#------------------------------------------------------------------------------ #$Date: 2019-11-26 03:41:21 +0200 (Tue, 26 Nov 2019) $ #$Revision: 242527 $ #$URL: file:///home/coder/svn-repositories/cod/cif/4/13/25/4132573.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_4132573 loop_ _publ_author_name 'Zhou, Jiong' 'Zhang, Yuzhen' 'Yu, Guocan' 'Crawley, Matthew R.' 'Fulong, Cressa Ria P.' 'Friedman, Alan E.' 'Sengupta, Sanghamitra' 'Sun, Jifu' 'Li, Qing' 'Huang, Feihe' 'Cook, Timothy R.' _publ_section_title ; Highly Emissive Self-Assembled BODIPY-Platinum Supramolecular Triangles. ; _journal_issue 24 _journal_name_full 'Journal of the American Chemical Society' _journal_page_first 7730 _journal_page_last 7736 _journal_paper_doi 10.1021/jacs.8b04929 _journal_volume 140 _journal_year 2018 _chemical_formula_moiety 'C19 H17 B F2 I2 N2' _chemical_formula_sum 'C19 H17 B F2 I2 N2' _chemical_formula_weight 575.96 _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 _atom_sites_solution_primary direct _audit_creation_date 2018-02-03 _audit_creation_method ; Olex2 1.2 (compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381) ; _cell_angle_alpha 90 _cell_angle_beta 90.8090(12) _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 11.4365(4) _cell_length_b 12.9084(5) _cell_length_c 13.2216(5) _cell_measurement_reflns_used 9880 _cell_measurement_temperature 100.02 _cell_measurement_theta_max 28.407 _cell_measurement_theta_min 3.082 _cell_volume 1951.67(13) _computing_cell_refinement 'SAINT v8.37A (Bruker, 2015)' _computing_data_reduction 'SAINT v8.37A (Bruker, 2015)' _computing_molecular_graphics 'Olex2 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 (Dolomanov et al., 2009)' _computing_structure_refinement 'ShelXL (Sheldrick, 2015)' _computing_structure_solution 'ShelXS (Sheldrick, 2008)' _diffrn_ambient_temperature 100.02 _diffrn_detector 'Bruker AXS CMOS-type PHOTON 100 detector' _diffrn_detector_area_resol_mean 10.42 _diffrn_detector_type 'CMOS area detector' _diffrn_measured_fraction_theta_full 0.998 _diffrn_measured_fraction_theta_max 0.997 _diffrn_measurement_device 'three-circle diffractometer' _diffrn_measurement_device_type 'Bruker D8 Venture PHOTON 100' _diffrn_measurement_method '\f and \w scans' _diffrn_radiation_collimation '0.2 mm sinlge-pinhole' _diffrn_radiation_monochromator 'Bruker AXS TRIUMPH monochromator' _diffrn_radiation_probe x-ray _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0285 _diffrn_reflns_av_unetI/netI 0.0156 _diffrn_reflns_Laue_measured_fraction_full 0.998 _diffrn_reflns_Laue_measured_fraction_max 0.997 _diffrn_reflns_limit_h_max 15 _diffrn_reflns_limit_h_min -15 _diffrn_reflns_limit_k_max 17 _diffrn_reflns_limit_k_min -17 _diffrn_reflns_limit_l_max 16 _diffrn_reflns_limit_l_min -17 _diffrn_reflns_number 37194 _diffrn_reflns_point_group_measured_fraction_full 0.998 _diffrn_reflns_point_group_measured_fraction_max 0.997 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 28.405 _diffrn_reflns_theta_min 2.821 _diffrn_source 'Mo sealed tube' _diffrn_source_type 'sealed tube' _diffrn_standards_number 0 _exptl_absorpt_coefficient_mu 3.246 _exptl_absorpt_correction_T_max 0.7457 _exptl_absorpt_correction_T_min 0.6031 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details 'SADABS-2014/5 (Bruker,2014/5) was used for absorption correction. wR2(int) was 0.0758 before and 0.0410 after correction. The Ratio of minimum to maximum transmission is 0.8088. The \l/2 correction factor is Not present.' _exptl_crystal_colour 'clear violet' _exptl_crystal_colour_lustre clear _exptl_crystal_colour_primary violet _exptl_crystal_density_diffrn 1.960 _exptl_crystal_description plate _exptl_crystal_F_000 1096 _exptl_crystal_recrystallization_method 'Vapor Diffusion of n-Hexane to DCM' _exptl_crystal_size_max 0.23 _exptl_crystal_size_mid 0.21 _exptl_crystal_size_min 0.14 _refine_diff_density_max 1.401 _refine_diff_density_min -0.944 _refine_diff_density_rms 0.103 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.068 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 239 _refine_ls_number_reflns 4891 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.068 _refine_ls_R_factor_all 0.0252 _refine_ls_R_factor_gt 0.0215 _refine_ls_shift/su_max 0.003 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0290P)^2^+2.5864P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0540 _refine_ls_wR_factor_ref 0.0558 _reflns_Friedel_coverage 0.000 _reflns_number_gt 4457 _reflns_number_total 4891 _reflns_threshold_expression 'I > 2\s(I)' _iucr_refine_instructions_details ; 2.res created by SHELXL-2014/7 TITL 2 in P21/n #14 REM reset to P21/n #14 CELL 0.71073 11.4365 12.9084 13.2216 90 90.809 90 ZERR 4 0.0004 0.0005 0.0005 0 0.0012 0 LATT 1 SYMM 0.5-X,0.5+Y,0.5-Z SFAC C H B F I N UNIT 76 68 4 8 8 8 L.S. 12 PLAN 20 SIZE 0.14 0.21 0.23 TEMP -173.13 BOND fmap 2 ACTA REM REM REM WGHT 0.029000 2.586400 FVAR 0.09444 I1 5 0.214941 0.589684 0.704519 11.00000 0.01667 0.02180 = 0.02432 -0.00460 -0.00968 0.00851 I2 5 0.923594 0.200338 1.101729 11.00000 0.02088 0.02517 = 0.01704 0.00151 -0.00511 0.01073 F1 4 0.424419 0.354676 1.057467 11.00000 0.01588 0.02548 = 0.01287 -0.00224 0.00516 0.00081 F2 4 0.434048 0.232310 0.935179 11.00000 0.01461 0.01219 = 0.01979 -0.00093 -0.00157 -0.00445 N1 6 0.447344 0.410975 0.884890 11.00000 0.00740 0.01238 = 0.01288 -0.00037 0.00097 -0.00068 N2 6 0.610926 0.324613 0.978238 11.00000 0.00989 0.01140 = 0.01047 0.00052 0.00078 -0.00154 C1 1 0.340600 0.446208 0.858845 11.00000 0.00972 0.01523 = 0.01569 -0.00540 -0.00146 0.00202 C2 1 0.351971 0.514877 0.776704 11.00000 0.01105 0.01416 = 0.01566 -0.00176 -0.00379 0.00370 C3 1 0.468684 0.520810 0.749907 11.00000 0.01316 0.01235 = 0.01458 -0.00041 -0.00236 0.00133 C4 1 0.528907 0.454370 0.819246 11.00000 0.01072 0.01086 = 0.01177 0.00024 0.00006 -0.00069 C5 1 0.647530 0.432448 0.831554 11.00000 0.01007 0.00970 = 0.01105 -0.00113 0.00001 -0.00144 C6 1 0.688983 0.369718 0.910165 11.00000 0.00927 0.01063 = 0.01287 -0.00030 0.00060 -0.00154 C7 1 0.804570 0.339237 0.938910 11.00000 0.00992 0.01243 = 0.01424 -0.00072 -0.00117 -0.00019 C8 1 0.791451 0.276139 1.022681 11.00000 0.01230 0.01395 = 0.01419 0.00032 -0.00402 0.00241 C9 1 0.672063 0.267697 1.045388 11.00000 0.01485 0.01177 = 0.01141 -0.00136 -0.00180 -0.00086 C10 1 0.731800 0.473990 0.756905 11.00000 0.00857 0.01326 = 0.01151 0.00190 0.00070 0.00061 C11 1 0.783476 0.570228 0.769711 11.00000 0.01801 0.01401 = 0.01510 0.00036 0.00311 -0.00105 AFIX 43 H11 2 0.765750 0.611132 0.827225 11.00000 -1.20000 AFIX 0 C12 1 0.861470 0.606929 0.698130 11.00000 0.01824 0.01542 = 0.02250 0.00390 0.00375 -0.00376 AFIX 43 H12 2 0.897411 0.672697 0.707143 11.00000 -1.20000 AFIX 0 C13 1 0.886736 0.547793 0.613881 11.00000 0.01530 0.02577 = 0.01771 0.00722 0.00530 0.00050 AFIX 43 H13 2 0.939772 0.573167 0.565083 11.00000 -1.20000 AFIX 0 C14 1 0.834828 0.451645 0.600567 11.00000 0.01921 0.02702 = 0.01484 -0.00321 0.00409 0.00245 AFIX 43 H14 2 0.852037 0.411273 0.542574 11.00000 -1.20000 AFIX 0 C15 1 0.757708 0.414418 0.672019 11.00000 0.01622 0.01553 = 0.01707 -0.00260 0.00216 -0.00188 AFIX 43 H15 2 0.722503 0.348319 0.663162 11.00000 -1.20000 AFIX 0 C16 1 0.231578 0.412849 0.909357 11.00000 0.01068 0.02684 = 0.02219 -0.00270 0.00272 0.00035 AFIX 137 H16A 2 0.232894 0.337560 0.918845 11.00000 -1.50000 H16B 2 0.163790 0.431984 0.867209 11.00000 -1.50000 H16C 2 0.226175 0.447008 0.975321 11.00000 -1.50000 AFIX 0 C17 1 0.517084 0.585365 0.666837 11.00000 0.01864 0.02292 = 0.02380 0.01055 -0.00362 0.00337 AFIX 137 H17A 2 0.564895 0.641223 0.695883 11.00000 -1.50000 H17B 2 0.452658 0.615220 0.626815 11.00000 -1.50000 H17C 2 0.565504 0.542073 0.623228 11.00000 -1.50000 AFIX 0 C18 1 0.918279 0.370189 0.892493 11.00000 0.00808 0.02219 = 0.02530 0.00472 0.00136 0.00240 AFIX 137 H18A 2 0.928898 0.445223 0.899193 11.00000 -1.50000 H18B 2 0.917453 0.351269 0.820704 11.00000 -1.50000 H18C 2 0.982775 0.334299 0.927257 11.00000 -1.50000 AFIX 0 C19 1 0.616867 0.207006 1.128032 11.00000 0.02059 0.01953 = 0.01539 0.00503 -0.00121 -0.00283 AFIX 137 H19A 2 0.629172 0.242867 1.192641 11.00000 -1.50000 H19B 2 0.652364 0.137979 1.131590 11.00000 -1.50000 H19C 2 0.532805 0.200302 1.114154 11.00000 -1.50000 AFIX 0 B1 3 0.475625 0.329130 0.966810 11.00000 0.00927 0.01209 = 0.01073 -0.00195 0.00042 -0.00221 HKLF 4 REM 2 in P21/n #14 REM R1 = 0.0215 for 4457 Fo > 4sig(Fo) and 0.0252 for all 4891 data REM 239 parameters refined using 0 restraints END WGHT 0.0290 2.5863 REM Highest difference peak 1.401, deepest hole -0.944, 1-sigma level 0.103 Q1 1 0.1779 0.5576 0.7428 11.00000 0.05 1.40 Q2 1 0.9609 0.2371 1.0677 11.00000 0.05 0.75 Q3 1 0.9442 0.2584 1.0915 11.00000 0.05 0.72 Q4 1 0.2703 0.6300 0.6521 11.00000 0.05 0.54 Q5 1 0.2497 0.5583 0.6636 11.00000 0.05 0.52 Q6 1 0.4900 0.4368 0.8633 11.00000 0.05 0.45 Q7 1 0.9279 0.1199 1.0945 11.00000 0.05 0.44 Q8 1 0.4087 0.5187 0.7577 11.00000 0.05 0.44 Q9 1 0.6869 0.4539 0.7973 11.00000 0.05 0.43 Q10 1 0.8823 0.2312 1.1480 11.00000 0.05 0.43 Q11 1 0.5746 0.2497 1.1617 11.00000 0.05 0.39 Q12 1 0.7481 0.4415 0.7179 11.00000 0.05 0.38 Q13 1 0.4993 0.4837 0.7745 11.00000 0.05 0.38 Q14 1 0.1878 0.3367 0.8673 11.00000 0.05 0.38 Q15 1 0.6546 0.3419 0.9378 11.00000 0.05 0.37 Q16 1 0.2187 0.6673 0.7069 11.00000 0.05 0.37 Q17 1 0.2356 0.3791 0.9588 11.00000 0.05 0.37 Q18 1 0.7406 0.5276 0.7520 11.00000 0.05 0.37 Q19 1 0.5648 0.1528 1.1014 11.00000 0.05 0.37 Q20 1 0.8138 0.5819 0.7322 11.00000 0.05 0.36 REM The information below was added by Olex2. REM REM R1 = 0.0215 for 4457 Fo > 4sig(Fo) and 0.0252 for all 38192 data REM n/a parameters refined using n/a restraints REM Highest difference peak 1.40, deepest hole -0.94 REM Mean Shift 0, Max Shift -0.003. REM +++ Tabular Listing of Refinement Information +++ REM R1_all = 0.0252 REM R1_gt = 0.0215 REM wR_ref = 0.0558 REM GOOF = 1.068 REM Shift_max = -0.003 REM Shift_mean = 0 REM Reflections_all = 38192 REM Reflections_gt = 4457 REM Parameters = n/a REM Hole = -0.94 REM Peak = 1.40 REM Flack = n/a ; _cod_data_source_file ja8b04929_si_003.cif _cod_data_source_block 2 _cod_database_code 4132573 _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 0.659 _shelx_estimated_absorpt_t_min 0.522 _olex2_refinement_description ; 1. Fixed Uiso At 1.2 times of: All C(H) groups At 1.5 times of: All C(H,H,H) groups 2.a Aromatic/amide H refined with riding coordinates: C11(H11), C12(H12), C13(H13), C14(H14), C15(H15) 2.b Idealised Me refined as rotating group: C16(H16A,H16B,H16C), C17(H17A,H17B,H17C), C18(H18A,H18B,H18C), C19(H19A,H19B, H19C) ; _olex2_exptl_crystal_mounting_method 'MiTeGen MicroLoop' _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 I1 I 0.21494(2) 0.58968(2) 0.70452(2) 0.02103(5) Uani 1 1 d . I2 I 0.92359(2) 0.20034(2) 1.10173(2) 0.02108(5) Uani 1 1 d . F1 F 0.42442(11) 0.35468(11) 1.05747(10) 0.0180(3) Uani 1 1 d . F2 F 0.43405(11) 0.23231(10) 0.93518(10) 0.0155(3) Uani 1 1 d . N1 N 0.44734(15) 0.41097(14) 0.88489(14) 0.0109(3) Uani 1 1 d . N2 N 0.61093(15) 0.32461(14) 0.97824(13) 0.0106(3) Uani 1 1 d . C1 C 0.34060(18) 0.44621(17) 0.85884(16) 0.0136(4) Uani 1 1 d . C2 C 0.35197(18) 0.51488(17) 0.77670(16) 0.0137(4) Uani 1 1 d . C3 C 0.46868(18) 0.52081(17) 0.74991(16) 0.0134(4) Uani 1 1 d . C4 C 0.52891(18) 0.45437(16) 0.81925(15) 0.0111(4) Uani 1 1 d . C5 C 0.64753(18) 0.43245(16) 0.83155(15) 0.0103(4) Uani 1 1 d . C6 C 0.68898(17) 0.36972(16) 0.91017(15) 0.0109(4) Uani 1 1 d . C7 C 0.80457(18) 0.33924(17) 0.93891(16) 0.0122(4) Uani 1 1 d . C8 C 0.79145(18) 0.27614(17) 1.02268(16) 0.0135(4) Uani 1 1 d . C9 C 0.67206(18) 0.26770(17) 1.04539(16) 0.0127(4) Uani 1 1 d . C10 C 0.73180(17) 0.47399(17) 0.75691(15) 0.0111(4) Uani 1 1 d . C11 C 0.7835(2) 0.57023(18) 0.76971(17) 0.0157(4) Uani 1 1 d . H11 H 0.7657 0.6111 0.8272 0.019 Uiso 1 1 calc R C12 C 0.8615(2) 0.60693(18) 0.69813(18) 0.0187(5) Uani 1 1 d . H12 H 0.8974 0.6727 0.7071 0.022 Uiso 1 1 calc R C13 C 0.8867(2) 0.5478(2) 0.61388(18) 0.0195(5) Uani 1 1 d . H13 H 0.9398 0.5732 0.5651 0.023 Uiso 1 1 calc R C14 C 0.8348(2) 0.4516(2) 0.60057(18) 0.0203(5) Uani 1 1 d . H14 H 0.8520 0.4113 0.5426 0.024 Uiso 1 1 calc R C15 C 0.7577(2) 0.41442(18) 0.67202(17) 0.0163(4) Uani 1 1 d . H15 H 0.7225 0.3483 0.6632 0.020 Uiso 1 1 calc R C16 C 0.2316(2) 0.4128(2) 0.90936(19) 0.0199(5) Uani 1 1 d . H16A H 0.2329 0.3376 0.9188 0.030 Uiso 1 1 calc GR H16B H 0.1638 0.4320 0.8672 0.030 Uiso 1 1 calc GR H16C H 0.2262 0.4470 0.9753 0.030 Uiso 1 1 calc GR C17 C 0.5171(2) 0.5854(2) 0.66684(19) 0.0218(5) Uani 1 1 d . H17A H 0.5649 0.6412 0.6959 0.033 Uiso 1 1 calc GR H17B H 0.4527 0.6152 0.6268 0.033 Uiso 1 1 calc GR H17C H 0.5655 0.5421 0.6232 0.033 Uiso 1 1 calc GR C18 C 0.91828(18) 0.37019(19) 0.89249(18) 0.0185(4) Uani 1 1 d . H18A H 0.9289 0.4452 0.8992 0.028 Uiso 1 1 calc GR H18B H 0.9175 0.3513 0.8207 0.028 Uiso 1 1 calc GR H18C H 0.9828 0.3343 0.9273 0.028 Uiso 1 1 calc GR C19 C 0.6169(2) 0.20701(19) 1.12803(17) 0.0185(4) Uani 1 1 d . H19A H 0.6292 0.2429 1.1926 0.028 Uiso 1 1 calc GR H19B H 0.6524 0.1380 1.1316 0.028 Uiso 1 1 calc GR H19C H 0.5328 0.2003 1.1142 0.028 Uiso 1 1 calc GR B1 B 0.4756(2) 0.32913(18) 0.96681(17) 0.0107(4) 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 I1 0.01667(8) 0.02180(9) 0.02432(9) -0.00460(6) -0.00968(6) 0.00851(5) I2 0.02088(8) 0.02517(9) 0.01704(8) 0.00151(6) -0.00511(6) 0.01073(6) F1 0.0159(6) 0.0255(7) 0.0129(6) -0.0022(5) 0.0052(5) 0.0008(5) F2 0.0146(6) 0.0122(6) 0.0198(6) -0.0009(5) -0.0016(5) -0.0044(5) N1 0.0074(8) 0.0124(8) 0.0129(8) -0.0004(6) 0.0010(6) -0.0007(6) N2 0.0099(8) 0.0114(8) 0.0105(8) 0.0005(6) 0.0008(6) -0.0015(6) C1 0.0097(9) 0.0152(10) 0.0157(10) -0.0054(8) -0.0015(7) 0.0020(8) C2 0.0111(9) 0.0142(10) 0.0157(10) -0.0018(8) -0.0038(7) 0.0037(8) C3 0.0132(9) 0.0123(10) 0.0146(10) -0.0004(8) -0.0024(8) 0.0013(8) C4 0.0107(9) 0.0109(9) 0.0118(9) 0.0002(7) 0.0001(7) -0.0007(7) C5 0.0101(9) 0.0097(9) 0.0110(9) -0.0011(7) 0.0000(7) -0.0014(7) C6 0.0093(9) 0.0106(9) 0.0129(9) -0.0003(7) 0.0006(7) -0.0015(7) C7 0.0099(9) 0.0124(10) 0.0142(9) -0.0007(8) -0.0012(7) -0.0002(7) C8 0.0123(9) 0.0140(10) 0.0142(10) 0.0003(8) -0.0040(8) 0.0024(8) C9 0.0149(10) 0.0118(10) 0.0114(9) -0.0014(7) -0.0018(7) -0.0009(8) C10 0.0086(9) 0.0133(10) 0.0115(9) 0.0019(7) 0.0007(7) 0.0006(7) C11 0.0180(10) 0.0140(10) 0.0151(10) 0.0004(8) 0.0031(8) -0.0010(8) C12 0.0182(11) 0.0154(11) 0.0225(11) 0.0039(9) 0.0037(9) -0.0038(8) C13 0.0153(10) 0.0258(12) 0.0177(10) 0.0072(9) 0.0053(8) 0.0005(9) C14 0.0192(11) 0.0270(13) 0.0148(10) -0.0032(9) 0.0041(8) 0.0025(9) C15 0.0162(10) 0.0155(11) 0.0171(10) -0.0026(8) 0.0022(8) -0.0019(8) C16 0.0107(10) 0.0268(13) 0.0222(11) -0.0027(9) 0.0027(8) 0.0004(9) C17 0.0186(11) 0.0229(12) 0.0238(12) 0.0106(9) -0.0036(9) 0.0034(9) C18 0.0081(9) 0.0222(12) 0.0253(12) 0.0047(9) 0.0014(8) 0.0024(8) C19 0.0206(11) 0.0195(11) 0.0154(10) 0.0050(8) -0.0012(8) -0.0028(9) B1 0.0093(10) 0.0121(11) 0.0107(10) -0.0020(8) 0.0004(8) -0.0022(8) 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' B B 0.0013 0.0007 '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' N N 0.0061 0.0033 '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 C1 N1 C4 108.46(18) C1 N1 B1 126.31(18) C4 N1 B1 125.02(17) C6 N2 B1 124.32(17) C9 N2 C6 108.75(17) C9 N2 B1 126.44(18) N1 C1 C2 108.49(18) N1 C1 C16 123.5(2) C2 C1 C16 128.0(2) C1 C2 I1 124.97(16) C3 C2 I1 125.66(16) C3 C2 C1 109.33(18) C2 C3 C4 105.09(19) C2 C3 C17 125.9(2) C4 C3 C17 129.0(2) N1 C4 C3 108.62(18) C5 C4 N1 120.17(18) C5 C4 C3 131.16(19) C4 C5 C6 121.67(19) C4 C5 C10 119.19(18) C6 C5 C10 119.11(18) N2 C6 C7 108.08(18) C5 C6 N2 120.40(18) C5 C6 C7 131.51(19) C6 C7 C18 128.56(19) C8 C7 C6 105.37(18) C8 C7 C18 126.04(19) C7 C8 I2 126.52(16) C7 C8 C9 109.44(18) C9 C8 I2 124.01(16) N2 C9 C8 108.35(18) N2 C9 C19 123.39(19) C8 C9 C19 128.3(2) C11 C10 C5 121.40(19) C11 C10 C15 119.83(19) C15 C10 C5 118.77(19) C10 C11 C12 119.9(2) C13 C12 C11 120.1(2) C12 C13 C14 120.1(2) C13 C14 C15 119.9(2) C14 C15 C10 120.1(2) F1 B1 F2 109.04(17) F1 B1 N1 110.99(18) F1 B1 N2 111.00(17) F2 B1 N1 109.55(17) F2 B1 N2 109.23(17) N1 B1 N2 107.00(16) loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance I1 C2 2.063(2) I2 C8 2.071(2) F1 B1 1.381(3) F2 B1 1.399(3) N1 C1 1.343(3) N1 C4 1.400(3) N1 B1 1.544(3) N2 C6 1.403(3) N2 C9 1.341(3) N2 B1 1.554(3) C1 C2 1.409(3) C1 C16 1.486(3) C2 C3 1.388(3) C3 C4 1.426(3) C3 C17 1.491(3) C4 C5 1.393(3) C5 C6 1.395(3) C5 C10 1.489(3) C6 C7 1.426(3) C7 C8 1.385(3) C7 C18 1.500(3) C8 C9 1.406(3) C9 C19 1.492(3) C10 C11 1.385(3) C10 C15 1.396(3) C11 C12 1.393(3) C12 C13 1.384(3) C13 C14 1.386(4) C14 C15 1.387(3) loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_meas _refln_F_squared_sigma 2 0 0 58.37 1.51 2 0 0 50.58 1.54 2 0 0 55.72 1.5 2 0 0 56.15 1.56 -2 0 0 56.18 1.55 -2 0 0 55.65 1.5 -2 0 0 54.53 1.5 3 0 0 -0.02 0.18 -3 0 0 0.17 0.11 3 0 0 0.09 0.11 -3 0 0 0.41 0.19 -3 0 0 0.08 0.18 3 0 0 0.3 0.13 -3 0 0 0.12 0.1 -4 0 0 12.03 0.42 -4 0 0 12.46 0.55 -4 0 0 10.59 0.54 -4 0 0 12.32 0.42 4 0 0 12.01 0.42 4 0 0 11.62 0.56 4 0 0 12.31 0.44 4 0 0 12.06 0.54 -5 0 0 0.02 0.24 5 0 0 0.08 0.13 5 0 0 -0.42 0.22 5 0 0 0.19 0.22 -5 0 0 0.03 0.13 5 0 0 0.06 0.16 -5 0 0 -0.13 0.21 -6 0 0 306.43 7.85 6 0 0 274.85 7.84 6 0 0 286.25 7.72 6 0 0 293.54 7.83 -6 0 0 281.39 7.7 -6 0 0 282.28 7.83 -6 0 0 283.71 7.71 -7 0 0 0.17 0.15 7 0 0 -0.01 0.16 -7 0 0 0.2 0.15 7 0 0 0.04 0.19 7 0 0 -0.07 0.29 7 0 0 0.04 0.3 -7 0 0 0.09 0.3 8 0 0 131.79 3.83 8 0 0 127.76 3.84 -8 0 0 137.33 3.65 8 0 0 131.98 3.66 -8 0 0 133.34 3.63 -8 0 0 130.52 3.84 8 0 0 135.03 3.64 9 0 0 0.09 0.23 -9 0 0 0.11 0.19 9 0 0 0 0.35 -9 0 0 -0.33 0.33 9 0 0 -0.02 0.2 10 0 0 16.98 0.69 10 0 0 17.09 0.65 -10 0 0 15.06 0.99 -10 0 0 16.88 0.63 10 0 0 15.97 0.99 11 0 0 -0.36 0.28 -11 0 0 0.04 0.47 11 0 0 -0.21 0.44 11 0 0 -0.11 0.23 -11 0 0 0.01 0.2 12 0 0 0.15 0.26 12 0 0 0.25 0.31 12 0 0 0.6 0.53 -12 0 0 0.43 0.23 -12 0 0 -0.19 0.52 13 0 0 0.1 0.57 -13 0 0 -0.63 0.58 13 0 0 -0.08 0.33 14 0 0 96.91 2.84 14 0 0 99.18 3.34 -14 0 0 102.55 3.39 15 0 0 0.06 0.68 -15 0 0 0.85 0.74 2 -1 0 290.73 7.75 2 -1 0 288.02 7.75 -2 -1 0 286.39 7.75 -2 -1 0 297.2 7.77 2 -1 0 286.38 7.74 -2 -1 0 267.2 7.74 2 1 0 312.35 7.73 -2 1 0 284.57 7.74 2 1 0 292.07 7.79 -2 1 0 298.18 7.75 2 1 0 276.09 7.74 2 1 0 287.66 7.75 -3 -1 0 244.53 6.32 3 -1 0 236.34 6.36 3 -1 0 229.47 6.27 3 -1 0 221 6.39 -3 -1 0 242.17 6.36 -3 -1 0 226.86 6.35 3 -1 0 236.35 6.31 3 1 0 232.62 6.35 -3 1 0 233.49 6.27 3 1 0 236.17 6.31 3 1 0 235.64 6.36 -3 1 0 237.59 6.3 3 1 0 241.6 6.32 -3 1 0 237.79 6.35 -3 1 0 236.8 6.35 4 -1 0 209.09 5.71 4 -1 0 213.95 5.79 -4 -1 0 214.91 5.72 4 -1 0 218.75 5.77 4 -1 0 210.14 5.67 -4 -1 0 227.83 5.79 -4 -1 0 205.44 5.78 -4 1 0 215.83 5.7 4 1 0 213.77 5.77 4 1 0 208.56 5.71 -4 1 0 203.39 5.66 -4 1 0 216.11 5.78 4 1 0 206.26 5.78 -4 1 0 205.94 5.77 5 -1 0 155.39 4.16 -5 -1 0 152.56 4.3 -5 -1 0 162.48 4.31 5 -1 0 150.3 4.3 5 -1 0 161.15 4.29 5 -1 0 152.22 4.2 -5 -1 0 158.83 4.22 5 1 0 154.65 4.29 -5 1 0 154.57 4.29 -5 1 0 141.5 4.23 5 1 0 156.27 4.21 5 1 0 151.95 4.3 -5 1 0 151.57 4.15 -5 1 0 163.51 4.31 5 1 0 154.24 4.21 6 -1 0 247.26 6.86 -6 -1 0 249.84 6.98 -6 -1 0 252 6.87 6 -1 0 265.11 6.97 -6 -1 0 267.72 6.99 6 -1 0 251.23 6.99 6 -1 0 251.95 6.81 6 1 0 255.62 6.87 -6 1 0 258.6 6.85 -6 1 0 247.58 6.81 6 1 0 252.23 6.87 6 1 0 249.55 6.98 6 1 0 257.46 6.98 -6 1 0 263.47 6.98 -6 1 0 248.26 6.97 -7 -1 0 81.51 2.43 -7 -1 0 78.47 2.43 7 -1 0 81.99 2.21 7 -1 0 82.86 2.42 7 -1 0 78.03 2.44 7 -1 0 81.26 2.27 -7 -1 0 79.99 2.28 -7 1 0 80.49 2.21 7 1 0 76.72 2.42 -7 1 0 81.34 2.25 7 1 0 80.8 2.42 7 1 0 80.93 2.28 7 1 0 81 2.28 -7 1 0 82.95 2.43 -7 1 0 78.86 2.42 8 -1 0 156.16 4.51 -8 -1 0 157.04 4.51 8 -1 0 154.62 4.48 8 -1 0 159.44 4.25 8 -1 0 157.99 4.32 -8 -1 0 156.23 4.33 -8 1 0 159.91 4.3 -8 1 0 155.07 4.49 8 1 0 154.08 4.5 -8 1 0 155.42 4.25 8 1 0 157.69 4.33 8 1 0 164.76 4.33 9 -1 0 112.84 3.27 9 -1 0 116.26 3.54 -9 -1 0 121.73 3.56 -9 -1 0 117.09 3.32 9 -1 0 118.16 3.32 9 1 0 119.64 3.33 9 1 0 121.06 3.33 -9 1 0 119.4 3.53 -9 1 0 124.82 3.3 9 1 0 118.71 3.54 -9 1 0 120.05 3.24 -10 -1 0 43.18 1.66 10 -1 0 41.77 1.63 -10 -1 0 42.84 1.35 10 -1 0 41.63 1.35 10 1 0 44.56 1.37 -10 1 0 44.32 1.32 -10 1 0 42.87 1.62 10 1 0 44.72 1.64 10 1 0 43.48 1.37 -11 -1 0 24.75 0.89 11 -1 0 25.22 1.24 -11 -1 0 24.4 1.28 11 -1 0 23.13 0.89 11 1 0 23.77 1.23 11 1 0 25.37 0.93 -11 1 0 25.64 1.26 11 1 0 23.52 0.92 12 -1 0 37.15 1.61 -12 -1 0 36.48 1.65 12 -1 0 35.9 1.21 -12 -1 0 35.87 1.2 12 1 0 38.98 1.28 12 1 0 36.81 1.61 12 1 0 36.25 1.25 -12 1 0 35.99 1.61 12 1 0 35.6 1.36 13 -1 0 0.12 0.31 13 -1 0 0.66 0.56 -13 -1 0 0.41 0.3 -13 -1 0 0.73 0.59 13 1 0 -0.02 0.36 -13 1 0 0.24 0.58 13 1 0 -0.08 0.57 14 -1 0 4.94 0.83 -14 -1 0 6.07 0.85 14 -1 0 4.97 0.44 14 1 0 5.83 0.64 14 1 0 4.68 0.76 -14 1 0 4.6 0.8 -15 -1 0 2.16 1.22 15 -1 0 -0.54 0.67 15 1 0 0.05 0.7 -15 1 0 1.29 0.72 0 -2 0 0.59 0.14 0 -2 0 0.65 0.12 0 -2 0 0.46 0.11 0 2 0 0.05 0.06 0 2 0 0 0.06 0 2 0 0.02 0.07 1 -2 0 154.93 4.22 -1 -2 0 149.31 4.21 1 -2 0 160.97 4.21 -1 -2 0 163.68 4.21 -1 -2 0 151.96 4.21 1 -2 0 156.79 4.18 1 2 0 153.56 4.21 -2 -2 0 289.66 7.8 -2 -2 0 294.19 7.8 -2 -2 0 273.9 7.78 2 -2 0 291.02 7.78 2 -2 0 293.76 7.75 2 -2 0 304.87 7.77 2 -2 0 291.21 7.8 -2 2 0 278.87 7.78 -2 2 0 275.18 7.77 2 2 0 282.73 7.8 2 2 0 317.09 7.8 2 2 0 291.37 7.78 -2 2 0 288.97 7.74 3 -2 0 585.23 15.6 -3 -2 0 569.15 15.69 3 -2 0 579.15 15.77 -3 -2 0 567.65 15.56 3 2 0 564.91 15.61 -3 2 0 560.02 15.58 3 2 0 604.82 15.57 3 2 0 583.04 15.63 3 2 0 609.02 15.57 -3 2 0 569.18 15.51 -3 2 0 594.2 15.5 -3 2 0 596.15 15.56 -3 2 0 580.19 15.54 4 -2 0 120.64 3.26 -4 -2 0 112.8 3.27 4 -2 0 112.53 3.27 -4 -2 0 115.7 3.23 4 -2 0 116.93 3.21 -4 -2 0 119.64 3.27 -4 2 0 116.01 3.26 4 2 0 114.22 3.27 -4 2 0 115.62 3.2 4 2 0 119.49 3.22 4 2 0 115.31 3.21 -4 2 0 121.21 3.27 4 2 0 120.85 3.27 5 -2 0 4.36 0.44 -5 -2 0 4.7 0.36 5 -2 0 3.89 0.34 5 -2 0 4.69 0.48 -5 -2 0 4.22 0.47 -5 -2 0 5.15 0.47 5 2 0 4.28 0.43 -5 2 0 5.04 0.46 -5 2 0 4.8 0.3 -5 2 0 4.12 0.47 5 2 0 4.19 0.34 5 2 0 4.2 0.34 5 2 0 4.15 0.48 6 -2 0 137.38 3.81 -6 -2 0 135.55 3.84 -6 -2 0 147.1 3.94 6 -2 0 143.57 3.91 -6 -2 0 134.55 3.93 6 -2 0 137.2 3.94 6 2 0 143.1 3.93 -6 2 0 139.38 3.92 6 2 0 135 3.81 -6 2 0 136.55 3.91 6 2 0 134.51 3.93 -6 2 0 140.68 3.79 6 2 0 140.06 3.83 -7 -2 0 4.78 0.46 -7 -2 0 3.4 0.4 -7 -2 0 3.8 0.38 7 -2 0 4.49 0.37 7 -2 0 4.08 0.42 7 -2 0 3.99 0.45 7 2 0 3.63 0.43 7 2 0 4.63 0.56 -7 2 0 4.86 0.45 7 2 0 4.15 0.39 -7 2 0 4.18 0.32 7 2 0 3.76 0.37 -7 2 0 3.87 0.4 -8 -2 0 68.47 2.26 8 -2 0 73.68 2.26 8 -2 0 70.36 2.07 -8 -2 0 72.1 2.11 8 -2 0 72.9 2.28 -8 2 0 73.44 2.04 -8 2 0 71.51 2.25 8 2 0 70.67 2.26 8 2 0 73.5 2.1 8 2 0 73.88 2.11 9 -2 0 -0.05 0.36 -9 -2 0 0.01 0.23 -9 -2 0 -0.32 0.34 9 -2 0 -0.16 0.24 -9 2 0 0.71 0.38 -9 2 0 -0.34 0.19 9 2 0 0.38 0.39 9 2 0 0.25 0.25 9 2 0 -0.03 0.27 -10 -2 0 0.67 0.3 -10 -2 0 0.32 0.45 10 -2 0 0.35 0.25 10 -2 0 0.65 0.44 10 2 0 0.71 0.3 10 2 0 0.85 0.32 -10 2 0 0.71 0.25 10 2 0 0.58 0.43 -10 2 0 0.54 0.42 -11 -2 0 73.25 2.21 11 -2 0 75.65 2.5 11 -2 0 72.52 2.15 -11 -2 0 73.31 2.51 11 2 0 75 2.21 -11 2 0 73.99 2.16 11 2 0 75.4 2.22 -11 2 0 72.22 2.45 11 2 0 72.68 2.23 11 2 0 73.68 2.48 12 -2 0 44.53 1.4 12 -2 0 43.56 1.81 -12 -2 0 45.63 1.87 -12 -2 0 41.97 1.65 -12 2 0 44.86 1.78 12 2 0 43.85 1.52 12 2 0 45.46 1.81 12 2 0 43.01 1.6 12 2 0 46.68 1.5 -13 -2 0 23.04 1.43 13 -2 0 19.8 0.8 13 -2 0 21.42 1.31 -13 2 0 19.67 1.29 13 2 0 19.82 1.3 13 2 0 18.8 1.25 14 -2 0 2.32 0.72 -14 -2 0 1.72 0.73 14 2 0 3.69 0.75 14 2 0 2.4 0.58 -14 2 0 2.92 0.72 -15 -2 0 2.42 0.84 15 -2 0 1.88 0.76 15 2 0 2.27 0.93 -15 2 0 2.41 0.76 0 -3 0 0.1 0.16 0 -3 0 -0.02 0.13 0 -3 0 0.11 0.16 0 3 0 0.63 0.15 0 3 0 0.04 0.14 0 3 0 0.18 0.12 1 -3 0 104.42 2.76 -1 -3 0 102.39 2.8 1 -3 0 103.65 2.78 -1 -3 0 100.77 2.79 1 -3 0 101.93 2.81 1 -3 0 104.17 2.81 -1 -3 0 98.35 2.81 1 3 0 100.89 2.8 -1 3 0 93.3 2.84 -1 3 0 100.27 2.77 1 3 0 103.43 2.8 -1 3 0 101.9 2.8 1 3 0 102.67 2.8 -1 3 0 102.39 2.76 2 -3 0 3.07 0.35 -2 -3 0 3.91 0.32 -2 -3 0 3.49 0.34 2 -3 0 3.21 0.24 -2 -3 0 3.34 0.33 2 -3 0 3.61 0.33 2 3 0 3.72 0.31 -2 3 0 3.63 0.26 -2 3 0 3.27 0.22 2 3 0 3.37 0.34 -2 3 0 3.46 0.24 2 3 0 3.62 0.33 -2 3 0 3.77 0.32 -2 3 0 3.08 0.29 -3 -3 0 11.37 0.54 -3 -3 0 11.2 0.5 -3 -3 0 11.77 0.51 3 -3 0 10.64 0.53 3 -3 0 11.14 0.48 -3 3 0 11.54 0.38 3 3 0 11.28 0.54 3 3 0 11.99 0.53 3 3 0 11.58 0.48 -3 3 0 11.62 0.51 3 3 0 11.48 0.5 -3 3 0 11.26 0.49 -3 3 0 11.53 0.49 -4 -3 0 270.2 7.68 -4 -3 0 271.04 7.65 -4 -3 0 296.76 7.69 4 -3 0 290.63 7.65 4 -3 0 285.3 7.63 4 -3 0 276.94 7.69 4 3 0 283.88 7.64 -4 3 0 281.21 7.54 4 3 0 286.24 7.65 4 3 0 273.09 7.68 4 3 0 298.51 7.69 -4 3 0 294.06 7.68 -4 3 0 275.26 7.65 -4 3 0 270.67 7.54 4 3 0 281.97 7.63 -4 3 0 290.32 7.63 5 -3 0 148.83 4.02 -5 -3 0 149.89 4.06 5 -3 0 144.59 4.07 5 -3 0 144.2 3.97 -5 -3 0 138.47 4 -5 -3 0 137.07 4.05 5 3 0 139.86 3.98 -5 3 0 151.53 3.97 5 3 0 147.97 3.99 -5 3 0 140.98 4.02 5 3 0 146.1 4.05 -5 3 0 147.76 4.05 5 3 0 147.97 4 5 3 0 140.06 4.06 6 -3 0 63.99 1.82 6 -3 0 67.03 1.92 -6 -3 0 62.19 1.86 -6 -3 0 53.4 2.02 6 -3 0 62.63 1.95 -6 -3 0 64.55 1.94 -6 3 0 64.19 1.79 6 3 0 62.83 1.94 -6 3 0 63.29 1.92 6 3 0 61.66 1.83 6 3 0 63.77 1.9 -6 3 0 61.74 1.91 7 -3 0 64.37 1.87 -7 -3 0 63.3 2.04 7 -3 0 61.83 2.03 7 -3 0 64.98 2 -7 -3 0 62.16 1.92 -7 -3 0 63.34 2.02 7 3 0 61.69 2.02 7 3 0 66.13 1.92 -7 3 0 65.7 2.02 7 3 0 63.99 1.89 7 3 0 67.29 2.1 -7 3 0 67.48 1.85 -7 3 0 63.53 1.99 -8 -3 0 22.96 1.06 8 -3 0 23.95 1.05 -8 -3 0 22.99 0.91 8 -3 0 22.85 1.1 8 -3 0 24.26 0.85 -8 3 0 23.79 1.03 8 3 0 23.84 0.87 8 3 0 24.67 0.92 8 3 0 24.28 0.88 8 3 0 23.87 1.05 -8 3 0 25.12 0.81 -9 -3 0 12.12 0.7 9 -3 0 14.04 0.61 9 -3 0 12.33 0.87 -9 -3 0 12.54 0.87 9 3 0 12.86 0.72 9 3 0 13.38 0.67 -9 3 0 13.27 0.57 9 3 0 14.54 0.68 -9 3 0 13.25 0.82 9 3 0 12.21 0.85 10 -3 0 75.38 2.5 -10 -3 0 75.03 2.3 -10 -3 0 71.45 2.5 10 -3 0 76.7 2.21 10 3 0 76.46 2.5 -10 3 0 78.23 2.18 10 3 0 74.63 2.48 -10 3 0 74.59 2.43 10 3 0 79.27 2.32 10 3 0 77.24 2.27 11 -3 0 37.38 1.23 -11 -3 0 38 1.35 11 -3 0 39.71 1.63 -11 -3 0 39.99 1.66 11 3 0 37.68 1.4 -11 3 0 38.23 1.21 11 3 0 37.14 1.6 -11 3 0 36.29 1.53 11 3 0 38.12 1.36 11 3 0 38.02 1.35 12 -3 0 0.21 0.27 -12 -3 0 0.14 0.33 -12 -3 0 0.33 0.54 12 -3 0 0.5 0.51 12 3 0 -0.74 0.49 12 3 0 0.61 0.36 -12 3 0 -0.1 0.48 12 3 0 0.32 0.5 12 3 0 0.04 0.43 -12 3 0 0.07 0.45 13 -3 0 7.37 0.52 -13 -3 0 7.31 0.85 -13 -3 0 6.12 0.67 13 -3 0 8.37 0.85 -13 3 0 8.7 1.04 13 3 0 6.64 0.67 13 3 0 4.97 0.73 -14 -3 0 0.21 0.38 -14 -3 0 -0.07 0.7 14 -3 0 0.82 0.68 14 3 0 0.05 0.64 14 3 0 0.27 0.41 -14 3 0 0.85 0.66 -15 -3 0 2.56 1.16 15 -3 0 3.57 0.87 -15 3 0 4.25 0.85 0 -4 0 56.77 1.64 0 -4 0 56.25 1.67 0 -4 0 56.98 1.69 0 4 0 59.24 1.67 0 4 0 58.92 1.68 0 4 0 59.6 1.69 0 4 0 57.37 1.68 -1 -4 0 233.44 6.49 -1 -4 0 239.91 6.53 1 -4 0 243.38 6.46 1 -4 0 234.39 6.52 1 -4 0 239.75 6.49 1 -4 0 236.64 6.52 -1 -4 0 236.55 6.51 -1 4 0 247.02 6.52 1 4 0 236.97 6.51 1 4 0 242.39 6.49 -1 4 0 237.3 6.48 1 4 0 243.01 6.52 -1 4 0 245.66 6.52 1 4 0 245.02 6.51 -1 4 0 243.92 6.46 2 -4 0 135.82 3.81 2 -4 0 135.44 3.74 2 -4 0 142.09 3.8 -2 -4 0 134.98 3.8 -2 -4 0 139.7 3.79 -2 -4 0 133.38 3.79 -2 4 0 141.95 3.8 -2 4 0 140.48 3.8 -2 4 0 135.81 3.74 2 4 0 142.86 3.79 2 4 0 142.68 3.8 -2 4 0 123.34 3.75 3 -4 0 27.81 0.92 3 -4 0 27.65 0.83 -3 -4 0 26.79 0.94 3 -4 0 26.99 0.96 -3 -4 0 26.71 0.94 -3 4 0 27.93 0.93 -3 4 0 26.49 0.92 -3 4 0 27.82 0.83 3 4 0 28.9 0.94 3 4 0 28.11 0.92 3 4 0 28.87 0.93 -3 4 0 27.72 0.88 -4 -4 0 53.02 1.68 -4 -4 0 53.17 1.66 4 -4 0 53.37 1.69 -4 -4 0 55.23 1.67 4 -4 0 56.03 1.63 4 4 0 55.68 1.64 -4 4 0 55.99 1.53 4 4 0 53.5 1.69 -4 4 0 57.92 1.64 4 4 0 56.36 1.65 -4 4 0 54.45 1.72 4 4 0 55.93 1.69 -4 4 0 54.72 1.64 5 -4 0 143.36 3.97 5 -4 0 155.79 4 -5 -4 0 139.96 4.06 5 -4 0 145.81 4.07 -5 -4 0 136.93 4.01 -5 -4 0 149.33 4.06 -5 4 0 141.41 3.86 5 4 0 147.14 4.01 5 4 0 149.56 4.06 -5 4 0 136.34 3.86 5 4 0 145.86 3.99 -5 4 0 143.75 4.04 -5 4 0 137.64 4 5 4 0 141.63 3.98 -5 4 0 148.89 3.98 5 4 0 137.01 4.05 6 -4 0 1.57 0.29 -6 -4 0 1.62 0.36 6 -4 0 1.8 0.26 6 -4 0 0.81 0.37 -6 -4 0 1.25 0.28 -6 -4 0 2.24 0.36 -6 4 0 2.1 0.32 -6 4 0 1.4 0.3 -6 4 0 1.86 0.25 6 4 0 1.7 0.36 6 4 0 1.69 0.29 6 4 0 1.64 0.26 6 4 0 1.8 0.27 6 4 0 1.5 0.32 7 -4 0 3.97 0.42 -7 -4 0 3.81 0.4 7 -4 0 3.45 0.39 -7 -4 0 4.33 0.48 7 -4 0 3.67 0.45 7 4 0 3.78 0.45 -7 4 0 3.98 0.38 7 4 0 4.36 0.45 7 4 0 3.45 0.36 7 4 0 4.54 0.46 -7 4 0 3.39 0.41 -7 4 0 3.99 0.44 -8 -4 0 2.78 0.36 8 -4 0 2.85 0.44 8 -4 0 2.88 0.32 -8 -4 0 3.53 0.51 8 -4 0 2.56 0.43 8 4 0 2.29 0.42 8 4 0 2.79 0.36 -8 4 0 3.3 0.44 -8 4 0 3.57 0.38 8 4 0 3.4 0.37 8 4 0 3.15 0.39 -9 -4 0 68.1 2.33 9 -4 0 70.49 2.08 -9 -4 0 70.4 2.18 9 -4 0 70.07 2.32 9 4 0 72.93 2.19 -9 4 0 69.17 2.24 -9 4 0 72.49 2.05 9 4 0 72.61 2.15 9 4 0 69.75 2.31 -10 -4 0 18.19 0.89 -10 -4 0 18.54 1.13 10 -4 0 19.28 0.76 10 -4 0 16.12 1.06 10 4 0 19.06 1.1 -10 4 0 17.03 0.99 10 4 0 18.57 0.85 -10 4 0 19.17 0.74 10 4 0 19.06 0.91 -11 -4 0 2.82 0.44 11 -4 0 3.11 0.36 11 -4 0 3.17 0.59 -11 -4 0 2.78 0.66 -11 4 0 2.7 0.34 11 4 0 3.49 0.42 11 4 0 2.39 0.49 -11 4 0 3.47 0.54 11 4 0 1.89 0.55 -12 -4 0 15.47 0.91 -12 -4 0 17.24 1.27 12 -4 0 16.97 1.19 12 -4 0 17.25 0.74 12 4 0 18.18 0.88 -12 4 0 16.75 1.11 12 4 0 18.26 1.21 -13 -4 0 9.92 1.03 13 -4 0 9.85 1.15 -13 -4 0 9.56 0.79 13 -4 0 10.05 0.57 -13 4 0 8.85 1.05 13 4 0 9.64 0.73 13 4 0 8.89 0.89 -14 -4 0 3.46 0.86 14 -4 0 4.76 0.83 -14 -4 0 3.01 0.52 14 4 0 4.17 0.52 14 4 0 2.97 0.74 -14 4 0 3.99 0.76 0 -5 0 0.15 0.17 0 -5 0 0.25 0.23 0 -5 0 -0.01 0.18 0 5 0 0.04 0.17 0 5 0 -0.09 0.19 0 5 0 -0.18 0.21 0 5 0 -0.04 0.14 1 -5 0 217.25 6.14 1 -5 0 226.73 6.11 1 -5 0 222.3 6.15 -1 -5 0 220.39 6.14 -1 -5 0 221.3 6.16 1 -5 0 225.05 6.08 -1 -5 0 219.76 6.11 -1 5 0 226.87 6.11 -1 5 0 226.47 6.14 1 5 0 231.89 6.11 -1 5 0 228.29 6.08 1 5 0 224.06 6.14 1 5 0 220.47 6.13 -1 5 0 234.24 6.15 1 5 0 231.66 6.14 -2 -5 0 0.07 0.23 2 -5 0 0.23 0.24 -2 -5 0 0.1 0.22 2 -5 0 0.15 0.17 -2 -5 0 0.1 0.19 2 -5 0 0.37 0.23 2 5 0 0.14 0.18 -2 5 0 0.37 0.21 -2 5 0 0.09 0.21 -2 5 0 0.19 0.15 2 5 0 0.05 0.2 2 5 0 0.14 0.22 2 5 0 0.16 0.2 -2 5 0 0.21 0.14 -3 -5 0 71.4 2.14 3 -5 0 73.71 2.13 3 -5 0 73.22 2.05 3 -5 0 71.89 2.16 -3 -5 0 71.32 2.14 -3 5 0 73.29 2.05 3 5 0 73.18 2.13 -3 5 0 72.38 2.13 -3 5 0 73.63 2.06 3 5 0 73.98 2.13 3 5 0 69.98 2.14 3 5 0 73.53 2.13 -3 5 0 75.74 2.15 -3 5 0 72.82 2.05 -4 -5 0 22.76 0.88 -4 -5 0 21.25 0.87 4 -5 0 23.01 0.83 4 -5 0 23.07 0.9 -4 -5 0 21.84 0.87 4 5 0 22.25 0.9 -4 5 0 23.67 0.81 4 5 0 23.29 0.86 -4 5 0 23.17 0.85 -4 5 0 22.97 0.72 -4 5 0 21.6 0.86 -4 5 0 23.19 0.77 4 5 0 22.62 0.84 4 5 0 22.54 0.88 -5 -5 0 3.37 0.4 5 -5 0 2.4 0.29 -5 -5 0 2.48 0.35 5 -5 0 3.02 0.41 -5 -5 0 2.43 0.33 5 5 0 2.36 0.34 -5 5 0 2.09 0.32 5 5 0 3.13 0.34 -5 5 0 3.34 0.34 5 5 0 3.1 0.33 -5 5 0 3.01 0.23 5 5 0 3.21 0.39 -5 5 0 2.24 0.3 -6 -5 0 11.5 0.69 6 -5 0 13.68 0.61 -6 -5 0 12.75 0.73 6 -5 0 13.33 0.77 -6 -5 0 14.48 0.75 6 5 0 14.09 0.7 6 5 0 12.73 0.75 -6 5 0 13.4 0.44 -6 5 0 12.97 0.66 6 5 0 13.7 0.65 6 5 0 13.1 0.66 -6 5 0 13.52 0.63 -6 5 0 14.07 0.75 6 5 0 13.88 0.85 7 -5 0 334.83 9.4 7 -5 0 339.39 9.22 -7 -5 0 329.04 9.29 -7 -5 0 326.32 9.35 7 5 0 353.65 9.29 7 5 0 351.58 9.27 -7 5 0 359.15 9.22 -7 5 0 335.8 9.28 7 5 0 331.68 9.35 8 -5 0 2.67 0.32 -8 -5 0 1.56 0.33 -8 -5 0 2.15 0.46 8 -5 0 1.59 0.44 8 -5 0 2.67 0.42 8 5 0 1.99 0.36 -8 5 0 2.34 0.41 -8 5 0 2.26 0.34 8 5 0 2.05 0.46 8 5 0 2.53 0.4 8 5 0 3.41 0.5 9 -5 0 40.58 1.3 -9 -5 0 38.45 1.41 -9 -5 0 40.31 1.59 9 -5 0 37.83 1.55 9 5 0 37.7 1.55 -9 5 0 41.5 1.29 9 5 0 42.24 1.37 -9 5 0 37.15 1.43 9 5 0 41.04 1.4 10 -5 0 0.16 0.28 -10 -5 0 0.33 0.35 -10 -5 0 0.28 0.45 10 -5 0 0.03 0.48 10 5 0 0.17 0.3 10 5 0 0.51 0.46 -10 5 0 0.22 0.29 11 -5 0 5.56 0.7 -11 -5 0 4.72 0.68 11 -5 0 5.11 0.52 -11 -5 0 5.54 0.54 11 5 0 5.66 0.62 -11 5 0 5.42 0.55 -11 5 0 6.26 0.64 11 5 0 5.2 0.67 12 -5 0 3.11 0.68 12 -5 0 3.25 0.38 -12 -5 0 2.22 0.49 -12 -5 0 1.71 0.63 -12 5 0 3.52 0.58 12 5 0 2.37 0.44 12 5 0 1.79 0.63 13 -5 0 71.35 2.57 13 -5 0 67.27 2.03 -13 -5 0 67.71 2.27 -13 -5 0 69.51 2.63 13 5 0 67.18 2.17 -13 5 0 67.79 2.42 13 5 0 70.88 2.57 -14 -5 0 6.07 0.67 14 -5 0 6.31 0.89 -14 -5 0 6.54 0.98 -14 5 0 7.58 0.84 14 5 0 6.81 0.63 14 5 0 7.59 0.96 0 -6 0 180.69 5.06 0 -6 0 180.26 5.02 0 -6 0 184.89 5.1 0 6 0 186.77 5.09 0 6 0 182.22 5.08 0 6 0 187.03 5.13 0 6 0 185.06 5.01 -1 -6 0 40.52 1.31 1 -6 0 42.02 1.32 1 -6 0 42.95 1.28 1 -6 0 42.67 1.38 -1 -6 0 40.42 1.38 -1 -6 0 41.23 1.35 -1 6 0 43.5 1.37 1 6 0 43.8 1.35 1 6 0 42.02 1.36 1 6 0 45.12 1.31 -1 6 0 44.26 1.37 -1 6 0 42.89 1.31 -1 6 0 43.16 1.27 1 6 0 41.88 1.35 -2 -6 0 228.81 6.5 2 -6 0 236.42 6.54 2 -6 0 244.05 6.48 2 -6 0 237.2 6.55 2 -6 0 235.72 6.45 -2 -6 0 234.89 6.55 -2 -6 0 231.34 6.53 2 6 0 252.2 6.51 2 6 0 241.05 6.53 2 6 0 232.65 6.53 -2 6 0 241.01 6.47 2 6 0 240.05 6.54 -2 6 0 234.2 6.44 -2 6 0 242.31 6.54 -2 6 0 242.96 6.54 -3 -6 0 63.75 1.91 -3 -6 0 60.36 1.92 3 -6 0 61.06 1.93 3 -6 0 61.94 1.9 3 -6 0 62.25 1.82 -3 6 0 62.62 1.9 3 6 0 63.5 1.91 -3 6 0 64.12 1.91 3 6 0 62.58 1.91 -3 6 0 62.87 1.81 3 6 0 65.52 1.9 3 6 0 63.09 1.92 -3 6 0 63.65 1.8 -4 -6 0 103.25 3.61 4 -6 0 115.85 3.67 4 -6 0 124.01 3.5 4 -6 0 122.92 3.41 -4 -6 0 127.5 3.53 4 6 0 132.33 3.54 -4 6 0 126.39 3.43 -4 6 0 123.86 3.44 -4 6 0 127.18 3.52 4 6 0 118.26 3.53 4 6 0 126.91 3.52 -4 6 0 124.71 3.4 4 6 0 127.52 3.53 -4 6 0 128.42 3.54 5 -6 0 47.28 1.5 -5 -6 0 46.58 1.57 -5 -6 0 44.78 1.55 5 -6 0 45.55 1.59 -5 -6 0 45.38 1.56 5 6 0 48.33 1.53 5 6 0 48.87 1.58 -5 6 0 48.43 1.38 -5 6 0 48.4 1.56 5 6 0 46.05 1.57 -5 6 0 46.63 1.48 -5 6 0 48.74 1.52 -5 6 0 47.27 1.43 5 6 0 49.07 1.56 -6 -6 0 0.83 0.31 6 -6 0 0.6 0.27 -6 -6 0 0.66 0.34 6 -6 0 0.48 0.32 6 6 0 0.35 0.3 -6 6 0 0.83 0.31 -6 6 0 0.44 0.57 6 6 0 0.89 0.31 6 6 0 0.7 0.32 6 6 0 0.39 0.32 -6 6 0 0.44 0.28 -6 6 0 0.7 0.15 7 -6 0 20.39 0.83 -7 -6 0 19.76 0.91 -7 -6 0 19.95 0.98 7 -6 0 19.35 0.99 -7 6 0 21.42 0.85 7 6 0 20.3 1 -7 6 0 19.56 0.88 7 6 0 19.58 0.86 7 6 0 19.69 0.9 -8 -6 0 1.04 0.35 -8 -6 0 0.83 0.41 8 -6 0 1.04 0.44 8 -6 0 0.84 0.31 8 6 0 0.99 0.41 8 6 0 0.61 0.32 -8 6 0 1.2 0.33 -8 6 0 1.39 0.39 9 -6 0 71.76 2.34 -9 -6 0 67.09 2.31 -9 -6 0 67.07 2.2 9 -6 0 68.61 2.06 9 6 0 68.05 2.12 9 6 0 68.08 2.31 -9 6 0 64.64 2.16 -9 6 0 69.79 2.05 -10 -6 0 1.76 0.54 10 -6 0 0.73 0.34 -10 -6 0 0.79 0.4 10 -6 0 1.27 0.51 10 6 0 1.01 0.38 10 6 0 1.41 0.52 -10 6 0 0.64 0.36 -10 6 0 1 0.42 11 -6 0 12 1.08 11 -6 0 10.78 0.7 -11 -6 0 12.41 0.88 -11 -6 0 10.23 1.08 11 6 0 11.98 0.77 -11 6 0 11.1 0.91 11 6 0 10.46 1.05 -11 6 0 11.84 0.9 -12 -6 0 46.56 1.74 -12 -6 0 46.18 2.01 12 -6 0 45.62 1.51 12 -6 0 47.15 1.95 12 6 0 44.67 1.93 -12 6 0 45.55 1.77 12 6 0 44.94 1.62 -13 -6 0 1.35 0.52 13 -6 0 1.93 0.68 -13 -6 0 0.49 0.68 13 -6 0 1.35 0.38 13 6 0 1.29 0.65 -13 6 0 0.6 0.57 13 6 0 0.14 0.42 14 -6 0 26.17 1.63 -14 -6 0 24.72 1.31 -14 -6 0 24.22 1.82 14 6 0 22.65 1.21 -14 6 0 24.34 1.46 14 6 0 26.31 2.58 0 -7 0 0.23 0.3 0 -7 0 0.04 0.19 0 -7 0 -0.06 0.22 0 7 0 0.31 0.24 0 7 0 0.1 0.25 0 7 0 0.06 0.22 0 7 0 0 0.18 1 -7 0 18.9 0.71 -1 -7 0 19.43 0.96 -1 -7 0 19.4 0.81 1 -7 0 18.86 0.84 -1 -7 0 18.37 0.74 1 -7 0 19.24 0.78 1 7 0 19.04 0.79 -1 7 0 19.63 0.82 -1 7 0 19.59 0.81 1 7 0 19.14 0.8 -1 7 0 19.65 0.76 1 7 0 20.62 0.75 1 7 0 18.59 0.81 1 7 0 20.29 0.83 -1 7 0 20.51 0.7 2 -7 0 0.23 0.21 -2 -7 0 0.33 0.31 -2 -7 0 -0.07 0.29 2 -7 0 0.29 0.28 2 -7 0 0.44 0.33 -2 -7 0 -0.24 0.22 2 -7 0 0.31 0.19 2 7 0 0.56 0.35 -2 7 0 0.3 0.18 -2 7 0 0.26 0.27 -2 7 0 0.31 0.28 2 7 0 0.44 0.27 2 7 0 0.2 0.23 -2 7 0 -0.17 0.2 2 7 0 0.31 0.25 3 -7 0 75.32 2.18 3 -7 0 76.67 2.27 -3 -7 0 72.85 2.27 -3 -7 0 76.88 2.26 3 -7 0 72.46 2.3 -3 7 0 74.06 2.26 3 7 0 74.31 2.26 3 7 0 74.87 2.26 3 7 0 73.93 2.27 -3 7 0 75.34 2.17 3 7 0 77.3 2.24 -3 7 0 76.03 2.14 -3 7 0 75.94 2.27 4 -7 0 39.36 1.4 4 -7 0 38.72 1.22 4 -7 0 41.26 1.35 -4 -7 0 38.65 1.36 -4 -7 0 38.67 1.36 -4 7 0 39.7 1.23 -4 7 0 39.62 1.22 4 7 0 38.77 1.35 -4 7 0 39.48 1.36 4 7 0 37.16 1.36 -4 7 0 39.47 1.22 -4 7 0 40.79 1.36 4 7 0 39.19 1.36 4 7 0 41.31 1.36 -5 -7 0 150.16 4.34 5 -7 0 149.23 4.35 -5 -7 0 145.65 4.31 5 -7 0 153.77 4.27 -5 7 0 150.27 4.21 5 7 0 150.17 4.29 5 7 0 146.87 4.32 -5 7 0 156.7 4.29 -5 7 0 154.64 4.15 -5 7 0 152.84 4.18 -6 -7 0 45.44 1.6 6 -7 0 47.68 1.55 6 -7 0 45.65 1.64 -6 -7 0 46.17 1.63 -6 7 0 47.69 1.38 -6 7 0 48.11 1.47 6 7 0 42.99 1.62 -6 7 0 46.19 1.51 -6 7 0 50.53 1.57 7 -7 0 6.17 0.59 -7 -7 0 4.98 0.49 7 -7 0 5.58 0.57 -7 -7 0 6.03 0.59 -7 7 0 6.05 0.59 -7 7 0 6.21 0.55 -7 7 0 5.2 0.3 7 7 0 5.17 0.54 7 7 0 5.6 0.58 -7 7 0 5.86 0.62 -8 -7 0 14.84 0.88 8 -7 0 14.53 0.96 -8 -7 0 13.96 0.93 -8 7 0 14.93 0.84 8 7 0 15.2 0.81 8 7 0 14.72 0.99 -8 7 0 15.49 0.8 9 -7 0 87.5 2.83 -9 -7 0 84.5 2.81 -9 -7 0 87.85 2.74 9 -7 0 84.21 2.66 -9 7 0 85.56 2.64 -9 7 0 86.59 2.58 9 7 0 87.45 2.83 9 7 0 89.92 2.67 10 -7 0 102.6 3.29 -10 -7 0 100.49 3.29 -10 -7 0 106.27 3.2 10 -7 0 104.01 3 10 7 0 104.74 3.46 -10 7 0 100.05 3.1 10 7 0 102.45 3.08 -10 7 0 100.55 2.99 -11 -7 0 26.34 1.47 11 -7 0 29.36 1.11 -11 -7 0 27.15 1.32 11 -7 0 28.75 1.48 11 7 0 28.84 1.49 11 7 0 30.2 1.21 -11 7 0 27.41 1.27 -12 -7 0 5.84 0.68 -12 -7 0 6.19 0.9 12 -7 0 5.38 0.79 12 -7 0 6.44 0.68 12 7 0 5.9 0.82 12 7 0 5.11 0.61 -12 7 0 5.59 0.68 13 -7 0 13.01 1.31 -13 -7 0 9.69 1.05 -13 -7 0 12.37 1.07 13 7 0 11.05 1.29 -13 7 0 11.74 1.06 13 7 0 10.63 0.92 0 -8 0 163.16 4.69 0 -8 0 160.55 4.64 0 -8 0 164.61 4.58 0 8 0 164.17 4.67 0 8 0 167.4 4.66 0 8 0 169.7 4.63 0 8 0 166.92 4.57 1 -8 0 36.8 1.21 -1 -8 0 37.78 1.31 -1 -8 0 36.65 1.34 1 -8 0 38.58 1.36 1 -8 0 37.92 1.3 -1 -8 0 36.6 1.24 -1 8 0 37.28 1.31 -1 8 0 37.89 1.32 1 8 0 39.35 1.24 1 8 0 36.2 1.32 1 8 0 37.69 1.31 1 8 0 37.57 1.3 1 8 0 37.98 1.3 -1 8 0 38.48 1.19 -1 8 0 39.16 1.27 -2 -8 0 3.81 0.41 2 -8 0 4.18 0.47 -2 -8 0 3.46 0.37 2 -8 0 2.82 0.39 2 -8 0 3.69 0.43 -2 -8 0 3.78 0.42 2 -8 0 3.85 0.4 2 8 0 3.8 0.38 2 8 0 4.6 0.47 -2 8 0 4.26 0.37 -2 8 0 3.69 0.37 -2 8 0 3.85 0.43 2 8 0 4.28 0.51 -2 8 0 4.53 0.46 2 8 0 3.55 0.41 3 -8 0 197.36 5.53 3 -8 0 197.19 5.56 -3 -8 0 191.29 5.53 3 -8 0 200.06 5.45 -3 -8 0 196.62 5.5 3 8 0 191.75 5.52 -3 8 0 201.44 5.44 -3 8 0 194.01 5.52 -3 8 0 191.74 5.52 -3 8 0 205.1 5.4 3 8 0 203.36 5.5 -4 -8 0 5.17 0.57 4 -8 0 3.92 0.46 4 -8 0 5.12 0.57 -4 -8 0 4.04 0.41 4 -8 0 4.79 0.44 -4 8 0 5.06 0.4 -4 8 0 4.19 0.46 4 8 0 4.38 0.47 -4 8 0 5.13 0.41 -4 8 0 5.24 0.44 4 8 0 4.03 0.56 -5 -8 0 -0.15 0.32 5 -8 0 0.13 0.33 -5 -8 0 -0.1 0.29 5 -8 0 0.35 0.22 5 -8 0 -0.21 0.31 5 8 0 0.22 0.34 -5 8 0 0.19 0.21 -5 8 0 0.49 0.26 -5 8 0 0.21 0.36 -5 8 0 0.58 0.23 -6 -8 0 25.36 1.15 6 -8 0 25.84 1.17 -6 -8 0 24.62 1.12 6 -8 0 27.06 1.06 -6 8 0 27.43 1.13 -6 8 0 26.74 0.97 -6 8 0 27.73 0.91 -6 8 0 25.81 1.01 6 8 0 27.33 1.18 7 -8 0 0.97 0.35 -7 -8 0 0.29 0.37 -7 -8 0 1.07 0.44 7 -8 0 0.8 0.45 -7 8 0 0.93 0.19 7 8 0 0.53 0.42 -7 8 0 1.48 0.23 7 8 0 0.84 0.36 -7 8 0 0.32 0.35 -7 8 0 1.72 0.45 -7 8 0 1.38 0.35 8 -8 0 7.2 0.73 -8 -8 0 8.19 0.85 8 -8 0 7.49 0.63 -8 -8 0 7.83 0.79 -8 8 0 7.92 0.7 -8 8 0 6.06 0.66 8 8 0 5.77 0.63 8 8 0 7.64 0.69 -8 8 0 8.4 0.76 9 -8 0 1.21 0.37 -9 -8 0 2.07 0.49 -9 -8 0 1.53 0.52 9 -8 0 1.98 0.57 9 8 0 1.99 0.44 -9 8 0 0.97 0.39 -9 8 0 1.7 0.48 9 8 0 1.08 0.51 10 -8 0 8.8 1.03 10 -8 0 9.33 0.67 -10 -8 0 9.76 0.92 -10 -8 0 8.03 0.81 10 8 0 8.92 0.79 -10 8 0 9.97 0.81 10 8 0 7.13 0.77 11 -8 0 36.52 1.69 11 -8 0 34.02 1.29 -11 -8 0 35.56 1.71 -11 -8 0 35.39 1.56 -11 8 0 32.4 1.54 11 8 0 36.2 1.68 11 8 0 34.94 1.42 12 -8 0 1.41 0.66 -12 -8 0 1.17 0.58 -12 -8 0 2.83 0.72 12 -8 0 0.99 0.4 -12 8 0 0.56 0.51 12 8 0 1.75 0.65 12 8 0 1.85 0.53 -13 -8 0 12.8 1.15 13 -8 0 11.25 0.88 13 -8 0 11.76 1.31 -13 8 0 9.96 1.04 13 8 0 11.52 1.15 13 8 0 9.98 0.99 0 -9 0 0.2 0.26 0 -9 0 -0.17 0.25 0 -9 0 -0.06 0.3 0 9 0 -0.43 0.31 0 9 0 0.52 0.24 -1 -9 0 0.39 0.32 1 -9 0 0.16 0.25 1 -9 0 0.46 0.31 1 -9 0 0.34 0.29 -1 -9 0 0.36 0.29 -1 -9 0 -0.03 0.28 -1 9 0 0.2 0.22 1 9 0 0.45 0.3 1 9 0 0.25 0.27 -1 9 0 0.48 0.3 2 -9 0 105.61 3.17 2 -9 0 108.57 3.1 -2 -9 0 105.56 3.1 2 -9 0 109.75 3.04 -2 -9 0 105.51 3.19 -2 -9 0 101.55 3.15 -2 9 0 106.93 3.09 2 9 0 108.61 3.09 -2 9 0 110.59 3.02 2 9 0 101.49 3.13 3 -9 0 2.36 0.39 -3 -9 0 2.7 0.43 -3 -9 0 2.34 0.38 3 -9 0 1.79 0.4 -3 9 0 2.85 0.35 -3 9 0 2.63 0.29 3 9 0 2.56 0.39 3 9 0 2 0.36 4 -9 0 -0.06 0.26 -4 -9 0 -0.07 0.3 4 -9 0 0.14 0.33 4 -9 0 0.2 0.36 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7.74 0.9 -11 -9 0 9.45 0.97 11 -9 0 7.98 0.72 -11 9 0 9.28 0.84 11 9 0 9.65 0.91 11 9 0 7.14 0.85 12 -9 0 7.24 0.93 -12 -9 0 6.34 0.89 -12 -9 0 5.75 0.78 12 -9 0 6.38 0.72 12 9 0 8.17 0.93 -12 9 0 8.4 0.92 12 9 0 7.05 0.95 -13 -9 0 0.93 0.76 13 -9 0 1.56 0.77 -13 -9 0 1.61 0.69 -13 9 0 1.96 0.6 13 9 0 0.74 0.72 13 9 0 2.56 0.63 0 -10 0 183.92 5.18 0 -10 0 179.15 5.23 0 10 0 184.39 5.08 -1 -10 0 6.98 0.67 -1 -10 0 7.95 0.72 -1 -10 0 7.36 0.62 1 -10 0 6.73 0.72 1 -10 0 8.15 0.59 1 -10 0 8.13 0.65 1 10 0 7.09 0.65 1 10 0 6.35 0.62 -1 10 0 7.57 0.55 -2 -10 0 3.32 0.49 2 -10 0 4.63 0.52 -2 -10 0 3.78 0.44 2 -10 0 4.02 0.44 2 -10 0 3.95 0.4 -2 -10 0 3.03 0.42 -2 10 0 3.91 0.46 2 10 0 4.1 0.45 2 10 0 4.59 0.49 -3 -10 0 14.18 0.81 3 -10 0 14.53 0.77 3 -10 0 16.5 0.9 -3 -10 0 16.08 0.89 3 10 0 14.7 0.86 -3 10 0 15.17 0.69 -3 10 0 14.81 0.8 -4 -10 0 7.31 0.71 -4 -10 0 9.54 0.79 4 -10 0 8.49 0.74 4 -10 0 6.79 0.78 4 -10 0 8.62 0.63 4 10 0 8.98 0.77 -4 10 0 8.64 0.65 -4 10 0 8.78 0.57 -5 -10 0 0.59 0.43 5 -10 0 0.43 0.41 -5 -10 0 0.78 0.4 5 -10 0 0.72 0.35 5 -10 0 0.5 0.38 -5 10 0 0.62 0.31 5 10 0 0.31 0.39 -5 10 0 0.46 0.34 -5 10 0 0.68 0.3 6 -10 0 95.84 2.89 6 -10 0 95.2 3.04 -6 -10 0 92.78 2.98 -6 -10 0 94.05 2.96 6 10 0 90.08 2.97 -6 10 0 96.28 2.8 -6 10 0 95.96 2.75 -6 10 0 94.98 2.75 7 -10 0 1.44 0.41 7 -10 0 0.67 0.52 -7 -10 0 -0.09 0.47 -7 -10 0 0.32 0.45 -7 10 0 1.33 0.33 7 10 0 0.84 0.44 -7 10 0 0.97 0.38 7 10 0 0.55 0.47 -7 10 0 0.11 0.45 8 -10 0 8.47 0.99 -8 -10 0 9.26 0.95 -8 -10 0 8.06 0.78 8 -10 0 7.22 0.74 8 10 0 7.88 0.81 -8 10 0 8.01 0.48 -8 10 0 9.2 0.55 8 10 0 8.11 0.95 -8 10 0 6.5 0.7 -8 10 0 7.16 0.74 9 -10 0 2.73 0.47 -9 -10 0 2.75 0.63 -9 -10 0 3.72 0.61 9 -10 0 3.1 0.66 9 10 0 3.36 0.56 -9 10 0 2.89 0.46 9 10 0 3.78 0.69 10 -10 0 4.55 0.78 10 -10 0 3.06 0.49 -10 -10 0 3.6 0.7 -10 -10 0 2.38 0.63 10 10 0 2.61 0.67 -10 10 0 3.47 0.52 10 10 0 4.11 0.6 -11 -10 0 4.94 0.87 -11 -10 0 4.1 0.74 11 -10 0 4.35 0.84 11 -10 0 4.91 0.57 -11 10 0 4.12 0.58 11 10 0 3.79 0.62 11 10 0 3.82 0.79 -12 -10 0 0.81 0.64 -12 -10 0 -0.07 0.94 12 -10 0 1.37 0.75 12 -10 0 0.72 0.48 -12 10 0 1.02 0.54 12 10 0 -0.28 0.57 0 -11 0 0.18 0.3 0 -11 0 -0.23 0.34 0 -11 0 0.44 0.4 0 11 0 0.24 0.34 0 11 0 -0.06 0.34 -1 -11 0 4.89 0.56 -1 -11 0 4.96 0.6 1 -11 0 4.18 0.48 1 -11 0 4.83 0.46 -1 -11 0 5.05 0.57 1 -11 0 3.7 0.53 -1 11 0 4.52 0.45 1 11 0 4.25 0.53 -2 -11 0 10.87 0.86 2 -11 0 12.73 0.79 2 -11 0 12.47 0.89 -2 -11 0 12 0.76 -2 11 0 12.4 0.69 2 11 0 12.48 0.83 3 -11 0 32.92 1.39 -3 -11 0 31.46 1.36 3 -11 0 32.49 1.25 -3 -11 0 34.22 1.31 3 11 0 33.73 1.37 -3 11 0 33.69 1.17 -4 -11 0 50.19 1.82 4 -11 0 52.19 1.73 4 -11 0 53.7 1.94 -4 -11 0 53.11 1.9 4 -11 0 56.72 1.9 -4 11 0 52.3 1.66 4 11 0 50.93 1.88 5 -11 0 109.86 3.25 -5 -11 0 110.88 3.46 -5 -11 0 112.64 3.41 5 -11 0 113.43 3.41 5 -11 0 114.77 3.51 -5 11 0 112.19 3.22 -5 11 0 112.95 3.29 5 11 0 111.14 3.46 -5 11 0 109.45 3.24 6 -11 0 0.49 0.42 -6 -11 0 -0.49 0.44 -6 -11 0 -0.04 0.43 6 -11 0 -0.36 0.49 -6 11 0 1.14 0.39 -6 11 0 -0.09 0.36 6 11 0 -0.35 0.44 7 -11 0 24.22 1.16 7 -11 0 25.46 1.38 -7 -11 0 24.52 1.29 -7 -11 0 24.78 1.33 -7 11 0 23.99 1.04 -7 11 0 24.45 1.08 -7 11 0 26.25 1.03 7 11 0 24.31 1.31 7 11 0 24.43 1.23 8 -11 0 15.06 0.98 -8 -11 0 17.29 1.17 8 -11 0 15.56 1.24 -8 -11 0 16.45 1.17 -8 11 0 16.24 0.7 8 11 0 16.35 1.19 8 11 0 15.03 1.04 -8 11 0 15.41 0.87 9 -11 0 19.2 1.06 -9 -11 0 19.98 1.32 -9 -11 0 18.71 1.31 9 -11 0 20.71 1.37 9 11 0 19.24 1.35 9 11 0 18.1 1.14 -9 11 0 18.29 0.95 10 -11 0 22.11 1.49 -10 -11 0 23.12 1.48 -10 -11 0 22.94 1.46 10 -11 0 23.22 1.15 10 11 0 20.81 1.46 -10 11 0 22.66 1.1 10 11 0 23.61 1.27 -11 -11 0 27.57 1.6 11 -11 0 27.35 1.7 11 -11 0 27.46 1.28 -11 -11 0 28.31 1.71 -11 11 0 26.21 1.24 11 11 0 28.11 1.44 11 11 0 25.72 1.64 0 -12 0 2.7 0.49 0 -12 0 3.86 0.58 0 -12 0 3.84 0.45 0 12 0 3.62 0.53 1 -12 0 0.91 0.48 -1 -12 0 1.29 0.37 1 -12 0 0.1 0.33 1 -12 0 0.4 0.39 -1 -12 0 0.52 0.41 -1 -12 0 0.55 0.46 1 12 0 0.5 0.39 -1 12 0 0.12 0.38 2 -12 0 89.03 2.85 2 -12 0 89.14 2.65 -2 -12 0 89.1 2.72 -2 -12 0 87.91 2.83 2 -12 0 88.89 2.75 2 12 0 86.17 2.8 -2 12 0 86.28 2.62 -3 -12 0 52.54 1.89 3 -12 0 51.79 1.76 3 -12 0 51.39 1.89 -3 -12 0 50.38 1.78 3 12 0 48.25 1.84 -3 12 0 49.49 1.64 -4 -12 0 47.29 1.75 -4 -12 0 46.74 1.82 4 -12 0 48.53 1.81 4 -12 0 48.72 1.65 -4 12 0 48.05 1.57 4 12 0 46.36 1.8 -5 -12 0 0.31 0.46 5 -12 0 1.25 0.38 -5 -12 0 0.6 0.48 5 -12 0 1.28 0.58 5 -12 0 1.37 0.49 5 12 0 1.75 0.54 -5 12 0 1.94 0.4 -5 12 0 0.56 0.38 6 -12 0 9.36 1.06 -6 -12 0 8.42 1 6 -12 0 8.36 0.88 -6 -12 0 7.96 0.93 -6 12 0 8.77 0.73 6 12 0 8.95 0.98 -6 12 0 10.99 0.98 -7 -12 0 1.49 0.57 -7 -12 0 0.54 0.55 7 -12 0 0.09 0.59 7 -12 0 0.63 0.5 -7 12 0 1.28 0.45 7 12 0 1.07 0.56 -8 -12 0 6.81 0.83 -8 -12 0 6.99 0.82 8 -12 0 8.86 0.94 8 -12 0 8.04 0.76 -8 12 0 6.32 0.7 -8 12 0 7.29 0.74 8 12 0 6.21 0.8 8 12 0 7.82 0.79 -9 -12 0 14.48 1.27 9 -12 0 12.88 1.32 -9 -12 0 12.51 1.24 9 -12 0 13.19 1.03 9 12 0 12.54 1.27 -9 12 0 12.36 0.85 -9 12 0 13.21 0.68 9 12 0 13.11 1.1 10 -12 0 7.44 0.97 -10 -12 0 8.59 0.94 -10 -12 0 12.76 1.47 10 -12 0 8.5 0.77 10 12 0 7.33 0.93 10 12 0 9.05 0.87 -10 12 0 6.79 0.8 11 -12 0 7.48 1.24 11 12 0 6.32 0.93 0 -13 0 -0.16 0.52 0 -13 0 0.41 0.37 0 -13 0 -0.06 0.42 0 13 0 -0.45 0.39 1 -13 0 21.51 1.25 1 -13 0 23.28 1.03 1 -13 0 23.15 1.17 -1 -13 0 19.83 1.16 -1 -13 0 21.81 1.06 1 13 0 22.61 1.16 -2 -13 0 2.3 0.48 2 -13 0 1.54 0.55 2 -13 0 2.81 0.43 2 -13 0 2.37 0.49 -2 -13 0 1.91 0.53 2 13 0 1.75 0.49 -3 -13 0 2.42 0.56 -3 -13 0 2.72 0.51 3 -13 0 3.09 0.5 3 -13 0 2.49 0.57 3 13 0 3.24 0.6 -3 13 0 3.48 0.47 -4 -13 0 51.27 2.02 -4 -13 0 53.49 1.92 4 -13 0 54.02 2 4 -13 0 52.19 1.83 -4 13 0 51.03 1.8 4 13 0 52.59 2 5 -13 0 0.54 0.39 -5 -13 0 0.98 0.53 -5 -13 0 1.33 0.6 5 -13 0 0.25 0.51 -5 13 0 0.82 0.4 5 13 0 1.5 0.55 6 -13 0 15.86 1.1 6 -13 0 15.84 1.29 -6 -13 0 15.6 1.23 -6 -13 0 14.48 1.1 6 13 0 15.13 1.18 -6 13 0 15.14 0.87 7 -13 0 78.82 2.84 -7 -13 0 79.22 2.71 -7 -13 0 81.15 2.81 7 -13 0 78.46 2.63 7 13 0 77.21 2.73 -7 13 0 74.67 2.41 7 13 0 77.01 2.75 -8 -13 0 10.08 1.16 -8 -13 0 11.34 1.24 8 -13 0 9.91 1.03 8 -13 0 9.2 0.99 -8 13 0 8.88 0.67 -8 13 0 7.76 0.77 8 13 0 9.24 1.08 8 13 0 8.94 0.92 -9 -13 0 4.94 0.81 9 -13 0 6.83 0.75 9 -13 0 5.01 0.9 -9 -13 0 5.77 0.86 -9 13 0 4.84 0.56 9 13 0 6.74 0.81 9 13 0 6.33 0.89 -10 -13 0 41.2 2.07 -10 -13 0 34.43 2.58 10 -13 0 42.58 2.27 10 -13 0 42.87 1.75 10 13 0 42.89 2.07 10 13 0 45.38 1.92 0 -14 0 5.93 0.68 0 -14 0 5.39 0.58 0 14 0 6.45 0.73 -1 -14 0 106.86 3.31 -1 -14 0 102.99 3.15 1 -14 0 104.24 3.39 1 -14 0 103.89 3.26 1 -14 0 108.91 3.14 -1 14 0 98.57 3.26 1 14 0 95.59 3.26 -2 -14 0 0.69 0.47 2 -14 0 0.29 0.45 2 -14 0 0.42 0.52 -2 -14 0 0.27 0.51 2 14 0 0.74 0.5 3 -14 0 0.27 0.57 -3 -14 0 -0.4 0.47 3 -14 0 0.04 0.45 -3 -14 0 0.27 0.45 3 14 0 -0.42 0.47 -4 -14 0 0.42 0.53 4 -14 0 -0.37 0.51 4 -14 0 0.36 0.46 -4 -14 0 0.18 0.47 4 14 0 0.02 0.51 -5 -14 0 23.56 1.37 5 -14 0 24.15 1.33 5 -14 0 19.36 1.11 -5 -14 0 21.78 1.26 -5 14 0 20.29 0.97 5 14 0 20.82 1.32 6 -14 0 0.2 0.57 -6 -14 0 0.29 0.6 -6 -14 0 1.09 0.59 -6 14 0 0.57 0.72 6 14 0 0.6 0.64 -7 -14 0 4.62 0.76 7 -14 0 4.32 0.72 -7 -14 0 3.67 0.79 7 -14 0 4.88 0.87 7 14 0 3.61 0.73 -7 14 0 5.52 0.57 7 14 0 5.87 0.79 8 -14 0 17.28 1.52 -8 -14 0 15.57 1.32 -8 -14 0 17.47 1.61 8 -14 0 18.8 1.28 -8 14 0 16.85 0.84 -8 14 0 13.62 0.91 8 14 0 15.07 1.27 8 14 0 12.34 1.55 0 -15 0 0.09 0.47 0 -15 0 0.12 0.51 0 15 0 -0.31 0.51 -1 -15 0 21.16 1.31 1 -15 0 22.32 1.12 1 -15 0 22.09 1.27 -1 -15 0 21.54 1.17 -1 15 0 18.18 1.23 1 15 0 22.12 1.32 -2 -15 0 4.93 0.66 2 -15 0 4.64 0.76 -2 -15 0 5.13 0.73 2 -15 0 4.6 0.67 2 15 0 5.63 0.76 -3 -15 0 4.48 0.69 -3 -15 0 4.48 0.74 3 -15 0 4.67 0.66 3 -15 0 4.77 0.8 3 15 0 4.7 0.77 4 -15 0 3.16 0.61 4 -15 0 3.92 0.74 -4 -15 0 3.33 0.67 -4 -15 0 3.55 0.75 4 15 0 3.1 0.67 -4 15 0 3.25 0.47 5 -15 0 4.11 0.72 -5 -15 0 0.81 0.63 -5 -15 0 1.4 0.84 -5 15 0 1.19 0.45 5 15 0 1.48 0.69 -6 -15 0 29.13 1.77 -6 -15 0 29.59 1.63 6 -15 0 31.52 1.6 -6 15 0 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