -16.067 7.188 63.703 o 8 11 0 0.286 1.380 9.076 39.958 o 8 11 1 4.805 0.014 6.139 87.162 o 8 11 2 0.006 -12.573 11.721 23.959 o 9 0 0 11.073 6.240 7.612 56.185 o 9 0 2 63.898 54.112 11.104 21.965 o 9 0 4 116.629 120.192 16.589 8.767 o 9 0 6 3.109 -6.164 5.459 110.347 o 9 0 8 52.600 70.834 15.353 12.632 o 9 0 10 19.899 29.709 15.380 13.692 o 9 0 12 1.342 -0.011 5.125 125.284 o 9 0 14 0.006 11.691 10.496 29.850 o 9 1 0 23.577 16.799 3.789 186.579 o 9 1 1 47.191 43.590 6.703 54.674 o 9 1 2 31.389 35.273 6.175 71.800 o 9 1 3 0.404 1.908 2.857 402.970 o 9 1 4 24.675 20.336 4.764 123.766 o 9 1 5 0.644 0.030 2.527 515.236 o 9 1 6 0.919 2.405 3.311 299.926 o 9 1 7 122.295 123.743 12.876 11.983 o 9 1 8 4.913 2.396 3.685 240.230 o 9 1 9 10.992 3.285 3.776 222.831 o 9 1 10 0.074 4.786 6.656 74.258 o 9 1 11 2.462 0.780 7.426 59.662 o 9 1 12 10.291 8.368 7.223 62.292 o 9 1 13 2.337 3.350 5.602 104.718 o 9 1 14 0.191 8.281 8.593 44.542 o 9 1 15 0.286 2.622 7.864 53.225 o 9 2 0 4.169 -1.310 2.656 463.011 o 9 2 1 1.621 -1.839 3.331 296.515 o 9 2 2 44.587 51.511 7.869 42.303 o 9 2 3 51.104 53.630 8.038 39.138 o 9 2 4 27.101 30.252 6.516 68.310 o 9 2 5 0.024 0.535 6.233 84.739 o 9 2 6 3.545 5.269 2.476 526.462 o 9 2 7 0.949 0.600 2.665 463.108 o 9 2 8 15.416 19.086 5.824 91.636 o 9 2 9 4.352 -5.622 4.534 159.671 o 9 2 10 20.223 4.895 6.177 82.706 o 9 2 11 0.632 5.957 7.826 53.715 o 9 2 12 0.102 -2.006 9.096 39.782 o 9 2 13 0.845 5.225 6.083 88.864 o 9 2 14 1.948 8.578 9.994 32.913 o 9 2 15 2.167 13.960 11.611 24.368 o 9 3 0 55.157 66.155 8.418 34.340 o 9 3 1 210.874 268.180 18.345 4.580 o 9 3 2 0.009 -0.484 2.749 435.472 o 9 3 3 4.686 8.714 4.334 172.797 o 9 3 4 36.838 27.954 5.984 74.636 o 9 3 5 1.196 4.770 2.277 629.906 o 9 3 6 3.770 -0.155 2.636 470.675 o 9 3 7 4.949 8.501 5.779 97.775 o 9 3 8 5.196 1.821 3.824 223.324 o 9 3 9 11.220 2.273 3.833 216.842 o 9 3 10 3.724 0.011 3.048 352.648 o 9 3 11 2.876 2.524 3.763 231.537 o 9 3 12 0.478 -2.865 4.382 171.440 o 9 3 13 0.541 1.402 7.269 62.294 o 9 3 14 0.903 0.019 5.370 114.135 o 9 3 15 5.448 -12.636 11.486 24.935 o 9 4 0 53.215 52.559 7.410 43.775 o 9 4 1 32.933 45.506 6.330 65.795 o 9 4 2 42.236 43.009 7.435 48.178 o 9 4 3 0.405 -8.135 2.948 378.842 o 9 4 4 12.975 7.651 5.292 113.866 o 9 4 5 13.831 7.205 4.210 176.010 o 9 4 6 12.564 14.600 4.651 143.736 o 9 4 7 1.777 -2.958 2.971 372.414 o 9 4 8 3.445 0.350 3.005 362.894 o 9 4 9 2.857 -2.688 14.229 16.257 o 9 4 10 0.414 -5.684 10.404 30.410 o 9 4 11 0.696 1.782 4.085 197.131 o 9 4 12 0.068 -8.831 6.228 84.871 o 9 4 13 3.215 -1.314 13.466 18.149 o 9 4 14 5.919 -9.596 13.153 19.015 o 9 5 0 16.221 28.796 8.017 48.919 o 9 5 1 73.195 80.221 9.125 26.443 o 9 5 2 0.532 -0.179 3.160 329.630 o 9 5 3 0.433 4.028 3.319 298.256 o 9 5 4 44.957 46.117 10.542 26.127 o 9 5 5 7.581 3.075 4.996 130.493 o 9 5 6 0.605 3.785 2.741 436.952 o 9 5 7 13.476 6.872 5.827 94.379 o 9 5 8 5.803 3.305 3.816 223.302 o 9 5 9 8.369 11.671 5.262 116.180 o 9 5 10 0.462 -0.724 4.190 187.482 o 9 5 11 2.102 -2.192 3.752 233.562 o 9 5 12 26.562 13.566 9.698 33.716 o 9 5 13 0.269 0.816 6.390 80.603 o 9 6 0 0.425 5.396 3.722 237.093 o 9 6 1 21.044 11.316 11.370 25.020 o 9 6 2 8.292 6.084 3.469 264.522 o 9 6 3 0.373 1.501 2.852 404.604 o 9 6 4 5.471 -2.025 4.059 198.624 o 9 6 6 0.009 -1.686 3.575 257.611 o 9 6 7 22.789 5.485 5.748 93.703 o 9 6 8 0.037 1.626 4.438 167.092 o 9 6 9 0.010 -1.736 1.932 882.229 o 9 6 10 1.210 -7.479 5.975 92.192 o 9 6 11 5.379 0.018 4.641 152.166 o 9 6 12 1.608 -1.795 13.509 18.038 o 9 7 0 0.102 -0.147 8.759 42.908 o 9 7 1 0.556 2.027 6.104 88.340 o 9 7 2 0.023 1.240 4.160 190.236 o 9 7 3 1.735 -2.546 5.500 108.774 o 9 7 4 11.880 15.167 7.117 63.471 o 9 7 5 0.262 -2.115 3.428 280.106 o 9 7 6 2.159 6.273 3.287 302.201 o 9 7 7 0.511 -4.262 4.182 188.189 o 9 7 8 4.735 3.883 4.367 171.285 o 9 7 9 12.642 2.049 4.829 137.597 o 9 7 10 8.744 5.392 5.259 117.234 o 9 7 11 0.672 -6.988 10.013 32.829 o 9 8 0 3.533 0.638 7.640 56.344 o 9 8 1 3.179 11.029 6.489 77.738 o 9 8 2 6.631 6.276 9.485 36.466 o 9 8 3 0.202 2.171 15.024 14.582 o 9 8 4 0.151 -0.090 3.295 303.126 o 9 8 5 8.739 2.399 8.725 43.063 o 9 8 6 4.835 3.906 3.342 290.867 o 9 8 7 5.107 1.472 5.425 111.422 o 9 8 8 14.107 29.041 10.137 31.235 o 9 8 9 6.509 0.014 4.615 153.539 o 9 9 0 1.116 3.521 6.740 72.411 o 9 9 1 0.069 1.883 5.773 98.768 o 9 9 2 0.048 4.814 6.245 84.365 o 9 9 3 10.974 -0.375 8.055 50.431 o 9 9 4 1.250 -12.329 22.291 6.625 o 9 9 5 0.077 0.336 1.415 1643.040 o 9 9 6 0.003 -5.923 6.689 73.579 o 9 9 7 0.912 -1.027 5.609 104.610 o 9 9 8 3.155 0.014 5.646 103.150 o 9 10 0 1.721 2.884 2.416 560.977 o 9 10 1 2.693 0.755 4.511 161.528 o 9 10 2 2.932 -18.359 13.408 18.306 o 9 10 3 0.034 6.025 10.561 29.505 o 9 10 4 0.305 -0.014 6.972 67.713 o 10 0 0 9.296 0.366 8.517 45.203 o 10 0 2 15.299 19.471 10.863 27.427 o 10 0 4 1.152 -3.247 4.549 159.013 o 10 0 6 39.877 37.728 10.230 28.440 o 10 0 8 9.432 11.830 7.857 52.675 o 10 0 10 1.337 -4.709 6.343 81.809 o 10 0 12 1.846 -10.080 9.654 35.314 o 10 0 14 15.538 -23.409 15.273 14.064 o 10 1 0 6.587 14.957 9.333 37.513 o 10 1 1 22.295 43.127 12.148 21.408 o 10 1 2 17.840 20.002 7.346 58.315 o 10 1 3 0.888 2.215 2.723 443.044 o 10 1 4 0.560 -3.013 2.360 591.088 o 10 1 5 9.335 8.098 1.587 1064.500 o 10 1 6 17.608 18.424 4.714 134.165 o 10 1 7 1.478 -2.479 4.171 189.155 o 10 1 8 3.226 3.047 5.199 121.467 o 10 1 9 0.227 -8.261 6.780 71.597 o 10 1 10 2.850 1.816 2.921 383.851 o 10 1 11 7.330 8.628 6.658 73.542 o 10 1 12 1.502 -3.523 5.955 92.810 o 10 1 13 7.087 0.382 6.905 68.783 o 10 1 14 2.008 -0.007 3.756 233.174 o 10 2 0 25.900 22.401 7.511 54.106 o 10 2 1 118.020 150.928 26.805 3.925 o 10 2 2 4.354 7.964 6.771 71.456 o 10 2 3 3.787 3.187 2.571 491.112 o 10 2 4 0.017 5.947 3.412 282.016 o 10 2 5 2.922 1.710 2.609 480.384 o 10 2 6 29.459 23.925 5.892 81.843 o 10 2 7 11.940 3.814 3.072 327.406 o 10 2 8 0.319 -0.600 5.662 102.669 o 10 2 9 18.462 3.224 18.804 9.275 o 10 2 10 0.023 -5.846 8.964 40.969 o 10 2 11 20.831 6.798 7.579 55.484 o 10 2 12 2.919 1.189 5.107 125.997 o 10 2 13 4.771 0.013 3.950 210.028 o 10 2 14 15.537 0.013 6.968 66.732 o 10 3 0 9.115 5.984 4.269 176.084 o 10 3 1 56.432 71.695 15.848 11.819 o 10 3 2 0.047 1.498 4.899 137.132 o 10 3 3 0.437 0.334 4.492 163.090 o 10 3 4 10.684 15.637 4.392 161.464 o 10 3 5 12.054 12.376 4.609 147.534 o 10 3 6 16.919 10.786 5.384 107.611 o 10 3 7 0.744 -2.766 5.151 124.037 o 10 3 8 0.021 -15.505 7.376 60.505 o 10 3 9 1.950 -1.877 13.734 17.451 o 10 3 10 1.265 -5.660 9.250 38.471 o 10 3 11 0.504 -7.099 10.199 31.642 o 10 3 12 0.955 0.577 12.172 22.215 o 10 3 13 1.920 -0.370 15.167 14.308 o 10 4 0 4.655 6.494 6.835 70.154 o 10 4 1 41.346 64.361 14.938 13.686 o 10 4 2 16.823 40.450 16.325 12.151 o 10 4 3 4.173 3.078 2.192 670.381 o 10 4 4 0.170 -2.256 3.008 363.698 o 10 4 5 0.067 1.390 4.551 158.912 o 10 4 6 0.336 0.147 3.373 289.385 o 10 4 7 18.122 14.731 5.546 100.232 o 10 4 8 6.533 6.555 7.249 62.282 o 10 4 9 6.104 -3.256 32.110 3.192 o 10 4 10 8.191 0.943 7.256 62.241 o 10 4 11 3.477 -6.323 9.809 34.199 o 10 4 12 0.211 -0.003 3.701 240.297 o 10 5 0 0.104 -3.598 2.763 431.185 o 10 5 1 46.950 62.767 15.568 12.560 o 10 5 2 14.030 14.925 6.870 67.613 o 10 5 3 6.240 9.300 5.930 92.616 o 10 5 4 1.858 5.753 5.456 110.329 o 10 5 5 1.733 -1.123 4.101 195.615 o 10 5 6 4.459 -1.189 5.022 130.202 o 10 5 7 1.663 -4.059 5.660 102.722 o 10 5 8 11.021 8.844 4.608 149.601 o 10 5 9 5.350 1.187 3.524 262.663 o 10 5 10 3.901 -0.334 2.701 448.203 o 10 5 11 4.620 0.878 10.413 30.335 o 10 5 12 1.508 0.014 2.904 390.049 o 10 6 0 41.050 47.184 16.985 10.903 o 10 6 1 0.313 -36.195 17.584 10.646 o 10 6 2 6.502 -20.366 13.260 18.707 o 10 6 3 8.447 13.869 14.595 15.399 o 10 6 4 0.586 -0.824 4.479 164.056 o 10 6 5 2.340 -9.793 7.114 65.013 o 10 6 6 0.052 -1.551 1.845 966.667 o 10 6 7 0.583 -1.474 3.399 284.830 o 10 6 9 1.837 -5.928 7.288 61.958 o 10 6 10 13.613 2.328 7.393 59.461 o 10 6 11 0.347 -0.014 3.592 255.094 o 10 7 0 37.143 19.878 11.394 24.038 o 10 7 1 0.645 -16.425 13.541 17.953 o 10 7 2 7.070 2.976 10.635 29.042 o 10 7 3 10.387 25.123 17.256 10.993 o 10 7 4 3.073 1.414 6.183 86.012 o 10 7 5 5.443 3.904 8.433 46.178 o 10 7 6 0.478 1.113 3.429 279.793 o 10 7 7 0.331 -4.923 3.388 286.843 o 10 7 8 3.537 0.409 5.280 117.901 o 10 7 9 1.944 -0.006 3.175 326.087 o 10 8 0 6.738 -15.427 13.663 17.620 o 10 8 1 7.204 37.676 20.266 7.972 o 10 8 2 12.864 6.517 8.970 40.491 o 10 8 3 0.458 -38.016 19.458 8.694 o 10 8 4 1.107 5.071 6.145 87.070 o 10 8 5 0.833 0.867 7.752 54.772 o 10 8 6 1.031 -2.277 5.345 115.184 o 10 8 7 0.102 0.574 4.786 143.724 o 10 9 5 2.373 -3.910 6.529 77.176 o 11 0 0 3.362 -1.623 5.093 126.749 o 11 0 2 0.994 -19.931 11.773 23.750 o 11 0 4 12.194 18.997 9.835 33.511 o 11 0 6 80.542 119.167 27.308 4.070 o 11 0 10 17.674 -16.995 12.032 22.580 o 11 0 12 0.011 0.013 8.984 40.783 o 11 1 0 2.249 9.795 6.425 79.415 o 11 1 1 19.679 31.829 10.137 30.814 o 11 1 2 2.594 1.047 2.599 484.905 o 11 1 3 18.664 45.142 13.139 18.483 o 11 1 4 3.308 3.575 9.463 36.724 o 11 1 5 36.303 49.732 12.971 18.260 o 11 1 6 0.008 3.967 5.650 103.087 o 11 1 10 12.269 6.023 6.951 67.089 o 11 1 11 37.369 13.932 15.079 14.085 o 11 1 12 13.800 -2.580 6.289 81.946 o 11 2 0 0.031 7.612 11.305 25.746 o 11 2 1 0.000 -3.597 7.998 51.460 o 11 2 2 0.295 -1.863 7.389 60.298 o 11 2 3 0.733 1.172 7.586 57.199 o 11 2 4 0.416 3.373 10.729 28.591 o 11 2 5 3.444 7.426 2.889 386.820 o 11 2 6 22.398 25.519 9.381 35.788 o 11 2 10 5.372 21.785 16.962 11.408 o 11 2 11 12.191 -2.364 4.528 156.906 o 11 2 12 0.020 -0.013 5.391 113.256 o 11 3 0 5.960 5.113 5.632 103.024 o 11 3 1 18.397 18.893 7.818 51.743 o 11 3 2 3.237 -4.957 4.601 155.221 o 11 3 3 1.559 -8.947 4.930 135.379 o 11 3 4 1.294 6.722 4.361 172.450 o 11 3 5 0.933 -0.585 8.317 47.582 o 11 3 6 4.518 9.579 7.413 59.601 o 11 3 7 17.603 34.325 16.149 12.437 o 11 3 10 32.044 0.012 12.929 19.311 o 11 3 11 28.058 3.084 13.543 17.676 o 11 3 12 24.674 5.126 18.107 9.967 o 11 4 0 12.155 17.877 8.293 46.887 o 11 4 1 10.760 3.423 2.840 384.320 o 11 4 2 1.642 -0.934 4.055 200.099 o 11 4 3 5.168 -0.033 5.959 92.489 o 11 4 4 1.408 1.853 4.784 143.717 o 11 4 5 0.462 2.673 11.335 25.619 o 11 4 6 4.500 7.826 8.254 48.157 o 11 4 7 5.006 8.789 8.870 41.688 o 11 4 10 5.481 -14.980 11.791 23.659 o 11 4 11 1.458 -6.036 7.909 52.621 o 11 5 0 3.772 2.580 4.869 138.368 o 11 5 1 43.215 64.145 16.828 10.921 o 11 5 2 0.501 -0.788 4.825 141.380 o 11 5 3 7.258 8.551 10.853 27.846 o 11 5 4 8.306 15.033 12.417 21.237 o 11 5 5 16.669 19.653 14.380 15.746 o 11 5 6 1.073 1.983 6.264 83.861 o 11 5 7 6.328 8.416 10.599 29.206 o 11 6 0 15.825 17.677 14.186 16.199 o 11 6 1 2.102 15.535 14.723 15.164 o 11 6 2 0.150 -21.454 14.101 16.555 o 11 6 3 2.794 -4.626 7.035 66.473 o 11 6 4 8.279 10.482 11.181 26.207 o 11 6 5 3.326 -8.106 8.952 41.058 o 11 6 6 2.041 -0.012 7.312 61.543 o 11 6 7 11.120 20.297 15.682 13.306 o 11 7 0 9.166 -12.311 11.385 25.341 o 11 7 1 2.844 24.133 17.956 10.187 o 11 7 2 1.578 0.930 3.820 225.361 o 11 7 3 0.253 4.551 10.254 31.299 o 11 7 4 0.289 0.013 6.540 76.952 o 11 7 5 2.105 8.814 9.424 37.007 o 11 7 6 0.144 15.966 17.125 11.216 o 11 7 7 0.122 -9.826 9.927 33.401 o 12 0 0 53.192 92.505 28.190 3.983 o 12 0 2 85.323 121.719 31.317 3.137 o 12 0 4 57.176 87.486 26.395 4.513 o 12 1 0 0.064 0.508 3.553 260.735 o 12 1 1 10.658 18.140 8.272 47.247 o 12 1 2 0.138 -6.278 6.118 87.932 o 12 1 3 21.718 22.937 9.258 36.881 o 12 1 4 2.308 9.805 16.332 12.332 o 12 1 5 22.079 33.354 10.693 27.624 o 12 2 0 23.518 35.609 11.719 23.046 o 12 2 1 0.013 -4.796 14.810 15.007 o 12 2 2 10.692 16.806 8.357 46.352 o 12 2 3 0.081 9.355 7.635 56.399 o 12 2 4 6.169 5.904 5.798 97.161 o 12 2 5 2.330 -3.020 3.043 354.910 o 12 3 0 1.399 4.567 3.023 358.458 o 12 3 1 2.056 -7.010 6.222 84.996 o 12 3 2 11.518 24.144 8.972 40.000 o 12 3 3 0.477 -17.258 8.915 41.415 o 12 3 4 9.041 13.195 7.533 57.217 o 12 3 5 5.206 7.550 6.779 71.223 o 12 3 6 1.138 -4.650 5.648 103.177 o 12 4 0 0.091 -0.725 8.437 46.244 o 12 4 1 3.560 2.093 3.856 220.373 o 12 4 2 2.534 -4.169 15.175 14.293 o 12 4 3 10.474 8.482 13.222 18.753 o 12 4 4 9.707 15.284 8.308 47.029 o 12 4 5 2.231 0.261 6.339 81.892 o 12 4 6 23.718 3.418 7.337 58.871 o 12 5 0 0.027 1.700 4.365 172.739 o 12 5 1 1.427 -4.004 9.421 37.083 o 12 5 2 2.011 -11.783 7.365 60.677 o 12 5 3 1.073 -10.457 10.198 31.650 o 12 5 4 5.138 3.104 9.810 34.151 o 12 5 5 0.677 -12.107 10.921 27.597 o 12 5 6 14.568 12.230 14.906 14.724 o 12 6 0 9.136 -31.874 18.132 10.004 o 12 6 1 8.127 17.318 17.588 10.610 o 12 6 2 1.082 0.014 5.313 116.599 o 12 6 3 3.649 14.268 13.284 18.613 o 13 0 0 6.509 18.185 12.294 21.665 o 13 0 2 18.924 19.882 16.800 11.553 o 13 0 4 2.787 -7.110 10.296 31.042 o 13 1 0 0.219 0.025 2.500 526.505 o 13 1 1 0.245 -5.297 5.074 127.858 o 13 1 2 1.913 2.200 3.831 223.861 o 13 1 3 0.878 0.211 2.931 383.080 o 13 1 4 1.262 11.469 8.432 46.191 o 13 2 0 5.792 -2.003 11.004 27.158 o 13 2 1 8.168 -1.737 3.494 264.987 o 13 2 2 3.551 -5.754 10.104 32.227 o 13 2 3 10.893 4.470 3.531 252.827 o 13 2 4 1.883 -0.047 2.472 537.777 o 13 3 0 1.112 1.666 3.221 316.903 o 13 3 1 6.309 6.842 7.594 56.787 o 13 3 2 0.000 -10.562 6.721 72.869 o 13 3 3 4.954 -13.981 7.755 54.659 o 13 3 4 0.049 -10.912 10.457 30.101 o 13 3 5 3.891 0.277 2.905 387.641 o 13 4 0 8.459 13.230 10.649 28.840 o 13 4 1 10.641 2.126 14.864 14.869 o 13 4 2 0.001 -2.799 7.579 57.299 o 13 4 3 5.641 5.408 7.152 64.066 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 1.105 _oxdiff_exptl_absorpt_empirical_full_min 0.861 loop_ _space_group_symop_id _space_group_symop_operation_xyz 1 x,y,z 2 -x,y+1/2,-z+1/2 3 -x,-y,-z 4 x,-y-1/2,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 O1 O 0.77388(19) 0.4301(2) 0.41728(10) 0.0551(5) Uani 1.000000 . N1 N 0.98073(19) 0.5458(2) 0.33577(11) 0.0464(6) Uani 1.000000 . N2 N 0.8477(2) 0.6006(2) 0.22168(11) 0.0478(6) Uani 1.000000 . O2 O 1.12362(19) 0.6045(3) 0.43985(10) 0.0715(7) Uani 1.000000 . F1 F 0.6188(2) 0.7595(2) 0.40451(11) 0.0911(7) Uani 1.000000 . F2 F 0.53971(19) 0.5600(3) 0.41457(11) 0.0936(7) Uani 1.000000 . F3 F 0.6924(2) 0.6417(3) 0.49990(10) 0.0970(7) Uani 1.000000 . C8 C 0.8452(2) 0.5240(3) 0.28688(13) 0.0430(6) Uani 1.000000 . C9 C 0.8256(2) 0.3700(3) 0.27289(14) 0.0452(6) Uani 1.000000 . C2 C 1.0729(3) 0.5222(3) 0.23116(14) 0.0508(7) Uani 1.000000 . C12 C 0.5944(2) 0.5420(3) 0.27173(15) 0.0538(7) Uani 1.000000 . C14 C 1.0072(3) 0.5964(3) 0.40208(14) 0.0525(7) Uani 1.000000 . C7 C 0.9522(3) 0.5731(3) 0.18993(14) 0.0482(6) Uani 1.000000 . C13 C 0.7330(3) 0.5883(3) 0.31659(14) 0.0469(6) Uani 1.000000 . C15 C 0.8933(3) 0.6453(3) 0.43070(14) 0.0575(7) Uani 1.000000 . C10 C 0.6858(3) 0.3345(3) 0.22767(15) 0.0555(7) Uani 1.000000 . C6 C 0.9393(3) 0.6035(3) 0.11793(15) 0.0619(8) Uani 1.000000 . C11 C 0.5793(3) 0.3875(3) 0.26208(16) 0.0594(8) Uani 1.000000 . C1 C 1.0930(3) 0.4946(4) 0.30930(16) 0.0589(8) Uani 1.000000 . C3 C 1.1776(3) 0.4991(3) 0.19896(18) 0.0635(8) Uani 1.000000 . C16 C 0.7628(3) 0.5710(3) 0.39823(14) 0.0512(7) Uani 1.000000 . C4 C 1.1647(4) 0.5293(4) 0.1285(2) 0.0767(10) Uani 1.000000 . C5 C 1.0457(4) 0.5829(4) 0.08848(18) 0.0746(10) Uani 1.000000 . C2s C 0.4832(4) 0.6513(4) 0.05018(19) 0.0793(10) Uani 1.000000 . N1s N 0.5768(4) 0.6222(5) 0.0912(2) 0.1249(15) Uani 1.000000 . C3s C 0.3640(4) 0.6888(5) -0.0033(2) 0.1002(14) Uani 1.000000 . C17 C 0.6536(3) 0.6320(4) 0.42866(17) 0.0692(9) Uani 1.000000 . H2 H 0.771(3) 0.606(3) 0.1928(16) 0.065(9) Uiso 1.000000 . H1 H 0.810(3) 0.425(4) 0.4682(19) 0.086(11) Uiso 1.000000 . H13 H 0.736(2) 0.687(3) 0.3096(14) 0.057(8) Uiso 1.000000 . H1a H 1.172(3) 0.539(3) 0.3380(16) 0.073(10) Uiso 1.000000 . H9a H 0.8918(2) 0.3377(3) 0.24862(14) 0.0543(7) Uiso 1.000000 R H9b H 0.8415(2) 0.3222(3) 0.31848(14) 0.0543(7) Uiso 1.000000 R H10a H 0.6725(3) 0.3748(3) 0.18030(15) 0.0666(9) Uiso 1.000000 R H10b H 0.6774(3) 0.2355(3) 0.22215(15) 0.0666(9) Uiso 1.000000 R H11a H 0.5890(3) 0.3437(3) 0.30835(16) 0.0713(9) Uiso 1.000000 R H11b H 0.4905(3) 0.3659(3) 0.23198(16) 0.0713(9) Uiso 1.000000 R H12a H 0.5263(2) 0.5751(3) 0.29449(15) 0.0645(9) Uiso 1.000000 R H12b H 0.5774(2) 0.5847(3) 0.22474(15) 0.0645(9) Uiso 1.000000 R H15a H 0.9168(3) 0.6325(3) 0.48235(14) 0.0690(9) Uiso 1.000000 R H15b H 0.8802(3) 0.7430(3) 0.42119(14) 0.0690(9) Uiso 1.000000 R H6 H 0.8584(3) 0.6380(3) 0.08980(15) 0.0743(10) Uiso 1.000000 R H5 H 1.0371(4) 0.6055(4) 0.04061(18) 0.0895(11) Uiso 1.000000 R H4 H 1.2359(4) 0.5137(4) 0.1079(2) 0.0920(12) Uiso 1.000000 R H3 H 1.2582(3) 0.4623(3) 0.22613(18) 0.0762(10) Uiso 1.000000 R H3sa H 0.3508(18) 0.6263(19) -0.0431(8) 0.150(2) Uiso 1.000000 GR H3sb H 0.2877(6) 0.685(3) 0.0168(5) 0.150(2) Uiso 1.000000 GR H3sc H 0.3734(13) 0.7807(12) -0.0196(12) 0.150(2) Uiso 1.000000 GR H1b H 1.108(3) 0.389(3) 0.3201(15) 0.064(8) Uiso 1.000000 . 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 O1 0.0687(12) 0.0477(13) 0.0442(11) -0.0030(9) 0.0059(9) 0.0040(9) N1 0.0439(11) 0.0499(15) 0.0402(12) -0.0019(9) 0.0014(9) 0.0034(10) N2 0.0497(13) 0.0475(15) 0.0416(12) 0.0011(10) 0.0032(10) 0.0050(10) O2 0.0590(12) 0.0936(19) 0.0495(11) -0.0243(11) -0.0086(9) 0.0043(11) F1 0.1076(15) 0.0739(16) 0.0970(14) 0.0338(12) 0.0354(12) 0.0001(11) F2 0.0768(13) 0.112(2) 0.1033(16) -0.0034(12) 0.0436(12) -0.0112(13) F3 0.1182(16) 0.117(2) 0.0613(12) 0.0212(13) 0.0335(11) -0.0122(11) C8 0.0420(13) 0.0415(15) 0.0397(13) 0.0012(10) 0.0001(10) 0.0022(11) C9 0.0479(13) 0.0372(15) 0.0482(14) 0.0033(11) 0.0080(11) 0.0021(11) C2 0.0529(15) 0.0438(17) 0.0543(16) -0.0069(12) 0.0114(13) -0.0019(12) C12 0.0456(14) 0.058(2) 0.0539(16) 0.0098(12) 0.0060(12) -0.0012(13) C14 0.0567(16) 0.0496(18) 0.0435(15) -0.0117(12) -0.0014(12) 0.0075(12) C7 0.0559(15) 0.0405(16) 0.0456(14) -0.0068(12) 0.0084(12) -0.0012(12) C13 0.0532(15) 0.0389(17) 0.0448(14) 0.0054(12) 0.0054(11) -0.0008(12) C15 0.0715(18) 0.0510(19) 0.0445(15) -0.0032(14) 0.0049(13) -0.0048(13) C10 0.0559(15) 0.0459(18) 0.0586(17) -0.0039(12) 0.0034(13) -0.0070(13) C6 0.081(2) 0.054(2) 0.0494(17) -0.0056(15) 0.0127(15) -0.0019(14) C11 0.0480(15) 0.056(2) 0.0678(19) -0.0056(13) 0.0023(13) -0.0054(14) C1 0.0476(16) 0.067(2) 0.0574(18) 0.0025(15) 0.0050(13) 0.0063(16) C3 0.0652(18) 0.0468(19) 0.082(2) -0.0025(14) 0.0248(16) -0.0046(16) C16 0.0579(16) 0.0470(18) 0.0467(15) 0.0005(12) 0.0100(12) -0.0012(12) C4 0.098(3) 0.061(2) 0.083(2) -0.0027(19) 0.047(2) -0.0101(19) C5 0.107(3) 0.068(2) 0.0557(18) -0.010(2) 0.033(2) -0.0107(17) C2s 0.084(2) 0.092(3) 0.063(2) 0.018(2) 0.0209(19) 0.0192(19) N1s 0.096(2) 0.173(5) 0.092(2) 0.013(2) -0.002(2) 0.051(3) C3s 0.087(2) 0.126(4) 0.086(3) 0.041(2) 0.020(2) 0.019(3) C17 0.081(2) 0.070(2) 0.059(2) 0.0106(18) 0.0231(17) -0.0038(17) 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 0.00000 0.00000 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)' 'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2' C 0.00347 0.00161 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)' 'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2' F 0.01794 0.01033 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)' 'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2' O 0.01158 0.00611 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)' 'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2' N 0.00653 0.00323 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)' 'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2' 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 4 35434.3 1457.49 2 0 0 -4 35173.9 1522.72 2 0 0 5 -15.468 153.935 2 0 0 -5 -139.011 149.193 2 0 0 6 827063 8864.95 2 0 0 7 1391.3 595.824 2 0 0 8 57885.1 2694.11 2 0 0 9 267.78 360.54 2 0 0 10 304380 6943.69 2 0 0 11 1105.43 1039.3 4 0 0 11 1265.92 635.904 2 0 0 12 81282 3935.15 4 0 0 12 88613.1 4140.03 2 0 0 13 883.125 554.251 2 0 0 13 298.971 348.483 4 0 0 14 14715.8 1801.06 4 0 0 14 16659.5 1896.43 2 0 0 15 -246.756 223.577 2 0 0 15 919.602 559.264 4 0 0 16 356.649 283.061 2 0 0 16 873.469 525.316 4 0 0 17 187.401 268.245 2 0 0 18 6396.47 1373.33 2 0 0 19 151.577 203.538 2 0 0 20 1104.98 630.82 2 0 0 21 -866.651 751.237 2 0 0 22 5088.34 1334.02 2 0 0 23 -203.722 296.777 2 0 0 24 1049.94 774.966 2 0 0 25 -269.789 365.495 2 0 -1 -3 564.083 183.488 1 0 1 -3 801.257 233.056 2 0 1 3 283.428 128.132 1 0 -1 3 657.943 204.755 4 0 -1 3 707.932 196.439 2 0 -1 4 81434.7 2346.13 2 0 1 4 80485.3 2383.41 1 0 -1 -4 85382.3 2440.47 1 0 1 -4 84817 2419.5 2 0 -1 4 78620.9 2247.21 4 0 -1 5 1695.94 358.673 2 0 -1 5 1778 406.94 4 0 1 5 1772.07 371.138 2 0 1 6 138.736 136.292 2 0 -1 6 583.507 326.394 4 0 -1 6 164.59 133.196 2 0 -1 7 71056.8 2796.51 4 0 1 7 71730.9 2808.4 2 0 -1 7 68031.4 2671.77 2 0 -1 8 2787.86 732.037 4 0 -1 8 2153.54 535.998 2 0 1 8 525.348 144.104 3 0 1 8 2212.02 497.509 2 0 -1 9 39940.3 2395.21 4 0 -1 9 42468.8 2387.96 2 0 1 9 40728.5 2393.38 2 0 1 10 38105.3 2438.58 2 0 -1 10 38432.9 2420.36 2 0 -1 10 36450.9 2452.42 4 0 1 11 76173.9 3718.29 2 0 -1 11 67895 3344.01 2 0 -1 11 67361.9 3474.75 4 0 1 12 489.338 208.947 2 0 -1 12 864.278 713.846 4 0 -1 12 713.941 490.724 2 0 1 12 131.786 76.4178 3 0 -1 13 38989.9 2776.62 2 0 -1 13 40192.3 2889.88 4 0 1 13 40820 2837.23 4 0 1 13 43267.6 3038.64 2 0 -1 14 1605.79 691.56 2 0 1 14 1065.93 441.912 2 0 1 14 863.878 483.828 4 0 -1 14 1473.65 693.644 4 0 -1 15 366.933 358.03 2 0 1 15 824.494 430.581 4 0 1 15 1.63807 426.532 2 0 -1 16 87.9812 340.988 2 0 1 16 594.224 441.941 2 0 1 16 748.583 469.305 4 0 1 17 734.379 414.042 2 0 -1 17 -92.774 189.865 2 0 1 17 396.388 430.533 4 0 1 18 -195.646 352.123 4 0 -1 18 29.706 232.336 2 0 1 18 22.9219 309.377 2 0 1 19 174.977 150.426 2 0 -1 19 385.738 309.398 2 0 -1 20 1853.15 819.026 2 0 1 20 1715.62 695.985 2 0 1 21 310.815 368.965 2 0 -1 21 -50.1521 357.557 2 0 1 22 -422.192 486.426 2 0 -1 22 117.71 110.821 2 0 1 23 571.063 500.201 2 0 -1 23 0.55288 447.595 2 0 1 24 -0.56198 341.56 2 0 -1 24 -328.228 390.542 2 0 1 25 63.6434 299.551 2 0 -1 25 149.337 544.612 2 0 -2 0 999999 7904.38 1 0 2 0 957774 7635.99 1 0 2 -1 493129 5581.06 2 0 2 1 485194 5668.47 1 0 -2 -1 504613 5673.42 1 0 2 -1 477533 5527.95 1 0 2 -2 510629 6017.35 2 0 -2 2 496367 5966.2 2 0 -2 -2 498939 6006.94 1 0 2 3 904938 8490.75 1 0 2 -3 934569 8432.98 2 0 -2 3 899137 8417.69 2 0 2 -3 947457 7314.68 4 0 2 4 20965.5 1343.25 1 0 -2 4 23348.3 1403.51 2 0 2 5 15920.9 1260.55 1 0 -2 5 14765.2 1199.81 2 0 -2 6 15634.7 1295.72 2 0 2 6 15851.5 1368.29 1 0 -2 7 1820.09 455.855 2 0 2 7 1678.03 452.752 1 0 -2 8 53855.5 2709.26 2 0 2 8 54348.2 2764.58 1 0 2 9 136327 4581.34 2 0 -2 9 141306 4678.41 2 0 2 10 8932.97 820.398 3 0 2 10 9626.39 1244.74 2 0 -2 10 10842.5 1345.25 2 0 2 -10 9843.88 581.935 3 0 2 11 -8.79532 432.619 2 0 2 -11 139.963 53.5003 3 0 2 11 47.8043 47.0913 3 0 -2 11 377.078 357.696 2 0 2 12 1379.93 469.748 2 0 -2 12 988.405 414.535 2 0 2 12 656.112 224.341 3 0 -2 13 788.181 400.644 2 0 2 13 725.387 386.444 2 0 2 13 447.076 181.979 3 0 -2 14 -177.513 298.63 2 0 2 14 306.107 203.106 2 0 2 15 1844.24 596.873 4 0 2 15 1723.66 712.376 2 0 -2 15 1979.88 747.972 2 0 2 16 1283.11 599.566 4 0 2 16 1161.6 477.42 2 0 -2 16 1633.32 669.267 2 0 -2 17 891.521 305.049 2 0 2 17 708.196 435.801 4 0 2 17 717.192 460.266 2 0 2 18 856.688 515.614 4 0 -2 18 262.149 284.535 2 0 2 18 32.7081 397.703 2 0 2 19 699.704 438.6 4 0 -2 19 380.613 241.054 2 0 2 19 587.442 466.18 2 0 -2 20 1064.81 641.123 2 0 2 20 1331.64 779.196 2 0 -2 21 925.339 543.678 2 0 2 21 821.509 681.734 2 0 2 22 26.3111 349.583 2 0 -2 22 -299.868 360.607 2 0 -2 23 -0.55536 292.311 2 0 2 23 706.733 590.469 2 0 -2 24 -314.761 385.47 2 0 2 24 0.58548 145.142 2 0 2 25 20.843 158.445 2 0 -2 25 126.467 471.043 2 0 3 0 -30.4154 159.592 1 0 3 -1 639.648 277.554 1 0 3 1 172.197 145.898 1 0 3 2 12515 1127.08 1 0 3 -2 12235.2 1077.99 1 0 3 3 24414.4 1618.76 1 0 3 -3 22285.5 1184.44 4 0 -3 3 22960.5 1567.21 2 0 -3 4 90.1986 236.864 2 0 3 4 759.828 318.341 1 0 3 5 1297.14 356.945 1 0 -3 5 1174.21 357.788 2 0 3 6 795.504 311.705 1 0 -3 6 218.929 153.852 2 0 -3 7 5826.04 907.93 2 0 3 7 5396.35 884.109 1 0 -3 8 67064.8 3216.15 2 0 3 8 69678.4 3409.62 1 0 -3 9 -311.277 323.617 2 0 3 9 -56.5166 301.582 1 0 -3 10 36171.8 2572.1 2 0 3 10 34831.4 2578.08 1 0 -3 11 169.668 345.859 2 0 3 11 -399.212 402.894 2 0 -3 12 574.07 429.913 2 0 3 12 233.375 169.927 2 0 3 -12 366.489 149.95 3 0 3 -13 1767.4 286.495 3 0 -3 13 1637.02 623.348 2 0 3 13 3019.04 891.377 2 0 -3 14 3044.82 818.524 2 0 3 14 3607.47 1000.63 2 0 -3 15 12387.1 1796.16 2 0 3 15 13206.6 1882.76 2 0 3 15 9557.66 1474.2 4 0 3 16 1029.66 560.981 4 0 -3 16 858.05 636.369 2 0 3 16 860.281 521.538 2 0 3 17 2328.8 801.593 4 0 -3 17 2483.74 852.438 2 0 3 17 3143.92 940.023 2 0 -3 18 608.543 515.463 2 0 3 18 858.292 681.169 2 0 3 18 584.937 484.141 4 0 3 19 292.411 317.759 4 0 -3 19 1930.64 900.81 2 0 3 19 1753.88 728.455 2 0 3 20 5078.53 1340.38 2 0 -3 20 5124.25 1346.39 2 0 -3 21 508.637 551.942 2 0 3 21 209.741 248.881 2 0 -3 22 71.5844 366.919 2 0 3 22 1217.59 841.676 2 0 3 23 1539 818.261 2 0 -3 23 118.937 390.966 2 0 -3 24 -188.182 310.831 2 0 3 24 70.4808 217.561 2 0 -3 25 0.62116 450.486 2 0 3 25 397.952 725.652 2 0 4 0 284970 6039.09 1 0 4 1 495050 8085.65 1 0 4 -1 495731 8032.89 1 0 4 2 106606 3848.42 1 0 4 -2 103987 3725.85 1 0 4 -3 1719.1 451.972 1 0 4 3 2941.89 653.456 1 0 -4 4 28555.8 2000.86 2 0 4 4 29731.1 2035.11 1 0 4 -4 27343.9 1956.33 1 0 -4 5 2215.82 596.09 2 0 4 5 1257.94 464.539 1 0 4 6 58224.4 3076.06 1 0 -4 6 58816.7 3056.46 2 0 -4 7 13803.5 1582.59 2 0 4 7 11989.6 1416.69 1 0 4 8 179.867 176.845 1 0 -4 8 168.975 174.12 2 0 -4 9 11317.2 1478.74 2 0 4 9 11730.6 1473.58 1 0 -4 10 1371.85 516.826 2 0 4 10 1229.56 599.802 1 0 -4 11 8607.77 1351.05 2 0 4 11 7882.6 1404.09 1 0 4 12 9437.09 1547.32 1 0 -4 12 9873.21 1470.12 2 0 -4 13 3024.93 857.973 2 0 4 13 3123.24 899.49 2 0 -4 14 1942.01 750.237 2 0 4 14 1457.21 484.651 2 0 4 15 744.186 552.445 2 0 -4 15 350.048 195.901 2 0 4 16 2392.66 857.503 2 0 4 16 2374.07 768.756 4 0 -4 16 2487.06 903.491 2 0 -4 17 6215.96 1390.25 2 0 4 17 5757.86 1167.75 4 0 4 17 7485.5 1469.8 2 0 4 18 2250.58 703.581 4 0 -4 18 2604.89 856.791 2 0 4 18 2896.89 901.447 2 0 4 19 431.283 338.94 4 0 4 19 2078.42 737.33 2 0 -4 19 1113.4 592.854 2 0 4 20 -198.94 475.097 2 0 -4 20 751.287 488.773 2 0 4 21 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3045.56 765.038 2 5 1 8 3599.82 676.608 3 5 -1 8 3688.33 687.425 3 5 1 9 30742.8 2722.46 2 5 -1 9 31629.1 2693.57 2 5 1 9 36886.8 2193.23 3 5 -1 9 32842 1971.9 3 5 1 10 136.007 340.159 2 5 1 10 1437.8 411.776 3 5 -1 10 837.508 261.933 3 5 -1 10 764.898 476.991 2 5 1 11 3156.13 1034.8 2 5 -1 11 3457.2 961.753 2 5 1 11 3611.05 642.216 3 5 1 12 4642.1 1147.54 2 5 -1 12 3964.6 1054.14 2 5 1 13 -191.132 517.841 2 5 -1 13 -355.496 413.578 2 5 1 14 1501.95 789.292 2 5 -1 14 2190.95 778.154 2 5 1 15 2468.14 891.58 2 5 -1 15 3122.15 1074.38 2 5 1 16 750.518 615.984 2 5 -1 16 61.6165 305.244 2 5 1 17 2798.32 1039.65 2 5 -1 17 2307.36 872.399 2 5 1 18 759.52 604.958 2 5 -1 18 996.042 687.29 2 5 1 19 988.579 784.688 2 5 -1 19 1008.44 686.792 2 5 1 20 -1140.35 727.019 2 5 -1 20 25.3133 244.329 2 -5 2 19 1760.56 596.687 2 -5 -2 19 2008.75 664.976 2 -5 2 18 117.266 141.049 2 -5 -2 18 747.444 412.282 2 -5 2 17 1720.02 560.058 2 -5 -2 17 980.58 344.818 2 5 2 -17 1856.65 610.355 3 5 -2 -16 3310.25 819.424 3 -5 2 16 3499.03 786.62 2 5 2 -16 3800.53 842.753 3 -5 -2 16 3322.94 753.616 2 -5 2 15 22478.7 1900.31 2 -5 -2 15 22937.3 1852.18 2 5 -2 -15 20266.9 2053.77 3 5 2 -15 20225.3 1949.95 3 -5 2 14 51763.8 2738.84 2 -5 -2 14 53444.4 2708.59 2 5 2 -14 49629.7 3059 3 5 -2 -14 45244.5 3036.49 3 5 -2 -13 2250.94 638.269 3 -5 2 13 3160.81 606.364 2 5 2 -13 2798.33 698.492 3 -5 -2 13 2971.88 569.094 2 -5 2 12 364.614 236.103 2 5 2 -12 400.196 332.085 3 -5 -2 12 378.914 208.09 2 5 -2 -12 282.717 138.622 3 -5 2 11 16325.5 1249.29 2 -5 -2 11 17109.8 1264.36 2 5 2 -11 13486.3 1541.42 3 5 -2 -11 15380.8 1678.5 3 5 2 -10 38254.8 2607.58 3 -5 2 10 40525.9 1847.52 2 -5 2 10 41900 2058.28 1 5 -2 -10 41006.8 2774.4 3 5 2 -9 1786.73 351.484 2 -5 2 9 4128.25 607.874 1 5 2 -9 2915.96 747.145 3 5 -2 -9 3853.22 805.202 3 5 2 -8 11964.5 813.857 1 -5 2 8 12767 1023.05 1 5 2 -8 11234.8 1374.29 3 5 -2 -8 13390.7 1544.99 3 -5 2 7 3404.67 498.398 1 5 2 -7 2826.11 665.609 3 5 2 -7 2860.56 344.215 1 5 -2 -7 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5 -2 12 1192.34 581.618 2 5 -2 13 5784.61 1360.2 2 5 2 13 5679.31 1332.11 2 5 2 14 3068.23 1085.4 2 5 -2 14 2080.4 846.298 2 5 2 15 -76.659 550.62 2 5 -2 15 -128.124 360.185 2 5 2 16 826.832 709.498 2 5 -2 16 500.385 409.145 2 5 2 17 1550.52 704.971 2 5 -2 17 1324.46 751.337 2 5 2 18 459.677 781.055 2 5 -2 18 306.811 752.75 2 5 2 19 -960.243 670.371 2 5 -2 19 -52.9953 197.435 2 5 -2 20 -366.507 439.975 2 5 2 20 0.65577 290.011 2 -5 -3 25 -1383.78 804.57 4 -5 -3 24 144.677 251.288 4 -5 3 20 548.005 160.149 2 -5 3 19 1909.2 708.78 2 -5 -3 19 1555.96 560.297 2 -5 3 18 988.333 516.037 2 -5 -3 18 975.265 465.65 2 -5 3 17 4040.89 938.93 2 5 3 -17 2996.12 719.744 3 -5 -3 17 4542.13 940.812 2 -5 3 16 10646.2 1424.67 2 -5 -3 16 12833 1565.33 2 5 3 -16 10848.6 1411.32 3 -5 3 15 1581.87 471.762 2 5 3 -15 1084.81 421.032 3 -5 -3 15 1362.32 548.169 2 -5 3 14 11460.8 1339.79 2 -5 -3 14 12811.3 1403.49 2 5 3 -14 11031.9 1470.91 3 -5 3 13 12887.5 1381.7 2 -5 -3 13 14718.6 1493.05 2 5 3 -13 12197.3 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5 -3 -3 60076.6 3242.74 3 -5 3 2 12884.5 1251.44 1 5 3 -2 11962.5 1061.3 1 5 3 -2 14511.1 1656.66 3 5 -3 -2 13697.6 1570.44 3 -5 3 1 30487.6 1949.01 1 5 -3 -1 26670.9 1800.28 2 5 3 -1 28035.4 1699.32 1 5 3 -1 30794.7 2366.42 3 5 -3 -1 29008.3 2264.28 3 5 -3 0 25500.1 1813.35 2 5 3 0 23800.6 1676.26 1 5 3 0 26052.2 2152.28 3 5 -3 0 24472.7 2042.32 3 5 -3 1 611.489 135.603 3 5 3 1 781.126 276.258 1 5 3 1 1307.35 583.3 3 5 -3 1 1019.74 396.682 2 5 -3 2 5584.22 980.773 3 5 -3 2 5879.4 972.082 2 5 3 2 6059.09 1083.48 3 5 3 2 6000.15 895.13 1 5 -3 3 2004.57 566.669 2 5 -3 3 2303.29 616.029 3 5 3 3 1705.58 519.002 3 5 3 4 86496.8 3918.78 2 5 -3 4 89525.6 4044.4 2 5 3 4 89335.4 4045.08 3 5 -3 4 96979.2 3923.9 3 5 -3 5 4091.29 772.098 3 5 3 5 3894.43 868.621 2 5 -3 5 3789.28 839.217 2 5 3 5 3290.32 688.894 3 5 -3 6 -26.5053 173.327 3 5 3 6 382.379 313.089 2 5 -3 6 -65.8433 178.295 2 5 3 6 -127.713 230.535 3 5 3 7 -342.08 381.74 2 5 3 7 147.716 183.854 3 5 -3 7 235.126 312.39 2 5 3 8 596.658 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1748.32 800.28 3 7 5 -10 -248.455 451.848 3 -7 5 10 203.447 260.191 1 7 5 -9 322.718 369.107 3 -7 5 9 781.047 314.513 1 7 5 -8 1432.19 415.793 1 -7 5 8 1385.74 316.214 1 7 5 -8 982.746 616.34 3 7 -5 -7 3717.96 1156.49 3 -7 5 7 2920.54 726.828 1 7 5 -7 2645.15 914.953 3 7 5 -7 3629.36 679.899 1 7 -5 -6 4558.62 1212.73 3 -7 5 6 5200.54 996.701 1 7 5 -6 4294.02 1084.96 3 7 5 -6 4260.95 745.413 1 7 -5 -5 -412.21 462.54 3 7 5 -5 250.589 202.984 1 7 5 -5 401.391 378.663 3 -7 5 5 -34.649 183.646 1 7 -5 -4 3494.8 1012.58 3 7 5 -4 2607.14 589.165 1 7 5 -4 3427.24 967.567 3 -7 5 4 3470.33 833.538 1 7 -5 -3 1144.1 638.359 3 7 5 -3 2017.28 813.678 3 7 5 -3 1598.9 495.291 1 -7 5 3 1965.08 600.058 1 7 -5 -2 11127.5 1743.62 3 -7 5 2 10833.2 1479.83 1 7 5 -2 10439.8 1295.29 1 7 5 -2 10007 1724.96 3 7 5 -1 20.4934 152.718 1 -7 5 1 192.025 266.924 1 7 5 -1 -135.283 306.889 3 7 5 0 1643.08 601.681 1 -7 5 0 1386.95 486.049 1 7 5 0 1278.45 620.035 3 7 -5 1 330.28 331.511 2 -7 5 -1 -140.124 135.534 1 7 5 1 -519.128 630.995 3 7 5 1 -475.526 351.85 1 7 -5 2 444.059 280.196 2 -7 5 -2 948.767 580.034 1 7 5 2 880.171 457.284 1 7 5 2 461.45 410.542 3 7 5 3 437.038 404.984 3 7 -5 3 235.452 225.053 2 7 5 4 549.519 321.909 2 7 5 4 -72.384 342.348 3 7 -5 4 174.132 241.904 2 7 5 5 1033.29 513.79 2 7 5 5 157.968 324.185 3 7 -5 5 353.739 186.261 2 7 5 6 2147.45 769.216 2 7 5 6 3603.76 989.396 3 7 -5 6 3403.3 1017.73 2 7 5 7 146.797 276.144 2 7 5 7 16.3889 166.322 3 7 -5 7 236.495 204.674 2 7 5 8 5018.67 1261.4 2 7 5 8 7565.28 1472.54 3 7 -5 8 5364.14 1275.87 2 7 5 9 2921.47 916.314 2 7 5 9 4255.44 1118.54 3 7 -5 9 3074.45 989.84 2 7 5 10 384.861 358.146 2 7 5 10 1028.2 560.952 3 7 -5 10 696.552 648.29 2 7 5 11 13.6357 161.286 2 7 -5 11 968.896 473.306 2 7 5 12 986.676 812.845 2 7 -5 12 -397.723 420.588 2 7 5 13 664.359 753.785 2 7 -5 13 492.721 535.798 2 7 5 14 3044.81 1235.63 2 7 -5 14 3009.03 1195.78 2 7 5 15 -1528.06 871.064 2 7 -5 15 276.195 729.418 2 7 5 16 -2107.22 1045.06 2 7 -5 16 190.961 398.843 2 -7 -6 23 0.58001 294.502 4 -7 -6 22 3.84487 226.831 4 -7 -6 21 910.325 796.145 4 7 6 -17 403.658 461.419 3 7 6 -16 -605.989 415.927 3 7 6 -15 551.035 408.965 3 -7 6 14 866.691 404.991 1 7 6 -14 1064.83 594.055 3 7 6 -13 603.543 309.454 3 -7 6 13 1409.24 607.571 1 -7 6 12 6787.85 1234.34 1 7 6 -12 4745.52 1201.99 3 -7 6 11 72.0958 324.722 1 7 6 -11 -660.858 583.573 3 7 6 -10 986.172 522.735 3 -7 6 10 2724.05 860.435 1 7 6 -9 -90.7916 360.098 3 -7 6 9 188.245 271.035 1 7 6 -8 375.059 293.038 1 -7 6 8 356.24 440.91 1 7 6 -8 54.5997 300.728 3 -7 6 7 -30.5076 401.35 1 7 6 -7 -13.0892 120.467 1 7 6 -7 169.904 240.146 3 -7 6 6 202.305 247.744 1 7 6 -6 567.326 264.289 3 7 6 -6 506.082 324.512 1 7 6 -5 933.614 501.789 3 7 6 -5 996.843 454.031 1 -7 6 5 1478.38 605.906 1 -7 6 4 12195.1 1657.83 1 7 6 -4 12869.1 1521.18 1 7 6 -4 12833.1 1989.71 3 7 6 -3 5625.56 1024.66 1 7 6 -3 4934.72 1198.71 3 -7 6 3 5477.29 1131.28 1 -7 6 2 12417.2 1736.3 1 7 6 -2 13111.2 1612.16 1 7 6 -2 12337.8 1950.22 3 -7 6 1 3973.69 1042.16 1 7 6 -1 3225.27 1029.14 3 7 6 -1 2657.41 739.399 1 7 6 0 440.468 144.689 1 -7 6 0 1116.91 592.517 1 7 6 0 596.464 345.734 3 -7 6 -1 3156.9 975.897 1 7 6 1 1954.03 742.031 3 7 6 1 2216.04 605.183 1 7 6 2 2341.53 793.389 1 -7 6 -2 2164.8 733.711 1 7 6 2 3327.71 940.939 3 7 -6 3 1675.28 573.445 2 -7 6 -3 2025.62 808.527 1 7 6 3 1605.46 652.323 3 7 6 3 2334.81 782.977 1 7 -6 4 -412.72 416.142 2 -7 6 -4 -46.3747 335.114 1 7 6 4 -32.6278 207.961 1 7 6 4 309.591 491.334 3 7 6 5 408.562 576.868 3 7 -6 5 -148.397 134.533 2 7 6 6 -336.098 362.728 2 7 6 6 -9.78624 281.708 3 7 -6 6 -317.757 391.849 2 7 6 7 689.273 699.82 2 7 6 7 334.53 436.866 3 7 -6 7 -122.889 284.516 2 7 6 8 1627.24 939.132 2 7 6 8 1572.18 637.02 3 7 -6 8 484.526 389.765 2 7 6 9 -99.0214 467.86 2 7 6 9 102.512 217.086 3 7 -6 9 -362.374 439.368 2 7 6 10 240.146 288.832 2 7 6 10 771.009 402.856 3 7 -6 10 914.695 721.483 2 7 6 11 155.334 443.492 2 7 -6 11 -2427.07 1013.79 2 7 6 12 1940.17 962.887 2 7 -6 12 2301.25 1019.4 2 7 6 13 -0.62028 194.278 2 7 -6 13 0.62769 386.845 2 7 6 14 719.235 600.411 2 7 -6 14 519.816 612.105 2 7 6 15 -603.725 575.884 2 7 -6 15 -0.67696 264.355 2 -7 -7 23 261.555 345.254 4 -7 -7 22 1025.57 639.729 4 -7 -7 21 0.51101 387.581 4 -7 -7 20 -952.069 587.324 4 -7 -7 19 546.311 461.672 4 -7 -7 18 1425.28 740.478 4 7 7 -17 615.77 445.373 3 7 7 -16 -388.505 393.72 3 -7 7 15 -136.584 385.412 1 7 7 -15 -186.079 440.778 3 7 7 -14 2729.99 931.287 3 -7 7 14 5809.15 1325.11 1 -7 7 13 2999.97 884.34 1 7 7 -13 1386.48 472.13 3 -7 7 12 13672.6 1906.4 1 7 7 -12 8568.62 1753.15 3 7 7 -11 866.714 582.307 3 -7 7 11 933.984 579.289 1 7 7 -10 420.855 300.844 3 -7 7 10 235.659 234.858 1 -7 7 9 2164 799.94 1 7 7 -9 1901.13 765.635 3 -7 7 8 361.119 316.21 1 7 7 -8 -395.193 331.986 3 -7 7 7 3346.61 957.099 1 7 7 -7 3083.71 811.071 1 7 7 -7 1943.67 796.708 3 -7 7 6 5475.07 1289.19 1 7 7 -6 3103.12 1026.73 3 7 7 -6 4339.87 956.925 1 -7 7 5 1146 676.163 1 7 7 -5 863.381 574.775 3 7 7 -5 1312.47 536.138 1 7 7 -4 352.828 486.42 3 -7 7 4 -185.672 289.291 1 7 7 -4 375.409 443.677 1 7 7 -3 -7.21985 133.967 1 7 7 -3 -22.7297 181.612 3 -7 7 3 -132.528 272.649 1 7 7 -2 -113.702 257.041 1 7 7 -2 -66.3273 305.594 3 -7 7 2 -259.473 431.938 1 7 7 -1 14.9424 332.986 1 7 7 -1 1000.75 708.072 3 -7 7 1 584.607 557.05 1 7 7 0 721.879 258.863 3 -7 7 0 -596.39 565.279 1 7 7 0 -233.43 348.201 1 7 7 1 1937.28 717.818 1 -7 7 -1 1947.95 824.102 1 7 7 1 563.509 393.42 3 7 7 2 -185.562 305.254 1 -7 7 -2 -7.30614 153.502 1 7 7 2 -832.599 717.184 3 -7 7 -3 2249.67 861.866 1 7 7 3 653.47 560.021 3 7 7 3 1043.45 574.115 1 -7 7 -4 7752.5 1583.04 1 7 7 4 6700.6 1386.31 1 7 7 4 8565.92 1758.18 3 7 -7 5 769.278 664.474 2 -7 7 -5 372.593 342.838 1 7 7 5 711.19 633.911 3 7 7 5 1157.24 614.588 1 7 -7 6 5881.79 1464.26 2 -7 7 -6 9447.8 1807.64 1 7 7 6 10165.8 1895.68 3 7 -7 7 455.43 494.527 2 -7 7 -7 401.183 205.492 1 7 7 7 314.89 265.735 3 7 -7 8 1789.39 877.229 2 7 7 8 2404.37 1016.46 2 7 7 8 4231.64 1202.85 3 7 7 9 477.371 514.003 2 7 -7 9 471.32 526.319 2 7 7 10 1149.93 673.954 2 7 -7 10 1437.98 909.087 2 7 7 11 1443.79 906.027 2 7 -7 11 1097.74 843.052 2 7 7 12 141.826 300.726 2 7 -7 12 2.51946 175.648 2 7 7 13 -495.697 503.728 2 7 -7 13 467.202 746.755 2 7 7 14 0.69682 343.043 2 7 -7 14 304.858 407.135 2 7 8 -17 160.681 406.051 3 7 8 -16 -1039.08 640.657 3 7 8 -15 590.643 544.892 3 -7 8 14 -494.42 482.464 1 7 8 -14 -0.52595 132.99 3 -7 8 13 437.81 373.963 1 7 8 -13 276.787 317.01 3 -7 8 12 -285.025 401.505 1 7 8 -12 -661.255 518.914 3 7 8 -11 -38.6804 401.734 3 -7 8 11 173.952 487.541 1 7 8 -10 1108.98 709.21 3 -7 8 10 2137.5 834.189 1 -7 8 9 319.289 280.815 1 7 8 -9 -382.519 471.617 3 -7 8 8 -199.956 406.232 1 7 8 -8 645.523 490.426 3 -7 8 7 -891.244 742.233 1 7 8 -7 305.826 382.54 3 -7 8 6 528.991 385.498 1 7 8 -6 854.734 445.133 3 7 8 -6 998.136 537.455 1 -7 8 5 5405.76 1283.21 1 7 8 -5 4202.33 1261.55 3 7 8 -5 4835.33 1105.22 1 7 8 -4 1305.52 679.026 3 7 8 -4 686.675 446.193 1 -7 8 4 1035.43 597.568 1 7 8 -3 -42.6781 220.495 1 7 8 -3 -332.886 432.452 3 -7 8 3 -152.016 164.219 1 7 8 -2 435.384 339.868 1 7 8 -2 1860.49 946.113 3 -7 8 2 1088.42 483 1 7 8 -1 443.359 341.512 1 7 8 -1 1123.66 717.969 3 -7 8 1 1289.39 695.626 1 7 8 0 729.143 429.553 1 7 8 0 542.978 566.692 3 -7 8 0 -209.579 150.212 1 7 8 1 -107.554 208.416 3 -7 8 -1 186.249 226.941 1 7 8 2 387.083 435.946 1 7 8 2 63.5918 284.534 3 7 8 3 2426.79 830.717 1 -7 8 -3 3404.54 1097.53 1 7 8 3 4442.6 1378.47 3 -7 8 -4 954.857 499.445 1 7 8 4 1780.22 812.828 3 7 8 4 1158.05 728.755 1 -7 8 -5 421.906 453.819 1 7 8 5 104.961 413.233 1 7 8 5 -47.281 540.737 3 7 8 6 1785.09 873.94 1 -7 8 -6 5287.47 1476.95 1 7 8 6 5140.8 1324.35 3 -7 8 -7 113.885 168.418 1 7 8 7 630.217 433.387 3 7 8 7 688.729 529.341 1 7 -8 8 1260.88 610.49 2 -7 8 -8 2523.46 1042.82 1 7 8 8 1775.23 834.331 3 7 -8 9 455.471 535.121 2 7 8 9 1092.26 699.045 2 -7 8 -9 2369.01 1000.23 1 7 8 9 1558.97 842.711 3 7 -8 10 2.50818 297.403 2 7 8 10 461.412 629.654 2 -7 8 -10 465.993 733.529 1 7 8 10 -554.678 549.798 3 7 -8 11 0.65187 349.734 2 7 8 11 102.228 517.297 2 -7 8 -11 321.076 347.138 1 7 -8 12 245.47 482.308 2 7 8 12 53.9817 427.688 2 7 9 -16 -73.9846 194.2 3 7 9 -15 -2085.38 938.744 3 -7 9 14 729.468 656.779 1 7 9 -14 0.57948 229.298 3 -7 9 13 558.101 559.583 1 7 9 -13 134.253 356.361 3 -7 9 12 1149.36 610.586 1 7 9 -12 940.014 635.918 3 7 9 -11 -982.13 648.759 3 -7 9 11 178.133 170.305 1 7 9 -10 538.004 533.077 3 -7 9 10 2080.08 890.656 1 -7 9 9 1005.52 677.511 1 7 9 -9 1646.97 791.629 3 -7 9 8 315.047 453.378 1 7 9 -8 173.098 240.652 3 -7 9 7 2315.47 903.44 1 7 9 -7 1909.87 905.968 3 -7 9 6 -14.3751 294.916 1 7 9 -6 -167.531 508.252 3 -7 9 5 433.248 648.413 1 7 9 -5 -94.4002 456.547 3 7 9 -5 229.073 283.965 1 -7 9 4 778.23 663.836 1 7 9 -4 713.778 641.927 3 7 9 -4 423.493 324.727 1 7 9 -3 421.969 360.65 1 7 9 -3 -141.371 464.97 3 -7 9 3 487.76 621.701 1 7 9 -2 643.468 370.347 1 -7 9 2 146.446 422.028 1 7 9 -1 -361.058 368.775 1 7 9 -1 121.45 279.466 3 -7 9 1 66.5221 351.657 1 7 9 0 296.964 526.405 1 7 9 0 -241.338 208.63 3 -7 9 0 917.576 697.771 1 7 9 1 -205.843 363.173 3 -7 9 -1 -532.272 471.631 1 7 9 1 -651.138 495.319 1 7 9 2 -268.548 609.162 3 -7 9 -2 579.208 473.419 1 7 9 2 465.74 430.372 1 7 9 3 -260.893 343.826 1 7 9 3 875.102 610.938 3 -7 9 -3 508.54 602.88 1 -7 9 -4 1546.3 835.787 1 7 9 4 1039.53 738.54 1 7 9 4 2073.93 878.234 3 7 9 5 1350.99 732.808 1 -7 9 -5 2786.25 1054.92 1 7 9 5 3907.44 1325.77 3 -7 9 -6 1913.53 990.443 1 7 9 6 963.114 694.81 3 7 9 6 599.883 688.423 1 -7 9 -7 272.078 625.789 1 7 9 7 0.58824 133.318 1 7 9 7 313.528 222.857 3 7 9 8 126.76 438.18 1 -7 9 -8 -281.398 392.708 1 7 9 8 111.569 178.083 3 -7 9 -9 544.977 405.824 1 7 9 9 438.625 508.454 3 7 9 10 877.085 822.651 2 -7 9 -10 2064.34 996.008 1 7 9 10 1768.83 886.577 3 7 10 -16 -963.342 666.602 3 7 10 -15 -0.6327 460.612 3 -7 10 14 197.685 412.841 1 7 10 -14 369.428 424.728 3 -7 10 13 747.452 711.154 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498.51 3 -7 10 -3 338.851 441.039 1 7 10 4 221.855 615.725 1 7 10 4 -335.452 419.518 3 -7 10 -4 94.596 251.126 1 7 10 5 -167.471 314.471 3 -7 10 -5 574.885 540.389 1 7 10 5 86.9741 624.434 1 7 10 6 417.235 659.006 1 -7 10 -6 1311.15 713.288 1 7 10 6 613.019 639.82 3 -7 10 -7 -245.401 379.982 1 7 10 7 353.673 600.903 3 7 10 7 0.66288 235.255 1 7 10 8 -1648.31 907.254 1 7 10 8 -240.996 359.701 3 7 10 9 411.975 615.27 3 7 10 10 57.4861 424.45 3 -7 11 13 -167.35 366.943 1 -7 11 12 -409.705 456.179 1 7 11 -11 -1297.39 817.237 3 -7 11 11 -32.0405 175.526 1 7 11 -10 -491.561 512.495 3 -7 11 10 1.29604 222.603 1 -7 11 9 413.68 486.817 1 7 11 -9 0.70047 571.313 3 -7 11 8 70.4591 232.261 1 7 11 -8 -768.41 632.055 3 -7 11 7 677.174 774.259 1 7 11 -7 -650.882 591.348 3 -7 11 6 -80.0661 247.718 1 7 11 -6 1882.41 1122.7 3 -7 11 5 32.2691 322.883 1 7 11 -5 194.731 239.212 3 -7 11 4 1888.93 990.959 1 7 11 -4 0.69206 649.656 3 -7 11 3 -98.1983 338.902 1 7 11 -3 1031.46 522.581 3 -7 11 2 2.01394 143.47 1 7 11 -2 -47.9951 187.606 1 7 11 -1 38.5465 525.506 1 7 11 -1 182.837 535.519 3 -7 11 1 481.11 623.476 1 7 11 0 -406.487 437.273 1 7 11 0 -1399.42 850.357 3 -7 11 0 609.189 634.957 1 7 11 1 555.638 668.356 3 7 11 1 1.23714 449.575 1 -7 11 -1 -4.74632 160.229 1 7 11 2 155.632 456.036 3 -7 11 -2 340.291 540.871 1 7 11 2 -0.62807 485.9 1 7 11 3 -456.54 472.569 1 -7 11 -3 -1105.96 756.436 1 7 11 4 2.02052 358.007 1 -7 11 -4 -666.984 601.16 1 7 11 5 1654.96 919.535 1 7 11 6 0.72273 457.453 1 -7 12 6 -1441.94 887.768 1 -7 12 5 287.334 469.136 1 7 12 1 1143.49 765.744 1 7 12 2 -1316.73 827.508 1 8 0 -19 -488.676 452.294 3 8 0 -18 68.8409 457.763 3 8 0 -17 -434.276 546.101 3 8 0 -16 2991.2 891.724 3 8 0 -15 120.188 196.261 3 8 0 -14 3075.81 900.283 3 8 0 -13 626.029 429.935 3 8 0 -12 1283.41 555.767 3 8 0 -11 64.5384 213.393 3 8 0 -10 3129.41 930.495 3 8 0 -9 212.567 199.093 3 8 0 -8 749.696 590.911 3 8 0 -7 -771.506 546.754 3 8 0 -6 1283.45 549.755 3 8 0 -5 464.803 721.517 3 8 0 -4 131989 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1376.15 1064.22 3 12 -4 -14 81.9362 476.882 3 12 4 -14 498.321 663.026 3 12 -4 -13 -827.86 655.642 3 12 4 -13 419.976 630.632 3 12 -4 -12 54.0043 319.912 3 12 4 -12 -235.088 369.389 3 12 -4 -11 106.578 138.696 3 12 4 -11 607.954 598.067 3 12 -4 -10 1735.81 932.646 3 12 4 -10 347.885 506.464 3 12 -4 -9 2308.46 1022.1 3 12 4 -9 2071.74 902.317 3 12 -4 -8 615.559 519.904 3 12 4 -8 -899.477 669.144 3 12 -4 -7 419.824 514.779 3 12 4 -7 197.151 212.802 3 12 -4 -6 680.898 441.489 3 12 4 -6 24.1917 594.195 3 12 -4 -5 437.745 537.729 3 12 4 -5 919.033 482.486 3 12 -4 -4 -85.3349 458.661 3 12 4 -4 902.829 785.375 3 12 -4 -3 -1138.15 721.1 3 12 4 -3 -1937.13 948.277 3 12 -4 -2 892.369 733.012 3 12 4 -2 416.825 453.664 3 12 -4 -1 491.933 482.353 3 12 4 -1 122.053 294.657 3 12 -4 0 367.628 443.412 3 12 4 0 -466.474 473.234 3 12 -4 1 59.8382 259.309 3 12 4 1 150.758 281.137 3 12 -4 2 254.166 348.853 3 12 4 2 -1246.06 788.282 3 12 -4 3 1309.07 791.706 3 12 4 3 1.85233 371.385 3 12 -4 4 1019.51 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322.459 3 13 -1 1 -322.101 399.072 3 13 1 2 301.306 468.734 3 13 -1 2 23.6888 207.008 3 13 1 3 0.59196 188.985 3 13 -1 3 22.2252 225.615 3 13 1 4 845.546 759.458 3 13 -1 4 384.039 498.645 3 13 2 -15 -1227.46 792.763 3 13 2 -14 -1959 995.183 3 13 -2 -14 72.2838 315.429 3 13 2 -13 795.073 718.498 3 13 -2 -13 717.763 590.118 3 13 2 -12 1103.43 835.391 3 13 -2 -12 44.2964 546.228 3 13 2 -11 116.145 459.91 3 13 -2 -11 455.627 483.768 3 13 2 -10 -2403.48 1099.71 3 13 -2 -10 -1139 999.079 3 13 2 -9 172.082 335.5 3 13 -2 -9 608.565 516.814 3 13 2 -8 90.6308 247.177 3 13 -2 -8 -985.568 709.108 3 13 2 -7 1467.43 878.886 3 13 -2 -7 1585.37 874.179 3 13 2 -6 990.902 790.513 3 13 -2 -6 891.909 853.116 3 13 2 -5 -568.168 482.026 3 13 -2 -5 837.729 930.05 3 13 2 -4 0.66817 420.229 3 13 -2 -4 738.853 786.106 3 13 2 -3 527.995 698.911 3 13 -2 -3 1006.65 798.72 3 13 2 -2 506.418 694.568 3 13 -2 -2 220.987 375.73 3 13 2 -1 -0.65644 298.041 3 13 -2 -1 -118.096 273.058 3 13 2 0 523.334 697.361 3 13 -2 0 -564.596 521.724 3 13 2 1 0.63512 200.852 3 13 -2 1 -231.519 338.35 3 13 2 2 -774.846 602.786 3 13 -2 2 224.126 625.117 3 13 2 3 409.759 569.09 3 13 -2 3 160.127 183.367 3 13 2 4 92.7251 178.238 3 13 -2 4 -91.8166 167.818 3 13 3 -13 2537.71 1250.54 3 13 3 -12 -298.846 429.799 3 13 -3 -12 -136.494 308.203 3 13 3 -11 268.73 379.625 3 13 -3 -11 -1114.74 881.335 3 13 3 -10 -1628.09 925.15 3 13 -3 -10 191.598 550.024 3 13 3 -9 -1594.04 912.158 3 13 -3 -9 121.494 404.857 3 13 3 -8 703.148 385.823 3 13 -3 -8 -1719.86 935.858 3 13 3 -7 3300.84 1370.95 3 13 -3 -7 2188.26 1125.58 3 13 3 -6 -849.108 620.065 3 13 -3 -6 -216.237 375.122 3 13 3 -5 701.922 501.799 3 13 -3 -5 1463.97 967.663 3 13 3 -4 611.413 834.55 3 13 -3 -4 -1376.54 821.99 3 13 3 -3 0.67354 174.071 3 13 -3 -3 -575.031 530.369 3 13 3 -2 556.869 451.757 3 13 -3 -2 762.952 558.434 3 13 3 -1 152.686 538.819 3 13 -3 -1 195.134 323.406 3 13 3 0 97.0649 218.727 3 13 -3 0 66.784 232.222 3 13 3 1 531.674 602.196 3 13 -3 1 183.986 480.026 3 13 3 2 -915.398 671.001 3 13 -3 2 -298.002 382.4 3 13 -3 3 -428.186 446.992 3 13 3 3 -1129.59 745.435 3 13 3 4 -539.384 516.924 3 13 3 5 13.7111 143.603 3 13 -4 -9 -485.896 662.734 3 13 4 -9 -623.315 612.432 3 13 -4 -8 0.69859 283.86 3 13 4 -8 -2219.13 1082.44 3 13 -4 -7 1566.79 1058.62 3 13 4 -7 609.652 709.097 3 13 -4 -6 263.35 430.002 3 13 4 -6 870.044 714.842 3 13 -4 -5 1507.56 1009.96 3 13 4 -5 311.33 569.919 3 13 -4 -4 188.318 365.816 3 13 4 -4 -121.687 281.872 3 13 -4 -3 1118.72 740.441 3 13 4 -3 312.724 620.088 3 13 -4 -2 -169.675 324.051 3 13 4 -2 -1768.66 959.095 3 13 -4 -1 1.31258 178.367 3 13 4 -1 298.866 652.115 3 13 -4 0 520.372 698.557 3 13 4 0 807.141 800.788 3 13 -4 1 1072.26 896.155 3 13 4 1 -397.255 465.497 3 13 -4 2 41.6898 189.278 3 13 4 2 -707.642 598.363 3 13 -4 3 73.0038 515.281 3 13 4 3 450.643 486.001 3 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 H1 O1 C16 107(2) . . ? C14 N1 C8 126.2(2) . . ? C1 N1 C8 115.2(2) . . ? C1 N1 C14 118.4(2) . . ? C7 N2 C8 117.7(2) . . ? H2 N2 C8 112(2) . . ? H2 N2 C7 115(2) . . ? N2 C8 N1 104.6(2) . . ? C9 C8 N1 108.2(2) . . ? C9 C8 N2 112.2(2) . . ? C13 C8 N1 112.0(2) . . ? C13 C8 N2 106.9(2) . . ? C13 C8 C9 112.7(2) . . ? C10 C9 C8 112.8(2) . . ? H9a C9 C8 109.04(13) . . ? H9a C9 C10 109.04(14) . . ? H9b C9 C8 109.04(13) . . ? H9b C9 C10 109.04(15) . . ? H9b C9 H9a 107.8 . . ? C1 C2 C7 121.1(3) . . ? C3 C2 C7 118.9(3) . . ? C3 C2 C1 119.9(3) . . ? C11 C12 C13 114.3(2) . . ? H12a C12 C13 108.69(14) . . ? H12a C12 C11 108.69(15) . . ? H12b C12 C13 108.69(16) . . ? H12b C12 C11 108.69(16) . . ? H12b C12 H12a 107.6 . . ? O2 C14 N1 121.3(3) . . ? C15 C14 N1 119.1(2) . . ? C15 C14 O2 119.6(3) . . ? C2 C7 N2 119.7(2) . . ? C6 C7 N2 120.8(3) . . ? C6 C7 C2 119.4(3) . . ? C12 C13 C8 110.2(2) . . ? C16 C13 C8 111.3(2) . . ? C16 C13 C12 117.4(2) . . ? H13 C13 C8 106.9(15) . . ? H13 C13 C12 105.9(15) . . ? H13 C13 C16 104.2(16) . . ? C16 C15 C14 113.0(2) . . ? H15a C15 C14 108.99(14) . . ? H15a C15 C16 108.99(15) . . ? H15b C15 C14 108.99(16) . . ? H15b C15 C16 108.99(16) . . ? H15b C15 H15a 107.8 . . ? C11 C10 C9 110.9(2) . . ? H10a C10 C9 109.47(15) . . ? H10a C10 C11 109.47(16) . . ? H10b C10 C9 109.47(15) . . ? H10b C10 C11 109.47(16) . . ? H10b C10 H10a 108.1 . . ? C5 C6 C7 120.0(3) . . ? H6 C6 C7 119.98(18) . . ? H6 C6 C5 120.0(2) . . ? C10 C11 C12 109.3(2) . . ? H11a C11 C12 109.83(16) . . ? H11a C11 C10 109.83(17) . . ? H11b C11 C12 109.83(14) . . ? H11b C11 C10 109.83(14) . . ? H11b C11 H11a 108.3 . . ? C2 C1 N1 111.9(2) . . ? H1a C1 N1 105.5(18) . . ? H1a C1 C2 112.4(18) . . ? H1b C1 N1 110.5(15) . . ? H1b C1 C2 110.5(16) . . ? H1b C1 H1a 106(2) . . ? C4 C3 C2 121.4(3) . . ? H3 C3 C2 119.28(18) . . ? H3 C3 C4 119.3(2) . . ? C13 C16 O1 110.8(2) . . ? C15 C16 O1 110.6(2) . . ? C15 C16 C13 107.2(2) . . ? C17 C16 O1 107.3(2) . . ? C17 C16 C13 112.4(2) . . ? C17 C16 C15 108.6(3) . . ? C5 C4 C3 119.2(3) . . ? H4 C4 C3 120.4(2) . . ? H4 C4 C5 120.4(2) . . ? C4 C5 C6 120.9(3) . . ? H5 C5 C6 119.5(2) . . ? H5 C5 C4 119.5(2) . . ? C3s C2s N1s 179.2(4) . . ? H3sa C3s C2s 109.5 . . ? H3sb C3s C2s 109.5 . . ? H3sb C3s H3sa 109.5 . . ? H3sc C3s C2s 109.5 . . ? H3sc C3s H3sa 109.5 . . ? H3sc C3s H3sb 109.5 . . ? F2 C17 F1 105.9(3) . . ? F3 C17 F1 106.0(3) . . ? F3 C17 F2 105.2(3) . . ? C16 C17 F1 112.7(3) . . ? C16 C17 F2 114.5(3) . . ? C16 C17 F3 111.8(3) . . ? loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag O1 C16 1.414(3) . ? O1 H1 0.96(3) . ? N1 C8 1.483(3) . ? N1 C14 1.331(3) . ? N1 C1 1.462(4) . ? N2 C8 1.466(3) . ? N2 C7 1.390(3) . ? N2 H2 0.84(3) . ? O2 C14 1.233(3) . ? F1 C17 1.340(4) . ? F2 C17 1.329(4) . ? F3 C17 1.331(3) . ? C8 C9 1.525(4) . ? C8 C13 1.543(4) . ? C9 C10 1.516(3) . ? C9 H9a 0.9700 . ? C9 H9b 0.9700 . ? C2 C7 1.381(4) . ? C2 C1 1.491(4) . ? C2 C3 1.390(4) . ? C12 C13 1.531(4) . ? C12 C11 1.516(4) . ? C12 H12a 0.9700 . ? C12 H12b 0.9700 . ? C14 C15 1.492(4) . ? C7 C6 1.391(4) . ? C13 C16 1.533(4) . ? C13 H13 0.97(3) . ? C15 C16 1.509(4) . ? C15 H15a 0.9700 . ? C15 H15b 0.9700 . ? C10 C11 1.507(4) . ? C10 H10a 0.9700 . ? C10 H10b 0.9700 . ? C6 C5 1.368(4) . ? C6 H6 0.9300 . ? C11 H11a 0.9700 . ? C11 H11b 0.9700 . ? C1 H1a 0.96(3) . ? C1 H1b 1.05(3) . ? C3 C4 1.361(4) . ? C3 H3 0.9300 . ? C16 C17 1.513(4) . ? C4 C5 1.370(5) . ? C4 H4 0.9300 . ? C5 H5 0.9300 . ? C2s N1s 1.113(4) . ? C2s C3s 1.431(5) . ? C3s H3sa 0.9600 . ? C3s H3sb 0.9600 . ? C3s H3sc 0.9600 . ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag O1 C16 C13 C8 -59.4(2) . . . . ? O1 C16 C13 C12 68.9(2) . . . . ? O1 C16 C15 C14 64.7(2) . . . . ? O1 C16 C17 F1 -170.0(2) . . . . ? O1 C16 C17 F2 -48.9(2) . . . . ? O1 C16 C17 F3 70.7(2) . . . . ? N1 C8 N2 C7 53.1(2) . . . . ? N1 C8 C9 C10 175.8(2) . . . . ? N1 C8 C13 C12 -170.0(2) . . . . ? N1 C8 C13 C16 -37.9(2) . . . . ? N1 C14 C15 C16 28.7(3) . . . . ? N1 C1 C2 C7 -8.1(3) . . . . ? N1 C1 C2 C3 170.6(2) . . . . ? N2 C8 C9 C10 -69.4(2) . . . . ? N2 C8 C13 C12 76.0(2) . . . . ? N2 C8 C13 C16 -151.9(2) . . . . ? N2 C7 C2 C1 0.6(3) . . . . ? N2 C7 C2 C3 -178.1(3) . . . . ? N2 C7 C6 C5 176.4(3) . . . . ? O2 C14 C15 C16 -151.9(3) . . . . ? F1 C17 C16 C13 -48.0(3) . . . . ? F1 C17 C16 C15 70.5(3) . . . . ? F2 C17 C16 C13 73.1(3) . . . . ? F2 C17 C16 C15 -168.4(3) . . . . ? F3 C17 C16 C13 -167.3(3) . . . . ? F3 C17 C16 C15 -48.8(3) . . . . ? C8 C9 C10 C11 -56.6(2) . . . . ? C8 C13 C12 C11 52.0(2) . . . . ? C8 C13 C16 C15 61.3(2) . . . . ? C8 C13 C16 C17 -179.4(3) . . . . ? C9 C10 C11 C12 58.2(3) . . . . ? C2 C7 C6 C5 0.1(3) . . . . ? C2 C3 C4 C5 -0.4(4) . . . . ? C12 C13 C16 C15 -170.4(3) . . . . ? C12 C13 C16 C17 -51.1(3) . . . . ? C14 C15 C16 C13 -56.1(3) . . . . ? C14 C15 C16 C17 -177.8(3) . . . . ? C7 C6 C5 C4 1.5(4) . . . . ? C6 C5 C4 C3 -1.4(4) . . . . ?