#------------------------------------------------------------------------------ #$Date: 2021-07-05 20:04:17 +0300 (Mon, 05 Jul 2021) $ #$Revision: 267100 $ #$URL: file:///home/coder/svn-repositories/cod/cif/7/24/28/7242834.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_7242834 loop_ _publ_author_name 'Vulpe, Elena' 'Grosjean, Sylvain' 'Hassan, Zahid' 'Bulach, V\'eronique' 'Hosseini, Mir Wais' 'Br\"ase, Stefan' _publ_section_title ; Halogen-bonded one-dimensional chains of functionalized ditopic bipyridines co-crystallized with mono-, di-, and triiodofluorobenzenes ; _journal_issue 24 _journal_name_full CrystEngComm _journal_page_first 4247 _journal_page_last 4251 _journal_paper_doi 10.1039/D1CE00494H _journal_volume 23 _journal_year 2021 _chemical_formula_moiety 'C22 H16 N4, C6 F4 I2' _chemical_formula_sum 'C28 H16 F4 I2 N4' _chemical_formula_weight 738.25 _space_group_crystal_system monoclinic _space_group_IT_number 14 _space_group_name_Hall '-P 2yn' _space_group_name_H-M_alt 'P 1 21/n 1' _atom_sites_solution_hydrogens geom _audit_creation_method SHELXL-2014/6 _audit_update_record ; 2021-04-12 deposited with the CCDC. 2021-05-13 downloaded from the CCDC. ; _cell_angle_alpha 90 _cell_angle_beta 115.9150(10) _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 12.3957(5) _cell_length_b 17.8774(6) _cell_length_c 13.0708(5) _cell_measurement_reflns_used 25000 _cell_measurement_temperature 173(2) _cell_measurement_theta_max 25. _cell_measurement_theta_min 2.5 _cell_volume 2605.26(17) _computing_cell_refinement 'Bruker SAINT' _computing_data_collection 'Bruker APEX2' _computing_data_reduction 'Bruker SAINT' _computing_molecular_graphics 'Bruker SHELXTL' _computing_publication_material 'Bruker SHELXTL' _computing_structure_refinement 'SHELXL-2014/6 (Sheldrick, 2014)' _computing_structure_solution 'SHELXS-97 (Sheldrick, 2008)' _diffrn_ambient_temperature 173(2) _diffrn_measured_fraction_theta_full 0.996 _diffrn_measured_fraction_theta_max 0.975 _diffrn_measurement_device_type 'Bruker APEX-II CCD' _diffrn_measurement_method '\f and \w scans' _diffrn_radiation_monochromator graphite _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0261 _diffrn_reflns_av_unetI/netI 0.0259 _diffrn_reflns_Laue_measured_fraction_full 0.996 _diffrn_reflns_Laue_measured_fraction_max 0.975 _diffrn_reflns_limit_h_max 17 _diffrn_reflns_limit_h_min -17 _diffrn_reflns_limit_k_max 21 _diffrn_reflns_limit_k_min -23 _diffrn_reflns_limit_l_max 18 _diffrn_reflns_limit_l_min -18 _diffrn_reflns_number 25438 _diffrn_reflns_point_group_measured_fraction_full 0.996 _diffrn_reflns_point_group_measured_fraction_max 0.975 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 30.083 _diffrn_reflns_theta_min 1.890 _exptl_absorpt_coefficient_mu 2.468 _exptl_absorpt_correction_T_max 0.870 _exptl_absorpt_correction_T_min 0.840 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details sadabs _exptl_crystal_colour purple _exptl_crystal_density_diffrn 1.882 _exptl_crystal_density_meas ? _exptl_crystal_description prism _exptl_crystal_F_000 1416 _exptl_crystal_size_max 0.070 _exptl_crystal_size_mid 0.060 _exptl_crystal_size_min 0.060 _refine_diff_density_max 2.703 _refine_diff_density_min -0.498 _refine_diff_density_rms 0.109 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.023 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 343 _refine_ls_number_reflns 7479 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.023 _refine_ls_R_factor_all 0.0430 _refine_ls_R_factor_gt 0.0335 _refine_ls_shift/su_max 0.002 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0478P)^2^+2.8941P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0843 _refine_ls_wR_factor_ref 0.0908 _reflns_Friedel_coverage 0.000 _reflns_number_gt 6262 _reflns_number_total 7479 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file d1ce00494h2.cif _cod_data_source_block e3586a_a _cod_depositor_comments ; The following automatic conversions were performed: data item '_exptl_crystal_density_meas' value 'none' was changed to '?' -- the value is perceived as not measured. Automatic conversion script Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas Adding full bibliography for 7242828--7242834.cif. ; _cod_original_sg_symbol_H-M 'P 21/n' _cod_database_code 7242834 _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; _shelx_estimated_absorpt_t_min 0.846 _shelx_estimated_absorpt_t_max 0.866 _shelxl_version_number 2014/6 _shelx_res_file ; TITL e3586a_a.res in P2(1)/n CELL 0.71073 12.3957 17.8774 13.0708 90.000 115.915 90.000 ZERR 4.000 0.0005 0.0006 0.0005 0.000 0.001 0.000 LATT 1 SYMM 1/2-X, 1/2+Y, 1/2-Z SFAC C H N F I UNIT 112 64 16 16 8 L.S. 10 ACTA BOND $H FMAP 2 PLAN 20 SIZE 0.06 0.06 0.07 TEMP -100 WGHT 0.047800 2.894100 FVAR 0.21247 C1 1 0.156488 0.411819 0.035344 11.00000 0.02315 0.02387 = 0.01987 0.00075 0.00770 0.00358 C2 1 0.197912 0.433532 -0.043746 11.00000 0.02421 0.02943 = 0.02497 0.00010 0.00968 -0.00026 AFIX 43 H2 2 0.281203 0.441087 -0.020549 11.00000 -1.20000 AFIX 0 C3 1 0.117421 0.443902 -0.155356 11.00000 0.03585 0.02998 = 0.02141 0.00199 0.01334 0.00160 AFIX 43 H3 2 0.147766 0.458306 -0.207775 11.00000 -1.20000 AFIX 0 N1 3 -0.001354 0.434928 -0.194781 11.00000 0.03077 0.03531 = 0.02038 0.00204 0.00816 0.00339 C4 1 -0.041670 0.414225 -0.119642 11.00000 0.02442 0.04220 = 0.02377 0.00483 0.00729 0.00233 AFIX 43 H4 2 -0.125452 0.406819 -0.145844 11.00000 -1.20000 AFIX 0 C5 1 0.032839 0.402968 -0.004990 11.00000 0.02603 0.03506 = 0.02431 0.00463 0.01086 0.00206 AFIX 43 H5 2 -0.000213 0.389323 0.045649 11.00000 -1.20000 AFIX 0 C6 1 0.239414 0.397240 0.155979 11.00000 0.02284 0.02607 = 0.02106 0.00110 0.00874 0.00172 C7 1 0.349186 0.362680 0.184225 11.00000 0.02340 0.02960 = 0.02042 -0.00116 0.00925 0.00188 AFIX 43 H7 2 0.370873 0.349059 0.125439 11.00000 -1.20000 AFIX 0 C8 1 0.428305 0.347546 0.297208 11.00000 0.02267 0.02565 = 0.01987 -0.00004 0.00827 0.00228 C9 1 0.400528 0.370241 0.386083 11.00000 0.02685 0.02710 = 0.01915 0.00010 0.00988 0.00178 C10 1 0.289449 0.403948 0.356358 11.00000 0.03164 0.03982 = 0.02104 0.00019 0.01412 0.00766 AFIX 43 H10 2 0.268000 0.418471 0.414946 11.00000 -1.20000 AFIX 0 C11 1 0.209135 0.416984 0.243886 11.00000 0.02413 0.03562 = 0.02410 0.00175 0.01103 0.00633 AFIX 43 H11 2 0.133567 0.439317 0.226516 11.00000 -1.20000 AFIX 0 C12 1 0.484315 0.362384 0.508510 11.00000 0.02458 0.02853 = 0.01798 0.00110 0.00920 0.00128 C13 1 0.551013 0.298150 0.556430 11.00000 0.03794 0.03121 = 0.02439 -0.00108 0.01149 0.00540 AFIX 43 H13 2 0.546270 0.256139 0.510141 11.00000 -1.20000 AFIX 0 C14 1 0.624131 0.296272 0.672059 11.00000 0.03628 0.03990 = 0.02511 0.00347 0.00967 0.00972 AFIX 43 H14 2 0.668145 0.251766 0.703247 11.00000 -1.20000 AFIX 0 N2 3 0.636747 0.352975 0.742513 11.00000 0.03340 0.04432 = 0.01879 -0.00057 0.00762 0.00082 C15 1 0.574048 0.414568 0.696933 11.00000 0.03850 0.03499 = 0.01984 -0.00318 0.01149 -0.00081 AFIX 43 H15 2 0.582437 0.455979 0.745390 11.00000 -1.20000 AFIX 0 C16 1 0.497341 0.421423 0.582738 11.00000 0.03771 0.02909 = 0.02195 0.00053 0.01483 0.00427 AFIX 43 H16 2 0.453413 0.466388 0.554722 11.00000 -1.20000 AFIX 0 N3 3 0.541403 0.312074 0.327657 11.00000 0.02435 0.03144 = 0.01921 -0.00083 0.00912 0.00245 N4 3 0.546264 0.276296 0.247680 11.00000 0.02511 0.03011 = 0.02170 -0.00065 0.00810 0.00285 C17 1 0.657949 0.240301 0.274892 11.00000 0.02273 0.02479 = 0.02710 0.00039 0.01153 0.00111 C18 1 0.754513 0.239254 0.382884 11.00000 0.02560 0.02744 = 0.02687 0.00106 0.00899 -0.00165 AFIX 43 H18 2 0.749317 0.264208 0.444746 11.00000 -1.20000 AFIX 0 C19 1 0.858192 0.201240 0.398569 11.00000 0.02432 0.03912 = 0.03715 0.00503 0.00938 0.00148 AFIX 43 H19 2 0.924722 0.200122 0.471528 11.00000 -1.20000 AFIX 0 C20 1 0.864702 0.164572 0.306921 11.00000 0.02720 0.04911 = 0.05089 0.00518 0.02080 0.01109 AFIX 43 H20 2 0.935735 0.138358 0.318313 11.00000 -1.20000 AFIX 0 C21 1 0.769948 0.165963 0.200896 11.00000 0.04036 0.04565 = 0.04594 -0.00842 0.02608 0.00631 AFIX 43 H21 2 0.775768 0.141228 0.139173 11.00000 -1.20000 AFIX 0 C22 1 0.664627 0.203865 0.183684 11.00000 0.03121 0.03505 = 0.02970 -0.00276 0.01306 0.00344 AFIX 43 H22 2 0.598369 0.204731 0.110539 11.00000 -1.20000 AFIX 0 C23 1 0.764015 0.383193 0.153855 11.00000 0.02698 0.03449 = 0.01932 0.00108 0.00988 -0.00312 I1 5 0.713532 0.359216 -0.017737 11.00000 0.02785 0.04771 = 0.01864 -0.00242 0.00837 -0.00575 C24 1 0.877044 0.365398 0.235950 11.00000 0.02480 0.03654 = 0.02248 0.00008 0.01174 -0.00030 F1 4 0.955222 0.329470 0.206797 11.00000 0.03085 0.05744 = 0.02761 -0.00025 0.01665 0.00846 C25 1 0.912288 0.382214 0.348903 11.00000 0.02375 0.03472 = 0.01892 0.00342 0.00688 0.00031 F2 4 1.022813 0.361077 0.424430 11.00000 0.02822 0.05644 = 0.02251 0.00440 0.00625 0.01095 C26 1 0.837240 0.417447 0.386319 11.00000 0.03367 0.02756 = 0.01920 -0.00001 0.01175 -0.00116 I2 5 0.887773 0.432157 0.559629 11.00000 0.03895 0.03619 = 0.02092 -0.00289 0.01340 -0.00016 C27 1 0.724049 0.436967 0.302968 11.00000 0.02907 0.02892 = 0.02723 0.00039 0.01472 0.00087 F3 4 0.645829 0.472190 0.332182 11.00000 0.03694 0.04521 = 0.03684 -0.00280 0.01951 0.00925 C28 1 0.688205 0.420000 0.189451 11.00000 0.02352 0.03436 = 0.02343 0.00221 0.00840 0.00181 F4 4 0.577365 0.439818 0.113644 11.00000 0.02619 0.06475 = 0.03000 0.00421 0.00605 0.01024 HKLF 4 REM e3586a_a.res in P2(1)/n REM R1 = 0.0335 for 6262 Fo > 4sig(Fo) and 0.0430 for all 7479 data REM 343 parameters refined using 0 restraints END WGHT 0.0422 2.9152 REM Highest difference peak 2.703, deepest hole -0.498, 1-sigma level 0.109 Q1 1 0.7440 0.3028 -0.0275 11.00000 0.05 2.70 Q2 1 0.8220 0.4237 0.5522 11.00000 0.05 1.07 Q3 1 0.8341 0.4573 0.5235 11.00000 0.05 1.04 Q4 1 0.6618 0.3882 -0.0262 11.00000 0.05 1.00 Q5 1 0.6443 0.3573 -0.0277 11.00000 0.05 0.83 Q6 1 0.9604 0.4256 0.5637 11.00000 0.05 0.69 Q7 1 0.9165 0.4771 0.5734 11.00000 0.05 0.64 Q8 1 0.7970 0.3497 0.0000 11.00000 0.05 0.63 Q9 1 0.2792 0.3706 0.1642 11.00000 0.05 0.47 Q10 1 0.7143 0.4365 0.2439 11.00000 0.05 0.47 Q11 1 0.3783 0.3447 0.2411 11.00000 0.05 0.47 Q12 1 0.0600 0.5002 0.1397 11.00000 0.05 0.46 Q13 1 0.3669 0.3972 0.3752 11.00000 0.05 0.46 Q14 1 0.9645 0.4001 0.5986 11.00000 0.05 0.46 Q15 1 0.4808 0.3287 0.3182 11.00000 0.05 0.46 Q16 1 0.0883 0.4112 0.0010 11.00000 0.05 0.45 Q17 1 0.7150 0.1774 0.1948 11.00000 0.05 0.45 Q18 1 0.1836 0.4205 -0.0038 11.00000 0.05 0.45 Q19 1 0.6730 0.3323 -0.0630 11.00000 0.05 0.45 Q20 1 0.7748 0.3797 0.0304 11.00000 0.05 0.45 ; _shelx_res_checksum 83352 _shelx_hkl_file ; 1 0 0 -0.70 0.20 1 0 0 0.40 0.20 -1 0 0 -0.30 0.20 -1 0 0 0.00 0.20 -2 0 0 431.26 8.70 2 0 0 416.56 8.70 2 0 0 436.36 9.50 -2 0 0 419.96 9.50 -3 0 0 1.10 0.80 3 0 0 -0.50 0.50 4 0 0 70.29 2.70 -4 0 0 82.59 3.90 -5 0 0 1.40 1.00 5 0 0 0.50 0.70 6 0 0 179.78 5.60 -6 0 0 168.28 7.10 7 0 0 1.90 1.10 -7 0 0 0.10 1.20 -8 0 0 195.18 8.90 8 0 0 196.28 6.70 9 0 0 1.10 1.20 -9 0 0 2.90 2.00 -10 0 0 142.69 8.60 10 0 0 150.08 6.30 -11 0 0 -2.10 1.90 11 0 0 -1.90 1.10 -12 0 0 292.97 13.70 12 0 0 281.07 10.00 13 0 0 -0.80 1.50 -13 0 0 1.00 2.40 -14 0 0 24.20 5.50 14 0 0 21.10 3.80 -15 0 0 -1.60 2.60 15 0 0 4.00 2.50 -1 -1 0 387.86 8.00 1 -1 0 401.16 8.00 1 -1 0 373.46 7.60 -1 -1 0 388.66 7.60 -1 1 0 392.96 7.60 1 1 0 378.96 7.60 -1 1 0 394.36 8.00 1 1 0 398.76 8.00 2 -1 0 18.20 1.00 -2 -1 0 13.00 0.90 2 -1 0 15.10 1.20 -2 -1 0 15.30 1.30 -2 1 0 12.90 1.20 2 1 0 13.20 0.90 -2 1 0 16.10 1.00 2 1 0 13.40 1.20 3 -1 0 43.10 1.80 3 -1 0 42.40 2.30 -3 -1 0 44.20 2.50 -3 1 0 39.40 2.40 3 1 0 39.10 1.70 -4 -1 0 672.93 15.60 4 -1 0 642.94 13.80 -4 1 0 678.13 15.70 4 1 0 640.74 13.80 -5 -1 0 1033.50 23.70 5 -1 0 1044.80 21.50 -5 1 0 1086.89 24.00 5 1 0 1035.60 21.50 6 -1 0 1281.27 26.50 -6 -1 0 1282.87 29.30 6 1 0 1299.47 26.50 -6 1 0 1312.67 29.40 7 -1 0 559.54 13.50 -7 -1 0 574.04 16.40 7 1 0 580.24 13.60 -7 1 0 563.84 16.30 -8 -1 0 24.30 3.60 8 -1 0 25.70 2.60 -8 1 0 28.20 4.20 8 1 0 28.70 2.80 -9 -1 0 28.80 4.40 9 -1 0 29.70 3.20 9 1 0 28.50 3.00 -9 1 0 29.70 4.60 10 -1 0 21.10 2.90 -10 -1 0 24.70 4.50 10 1 0 21.00 2.90 -10 1 0 28.60 4.70 11 -1 0 31.70 3.60 -11 -1 0 19.60 4.30 -11 1 0 27.20 5.10 11 1 0 33.70 3.70 12 -1 0 36.10 4.10 -12 -1 0 33.80 5.60 12 1 0 35.50 4.00 -12 1 0 34.80 5.70 13 -1 0 126.39 6.80 -13 -1 0 131.09 9.50 13 1 0 114.29 6.50 -13 1 0 106.89 8.70 -14 -1 0 1.30 2.70 14 -1 0 -2.60 1.60 14 1 0 0.40 1.90 -14 1 0 -1.60 1.90 15 -1 0 29.60 4.40 -15 -1 0 41.10 7.00 -15 1 0 31.00 6.30 15 1 0 36.40 4.80 0 -2 0 326.37 6.20 0 -2 0 309.47 6.10 0 -2 0 305.37 6.30 0 2 0 306.57 6.30 1 -2 0 2817.02 55.49 -1 -2 0 2862.21 55.89 -1 -2 0 2824.42 54.09 1 -2 0 2704.93 53.99 -1 2 0 2780.22 54.19 1 2 0 2894.21 55.19 1 2 0 2718.33 53.59 -1 2 0 2741.13 54.59 2 -2 0 27.60 1.60 -2 -2 0 22.40 1.50 2 -2 0 25.50 1.20 -2 -2 0 27.20 1.20 -2 2 0 25.40 1.20 2 2 0 26.20 1.60 2 2 0 26.90 1.20 -2 2 0 27.60 1.70 -3 -2 0 162.68 4.20 3 -2 0 149.79 4.10 3 -2 0 164.48 5.00 -3 -2 0 152.08 5.00 3 2 0 147.29 4.00 -3 2 0 160.88 5.10 4 -2 0 561.44 12.50 -4 -2 0 589.94 14.20 -4 2 0 591.34 14.30 4 2 0 592.74 12.50 5 -2 0 81.69 3.30 -5 -2 0 77.29 4.30 -5 2 0 86.09 4.50 5 2 0 83.49 3.30 -6 -2 0 14.70 2.40 6 -2 0 19.90 2.00 6 2 0 17.60 1.80 -6 2 0 19.40 2.80 -7 -2 0 226.78 9.00 7 -2 0 230.38 7.00 -7 2 0 211.08 8.80 7 2 0 229.68 6.90 -8 -2 0 99.59 6.20 8 -2 0 98.09 4.50 -8 2 0 89.29 5.90 8 2 0 88.19 4.30 9 -2 0 108.19 5.00 -9 -2 0 102.19 6.80 9 2 0 108.39 5.10 -9 2 0 109.89 6.90 -10 -2 0 131.09 8.10 10 -2 0 143.99 6.20 -10 2 0 127.39 8.20 10 2 0 152.58 6.30 11 -2 0 250.67 9.00 -11 -2 0 269.97 12.50 -11 2 0 242.48 12.00 11 2 0 252.57 9.00 -12 -2 0 -0.40 2.10 12 -2 0 0.00 1.70 -12 2 0 0.20 2.40 12 2 0 1.50 1.80 13 -2 0 107.19 6.20 -13 -2 0 109.69 8.70 -13 2 0 116.39 8.90 13 2 0 98.69 6.10 -14 -2 0 4.20 3.20 14 -2 0 8.00 2.80 14 2 0 8.40 2.70 -14 2 0 8.00 3.80 15 -2 0 1.30 2.00 -15 -2 0 2.80 2.80 15 2 0 1.70 2.20 -15 2 0 -1.40 2.20 0 -3 0 1.20 0.30 0 -3 0 1.20 0.30 0 -3 0 1.20 0.40 0 3 0 1.40 0.40 0 3 0 1.50 0.30 -1 -3 0 866.61 16.80 1 -3 0 832.72 17.20 -1 -3 0 858.21 16.60 1 -3 0 868.71 16.40 1 3 0 869.41 16.50 -1 3 0 846.32 16.20 -1 3 0 834.32 16.50 1 3 0 837.62 16.10 -2 -3 0 767.92 16.20 2 -3 0 805.82 16.00 2 -3 0 762.12 15.40 -2 -3 0 797.62 15.30 -2 3 0 788.82 15.40 2 3 0 766.32 15.30 2 3 0 815.22 16.20 -2 3 0 787.82 16.30 3 -3 0 1106.39 22.40 -3 -3 0 1026.40 22.10 -3 -3 0 1103.59 20.90 3 -3 0 1033.40 20.90 -3 3 0 1046.80 22.20 3 3 0 1057.09 20.80 -4 -3 0 790.82 18.00 4 -3 0 766.92 16.20 4 3 0 784.62 16.20 -4 3 0 791.52 18.00 5 -3 0 132.59 4.40 -5 -3 0 134.09 5.80 -5 3 0 137.49 5.80 5 3 0 137.99 4.40 -6 -3 0 1150.48 26.60 6 -3 0 1151.88 23.90 -6 3 0 1181.38 26.80 6 3 0 1126.39 23.80 -7 -3 0 296.67 10.70 7 -3 0 294.67 8.40 -7 3 0 327.17 11.10 7 3 0 292.67 8.40 8 -3 0 10.50 1.80 -8 -3 0 11.50 2.90 8 3 0 10.60 1.90 -8 3 0 8.50 2.50 -9 -3 0 370.06 13.90 9 -3 0 412.26 11.30 9 3 0 399.66 11.20 -9 3 0 395.66 14.20 -10 -3 0 15.20 3.60 10 -3 0 12.00 2.20 10 3 0 9.00 2.00 -10 3 0 7.00 2.70 -11 -3 0 69.89 7.30 11 -3 0 80.19 5.00 -11 3 0 82.39 6.90 11 3 0 85.49 5.10 12 -3 0 91.39 5.60 -12 -3 0 103.09 8.10 12 3 0 90.69 5.50 -12 3 0 84.69 8.50 13 -3 0 -0.10 1.60 -13 -3 0 6.00 3.40 13 3 0 -0.20 1.80 -13 3 0 3.30 2.80 -14 -3 0 3.00 3.00 14 -3 0 1.60 2.10 -14 3 0 1.00 2.90 14 3 0 3.20 2.10 15 -3 0 7.40 2.90 -15 -3 0 6.00 3.50 -15 3 0 9.60 4.00 15 3 0 7.40 3.00 0 4 0 7525.45 139.59 1 -4 0 363.76 7.40 -1 -4 0 357.06 7.70 1 -4 0 345.27 7.30 -1 -4 0 365.86 7.20 -1 -4 0 353.36 7.60 1 4 0 357.96 7.20 -1 4 0 367.06 7.60 -1 4 0 366.56 7.30 1 4 0 373.56 7.60 2 -4 0 473.55 9.90 -2 -4 0 477.55 10.60 2 -4 0 491.55 10.40 -2 -4 0 483.95 9.80 2 4 0 463.35 9.80 2 4 0 507.15 10.80 -2 4 0 469.05 10.60 3 -4 0 1775.92 34.00 -3 -4 0 1718.03 34.40 -3 -4 0 1781.62 33.00 3 -4 0 1649.83 34.70 -3 4 0 1697.33 34.50 3 4 0 1735.23 33.00 4 -4 0 403.26 9.30 -4 -4 0 401.06 10.80 4 4 0 419.56 9.30 -4 4 0 416.56 11.00 -5 -4 0 517.35 13.70 5 -4 0 499.55 11.70 -5 4 0 516.45 13.70 5 4 0 524.15 11.70 -6 -4 0 55.09 3.90 6 -4 0 48.20 2.70 6 4 0 54.39 2.90 -6 4 0 43.50 3.70 -7 -4 0 510.65 15.20 7 -4 0 522.15 12.70 7 4 0 520.45 12.70 -7 4 0 515.75 15.30 8 -4 0 1.30 1.20 -8 -4 0 0.20 1.40 8 4 0 1.70 1.30 -8 4 0 -0.50 1.20 9 -4 0 1.60 1.40 -9 -4 0 2.60 1.90 9 4 0 1.90 1.50 -9 4 0 2.60 1.90 -10 -4 0 166.78 9.30 10 -4 0 187.18 7.20 10 4 0 195.78 7.40 -10 4 0 174.58 9.60 11 -4 0 1.30 1.60 -11 -4 0 3.80 2.50 -11 4 0 -0.20 2.00 11 4 0 1.60 1.40 -12 -4 0 111.19 8.40 12 -4 0 113.29 6.20 -12 4 0 111.39 8.50 12 4 0 115.99 6.30 -13 -4 0 43.40 6.40 13 -4 0 65.39 5.10 13 4 0 61.19 4.90 -13 4 0 50.79 7.10 14 -4 0 46.80 5.10 -14 -4 0 44.90 7.00 14 4 0 58.29 5.70 -14 4 0 54.19 7.50 -15 -4 0 16.90 5.20 15 -4 0 10.00 3.00 15 4 0 14.00 3.40 -15 4 0 10.60 4.20 0 -5 0 -0.20 0.50 0 -5 0 -0.10 0.30 0 -5 0 0.20 0.40 0 5 0 0.80 0.50 1 -5 0 1188.28 23.10 -1 -5 0 1245.28 23.10 -1 -5 0 1220.78 23.60 -1 -5 0 1222.98 23.40 1 -5 0 1259.07 23.80 1 5 0 1191.68 23.50 -1 5 0 1215.48 23.40 -1 5 0 1226.48 23.10 1 5 0 1232.58 23.30 2 -5 0 38.60 1.60 -2 -5 0 36.90 1.90 2 -5 0 37.40 1.70 -2 -5 0 40.50 1.50 2 5 0 40.40 2.60 -2 5 0 37.10 1.90 2 5 0 34.40 1.40 3 -5 0 21.60 1.40 -3 -5 0 26.00 2.00 3 5 0 23.50 1.40 -3 5 0 22.40 1.90 -4 -5 0 261.07 7.90 4 -5 0 259.67 6.60 4 5 0 266.97 6.60 -4 5 0 262.67 8.10 -5 -5 0 373.76 10.90 5 -5 0 377.76 9.20 5 5 0 374.26 9.10 -5 5 0 375.66 11.00 -6 -5 0 22.20 3.10 6 -5 0 24.40 2.10 6 5 0 21.80 2.10 -6 5 0 22.60 3.10 -7 -5 0 136.59 6.90 7 -5 0 153.18 5.40 7 5 0 143.59 5.30 -7 5 0 141.89 7.10 8 -5 0 512.65 12.90 -8 -5 0 479.25 15.50 -8 5 0 511.95 15.90 8 5 0 505.15 12.90 9 -5 0 15.50 2.40 -9 -5 0 16.10 3.50 9 5 0 14.90 2.40 -9 5 0 15.70 3.60 -10 -5 0 304.97 13.00 10 -5 0 356.16 10.70 10 5 0 360.76 10.80 -10 5 0 328.37 13.60 11 -5 0 28.20 3.50 -11 -5 0 18.50 4.10 -11 5 0 15.10 4.00 11 5 0 28.30 3.70 -12 -5 0 18.10 4.30 12 -5 0 24.30 3.60 12 5 0 15.90 2.90 -12 5 0 18.10 4.20 13 -5 0 27.50 4.00 -13 -5 0 21.60 5.00 13 5 0 18.00 3.30 -13 5 0 15.80 4.20 14 -5 0 8.50 2.80 -14 -5 0 7.80 3.50 -14 5 0 3.70 3.30 14 5 0 7.20 2.60 15 -5 0 16.20 3.60 -15 -5 0 9.10 3.90 15 5 0 16.90 3.80 -15 5 0 11.80 4.60 0 -6 0 1213.68 23.20 0 -6 0 1215.08 23.00 0 6 0 1224.48 23.50 -1 -6 0 106.29 3.10 -1 -6 0 101.09 2.60 1 -6 0 105.59 2.70 -1 -6 0 102.49 2.80 1 -6 0 100.89 2.70 -1 6 0 101.49 2.50 1 6 0 105.39 2.70 2 -6 0 66.89 2.40 -2 -6 0 70.09 2.70 -2 -6 0 72.89 2.20 2 -6 0 68.39 2.30 2 6 0 66.79 2.10 -2 6 0 65.09 2.70 3 -6 0 1973.00 40.90 -3 -6 0 2011.30 39.30 -3 6 0 1992.00 39.40 3 6 0 1984.20 37.90 4 -6 0 424.96 9.60 -4 -6 0 410.46 11.00 -4 6 0 408.26 11.00 4 6 0 413.26 9.40 5 -6 0 1.20 0.90 -5 -6 0 1.10 1.10 -5 6 0 4.50 1.50 5 6 0 0.70 0.70 -6 -6 0 20.50 3.00 6 -6 0 31.20 2.30 6 6 0 28.70 2.20 -6 6 0 35.10 3.90 -7 -6 0 18.50 3.00 7 -6 0 21.00 2.20 7 6 0 24.40 2.60 -7 6 0 25.30 3.70 8 -6 0 97.99 4.60 -8 -6 0 85.89 5.80 -8 6 0 99.39 6.30 8 6 0 94.19 4.50 9 -6 0 97.49 4.90 -9 -6 0 102.79 6.80 9 6 0 102.59 5.00 -9 6 0 106.59 7.00 10 -6 0 38.60 3.80 -10 -6 0 44.90 5.50 -10 6 0 43.80 5.80 10 6 0 40.90 4.00 11 -6 0 5.80 1.90 -11 -6 0 3.90 2.50 -11 6 0 3.40 2.60 11 6 0 8.10 2.20 -12 -6 0 16.90 4.20 12 -6 0 15.50 2.90 -12 6 0 16.70 4.50 12 6 0 22.00 3.40 13 -6 0 80.89 5.50 -13 -6 0 74.09 8.50 -13 6 0 79.79 8.70 13 6 0 62.39 5.00 -14 -6 0 77.49 8.80 14 -6 0 88.89 6.00 14 6 0 69.09 5.60 -14 6 0 81.19 9.00 15 -6 0 34.00 4.70 -15 -6 0 29.70 6.10 15 6 0 35.40 4.90 -15 6 0 30.10 6.20 0 -7 0 -1.70 0.30 0 -7 0 -1.60 0.30 0 7 0 -2.00 0.40 -1 -7 0 871.21 17.00 -1 -7 0 879.71 16.70 1 -7 0 865.11 16.80 1 -7 0 883.61 16.80 -1 -7 0 874.31 17.40 -1 7 0 847.02 17.20 1 7 0 836.32 17.30 -2 -7 0 0.20 0.50 -2 -7 0 0.40 0.50 -2 -7 0 0.70 0.50 2 -7 0 0.00 0.50 2 -7 0 1.10 0.50 2 7 0 0.30 0.50 -2 7 0 2.80 0.80 2 7 0 0.40 0.40 3 -7 0 2436.06 47.70 -3 -7 0 2329.47 46.00 -3 -7 0 2382.56 44.80 3 7 0 2324.67 44.70 -3 7 0 2349.76 46.20 -4 -7 0 2.80 1.10 4 -7 0 2.50 0.90 -4 7 0 3.20 1.20 4 7 0 2.90 0.90 5 -7 0 5.90 1.20 -5 -7 0 5.20 1.50 -5 7 0 2.20 1.40 5 7 0 8.00 1.30 6 -7 0 21.10 2.20 -6 -7 0 20.10 3.00 -6 7 0 19.00 2.80 6 7 0 20.50 2.20 7 -7 0 43.00 2.80 -7 -7 0 41.00 4.30 7 7 0 43.50 2.90 -7 7 0 39.90 4.30 8 -7 0 1.40 1.30 -8 -7 0 1.50 1.60 -8 7 0 -1.70 1.20 8 7 0 0.70 1.20 9 -7 0 651.03 16.20 -9 -7 0 655.53 19.50 -9 7 0 661.83 19.80 9 7 0 629.74 16.10 10 -7 0 -0.50 1.40 -10 -7 0 0.90 1.60 -10 7 0 2.90 2.30 10 7 0 1.20 1.40 -11 -7 0 18.70 4.10 11 -7 0 21.60 3.20 11 7 0 16.30 2.90 -11 7 0 17.00 4.10 12 -7 0 -0.30 1.60 -12 -7 0 -1.10 2.10 -12 7 0 -1.60 2.10 12 7 0 -1.10 1.50 13 -7 0 6.50 2.30 -13 -7 0 3.20 2.80 13 7 0 7.80 2.70 -13 7 0 7.10 3.20 14 -7 0 4.40 2.30 -14 -7 0 1.00 2.70 -14 7 0 2.20 2.80 14 7 0 0.10 2.00 -15 -7 0 -1.00 2.60 15 -7 0 2.40 2.30 -15 7 0 -1.70 2.40 0 -8 0 478.25 9.70 0 -8 0 491.75 9.90 0 8 0 485.35 10.40 1 -8 0 355.76 7.80 -1 -8 0 371.56 8.40 -1 -8 0 381.66 7.70 -1 -8 0 374.76 8.00 1 -8 0 373.76 7.80 -1 8 0 365.96 8.30 -2 -8 0 672.43 13.20 2 -8 0 648.84 13.30 2 -8 0 659.23 13.50 -2 -8 0 642.04 14.00 -2 -8 0 663.63 13.90 -2 8 0 654.23 13.90 -3 -8 0 895.91 17.70 3 -8 0 832.92 17.40 3 -8 0 873.21 17.90 -3 -8 0 845.72 18.40 -3 8 0 862.61 18.60 3 8 0 848.42 17.20 -4 -8 0 978.20 21.60 -4 -8 0 1027.80 21.60 4 -8 0 986.20 20.20 -4 8 0 968.90 21.70 4 8 0 967.10 19.90 -5 -8 0 0.20 1.00 5 -8 0 2.40 1.00 5 8 0 1.30 0.90 -5 8 0 1.30 1.20 -6 -8 0 29.20 3.60 6 -8 0 29.60 2.30 -6 8 0 20.50 3.10 6 8 0 22.80 2.30 -7 -8 0 13.00 2.60 7 -8 0 9.70 1.80 7 8 0 8.30 1.70 -7 8 0 11.80 2.60 8 -8 0 90.59 4.50 -8 -8 0 88.79 5.90 8 8 0 98.19 4.70 -8 8 0 107.89 6.50 -9 -8 0 6.20 2.30 9 -8 0 7.50 2.00 9 8 0 6.90 1.80 -9 8 0 5.90 2.60 10 -8 0 6.40 1.80 -10 -8 0 7.40 2.70 -10 8 0 6.30 2.70 10 8 0 4.40 1.80 -11 -8 0 11.80 3.50 11 -8 0 9.80 2.50 11 8 0 10.90 2.50 -11 8 0 11.00 3.40 12 -8 0 0.30 1.70 -12 -8 0 -3.60 1.70 12 8 0 2.30 2.00 -12 8 0 1.60 2.30 13 -8 0 41.20 4.50 -13 -8 0 34.40 5.70 -13 8 0 45.50 6.50 13 8 0 38.40 4.60 14 -8 0 55.09 5.50 -14 -8 0 57.99 8.00 -14 8 0 50.79 7.10 0 -9 0 1.10 0.40 0 -9 0 0.20 0.50 0 9 0 1.80 0.70 -1 -9 0 245.38 5.70 -1 -9 0 244.18 6.10 1 -9 0 240.48 5.50 -1 -9 0 242.28 5.40 1 -9 0 243.58 5.60 -1 9 0 234.88 6.00 -2 -9 0 400.86 8.60 -2 -9 0 392.26 9.40 -2 -9 0 406.36 9.10 2 -9 0 398.76 8.70 -3 -9 0 7.50 1.30 3 -9 0 6.60 1.10 -3 -9 0 8.40 1.40 3 -9 0 8.10 1.20 3 9 0 7.90 1.00 -3 9 0 9.70 1.50 -4 -9 0 278.97 8.10 4 -9 0 281.47 7.10 4 9 0 266.97 6.80 -4 9 0 274.17 8.30 5 -9 0 183.18 5.70 -5 -9 0 201.58 7.10 -5 9 0 179.08 6.90 5 9 0 182.18 5.50 -6 -9 0 8.00 2.00 6 -9 0 11.60 1.80 -6 9 0 8.80 2.20 6 9 0 10.50 1.60 7 -9 0 52.19 3.20 -7 -9 0 50.09 4.10 -7 9 0 57.49 4.50 7 9 0 50.49 3.20 8 -9 0 199.38 6.90 -8 -9 0 187.98 8.70 8 9 0 206.98 7.00 -8 9 0 196.88 9.00 9 -9 0 56.89 3.90 -9 -9 0 54.79 5.90 9 9 0 55.89 3.90 -9 9 0 41.30 5.30 10 -9 0 213.38 7.90 -10 -9 0 210.48 10.30 10 9 0 197.18 7.80 -10 9 0 213.38 10.50 11 -9 0 8.20 2.40 -11 -9 0 2.30 2.40 -11 9 0 10.60 3.60 11 9 0 8.40 2.40 -12 -9 0 -0.80 2.00 12 -9 0 -0.30 1.50 -12 9 0 -3.80 1.40 12 9 0 -0.10 1.70 -13 -9 0 95.69 8.00 13 -9 0 91.69 6.10 -13 9 0 92.79 9.30 -14 -9 0 3.60 2.20 14 -9 0 1.80 2.30 0 -10 0 1133.59 22.00 0 -10 0 1149.89 21.80 0 10 0 1116.89 22.60 -1 -10 0 2.20 0.60 1 -10 0 0.80 0.50 -1 -10 0 0.30 0.50 -1 -10 0 0.70 0.60 1 -10 0 1.20 0.60 -1 10 0 -0.40 0.60 2 -10 0 154.78 4.60 -2 -10 0 154.98 4.50 -2 -10 0 153.28 4.80 2 -10 0 153.88 4.20 -2 -10 0 162.68 4.10 2 10 0 154.38 3.40 -2 10 0 150.28 4.60 -3 -10 0 977.20 20.60 3 -10 0 974.70 19.60 -3 -10 0 974.50 20.40 3 10 0 973.90 19.30 -3 10 0 953.10 20.40 -4 -10 0 0.70 0.80 4 -10 0 0.80 0.80 -4 -10 0 1.30 0.90 4 10 0 1.00 0.70 -4 10 0 0.20 0.90 5 -10 0 12.60 1.70 -5 -10 0 15.50 2.30 -5 10 0 15.00 2.40 5 10 0 14.30 1.70 6 -10 0 49.00 3.00 -6 -10 0 40.90 3.50 -6 10 0 47.10 3.80 6 10 0 44.50 2.70 -7 -10 0 95.99 5.60 7 -10 0 89.69 4.30 7 10 0 92.59 4.20 -7 10 0 80.19 5.40 8 -10 0 39.40 3.20 -8 -10 0 40.60 4.60 8 10 0 47.40 3.40 -8 10 0 42.60 4.90 9 -10 0 24.20 3.10 -9 -10 0 21.30 3.80 9 10 0 27.10 3.10 -9 10 0 26.00 4.20 10 -10 0 125.29 6.00 -10 -10 0 119.49 7.70 10 10 0 121.49 5.90 -10 10 0 120.39 7.90 11 -10 0 0.00 1.60 -11 -10 0 2.50 2.40 -11 10 0 4.40 2.60 -12 -10 0 37.30 5.70 12 -10 0 51.09 5.00 13 -10 0 58.29 5.50 -13 -10 0 46.90 6.70 14 -10 0 23.20 3.90 -14 -10 0 25.90 5.60 0 -11 0 1.70 0.50 0 -11 0 3.00 0.70 0 11 0 3.00 0.80 1 -11 0 71.69 2.40 1 -11 0 71.79 2.50 -1 -11 0 73.89 2.90 -1 -11 0 70.59 2.30 -1 11 0 75.69 2.90 2 -11 0 370.76 8.30 2 -11 0 358.56 8.20 -2 -11 0 371.76 8.00 -2 -11 0 371.36 9.00 -2 -11 0 362.76 8.50 -2 11 0 360.76 7.60 -2 11 0 354.16 8.70 -3 -11 0 166.58 5.30 -3 -11 0 171.98 5.50 3 -11 0 169.58 4.80 -4 -11 0 184.88 7.30 4 -11 0 188.88 5.40 -4 -11 0 188.08 6.30 -4 11 0 169.78 6.00 4 11 0 184.78 4.90 4 11 0 179.48 5.00 -5 -11 0 209.28 7.30 5 -11 0 202.48 6.10 5 11 0 199.88 5.70 -5 11 0 193.88 7.20 -6 -11 0 310.37 10.20 6 -11 0 307.57 8.60 -6 11 0 300.07 10.10 6 11 0 310.17 8.30 -7 -11 0 205.68 8.40 7 -11 0 199.68 6.80 -7 11 0 199.98 8.50 7 11 0 207.58 6.60 8 -11 0 5.90 1.80 -8 -11 0 6.90 2.30 -8 11 0 14.10 3.10 8 11 0 10.40 2.00 -9 -11 0 38.30 4.80 9 -11 0 32.30 3.40 -9 11 0 35.80 4.80 -10 -11 0 21.20 4.00 10 -11 0 18.40 2.80 -10 11 0 21.10 4.20 -11 -11 0 42.20 5.90 11 -11 0 48.80 4.20 -12 -11 0 13.60 3.40 12 -11 0 34.20 4.10 13 -11 0 2.70 2.30 -13 -11 0 2.70 3.00 14 -11 0 8.40 2.90 -14 -11 0 9.40 4.30 0 -12 0 26.00 1.40 0 -12 0 25.70 1.50 0 12 0 24.50 1.80 -1 -12 0 733.43 15.90 1 -12 0 762.02 15.10 1 -12 0 737.23 15.10 -1 -12 0 764.72 15.30 -1 -12 0 742.73 15.00 -1 12 0 748.03 15.90 2 -12 0 13.80 1.40 -2 -12 0 14.60 1.50 -2 -12 0 11.00 1.50 -2 12 0 17.40 1.80 3 -12 0 1.00 0.80 -3 -12 0 0.40 0.80 -3 -12 0 1.40 0.90 3 12 0 1.70 0.60 4 -12 0 10.90 1.50 -4 -12 0 8.90 1.60 -5 -12 0 1.80 1.10 5 -12 0 1.30 1.00 -5 12 0 0.80 1.10 6 -12 0 0.20 1.10 -6 -12 0 0.00 1.30 6 12 0 2.00 1.10 -6 12 0 0.10 1.20 7 -12 0 171.58 6.30 -7 -12 0 190.18 8.00 -8 -12 0 1.30 1.70 8 -12 0 4.10 1.70 9 -12 0 23.80 3.00 -9 -12 0 8.40 2.60 10 -12 0 2.60 1.80 -10 -12 0 0.60 1.90 -11 -12 0 181.18 10.10 11 -12 0 185.58 7.90 -12 -12 0 3.90 2.80 12 -12 0 0.10 1.80 13 -12 0 30.50 4.30 -13 -12 0 33.20 5.80 0 -13 0 0.90 0.60 0 -13 0 0.40 0.60 0 -13 0 0.20 0.50 1 -13 0 77.89 2.80 1 -13 0 80.69 2.80 -1 -13 0 83.99 2.90 -1 -13 0 85.59 2.70 -1 13 0 88.39 3.40 -2 -13 0 21.80 1.70 2 -13 0 24.50 1.70 -2 -13 0 22.20 1.90 -2 13 0 25.90 2.00 -3 -13 0 12.60 1.70 3 -13 0 11.60 1.50 -3 -13 0 11.70 1.70 -3 13 0 11.60 1.60 4 -13 0 126.29 4.40 -4 -13 0 129.09 5.00 -5 -13 0 207.88 7.30 5 -13 0 204.28 6.30 6 -13 0 571.64 13.80 -6 -13 0 585.24 15.50 7 -13 0 136.39 5.50 -7 -13 0 135.29 6.70 -8 -13 0 42.40 4.90 8 -13 0 44.90 3.50 9 -13 0 2.50 1.60 -9 -13 0 -1.80 1.50 -10 -13 0 4.60 2.60 10 -13 0 11.20 2.50 11 -13 0 9.10 2.50 -11 -13 0 5.30 2.80 -12 -13 0 25.80 5.00 12 -13 0 22.10 3.60 13 -13 0 37.40 4.60 -13 -13 0 29.70 5.60 0 -14 0 1546.25 29.70 0 -14 0 1533.45 29.80 -1 -14 0 85.59 2.90 1 -14 0 85.99 3.00 1 -14 0 82.99 2.90 -1 -14 0 87.39 3.10 -1 14 0 88.79 3.50 -2 -14 0 38.00 2.10 -2 -14 0 34.10 2.50 2 -14 0 36.00 2.10 -2 14 0 35.40 2.30 -3 -14 0 3.70 1.10 3 -14 0 3.70 1.00 -3 -14 0 2.70 1.10 -3 14 0 4.40 1.20 -4 -14 0 42.80 2.80 4 -14 0 40.30 2.50 -5 -14 0 10.10 2.00 5 -14 0 9.30 1.70 6 -14 0 13.20 2.00 -6 -14 0 12.60 2.40 7 -14 0 29.60 3.00 -7 -14 0 37.90 4.10 8 -14 0 22.70 2.90 -8 -14 0 23.60 3.60 -9 -14 0 0.60 1.90 9 -14 0 2.40 1.70 10 -14 0 175.88 7.40 -10 -14 0 159.78 8.90 -11 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4 1500.65 30.40 1 7 4 1510.85 30.70 -1 7 -4 1525.25 29.60 2 -7 4 180.48 5.30 -2 -7 -4 185.98 6.60 -2 7 -4 190.68 5.60 2 7 4 191.18 6.10 -3 -7 -4 15.10 2.40 3 -7 4 13.00 1.60 -3 7 -4 14.00 2.00 3 7 4 17.20 2.10 -4 -7 -4 9.50 2.10 4 -7 4 12.20 1.80 -4 7 -4 15.20 2.30 4 7 4 12.10 2.10 5 -7 4 334.47 9.30 -5 -7 -4 317.17 11.00 -5 7 -4 312.67 10.30 5 7 4 344.07 9.90 -6 -7 -4 57.29 4.70 6 -7 4 54.29 3.60 6 7 4 55.19 4.00 -6 7 -4 54.49 4.30 7 -7 4 700.33 17.00 -7 -7 -4 654.33 19.50 7 7 4 667.33 17.30 -7 7 -4 665.03 18.90 8 -7 4 6.30 1.90 -8 -7 -4 5.70 2.50 8 7 4 7.10 2.30 -8 7 -4 4.30 2.10 -9 -7 -4 85.79 6.90 9 -7 4 78.39 5.00 9 7 4 72.39 5.20 -9 7 -4 72.59 6.10 10 -7 4 1.30 1.70 -10 -7 -4 0.40 2.30 -10 7 -4 2.10 2.10 10 7 4 0.30 1.90 -11 -7 -4 30.60 5.40 11 -7 4 33.50 4.30 -11 7 -4 30.70 5.40 11 7 4 29.50 4.40 12 -7 4 2.00 2.30 -12 -7 -4 6.30 3.50 12 7 4 3.30 2.50 -13 -7 -4 3.40 3.00 13 -7 4 0.30 2.10 13 7 4 2.20 2.50 16 -8 -4 41.70 5.10 -16 -8 4 47.60 7.50 -16 8 4 46.50 7.20 -15 -8 4 11.70 4.30 15 -8 -4 14.20 3.40 -15 8 4 17.50 4.70 -14 -8 4 19.30 4.70 14 -8 -4 17.70 3.40 -14 8 4 10.10 3.80 13 -8 -4 10.40 2.80 -13 -8 4 0.00 2.30 -13 8 4 13.30 4.10 12 -8 -4 6.40 2.10 -12 -8 4 2.70 2.40 -12 8 4 5.00 2.90 12 8 -4 3.40 1.70 11 -8 -4 32.70 3.70 -11 -8 4 26.20 4.40 -11 8 4 27.40 4.50 11 8 -4 26.20 3.00 -10 -8 4 61.29 6.20 10 -8 -4 53.09 3.90 -10 8 4 54.29 5.70 10 8 -4 52.19 3.50 9 -8 -4 -1.60 1.10 -9 -8 4 -0.80 1.40 9 8 -4 0.50 1.10 -9 8 4 0.80 1.70 -8 -8 4 79.09 4.90 8 -8 -4 86.69 4.40 -8 8 4 86.49 5.30 8 8 -4 83.79 3.60 -7 -8 4 52.59 3.60 7 -8 -4 43.90 3.10 7 8 -4 47.50 2.50 -7 8 4 50.89 3.70 6 -8 -4 703.13 16.30 -6 -8 4 727.63 16.50 6 8 -4 698.23 14.80 -6 8 4 709.53 16.80 -5 -8 4 343.87 8.50 5 -8 -4 323.57 9.00 -5 8 4 335.57 9.10 5 8 -4 328.77 7.40 4 -8 -4 19.60 2.20 -4 -8 4 16.20 2.10 -4 -8 4 17.90 1.40 -4 8 4 20.50 2.10 -3 -8 4 56.69 2.00 3 -8 -4 54.39 3.00 -3 -8 4 54.19 2.00 -3 8 4 55.49 3.20 -3 8 4 57.49 2.80 2 -8 -4 253.77 7.30 -2 -8 4 256.27 5.80 -2 -8 4 262.17 5.70 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2.00 -10 8 -4 4.00 2.50 11 -8 4 47.80 5.00 -11 -8 -4 55.29 7.10 11 8 4 47.30 5.20 -12 -8 -4 125.39 9.40 12 -8 4 114.39 7.10 12 8 4 111.79 7.30 -15 -9 4 7.90 3.70 15 -9 -4 9.50 2.80 -15 9 4 13.50 4.20 -14 -9 4 1.00 2.50 14 -9 -4 -0.50 1.80 -14 9 4 3.50 2.90 -13 -9 4 12.80 3.90 13 -9 -4 7.20 2.30 -13 9 4 8.30 3.40 -12 -9 4 142.29 8.90 12 -9 -4 134.59 6.70 -12 9 4 146.09 9.20 11 -9 -4 31.60 3.60 -11 -9 4 43.50 5.50 -11 9 4 50.49 6.10 11 9 -4 48.00 3.70 -10 -9 4 260.57 10.80 10 -9 -4 241.58 8.50 10 9 -4 257.07 7.90 -10 9 4 248.08 10.80 -9 -9 4 5.70 2.20 9 -9 -4 4.40 1.60 9 9 -4 6.90 1.50 -9 9 4 7.90 2.50 8 -9 -4 56.79 3.60 -8 -9 4 61.79 4.40 -8 9 4 59.89 4.50 8 9 -4 59.89 3.00 7 -9 -4 141.09 5.60 -7 -9 4 136.69 6.00 7 9 -4 141.49 4.40 -7 9 4 140.69 6.20 6 -9 -4 42.80 3.00 -6 -9 4 40.10 2.90 -6 9 4 37.30 2.90 6 9 -4 38.40 1.90 5 -9 -4 6.70 1.50 -5 -9 4 6.90 1.30 -5 9 4 11.00 1.70 -4 -9 4 137.09 4.00 -4 -9 4 128.59 3.70 4 -9 -4 129.99 4.90 -4 9 4 129.79 4.70 -4 9 4 132.79 5.30 -3 -9 4 3.60 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3.30 -12 -11 -4 9.00 3.80 12 -11 4 2.70 2.40 -15 -12 4 0.60 2.80 15 -12 -4 -0.90 2.00 14 -12 -4 1.60 2.20 -14 -12 4 10.60 3.80 -13 -12 4 109.59 8.60 13 -12 -4 125.49 6.90 12 -12 -4 -1.10 1.80 -12 -12 4 1.90 2.30 11 -12 -4 23.80 3.40 -11 -12 4 22.10 4.10 -11 12 4 18.40 4.10 -10 -12 4 19.00 3.60 10 -12 -4 16.00 2.90 -10 12 4 17.30 3.60 -9 -12 4 169.78 8.10 9 -12 -4 167.38 6.80 -9 12 4 177.78 8.60 8 -12 -4 23.40 2.90 -8 -12 4 21.50 3.10 -8 12 4 25.50 3.70 7 -12 -4 1.20 1.40 -7 -12 4 -0.80 1.10 -7 12 4 1.00 1.40 6 -12 -4 64.19 3.80 -6 -12 4 62.99 3.70 -6 12 4 63.19 4.10 -5 -12 4 15.70 1.90 5 -12 -4 16.90 2.30 -5 12 4 14.60 2.20 -5 12 4 9.60 2.00 -4 -12 4 131.99 3.60 -4 -12 4 130.39 3.60 -4 -12 4 129.09 4.10 4 -12 -4 127.19 5.10 -4 12 4 129.19 5.60 -4 12 4 132.59 5.00 3 -12 -4 449.95 11.50 -3 -12 4 450.15 9.40 -3 -12 4 436.76 9.10 -3 12 4 447.26 10.90 -3 12 4 468.75 12.30 2 -12 -4 16.00 2.20 -2 12 4 16.30 2.50 -2 12 4 16.80 1.90 1 -12 -4 1179.58 25.00 -1 -12 4 1136.59 21.80 -1 -12 4 1165.58 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5 44.80 3.50 5 -11 5 65.49 4.00 -5 -11 -5 71.49 5.30 5 11 5 78.59 4.80 6 -11 5 2.90 1.60 -6 -11 -5 0.30 1.90 6 11 5 6.00 2.20 7 -11 5 1.40 1.60 -7 -11 -5 0.10 1.70 7 11 5 2.70 1.90 -8 -11 -5 53.19 6.40 8 -11 5 62.59 4.60 8 11 5 59.49 5.60 -9 -11 -5 9.90 3.30 9 -11 5 9.80 2.60 10 -11 5 23.40 3.80 -10 -11 -5 22.50 4.90 -11 -11 -5 23.20 5.10 11 -11 5 17.50 3.60 -15 -12 5 16.80 4.60 15 -12 -5 17.90 3.60 -14 -12 5 1.50 2.70 14 -12 -5 0.40 2.00 -13 -12 5 0.10 2.40 13 -12 -5 9.30 2.90 -12 -12 5 100.59 7.40 12 -12 -5 89.39 5.70 -12 12 5 91.79 7.40 11 -12 -5 1.90 1.90 -11 -12 5 2.50 2.20 -11 12 5 4.80 2.70 -10 -12 5 274.37 10.80 10 -12 -5 255.57 9.00 -10 12 5 218.78 10.30 9 -12 -5 6.10 2.00 -9 -12 5 5.80 2.20 -9 12 5 5.50 2.40 -8 -12 5 3.10 1.70 8 -12 -5 -1.00 1.40 -8 12 5 1.20 1.50 -7 -12 5 203.28 7.30 7 -12 -5 190.18 7.10 -7 12 5 182.58 7.40 6 -12 -5 155.38 6.10 -6 -12 5 145.29 5.50 -6 12 5 144.99 6.00 -6 12 5 152.28 6.70 -5 -12 5 26.60 2.00 5 -12 -5 26.00 2.90 -5 12 5 23.40 3.20 -5 12 5 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14.40 9 -3 -10 119.69 6.10 -9 -3 10 115.59 5.80 -9 3 10 119.79 6.00 9 3 -10 123.99 5.60 8 -3 -10 145.59 6.70 -8 -3 10 152.88 6.40 -8 3 10 145.59 6.60 8 3 -10 164.38 6.30 7 -3 -10 70.49 4.70 -7 -3 10 75.29 4.40 -7 -3 10 73.99 4.30 7 3 -10 71.59 4.20 -7 3 10 76.69 4.90 -7 3 10 70.39 4.40 -6 -3 10 122.99 5.50 6 -3 -10 121.69 6.00 -6 -3 10 129.39 5.50 6 3 -10 120.39 5.40 -6 3 10 119.69 5.90 -6 3 10 116.09 5.70 -5 -3 10 9.60 1.80 5 -3 -10 7.30 2.00 -5 -3 10 11.00 2.10 5 3 -10 9.60 2.10 -5 3 10 7.60 2.00 -5 3 10 15.60 2.60 -4 -3 10 37.10 2.90 -4 -3 10 30.20 3.10 4 -3 -10 33.10 3.80 -4 3 10 33.20 3.40 4 3 -10 33.60 3.40 -4 3 10 27.30 3.30 -3 -3 10 139.89 5.90 -3 -3 10 134.59 5.50 3 -3 -10 130.89 6.40 -3 3 10 140.29 6.10 -3 3 10 124.09 6.00 3 3 -10 132.29 5.80 -2 -3 10 178.78 6.70 -2 -3 10 177.28 6.90 2 -3 -10 183.48 7.70 -2 3 10 175.68 7.40 -2 3 10 197.78 7.50 2 3 -10 188.58 7.20 -1 -3 10 205.68 7.80 1 -3 -10 236.58 8.90 -1 -3 10 215.18 7.70 1 3 -10 211.08 8.00 -1 3 10 202.48 8.20 -1 3 10 233.28 8.40 0 -3 10 239.58 8.60 0 -3 -10 249.08 9.40 0 -3 10 261.17 9.10 0 3 -10 245.38 8.90 0 3 10 263.67 9.10 -1 -3 -10 104.79 6.20 1 -3 10 100.09 5.40 1 3 10 95.59 5.50 -1 3 -10 99.69 5.50 1 3 10 103.79 6.00 2 -3 10 369.96 11.80 -2 -3 -10 372.16 12.90 -2 3 -10 391.66 12.60 2 3 10 346.67 11.80 2 3 10 367.06 12.30 3 -3 10 235.38 9.20 -3 -3 -10 238.88 10.40 3 3 10 239.68 9.80 -3 3 -10 248.08 9.90 -4 -3 -10 35.40 4.90 4 -3 10 30.80 4.10 -4 3 -10 25.50 4.20 4 3 10 35.50 4.50 -5 -3 -10 167.08 9.20 5 -3 10 125.59 7.20 -5 3 -10 137.49 8.10 5 3 10 144.19 7.90 6 -3 10 2.90 2.20 -6 -3 -10 4.20 2.60 6 3 10 -0.30 2.10 -6 3 -10 4.40 2.40 -7 -3 -10 5.20 3.00 7 -3 10 5.40 2.70 -7 3 -10 4.90 2.60 7 3 10 5.80 3.00 8 -3 10 33.00 5.00 -8 -3 -10 36.60 6.00 -8 3 -10 44.60 6.50 8 3 10 34.50 5.30 -17 -4 10 12.00 4.40 17 -4 -10 8.00 2.90 -17 4 10 6.40 4.20 16 -4 -10 47.20 5.20 -16 -4 10 39.10 6.60 -16 4 10 46.20 7.10 -15 -4 10 30.60 5.50 15 -4 -10 36.30 4.70 15 4 -10 38.80 4.80 -15 4 10 32.80 5.70 14 -4 -10 34.60 4.50 -14 -4 10 52.99 6.50 -14 4 10 43.10 5.80 14 4 -10 34.60 4.00 -13 -4 10 1.10 2.20 13 -4 -10 -0.60 1.80 13 4 -10 0.60 1.90 -13 4 10 2.20 2.20 12 -4 -10 0.40 2.00 -12 -4 10 -0.90 1.60 12 4 -10 -2.40 1.30 -12 4 10 0.10 1.90 11 -4 -10 66.09 5.00 -11 -4 10 58.09 4.80 11 4 -10 62.09 4.30 -11 4 10 59.09 4.80 -10 -4 10 51.39 4.20 10 -4 -10 60.19 4.70 10 4 -10 50.49 3.80 -10 4 10 58.09 4.60 -9 -4 10 188.18 7.40 9 -4 -10 188.18 7.70 -9 4 10 195.38 7.90 9 4 -10 182.88 6.90 -8 -4 10 80.49 4.50 8 -4 -10 75.29 4.90 8 4 -10 69.69 4.00 -8 4 10 64.39 4.50 -8 4 10 67.39 4.80 -7 -4 10 407.16 11.50 7 -4 -10 396.66 12.20 -7 -4 10 418.96 11.70 -7 4 10 410.66 12.70 7 4 -10 413.26 11.20 -7 4 10 408.96 12.10 -6 -4 10 229.98 7.70 -6 -4 10 219.38 7.40 6 -4 -10 205.18 8.10 6 4 -10 217.28 7.40 -6 4 10 217.58 8.50 -6 4 10 203.68 7.80 5 -4 -10 152.68 6.90 -5 -4 10 165.38 6.10 -5 -4 10 165.18 6.30 5 4 -10 168.88 6.30 -5 4 10 163.98 6.80 -5 4 10 154.58 6.90 -4 -4 10 419.76 11.60 -4 -4 10 411.16 11.20 4 -4 -10 413.16 12.60 -4 4 10 434.56 12.80 -4 4 10 419.56 12.20 4 4 -10 440.86 11.80 3 -4 -10 1.10 1.50 -3 -4 10 1.90 1.10 -3 -4 10 2.60 1.50 -3 4 10 -0.30 1.10 3 4 -10 2.50 1.40 -3 4 10 2.40 1.70 -2 -4 10 9.90 2.10 2 -4 -10 10.70 2.50 2 4 -10 7.80 2.00 -2 4 10 8.50 2.10 -2 4 10 4.50 1.80 -1 -4 10 182.18 7.10 -1 -4 10 199.68 7.60 1 -4 -10 197.18 8.20 -1 4 10 205.18 8.20 1 4 -10 201.08 7.60 -1 4 10 200.68 7.80 0 -4 -10 53.39 4.30 0 -4 10 48.80 3.90 0 -4 10 52.49 3.80 0 4 10 53.49 4.20 0 4 -10 50.59 3.90 -1 -4 -10 37.40 4.30 1 -4 10 46.00 4.40 1 4 10 43.40 4.60 -1 4 -10 51.59 4.00 1 4 10 45.30 4.50 -2 -4 -10 5.00 2.30 2 -4 10 8.80 2.30 2 4 10 8.20 2.60 2 4 10 3.20 2.00 -2 4 -10 3.60 1.40 -3 -4 -10 185.18 9.00 3 -4 10 191.18 8.10 -3 4 -10 171.98 8.10 3 4 10 189.68 8.60 4 -4 10 17.20 3.20 -4 -4 -10 15.50 3.40 4 4 10 19.90 3.60 -4 4 -10 16.50 3.40 5 -4 10 2.90 1.90 -5 -4 -10 5.20 2.60 -5 4 -10 1.80 2.10 5 4 10 3.50 2.20 6 -4 10 107.59 7.00 -6 -4 -10 122.19 8.40 -6 4 -10 122.99 7.90 6 4 10 120.99 7.40 7 -4 10 11.00 3.10 -7 -4 -10 17.60 4.20 7 4 10 11.10 3.20 -7 4 -10 13.20 3.60 -8 -4 -10 119.99 9.30 8 -4 10 127.89 8.10 8 4 10 127.19 8.50 16 -5 -10 2.60 2.60 -16 -5 10 8.00 3.60 -16 5 10 10.30 4.20 -15 -5 10 4.50 3.00 15 -5 -10 -0.90 2.10 -15 5 10 0.20 2.40 -14 -5 10 192.38 10.50 14 -5 -10 187.98 8.80 -14 5 10 209.18 10.90 13 -5 -10 2.40 2.30 -13 -5 10 4.20 2.60 13 5 -10 5.20 1.90 -13 5 10 4.70 2.70 12 -5 -10 130.99 6.70 -12 -5 10 126.39 7.20 12 5 -10 115.79 5.70 -12 5 10 119.99 7.10 -11 -5 10 26.60 3.80 11 -5 -10 18.60 3.40 -11 5 10 21.00 3.50 11 5 -10 19.70 2.80 10 -5 -10 5.40 2.10 -10 -5 10 5.30 2.00 10 5 -10 4.70 1.80 -10 5 10 5.40 2.10 9 -5 -10 46.30 4.60 -9 -5 10 35.60 3.70 9 5 -10 41.00 3.30 -9 5 10 35.10 3.90 8 -5 -10 139.19 6.70 -8 -5 10 138.99 6.00 8 5 -10 124.99 5.40 -8 5 10 136.19 6.30 -8 5 10 140.99 7.00 7 -5 -10 37.40 4.00 -7 -5 10 43.70 3.40 -7 -5 10 49.20 3.40 -7 5 10 45.40 3.80 7 5 -10 45.60 3.30 -7 5 10 46.10 4.00 -6 -5 10 218.08 7.50 -6 -5 10 226.08 7.40 6 -5 -10 241.08 8.70 -6 5 10 220.98 8.10 -6 5 10 209.98 8.50 6 5 -10 214.68 7.20 5 -5 -10 29.20 3.50 -5 -5 10 34.40 3.40 -5 -5 10 32.00 2.60 -5 5 10 31.80 3.40 5 5 -10 31.10 3.00 -5 5 10 25.70 3.30 4 -5 -10 4.60 1.80 -4 -5 10 2.10 1.30 -4 -5 10 0.50 0.90 4 5 -10 1.50 1.20 -4 5 10 -1.00 1.20 -4 5 10 2.10 1.50 -3 -5 10 87.19 4.50 3 -5 -10 77.09 5.00 -3 -5 10 88.39 4.10 -3 5 10 86.89 5.30 -3 5 10 86.89 5.00 3 5 -10 88.69 4.50 2 -5 -10 955.60 23.30 -2 -5 10 945.61 21.60 -2 5 10 914.51 22.20 2 5 -10 948.21 21.70 -2 5 10 924.11 23.00 -1 -5 10 4.40 1.70 -1 -5 10 5.60 1.90 1 -5 -10 3.40 1.80 -1 5 10 2.20 1.80 1 5 -10 2.40 1.50 -1 5 10 1.10 1.60 0 -5 10 10.00 2.10 0 -5 -10 11.20 2.60 0 -5 10 12.20 2.40 0 5 -10 10.90 2.20 0 5 10 11.50 2.50 1 -5 10 378.46 11.90 -1 -5 -10 408.46 13.40 1 5 10 402.06 12.40 1 5 10 405.56 12.90 -1 5 -10 387.06 12.00 2 -5 10 33.20 3.90 -2 -5 -10 32.40 4.50 -2 5 -10 36.50 4.10 2 5 10 34.70 4.20 2 5 10 36.20 4.60 -3 -5 -10 16.30 3.60 3 -5 10 11.10 2.50 -3 5 -10 16.10 3.10 3 5 10 10.00 2.90 3 5 10 11.80 3.00 -4 -5 -10 317.47 12.90 4 -5 10 335.07 11.60 -4 5 -10 305.17 11.80 4 5 10 355.06 12.50 5 -5 10 11.10 2.90 -5 -5 -10 8.50 2.90 5 5 10 7.40 2.60 -5 5 -10 12.10 3.20 -6 -5 -10 131.19 8.60 6 -5 10 131.09 7.60 6 5 10 133.99 7.90 -6 5 -10 121.19 7.90 7 -5 10 3.10 2.20 -7 -5 -10 3.20 2.60 7 5 10 2.60 2.50 8 -5 10 16.30 3.80 -8 -5 -10 17.30 4.80 8 5 10 26.40 4.70 16 -6 -10 -0.70 2.10 -16 -6 10 2.80 3.40 -16 6 10 -2.10 2.80 15 -6 -10 1.50 2.10 -15 -6 10 -0.50 2.50 -15 6 10 4.10 3.00 14 -6 -10 4.50 2.40 -14 -6 10 1.80 2.50 -14 6 10 1.00 2.30 13 -6 -10 21.10 3.60 -13 -6 10 38.70 5.30 -13 6 10 21.10 4.00 -12 -6 10 89.69 6.20 12 -6 -10 99.99 6.20 -12 6 10 101.09 6.70 12 6 -10 96.49 6.00 11 -6 -10 2.10 2.10 -11 -6 10 2.70 1.90 11 6 -10 1.90 1.60 -11 6 10 4.20 2.10 -10 -6 10 8.80 2.30 10 -6 -10 9.80 2.80 -10 6 10 11.70 2.90 10 6 -10 8.00 2.00 -9 -6 10 121.49 5.70 9 -6 -10 115.79 6.30 9 6 -10 107.69 5.00 -9 6 10 115.49 6.20 8 -6 -10 446.16 13.30 -8 -6 10 434.96 12.10 -8 6 10 408.26 13.40 8 6 -10 440.06 11.50 -8 6 10 437.46 13.00 -7 -6 10 202.48 7.10 7 -6 -10 208.88 8.40 -7 -6 10 218.38 7.50 -7 6 10 212.08 8.80 -7 6 10 210.48 8.10 7 6 -10 212.88 7.00 -6 -6 10 105.19 5.00 -6 -6 10 110.29 4.70 6 -6 -10 109.99 6.00 6 6 -10 108.39 4.70 -6 6 10 110.89 6.00 -6 6 10 121.99 5.70 -5 -6 10 34.40 2.60 5 -6 -10 33.80 3.80 -5 -6 10 32.10 3.20 -5 6 10 31.50 3.80 -5 6 10 37.60 3.80 5 6 -10 39.00 2.90 4 -6 -10 29.20 3.70 -4 -6 10 26.80 2.30 -4 -6 10 26.90 2.90 -4 6 10 27.80 3.60 4 6 -10 28.30 2.80 -4 6 10 24.30 3.00 3 -6 -10 196.88 8.20 -3 -6 10 195.58 6.90 -3 -6 10 196.18 6.40 -3 6 10 189.78 8.00 -3 6 10 186.38 7.50 3 6 -10 198.88 6.90 -2 -6 10 382.66 10.80 2 -6 -10 354.56 12.00 2 6 -10 373.76 10.70 -2 6 10 382.46 12.20 -2 6 10 357.06 11.30 -1 -6 10 388.06 11.60 1 -6 -10 410.26 13.10 -1 -6 10 406.16 11.40 -1 6 10 419.06 12.40 1 6 -10 382.56 11.40 -1 6 10 405.76 13.10 0 -6 10 328.47 10.30 0 -6 -10 338.07 11.70 0 -6 10 338.07 10.20 0 6 -10 314.67 10.10 0 6 10 309.97 10.60 -1 -6 -10 4.00 2.00 1 -6 10 1.30 1.40 -1 6 -10 1.10 1.40 1 6 10 5.10 1.80 -2 -6 -10 55.29 5.70 2 -6 10 41.30 4.20 -2 6 -10 35.00 3.90 2 6 10 38.00 4.50 2 6 10 28.80 3.70 3 -6 10 91.99 5.60 -3 -6 -10 94.89 6.70 3 6 10 86.79 5.70 -3 6 -10 94.49 5.90 3 6 10 85.99 5.90 -4 -6 -10 56.19 6.10 4 -6 10 60.49 4.90 -4 6 -10 63.89 5.00 4 6 10 49.99 5.30 4 6 10 60.09 5.00 -5 -6 -10 27.50 4.50 5 -6 10 36.10 4.40 -5 6 -10 24.00 6.00 5 6 10 28.70 4.20 -6 -6 -10 12.50 3.50 6 -6 10 7.80 2.90 6 6 10 8.00 2.90 -7 -6 -10 17.30 4.30 7 -6 10 16.10 3.70 7 6 10 20.60 4.20 -8 -6 -10 16.50 4.70 8 -6 10 19.20 4.00 8 6 10 12.80 3.80 -16 -7 10 1.50 3.30 16 -7 -10 0.30 2.30 -16 7 10 2.00 3.30 -15 -7 10 82.89 8.80 15 -7 -10 79.39 6.00 -15 7 10 91.19 9.20 14 -7 -10 1.60 2.50 -14 -7 10 -1.00 2.00 -14 7 10 -3.30 1.80 13 -7 -10 234.28 9.90 -13 -7 10 255.87 11.30 -13 7 10 241.28 11.30 -12 -7 10 7.90 2.80 12 -7 -10 8.60 2.70 -12 7 10 5.90 2.40 -11 -7 10 47.30 4.90 11 -7 -10 49.20 5.10 -11 7 10 40.30 4.60 -10 -7 10 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7 -10 160.08 6.30 0 -7 10 52.09 3.80 0 -7 10 45.90 3.50 0 -7 -10 49.90 5.20 0 7 10 51.89 4.30 0 7 -10 49.10 3.50 -1 -7 -10 -0.70 1.40 1 -7 10 -0.80 1.20 1 7 10 -0.90 1.40 -1 7 -10 0.30 1.10 -2 -7 -10 10.20 2.80 2 -7 10 7.00 2.20 2 7 10 7.50 2.60 -2 7 -10 4.90 1.80 2 7 10 4.00 2.30 3 -7 10 126.69 6.60 -3 -7 -10 131.79 7.70 3 7 10 132.09 7.30 3 7 10 128.39 7.00 -4 -7 -10 3.20 2.20 4 -7 10 2.00 1.70 4 7 10 3.70 2.30 4 7 10 5.50 2.50 -5 -7 -10 459.75 16.90 5 -7 10 463.35 14.70 5 7 10 452.25 15.40 6 -7 10 5.60 2.50 -6 -7 -10 -0.10 2.40 6 7 10 1.60 2.50 -7 -7 -10 1.70 2.60 7 -7 10 1.80 2.40 7 7 10 0.40 2.40 -8 -7 -10 2.70 2.80 8 -7 10 1.80 2.40 8 7 10 0.10 2.40 16 -8 -10 3.80 2.90 -16 -8 10 1.60 3.00 -16 8 10 -1.00 3.20 15 -8 -10 15.90 3.60 -15 -8 10 10.90 4.10 -15 8 10 20.80 5.00 14 -8 -10 1.50 2.40 -14 -8 10 1.90 2.70 -14 8 10 3.20 2.80 -13 -8 10 2.70 2.50 13 -8 -10 7.20 2.70 -13 8 10 4.10 2.70 12 -8 -10 108.09 6.40 -12 -8 10 108.79 6.90 -12 8 10 108.39 7.10 11 -8 -10 2.20 1.90 -11 -8 10 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5.90 4 3 -14 93.59 5.80 -4 3 14 84.29 6.10 -4 3 14 77.89 5.60 3 -3 -14 77.99 6.00 -3 -3 14 84.29 5.80 -3 3 14 87.59 6.10 -3 3 14 77.49 5.80 3 3 -14 77.39 5.50 -2 -3 14 114.99 6.70 2 -3 -14 107.69 7.20 2 3 -14 104.59 6.50 -2 3 14 110.59 7.00 1 -3 -14 97.19 6.90 -1 -3 14 98.89 6.40 -1 3 14 95.29 6.60 1 3 -14 104.89 6.70 0 -3 14 122.39 7.20 0 -3 -14 141.29 8.40 0 3 -14 128.39 7.50 0 3 14 122.59 7.40 1 -3 14 30.80 4.60 -1 -3 -14 28.10 4.80 1 3 14 33.80 5.00 -1 3 -14 31.20 4.50 -2 -3 -14 6.90 2.90 2 -3 14 3.20 2.50 2 -3 14 10.20 3.30 2 3 14 6.40 3.00 3 -3 14 67.99 7.10 3 -3 14 67.19 6.90 -3 -3 -14 72.69 7.70 3 3 14 67.09 6.90 4 -3 14 43.80 5.70 -4 -3 -14 45.80 6.40 4 -3 14 42.80 5.90 4 3 14 49.00 6.50 4 3 14 50.79 6.40 -15 -4 14 1.80 2.80 15 -4 -14 1.10 2.60 -15 4 14 1.80 2.90 14 -4 -14 -2.60 2.00 -14 -4 14 -0.90 2.20 -14 4 14 2.60 2.80 -13 -4 14 48.40 5.60 13 -4 -14 48.40 5.50 -13 4 14 45.30 5.90 -13 4 14 43.40 5.70 -12 -4 14 3.40 2.30 12 -4 -14 3.50 2.60 -12 -4 14 2.20 2.30 -12 4 14 3.40 2.80 -12 4 14 -0.50 2.20 -11 -4 14 78.59 5.90 -11 -4 14 73.79 5.80 11 -4 -14 85.79 6.30 -11 4 14 91.09 6.90 -11 4 14 87.69 6.20 -10 -4 14 40.80 4.60 10 -4 -14 52.39 5.70 -10 -4 14 46.20 4.90 -10 4 14 54.79 6.10 -10 4 14 46.00 5.20 -9 -4 14 258.17 10.10 9 -4 -14 266.37 10.90 -9 -4 14 262.37 9.90 9 4 -14 273.77 11.30 -9 4 14 241.88 10.90 -9 4 14 255.17 10.60 -8 -4 14 134.69 6.80 -8 -4 14 142.29 7.20 8 -4 -14 157.98 8.20 -8 4 14 143.69 8.00 -8 4 14 139.59 7.70 8 4 -14 137.89 7.50 -7 -4 14 18.30 3.00 7 -4 -14 19.40 3.60 -7 -4 14 24.50 3.70 -7 4 14 20.60 3.80 7 4 -14 15.00 2.90 -7 4 14 19.10 3.60 -6 -4 14 283.17 9.90 -6 -4 14 269.67 10.30 6 -4 -14 271.27 11.20 6 4 -14 273.67 10.00 -6 4 14 259.17 10.50 -6 4 14 275.17 11.10 -5 -4 14 28.90 4.00 5 -4 -14 23.60 3.90 -5 -4 14 22.50 3.20 -5 4 14 22.20 3.70 5 4 -14 28.40 3.80 -5 4 14 24.50 3.90 4 -4 -14 140.89 7.90 -4 -4 14 146.99 7.40 4 4 -14 142.29 7.20 -4 4 14 150.08 8.00 -4 4 14 142.19 7.60 -3 -4 14 162.18 7.90 3 -4 -14 176.78 9.10 -3 4 14 160.78 8.40 3 4 -14 161.88 7.90 -3 4 14 179.18 8.70 2 -4 -14 5.70 2.50 -2 -4 14 5.80 2.40 -2 4 14 3.40 2.20 2 4 -14 6.50 2.40 -1 -4 14 14.70 3.20 1 -4 -14 11.70 3.30 -1 4 14 11.20 3.10 1 4 -14 12.10 4.10 0 -4 14 10.00 2.90 0 -4 -14 17.90 3.80 0 4 14 11.30 3.10 -1 -4 -14 49.60 6.10 1 -4 14 54.89 5.60 1 4 14 63.69 6.60 -2 -4 -14 21.90 4.40 2 -4 14 36.20 4.70 2 -4 14 28.70 4.70 2 4 14 34.70 5.20 3 -4 14 9.80 3.60 -3 -4 -14 5.80 3.00 3 -4 14 0.80 2.30 3 4 14 6.10 3.00 -4 -4 -14 8.00 3.40 4 -4 14 10.10 3.30 4 -4 14 7.10 3.20 4 4 14 1.70 2.80 4 4 14 10.20 3.80 -15 -5 14 3.00 2.90 15 -5 -14 1.90 2.60 -15 5 14 -2.20 2.30 14 -5 -14 93.19 6.90 -14 -5 14 93.49 7.30 -14 5 14 93.39 7.60 -13 -5 14 0.70 2.30 13 -5 -14 4.80 2.90 -13 5 14 2.70 2.70 12 -5 -14 -2.30 2.20 -12 -5 14 0.30 2.10 -12 -5 14 -1.70 1.80 -12 5 14 -1.70 1.80 -12 5 14 -2.70 1.80 11 -5 -14 87.69 6.30 -11 -5 14 96.99 6.20 -11 -5 14 97.39 6.40 -11 5 14 102.39 6.90 -11 5 14 84.99 6.70 -10 -5 14 14.90 3.10 -10 -5 14 18.20 3.40 10 -5 -14 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-17 16.60 3.70 -7 -1 17 13.10 3.10 7 1 -17 14.10 4.50 -7 1 17 18.50 4.00 -7 1 17 13.90 3.50 -6 -1 17 3.60 2.70 -6 -1 17 3.40 2.00 6 -1 -17 3.80 2.40 -6 1 17 0.10 1.80 6 1 -17 3.30 2.80 -6 1 17 3.10 2.70 5 -1 -17 31.60 4.90 -5 -1 17 38.90 5.30 5 1 -17 30.50 6.90 -5 1 17 37.80 5.50 4 -1 -17 139.79 8.70 -4 -1 17 149.79 8.80 -4 1 17 170.78 9.40 -3 -1 17 22.30 4.30 3 -1 -17 22.80 4.50 -3 1 17 26.40 4.80 2 -1 -17 2.80 2.40 -2 -1 17 -0.90 1.80 -2 1 17 0.30 2.50 12 -2 -17 4.20 3.00 -12 -2 17 8.40 3.50 -12 2 17 13.30 3.90 -11 -2 17 -2.70 2.20 11 -2 -17 2.30 2.70 -11 -2 17 0.60 2.20 -11 2 17 0.90 2.30 -10 -2 17 41.30 5.60 -10 -2 17 31.30 4.60 10 -2 -17 43.90 5.50 -10 2 17 49.40 6.00 -9 -2 17 49.10 5.90 9 -2 -17 54.29 6.20 -9 -2 17 45.00 5.20 -9 2 17 55.19 6.80 -9 2 17 48.80 5.90 8 -2 -17 2.80 2.60 -8 -2 17 -1.50 2.00 -8 -2 17 -0.20 1.70 -8 2 17 1.40 2.10 -8 2 17 -2.20 2.20 7 -2 -17 7.60 3.10 -7 -2 17 2.70 2.40 -7 -2 17 4.00 2.30 -7 2 17 6.30 2.80 -7 2 17 3.40 2.90 6 -2 -17 111.59 7.60 -6 -2 17 118.29 7.20 -6 -2 17 113.59 7.60 -6 2 17 109.69 7.90 -6 2 17 105.69 7.30 5 -2 -17 28.80 4.60 -5 -2 17 25.70 4.30 -5 2 17 25.90 4.70 -4 -2 17 123.19 7.90 4 -2 -17 101.69 7.50 -4 2 17 107.19 7.80 3 -2 -17 51.49 6.30 -3 -2 17 43.20 5.70 -3 2 17 33.50 5.40 -2 -2 17 7.60 3.20 2 -2 -17 7.20 3.00 -2 2 17 14.60 3.70 -12 -3 17 28.20 4.80 12 -3 -17 25.90 4.80 -12 3 17 21.60 4.60 -11 -3 17 120.99 7.90 11 -3 -17 120.39 8.00 -11 3 17 130.89 8.40 10 -3 -17 11.50 3.70 -10 -3 17 8.60 3.20 -10 -3 17 11.40 4.90 -10 3 17 12.20 3.70 -9 -3 17 7.90 3.00 9 -3 -17 11.20 3.50 -9 -3 17 7.50 4.00 -9 3 17 11.60 3.70 8 -3 -17 118.39 8.00 -8 -3 17 109.99 7.40 -8 3 17 137.59 14.00 -8 3 17 122.59 8.10 7 -3 -17 3.90 2.80 -7 -3 17 4.10 2.70 -7 3 17 4.90 2.90 -7 3 17 1.90 2.40 6 -3 -17 85.19 8.10 -6 -3 17 56.79 6.10 -6 3 17 66.89 7.20 -6 3 17 74.19 7.90 5 -3 -17 61.79 6.90 -5 -3 17 55.99 6.20 -5 3 17 57.39 6.60 4 -3 -17 6.80 2.80 -4 -3 17 2.80 2.60 -4 3 17 7.60 3.30 -3 -3 17 24.30 4.40 3 -3 -17 27.80 5.00 -3 3 17 20.00 4.20 -2 -3 17 5.10 2.70 2 -3 -17 13.30 3.80 -2 3 17 4.70 3.00 12 -4 -17 88.69 7.20 -12 -4 17 80.39 6.80 -12 4 17 85.09 7.30 -11 -4 17 34.50 5.00 11 -4 -17 35.20 5.50 -11 4 17 36.60 5.50 -10 -4 17 2.80 2.60 10 -4 -17 2.50 2.70 -10 4 17 4.20 2.80 -9 -4 17 0.70 2.30 9 -4 -17 2.90 2.70 -9 4 17 7.20 3.30 -8 -4 17 20.40 4.10 8 -4 -17 23.70 4.70 -8 4 17 19.70 4.40 7 -4 -17 8.30 3.20 -7 -4 17 6.00 2.90 -7 4 17 11.00 3.70 -6 -4 17 24.90 4.40 6 -4 -17 29.70 4.90 -6 4 17 35.10 5.10 5 -4 -17 46.80 6.10 -5 -4 17 35.40 5.10 -5 4 17 55.89 6.60 4 -4 -17 3.90 2.70 -4 -4 17 -0.40 2.20 -4 4 17 -0.50 2.20 -3 -4 17 22.90 4.60 3 -4 -17 26.90 4.70 -3 4 17 23.90 4.80 -2 -4 17 274.17 12.10 2 -4 -17 280.67 13.20 -2 4 17 253.97 12.30 -12 -5 17 2.10 2.70 12 -5 -17 2.50 2.60 -12 5 17 5.50 3.40 -11 -5 17 -2.90 2.10 11 -5 -17 -3.50 2.30 -11 5 17 -0.10 2.50 10 -5 -17 24.10 4.70 -10 -5 17 24.10 4.30 -10 5 17 20.60 4.30 9 -5 -17 98.09 7.40 -9 -5 17 98.39 7.10 -9 5 17 108.79 7.90 -8 -5 17 16.50 3.80 8 -5 -17 11.60 3.70 -8 5 17 10.90 3.70 -7 -5 17 237.78 10.70 7 -5 -17 253.07 11.70 -7 5 17 263.47 11.90 6 -5 -17 2.10 2.70 -6 -5 17 -2.70 2.00 -6 5 17 -2.00 2.40 -5 -5 17 10.30 3.30 5 -5 -17 7.90 3.10 -5 5 17 5.20 3.20 -4 -5 17 24.60 4.30 4 -5 -17 20.70 4.40 -4 5 17 26.30 4.90 -3 -5 17 20.90 4.20 3 -5 -17 26.10 4.70 -3 5 17 15.00 3.70 -2 -5 17 6.70 3.10 2 -5 -17 14.90 4.00 -2 5 17 14.70 4.30 11 -6 -17 7.20 3.30 -11 -6 17 2.30 2.80 -11 6 17 4.90 3.10 10 -6 -17 -0.10 2.80 -10 -6 17 -0.60 2.20 -10 6 17 0.90 2.50 -9 -6 17 82.39 6.70 9 -6 -17 95.19 7.70 -9 6 17 81.69 6.80 -8 -6 17 33.70 5.00 8 -6 -17 33.10 5.30 -8 6 17 26.70 4.60 7 -6 -17 20.10 4.40 -7 -6 17 11.40 3.40 -7 6 17 15.50 4.10 -6 -6 17 -1.70 2.20 6 -6 -17 -2.20 1.80 -6 6 17 -4.20 2.10 -5 -6 17 2.20 2.40 5 -6 -17 3.10 2.60 -5 6 17 -3.00 2.40 -4 -6 17 23.50 4.30 4 -6 -17 27.70 5.00 -4 6 17 24.00 4.60 -3 -6 17 97.89 7.10 3 -6 -17 105.29 8.20 -3 6 17 99.89 7.70 11 -7 -17 0.30 2.80 -11 -7 17 4.50 2.60 -11 7 17 1.70 2.90 10 -7 -17 15.80 4.20 -10 -7 17 8.00 3.00 -10 7 17 14.90 4.00 9 -7 -17 4.60 2.90 -9 -7 17 -2.20 2.00 -9 7 17 -3.60 2.20 8 -7 -17 255.77 12.10 -8 -7 17 225.18 10.40 -8 7 17 239.08 11.60 7 -7 -17 5.90 3.30 -7 -7 17 -0.50 2.30 -7 7 17 -0.90 2.20 -6 -7 17 83.39 6.60 6 -7 -17 101.89 7.70 -6 7 17 102.99 7.80 -5 -7 17 -0.40 2.20 5 -7 -17 0.20 2.40 -5 7 17 -3.10 2.40 4 -7 -17 17.90 4.30 -4 -7 17 16.50 3.50 -4 7 17 11.60 3.60 3 -7 -17 22.30 4.60 -3 -7 17 19.30 4.00 -3 7 17 29.30 5.10 10 -8 -17 2.50 2.90 -10 -8 17 -1.30 2.00 -10 8 17 1.40 2.60 9 -8 -17 67.99 7.50 -9 -8 17 64.99 6.40 -9 8 17 67.49 7.10 -8 -8 17 1.90 2.20 8 -8 -17 2.30 2.70 -8 8 17 2.50 2.90 7 -8 -17 3.20 3.10 -7 -8 17 5.40 2.80 -7 8 17 2.20 2.80 -6 -8 17 2.00 2.40 6 -8 -17 3.30 2.70 -6 8 17 2.70 2.90 5 -8 -17 21.00 4.60 -5 -8 17 22.70 4.00 -5 8 17 22.90 4.70 4 -8 -17 20.10 4.70 -4 -8 17 19.30 3.90 -4 8 17 14.80 3.90 9 -9 -17 45.50 6.20 -9 -9 17 50.29 5.70 -9 9 17 45.30 5.80 8 -9 -17 24.50 4.90 -8 -9 17 19.00 3.80 -8 9 17 15.90 4.20 -7 -9 17 75.79 6.10 7 -9 -17 83.39 8.40 -7 9 17 72.09 7.20 6 -9 -17 3.60 2.90 -6 9 17 -1.50 2.40 -5 -9 17 22.20 4.00 5 -9 -17 19.40 4.40 -5 9 17 20.90 4.40 -10 0 18 46.30 6.00 -9 0 18 0.20 2.70 -8 0 18 252.77 11.80 -7 0 18 -0.90 2.30 -6 0 18 53.59 6.60 -5 0 18 0.80 2.50 10 -1 -18 6.90 3.50 -10 -1 18 5.00 3.00 -10 1 18 4.40 3.10 -9 -1 18 36.00 5.30 9 -1 -18 35.60 5.40 -9 1 18 34.90 5.20 -8 -1 18 1.50 2.70 -8 -1 18 8.40 3.60 8 -1 -18 4.50 2.90 -8 1 18 1.40 2.80 -7 -1 18 4.80 2.80 -7 -1 18 3.80 3.00 7 -1 -18 11.20 3.40 -7 1 18 9.80 3.60 6 -1 -18 4.50 2.70 -6 -1 18 -0.40 2.50 -6 1 18 0.80 2.50 -5 -1 18 2.60 2.50 5 -1 -18 -1.90 1.90 -5 1 18 -0.30 2.10 10 -2 -18 7.80 3.30 -10 -2 18 6.00 3.10 -10 2 18 2.00 2.90 -9 -2 18 170.18 9.60 9 -2 -18 168.38 9.60 -9 2 18 179.18 10.10 -8 -2 18 5.80 3.10 8 -2 -18 10.30 3.50 -8 2 18 8.90 3.70 -7 -2 18 159.68 9.10 7 -2 -18 147.29 9.10 -7 2 18 136.89 8.60 -6 -2 18 -1.60 2.20 6 -2 -18 1.30 2.40 -6 2 18 -0.90 2.40 5 -2 -18 5.70 3.10 -5 -2 18 5.40 3.00 -5 2 18 3.50 2.80 -10 -3 18 51.19 6.20 10 -3 -18 62.39 6.80 -10 3 18 67.99 7.20 9 -3 -18 11.50 3.70 -9 -3 18 7.20 3.20 -9 3 18 11.20 3.60 -8 -3 18 8.00 3.20 8 -3 -18 3.30 2.80 -8 3 18 7.80 3.40 7 -3 -18 0.60 2.60 -7 -3 18 5.90 3.00 -7 3 18 4.10 2.90 6 -3 -18 28.10 4.80 -6 -3 18 23.90 4.50 -6 3 18 36.30 5.60 5 -3 -18 65.59 7.20 -5 -3 18 77.69 7.50 -5 3 18 67.59 7.40 -9 -4 18 -1.40 2.10 9 -4 -18 0.60 2.70 -9 4 18 1.10 2.50 -8 -4 18 70.09 7.10 8 -4 -18 58.99 6.80 -8 4 18 54.89 6.70 7 -4 -18 16.10 4.10 -7 -4 18 9.70 3.40 -7 4 18 8.80 3.40 6 -4 -18 41.10 5.90 -6 -4 18 45.70 6.00 -6 4 18 33.90 5.50 8 -5 -18 4.70 3.10 -8 -5 18 -0.70 2.40 -8 5 18 3.40 3.20 7 -5 -18 3.10 2.80 -7 -5 18 -0.90 2.20 -7 5 18 -0.20 2.60 _computing_structure_solution 'SHELXT 2014/4 (Sheldrick, 2014)' ; _shelx_hkl_checksum 32223 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, -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_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group C1 C 0.1565(3) 0.41182(16) 0.0353(2) 0.0229(5) Uani 1 1 d . . . . . C2 C 0.1979(3) 0.43353(17) -0.0437(2) 0.0266(6) Uani 1 1 d . . . . . H2 H 0.2812 0.4411 -0.0205 0.032 Uiso 1 1 calc R U . . . C3 C 0.1174(3) 0.44390(17) -0.1554(2) 0.0288(6) Uani 1 1 d . . . . . H3 H 0.1478 0.4583 -0.2078 0.035 Uiso 1 1 calc R U . . . N1 N -0.0014(2) 0.43493(15) -0.1948(2) 0.0299(5) Uani 1 1 d . . . . . C4 C -0.0417(3) 0.41422(19) -0.1196(3) 0.0313(6) Uani 1 1 d . . . . . H4 H -0.1255 0.4068 -0.1458 0.038 Uiso 1 1 calc R U . . . C5 C 0.0328(3) 0.40297(18) -0.0050(2) 0.0285(6) Uani 1 1 d . . . . . H5 H -0.0002 0.3893 0.0456 0.034 Uiso 1 1 calc R U . . . C6 C 0.2394(2) 0.39724(16) 0.1560(2) 0.0236(5) Uani 1 1 d . . . . . C7 C 0.3492(3) 0.36268(16) 0.1842(2) 0.0246(5) Uani 1 1 d . . . . . H7 H 0.3709 0.3491 0.1254 0.030 Uiso 1 1 calc R U . . . C8 C 0.4283(2) 0.34755(16) 0.2972(2) 0.0231(5) Uani 1 1 d . . . . . C9 C 0.4005(3) 0.37024(16) 0.3861(2) 0.0244(5) Uani 1 1 d . . . . . C10 C 0.2894(3) 0.40395(19) 0.3564(2) 0.0299(6) Uani 1 1 d . . . . . H10 H 0.2680 0.4185 0.4149 0.036 Uiso 1 1 calc R U . . . C11 C 0.2091(3) 0.41698(18) 0.2439(2) 0.0278(6) Uani 1 1 d . . . . . H11 H 0.1336 0.4393 0.2265 0.033 Uiso 1 1 calc R U . . . C12 C 0.4843(3) 0.36238(16) 0.5085(2) 0.0237(5) Uani 1 1 d . . . . . C13 C 0.5510(3) 0.29815(18) 0.5564(3) 0.0319(6) Uani 1 1 d . . . . . H13 H 0.5463 0.2561 0.5101 0.038 Uiso 1 1 calc R U . . . C14 C 0.6241(3) 0.2963(2) 0.6721(3) 0.0351(7) Uani 1 1 d . . . . . H14 H 0.6681 0.2518 0.7032 0.042 Uiso 1 1 calc R U . . . N2 N 0.6367(3) 0.35297(16) 0.7425(2) 0.0335(6) Uani 1 1 d . . . . . C15 C 0.5740(3) 0.41457(19) 0.6969(2) 0.0316(6) Uani 1 1 d . . . . . H15 H 0.5824 0.4560 0.7454 0.038 Uiso 1 1 calc R U . . . C16 C 0.4973(3) 0.42142(18) 0.5827(2) 0.0289(6) Uani 1 1 d . . . . . H16 H 0.4534 0.4664 0.5547 0.035 Uiso 1 1 calc R U . . . N3 N 0.5414(2) 0.31207(14) 0.32766(19) 0.0251(5) Uani 1 1 d . . . . . N4 N 0.5463(2) 0.27630(14) 0.2477(2) 0.0264(5) Uani 1 1 d . . . . . C17 C 0.6579(3) 0.24030(16) 0.2749(2) 0.0246(5) Uani 1 1 d . . . . . C18 C 0.7545(3) 0.23925(17) 0.3829(3) 0.0275(6) Uani 1 1 d . . . . . H18 H 0.7493 0.2642 0.4447 0.033 Uiso 1 1 calc R U . . . C19 C 0.8582(3) 0.20124(19) 0.3986(3) 0.0350(7) Uani 1 1 d . . . . . H19 H 0.9247 0.2001 0.4715 0.042 Uiso 1 1 calc R U . . . C20 C 0.8647(3) 0.1646(2) 0.3069(3) 0.0411(8) Uani 1 1 d . . . . . H20 H 0.9357 0.1384 0.3183 0.049 Uiso 1 1 calc R U . . . C21 C 0.7699(3) 0.1660(2) 0.2009(3) 0.0414(8) Uani 1 1 d . . . . . H21 H 0.7758 0.1412 0.1392 0.050 Uiso 1 1 calc R U . . . C22 C 0.6646(3) 0.20386(18) 0.1837(3) 0.0321(6) Uani 1 1 d . . . . . H22 H 0.5984 0.2047 0.1105 0.038 Uiso 1 1 calc R U . . . C23 C 0.7640(3) 0.38319(18) 0.1539(2) 0.0270(6) Uani 1 1 d . . . . . I1 I 0.71353(2) 0.35922(2) -0.01774(2) 0.03204(7) Uani 1 1 d . . . . . C24 C 0.8770(3) 0.36540(18) 0.2359(2) 0.0274(6) Uani 1 1 d . . . . . F1 F 0.95522(17) 0.32947(12) 0.20680(16) 0.0372(4) Uani 1 1 d . . . . . C25 C 0.9123(3) 0.38221(18) 0.3489(2) 0.0267(6) Uani 1 1 d . . . . . F2 F 1.02281(17) 0.36108(12) 0.42443(15) 0.0375(4) Uani 1 1 d . . . . . C26 C 0.8372(3) 0.41745(17) 0.3863(2) 0.0267(6) Uani 1 1 d . . . . . I2 I 0.88777(2) 0.43216(2) 0.55963(2) 0.03190(7) Uani 1 1 d . . . . . C27 C 0.7240(3) 0.43697(17) 0.3030(3) 0.0275(6) Uani 1 1 d . . . . . F3 F 0.64583(18) 0.47219(12) 0.33218(17) 0.0384(4) Uani 1 1 d . . . . . C28 C 0.6882(3) 0.42000(18) 0.1895(2) 0.0278(6) Uani 1 1 d . . . . . F4 F 0.57736(18) 0.43982(13) 0.11364(17) 0.0426(5) Uani 1 1 d . . . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 C1 0.0231(12) 0.0239(13) 0.0199(12) 0.0007(10) 0.0077(10) 0.0036(10) C2 0.0242(13) 0.0294(15) 0.0250(13) 0.0001(11) 0.0097(11) -0.0003(11) C3 0.0359(16) 0.0300(16) 0.0214(13) 0.0020(11) 0.0133(12) 0.0016(12) N1 0.0308(13) 0.0353(14) 0.0204(11) 0.0020(10) 0.0082(10) 0.0034(11) C4 0.0244(14) 0.0422(18) 0.0238(13) 0.0048(12) 0.0073(11) 0.0023(13) C5 0.0260(14) 0.0351(16) 0.0243(13) 0.0046(12) 0.0109(11) 0.0021(12) C6 0.0228(12) 0.0261(14) 0.0211(12) 0.0011(10) 0.0087(10) 0.0017(11) C7 0.0234(13) 0.0296(15) 0.0204(12) -0.0012(10) 0.0092(10) 0.0019(11) C8 0.0227(13) 0.0257(14) 0.0199(12) 0.0000(10) 0.0083(10) 0.0023(10) C9 0.0268(13) 0.0271(14) 0.0191(12) 0.0001(10) 0.0099(10) 0.0018(11) C10 0.0316(15) 0.0398(17) 0.0210(12) 0.0002(12) 0.0141(11) 0.0077(13) C11 0.0241(13) 0.0356(16) 0.0241(13) 0.0017(11) 0.0110(11) 0.0063(12) C12 0.0246(13) 0.0285(15) 0.0180(11) 0.0011(10) 0.0092(10) 0.0013(11) C13 0.0379(16) 0.0312(16) 0.0244(13) -0.0011(12) 0.0115(12) 0.0054(13) C14 0.0363(17) 0.0399(18) 0.0251(14) 0.0035(13) 0.0097(12) 0.0097(14) N2 0.0334(14) 0.0443(16) 0.0188(11) -0.0006(10) 0.0076(10) 0.0008(12) C15 0.0385(17) 0.0350(17) 0.0198(13) -0.0032(11) 0.0115(12) -0.0008(13) C16 0.0377(16) 0.0291(15) 0.0220(13) 0.0005(11) 0.0148(12) 0.0043(12) N3 0.0244(11) 0.0314(13) 0.0192(10) -0.0008(9) 0.0091(9) 0.0024(10) N4 0.0251(11) 0.0301(13) 0.0217(10) -0.0006(9) 0.0081(9) 0.0028(10) C17 0.0227(12) 0.0248(14) 0.0271(13) 0.0004(11) 0.0115(11) 0.0011(11) C18 0.0256(13) 0.0274(15) 0.0269(13) 0.0011(11) 0.0090(11) -0.0017(11) C19 0.0243(14) 0.0391(18) 0.0371(16) 0.0050(14) 0.0094(13) 0.0015(13) C20 0.0272(15) 0.049(2) 0.051(2) 0.0052(17) 0.0208(15) 0.0111(14) C21 0.0404(19) 0.046(2) 0.046(2) -0.0084(16) 0.0261(16) 0.0063(16) C22 0.0312(15) 0.0351(17) 0.0297(14) -0.0028(12) 0.0131(12) 0.0034(13) C23 0.0270(14) 0.0345(16) 0.0193(12) 0.0011(11) 0.0099(11) -0.0031(12) I1 0.02785(10) 0.04771(14) 0.01864(9) -0.00242(7) 0.00837(7) -0.00575(8) C24 0.0248(13) 0.0365(17) 0.0225(13) 0.0001(11) 0.0117(11) -0.0003(12) F1 0.0309(9) 0.0574(12) 0.0276(9) -0.0003(8) 0.0167(8) 0.0085(9) C25 0.0238(13) 0.0347(16) 0.0189(12) 0.0034(11) 0.0069(10) 0.0003(11) F2 0.0282(9) 0.0564(13) 0.0225(8) 0.0044(8) 0.0062(7) 0.0110(9) C26 0.0337(15) 0.0276(15) 0.0192(12) 0.0000(10) 0.0118(11) -0.0012(12) I2 0.03895(12) 0.03619(12) 0.02092(9) -0.00289(7) 0.01340(8) -0.00016(8) C27 0.0291(14) 0.0289(15) 0.0272(14) 0.0004(11) 0.0147(12) 0.0009(11) F3 0.0369(10) 0.0452(12) 0.0368(10) -0.0028(9) 0.0195(9) 0.0093(9) C28 0.0235(13) 0.0344(16) 0.0234(13) 0.0022(11) 0.0084(11) 0.0018(11) F4 0.0262(9) 0.0647(14) 0.0300(10) 0.0042(9) 0.0060(8) 0.0102(9) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' I I -0.4742 1.8119 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 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 C5 C1 C2 116.8(3) . . ? C5 C1 C6 121.3(3) . . ? C2 C1 C6 121.9(3) . . ? C3 C2 C1 119.5(3) . . ? C3 C2 H2 120.2 . . ? C1 C2 H2 120.2 . . ? N1 C3 C2 123.9(3) . . ? N1 C3 H3 118.0 . . ? C2 C3 H3 118.0 . . ? C4 N1 C3 116.9(3) . . ? N1 C4 C5 123.2(3) . . ? N1 C4 H4 118.4 . . ? C5 C4 H4 118.4 . . ? C4 C5 C1 119.6(3) . . ? C4 C5 H5 120.2 . . ? C1 C5 H5 120.2 . . ? C7 C6 C11 118.5(3) . . ? C7 C6 C1 120.3(2) . . ? C11 C6 C1 121.2(3) . . ? C6 C7 C8 121.4(3) . . ? C6 C7 H7 119.3 . . ? C8 C7 H7 119.3 . . ? C7 C8 C9 120.3(3) . . ? C7 C8 N3 122.1(2) . . ? C9 C8 N3 117.5(2) . . ? C10 C9 C8 117.6(3) . . ? C10 C9 C12 118.8(2) . . ? C8 C9 C12 123.6(3) . . ? C11 C10 C9 122.1(3) . . ? C11 C10 H10 118.9 . . ? C9 C10 H10 118.9 . . ? C10 C11 C6 120.1(3) . . ? C10 C11 H11 120.0 . . ? C6 C11 H11 120.0 . . ? C13 C12 C16 116.5(3) . . ? C13 C12 C9 124.1(3) . . ? C16 C12 C9 119.5(3) . . ? C14 C13 C12 119.2(3) . . ? C14 C13 H13 120.4 . . ? C12 C13 H13 120.4 . . ? N2 C14 C13 124.1(3) . . ? N2 C14 H14 118.0 . . ? C13 C14 H14 118.0 . . ? C15 N2 C14 116.8(3) . . ? N2 C15 C16 123.3(3) . . ? N2 C15 H15 118.3 . . ? C16 C15 H15 118.3 . . ? C15 C16 C12 120.0(3) . . ? C15 C16 H16 120.0 . . ? C12 C16 H16 120.0 . . ? N4 N3 C8 113.3(2) . . ? N3 N4 C17 114.8(2) . . ? C22 C17 C18 120.9(3) . . ? C22 C17 N4 114.4(3) . . ? C18 C17 N4 124.7(3) . . ? C19 C18 C17 119.0(3) . . ? C19 C18 H18 120.5 . . ? C17 C18 H18 120.5 . . ? C18 C19 C20 120.0(3) . . ? C18 C19 H19 120.0 . . ? C20 C19 H19 120.0 . . ? C21 C20 C19 120.9(3) . . ? C21 C20 H20 119.6 . . ? C19 C20 H20 119.6 . . ? C20 C21 C22 119.9(3) . . ? C20 C21 H21 120.0 . . ? C22 C21 H21 120.0 . . ? C17 C22 C21 119.3(3) . . ? C17 C22 H22 120.4 . . ? C21 C22 H22 120.4 . . ? C24 C23 C28 117.2(3) . . ? C24 C23 I1 120.9(2) . . ? C28 C23 I1 121.9(2) . . ? F1 C24 C25 118.4(3) . . ? F1 C24 C23 120.1(3) . . ? C25 C24 C23 121.5(3) . . ? F2 C25 C24 118.0(3) . . ? F2 C25 C26 119.8(2) . . ? C24 C25 C26 122.2(3) . . ? C25 C26 C27 116.3(3) . . ? C25 C26 I2 120.9(2) . . ? C27 C26 I2 122.6(2) . . ? F3 C27 C28 118.3(3) . . ? F3 C27 C26 120.0(3) . . ? C28 C27 C26 121.7(3) . . ? F4 C28 C27 118.6(3) . . ? F4 C28 C23 120.2(3) . . ? C27 C28 C23 121.2(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 C1 C5 1.395(4) . ? C1 C2 1.395(4) . ? C1 C6 1.481(4) . ? C2 C3 1.373(4) . ? C2 H2 0.9500 . ? C3 N1 1.340(4) . ? C3 H3 0.9500 . ? N1 C4 1.334(4) . ? C4 C5 1.389(4) . ? C4 H4 0.9500 . ? C5 H5 0.9500 . ? C6 C7 1.389(4) . ? C6 C11 1.401(4) . ? C7 C8 1.396(4) . ? C7 H7 0.9500 . ? C8 C9 1.408(4) . ? C8 N3 1.428(4) . ? C9 C10 1.394(4) . ? C9 C12 1.485(4) . ? C10 C11 1.388(4) . ? C10 H10 0.9500 . ? C11 H11 0.9500 . ? C12 C13 1.394(4) . ? C12 C16 1.394(4) . ? C13 C14 1.382(4) . ? C13 H13 0.9500 . ? C14 N2 1.332(4) . ? C14 H14 0.9500 . ? N2 C15 1.329(4) . ? C15 C16 1.381(4) . ? C15 H15 0.9500 . ? C16 H16 0.9500 . ? N3 N4 1.249(3) . ? N4 C17 1.424(4) . ? C17 C22 1.392(4) . ? C17 C18 1.396(4) . ? C18 C19 1.388(4) . ? C18 H18 0.9500 . ? C19 C20 1.398(5) . ? C19 H19 0.9500 . ? C20 C21 1.370(5) . ? C20 H20 0.9500 . ? C21 C22 1.399(5) . ? C21 H21 0.9500 . ? C22 H22 0.9500 . ? C23 C24 1.379(4) . ? C23 C28 1.384(4) . ? C23 I1 2.093(3) . ? C24 F1 1.349(3) . ? C24 C25 1.377(4) . ? C25 F2 1.346(3) . ? C25 C26 1.378(4) . ? C26 C27 1.393(4) . ? C26 I2 2.086(3) . ? C27 F3 1.344(3) . ? C27 C28 1.384(4) . ? C28 F4 1.344(3) . ?