#------------------------------------------------------------------------------ #$Date: 2020-09-17 06:34:15 +0300 (Thu, 17 Sep 2020) $ #$Revision: 256491 $ #$URL: file:///home/coder/svn-repositories/cod/cif/7/15/77/7157706.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_7157706 loop_ _publ_author_name 'Yao, Hai-Feng' 'Wang, Dian-Liang' 'Li, Fang-Hui' 'Wu, Bing' 'Cai, Zhong-Jian' 'Ji, Shun-Jun' _publ_section_title ; Synthesis of organoselenyl isoquinolinium imides via Iron(III) chloride-mediated tandem cyclization/selenation of N’-(2-alkynylbenzylidene)hydrazides and diselenides ; _journal_name_full 'Organic & Biomolecular Chemistry' _journal_paper_doi 10.1039/D0OB01517B _journal_year 2020 _chemical_formula_moiety 'C28 H21 F N2 O2 S Se' _chemical_formula_sum 'C28 H21 F N2 O2 S Se' _chemical_formula_weight 547.49 _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_date 2018-06-08 _audit_creation_method ; Olex2 1.2 (compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506) ; _audit_update_record ; 2020-01-09 deposited with the CCDC. 2020-08-27 downloaded from the CCDC. ; _cell_angle_alpha 90 _cell_angle_beta 101.15(3) _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 13.215(3) _cell_length_b 11.927(2) _cell_length_c 15.344(3) _cell_measurement_reflns_used 11441 _cell_measurement_temperature 150(2) _cell_measurement_theta_max 34.9080 _cell_measurement_theta_min 2.1785 _cell_volume 2372.8(9) _computing_molecular_graphics 'Olex2 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 (Dolomanov et al., 2009)' _computing_structure_refinement 'XL (Sheldrick, 2008)' _diffrn_ambient_temperature 150.15 _diffrn_measured_fraction_theta_full 0.991 _diffrn_measured_fraction_theta_max 0.991 _diffrn_measurement_device_type 'Rigaku Saturn 724+' _diffrn_measurement_method '\w scan' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0283 _diffrn_reflns_av_unetI/netI 0.0349 _diffrn_reflns_Laue_measured_fraction_full 0.991 _diffrn_reflns_Laue_measured_fraction_max 0.991 _diffrn_reflns_limit_h_max 12 _diffrn_reflns_limit_h_min -16 _diffrn_reflns_limit_k_max 14 _diffrn_reflns_limit_k_min -14 _diffrn_reflns_limit_l_max 19 _diffrn_reflns_limit_l_min -14 _diffrn_reflns_number 12186 _diffrn_reflns_point_group_measured_fraction_full 0.991 _diffrn_reflns_point_group_measured_fraction_max 0.991 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 26.371 _diffrn_reflns_theta_min 1.864 _diffrn_standards_number 0 _exptl_absorpt_coefficient_mu 1.708 _exptl_absorpt_correction_T_max 34.9080 _exptl_absorpt_correction_T_min 2.1785 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details 'Jacobson, R. (1998) Private communication' _exptl_crystal_colour Yellow _exptl_crystal_density_diffrn 1.532 _exptl_crystal_description Prism _exptl_crystal_F_000 1112 _exptl_crystal_size_max 0.6 _exptl_crystal_size_mid 0.5 _exptl_crystal_size_min 0.4 _exptl_transmission_factor_max 1.0000 _exptl_transmission_factor_min 0.7065 _refine_diff_density_max 0.484 _refine_diff_density_min -0.454 _refine_diff_density_rms 0.081 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.015 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 327 _refine_ls_number_reflns 4819 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.015 _refine_ls_R_factor_all 0.0416 _refine_ls_R_factor_gt 0.0382 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0413P)^2^+3.2857P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0932 _refine_ls_wR_factor_ref 0.0955 _reflns_Friedel_coverage 0.000 _reflns_number_gt 4535 _reflns_number_total 4819 _reflns_threshold_expression 'I > 2\s(I)' _iucr_refine_instructions_details ; shelxl.res created by SHELXL-2014/7 TITL shelxl in P2(1)/n CELL 0.71073 13.2153 11.9274 15.3438 90 101.1466 90 ZERR 4 0.00264 0.00239 0.00307 0 0.03 0 LATT 1 SYMM 0.5-X,0.5+Y,0.5-Z SFAC C H F N O S Se UNIT 112 84 4 8 8 4 4 L.S. 40 PLAN 20 SIZE 0.4 0.5 0.6 TEMP -123 BOND $h fmap 2 ACTA SHEL 999 0.8 REM REM REM WGHT 0.041300 3.285700 FVAR 0.39494 0.62473 C1 1 0.471437 0.220133 1.026305 11.00000 0.01985 0.03268 = 0.02213 -0.00599 0.00287 -0.00320 C2 1 0.388377 0.181540 1.060603 11.00000 0.02716 0.03108 = 0.03324 -0.00822 0.01220 -0.00843 AFIX 43 H2 2 0.390741 0.109437 1.087223 11.00000 -1.20000 AFIX 0 C3 1 0.301897 0.248384 1.055966 11.00000 0.02317 0.04842 = 0.04396 -0.01602 0.01303 -0.00855 AFIX 43 H3 2 0.244260 0.221091 1.078167 11.00000 -1.20000 AFIX 0 C4 1 0.298649 0.354068 1.019469 11.00000 0.02198 0.05289 = 0.04738 -0.00460 0.00230 0.00777 AFIX 43 H4 2 0.239216 0.399747 1.016656 11.00000 -1.20000 AFIX 0 C5 1 0.382104 0.392954 0.987135 11.00000 0.03460 0.05008 = 0.05149 0.01549 0.00515 0.00906 AFIX 43 H5 2 0.380566 0.466388 0.962937 11.00000 -1.20000 AFIX 0 C6 1 0.468734 0.326081 0.989426 11.00000 0.02498 0.04485 = 0.04005 0.01350 0.00901 0.00113 AFIX 43 H6 2 0.525562 0.352955 0.965858 11.00000 -1.20000 AFIX 0 C7 1 0.744494 0.250034 0.976421 11.00000 0.01531 0.01747 = 0.02218 -0.00150 0.00455 -0.00076 C8 1 0.694919 0.223091 1.044451 11.00000 0.01614 0.01925 = 0.02644 -0.00190 0.00673 -0.00105 C9 1 0.725497 0.270844 1.131302 11.00000 0.01687 0.02028 = 0.02519 -0.00154 0.00668 0.00016 C10 1 0.683015 0.242711 1.205613 11.00000 0.02180 0.02893 = 0.02903 -0.00072 0.01169 0.00135 AFIX 43 H10 2 0.628177 0.190053 1.199712 11.00000 -1.20000 AFIX 0 C11 1 0.720190 0.290713 1.286286 11.00000 0.03089 0.04016 = 0.02505 -0.00037 0.01447 0.00524 AFIX 43 H11 2 0.691672 0.269322 1.336092 11.00000 -1.20000 AFIX 0 C12 1 0.799395 0.370783 1.297458 11.00000 0.03555 0.03953 = 0.02164 -0.00799 0.00720 0.00265 AFIX 43 H12 2 0.823630 0.403182 1.354216 11.00000 -1.20000 AFIX 0 C13 1 0.841825 0.402265 1.226388 11.00000 0.02889 0.02665 = 0.02981 -0.01074 0.00667 -0.00349 AFIX 43 H13 2 0.894588 0.457478 1.233338 11.00000 -1.20000 AFIX 0 C14 1 0.806183 0.351602 1.142363 11.00000 0.02081 0.02019 = 0.02204 -0.00281 0.00580 -0.00040 C15 1 0.851002 0.379928 1.069754 11.00000 0.01880 0.01721 = 0.02449 -0.00202 0.00471 -0.00113 AFIX 43 H15 2 0.902831 0.436187 1.076756 11.00000 -1.20000 AFIX 0 C16 1 0.718348 0.201400 0.885299 11.00000 0.01601 0.02539 = 0.02330 -0.00687 0.00695 -0.00697 C17 1 0.733142 0.088678 0.870213 11.00000 0.03087 0.02696 = 0.02803 -0.00643 0.01164 -0.01123 PART 2 AFIX 43 H17 2 0.764699 0.042886 0.918539 -21.00000 -1.20000 AFIX 0 PART 0 C18 1 0.703573 0.040438 0.787237 11.00000 0.03704 0.03421 = 0.03671 -0.01521 0.01897 -0.01336 AFIX 43 H18 2 0.714774 -0.037163 0.778856 11.00000 -1.20000 AFIX 0 C19 1 0.657541 0.106515 0.716687 11.00000 0.03890 0.05445 = 0.02429 -0.01287 0.01029 -0.01623 AFIX 43 H19 2 0.636061 0.074239 0.659497 11.00000 -1.20000 AFIX 0 C20 1 0.642832 0.219044 0.729293 11.00000 0.03013 0.05321 = 0.02582 -0.00138 0.00266 -0.00805 AFIX 43 H20 2 0.611498 0.264802 0.680866 11.00000 -1.20000 AFIX 0 C21 1 0.673968 0.265313 0.813022 11.00000 0.02360 0.03586 = 0.02860 -0.00257 0.00409 -0.00440 PART 1 AFIX 43 H21 2 0.664476 0.343349 0.820892 21.00000 -1.20000 AFIX 0 PART 0 C22 1 0.991898 0.194565 0.880783 11.00000 0.01829 0.02313 = 0.02064 -0.00137 0.00639 -0.00446 C23 1 1.045187 0.108030 0.929184 11.00000 0.02940 0.03125 = 0.02348 0.00397 0.00215 -0.00269 AFIX 43 H23 2 1.067946 0.114834 0.991587 11.00000 -1.20000 AFIX 0 C24 1 1.065027 0.010863 0.885272 11.00000 0.03097 0.02704 = 0.03812 0.00483 -0.00001 0.00351 AFIX 43 H24 2 1.100915 -0.049200 0.918335 11.00000 -1.20000 AFIX 0 C25 1 1.033391 0.000109 0.794193 11.00000 0.02215 0.02677 = 0.04161 -0.00573 0.00627 -0.00346 C26 1 0.974311 0.084630 0.747860 11.00000 0.02468 0.03257 = 0.02482 -0.00674 0.00148 -0.00143 AFIX 43 H26 2 0.947624 0.075658 0.686179 11.00000 -1.20000 AFIX 0 C27 1 0.953604 0.182102 0.790260 11.00000 0.02188 0.02566 = 0.02400 0.00092 0.00230 0.00061 AFIX 43 H27 2 0.913580 0.239972 0.757793 11.00000 -1.20000 AFIX 0 C28 1 1.068289 -0.099187 0.746251 11.00000 0.03158 0.03992 = 0.06545 -0.01963 0.00512 0.00503 AFIX 137 H28A 2 1.137731 -0.085006 0.735135 11.00000 -1.50000 H28B 2 1.020513 -0.110355 0.689572 11.00000 -1.50000 H28C 2 1.069233 -0.166538 0.782983 11.00000 -1.50000 AFIX 0 PART 1 F1 3 0.772721 0.026263 0.935934 21.00000 0.03570 0.02198 = 0.02625 -0.00033 0.00259 0.00238 PART 0 PART 2 F1A 3 0.657474 0.365664 0.829505 -21.00000 0.03257 0.02559 = 0.03538 0.00589 -0.00226 0.00402 PART 0 N1 4 0.823010 0.330323 0.991579 11.00000 0.01678 0.01783 = 0.02125 -0.00096 0.00531 -0.00211 N2 4 0.867086 0.365982 0.919416 11.00000 0.01997 0.02409 = 0.02204 0.00183 0.00808 -0.00370 O1 5 1.037551 0.317239 1.020578 11.00000 0.01997 0.05378 = 0.02955 -0.01777 -0.00127 -0.00095 O2 5 1.027318 0.403538 0.872349 11.00000 0.03855 0.02846 = 0.05194 -0.00946 0.02906 -0.01589 S1 6 0.984782 0.328316 0.929441 11.00000 0.01825 0.02571 = 0.02641 -0.00714 0.00772 -0.00773 SE1 7 0.582860 0.117660 1.022024 11.00000 0.02057 0.02389 = 0.03718 -0.00735 0.01225 -0.00843 HKLF 4 REM shelxl in P2(1)/n REM R1 = 0.0382 for 4535 Fo > 4sig(Fo) and 0.0416 for all 4819 data REM 327 parameters refined using 0 restraints END WGHT 0.0400 1.7416 REM Highest difference peak 0.484, deepest hole -0.454, 1-sigma level 0.081 Q1 1 0.5568 0.1605 0.9812 11.00000 0.05 0.48 Q2 1 0.2750 0.2219 1.0191 11.00000 0.05 0.30 Q3 1 0.9822 0.2572 0.9016 11.00000 0.05 0.29 Q4 1 0.9239 0.2979 1.3161 11.00000 0.05 0.28 Q5 1 1.0222 -0.1622 0.7232 11.00000 0.05 0.27 Q6 1 0.3424 0.3626 0.9985 11.00000 0.05 0.26 Q7 1 1.0221 -0.0165 0.8316 11.00000 0.05 0.25 Q8 1 0.2949 0.2932 1.0335 11.00000 0.05 0.25 Q9 1 1.0571 0.3230 1.1052 11.00000 0.05 0.25 Q10 1 0.8130 0.3631 1.3900 11.00000 0.05 0.25 Q11 1 0.4640 0.2693 1.0084 11.00000 0.05 0.24 Q12 1 1.1078 0.3588 1.0436 11.00000 0.05 0.24 Q13 1 0.5440 0.0760 0.9553 11.00000 0.05 0.24 Q14 1 0.8244 0.3878 1.2673 11.00000 0.05 0.24 Q15 1 0.6364 0.2414 0.6985 11.00000 0.05 0.24 Q16 1 0.1937 0.3576 0.9467 11.00000 0.05 0.24 Q17 1 0.6707 0.2595 0.7652 11.00000 0.05 0.24 Q18 1 0.6641 0.1628 0.7313 11.00000 0.05 0.23 Q19 1 1.0061 -0.1989 0.7759 11.00000 0.05 0.23 Q20 1 0.7133 0.2389 1.0885 11.00000 0.05 0.23 REM The information below was added by Olex2. REM REM R1 = 0.0382 for 4535 Fo > 4sig(Fo) and 0.0416 for all 19183 data REM n/a parameters refined using n/a restraints REM Highest difference peak 0.48, deepest hole -0.45 REM Mean Shift 0, Max Shift 0.001. REM +++ Tabular Listing of Refinement Information +++ REM R1_all = 0.0416 REM R1_gt = 0.0382 REM wR_ref = 0.0955 REM GOOF = 1.015 REM Shift_max = 0.001 REM Shift_mean = 0 REM Reflections_all = 19183 REM Reflections_gt = 4535 REM Parameters = n/a REM Hole = -0.45 REM Peak = 0.48 REM Flack = n/a ; _cod_data_source_file d0ob01517b2.cif _cod_data_source_block shelxl _cod_original_cell_volume 2372.9(9) _cod_database_code 7157706 _shelx_shelxl_version_number 2014/7 _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_max 0.548 _shelx_estimated_absorpt_t_min 0.427 _olex2_refinement_description ; 1. Fixed Uiso At 1.2 times of: All C(H) groups At 1.5 times of: All C(H,H,H) groups 2. Others Sof(H17)=Sof(F1A)=1-FVAR(1) Sof(H21)=Sof(F1)=FVAR(1) 3.a Aromatic/amide H refined with riding coordinates: C2(H2), C3(H3), C4(H4), C5(H5), C6(H6), C10(H10), C11(H11), C12(H12), C13(H13), C15(H15), C17(H17), C18(H18), C19(H19), C20(H20), C21(H21), C23(H23), C24(H24), C26(H26), C27(H27) 3.b Idealised Me refined as rotating group: C28(H28A,H28B,H28C) ; _olex2_submission_special_instructions 'No special instructions were received' 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 0.4714(2) 0.2201(2) 1.02630(18) 0.0250(6) Uani 1 1 d . . . . . C2 C 0.3884(2) 0.1815(2) 1.0606(2) 0.0296(6) Uani 1 1 d . . . . . H2 H 0.3907 0.1094 1.0872 0.036 Uiso 1 1 calc R . . . . C3 C 0.3019(2) 0.2484(3) 1.0560(2) 0.0376(7) Uani 1 1 d . . . . . H3 H 0.2443 0.2211 1.0782 0.045 Uiso 1 1 calc R . . . . C4 C 0.2986(2) 0.3541(3) 1.0195(2) 0.0413(8) Uani 1 1 d . . . . . H4 H 0.2392 0.3997 1.0167 0.050 Uiso 1 1 calc R . . . . C5 C 0.3821(3) 0.3930(3) 0.9871(2) 0.0458(8) Uani 1 1 d . . . . . H5 H 0.3806 0.4664 0.9629 0.055 Uiso 1 1 calc R . . . . C6 C 0.4687(2) 0.3261(3) 0.9894(2) 0.0363(7) Uani 1 1 d . . . . . H6 H 0.5256 0.3530 0.9659 0.044 Uiso 1 1 calc R . . . . C7 C 0.74449(18) 0.2500(2) 0.97642(16) 0.0182(5) Uani 1 1 d . . . . . C8 C 0.69492(18) 0.2231(2) 1.04445(17) 0.0203(5) Uani 1 1 d . . . . . C9 C 0.72550(19) 0.2708(2) 1.13130(17) 0.0204(5) Uani 1 1 d . . . . . C10 C 0.6830(2) 0.2427(2) 1.20561(18) 0.0257(6) Uani 1 1 d . . . . . H10 H 0.6282 0.1901 1.1997 0.031 Uiso 1 1 calc R . . . . C11 C 0.7202(2) 0.2907(3) 1.28629(19) 0.0308(6) Uani 1 1 d . . . . . H11 H 0.6917 0.2693 1.3361 0.037 Uiso 1 1 calc R . . . . C12 C 0.7994(2) 0.3708(3) 1.29746(19) 0.0320(6) Uani 1 1 d . . . . . H12 H 0.8236 0.4032 1.3542 0.038 Uiso 1 1 calc R . . . . C13 C 0.8418(2) 0.4023(2) 1.22639(19) 0.0283(6) Uani 1 1 d . . . . . H13 H 0.8946 0.4575 1.2333 0.034 Uiso 1 1 calc R . . . . C14 C 0.80618(19) 0.3516(2) 1.14236(17) 0.0208(5) Uani 1 1 d . . . . . C15 C 0.85100(19) 0.3799(2) 1.06975(17) 0.0201(5) Uani 1 1 d . . . . . H15 H 0.9028 0.4362 1.0768 0.024 Uiso 1 1 calc R . . . . C16 C 0.71835(19) 0.2014(2) 0.88530(17) 0.0211(5) Uani 1 1 d . . . . . C17 C 0.7331(2) 0.0887(2) 0.87021(19) 0.0278(6) Uani 1 1 d . . . . . H17 H 0.7647 0.0429 0.9185 0.033 Uiso 0.375(5) 1 calc R . P A 2 C18 C 0.7036(2) 0.0404(3) 0.7872(2) 0.0344(7) Uani 1 1 d . . . . . H18 H 0.7148 -0.0372 0.7789 0.041 Uiso 1 1 calc R . . . . C19 C 0.6575(3) 0.1065(3) 0.7167(2) 0.0387(8) Uani 1 1 d . . . . . H19 H 0.6361 0.0742 0.6595 0.046 Uiso 1 1 calc R . . . . C20 C 0.6428(2) 0.2190(3) 0.7293(2) 0.0368(7) Uani 1 1 d . . . . . H20 H 0.6115 0.2648 0.6809 0.044 Uiso 1 1 calc R . . . . C21 C 0.6740(2) 0.2653(3) 0.81302(19) 0.0295(6) Uani 1 1 d . . . . . H21 H 0.6645 0.3433 0.8209 0.035 Uiso 0.625(5) 1 calc R . P A 1 C22 C 0.99190(19) 0.1946(2) 0.88078(17) 0.0203(5) Uani 1 1 d . . . . . C23 C 1.0452(2) 0.1080(2) 0.92918(19) 0.0284(6) Uani 1 1 d . . . . . H23 H 1.0679 0.1148 0.9916 0.034 Uiso 1 1 calc R . . . . C24 C 1.0650(2) 0.0109(2) 0.8853(2) 0.0329(7) Uani 1 1 d . . . . . H24 H 1.1009 -0.0492 0.9183 0.040 Uiso 1 1 calc R . . . . C25 C 1.0334(2) 0.0001(2) 0.7942(2) 0.0302(6) Uani 1 1 d . . . . . C26 C 0.9743(2) 0.0846(2) 0.74786(19) 0.0278(6) Uani 1 1 d . . . . . H26 H 0.9476 0.0757 0.6862 0.033 Uiso 1 1 calc R . . . . C27 C 0.9536(2) 0.1821(2) 0.79026(18) 0.0241(5) Uani 1 1 d . . . . . H27 H 0.9136 0.2400 0.7578 0.029 Uiso 1 1 calc R . . . . C28 C 1.0683(3) -0.0992(3) 0.7463(3) 0.0462(9) Uani 1 1 d . . . . . H28A H 1.1377 -0.0850 0.7351 0.069 Uiso 1 1 calc GR . . . . H28B H 1.0205 -0.1104 0.6896 0.069 Uiso 1 1 calc GR . . . . H28C H 1.0692 -0.1665 0.7830 0.069 Uiso 1 1 calc GR . . . . F1 F 0.7727(2) 0.0263(2) 0.93593(16) 0.0284(8) Uani 0.625(5) 1 d . . P A 1 F1A F 0.6575(3) 0.3657(3) 0.8295(3) 0.0324(14) Uani 0.375(5) 1 d . . P A 2 N1 N 0.82301(16) 0.33032(17) 0.99158(14) 0.0184(4) Uani 1 1 d . . . . . N2 N 0.86709(16) 0.36598(18) 0.91942(14) 0.0215(5) Uani 1 1 d . . . . . O1 O 1.03755(15) 0.31724(19) 1.02058(13) 0.0352(5) Uani 1 1 d . . . . . O2 O 1.02732(17) 0.40354(17) 0.87235(15) 0.0369(5) Uani 1 1 d . . . . . S1 S 0.98478(5) 0.32832(5) 0.92944(4) 0.02300(15) Uani 1 1 d . . . . . Se1 Se 0.58286(2) 0.11766(2) 1.02202(2) 0.02632(10) 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 0.0199(12) 0.0327(14) 0.0221(13) -0.0060(11) 0.0029(10) -0.0032(11) C2 0.0272(14) 0.0311(14) 0.0332(15) -0.0082(12) 0.0122(12) -0.0084(12) C3 0.0232(14) 0.0484(18) 0.0440(18) -0.0160(15) 0.0130(13) -0.0086(13) C4 0.0220(15) 0.053(2) 0.047(2) -0.0046(16) 0.0023(14) 0.0078(14) C5 0.0346(17) 0.050(2) 0.051(2) 0.0155(17) 0.0052(15) 0.0091(15) C6 0.0250(15) 0.0449(18) 0.0400(17) 0.0135(14) 0.0090(13) 0.0011(13) C7 0.0153(11) 0.0175(11) 0.0222(12) -0.0015(10) 0.0046(9) -0.0008(9) C8 0.0161(11) 0.0193(12) 0.0264(13) -0.0019(10) 0.0067(10) -0.0010(9) C9 0.0169(12) 0.0203(12) 0.0252(13) -0.0015(10) 0.0067(10) 0.0002(10) C10 0.0218(13) 0.0289(14) 0.0290(14) -0.0007(11) 0.0117(11) 0.0014(11) C11 0.0309(15) 0.0402(16) 0.0251(14) -0.0004(12) 0.0145(12) 0.0052(13) C12 0.0356(16) 0.0395(16) 0.0216(14) -0.0080(12) 0.0072(12) 0.0026(13) C13 0.0289(14) 0.0267(14) 0.0298(15) -0.0107(12) 0.0067(12) -0.0035(11) C14 0.0208(12) 0.0202(12) 0.0220(13) -0.0028(10) 0.0058(10) -0.0004(10) C15 0.0188(12) 0.0172(11) 0.0245(13) -0.0020(10) 0.0047(10) -0.0011(9) C16 0.0160(11) 0.0254(13) 0.0233(13) -0.0069(10) 0.0069(10) -0.0070(10) C17 0.0309(15) 0.0270(14) 0.0280(14) -0.0064(12) 0.0116(12) -0.0112(12) C18 0.0370(16) 0.0342(15) 0.0367(17) -0.0152(13) 0.0190(13) -0.0134(13) C19 0.0389(17) 0.054(2) 0.0243(15) -0.0129(14) 0.0103(13) -0.0162(15) C20 0.0301(15) 0.053(2) 0.0258(15) -0.0014(14) 0.0027(12) -0.0080(14) C21 0.0236(13) 0.0359(15) 0.0286(15) -0.0026(12) 0.0041(11) -0.0044(12) C22 0.0183(12) 0.0231(12) 0.0206(12) -0.0014(10) 0.0064(10) -0.0045(10) C23 0.0294(14) 0.0313(15) 0.0235(14) 0.0040(11) 0.0022(11) -0.0027(11) C24 0.0310(15) 0.0270(14) 0.0381(17) 0.0048(13) 0.0000(13) 0.0035(12) C25 0.0221(13) 0.0268(14) 0.0416(17) -0.0057(13) 0.0063(12) -0.0035(11) C26 0.0247(13) 0.0326(14) 0.0248(14) -0.0067(12) 0.0015(11) -0.0014(11) C27 0.0219(13) 0.0257(13) 0.0240(13) 0.0009(11) 0.0023(10) 0.0006(10) C28 0.0316(17) 0.0399(18) 0.065(2) -0.0196(17) 0.0051(16) 0.0050(14) F1 0.0357(15) 0.0220(13) 0.0262(14) -0.0003(10) 0.0026(11) 0.0024(11) F1A 0.033(3) 0.026(2) 0.035(3) 0.0059(19) -0.002(2) 0.0040(18) N1 0.0168(10) 0.0178(10) 0.0212(11) -0.0010(8) 0.0053(8) -0.0021(8) N2 0.0200(11) 0.0241(11) 0.0220(11) 0.0018(9) 0.0081(9) -0.0037(9) O1 0.0200(10) 0.0538(13) 0.0296(11) -0.0178(10) -0.0013(8) -0.0009(9) O2 0.0385(12) 0.0285(10) 0.0519(14) -0.0095(10) 0.0291(11) -0.0159(9) S1 0.0182(3) 0.0257(3) 0.0264(3) -0.0071(3) 0.0077(3) -0.0077(2) Se1 0.02057(15) 0.02389(15) 0.03718(18) -0.00735(11) 0.01225(11) -0.00843(10) 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' F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Se Se -0.0929 2.2259 '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 C2 C1 Se1 118.0(2) . . ? C6 C1 C2 120.0(3) . . ? C6 C1 Se1 121.7(2) . . ? C1 C2 H2 120.1 . . ? C3 C2 C1 119.8(3) . . ? C3 C2 H2 120.1 . . ? C2 C3 H3 119.7 . . ? C4 C3 C2 120.6(3) . . ? C4 C3 H3 119.7 . . ? C3 C4 H4 120.3 . . ? C5 C4 C3 119.5(3) . . ? C5 C4 H4 120.3 . . ? C4 C5 H5 119.6 . . ? C4 C5 C6 120.8(3) . . ? C6 C5 H5 119.6 . . ? C1 C6 C5 119.4(3) . . ? C1 C6 H6 120.3 . . ? C5 C6 H6 120.3 . . ? C8 C7 C16 124.3(2) . . ? C8 C7 N1 118.8(2) . . ? N1 C7 C16 116.9(2) . . ? C7 C8 C9 121.6(2) . . ? C7 C8 Se1 118.76(19) . . ? C9 C8 Se1 119.68(18) . . ? C10 C9 C8 125.0(2) . . ? C10 C9 C14 118.2(2) . . ? C14 C9 C8 116.7(2) . . ? C9 C10 H10 119.8 . . ? C11 C10 C9 120.3(3) . . ? C11 C10 H10 119.8 . . ? C10 C11 H11 119.2 . . ? C10 C11 C12 121.7(3) . . ? C12 C11 H11 119.2 . . ? C11 C12 H12 120.0 . . ? C13 C12 C11 120.0(3) . . ? C13 C12 H12 120.0 . . ? C12 C13 H13 120.3 . . ? C12 C13 C14 119.4(3) . . ? C14 C13 H13 120.3 . . ? C9 C14 C13 120.4(2) . . ? C15 C14 C9 119.4(2) . . ? C15 C14 C13 120.2(2) . . ? C14 C15 H15 119.1 . . ? N1 C15 C14 121.7(2) . . ? N1 C15 H15 119.1 . . ? C17 C16 C7 121.3(2) . . ? C17 C16 C21 117.0(2) . . ? C21 C16 C7 121.6(2) . . ? C16 C17 H17 118.9 . . ? C16 C17 C18 122.3(3) . . ? C18 C17 H17 118.9 . . ? F1 C17 C16 118.8(3) . . ? F1 C17 C18 118.9(3) . . ? C17 C18 H18 120.4 . . ? C19 C18 C17 119.2(3) . . ? C19 C18 H18 120.4 . . ? C18 C19 H19 120.0 . . ? C20 C19 C18 120.0(3) . . ? C20 C19 H19 120.0 . . ? C19 C20 H20 120.2 . . ? C19 C20 C21 119.6(3) . . ? C21 C20 H20 120.2 . . ? C16 C21 C20 121.9(3) . . ? C16 C21 H21 119.0 . . ? C20 C21 H21 119.0 . . ? F1A C21 C16 115.4(3) . . ? F1A C21 C20 122.4(3) . . ? C23 C22 C27 120.4(2) . . ? C23 C22 S1 120.6(2) . . ? C27 C22 S1 118.6(2) . . ? C22 C23 H23 120.5 . . ? C22 C23 C24 119.1(3) . . ? C24 C23 H23 120.5 . . ? C23 C24 H24 119.4 . . ? C25 C24 C23 121.2(3) . . ? C25 C24 H24 119.4 . . ? C24 C25 C26 118.7(3) . . ? C24 C25 C28 120.2(3) . . ? C26 C25 C28 121.0(3) . . ? C25 C26 H26 119.6 . . ? C27 C26 C25 120.9(3) . . ? C27 C26 H26 119.6 . . ? C22 C27 H27 120.3 . . ? C26 C27 C22 119.5(3) . . ? C26 C27 H27 120.3 . . ? C25 C28 H28A 109.5 . . ? C25 C28 H28B 109.5 . . ? C25 C28 H28C 109.5 . . ? H28A C28 H28B 109.5 . . ? H28A C28 H28C 109.5 . . ? H28B C28 H28C 109.5 . . ? C7 N1 N2 118.8(2) . . ? C15 N1 C7 121.7(2) . . ? C15 N1 N2 119.3(2) . . ? N1 N2 S1 112.41(17) . . ? N2 S1 C22 110.04(12) . . ? O1 S1 C22 105.72(13) . . ? O1 S1 N2 113.46(12) . . ? O2 S1 C22 104.22(12) . . ? O2 S1 N2 104.67(13) . . ? O2 S1 O1 118.27(14) . . ? C8 Se1 C1 98.42(11) . . ? 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 C2 1.385(4) . ? C1 C6 1.382(4) . ? C1 Se1 1.925(3) . ? C2 H2 0.9500 . ? C2 C3 1.384(4) . ? C3 H3 0.9500 . ? C3 C4 1.377(5) . ? C4 H4 0.9500 . ? C4 C5 1.374(5) . ? C5 H5 0.9500 . ? C5 C6 1.390(4) . ? C6 H6 0.9500 . ? C7 C8 1.373(3) . ? C7 C16 1.491(3) . ? C7 N1 1.398(3) . ? C8 C9 1.434(4) . ? C8 Se1 1.922(2) . ? C9 C10 1.405(4) . ? C9 C14 1.423(3) . ? C10 H10 0.9500 . ? C10 C11 1.366(4) . ? C11 H11 0.9500 . ? C11 C12 1.403(4) . ? C12 H12 0.9500 . ? C12 C13 1.371(4) . ? C13 H13 0.9500 . ? C13 C14 1.419(4) . ? C14 C15 1.400(4) . ? C15 H15 0.9500 . ? C15 N1 1.324(3) . ? C16 C17 1.385(4) . ? C16 C21 1.380(4) . ? C17 H17 0.9500 . ? C17 C18 1.383(4) . ? C17 F1 1.281(4) . ? C18 H18 0.9500 . ? C18 C19 1.381(5) . ? C19 H19 0.9500 . ? C19 C20 1.375(5) . ? C20 H20 0.9500 . ? C20 C21 1.386(4) . ? C21 H21 0.9500 . ? C21 F1A 1.251(5) . ? C22 C23 1.382(4) . ? C22 C27 1.391(4) . ? C22 S1 1.772(3) . ? C23 H23 0.9500 . ? C23 C24 1.391(4) . ? C24 H24 0.9500 . ? C24 C25 1.385(4) . ? C25 C26 1.384(4) . ? C25 C28 1.513(4) . ? C26 H26 0.9500 . ? C26 C27 1.385(4) . ? C27 H27 0.9500 . ? C28 H28A 0.9800 . ? C28 H28B 0.9800 . ? C28 H28C 0.9800 . ? N1 N2 1.413(3) . ? N2 S1 1.598(2) . ? O1 S1 1.443(2) . ? O2 S1 1.442(2) . ? loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_meas _refln_F_squared_sigma 0 0 3 1.32 0.54 0 0 -3 0.81 0.51 0 0 5 1.4 1.09 0 0 -5 2.35 1.43 0 0 6 34.6 2.82 0 0 -6 36.09 3.53 0 0 7 4.32 1.41 0 0 -7 1.64 1.05 0 0 8 155.94 4.95 0 0 -8 167.48 5.16 0 0 9 -1.23 1.61 0 0 -9 3.34 1.18 0 0 10 138.08 7.54 0 0 -10 140.4 7.49 0 0 11 -0.93 1.62 0 0 13 -0.38 1.79 0 0 14 251.44 8.73 0 0 15 -0.04 1.96 0 0 16 6.2 2.96 0 0 17 3.75 1.96 0 0 18 68.87 7.31 0 0 19 6.87 2.64 0 0 20 235.52 17.75 0 0 21 4.99 2.17 0 0 22 125.94 13.24 0 0 23 2.17 1.75 0 0 24 3.81 1.53 0 1 0 -0.2 0.09 0 -1 -2 329.62 4.22 0 -1 2 331.16 4.08 0 1 -2 329.56 4.05 0 1 3 39.99 1.86 0 -1 -3 37.82 2.1 0 -1 3 36.66 2.03 0 1 -3 36.53 1.5 0 1 4 409.42 5.53 0 -1 -4 418.66 5.63 0 -1 4 399.44 5.15 0 1 -4 414.01 5.32 0 1 5 164.1 2.41 0 -1 5 163.3 1.97 0 -1 -5 162.65 2.15 0 1 -5 156.81 5.17 0 1 6 1034.71 8.65 0 -1 6 1026.73 8.19 0 -1 -6 1054.84 8.66 0 1 -6 1040.76 8.98 0 1 7 3.41 1.05 0 -1 7 11.54 1.27 0 -1 -7 7.05 0.99 0 1 -7 7.83 1.2 0 1 8 1217.51 19.08 0 -1 8 1205.15 18.91 0 -1 -8 1207.79 18.9 0 1 -8 1183.18 18.48 0 1 9 68.82 5.96 0 -1 9 58.26 7.33 0 -1 -9 46.26 5.77 0 1 -9 45.99 6.07 0 1 10 874.14 16.92 0 1 -10 837.91 15.45 0 1 11 25.05 3.62 0 -1 11 22.3 3.03 0 1 12 62.32 7.58 0 -1 12 55.05 7.94 0 1 13 291.57 16.13 0 -1 13 276.85 15.37 0 -1 14 151.63 15.54 0 1 15 8.61 3.3 0 -1 15 9.92 2.76 0 1 16 4.7 2.58 0 -1 16 3.66 1.38 0 1 17 50.87 6.29 0 -1 17 44.21 4.37 0 1 18 12.04 2.62 0 -1 18 11.44 2.24 0 1 19 4.69 2.18 0 -1 19 6.39 2.95 0 1 20 21.18 12.15 0 -1 20 23.41 3.13 0 1 21 24.33 4.77 0 -1 21 34.38 4.93 0 1 22 5.27 1.92 0 -1 22 5.3 2.97 0 1 23 1.06 1.28 0 -1 23 9.33 2.87 0 -1 24 3.99 2.22 0 2 1 759.62 9.15 0 -2 -1 770.93 9.24 0 -2 1 757.65 8.84 0 -2 1 747.75 9.28 0 2 -1 769.28 9.25 0 2 2 1241.84 9.15 0 -2 -2 1247.12 9.16 0 -2 2 1238.86 8.49 0 2 -2 1205.82 8.26 0 2 -2 1213.75 8.84 0 2 3 2460.87 17.33 0 -2 -3 2521.81 17.7 0 -2 3 2521.01 17.06 0 2 -3 2509.18 17 0 2 4 252.58 3.91 0 -2 -4 249.52 3.86 0 -2 4 246.73 3.38 0 2 -4 238.75 3.26 0 2 5 881.1 11.13 0 -2 -5 897.25 11.27 0 -2 5 894.32 10.81 0 2 -5 898.05 10.87 0 2 6 168.55 5.64 0 -2 -6 164.52 4.99 0 -2 6 171.09 4.9 0 2 -6 169.8 5.12 0 2 7 1354.2 18.41 0 -2 7 1310.71 17.45 0 -2 -7 1367.34 18.53 0 2 -7 1342.49 17.86 0 2 8 28.92 4.24 0 -2 8 24.88 3.23 0 -2 -8 24.81 3.47 0 2 -8 29.1 3.91 0 2 9 311.73 9.06 0 -2 9 265.95 8.6 0 -2 -9 291.57 8.37 0 2 -9 289.49 8.07 0 2 10 6.82 1.43 0 -2 10 7.64 1.49 0 2 -10 4.28 1.21 0 2 11 82.22 8.57 0 -2 11 77.19 8.62 0 2 -11 54.56 8.14 0 2 12 20.91 3.72 0 -2 12 20.88 3.24 0 2 13 660.12 16.66 0 -2 13 701.26 18.67 0 2 14 10.31 3.17 0 -2 14 5.92 2.8 0 2 15 113.4 11.49 0 -2 15 97.27 8.41 0 -2 16 6.69 2.12 0 2 17 124.47 13.63 0 -2 17 129.32 14.07 0 2 18 3.54 1.8 0 -2 18 4.02 1.98 0 2 19 21.61 5.13 0 -2 19 21.58 4.58 0 2 20 6.14 2.77 0 -2 20 6.09 2.88 0 2 21 0.3 1.75 0 -2 21 -0.69 1.94 0 2 22 4.91 1.47 0 -2 22 3.05 2.3 0 2 23 2.26 1.91 0 -2 23 5.46 1.95 0 3 0 10.18 1.14 0 -3 0 7.24 1.42 0 -3 1 926.17 10.93 0 3 1 894.69 10.87 0 -3 -1 927.15 11.65 0 -3 1 923.04 10.89 0 -3 1 925.82 11.39 0 3 -1 945.23 4.51 0 3 2 351.72 4.83 0 -3 -2 349.28 4.83 0 -3 2 344.82 4.26 0 3 -2 352.51 4.36 0 -3 2 345.98 5.11 0 3 -2 349.65 4.82 0 3 3 18.48 1.47 0 -3 -3 16.27 1.57 0 -3 3 22.28 1.85 0 3 -3 20.45 1.76 0 3 -3 19.29 2.26 0 3 4 2.83 0.96 0 -3 -4 8.63 1.28 0 -3 4 4.26 0.55 0 3 -4 6.1 0.8 0 3 5 124.75 6.94 0 -3 -5 120.12 8.79 0 -3 5 114.97 4.3 0 3 -5 115.57 3.88 0 3 6 406.45 35.84 0 -3 -6 399.31 35.17 0 -3 6 388.55 10.58 0 3 -6 397.7 10.72 0 3 7 99.03 3.72 0 -3 -7 94.92 6.01 0 -3 7 111.56 3.68 0 3 -7 117.27 3.56 0 3 8 192.47 8.86 0 -3 8 184.32 6.31 0 -3 -8 183.72 11.03 0 3 -8 188.67 6.48 0 3 9 48.54 5.48 0 -3 9 43.87 4.93 0 3 -9 42.4 5.22 0 3 10 256.21 8.68 0 -3 10 250.12 7.02 0 3 -10 247.1 6.61 0 3 11 41.11 6.93 0 -3 11 45.33 5.56 0 3 -11 37.54 5.54 0 3 12 391.37 16.98 0 -3 12 382.13 12.63 0 3 13 360.91 11.48 0 -3 13 368.72 9.62 0 3 14 265.79 10.57 0 -3 14 258.9 9.88 0 3 15 109.06 12.35 0 -3 15 101.1 12.88 0 3 16 19.81 8.24 0 -3 16 17.3 4.32 0 3 17 33.19 5.2 0 -3 17 28.43 4.81 0 -3 18 19.43 3.85 0 3 19 10.76 4.15 0 -3 19 1.03 2.02 0 3 20 12.87 3.38 0 -3 20 14.48 4.02 0 3 21 4.52 1.4 0 -3 21 3.29 2.58 0 3 22 2.37 2.09 0 -3 22 8.06 2.49 0 3 23 4.8 2.25 0 4 0 3618.84 24.61 0 -4 0 3689.58 25.11 0 -4 0 3795.5 26.26 0 -4 1 22.77 2.23 0 4 1 23.56 2.74 0 -4 -1 23.33 2.83 0 -4 1 24.83 2.06 0 -4 1 23.06 2.18 0 -4 -2 2223.03 16.05 0 -4 2 2252.77 15.33 0 -4 2 2252.85 16.28 0 4 3 200.43 3.48 0 -4 -3 201.77 3.39 0 -4 3 210.66 2.85 0 4 -3 204.09 2.76 0 4 -3 204.13 4.1 0 4 4 930.64 12.39 0 -4 -4 949.37 5.07 0 -4 4 936.77 11.12 0 4 -4 934.8 11.28 0 4 -4 947.2 5.04 0 4 5 702.36 10.25 0 -4 -5 720.19 10.37 0 -4 5 726.14 9.72 0 4 -5 730.71 9.79 0 4 6 229 6.91 0 -4 -6 215.89 6.43 0 -4 6 216.32 6 0 4 -6 222.31 6.16 0 4 7 41.63 4.4 0 -4 -7 41.3 6.11 0 -4 7 52.98 5.93 0 4 -7 50.61 4.74 0 4 8 394.71 11.18 0 -4 8 357.92 9.69 0 4 -8 379.86 10.54 0 4 9 385.72 9.38 0 -4 9 372.08 8.4 0 4 -9 368.29 8.28 0 4 10 19.85 2.86 0 -4 10 10.94 1.64 0 4 -10 8.3 1.32 0 4 11 536.89 9.44 0 -4 11 553.34 9.28 0 4 -11 499.84 7.83 0 4 12 244.73 14.3 0 -4 12 256.57 13.99 0 4 -12 224.69 12.19 0 4 13 27.59 4.85 0 -4 13 25.9 4.06 0 4 14 32 6.39 0 -4 14 39.14 5.06 0 4 15 2.35 1.82 0 4 16 7.86 2.54 0 -4 16 8.77 2.42 0 4 17 31.34 3.62 0 -4 17 26.1 3.76 0 4 18 73.74 7.2 0 -4 18 70.25 6.9 0 4 19 18.44 4.23 0 4 20 45.9 8.62 0 -4 20 51.34 6.31 0 4 21 1.05 1.62 0 -4 21 4.51 1.69 0 4 22 12.47 2.58 0 5 0 2.79 0.9 0 -5 0 4.07 0.59 0 -5 0 4.63 1.66 0 5 1 185.63 3.13 0 -5 -1 188.38 3.1 0 -5 1 188.35 2.83 0 -5 1 197.77 3.71 0 -5 2 52.62 5.33 0 5 2 48.35 2.71 0 -5 -2 54.56 5.82 0 -5 2 49.07 1.28 0 -5 2 54.73 6.9 0 5 -2 53.87 7.75 0 -5 3 2587.34 33.23 0 5 3 2436.51 32.25 0 -5 -3 2553.92 33.36 0 -5 3 2616.73 33.57 0 5 -3 2541.57 33.19 0 5 4 3.78 1.42 0 -5 -4 2.44 0.54 0 -5 4 1.69 0.42 0 5 -4 4.06 0.5 0 5 -4 0.97 0.98 0 5 5 326.63 9.4 0 -5 -5 331.07 9.34 0 -5 5 325.97 30.35 0 5 -5 331.18 8.9 0 5 -5 328.16 30.64 0 5 6 3.81 1.13 0 -5 -6 3.49 1.32 0 -5 6 2.32 0.77 0 5 -6 2.87 0.54 0 5 -6 6.28 1.02 0 5 7 634.59 12.24 0 -5 -7 608.56 11.58 0 -5 7 630.59 11.33 0 5 -7 643.76 11.55 0 5 8 389.46 11.15 0 -5 8 394.13 10.68 0 5 -8 393.17 10.52 0 5 9 35.63 4.45 0 -5 9 38.63 4.74 0 5 -9 32.03 4.95 0 5 10 352.51 13.64 0 -5 10 375.38 11.9 0 5 -10 354.09 11.45 0 5 11 74.24 9.57 0 -5 11 79.57 10.27 0 5 -11 55.45 8.42 0 5 12 131.91 16.46 0 -5 12 165.1 8.7 0 5 -12 128.06 10.14 0 5 13 6.14 2.04 0 -5 13 8.19 2.63 0 5 14 66.66 6.14 0 -5 14 59.5 9.25 0 5 15 7.03 2.54 0 -5 15 4.38 1.73 0 5 16 7.45 2.47 0 -5 16 10.22 2.85 0 5 17 40.43 4.74 0 -5 17 26.39 4.64 0 5 18 6.65 3.08 0 -5 18 2.46 1.43 0 5 19 115.81 9.06 0 -5 19 98.47 12.26 0 5 20 -1.16 2.74 0 -5 20 5.66 2.22 0 5 22 8.87 2.47 0 6 0 52.2 2.55 0 -6 0 51.6 2.08 0 -6 0 54.79 6.78 0 6 1 289.46 8.38 0 -6 1 274.23 7.51 0 -6 -1 283.61 7.87 0 -6 1 276.33 7.64 0 -6 1 289.61 8.3 0 6 2 365.84 10.15 0 -6 2 383.56 10.32 0 -6 -2 397.06 10.92 0 -6 2 380.72 10.2 0 -6 2 397.69 11.12 0 -6 3 123.95 4.5 0 6 3 132.24 4.91 0 -6 -3 133.44 4.84 0 -6 3 129.37 4.34 0 -6 3 115.69 4.48 0 6 -3 126 4.69 0 -6 4 114.18 3.89 0 6 4 115.64 7.21 0 -6 -4 101.53 6.97 0 -6 4 108.31 3.95 0 6 -4 104.48 5.9 0 6 5 76.62 7.74 0 -6 -5 75.84 6.43 0 -6 5 72.86 2.75 0 6 -5 75.67 2.71 0 6 -5 73.68 5.8 0 6 6 9.64 1.72 0 -6 -6 6.73 1.3 0 -6 6 11.37 1.72 0 6 -6 10.95 1.82 0 6 7 29.49 3.48 0 -6 7 26.79 3.82 0 6 -7 24.64 3.47 0 6 8 155.6 7.55 0 -6 8 159.63 4.74 0 6 -8 161.31 4.34 0 6 9 532.02 9.36 0 -6 9 513.27 7.67 0 6 -9 498.02 7.43 0 6 10 102.74 9.43 0 -6 10 114.69 9.04 0 6 -10 93.97 6.91 0 6 11 541.96 16.71 0 -6 11 551.71 13.53 0 6 -11 510.37 12.32 0 6 12 93.25 13.21 0 -6 12 81.73 10.8 0 6 13 277.63 16.73 0 -6 13 242.57 8.58 0 6 14 149.58 16.41 0 -6 14 162.98 11.06 0 6 15 75.71 8.6 0 -6 15 72.07 10.1 0 6 16 34.17 4.81 0 -6 16 29.29 4.14 0 6 17 5.39 2.69 0 -6 17 10.06 2.57 0 6 18 28.61 4.59 0 -6 18 22.38 4.66 0 6 19 29.22 4.87 0 6 20 7.76 3.01 0 6 21 0.45 3.25 0 7 0 3.07 1.13 0 -7 0 1.62 0.67 0 -7 0 -4.3 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2.89 0 -7 17 0.74 1.74 0 7 18 20.07 5.81 0 7 19 4.13 2.64 0 7 20 46.69 28.91 0 7 21 3.45 1.55 0 -8 0 1178.04 20.9 0 -8 0 1237.33 22.01 0 -8 0 1180.16 22.32 0 8 1 28.72 4.49 0 -8 1 25.57 2.74 0 -8 -1 26.51 3.68 0 -8 1 26.84 4.06 0 -8 1 25.01 4.32 0 -8 -1 27.83 4.17 0 8 2 357.21 9.19 0 -8 2 335.42 7.58 0 -8 -2 353.79 12.79 0 -8 2 347.62 7.65 0 -8 2 335.92 8.82 0 8 3 18.97 2.93 0 -8 3 13.37 1.86 0 -8 -3 12.79 1.8 0 -8 3 12.68 1.92 0 -8 3 10.85 1.88 0 8 4 376.87 9.14 0 -8 4 349.72 7.63 0 -8 -4 329.39 36.08 0 -8 4 370.41 8.3 0 -8 5 3.31 0.86 0 8 5 3.55 2.21 0 -8 5 1.89 0.86 0 -8 6 343.05 10.64 0 8 6 349.95 15.94 0 -8 6 340.17 10.59 0 8 7 341.59 18.18 0 -8 7 321.74 10.23 0 8 -7 301.18 15.96 0 8 8 11.49 2.78 0 -8 8 15.49 3.19 0 8 -8 10.34 2.41 0 8 9 185.58 12.24 0 -8 9 172.84 8.61 0 8 -9 148.84 7.46 0 8 10 35 6.27 0 -8 10 26.72 5.06 0 8 -10 20.15 4.19 0 8 11 184.8 15.64 0 -8 11 220.72 6.81 0 8 12 6.49 3.02 0 -8 12 3.51 1.27 0 8 13 51.05 5.32 0 -8 13 38.51 6.94 0 8 14 17.39 3.01 0 -8 14 14.16 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7.65 0 9 18 7.68 2.97 0 9 19 5.74 1.66 0 -10 0 339.21 11.09 0 -10 0 317.55 75.84 0 -10 0 333.2 12.95 0 -10 1 6.95 1.73 0 -10 -1 1.98 1.1 0 -10 1 5.94 1.31 0 -10 -1 6.07 1.62 0 -10 1 5.53 2.25 0 -10 -1 5.79 1.55 0 10 2 9.03 2 0 -10 2 5.63 1.31 0 -10 -2 2.89 1.37 0 -10 2 6.7 1.55 0 -10 2 3.44 1.49 0 -10 -2 7.7 1.94 0 10 3 13.37 3.05 0 -10 3 10.79 2.43 0 -10 3 16.61 4.53 0 -10 3 15.62 3.35 0 10 4 34.4 5.75 0 -10 4 32.25 4.68 0 -10 4 33.62 5.15 0 10 5 15.23 2.61 0 -10 5 14.16 2.44 0 -10 5 14.06 2.35 0 10 6 13.09 2.62 0 -10 6 6.02 1.75 0 -10 6 6.27 1.95 0 10 7 212.24 21.09 0 -10 7 224.09 13.61 0 -10 7 245.16 78.25 0 10 8 105.21 8.8 0 -10 8 92.57 3.97 0 -10 8 112.06 7.07 0 10 9 383.17 20.17 0 -10 9 457.94 22.53 0 10 10 1.11 1.55 0 -10 10 1.53 0.56 0 10 11 370.43 26.37 0 10 12 92.24 12.5 0 10 13 332.42 15.37 0 10 14 37.6 5.89 0 10 15 7.09 2.52 0 10 16 3.2 2.87 0 10 17 2.81 2.27 0 10 18 6.44 3.19 0 10 19 7.13 3.17 0 -11 0 1.27 0.99 0 -11 0 -0.64 1 0 -11 0 1.87 3.02 0 -11 1 82.18 8.84 0 -11 -1 70.53 8.01 0 -11 1 83.09 6.99 0 -11 -1 96.23 12.95 0 -11 1 99.59 10.42 0 -11 -1 91.37 13.63 0 11 2 3.08 1.26 0 -11 2 1.49 0.93 0 -11 2 0.97 0.78 0 -11 2 5.77 2.04 0 -11 -2 3.87 2.4 0 11 3 325.05 11.83 0 -11 3 309.06 9.49 0 -11 3 303.85 9.3 0 -11 3 311.69 10.47 0 -11 -3 276.58 10.97 0 11 4 210.16 12.81 0 -11 4 215.16 12.72 0 -11 4 225.5 13.27 0 11 5 160.24 12.59 0 -11 5 145.16 9.25 0 -11 5 141.73 8.39 0 11 6 372.6 11.83 0 -11 6 351.46 9.99 0 -11 6 365.53 10.33 0 11 7 -0.16 2.05 0 -11 7 0.26 0.21 0 -11 7 2.14 0.75 0 11 8 242.7 15.19 0 -11 8 224.73 11.08 0 11 9 12.78 3.22 0 11 10 94.52 7.39 0 11 11 6.5 2.33 0 11 12 99.65 12.48 0 11 13 35.03 5.75 0 11 14 182.11 12.93 0 11 15 5.94 3.6 0 11 16 28.65 4.92 0 11 17 3.32 3.08 0 11 18 21.69 3.87 0 -12 0 26.05 4.17 0 -12 0 20.17 3.42 0 -12 1 4.75 1.68 0 -12 1 2.25 1.18 0 -12 -1 6.02 1.6 0 -12 1 9.85 2.76 0 -12 -1 3.86 2.01 0 -12 2 111.61 6.97 0 -12 -2 109.47 4.84 0 -12 2 120.45 10.35 0 -12 -2 104.74 8.08 0 12 3 21.72 2.89 0 -12 3 11.29 2.72 0 -12 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6.95 2.24 0 -14 -2 157.23 8.02 0 -14 2 189.7 18.85 0 -14 -2 163.88 16.3 0 -14 -3 -1.36 1.69 0 -14 -3 2.22 1.53 0 -14 -4 100.7 9.94 0 -14 -4 143.66 18.45 0 14 5 3.71 1.68 0 -14 -5 3.13 2.16 0 14 6 0.57 1.82 0 -14 -6 -2.53 2.57 0 14 7 16.18 4.45 0 -14 -7 18.34 4.56 0 14 8 10.28 2.7 0 14 9 128.9 9.38 0 14 10 -1.91 2.23 0 14 11 8.73 6.31 0 14 12 3.94 1.39 0 14 13 12.8 3.57 0 14 14 3.12 1.72 0 -15 0 4.49 2.45 0 -15 -1 24.53 6.19 0 -15 1 30.86 4.23 0 -15 -1 44.08 7.17 0 -15 -2 3.58 1.97 0 -15 2 6.37 2.81 0 -15 -2 13.05 3.76 0 -15 -3 0.66 1.37 0 -15 -3 4.3 2.29 0 -15 -4 12.63 3.82 0 -15 -4 19.81 4.57 0 -15 -5 0.02 1.6 0 -15 -5 3.95 2.74 0 -15 -6 11.75 6.51 0 -15 -6 18.45 5.01 0 15 7 11.15 3.23 0 -15 -7 20.35 11.39 0 15 8 17.82 3.62 0 -15 -8 32.66 6.59 0 15 9 53.37 8.56 0 15 10 24.25 15.4 0 15 11 1.87 1.78 0 15 12 25.51 4.3 0 15 13 3.21 1.36 0 15 14 7.96 2.44 0 -16 0 38.15 22.22 0 -16 1 24.2 3.96 0 -16 -1 19.56 5.38 0 -16 -2 73.39 8.09 0 -16 -3 63.59 9.07 0 -16 -4 32.93 4.23 0 -16 -5 24.79 5.6 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17 7.46 2.53 2 -3 17 6.88 2.68 2 3 18 5.48 2.23 2 -3 18 10.36 3.11 2 3 19 2.01 1.94 2 -3 19 5.03 2.85 2 3 20 11.76 2.4 2 -3 20 15.78 2.9 2 3 21 9.95 3.18 2 -3 21 5.12 1.51 2 3 22 4.28 1.33 -2 -4 23 7.11 2.29 -2 4 22 9.08 3.13 -2 -4 22 12.43 2.14 -2 4 21 -1.18 2.82 -2 -4 21 0.94 1.6 -2 4 20 4.22 2.36 -2 -4 20 5.73 2.81 -2 4 19 5.65 2.73 -2 -4 19 4.6 2.29 -2 4 18 10.65 3.2 -2 -4 18 -2.74 1.7 -2 4 17 11.29 3.42 -2 -4 17 17.11 3.02 -2 4 16 154.6 13.4 -2 -4 16 160.97 13.5 -2 4 15 13.18 3.85 -2 -4 15 10.85 4.22 -2 4 14 146.26 11.19 -2 -4 14 149.55 14.21 -2 4 13 4.57 2.29 -2 -4 13 5.77 1.98 -2 4 12 574.4 20.44 -2 -4 12 665.51 21.26 -2 4 11 427.16 74.02 -2 -4 11 378.84 12.13 2 4 -11 330.36 11.1 -2 4 10 245.12 11.6 -2 -4 10 255.08 7.12 2 4 -10 242.7 6.59 -2 4 9 76.75 8.19 -2 -4 9 58.47 5.2 2 4 -9 56.75 5.48 -2 4 8 234.03 8.54 2 -4 -8 212.86 6.32 -2 -4 8 228.5 6.54 2 4 -8 222.56 6.49 -2 4 7 150.39 5.65 2 -4 -7 156.15 5.64 -2 -4 7 161.01 5.85 2 4 -7 160.54 5.6 -2 4 6 491.93 10.47 2 -4 -6 486.01 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2 5 16 44.9 4.93 2 -5 16 39.5 4.69 2 5 17 43.38 6.84 2 -5 17 41.04 6.08 2 5 18 10.73 2.84 2 -5 18 4.6 2.47 2 5 20 5.35 1.54 2 5 21 26.53 4.62 -2 6 22 2.44 2.22 -2 6 21 11.53 3.77 -2 6 20 14.21 3.13 -2 -6 20 14.05 1.99 -2 6 19 78.01 7.56 -2 -6 19 61.62 11.43 -2 6 18 27.83 3.47 -2 -6 18 23.76 5.23 -2 6 17 45.92 5.13 -2 -6 17 35.55 17.72 -2 6 16 17.83 2.39 -2 -6 16 12.29 3.57 -2 6 15 50.41 5.1 -2 -6 15 44.45 5.77 -2 6 14 66.37 6.37 -2 -6 14 78.37 6.45 -2 6 13 22.15 4.06 -2 -6 13 21.73 3.48 -2 6 12 69.08 10.06 -2 -6 12 62 9.22 -2 6 11 170.19 10.82 -2 -6 11 165.12 9.67 2 6 -11 142.68 7.36 -2 6 10 26.36 3.33 -2 -6 10 16.28 3.96 2 6 -10 13.91 3 -2 6 9 162.76 10.52 -2 -6 9 152.93 8.05 2 6 -9 153.8 8.67 -2 6 8 347.38 8.88 -2 -6 8 338.43 8.03 2 6 -8 329.87 33.59 -2 6 7 -0.65 2 -2 -6 7 3.51 0.81 -2 6 6 68.21 7.64 2 -6 -6 53.46 5.22 -2 -6 6 61.53 5.34 2 6 -6 55.82 3.26 -2 6 5 97.9 5.26 2 -6 -5 91.75 6.85 -2 -6 5 94.29 3.6 2 6 -5 98.54 3.61 2 6 -5 77.11 5.73 -2 6 4 4.74 1.17 2 -6 -4 3.4 1.33 -2 -6 4 3.74 0.82 2 6 -4 5.35 1.55 2 6 -4 6.43 1.56 -2 6 3 1144.42 18.01 2 -6 -3 1154.92 17.81 -2 -6 3 1180.13 18.16 -2 -6 3 1211.46 19.44 2 6 -3 1153.2 18.34 -2 -6 2 17.29 2.48 -2 6 2 18.44 2.7 2 -6 -2 20.11 2.95 -2 -6 2 22.37 3.64 -2 -6 2 21.91 3.28 -2 -6 1 1298.97 17.52 -2 6 1 1247.42 16.55 2 -6 -1 1278.54 17.13 -2 -6 1 1265.22 17.75 -2 -6 1 1276.22 17.42 2 -6 -1 1251.28 17.66 -2 6 0 586.07 8.04 -2 -6 0 598.74 8.75 2 -6 0 566.63 7.76 2 -6 0 554.8 9 -2 -6 0 563.97 9.84 2 6 1 1911.49 25.43 -2 6 -1 1878.03 24.13 -2 -6 -1 1939.17 25.79 2 -6 1 1992.4 25.6 2 -6 1 1941.11 25.84 2 6 2 67.53 7.39 -2 -6 -2 62.12 4.3 2 -6 2 60.84 5.67 2 -6 2 63.24 5.31 -2 6 -2 52.24 7.6 2 6 3 1305.92 20.53 2 6 4 13.76 2.84 -2 -6 -4 18.68 2.44 -2 6 -4 16.65 2.65 2 6 5 272.1 9.46 -2 -6 -5 243.71 7.58 -2 6 -5 244.67 8.27 2 6 6 7.42 1.76 2 -6 6 7.02 0.91 2 6 7 334.14 8.67 2 -6 7 330.2 7.15 -2 6 -7 325.92 33.09 2 6 8 29.39 3.89 2 -6 8 25.75 3.46 -2 6 -8 24.79 2.99 2 6 9 254.45 14.54 2 -6 9 261.18 14.01 -2 6 -9 258.26 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-14 -7 107.55 9.14 -4 14 6 8.3 2.58 -4 -14 6 6.16 2.12 4 -14 -6 11.6 3.3 -4 14 5 188.29 11.24 -4 -14 5 202.2 7.85 4 -14 -5 199.84 14.66 -4 14 4 3.26 1.74 -4 -14 4 1.15 1.24 4 -14 -4 -0.17 2.26 -4 -14 3 177.8 8.91 -4 -14 3 197.96 14.15 4 -14 -3 183.22 15.67 -4 -14 2 8.72 2.32 -4 -14 2 10.79 2.48 4 -14 -2 2.89 1.8 -4 -14 1 94.2 10.1 -4 -14 1 100.85 9.81 4 -14 -1 91.25 6.35 -4 -14 0 2.58 1.96 4 -14 0 5.06 1.92 -4 -14 0 9.64 2.69 -4 -14 -1 30.9 4.36 4 -14 1 14.2 3.08 -4 -14 -1 27.31 4.34 -4 -14 -2 2 1.65 -4 -14 -2 11.6 3.61 -4 -14 -3 26 6.27 -4 -14 -3 20.53 4.16 -4 -14 -4 78.84 9.32 -4 -14 -4 104.53 10.79 -4 -14 -5 38.08 7.36 -4 -14 -5 51.01 6.28 -4 -14 -6 299.47 20.42 -4 -14 -6 191.97 17.27 -4 -14 -7 35.84 6.82 -4 -14 -7 41.02 6.69 -4 -14 -8 59.17 10.51 -4 -14 -9 4.16 2.18 4 14 11 6.88 2.73 4 14 12 4.61 1.68 4 14 13 2.35 2.12 -4 15 14 1.99 1.99 -4 15 13 2.62 2.18 -4 15 11 8.58 5.53 -4 15 10 3.89 1.31 4 -15 -10 10.99 4.43 -4 15 9 4.45 2.1 4 -15 -9 2.92 2.08 -4 15 8 35.81 6.39 4 -15 -8 44.17 7.35 4 -15 -7 10.56 4.14 4 -15 -6 128.16 9.19 4 -15 -5 5.57 2.98 4 -15 -4 249.22 16.58 -4 -15 3 1.55 1.43 4 -15 -3 -3.9 2.29 -4 -15 2 263.86 8.84 -4 -15 2 239.11 25.05 4 -15 -2 248.27 19.02 -4 -15 1 31.21 4.81 -4 -15 1 38.53 4.64 4 -15 -1 33.4 5.33 -4 -15 0 66.32 10.67 4 -15 0 84.48 50.74 -4 -15 0 77.57 9.76 -4 -15 -1 44.36 26.25 -4 -15 -1 33.78 6.18 -4 -15 -2 33.26 7.34 -4 -15 -2 53.88 7.65 -4 -15 -3 9.62 3.34 -4 -15 -3 14.62 3.82 -4 -15 -4 1.46 1.69 -4 -15 -4 2.49 2.17 -4 -15 -5 61.61 13.99 -4 -15 -5 91.58 11.45 -4 -15 -6 4.03 1.83 -4 -15 -7 0.41 1.87 -4 -15 -7 4.31 1.98 -4 -15 -8 7.28 2.51 -4 -15 -8 3.43 2.84 -4 -15 -9 5.5 2.29 -4 -15 -10 1.71 1.94 -4 -15 -11 6.27 2.13 -4 -15 -12 2.56 2.22 4 -16 -10 34.14 5.91 4 -16 -9 23.35 3.44 4 -16 -8 40.98 8.76 4 -16 -7 33.61 4.56 4 -16 -6 12.01 3.41 4 -16 -5 4.98 3.25 4 -16 -4 59.08 6.96 4 -16 -3 9.66 2.24 -4 -16 2 5.63 2.88 4 -16 -2 11.51 3.26 -4 -16 1 10.8 2.18 4 -16 -1 5.36 2.32 -4 -16 0 11.82 3.46 4 -16 0 16.56 3.75 -4 -16 0 14.45 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2.21 -5 0 16 -0.74 2.53 -5 0 15 12.33 3.04 -5 0 14 7.11 2.92 -5 0 13 15.84 2.86 -5 0 12 4.1 2.22 -5 0 11 109.99 9.42 -5 0 10 3.98 1.39 -5 0 9 19.39 3.32 -5 0 8 -1.09 1.82 5 0 -8 2.15 1.3 -5 0 7 147.76 6.72 5 0 -7 167.47 6.04 -5 0 6 0.98 1.99 5 0 -6 3.76 2.11 -5 0 5 237.51 6.98 5 0 -5 260.03 7.44 -5 0 4 2.81 1.2 5 0 -4 3.09 1.35 -5 0 3 2098.66 15.57 5 0 -3 2125.87 15.64 -5 0 2 0.67 0.74 5 0 -2 4.55 1.32 5 0 -2 2.18 0.27 -5 0 1 804.94 10.2 5 0 -1 833.75 10.41 -5 0 0 -0.84 1.37 5 0 0 1.66 1.15 -5 0 -1 2564.81 18.38 5 0 1 2604.94 18.57 -5 0 -2 0.73 0.64 -5 0 -2 2 0.64 -5 0 -3 927.76 12.82 -5 0 -3 1001 13.9 -5 0 -4 -0.45 1.02 5 0 5 9.47 1.68 -5 0 -5 11.71 1.66 -5 0 -6 1.29 1.08 5 0 7 174.58 7.42 -5 0 -7 181 5.45 5 0 8 1.98 0.81 -5 0 -8 5.53 1.38 5 0 9 27.79 4.17 5 0 10 0.74 1.27 5 0 11 78.15 9.04 5 0 12 0.63 2.33 5 0 13 224.39 7.91 5 0 14 3.76 1.4 5 0 15 24.12 3.53 5 0 16 3.94 2.05 5 0 17 2.51 1.85 5 0 18 0.95 1.77 5 0 19 8.72 5.97 5 0 20 2.11 1.97 5 0 21 37.99 6.47 5 0 22 2.87 2.19 -5 -1 24 3.29 1.81 -5 1 23 8.8 3.05 -5 -1 23 3.97 1.7 -5 1 22 14.44 4.19 -5 -1 22 18.48 4.37 -5 1 21 10.96 2.49 -5 -1 21 8.49 2.63 -5 1 20 26.4 3.76 -5 -1 20 35.89 6.2 -5 -1 19 11.2 4.21 -5 1 18 63.35 8.5 -5 -1 18 65.27 7.65 -5 1 17 5.62 2.5 -5 -1 17 4.57 2.49 -5 1 16 100.97 8.81 -5 1 15 35.57 4.8 -5 -1 15 34 4.37 -5 1 14 278.15 10.64 -5 -1 14 289.77 20.71 -5 1 13 206.09 15.28 -5 -1 13 205.09 15.42 -5 1 12 27.97 4.52 -5 -1 12 17.66 2.89 -5 1 11 68.95 6.68 -5 -1 11 60.97 8.89 -5 1 10 35.54 4.65 -5 -1 10 36.39 4.02 -5 1 9 285.27 8.42 -5 -1 9 270.05 9.64 -5 1 8 35.73 4.01 -5 -1 8 45.51 5.85 5 -1 -8 31.31 3.96 5 1 -8 28.37 5.3 -5 1 7 236.16 8.29 -5 -1 7 224.54 7.88 5 -1 -7 234.24 8.08 5 1 -7 232.2 8 -5 1 6 103.55 6.48 -5 -1 6 88.82 5.36 5 -1 -6 82.54 5.39 5 1 -6 78.85 3.11 -5 -1 5 154.3 5.2 5 -1 -5 151.14 5.14 5 1 -5 163.66 4.96 -5 1 4 79.72 7.01 -5 -1 4 74.24 7.35 5 -1 -4 68.98 6.17 5 1 -4 69.26 2.59 -5 1 3 17.97 1.98 -5 -1 3 18.49 2.03 5 -1 -3 16.78 1.95 5 1 -3 15.33 1.86 5 1 -3 16.67 1.67 -5 1 2 794.66 10.5 -5 -1 2 791.3 10.37 5 -1 -2 824.02 10.27 5 1 -2 799.98 10.15 5 1 -2 782.69 9.27 -5 1 1 98.28 6.76 -5 -1 1 75.4 3.15 5 -1 -1 84.99 5.21 5 1 -1 77.13 3.08 -5 -1 1 76.42 2.6 -5 1 0 62.21 3.31 -5 -1 0 68.49 6.98 5 -1 0 61.9 3.79 5 1 0 59.08 3.91 -5 -1 -1 76.96 6.81 -5 1 -1 74.97 3.83 -5 -1 -1 78.01 3.24 5 -1 1 88.46 3.27 -5 1 -2 603.89 8.73 -5 -1 -2 604.79 8.73 -5 1 -2 580.98 8.15 -5 -1 -2 588.95 8.61 -5 1 -3 44.7 2.87 -5 -1 -3 44.23 3.24 -5 1 -3 43.83 2.68 -5 -1 -3 53.61 7.62 5 1 4 1122.4 16.65 -5 -1 -4 1140.43 15.69 -5 1 -4 1158.66 15.76 -5 1 -4 1106.22 15.77 5 -1 5 17.72 2.64 5 1 5 17.13 3 -5 -1 -5 14.61 1.89 -5 1 -5 21.64 3.15 5 -1 6 509.65 10.3 5 1 6 497.29 10.23 -5 -1 -6 515.67 9.9 -5 1 -6 537.84 10.14 5 -1 7 77.91 4.49 5 1 7 84.91 10.1 -5 -1 -7 76.93 7.55 -5 1 -7 74.15 7.71 5 -1 8 61.18 6.67 -5 1 -8 42.57 6.18 5 -1 9 33.03 4.77 5 1 9 34.95 5.15 -5 1 -9 24.36 3.38 5 -1 10 15.6 3.84 5 1 10 20.02 2.76 5 -1 11 386.97 10.13 5 1 11 382.65 10.2 5 -1 12 41.1 6.95 5 1 12 41.58 8 5 -1 13 153.08 16.13 5 1 13 146.29 15.82 5 -1 14 3.32 1.6 5 1 14 6.22 1.81 5 1 15 20.75 3.82 5 -1 15 21.43 3.97 5 -1 16 2.66 1.44 5 1 16 4.03 1.79 5 1 17 4.35 2.96 5 -1 18 4.45 2.42 5 1 18 1.7 2.17 5 -1 19 4.41 2.66 5 1 19 4.67 2.26 5 -1 20 2.72 2.19 5 1 20 1.84 1.63 5 -1 21 3.98 1.93 5 1 21 4.66 2.39 5 1 22 -0.11 2.18 -5 -2 24 2.1 1.82 -5 2 23 10.74 4.31 -5 -2 23 9.96 2.69 -5 2 22 -4.84 2.38 -5 -2 22 6.21 2.28 -5 -2 21 2.51 1.88 -5 2 20 4.97 2.86 -5 -2 20 4.61 2.55 -5 2 19 8.09 2.86 -5 -2 19 5.38 2.05 -5 2 18 32.04 5.34 -5 -2 18 31.61 6.38 -5 2 17 9.23 2.5 -5 -2 17 0.88 2.7 -5 2 16 185.96 14.43 -5 -2 16 172.95 14.52 -5 2 15 62.87 12.55 -5 -2 15 63.45 5.81 -5 2 14 40.88 7.2 -5 -2 14 45.86 7.23 -5 2 13 151.91 13.82 -5 2 12 296.38 16.3 -5 -2 12 303.23 16.64 -5 2 11 172.52 10.93 -5 -2 11 205.07 7.43 -5 2 10 530.54 12.4 -5 -2 10 490.72 13.71 -5 2 9 32.79 4.72 -5 -2 9 31.88 4.01 -5 2 8 1642.03 133.36 -5 -2 8 1639.37 133.28 5 -2 -8 1479.25 26.28 5 2 -8 1566.52 27.78 -5 2 7 2.4 1.19 -5 -2 7 4.64 1.65 5 -2 -7 3.61 1.02 5 2 -7 3.12 1.49 -5 2 6 1847.34 24.76 5 -2 -6 1858.03 24.7 -5 -2 6 1808.59 24.19 5 2 -6 1819.75 24.19 -5 2 5 50.96 4.61 5 -2 -5 42.73 5.4 -5 -2 5 39.48 4.41 5 2 -5 34.64 3.81 -5 2 4 1917.58 25.71 5 -2 -4 2009.1 26.38 -5 -2 4 2003 26.5 5 2 -4 1943.76 25.61 5 2 -4 2014.37 26.19 -5 2 3 35.4 3.88 5 -2 -3 28.49 2.87 -5 -2 3 33.52 3.79 5 2 -3 25.82 3.36 5 2 -3 29.66 2.12 -5 2 2 1572.64 11.98 5 -2 -2 1572.17 11.63 -5 -2 2 1589.54 12.38 5 2 -2 1558.47 11.89 -5 2 1 100.22 3.6 5 -2 -1 103.54 3.7 -5 -2 1 101.25 4.49 5 2 -1 106.51 3.88 5 -2 -1 104.13 3.36 -5 -2 1 104.58 3.55 -5 -2 0 3102.43 22.27 5 2 0 3146 22.44 -5 -2 -1 158.29 4.74 -5 2 -1 174.95 5.39 -5 -2 -1 156.32 4.9 5 -2 1 162.47 5.06 -5 2 -1 154.77 4.26 -5 2 -2 7.33 0.89 -5 -2 -2 7.56 1.03 -5 2 -2 8.77 1.04 -5 2 -3 227.37 6.39 -5 -2 -3 241.61 7.01 -5 2 -3 215.06 6.05 -5 -2 -3 197 6.02 5 2 4 64.2 6.15 -5 -2 -4 61.86 4.51 -5 2 -4 69.11 5.32 -5 2 -4 62.03 2.66 5 2 5 173.86 7.38 -5 -2 -5 164.35 5.93 -5 2 -5 167.65 6.13 -5 2 -5 168.45 5.87 5 -2 6 69.83 5.32 5 2 6 77.39 9.2 -5 -2 -6 77.67 6.88 -5 2 -6 64.59 3.57 5 -2 7 53.55 6.72 5 2 7 54.16 6.09 -5 2 -7 47.2 5.59 5 -2 8 5.76 1.42 5 2 8 6.48 2.01 -5 2 -8 4.66 1.1 5 -2 9 1.17 1.03 5 2 9 -1.27 1.91 -5 2 -9 1.96 0.85 5 -2 10 137.82 11.77 -5 2 -10 100.31 10.59 5 -2 11 51.27 14.96 5 -2 12 97.6 14.58 5 2 12 101.82 14.34 5 -2 13 23.74 3.51 5 2 13 15.02 3.68 5 -2 14 146.72 14.94 5 2 14 138.68 10.76 5 -2 15 6.55 3.01 5 2 15 2.58 1.93 5 -2 16 91.44 7.97 5 2 16 80.15 5.95 5 -2 17 -1.62 1.85 5 2 17 5.27 2.46 5 -2 18 94.64 8.58 5 2 18 100 12.4 5 -2 19 3.58 3.11 5 2 19 1.81 1.74 5 -2 20 19.64 4.7 5 2 20 33.13 5.27 5 2 21 17.79 2.96 5 2 22 3.54 2.12 -5 -3 24 3.11 1.91 -5 3 23 8.61 2.88 -5 -3 23 3.27 1.63 -5 3 22 6.88 3.46 -5 -3 22 7.32 2.68 -5 3 21 5.46 2.5 -5 -3 21 -0.65 2.24 -5 3 20 16.59 4.58 -5 -3 20 14.71 4.16 -5 3 19 4.02 2.95 -5 -3 19 7.56 1.97 -5 3 18 38.89 5.13 -5 -3 18 37.47 5.99 -5 3 17 30.5 4.7 -5 -3 17 22.82 3.34 -5 3 16 164.68 16.53 -5 -3 16 148.84 12.05 -5 3 15 109.71 13.17 -5 3 14 213.19 14.71 -5 -3 14 230.14 14.15 -5 3 13 61.65 8.14 -5 -3 13 61.83 7.23 -5 3 12 5.11 2.21 -5 -3 12 5.99 2.33 -5 3 11 593.28 10.04 -5 3 10 148.74 11.79 -5 -3 10 118.15 9.11 -5 3 9 211.24 6.31 -5 -3 9 215.35 8.52 -5 3 8 -0.09 1.79 -5 -3 8 0.59 1.61 5 3 -8 2.74 1.14 -5 3 7 1270.46 19.9 5 -3 -7 1255.25 19.64 -5 -3 7 1226.25 19.55 5 3 -7 1264.03 19.71 -5 3 6 6.51 2.25 5 -3 -6 0.77 0.68 -5 -3 6 3.63 1.37 5 3 -6 0.51 1.21 5 -3 -5 1716.06 23.11 -5 -3 5 1688.06 22.65 5 3 -5 1749.19 23.26 5 3 -5 1722.8 23.16 -5 3 4 177.19 5.41 5 -3 -4 165.91 4.95 -5 -3 4 163.85 6.22 5 3 -4 156.65 5.26 5 3 -4 171.35 4.93 5 -3 -3 973.63 13.27 -5 -3 3 974.94 13.56 5 3 -3 986.15 13.59 -5 3 2 148.35 4.61 5 -3 -2 159.3 4.62 -5 -3 2 147.14 5.04 5 3 -2 148.83 4.57 -5 -3 2 142.75 4.23 -5 3 1 414.64 36.44 5 -3 -1 427.99 37.59 -5 -3 1 439.76 7 5 3 -1 450.42 7.03 5 -3 -1 427.54 37.55 -5 -3 1 404.18 35.51 -5 -3 0 19.36 2.09 -5 3 0 21.51 2.64 5 -3 0 24.02 2.44 -5 -3 0 28.12 3.12 -5 3 -1 101.73 3.08 5 -3 1 104.79 3.12 -5 -3 -1 91.05 4.92 -5 3 -1 109.68 3.23 -5 3 -2 10.45 1.26 -5 -3 -2 11.35 1.22 -5 3 -2 12.4 1.73 -5 -3 -2 12.14 1.91 -5 3 -2 12.07 1.5 -5 3 -3 17.93 1.98 -5 -3 -3 15.41 1.86 -5 3 -3 14.81 1.6 -5 -3 -3 15.18 1.83 -5 3 -3 14.44 2.09 5 3 4 1295.67 20.38 -5 -3 -4 1314.16 21.33 -5 3 -4 1347.06 20.39 -5 3 -4 1337.7 20.48 5 3 5 28.07 4.27 -5 -3 -5 25.44 3.31 -5 3 -5 33.29 3.73 -5 3 -5 37.08 5.19 5 3 6 577.68 11.49 -5 3 -6 626.14 11.39 -5 3 -6 615.98 11.29 5 -3 7 111.25 8.15 5 3 7 108.37 10.88 -5 3 -7 112.2 8.22 5 -3 8 466.5 7.35 5 3 8 476.16 8.67 -5 3 -8 469.79 7.29 5 -3 9 72.11 5.44 5 3 9 69.52 7.29 -5 3 -9 63.12 7.26 5 -3 10 6.75 1.56 5 3 10 9.03 2.85 -5 3 -10 3.15 1.1 5 -3 11 170.26 8.97 5 3 11 167.28 13.22 -5 3 -11 150.53 7.75 5 -3 12 37.36 5.97 5 3 12 31.53 5.29 5 -3 13 45.12 4.71 5 3 13 48.55 4.88 5 -3 14 10.99 2.58 5 3 14 15.27 3.53 5 -3 15 96.92 8.22 5 3 15 98.45 12.42 5 -3 16 -0.32 1.88 5 3 16 -2.59 2.16 5 -3 17 34.66 4.78 5 3 17 36.76 5.17 5 -3 18 8.12 2.5 5 3 18 21.09 11.85 5 -3 19 1.97 1.6 5 3 19 -2.34 2.28 5 3 20 2.15 2.34 5 3 21 4.44 2.15 -5 -4 23 2.16 1.91 -5 4 22 9.31 2.76 -5 -4 22 7.53 2.3 -5 4 21 34.12 5.38 -5 -4 21 18.49 4.34 -5 4 20 31.88 5.36 -5 -4 20 35.96 4.99 -5 4 19 69.51 7.35 -5 -4 19 60.89 9.83 -5 4 18 70.58 8.74 -5 -4 18 60.25 6.8 -5 4 17 76.42 7.2 -5 -4 17 59.73 5.53 -5 4 16 3.44 1.66 -5 -4 16 -0.73 2.29 -5 4 15 163.05 12.03 -5 -4 15 158.54 10.92 -5 4 14 8.84 2.57 -5 -4 14 11.18 2.78 -5 4 13 299.91 16.27 -5 -4 13 281.47 9.51 -5 4 12 73.8 9 -5 -4 12 62.42 7.38 -5 4 11 302.95 20.95 -5 -4 11 268.89 14.77 -5 4 10 81.21 10.25 -5 -4 10 71.08 7.69 -5 4 9 41.48 5.13 -5 4 8 57.6 6.7 -5 -4 8 49.7 5.88 5 4 -8 36.15 5.61 -5 4 7 12.99 2.15 5 -4 -7 8.74 1.51 -5 -4 7 8.44 1.54 5 4 -7 6.77 1.15 5 4 -7 7.86 1.76 -5 4 6 223.68 7.91 5 -4 -6 225.65 12.05 -5 -4 6 218.38 7.7 5 4 -6 228.2 7.86 5 4 -6 226.88 7.75 -5 4 5 14.41 2.07 5 -4 -5 7.13 1.34 -5 -4 5 14.32 2.25 5 4 -5 8.7 1.47 5 4 -5 10.29 1.49 -5 4 4 394.89 7.3 5 -4 -4 422.15 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3 341.62 10.71 -12 -5 3 306.56 14.4 -12 5 2 85.84 5.76 -12 -5 2 92.89 12.67 -12 5 1 513.38 15.63 -12 -5 1 506.85 18.52 -12 5 0 109.87 5.03 -12 -5 0 125.36 13.55 -12 -5 0 95.81 5.6 -12 5 -1 262.4 13.41 -12 -5 -1 260.7 22.05 -12 -5 -1 258.87 13.34 -12 5 -2 2.34 1.67 -12 -5 -2 4.61 2.87 -12 -5 -2 0.77 0.87 -12 5 -3 80.34 5.8 -12 -5 -3 101.72 12.89 -12 -5 -3 89.14 6.15 -12 -5 -4 13.04 3.38 -12 -5 -5 8.25 2.64 -12 5 -6 20.94 3.15 -12 -5 -6 21.09 4.12 -12 5 -7 -0.28 0.85 -12 -5 -7 7.21 2.44 -12 -5 -8 81.65 9.21 -12 -5 -9 -3.75 2.52 -12 -5 -10 10.15 2.69 -12 -5 -11 10.4 3.57 -12 -5 -12 7.56 2.93 -12 -5 -13 2.4 1.9 -12 -5 -14 2.08 2.19 -12 -5 -15 2.13 1.75 -12 -6 20 4.82 1.74 -12 6 19 1.59 2.63 -12 -6 19 6.45 2.38 -12 6 18 73.5 12 -12 -6 18 69.01 13.08 -12 6 17 39.97 6.25 -12 -6 17 32.23 5.61 -12 6 16 42.28 7.39 -12 -6 16 40.63 6.82 -12 6 15 68.97 12.98 -12 -6 15 65.71 11.49 -12 6 14 4.83 2.51 -12 -6 14 4 3.33 -12 6 13 276.43 15.07 -12 -6 13 286.65 21.4 -12 6 12 8.2 4.65 -12 6 11 118.97 14.73 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