#------------------------------------------------------------------------------ #$Date: 2023-09-15 00:57:31 +0300 (Fri, 15 Sep 2023) $ #$Revision: 286340 $ #$URL: file:///home/coder/svn-repositories/cod/cif/7/13/21/7132136.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_7132136 loop_ _publ_author_name 'Horvath, Mikayla L.' 'Jumbelic, Caylee E.' 'Burynski, Rosemarie A.' 'Mistrot, M. Brody' 'Pike, Robert D.' 'Smith, Brian J.' 'Arslan, Hasan' _publ_section_title ; Rapid single crystal growth via guest displacement from host-guest complexes. ; _journal_name_full 'Chemical communications (Cambridge, England)' _journal_paper_doi 10.1039/d3cc03406b _journal_year 2023 _chemical_formula_moiety 'C28 H20 N2, C48 H40 N4, 4(C F3 O3 S), 2(C6 H7 N)' _chemical_formula_sum 'C92 H74 F12 N8 O12 S4' _chemical_formula_weight 1839.83 _chemical_name_systematic '9,16,27,34-Tetra-azonianonacyclo[32.2.2.22,5.26,9.211,14.216,19.220,23.224,27.229,32]dopentaconta-1(36),2,4,6,8,11,13,16,18,20,22,24,26,29,31,34,37,39,41,43,45,47,49,51-tetracosaene tetrakis(triflate) (1E,1'E)-1,1'-(anthracene-9,10-diyl)bis(N-phenylmethanimine) bis(aniline)' _space_group_crystal_system monoclinic _space_group_IT_number 14 _space_group_name_Hall '-P 2yn' _space_group_name_H-M_alt 'P 1 21/n 1' _atom_sites_solution_hydrogens geom _audit_creation_method SHELXL-2018/3 _audit_update_record ; 2023-06-27 deposited with the CCDC. 2023-08-22 downloaded from the CCDC. ; _cell_angle_alpha 90 _cell_angle_beta 102.544(3) _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 11.6339(17) _cell_length_b 20.236(3) _cell_length_c 18.043(3) _cell_measurement_reflns_used 9828 _cell_measurement_temperature 100(2) _cell_measurement_theta_max 25.97 _cell_measurement_theta_min 2.34 _cell_volume 4146.4(11) _computing_cell_refinement 'SAINTPLUS (Bruker AXS, 2004)' _computing_data_collection 'APEX3 (Bruker AXS, 2015)' _computing_data_reduction SAINTPLUS _computing_molecular_graphics 'SHELXLE (Hubschle, 2011)' _computing_publication_material 'Mercury 3.7 (CCDC, 2016)' _computing_structure_refinement 'SHELXL-2014/5 (Sheldrick, 2014)' _computing_structure_solution 'SHELXS97 (Sheldrick, 1997)' _diffrn_ambient_temperature 100(2) _diffrn_measured_fraction_theta_full 1.000 _diffrn_measured_fraction_theta_max 0.997 _diffrn_measurement_device_type 'Bruker SMART APEX II CCD' _diffrn_measurement_method '\w and \y' _diffrn_radiation_monochromator graphite _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0350 _diffrn_reflns_av_unetI/netI 0.0232 _diffrn_reflns_Laue_measured_fraction_full 1.000 _diffrn_reflns_Laue_measured_fraction_max 0.997 _diffrn_reflns_limit_h_max 14 _diffrn_reflns_limit_h_min -14 _diffrn_reflns_limit_k_max 24 _diffrn_reflns_limit_k_min -25 _diffrn_reflns_limit_l_max 22 _diffrn_reflns_limit_l_min -22 _diffrn_reflns_number 55735 _diffrn_reflns_point_group_measured_fraction_full 1.000 _diffrn_reflns_point_group_measured_fraction_max 0.997 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 26.089 _diffrn_reflns_theta_min 1.533 _exptl_absorpt_coefficient_mu 0.212 _exptl_absorpt_correction_T_max 0.7453 _exptl_absorpt_correction_T_min 0.6359 _exptl_absorpt_correction_type numerical _exptl_absorpt_process_details 'SADABS (Sheldrick, 2004)' _exptl_crystal_colour red _exptl_crystal_density_diffrn 1.474 _exptl_crystal_description prism _exptl_crystal_F_000 1900 _exptl_crystal_recrystallization_method 'Re-crystallisation from solvent: acetonitrile/isopropyl ether' _exptl_crystal_size_max 0.540 _exptl_crystal_size_mid 0.209 _exptl_crystal_size_min 0.148 _refine_diff_density_max 0.666 _refine_diff_density_min -0.443 _refine_diff_density_rms 0.051 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.028 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 577 _refine_ls_number_reflns 8206 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.028 _refine_ls_R_factor_all 0.0482 _refine_ls_R_factor_gt 0.0376 _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^)+(0.0438P)^2^+3.4032P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0927 _refine_ls_wR_factor_ref 0.0993 _reflns_Friedel_coverage 0.000 _reflns_number_gt 6809 _reflns_number_total 8206 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file d3cc03406b3.cif _cod_data_source_block mo_Arslan012_0m_a _cod_original_cell_volume 4146.4(10) _cod_original_sg_symbol_H-M 'P 21/n' _cod_database_code 7132136 _shelx_shelxl_version_number 2018/3 _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; _shelx_estimated_absorpt_t_min 0.894 _shelx_estimated_absorpt_t_max 0.969 _shelx_res_file ; TITL mo_Arslan012_0m_a.res in P2(1)/n mo_Arslan012_0m_a.res created by SHELXL-2018/3 at 13:45:09 on 22-Nov-2021 REM Old TITL mo_Arslan012_0m in P2(1)/n REM SHELXT solution in P2(1)/n REM R1 0.129, Rweak 0.005, Alpha 0.021, Orientation as input REM Formula found by SHELXT: C46 F6 N4 O6 S2 CELL 0.71073 11.6339 20.2364 18.0430 90.000 102.544 90.000 ZERR 2.000 0.0017 0.0029 0.0026 0.000 0.003 0.000 LATT 1 SYMM 1/2-X, 1/2+Y, 1/2-Z SFAC C H F N O S UNIT 184 148 24 16 24 8 TEMP -173.000 SIZE 0.148 0.209 0.54 L.S. 20 BOND $H LIST 4 CONF EQIV $2 x-1, y, z HTAB C8 O1_$2 HTAB C10 S1_$2 EQIV $3 -x+1/2, y-1/2, -z+1/2 HTAB C15 O3_$3 EQIV $4 x-1/2, -y+1/2, z+1/2 HTAB C19 O2_$4 EQIV $5 -x+1/2, y+1/2, -z+1/2 HTAB C27 F4_$5 EQIV $6 -x+1, -y+1, -z+1 HTAB C29 O5_$6 HTAB C30 O1_$6 HTAB C31 O5_$6 EQIV $7 x-1/2, -y+3/2, z+1/2 HTAB C38 O3_$7 HTAB C38 O2_$5 HTAB N4 O3_$6 EQIV $8 x+1/2, -y+1/2, z+1/2 HTAB N4 O4_$8 HTAB C46 O3_$6 ACTA FMAP 2 PLAN 5 WGHT 0.043800 3.403200 FVAR 0.28468 MOLE 1 N1 4 0.012061 0.490918 0.295690 11.00000 0.02424 0.02194 = 0.02433 -0.00016 0.00549 -0.00145 C1 1 -0.103798 0.325263 0.488136 11.00000 0.02206 0.01429 = 0.03648 -0.00483 0.01027 -0.00268 AFIX 43 H1 2 -0.138428 0.284754 0.468021 11.00000 -1.20000 AFIX 0 C2 1 -0.095438 0.376375 0.440246 11.00000 0.02041 0.01901 = 0.02661 -0.00565 0.00742 -0.00314 AFIX 43 H2 2 -0.121857 0.370479 0.387028 11.00000 -1.20000 AFIX 0 C3 1 -0.047332 0.438873 0.469115 11.00000 0.01286 0.01580 = 0.02543 -0.00190 0.00638 0.00062 C4 1 -0.032021 0.491229 0.420162 11.00000 0.01221 0.01740 = 0.02374 -0.00028 0.00410 0.00067 C5 1 0.012421 0.552877 0.450064 11.00000 0.01249 0.01675 = 0.02446 -0.00036 0.00476 0.00056 C6 1 0.018346 0.608948 0.402615 11.00000 0.01953 0.02013 = 0.02573 0.00147 0.00692 0.00019 AFIX 43 H6 2 -0.008306 0.604846 0.349187 11.00000 -1.20000 AFIX 0 C7 1 0.061418 0.668032 0.432541 11.00000 0.02465 0.01698 = 0.03341 0.00298 0.01156 -0.00019 AFIX 43 H7 2 0.063022 0.704837 0.400097 11.00000 -1.20000 AFIX 0 MOLE 2 N2 4 0.041617 0.154611 0.477073 11.00000 0.01853 0.01397 = 0.01862 -0.00063 0.00316 -0.00037 N3 4 0.408495 0.669697 0.471821 11.00000 0.01753 0.01500 = 0.02236 -0.00028 0.00632 -0.00056 C8 1 -0.061869 0.479527 0.337117 11.00000 0.01848 0.01501 = 0.02511 -0.00118 0.00251 -0.00040 AFIX 43 H8 2 -0.137792 0.463166 0.314153 11.00000 -1.20000 AFIX 0 C9 1 -0.023380 0.478487 0.216279 11.00000 0.02618 0.02027 = 0.02707 0.00085 0.00864 -0.00314 C10 1 -0.132905 0.497654 0.173531 11.00000 0.02735 0.02396 = 0.02837 0.00168 0.00887 0.00235 AFIX 43 H10 2 -0.187448 0.519644 0.197285 11.00000 -1.20000 AFIX 0 C11 1 -0.162210 0.484564 0.096146 11.00000 0.03429 0.03005 = 0.03014 0.00360 0.00362 0.00060 AFIX 43 H11 2 -0.237254 0.497322 0.067290 11.00000 -1.20000 AFIX 0 C12 1 -0.083398 0.453200 0.060720 11.00000 0.04925 0.03236 = 0.02736 -0.00114 0.01056 0.00078 AFIX 43 H12 2 -0.104476 0.443881 0.007899 11.00000 -1.20000 AFIX 0 C13 1 0.026696 0.435386 0.102702 11.00000 0.04499 0.03163 = 0.03610 -0.00218 0.01847 0.00649 AFIX 43 H13 2 0.081599 0.414431 0.078363 11.00000 -1.20000 AFIX 0 C14 1 0.057031 0.448001 0.179990 11.00000 0.02877 0.02934 = 0.03538 0.00243 0.01117 0.00335 AFIX 43 H14 2 0.132750 0.435875 0.208372 11.00000 -1.20000 AFIX 0 C15 1 0.029736 0.188965 0.411699 11.00000 0.02138 0.01945 = 0.01469 -0.00137 0.00291 -0.00105 AFIX 43 H15 2 -0.022416 0.173326 0.367151 11.00000 -1.20000 AFIX 0 C16 1 0.091894 0.246114 0.408706 11.00000 0.02240 0.01936 = 0.01415 0.00039 0.00506 0.00048 AFIX 43 H16 2 0.083070 0.269383 0.362080 11.00000 -1.20000 AFIX 0 C17 1 0.168417 0.270462 0.474001 11.00000 0.01465 0.01560 = 0.01856 -0.00074 0.00544 0.00196 C18 1 0.185270 0.230639 0.538773 11.00000 0.02066 0.01919 = 0.01893 0.00123 -0.00201 -0.00146 AFIX 43 H18 2 0.242082 0.243029 0.582792 11.00000 -1.20000 AFIX 0 C19 1 0.120864 0.173820 0.539717 11.00000 0.02287 0.01847 = 0.01840 0.00283 0.00024 0.00025 AFIX 43 H19 2 0.132119 0.147925 0.584635 11.00000 -1.20000 AFIX 0 C20 1 0.220454 0.337338 0.474767 11.00000 0.01442 0.01529 = 0.01758 -0.00004 0.00347 0.00122 C21 1 0.224462 0.370126 0.407174 11.00000 0.01990 0.01927 = 0.01617 -0.00252 0.00405 -0.00250 AFIX 43 H21 2 0.201152 0.347653 0.360073 11.00000 -1.20000 AFIX 0 C22 1 0.262085 0.435004 0.408339 11.00000 0.02174 0.01912 = 0.01752 0.00248 0.00558 -0.00204 AFIX 43 H22 2 0.263452 0.456687 0.361838 11.00000 -1.20000 AFIX 0 C23 1 0.298164 0.469274 0.476752 11.00000 0.01445 0.01536 = 0.01981 0.00003 0.00500 0.00129 C24 1 0.296842 0.436138 0.544542 11.00000 0.02439 0.01954 = 0.01503 -0.00235 0.00347 -0.00253 AFIX 43 H24 2 0.322205 0.458215 0.591733 11.00000 -1.20000 AFIX 0 C25 1 0.258613 0.371120 0.543132 11.00000 0.02716 0.01825 = 0.01509 0.00196 0.00426 -0.00236 AFIX 43 H25 2 0.258403 0.349149 0.589633 11.00000 -1.20000 AFIX 0 C26 1 0.335581 0.539415 0.476342 11.00000 0.01493 0.01583 = 0.02034 -0.00127 0.00734 0.00147 C27 1 0.298014 0.578651 0.411638 11.00000 0.02087 0.01797 = 0.01874 -0.00302 0.00484 -0.00066 AFIX 43 H27 2 0.246379 0.560642 0.368240 11.00000 -1.20000 AFIX 0 C28 1 0.335260 0.642896 0.410500 11.00000 0.02426 0.02014 = 0.01768 0.00021 0.00502 -0.00012 AFIX 43 H28 2 0.309378 0.668895 0.366174 11.00000 -1.20000 AFIX 0 C29 1 0.444032 0.633961 0.535684 11.00000 0.01875 0.01994 = 0.02079 -0.00113 0.00011 -0.00106 AFIX 43 H29 2 0.493839 0.653560 0.578802 11.00000 -1.20000 AFIX 0 C30 1 0.408789 0.569275 0.539006 11.00000 0.02078 0.01981 = 0.01997 0.00257 0.00078 -0.00037 AFIX 43 H30 2 0.434557 0.544682 0.584428 11.00000 -1.20000 AFIX 0 C31 1 0.444053 0.740816 0.469049 11.00000 0.02145 0.01491 = 0.02682 -0.00018 0.00702 -0.00502 AFIX 23 H31A 2 0.462825 0.750397 0.419185 11.00000 -1.20000 H31B 2 0.515606 0.749224 0.508961 11.00000 -1.20000 AFIX 0 C32 1 0.345764 0.785788 0.481035 11.00000 0.02074 0.01220 = 0.02266 0.00106 0.00610 -0.00535 C33 1 0.258352 0.805973 0.419409 11.00000 0.02703 0.01570 = 0.01816 0.00022 0.00571 -0.00434 AFIX 43 H33 2 0.263477 0.794042 0.369306 11.00000 -1.20000 AFIX 0 C34 1 0.163711 0.843517 0.431104 11.00000 0.02500 0.01374 = 0.01773 0.00335 0.00171 -0.00224 AFIX 43 H34 2 0.103457 0.856166 0.389010 11.00000 -1.20000 AFIX 0 C35 1 0.156735 0.862655 0.504039 11.00000 0.02105 0.00979 = 0.02084 0.00120 0.00395 -0.00470 C36 1 0.246211 0.844542 0.565276 11.00000 0.02396 0.01744 = 0.01687 -0.00253 0.00307 -0.00534 AFIX 43 H36 2 0.243338 0.858637 0.615064 11.00000 -1.20000 AFIX 0 C37 1 0.339708 0.805940 0.553919 11.00000 0.02061 0.01645 = 0.02073 0.00187 -0.00007 -0.00376 AFIX 43 H37 2 0.399796 0.793233 0.596080 11.00000 -1.20000 AFIX 0 C38 1 0.047417 0.897552 0.517360 11.00000 0.02254 0.01273 = 0.02048 0.00009 0.00323 -0.00360 AFIX 23 H38A 2 0.066568 0.923603 0.564893 11.00000 -1.20000 H38B 2 0.016045 0.927930 0.474759 11.00000 -1.20000 AFIX 0 MOLE 3 S1 6 0.567989 0.486314 0.215578 11.00000 0.01922 0.01740 = 0.01701 -0.00283 0.00511 -0.00124 F1 3 0.404535 0.410734 0.251251 11.00000 0.05261 0.02713 = 0.06179 -0.00362 0.03318 -0.01403 F2 3 0.401059 0.512412 0.286716 11.00000 0.03851 0.03646 = 0.04083 -0.00992 0.02408 0.00250 F3 3 0.338814 0.485600 0.168432 11.00000 0.02092 0.05444 = 0.04962 -0.01225 0.00124 0.00516 O1 5 0.641557 0.469515 0.287879 11.00000 0.02886 0.04244 = 0.02152 -0.00249 0.00031 0.00501 O2 5 0.574824 0.442149 0.154120 11.00000 0.02469 0.02718 = 0.02351 -0.00951 0.00637 0.00084 O3 5 0.566751 0.555519 0.196094 11.00000 0.04450 0.01898 = 0.03105 -0.00081 0.01590 -0.00510 C39 1 0.420168 0.472922 0.230766 11.00000 0.02490 0.02375 = 0.03354 -0.00464 0.01199 -0.00069 MOLE 4 S2 6 0.338021 0.227194 0.290462 11.00000 0.01486 0.02593 = 0.02283 -0.00516 0.00261 -0.00145 F4 3 0.275712 0.103740 0.268303 11.00000 0.09634 0.03776 = 0.06435 -0.00818 -0.02655 -0.02577 F5 3 0.271979 0.138046 0.378955 11.00000 0.08361 0.05904 = 0.08015 0.04033 0.05127 0.03193 F6 3 0.435320 0.116848 0.350093 11.00000 0.03343 0.02742 = 0.09009 -0.00478 -0.00444 0.01077 O4 5 0.216363 0.245470 0.262080 11.00000 0.01806 0.03850 = 0.02605 0.00636 0.00166 -0.00007 O5 5 0.393897 0.261374 0.358098 11.00000 0.05280 0.02305 = 0.04673 -0.01129 -0.02604 0.00631 O6 5 0.404556 0.220721 0.233445 11.00000 0.04622 0.07245 = 0.05760 0.01134 0.03629 0.01484 C40 1 0.329934 0.142180 0.324340 11.00000 0.02699 0.02768 = 0.03458 -0.00581 -0.00099 0.00072 MOLE 5 N4 4 0.483381 0.321549 0.712221 11.00000 0.02144 0.02645 = 0.02622 -0.00178 0.00603 0.00239 AFIX 93 H4A 2 0.477571 0.364912 0.711459 11.00000 -1.20000 H4B 2 0.548643 0.302513 0.706007 11.00000 -1.20000 AFIX 0 C41 1 0.389276 0.283041 0.723262 11.00000 0.02309 0.02225 = 0.01214 -0.00099 -0.00116 0.00028 C42 1 0.395012 0.213839 0.721373 11.00000 0.03477 0.02213 = 0.01948 -0.00012 -0.00480 0.00734 AFIX 43 H42 2 0.464882 0.192712 0.714518 11.00000 -1.20000 AFIX 0 C43 1 0.298675 0.176119 0.729510 11.00000 0.05348 0.01820 = 0.01929 0.00307 -0.00884 -0.00342 AFIX 43 H43 2 0.303346 0.129292 0.727863 11.00000 -1.20000 AFIX 0 C44 1 0.195833 0.205694 0.739994 11.00000 0.04221 0.03523 = 0.01885 0.00337 0.00092 -0.01775 AFIX 43 H44 2 0.130868 0.179469 0.746233 11.00000 -1.20000 AFIX 0 C45 1 0.189198 0.274094 0.741239 11.00000 0.02770 0.03592 = 0.01722 -0.00140 0.00441 -0.00481 AFIX 43 H45 2 0.118751 0.294866 0.747607 11.00000 -1.20000 AFIX 0 C46 1 0.284708 0.312454 0.733252 11.00000 0.02532 0.01886 = 0.01536 -0.00120 0.00168 -0.00039 AFIX 43 H46 2 0.279068 0.359255 0.734579 11.00000 -1.20000 AFIX 0 HKLF 4 REM mo_Arslan012_0m_a.res in P2(1)/n REM wR2 = 0.0993, GooF = S = 1.028, Restrained GooF = 1.028 for all data REM R1 = 0.0376 for 6809 Fo > 4sig(Fo) and 0.0482 for all 8206 data REM 577 parameters refined using 0 restraints END WGHT 0.0438 3.4032 REM Highest difference peak 0.666, deepest hole -0.443, 1-sigma level 0.051 Q1 1 0.2465 0.1211 0.3145 11.00000 0.05 0.67 Q2 1 0.4917 0.4805 0.2233 11.00000 0.05 0.47 Q3 1 0.5563 0.3008 0.7420 11.00000 0.05 0.45 Q4 1 0.3188 0.1743 0.4066 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0 20.70 3.10 8 6 0 22.30 2.60 -8 6 0 26.50 3.00 -8 6 0 20.80 3.00 -9 -6 0 0.80 1.80 -9 -6 0 3.00 1.90 -9 -6 0 -0.10 2.00 9 6 0 1.20 1.60 -9 6 0 1.30 1.90 -9 6 0 2.10 2.10 -10 -6 0 63.89 5.80 -10 -6 0 46.80 4.80 -10 -6 0 63.39 4.70 10 6 0 62.09 4.30 -10 6 0 62.99 4.70 -10 6 0 66.89 5.40 -11 -6 0 15.60 3.40 -11 -6 0 14.20 2.90 -11 -6 0 14.30 3.50 -11 6 0 15.00 3.10 -11 6 0 11.10 3.30 11 6 0 17.60 2.80 -12 -6 0 3.30 3.00 -12 -6 0 -1.10 1.90 -12 -6 0 3.60 2.50 12 6 0 -0.70 1.80 -12 6 0 2.40 2.70 -13 -6 0 3.30 3.00 -13 -6 0 1.60 2.10 -13 6 0 -0.20 2.80 13 6 0 -0.70 2.10 0 -7 0 0.80 1.00 0 -7 0 1.30 0.80 0 7 0 1.00 0.70 0 7 0 0.10 1.00 0 7 0 -0.30 1.40 0 7 0 1.20 1.10 0 7 0 2.00 0.80 -1 -7 0 138.79 4.90 1 -7 0 132.89 4.00 1 -7 0 128.59 4.50 -1 -7 0 131.49 4.70 1 -7 0 129.99 3.80 -1 -7 0 129.29 4.40 1 7 0 130.29 4.90 1 7 0 133.29 4.50 -1 7 0 135.49 3.70 -1 7 0 136.19 4.60 -1 7 0 124.89 5.10 1 7 0 139.39 5.30 -1 7 0 128.29 4.50 -2 -7 0 329.67 9.60 -2 -7 0 356.96 9.90 -2 -7 0 337.87 9.10 -2 7 0 334.77 8.60 -2 7 0 336.87 8.90 2 7 0 343.27 9.80 2 7 0 341.37 10.10 -2 7 0 343.17 9.90 2 7 0 343.57 9.30 -2 7 0 327.37 8.80 -3 -7 0 156.18 5.80 -3 -7 0 159.68 5.30 -3 -7 0 169.68 6.10 3 7 0 170.38 5.60 3 7 0 160.28 6.00 -3 7 0 168.08 6.20 -3 7 0 166.38 5.10 -3 7 0 161.08 4.80 -3 7 0 164.98 4.80 3 7 0 160.78 6.10 -4 -7 0 333.77 10.10 -4 -7 0 334.57 10.20 -4 -7 0 338.97 9.70 -4 7 0 329.07 8.30 4 7 0 333.17 9.60 4 7 0 349.57 10.30 -4 7 0 337.47 10.30 4 7 0 342.47 10.50 -4 7 0 341.27 9.50 -4 7 0 326.27 8.30 -5 -7 0 68.39 3.00 -5 -7 0 68.09 4.10 -5 -7 0 62.49 3.90 -5 -7 0 65.19 3.70 -5 7 0 65.79 2.00 5 7 0 60.19 3.50 5 7 0 66.79 4.10 -5 7 0 67.59 4.00 -5 7 0 67.99 3.40 -5 7 0 66.89 3.60 -5 7 0 66.09 2.00 -6 -7 0 258.67 8.90 -6 -7 0 267.07 9.30 -6 -7 0 262.07 9.00 -6 7 0 266.17 9.20 6 7 0 252.87 8.30 -6 7 0 265.87 8.30 -6 7 0 269.57 8.80 6 7 0 272.87 9.10 -7 -7 0 285.97 9.70 -7 -7 0 270.87 9.90 -7 -7 0 279.67 9.80 -7 7 0 290.67 9.10 -7 7 0 286.97 10.00 7 7 0 265.07 8.90 -7 7 0 280.97 9.60 -8 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58.19 3.20 -2 -8 0 58.79 3.40 -2 -8 0 60.69 3.00 2 -8 0 57.49 1.90 -2 8 0 61.59 2.80 2 8 0 57.69 3.50 -2 8 0 51.69 2.70 2 8 0 54.69 3.80 -2 8 0 60.69 3.50 2 8 0 56.19 3.10 -2 8 0 58.69 2.40 -3 -8 0 1704.23 40.90 -3 -8 0 1724.73 40.00 -3 -8 0 1705.83 40.80 3 8 0 1731.63 41.20 -3 8 0 1745.83 39.60 -3 8 0 1708.63 39.40 3 8 0 1735.13 40.90 3 8 0 1745.83 40.20 -3 8 0 1682.03 39.40 -3 8 0 1724.13 41.10 -4 -8 0 53.19 3.60 -4 -8 0 55.09 3.70 -4 -8 0 56.69 3.00 -4 8 0 62.39 3.10 4 8 0 62.79 3.50 -4 8 0 56.39 2.40 -4 8 0 59.59 2.40 4 8 0 56.39 3.80 -4 8 0 57.29 3.80 4 8 0 58.29 4.00 -5 -8 0 8.80 1.40 -5 -8 0 9.20 1.90 -5 -8 0 8.20 1.90 5 8 0 13.50 2.40 -5 8 0 9.40 0.90 -5 8 0 9.60 1.80 5 8 0 5.60 2.30 -5 8 0 9.40 0.90 5 8 0 11.50 2.00 -5 8 0 11.20 2.20 -6 -8 0 4.50 1.70 -6 -8 0 5.00 2.00 -6 -8 0 3.30 1.70 -6 8 0 0.50 1.60 6 8 0 5.00 2.40 -6 8 0 2.50 1.60 6 8 0 2.80 1.60 6 8 0 2.10 1.80 -7 -8 0 5.80 2.20 -7 -8 0 5.10 2.00 -7 -8 0 5.90 2.00 -7 8 0 3.30 1.80 7 8 0 7.70 2.00 -7 8 0 8.40 1.90 -7 8 0 5.00 2.20 -8 -8 0 21.20 3.30 -8 -8 0 13.10 3.00 -8 -8 0 18.20 2.90 8 8 0 19.00 2.60 -8 8 0 18.20 3.20 -8 8 0 24.80 3.00 -8 8 0 24.90 3.20 -9 -8 0 2.20 2.20 -9 -8 0 1.50 2.30 -9 -8 0 1.70 1.90 9 8 0 2.70 1.80 -9 8 0 1.90 2.20 -9 8 0 1.90 2.00 -9 8 0 -2.00 1.60 -10 -8 0 97.29 6.60 -10 -8 0 91.29 5.90 -10 -8 0 85.69 6.10 -10 8 0 99.19 5.60 10 8 0 79.39 5.20 -10 8 0 76.09 5.80 -11 -8 0 0.30 2.40 -11 -8 0 -1.50 1.80 11 8 0 1.50 2.00 -11 8 0 -2.00 2.30 -12 -8 0 39.30 5.10 -12 -8 0 43.10 4.90 12 8 0 41.20 4.40 -12 8 0 57.39 6.20 -13 -8 0 4.50 2.60 -13 -8 0 5.30 3.20 -13 8 0 4.30 3.20 13 8 0 4.40 2.70 0 -9 0 -1.70 1.00 0 -9 0 -0.10 0.90 0 9 0 0.10 0.80 0 9 0 0.70 1.20 0 9 0 -2.20 1.50 0 9 0 0.10 0.60 1 -9 0 631.44 15.50 -1 -9 0 607.44 15.80 1 -9 0 591.14 14.60 -1 -9 0 595.34 15.20 -1 -9 0 611.14 15.90 -1 9 0 587.04 15.40 -1 9 0 612.84 14.10 1 9 0 591.34 15.90 -1 9 0 584.74 15.40 1 9 0 606.34 15.10 -1 9 0 611.54 16.40 1 9 0 598.14 16.40 -2 -9 0 1.80 1.10 2 -9 0 0.90 0.70 2 -9 0 0.80 0.60 -2 -9 0 -0.50 1.20 -2 -9 0 2.70 1.40 -2 9 0 1.10 1.00 2 9 0 0.30 1.40 2 9 0 1.60 1.60 -2 9 0 0.70 0.80 2 9 0 1.30 1.20 -2 9 0 2.60 1.50 -2 9 0 0.30 1.00 -3 -9 0 256.17 7.80 -3 -9 0 254.57 8.40 -3 -9 0 256.07 8.60 3 9 0 252.57 8.00 -3 9 0 265.17 7.20 -3 9 0 251.27 7.30 -3 9 0 258.67 7.30 -3 9 0 248.58 8.60 3 9 0 248.98 8.80 3 9 0 263.27 8.70 -4 -9 0 233.38 8.20 -4 -9 0 214.78 7.90 -4 -9 0 230.68 7.20 4 9 0 226.68 8.40 -4 9 0 231.88 6.50 -4 9 0 231.28 8.30 -4 9 0 226.58 6.40 -4 9 0 235.08 7.10 4 9 0 242.58 7.70 4 9 0 229.48 8.20 -5 -9 0 75.69 4.70 -5 -9 0 80.99 4.80 -5 -9 0 89.39 3.90 5 9 0 90.89 4.60 -5 9 0 91.49 4.20 5 9 0 79.09 5.30 -5 9 0 84.59 2.90 5 9 0 99.79 5.10 -5 9 0 84.39 4.80 -5 9 0 88.29 3.00 -6 -9 0 29.90 3.30 -6 -9 0 29.30 3.50 6 9 0 29.00 3.00 -6 9 0 32.00 3.60 6 9 0 33.30 3.60 6 9 0 27.20 3.90 -6 9 0 30.40 3.00 -7 -9 0 148.19 6.90 -7 -9 0 130.39 6.60 7 9 0 141.69 6.30 7 9 0 134.79 7.40 -7 9 0 154.78 6.50 -7 9 0 151.88 7.20 -8 -9 0 88.89 5.80 -8 -9 0 83.39 5.50 -8 9 0 89.09 5.20 -8 9 0 99.59 5.10 8 9 0 89.49 5.20 -8 9 0 85.39 5.80 -9 -9 0 2.60 2.10 -9 -9 0 3.10 2.20 9 9 0 5.60 2.10 -9 9 0 3.20 1.90 -9 9 0 4.50 2.30 -9 9 0 2.60 2.40 -10 -9 0 6.80 2.60 -10 -9 0 5.70 2.70 -10 9 0 6.70 2.40 -10 9 0 8.60 2.80 10 9 0 6.70 2.40 -11 -9 0 11.70 3.70 -11 -9 0 8.30 2.80 -11 9 0 10.20 3.10 11 9 0 13.30 3.00 -12 -9 0 12.40 3.30 -12 -9 0 19.10 3.90 -12 9 0 17.70 4.00 12 9 0 18.10 3.40 -13 -9 0 39.80 5.10 -13 -9 0 44.50 6.10 -13 9 0 42.90 5.70 13 9 0 30.20 4.20 0 -10 0 328.37 9.30 0 -10 0 352.36 10.10 0 10 0 348.37 8.80 0 10 0 337.67 8.40 0 10 0 331.87 10.00 0 10 0 330.37 10.70 1 -10 0 282.17 8.40 -1 -10 0 279.37 8.10 -1 -10 0 274.07 8.70 1 -10 0 263.97 7.60 -1 -10 0 273.77 8.60 1 10 0 263.67 8.70 1 10 0 266.27 9.20 1 10 0 276.97 8.00 -1 10 0 275.37 6.90 -1 10 0 267.67 8.30 -1 10 0 262.87 9.10 -1 10 0 274.97 8.30 -2 -10 0 98.59 4.60 2 -10 0 104.79 3.50 -2 -10 0 107.59 5.00 -2 -10 0 98.29 4.20 2 -10 0 93.79 3.30 2 10 0 97.49 5.30 -2 10 0 92.69 5.00 -2 10 0 98.59 4.10 -2 10 0 99.69 4.20 2 10 0 104.29 4.40 -2 10 0 98.89 3.30 2 10 0 100.69 4.90 3 -10 0 108.49 3.00 -3 -10 0 106.39 4.50 3 -10 0 115.59 3.00 -3 -10 0 110.39 5.20 -3 -10 0 105.29 5.00 3 10 0 105.99 5.70 -3 10 0 103.69 4.20 3 10 0 107.09 4.80 -3 10 0 112.49 3.90 3 10 0 105.99 5.20 -3 10 0 110.59 5.30 -3 10 0 110.59 4.20 -4 -10 0 11.90 1.80 -4 -10 0 11.50 2.30 -4 -10 0 15.50 2.50 4 10 0 12.10 2.40 -4 10 0 15.10 1.80 4 10 0 12.80 2.10 -4 10 0 13.50 1.50 -4 10 0 11.80 1.50 4 10 0 10.80 2.50 -4 10 0 11.20 2.40 -5 -10 0 88.89 4.10 -5 -10 0 85.29 5.00 -5 -10 0 85.69 4.90 -5 10 0 87.19 3.20 -5 10 0 85.99 5.20 5 10 0 85.39 4.70 -5 10 0 85.59 3.20 5 10 0 81.09 5.30 5 10 0 90.39 5.20 -5 10 0 84.29 4.10 -6 -10 0 9.20 2.40 -6 -10 0 7.40 2.30 6 10 0 16.10 3.00 -6 10 0 7.40 2.00 6 10 0 11.00 2.30 -6 10 0 10.20 1.00 -6 10 0 9.40 2.40 6 10 0 10.50 3.10 -6 10 0 10.00 1.00 -7 -10 0 70.99 5.10 -7 -10 0 74.29 5.20 7 10 0 69.39 4.70 -7 10 0 67.89 4.50 -7 10 0 71.39 5.10 7 10 0 64.39 5.80 -8 -10 0 50.89 4.80 -8 -10 0 48.50 4.90 -8 10 0 46.70 4.30 8 10 0 44.10 4.10 -8 10 0 54.29 5.30 8 10 0 46.40 5.20 -9 -10 0 15.80 3.40 -9 -10 0 22.70 3.70 9 10 0 23.80 4.50 -9 10 0 16.30 3.40 -9 10 0 20.30 3.40 9 10 0 14.00 2.90 -10 -10 0 10.90 3.00 -10 -10 0 7.60 3.00 10 10 0 10.30 2.70 10 10 0 9.90 3.40 -10 10 0 10.60 2.80 -10 10 0 9.50 3.10 -11 -10 0 130.19 7.90 -11 -10 0 120.79 7.40 -11 10 0 124.09 7.50 11 10 0 128.39 8.50 11 10 0 115.89 6.80 -12 -10 0 6.80 3.30 -12 -10 0 1.60 2.50 12 10 0 9.50 4.20 -12 10 0 4.20 2.90 12 10 0 5.80 2.80 0 -11 0 -1.80 0.90 0 -11 0 -1.00 1.20 0 -11 0 1.80 1.50 0 11 0 -0.50 1.20 0 11 0 1.60 0.80 0 11 0 2.60 1.70 -1 -11 0 144.99 5.80 -1 -11 0 141.29 5.40 1 -11 0 143.39 5.00 1 -11 0 147.09 5.60 -1 -11 0 158.48 6.10 1 11 0 145.99 6.10 1 11 0 136.99 6.40 1 11 0 148.39 5.30 -1 11 0 148.59 5.70 -1 11 0 147.29 5.70 -1 11 0 151.98 4.20 -1 11 0 148.09 6.50 -2 -11 0 103.89 4.60 -2 -11 0 107.19 5.10 -2 -11 0 120.59 5.50 2 -11 0 114.29 4.00 2 -11 0 108.09 3.90 -2 11 0 105.09 5.50 2 11 0 103.39 5.20 2 11 0 110.79 4.70 -2 11 0 115.19 4.70 -2 11 0 105.59 4.60 2 11 0 113.59 5.70 -2 11 0 114.49 3.60 -3 -11 0 2.10 1.20 3 -11 0 1.90 0.80 -3 -11 0 -0.40 1.30 3 -11 0 2.80 0.80 -3 -11 0 1.50 1.70 -3 11 0 2.70 1.00 -3 11 0 3.40 1.80 3 11 0 1.00 1.50 3 11 0 2.30 1.50 3 11 0 -0.40 2.10 -3 11 0 1.80 1.20 -3 11 0 3.80 1.30 -4 -11 0 114.29 4.90 -4 -11 0 105.99 5.40 -4 -11 0 107.89 5.70 -4 11 0 109.69 4.30 4 11 0 114.79 5.30 4 11 0 115.19 6.40 -4 11 0 116.19 4.50 -4 11 0 110.89 4.20 -4 11 0 108.89 5.80 4 11 0 116.49 5.80 -5 -11 0 14.90 2.60 -5 -11 0 23.80 3.30 -5 11 0 26.40 3.40 5 11 0 25.60 4.00 -5 11 0 18.90 2.20 5 11 0 25.30 3.40 5 11 0 20.40 2.80 -5 11 0 19.80 1.80 -5 11 0 19.90 1.80 -6 -11 0 58.09 5.00 -6 -11 0 52.29 4.70 -6 11 0 53.79 2.30 6 11 0 50.99 5.30 -6 11 0 53.69 4.40 -6 11 0 50.19 2.30 -6 11 0 44.40 3.50 6 11 0 49.00 4.10 -7 -11 0 3.00 2.00 -7 -11 0 0.00 2.00 -7 11 0 2.80 2.00 7 11 0 0.60 2.00 -7 11 0 -0.20 1.70 7 11 0 -1.30 2.30 -8 -11 0 24.40 3.60 -8 -11 0 32.60 4.00 8 11 0 25.40 3.50 -8 11 0 32.70 3.70 8 11 0 21.20 3.90 -8 11 0 29.90 4.10 -9 -11 0 5.70 2.60 -9 -11 0 5.80 2.60 9 11 0 4.50 2.40 -9 11 0 5.00 2.40 9 11 0 8.90 3.20 -9 11 0 6.10 2.80 -10 -11 0 7.40 2.80 -10 -11 0 12.20 3.30 10 11 0 10.70 3.00 -10 11 0 12.30 3.10 -10 11 0 13.70 3.50 10 11 0 17.50 4.00 -11 -11 0 16.20 3.70 -11 -11 0 27.80 4.30 -11 11 0 26.10 4.10 11 11 0 20.80 4.40 11 11 0 14.40 3.30 -12 -11 0 25.90 4.50 -12 -11 0 30.00 4.70 12 11 0 15.40 3.50 -12 11 0 15.70 4.00 12 11 0 23.70 5.20 0 -12 0 47.90 3.60 0 -12 0 54.49 3.60 0 -12 0 51.19 3.10 0 12 0 52.29 2.20 0 12 0 53.49 4.10 0 12 0 49.60 3.60 1 -12 0 21.90 2.60 1 -12 0 18.40 1.90 -1 -12 0 20.90 2.60 -1 -12 0 18.70 2.20 -1 -12 0 21.30 2.70 1 12 0 19.80 2.60 -1 12 0 23.20 2.60 1 12 0 16.90 2.90 -1 12 0 16.40 2.30 -1 12 0 18.40 2.80 1 12 0 19.60 2.20 -1 12 0 22.30 1.40 -2 -12 0 105.29 4.80 2 -12 0 114.09 4.20 2 -12 0 111.09 4.30 -2 -12 0 98.39 5.20 -2 -12 0 118.29 5.60 2 12 0 113.89 5.60 2 12 0 115.49 4.90 -2 12 0 115.39 3.70 2 12 0 111.09 6.20 -2 12 0 112.99 5.90 -2 12 0 107.89 4.80 -2 12 0 110.99 4.90 -3 -12 0 30.70 3.30 3 -12 0 26.20 1.90 -3 -12 0 29.80 3.40 -3 -12 0 28.10 2.80 3 -12 0 27.10 1.90 3 12 0 27.10 3.80 3 12 0 33.00 3.20 -3 12 0 23.80 3.20 -3 12 0 26.10 2.50 -3 12 0 26.60 2.00 3 12 0 23.20 3.30 -3 12 0 25.40 2.40 -4 -12 0 0.70 1.30 4 -12 0 0.30 0.60 -4 -12 0 1.00 1.80 4 -12 0 1.00 0.60 -4 -12 0 0.20 1.50 -4 12 0 -1.40 1.00 4 12 0 0.00 2.50 -4 12 0 0.50 1.10 4 12 0 0.30 1.70 -4 12 0 -0.20 1.80 -4 12 0 -1.10 1.10 4 12 0 0.00 1.90 -5 -12 0 113.79 6.00 -5 -12 0 112.49 6.10 5 12 0 96.99 6.20 -5 12 0 109.39 4.70 5 12 0 114.29 6.20 -5 12 0 98.49 4.00 5 12 0 100.99 5.50 -5 12 0 98.49 4.00 -5 12 0 102.39 6.10 -6 -12 0 22.00 3.50 -6 -12 0 17.50 3.20 6 12 0 23.90 3.20 6 12 0 18.70 3.80 -6 12 0 19.10 1.70 -6 12 0 23.10 3.50 -6 12 0 19.00 2.50 -6 12 0 20.10 1.70 -7 -12 0 72.79 5.50 -7 -12 0 68.89 5.10 -7 12 0 64.69 5.40 -7 12 0 70.59 4.50 7 12 0 71.39 5.10 7 12 0 80.09 6.40 -8 -12 0 -0.50 2.20 -8 -12 0 0.30 2.00 -8 12 0 2.90 1.90 8 12 0 -0.20 2.10 8 12 0 0.20 2.70 -8 12 0 1.10 2.30 -9 -12 0 7.30 2.80 -9 -12 0 9.60 3.00 -9 12 0 5.10 2.40 9 12 0 4.90 3.10 9 12 0 1.70 2.30 -9 12 0 7.50 2.80 -10 -12 0 39.70 4.80 -10 -12 0 48.80 5.40 10 12 0 45.80 5.90 10 12 0 50.89 4.90 -10 12 0 49.30 5.10 -10 12 0 51.19 5.90 -11 -12 0 11.90 3.20 -11 -12 0 12.60 3.50 11 12 0 4.70 3.80 11 12 0 7.80 3.10 -11 12 0 7.10 3.10 -11 12 0 9.30 3.10 -12 -12 0 31.30 4.80 -12 -12 0 27.40 5.00 -12 12 0 32.20 4.90 12 12 0 26.80 5.30 12 12 0 21.70 4.00 0 -13 0 2.50 1.70 0 -13 0 1.00 1.60 0 -13 0 0.60 1.20 0 13 0 1.20 1.80 0 13 0 -1.30 1.40 0 13 0 -0.30 0.70 1 -13 0 82.99 4.50 -1 -13 0 86.49 4.90 1 -13 0 82.89 3.90 -1 -13 0 82.39 4.70 -1 -13 0 79.59 4.20 1 13 0 86.99 4.00 -1 13 0 88.19 2.80 -1 13 0 79.99 5.10 -1 13 0 86.89 4.50 1 13 0 90.99 5.70 1 13 0 73.39 4.70 -1 13 0 85.39 4.60 -2 -13 0 23.00 2.60 -2 -13 0 21.40 2.90 2 -13 0 24.40 2.20 -2 -13 0 20.20 2.80 -2 13 0 26.30 2.70 -2 13 0 25.10 2.70 -2 13 0 29.00 3.70 2 13 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8.90 -5 20 0 99.99 7.50 -5 20 0 92.99 5.60 -6 -20 0 -2.10 2.50 6 -20 0 -2.00 1.60 -6 20 0 1.60 1.80 -6 20 0 6.60 3.40 6 20 0 5.20 3.90 -7 -20 0 28.20 4.90 7 -20 0 29.30 3.00 -7 20 0 35.80 5.70 -7 20 0 32.10 3.10 7 20 0 33.80 6.30 -8 -20 0 7.80 3.30 8 -20 0 7.00 1.90 8 20 0 5.50 4.60 -8 20 0 4.90 1.40 -8 20 0 10.40 3.90 0 -21 0 2.60 2.10 0 -21 0 2.10 2.60 0 21 0 -0.90 3.00 0 21 0 3.10 2.70 -1 -21 0 38.10 4.70 1 -21 0 30.30 4.10 -1 -21 0 43.00 4.50 1 -21 0 37.90 4.10 1 21 0 34.80 4.60 1 21 0 44.60 6.00 -1 21 0 38.80 4.70 -1 21 0 37.40 5.60 2 -21 0 52.39 4.50 2 -21 0 42.70 4.60 -2 -21 0 51.79 5.60 -2 -21 0 42.80 4.60 -2 21 0 40.50 4.60 -2 21 0 42.90 5.90 2 21 0 44.60 5.30 2 21 0 47.80 6.30 3 -21 0 20.10 3.00 -3 -21 0 14.40 3.60 -3 -21 0 12.20 3.00 3 -21 0 17.70 3.40 3 21 0 16.80 4.30 3 21 0 15.00 3.90 -3 21 0 16.80 3.30 -3 21 0 12.30 3.60 4 -21 0 54.09 4.30 -4 -21 0 43.90 5.50 4 21 0 40.40 6.20 -4 21 0 47.20 4.70 -4 21 0 48.10 6.30 4 21 0 51.09 7.00 -5 -21 0 3.60 3.00 5 -21 0 0.70 1.90 -5 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14.70 1 11 4 538.85 15.60 1 11 4 536.95 15.60 -2 -11 -4 1.00 1.40 -2 -11 -4 3.50 1.80 2 -11 4 0.30 0.90 2 -11 4 0.90 0.90 -2 -11 -4 0.10 1.20 2 11 4 1.10 1.80 2 11 4 0.30 1.50 -2 11 -4 -0.50 1.60 2 11 4 1.40 1.70 -2 11 -4 -0.50 1.10 -2 11 -4 0.00 1.10 -3 -11 -4 -0.70 1.40 -3 -11 -4 0.20 1.30 -3 -11 -4 1.90 1.70 -3 11 -4 -0.20 1.00 3 11 4 0.80 1.70 -3 11 -4 1.00 1.20 3 11 4 1.70 2.10 3 11 4 0.40 1.80 -3 11 -4 1.10 1.70 -4 -11 -4 242.78 9.20 -4 -11 -4 238.78 7.90 -4 -11 -4 240.58 8.90 -4 11 -4 223.28 6.90 -4 11 -4 238.48 6.90 4 11 4 235.98 8.70 4 11 4 260.17 9.40 4 11 4 252.67 9.30 -4 11 -4 230.78 8.80 -5 -11 -4 367.16 12.40 -5 -11 -4 377.16 12.60 5 11 4 352.06 11.80 -5 11 -4 366.06 9.30 -5 11 -4 374.26 12.20 5 11 4 379.36 12.70 -5 11 -4 375.76 9.30 -6 -11 -4 18.30 3.10 -6 -11 -4 25.20 3.70 6 11 4 24.50 3.30 -6 11 -4 28.50 3.60 6 11 4 23.20 3.80 -7 -11 -4 130.29 7.10 -7 -11 -4 110.99 6.80 7 11 4 131.99 7.30 7 11 4 117.59 6.40 -7 11 -4 115.89 6.50 -8 -11 -4 310.07 12.10 -8 -11 -4 317.27 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4.70 4 -3 -8 87.79 3.90 -4 -3 8 89.39 4.00 -4 3 8 92.79 4.60 4 3 -8 88.59 4.10 -4 3 8 80.49 4.50 -4 3 8 89.99 3.50 4 3 -8 96.89 4.70 -3 -3 8 2.40 1.30 -3 -3 8 4.80 1.60 -3 -3 8 3.20 1.30 3 -3 -8 2.60 1.20 3 -3 -8 0.90 1.30 -3 3 8 0.50 1.20 -3 3 8 2.80 1.20 -3 3 8 3.00 1.30 3 3 -8 2.10 1.20 3 3 -8 2.90 1.30 -3 3 8 1.70 1.40 -2 -3 8 137.99 5.20 2 -3 -8 139.39 5.60 2 -3 -8 126.89 4.90 -2 -3 8 129.29 4.90 -2 -3 8 130.79 5.50 -2 3 8 126.09 4.90 2 3 -8 136.29 4.80 -2 3 8 139.49 4.90 -2 3 8 138.69 5.60 2 3 -8 137.89 5.50 -2 3 8 134.29 5.70 -1 -3 8 51.39 3.00 -1 -3 8 50.19 3.20 1 -3 -8 49.20 2.90 1 -3 -8 52.69 2.60 -1 -3 8 47.70 3.20 1 3 -8 53.19 2.60 1 3 -8 47.00 3.20 -1 3 8 59.59 3.30 -1 3 8 51.39 2.60 -1 3 8 49.30 3.60 -1 3 8 54.49 3.50 0 -3 -8 86.89 3.60 0 -3 8 75.29 3.50 0 -3 8 91.29 4.10 0 -3 -8 83.59 3.50 0 -3 -8 77.29 4.10 0 3 8 85.99 3.00 0 3 -8 80.59 3.00 0 3 -8 78.79 3.90 0 3 8 81.09 4.30 0 3 8 81.09 4.00 0 3 -8 74.09 3.80 -1 -3 -8 227.08 6.60 -1 -3 -8 231.98 7.70 -1 -3 -8 212.28 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0.80 1.80 11 4 -8 3.60 2.10 -10 -4 8 178.08 8.60 -10 -4 8 178.88 7.70 10 -4 -8 190.08 6.80 -10 -4 8 191.88 8.60 10 4 -8 188.88 7.70 -10 4 8 173.38 7.40 -10 4 8 183.18 8.90 -9 -4 8 136.79 6.90 -9 -4 8 126.99 6.90 -9 -4 8 126.29 6.00 9 -4 -8 126.89 5.30 -9 4 8 139.39 6.10 -9 4 8 131.89 7.00 9 4 -8 114.29 5.90 8 -4 -8 80.59 4.00 -8 -4 8 72.79 5.20 -8 -4 8 73.39 4.30 -8 -4 8 72.89 5.10 -8 4 8 84.79 5.50 8 4 -8 86.39 4.70 -8 4 8 74.09 4.50 -7 -4 8 4.80 2.00 -7 -4 8 3.20 1.60 -7 -4 8 3.80 2.00 7 -4 -8 6.70 1.50 -7 4 8 5.70 1.80 -7 4 8 -0.60 1.80 7 4 -8 6.30 2.00 -6 -4 8 5.10 1.70 6 -4 -8 6.00 1.70 -6 -4 8 1.70 1.50 -6 -4 8 6.50 1.50 6 -4 -8 4.70 1.40 -6 -4 8 8.80 2.10 -6 4 8 6.30 1.70 6 4 -8 4.90 1.60 -6 4 8 2.30 1.70 6 4 -8 7.40 2.10 -6 4 8 8.20 2.00 5 -4 -8 172.78 5.90 -5 -4 8 162.08 6.80 -5 -4 8 172.28 6.60 -5 -4 8 176.88 6.40 -5 -4 8 179.08 6.00 5 -4 -8 184.58 6.70 5 4 -8 173.18 6.40 -5 4 8 168.88 6.90 -5 4 8 169.78 6.60 -5 4 8 155.88 6.70 5 4 -8 186.58 7.10 -5 4 8 167.98 6.50 4 -4 -8 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8.20 11 -5 -9 186.68 7.30 11 5 -9 179.98 8.20 -11 5 9 195.38 8.00 -11 5 9 185.58 9.50 -10 -5 9 0.70 2.30 -10 -5 9 0.50 1.90 -10 -5 9 -0.80 2.10 10 -5 -9 3.00 1.50 -10 5 9 -1.20 1.90 -10 5 9 -0.40 1.60 10 5 -9 0.30 2.00 -9 -5 9 21.10 3.00 -9 -5 9 32.20 4.00 -9 -5 9 21.40 3.40 9 -5 -9 21.20 2.60 9 5 -9 24.90 3.20 -9 5 9 20.90 3.50 -9 5 9 22.10 3.00 -8 -5 9 170.28 7.10 8 -5 -9 168.28 6.30 -8 -5 9 168.48 7.60 -8 -5 9 160.88 7.80 -8 5 9 164.98 7.10 -8 5 9 167.18 7.90 8 5 -9 169.68 7.10 -7 -5 9 330.07 11.30 7 -5 -9 307.47 9.60 -7 -5 9 314.97 10.30 -7 -5 9 296.07 10.50 -7 5 9 302.37 10.40 7 5 -9 308.97 10.20 -7 5 9 336.17 11.40 -6 -5 9 99.09 5.60 -6 -5 9 86.49 4.80 -6 -5 9 88.99 5.00 6 -5 -9 94.39 4.40 -6 -5 9 99.79 4.50 -6 5 9 87.09 5.20 -6 5 9 97.39 5.10 -6 5 9 98.39 5.60 6 5 -9 95.69 5.50 6 5 -9 99.19 5.00 -5 -5 9 0.20 1.50 5 -5 -9 3.90 1.70 5 -5 -9 2.80 1.40 -5 -5 9 3.30 1.60 -5 -5 9 2.30 1.40 5 5 -9 1.50 1.50 -5 5 9 2.10 1.70 -5 5 9 1.90 1.90 5 5 -9 -1.70 1.40 -5 5 9 2.80 1.60 -4 -5 9 35.30 3.50 4 -5 -9 26.70 2.90 -4 -5 9 35.20 3.00 4 -5 -9 29.60 2.60 -4 -5 9 32.70 3.00 -4 5 9 29.60 3.00 -4 5 9 34.50 3.40 -4 5 9 28.60 3.10 4 5 -9 29.50 3.10 -4 5 9 29.10 2.30 4 5 -9 30.90 2.90 -3 -5 9 6.30 1.60 -3 -5 9 2.70 1.70 3 -5 -9 6.30 1.50 -3 -5 9 5.80 1.60 3 -5 -9 8.00 2.00 3 5 -9 7.30 2.10 -3 5 9 4.70 1.80 3 5 -9 4.50 1.40 -3 5 9 3.50 1.80 -3 5 9 4.30 1.60 -3 5 9 5.70 1.50 -2 -5 9 86.79 4.20 -2 -5 9 90.29 4.20 2 -5 -9 87.19 4.60 2 -5 -9 84.29 3.20 2 -5 -9 81.69 4.00 -2 -5 9 82.09 4.60 2 5 -9 90.59 4.30 2 5 -9 83.59 4.50 -2 5 9 89.69 4.10 2 5 -9 82.59 3.70 -2 5 9 86.39 4.70 -2 5 9 80.59 4.80 -2 5 9 83.39 3.90 1 -5 -9 255.77 8.00 -1 -5 9 248.28 7.90 1 -5 -9 250.47 7.40 -1 -5 9 259.37 8.50 1 -5 -9 250.47 8.80 -1 -5 9 264.57 8.10 -1 5 9 259.27 8.90 1 5 -9 257.77 8.60 1 5 -9 264.37 7.30 -1 5 9 238.58 9.00 -1 5 9 264.47 8.20 1 5 -9 256.77 7.80 -1 5 9 255.07 7.70 0 -5 9 72.49 3.60 0 -5 9 79.79 4.10 0 -5 -9 79.49 3.80 0 -5 -9 75.39 3.70 0 -5 -9 72.89 4.30 0 -5 9 80.79 4.20 0 5 9 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6 9 52.69 4.50 -7 6 -9 65.89 6.00 -7 6 -9 55.79 2.60 -7 6 -9 51.79 2.60 -8 -6 -9 203.38 8.80 -8 -6 -9 226.48 10.00 -8 6 -9 193.48 9.70 8 6 9 202.18 8.30 -9 -6 -9 27.10 3.80 -9 -6 -9 17.90 4.00 -9 6 -9 26.30 4.40 9 6 9 31.20 3.80 -10 -6 -9 13.60 3.00 -10 -6 -9 15.10 4.10 -10 6 -9 16.00 4.00 10 6 9 9.60 2.90 -11 -6 -9 -1.50 2.00 -11 -6 -9 -1.70 2.90 -11 6 -9 1.80 2.90 11 6 9 -0.40 2.40 -13 -7 9 2.60 2.80 13 -7 -9 -0.50 1.60 -13 -7 9 -1.00 2.60 13 7 -9 -0.40 2.30 -13 7 9 3.30 1.90 -13 7 9 5.20 3.20 -12 -7 9 15.40 3.70 -12 -7 9 12.00 3.10 -12 -7 9 15.80 3.60 12 -7 -9 10.70 2.30 -12 7 9 15.90 3.70 12 7 -9 8.70 3.00 -12 7 9 13.30 2.60 11 -7 -9 0.30 1.50 -11 -7 9 -2.30 2.00 -11 -7 9 0.40 2.30 -11 -7 9 2.30 2.30 -11 7 9 2.70 1.80 11 7 -9 0.00 2.00 -11 7 9 0.80 2.50 10 -7 -9 3.50 1.60 -10 -7 9 2.20 1.90 -10 -7 9 3.00 2.60 -10 -7 9 -2.60 2.00 -10 7 9 3.60 2.60 10 7 -9 -0.10 2.00 -10 7 9 3.30 1.90 -9 -7 9 58.09 5.60 9 -7 -9 46.20 3.50 -9 -7 9 46.60 4.60 -9 -7 9 48.80 4.40 9 7 -9 46.70 4.50 -9 7 9 41.70 4.80 -9 7 9 43.90 4.10 -8 -7 9 2.00 1.90 -8 -7 9 6.90 2.60 8 -7 -9 2.60 1.50 -8 -7 9 3.70 2.20 8 7 -9 4.30 2.10 -8 7 9 2.50 1.80 -8 7 9 5.70 2.40 -7 -7 9 44.70 4.10 -7 -7 9 40.20 4.00 7 -7 -9 35.50 3.20 -7 -7 9 36.40 4.00 7 7 -9 42.60 4.00 -7 7 9 40.10 4.20 -7 7 9 35.50 3.60 -7 7 9 39.40 4.20 -6 -7 9 574.24 15.30 6 -7 -9 529.45 14.90 -6 -7 9 561.14 15.70 -6 -7 9 544.35 16.50 -6 -7 9 552.64 16.00 -6 7 9 547.95 16.40 -6 7 9 547.95 15.90 6 7 -9 533.35 15.50 -6 7 9 547.75 16.70 6 7 -9 569.74 16.70 -5 -7 9 4.50 1.70 -5 -7 9 4.40 2.10 -5 -7 9 3.80 1.60 5 -7 -9 4.80 1.50 -5 7 9 5.10 1.80 -5 7 9 5.40 2.00 5 7 -9 3.20 1.80 5 7 -9 4.80 1.80 -5 7 9 1.80 1.80 4 -7 -9 34.60 3.60 -4 -7 9 36.90 3.00 -4 -7 9 36.00 3.30 4 -7 -9 29.60 2.80 -4 -7 9 32.30 3.30 -4 7 9 31.20 3.30 4 7 -9 30.60 3.00 -4 7 9 29.30 3.20 -4 7 9 25.90 3.20 4 7 -9 33.30 3.70 3 -7 -9 146.19 6.40 -3 -7 9 146.99 5.80 -3 -7 9 151.98 5.60 -3 -7 9 151.48 6.50 3 -7 -9 147.09 5.80 3 -7 -9 143.19 4.10 3 7 -9 150.68 5.60 3 7 -9 150.68 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8.60 -8 6 10 197.18 8.00 -7 -6 10 85.49 5.20 -7 -6 10 86.09 5.20 7 -6 -10 85.39 4.50 -7 -6 10 89.39 5.90 -7 6 10 82.89 5.20 7 6 -10 80.49 5.00 -7 6 10 89.69 5.70 6 -6 -10 279.77 9.10 -6 -6 10 275.17 10.30 -6 -6 10 272.37 9.10 -6 -6 10 275.07 9.60 -6 -6 10 279.37 9.70 -6 6 10 284.67 10.00 6 6 -10 280.87 10.40 -6 6 10 289.17 10.40 -6 6 10 288.67 10.30 6 6 -10 275.57 9.50 5 -6 -10 103.59 5.00 -5 -6 10 104.99 5.90 -5 -6 10 118.59 5.20 -5 -6 10 108.89 5.40 -5 6 10 112.19 5.80 -5 6 10 119.09 5.90 5 6 -10 120.69 6.20 -5 6 10 108.29 5.70 5 6 -10 102.19 5.20 -4 -6 10 7.60 2.20 -4 -6 10 9.60 2.00 -4 -6 10 10.20 2.00 4 -6 -10 6.40 1.70 4 -6 -10 5.90 2.10 -4 6 10 4.40 2.00 -4 6 10 8.70 2.10 -4 6 10 7.50 2.30 -4 6 10 8.30 1.80 4 6 -10 8.80 2.50 4 6 -10 7.90 1.90 3 -6 -10 2.50 1.40 3 -6 -10 3.10 1.60 -3 -6 10 1.90 1.80 -3 -6 10 1.50 1.50 -3 -6 10 -3.90 1.20 -3 6 10 0.70 1.80 3 6 -10 1.40 1.60 3 6 -10 2.10 1.40 -3 6 10 -0.30 1.40 -3 6 10 1.70 2.00 -3 6 10 2.20 1.40 2 -6 -10 385.16 11.50 -2 -6 10 390.66 12.20 -2 -6 10 389.46 11.50 2 -6 -10 393.36 10.30 2 -6 -10 395.46 12.40 -2 -6 10 391.86 11.30 -2 6 10 408.16 11.50 -2 6 10 391.86 12.50 2 6 -10 385.56 12.20 2 6 -10 393.36 11.50 -2 6 10 391.66 11.40 -2 6 10 402.66 12.50 2 6 -10 400.86 10.90 -1 -6 10 82.79 4.30 -1 -6 10 84.19 4.70 1 -6 -10 82.39 3.60 -1 -6 10 74.19 4.10 1 -6 -10 84.99 4.20 1 -6 -10 81.89 4.90 -1 6 10 71.09 4.80 1 6 -10 76.39 4.10 -1 6 10 79.09 5.40 1 6 -10 80.49 4.60 -1 6 10 82.39 3.90 -1 6 10 81.79 4.50 0 -6 10 281.67 8.90 0 -6 -10 270.77 8.50 0 -6 10 258.17 8.30 0 -6 -10 279.97 8.60 0 -6 -10 246.78 9.30 0 -6 10 281.87 9.20 0 6 10 273.67 8.10 0 6 10 277.07 9.70 0 6 10 263.57 9.00 0 6 -10 270.87 8.10 0 6 -10 279.27 9.10 0 6 -10 261.77 9.10 0 6 10 282.47 10.00 -1 -6 -10 470.05 12.60 -1 -6 -10 443.16 13.00 -1 -6 -10 464.05 14.00 1 -6 10 444.16 12.30 1 6 10 446.26 13.90 -1 6 -10 458.15 13.10 -1 6 -10 440.26 13.00 -1 6 -10 453.95 11.90 1 6 10 464.05 13.40 1 6 10 457.15 12.00 2 -6 10 0.40 1.30 -2 -6 -10 2.70 1.90 -2 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3 -14 52.29 5.10 -10 3 14 52.59 5.80 -10 3 14 62.39 6.10 9 -3 -14 8.60 2.50 -9 -3 14 8.70 3.00 -9 -3 14 4.10 2.90 -9 3 14 4.30 2.70 -9 3 14 3.80 2.40 9 3 -14 8.30 2.70 -8 -3 14 5.40 2.80 -8 -3 14 5.40 2.70 8 -3 -14 4.80 2.30 -8 3 14 6.10 2.80 -8 3 14 8.10 2.90 8 3 -14 4.50 2.40 -7 -3 14 146.79 7.60 7 -3 -14 138.69 6.80 -7 -3 14 146.89 6.40 -7 -3 14 148.69 8.00 7 3 -14 134.99 6.80 -7 3 14 129.49 7.60 -7 3 14 133.49 7.60 6 -3 -14 0.70 1.70 -6 -3 14 1.60 2.30 -6 -3 14 3.80 2.30 -6 3 14 0.30 2.30 -6 3 14 3.50 2.60 6 3 -14 -1.20 1.70 -5 -3 14 452.95 14.90 5 -3 -14 444.76 14.00 -5 -3 14 461.35 15.40 -5 -3 14 473.25 14.00 -5 3 14 492.45 15.60 5 3 -14 473.25 15.40 5 3 -14 474.05 14.20 -5 3 14 469.15 15.40 4 -3 -14 38.40 3.80 -4 -3 14 44.50 4.80 -4 -3 14 41.60 4.50 4 -3 -14 40.10 4.50 -4 -3 14 40.60 4.00 4 3 -14 44.60 3.80 4 3 -14 42.20 4.50 -4 3 14 47.70 4.10 -4 3 14 39.90 4.60 -4 3 14 54.29 5.10 3 -3 -14 14.40 2.50 -3 -3 14 25.20 3.60 -3 -3 14 23.10 3.50 3 -3 -14 21.00 3.30 -3 -3 14 22.30 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105.89 5.60 -1 -5 -14 97.19 6.30 1 -5 14 98.39 6.60 1 -5 14 103.69 5.60 -1 5 -14 97.29 5.90 1 5 14 107.69 6.10 -2 -5 -14 49.00 4.60 -2 -5 -14 44.00 4.80 2 -5 14 38.90 3.60 2 5 14 45.10 4.50 -2 5 -14 48.40 4.40 -3 -5 -14 14.30 3.20 3 -5 14 16.50 2.70 -3 -5 -14 16.70 3.20 3 5 14 17.90 3.30 -3 5 -14 19.10 3.00 -4 -5 -14 -0.10 2.40 4 -5 14 5.00 2.00 -4 -5 -14 3.90 2.30 -4 5 -14 1.30 1.80 4 5 14 5.80 2.70 -5 -5 -14 12.90 3.10 5 -5 14 17.60 2.80 -5 -5 -14 19.50 3.50 -5 5 -14 19.40 2.90 -5 5 -14 20.30 4.10 5 5 14 10.30 3.20 6 -5 14 12.30 2.60 -6 -5 -14 9.30 3.00 -6 -5 -14 8.30 3.30 -6 5 -14 11.10 2.30 6 5 14 12.20 3.10 -6 5 -14 11.40 3.50 -7 -5 -14 49.40 5.30 7 -5 14 36.90 3.60 -7 -5 -14 44.30 5.50 -7 5 -14 39.10 3.60 7 5 14 30.60 4.40 -7 5 -14 42.40 5.60 -8 -5 -14 4.90 2.60 -8 -5 -14 3.30 3.10 8 -5 14 3.90 2.30 -8 5 -14 6.80 1.90 8 5 14 7.40 3.00 -8 5 -14 3.40 2.90 -12 -6 14 29.10 5.00 -12 -6 14 21.50 4.80 12 -6 -14 21.70 3.70 12 6 -14 19.90 4.00 -12 6 14 17.10 3.80 -12 6 14 32.10 5.30 11 -6 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133.19 7.70 4 6 -14 148.29 7.60 -3 -6 14 -0.10 2.10 3 -6 -14 0.90 1.90 -3 -6 14 -1.90 1.80 3 -6 -14 4.20 2.30 3 6 -14 -1.30 1.80 -3 6 14 1.50 2.60 -3 6 14 4.70 2.80 -3 6 14 -0.70 1.60 3 6 -14 1.00 1.90 -2 -6 14 141.09 6.60 2 -6 -14 147.39 6.60 2 -6 -14 138.79 5.60 2 -6 -14 141.69 7.40 -2 -6 14 138.89 6.80 -2 6 14 136.19 6.60 2 6 -14 147.49 7.40 2 6 -14 142.29 6.80 -2 6 14 145.79 7.70 -2 6 14 143.29 5.80 -2 6 14 139.89 7.60 -1 -6 14 1.10 2.00 1 -6 -14 2.80 2.10 -1 -6 14 -0.70 2.10 1 -6 -14 2.10 1.60 -1 6 14 3.10 2.50 1 6 -14 1.10 2.00 -1 6 14 1.50 2.00 -1 6 14 1.10 2.30 0 -6 -14 208.18 7.90 0 -6 14 231.38 9.00 0 -6 14 200.98 8.00 0 -6 -14 205.68 9.10 0 6 14 200.08 9.80 0 6 -14 208.28 8.70 0 6 14 207.38 8.50 1 -6 14 206.78 8.70 1 -6 14 183.08 7.60 -1 -6 -14 203.58 9.00 -1 -6 -14 195.88 8.00 -1 6 -14 196.78 8.40 1 6 14 209.98 8.50 2 -6 14 79.29 4.80 -2 -6 -14 81.09 5.30 -2 -6 -14 80.69 5.90 2 6 14 72.19 5.50 -2 6 -14 74.49 5.10 -3 -6 -14 195.28 8.70 3 -6 14 196.88 7.60 -3 -6 -14 196.68 9.10 3 6 14 195.58 8.70 -3 6 -14 194.98 8.10 -4 -6 -14 32.50 4.40 4 -6 14 36.90 3.50 -4 -6 -14 34.40 4.40 -4 6 -14 29.70 3.50 4 6 14 30.70 4.10 -5 -6 -14 107.79 6.80 -5 -6 -14 102.19 6.80 5 -6 14 107.49 5.40 5 6 14 94.99 6.50 -5 6 -14 96.29 5.40 -6 -6 -14 9.60 3.10 -6 -6 -14 4.80 3.00 6 -6 14 0.80 2.00 -6 6 -14 5.50 3.00 -6 6 -14 7.80 2.10 6 6 14 2.70 2.60 -7 -6 -14 13.00 4.00 -7 -6 -14 20.70 3.90 7 -6 14 13.40 2.60 7 6 14 11.20 3.50 -7 6 -14 15.00 2.40 -7 6 -14 16.80 3.90 -8 -6 -14 34.80 4.80 -8 -6 -14 42.80 6.10 8 -6 14 29.80 3.40 8 6 14 37.30 4.80 -8 6 -14 36.50 3.20 -8 6 -14 35.80 5.70 -12 -7 14 124.09 8.90 12 -7 -14 108.89 6.90 -12 -7 14 120.89 8.30 12 7 -14 120.69 8.00 -12 7 14 109.49 8.30 -12 7 14 137.39 8.00 11 -7 -14 9.10 2.80 -11 -7 14 10.90 3.90 -11 -7 14 16.20 4.00 -11 7 14 8.80 3.10 11 7 -14 10.20 3.20 -11 7 14 10.10 3.40 -10 -7 14 9.60 3.60 -10 -7 14 18.00 3.80 10 -7 -14 11.90 2.90 10 7 -14 16.80 3.70 -10 7 14 14.80 4.00 -10 7 14 22.30 3.80 -9 -7 14 -1.60 2.30 9 -7 -14 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2.80 2.30 -8 -11 15 -0.30 2.60 -8 11 15 -1.10 2.50 -8 11 15 -0.30 2.50 8 11 -15 -3.30 3.00 7 -11 -15 35.60 4.30 -7 -11 15 27.60 4.30 -7 11 15 31.80 4.80 7 11 -15 37.70 5.20 -7 11 15 33.10 4.70 -7 11 15 35.50 4.90 6 -11 -15 1.60 2.30 6 11 -15 -2.50 2.70 -6 11 15 2.50 2.70 -6 11 15 -2.00 2.70 -6 11 15 2.20 2.70 -5 -11 15 58.49 5.20 5 -11 -15 53.39 4.90 -5 11 15 52.59 5.90 5 11 -15 44.70 5.40 -5 11 15 55.19 6.10 5 11 -15 45.50 5.10 -5 11 15 50.59 5.20 -4 -11 15 66.99 5.30 4 -11 -15 60.49 5.30 -4 11 15 70.19 5.60 -4 11 15 69.69 6.70 4 11 -15 62.29 6.00 4 11 -15 72.49 5.90 -4 11 15 82.79 6.70 3 -11 -15 7.00 2.60 -3 -11 15 7.00 2.60 3 11 -15 8.20 3.10 -3 11 15 1.70 2.90 -3 11 15 7.00 3.30 -3 11 15 8.10 2.60 -2 -11 15 -0.70 2.10 -2 11 15 0.10 2.80 -2 11 15 3.00 3.00 2 11 -15 -0.10 2.40 -1 -11 15 -3.50 1.80 1 11 -15 4.00 2.60 -1 11 15 1.20 3.00 0 -11 15 230.48 9.20 0 11 -15 239.28 10.10 0 11 15 233.38 11.20 -1 -11 -15 16.50 3.70 -1 -11 -15 12.40 2.90 1 -11 15 15.00 2.90 1 11 15 13.30 4.30 1 11 15 19.60 3.90 -1 11 -15 23.50 3.70 -2 -11 -15 11.40 3.30 -2 -11 -15 11.20 2.90 2 -11 15 11.80 2.70 2 11 15 10.20 3.40 -2 11 -15 6.70 2.70 -3 -11 -15 0.70 2.20 3 -11 15 -1.20 1.90 -3 -11 -15 3.10 2.90 3 11 15 -0.70 2.70 -3 11 -15 1.80 2.20 -4 -11 -15 16.30 3.80 -4 -11 -15 17.40 4.20 4 -11 15 17.30 2.90 4 11 15 12.00 3.80 -4 11 -15 13.50 2.80 -5 -11 -15 8.20 3.20 -5 -11 -15 0.20 2.80 5 -11 15 6.10 2.40 5 11 15 -2.30 3.00 -5 11 -15 1.70 1.80 -6 -11 -15 77.09 7.30 -6 -11 -15 93.59 8.20 6 -11 15 102.89 5.70 6 11 15 85.19 7.40 -6 11 -15 86.49 4.90 -10 12 15 7.80 3.60 9 -12 -15 2.20 2.40 -9 -12 15 -0.40 2.60 9 12 -15 7.50 4.10 -9 12 15 4.30 3.20 -9 12 15 4.80 2.90 8 -12 -15 67.19 5.90 -8 -12 15 65.49 6.40 8 12 -15 64.99 7.00 -8 12 15 79.29 7.10 -8 12 15 56.59 6.20 -8 12 15 56.59 6.20 -7 -12 15 1.60 2.70 7 -12 -15 0.90 2.30 7 12 -15 3.70 3.30 -7 12 15 5.90 3.30 -7 12 15 2.10 2.90 -7 12 15 -0.30 2.80 6 -12 -15 6.00 2.70 -6 12 15 14.00 3.80 6 12 -15 11.50 3.80 -6 12 15 9.10 3.50 -6 12 15 4.70 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3.50 3.30 2 13 -15 11.10 3.40 -1 -13 15 2.70 2.40 1 13 -15 2.60 2.60 -1 13 15 5.80 3.50 0 -13 15 6.00 2.60 0 13 15 2.70 3.30 0 13 -15 6.50 2.80 1 -13 15 11.70 2.80 1 13 15 4.80 3.90 -1 13 -15 15.40 3.30 2 -13 15 20.60 3.30 -2 13 -15 16.50 3.30 2 13 15 13.60 4.30 -3 -13 -15 5.90 2.70 -3 -13 -15 2.30 3.40 3 -13 15 4.60 2.50 -3 13 -15 2.90 2.30 -4 -13 -15 2.10 3.20 4 -13 15 -2.00 2.00 -4 -13 -15 -1.50 2.50 4 13 15 -3.30 2.90 -4 13 -15 -2.00 1.70 -5 -13 -15 -1.40 2.80 5 -13 15 -0.70 2.10 -5 -13 -15 1.20 2.80 5 13 15 -1.40 3.00 -5 13 -15 2.10 2.00 -8 -14 15 5.90 3.30 8 -14 -15 10.50 3.10 -8 14 15 9.70 3.80 8 14 -15 6.90 4.00 -8 14 15 9.70 3.70 -8 14 15 16.70 4.40 -7 -14 15 -0.50 2.60 7 -14 -15 0.70 2.30 7 14 -15 3.50 3.70 -7 14 15 -1.90 2.50 -7 14 15 -0.40 2.90 -7 14 15 2.30 3.00 6 -14 -15 47.50 5.00 -6 14 15 51.29 6.00 6 14 -15 49.10 6.10 -6 14 15 53.39 6.00 -6 14 15 52.79 6.00 -5 -14 15 10.60 2.90 5 -14 -15 7.50 2.80 5 14 -15 2.50 3.30 -5 14 15 9.00 3.60 -5 14 15 6.10 3.20 -5 14 15 9.10 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44.40 6.00 0 1 -20 55.89 6.30 0 1 20 40.70 4.80 1 -1 20 17.40 3.70 -1 -1 -20 7.60 3.30 1 -1 20 7.50 4.30 -1 1 -20 9.90 3.50 1 1 20 12.00 3.40 1 1 20 9.20 4.40 2 -1 20 77.59 6.60 -2 -1 -20 97.69 7.40 2 -1 20 72.59 7.80 2 1 20 62.39 7.20 2 1 20 84.89 6.70 -2 1 -20 66.59 6.50 3 -1 20 72.99 7.90 3 -1 20 73.09 6.50 -3 -1 -20 76.39 7.20 -3 1 -20 68.59 6.70 3 1 20 62.89 6.20 3 1 20 79.29 8.30 -8 -2 20 0.60 2.90 -8 2 20 1.60 3.20 -7 -2 20 2.10 2.90 -7 2 20 5.60 3.50 -6 -2 20 0.90 2.70 -6 2 20 1.10 3.10 -5 -2 20 3.70 3.30 -5 2 20 4.30 3.50 -4 -2 20 112.49 7.90 -4 2 20 70.89 6.90 -3 -2 20 20.40 3.80 -3 -2 20 24.00 4.70 3 2 -20 26.50 4.80 -3 2 20 18.90 4.60 -2 -2 20 0.80 3.30 2 -2 -20 4.30 3.00 -2 -2 20 3.70 2.70 -2 2 20 8.10 4.00 2 2 -20 1.80 2.70 -2 2 20 3.00 3.80 1 -2 -20 10.60 3.80 -1 -2 20 10.20 4.30 -1 -2 20 15.00 3.60 1 2 -20 12.30 3.60 -1 2 20 18.10 3.70 -1 2 20 14.10 4.60 0 -2 -20 7.60 3.60 0 -2 20 4.60 2.90 0 -2 20 10.20 3.90 0 2 20 -1.10 3.90 0 2 20 6.20 3.10 0 2 -20 5.60 2.90 -1 -2 -20 0.00 2.60 1 -2 20 -0.10 3.50 1 -2 20 4.00 2.80 1 2 20 -0.30 2.60 -1 2 -20 -0.20 2.40 1 2 20 -9.90 3.40 2 -2 20 2.90 2.90 -2 -2 -20 1.10 2.80 2 -2 20 -5.00 3.80 -2 2 -20 2.80 2.90 2 2 20 0.70 3.00 2 2 20 2.90 4.20 -3 -2 -20 9.60 3.60 3 -2 20 2.30 4.20 -3 -2 -20 5.60 3.20 3 -2 20 15.90 3.60 -3 2 -20 7.90 3.10 3 2 20 2.70 4.40 3 2 20 11.70 3.70 -8 -3 20 82.19 7.70 -8 3 20 75.19 7.70 -7 -3 20 1.60 3.10 -7 3 20 1.50 3.20 -6 -3 20 1.30 2.90 -6 3 20 0.90 3.20 -5 -3 20 14.80 4.00 -5 3 20 9.50 4.00 -4 -3 20 -2.20 3.00 -4 3 20 2.70 3.30 -3 -3 20 209.38 9.60 -3 -3 20 185.18 10.00 -3 3 20 193.58 10.70 3 3 -20 210.58 10.80 -2 -3 20 -0.70 3.10 -2 -3 20 1.40 2.50 2 3 -20 -0.10 2.50 -2 3 20 -0.70 3.20 -1 -3 20 15.10 4.40 -1 -3 20 16.00 3.70 1 -3 -20 15.60 4.10 1 3 -20 25.50 4.60 -1 3 20 10.90 4.30 -1 3 20 18.50 3.80 0 -3 -20 11.30 3.60 0 -3 20 31.00 4.40 0 -3 20 14.70 4.50 0 3 20 19.00 4.90 0 3 20 22.70 4.00 0 3 -20 27.90 4.70 1 -3 20 12.10 3.40 -1 -3 -20 17.60 4.30 1 -3 20 15.90 4.50 1 3 20 10.60 3.50 -1 3 -20 15.60 3.70 1 3 20 8.20 4.60 -2 -3 -20 0.70 2.80 2 -3 20 5.60 2.90 -2 -3 -20 2.80 3.00 2 -3 20 5.70 4.10 2 3 20 6.80 4.60 2 3 20 3.90 3.20 -2 3 -20 5.90 3.00 3 -3 20 19.30 5.20 3 -3 20 29.30 4.50 -3 -3 -20 22.00 4.40 -3 -3 -20 20.50 4.40 3 3 20 19.00 5.40 -3 3 -20 26.40 4.30 3 3 20 22.70 4.20 -8 -4 20 6.00 3.40 -8 4 20 4.70 3.40 -7 -4 20 31.20 5.10 -7 4 20 28.80 5.30 -6 -4 20 0.10 2.90 -6 4 20 0.50 3.20 -5 -4 20 30.10 4.90 -5 4 20 39.30 5.50 -4 -4 20 12.80 3.90 -4 4 20 16.40 4.40 -3 -4 20 13.30 4.10 -3 -4 20 18.90 3.80 3 4 -20 21.00 4.50 -3 4 20 26.70 5.20 -2 -4 20 14.80 3.40 -2 -4 20 16.60 4.20 -2 4 20 18.50 4.80 2 4 -20 13.50 4.00 1 -4 -20 8.10 3.50 -1 -4 20 2.10 3.40 -1 -4 20 9.10 3.20 1 4 -20 8.20 3.30 -1 4 20 3.60 3.70 -1 4 20 10.30 3.80 0 -4 -20 20.10 4.40 0 -4 20 13.40 3.50 0 -4 20 29.60 5.30 0 4 20 11.40 4.20 0 4 -20 19.60 3.80 0 4 20 16.90 3.80 1 -4 20 20.70 4.80 1 -4 20 23.40 4.00 -1 -4 -20 20.40 4.30 -1 4 -20 28.40 4.60 1 4 20 25.10 5.60 1 4 20 27.10 4.50 2 -4 20 25.10 5.40 -2 -4 -20 25.50 4.40 2 -4 20 23.90 4.00 -2 -4 -20 24.80 4.80 2 4 20 24.80 4.40 2 4 20 10.90 4.90 -2 4 -20 29.80 4.50 -8 -5 20 69.29 7.00 -8 5 20 53.09 8.10 -8 5 20 58.29 6.80 -7 -5 20 -3.60 2.70 -7 5 20 0.40 2.90 -6 -5 20 117.29 7.90 -6 5 20 107.79 8.40 -5 -5 20 117.09 7.80 -5 5 20 102.89 9.00 -4 -5 20 30.00 5.00 4 5 -20 24.20 5.50 -4 5 20 31.80 5.20 -3 -5 20 25.50 4.60 -3 -5 20 24.40 4.10 -3 5 20 22.60 4.90 3 5 -20 27.60 4.70 -2 -5 20 11.30 3.10 -2 -5 20 8.70 3.60 -2 5 20 11.60 4.40 2 5 -20 6.10 3.20 -1 -5 20 2.60 3.40 -1 -5 20 9.10 3.10 1 5 -20 11.30 3.40 -1 5 20 11.10 4.00 0 -5 20 24.40 4.90 0 -5 -20 26.90 4.80 0 -5 20 16.70 3.60 0 5 20 22.20 4.00 0 5 -20 9.50 3.40 0 5 20 14.20 4.50 1 -5 20 -0.80 3.60 1 -5 20 2.50 2.70 -1 -5 -20 -2.50 2.70 1 5 20 1.70 4.10 -1 5 -20 -0.20 2.60 1 5 20 4.30 3.30 -2 -5 -20 -2.40 2.70 -2 -5 -20 2.00 2.80 2 -5 20 -2.00 2.40 2 -5 20 -4.70 3.80 2 5 20 -1.30 3.90 -2 5 -20 -0.70 2.40 2 5 20 -0.50 3.00 -8 -6 20 25.40 4.60 -8 6 20 23.70 5.20 -7 -6 20 1.00 2.90 -7 6 20 -1.00 3.00 -6 -6 20 93.99 7.20 -6 6 20 86.69 8.30 -5 -6 20 5.90 3.20 -5 6 20 5.30 3.50 -4 -6 20 6.80 3.50 4 6 -20 8.00 3.60 -4 6 20 5.20 3.60 -3 -6 20 4.70 3.30 -3 -6 20 6.30 3.00 -3 6 20 -1.50 3.20 3 6 -20 8.40 3.30 -2 -6 20 -1.50 2.40 -2 -6 20 -2.60 2.80 -2 6 20 3.70 3.80 2 6 -20 1.00 2.80 -1 -6 20 -2.70 2.90 -1 -6 20 2.70 2.60 1 6 -20 4.30 3.10 -1 6 20 -0.90 3.60 0 -6 20 149.99 8.40 0 -6 20 133.99 8.90 0 -6 -20 133.29 9.00 0 6 20 142.79 10.00 0 6 -20 155.28 9.00 1 -6 20 65.89 6.70 1 -6 20 71.59 6.20 -1 -6 -20 64.39 7.10 -1 6 -20 62.49 6.30 1 6 20 63.59 6.10 1 6 20 44.10 6.30 -2 -6 -20 3.50 3.10 -2 -6 -20 -0.40 2.70 2 -6 20 4.50 3.00 2 -6 20 -0.10 3.80 -2 6 -20 3.90 2.80 2 6 20 3.50 3.10 2 6 20 -5.00 3.90 -7 -7 20 75.59 6.80 -7 7 20 60.09 7.30 -6 -7 20 6.10 3.20 -6 7 20 9.50 3.90 -5 -7 20 25.80 4.40 -5 7 20 16.70 4.40 -4 -7 20 6.30 3.30 -4 -7 20 4.60 3.90 4 7 -20 4.10 3.50 -4 7 20 4.70 3.40 -3 -7 20 0.40 2.60 -3 -7 20 3.80 3.10 -3 7 20 -3.90 3.10 3 7 -20 2.80 3.20 -2 -7 20 49.00 5.20 -2 -7 20 40.40 5.20 2 7 -20 52.09 6.00 -2 7 20 41.80 6.30 -1 -7 20 0.20 3.10 -1 -7 20 -7.00 1.80 -1 7 20 -0.50 3.70 1 7 -20 -0.80 2.60 0 -7 20 4.70 2.80 0 -7 20 -0.90 4.20 0 7 20 -0.20 3.90 0 7 -20 -1.40 2.50 1 -7 20 43.30 5.10 -1 -7 -20 55.09 6.60 1 7 20 40.40 6.70 1 7 20 56.89 6.20 -1 7 -20 50.99 5.80 -7 -8 20 2.10 3.70 -7 8 20 -3.10 2.70 -6 8 20 4.30 3.70 -5 8 20 2.00 3.40 -4 -8 20 35.00 5.00 -4 8 20 19.70 4.70 4 8 -20 37.70 5.70 -3 -8 20 54.39 5.60 3 8 -20 68.19 6.90 -3 8 20 58.09 7.30 -2 -8 20 8.60 3.20 -2 8 20 6.10 4.00 2 8 -20 7.90 3.40 -1 -8 20 7.80 3.10 1 8 -20 3.70 3.30 -1 8 20 2.90 3.80 0 -8 20 6.80 3.10 0 8 -20 5.80 3.20 0 8 20 -1.40 3.50 1 -8 20 1.80 2.80 1 8 20 0.30 4.00 -1 8 -20 -3.10 2.40 -6 9 20 18.60 4.90 -5 9 20 29.20 5.40 -4 -9 20 8.10 3.30 4 9 -20 10.10 3.90 -4 9 20 8.60 4.10 -3 -9 20 5.80 3.10 3 9 -20 -0.30 2.90 -3 9 20 -7.00 2.60 -2 -9 20 8.00 3.10 -2 9 20 -1.40 3.60 2 9 -20 6.60 3.50 -1 -9 20 16.50 3.70 1 9 -20 16.10 3.90 -1 9 20 12.90 4.80 0 -9 20 6.60 3.00 0 9 20 1.60 3.40 0 9 -20 4.60 3.10 -5 10 20 -0.60 2.90 -4 -10 20 62.49 6.00 -4 10 20 59.59 7.00 4 10 -20 75.09 7.50 -3 -10 20 35.80 5.00 -3 10 20 19.70 5.00 3 10 -20 21.10 4.80 -2 -10 20 6.60 3.20 2 10 -20 11.80 3.90 -2 10 20 6.30 4.10 -1 -10 20 5.70 3.00 1 10 -20 1.60 3.00 -1 10 20 1.70 4.00 -3 11 20 0.20 3.70 -7 0 21 21.70 4.90 -6 0 21 0.40 3.30 -5 0 21 15.40 4.30 -4 0 21 -2.40 2.80 -3 0 21 25.60 4.90 2 0 -21 0.40 2.90 -2 0 21 1.30 2.70 -2 0 21 -3.60 3.00 -1 0 21 9.20 3.30 1 0 -21 8.00 3.50 -1 0 21 11.20 4.50 0 0 21 -4.50 3.60 0 0 -21 4.40 3.10 0 0 21 -2.50 2.50 -1 0 -21 2.00 3.00 1 0 21 2.30 2.90 1 0 21 1.20 3.80 -7 -1 21 7.80 3.70 -7 1 21 9.60 4.00 -6 -1 21 28.30 4.90 -6 1 21 29.30 5.10 -5 -1 21 3.40 3.50 -5 1 21 6.00 3.50 -4 -1 21 19.70 4.60 -4 1 21 26.50 5.00 -3 -1 21 1.40 3.40 -3 1 21 1.20 3.30 2 -1 -21 -0.10 3.10 -2 -1 21 -2.00 2.40 -2 -1 21 -5.50 3.20 2 1 -21 -0.60 2.70 -2 1 21 -0.30 3.40 -1 -1 21 1.00 3.50 1 -1 -21 0.80 2.90 -1 -1 21 3.70 2.90 -1 1 21 -1.50 3.50 1 1 -21 0.90 2.60 -1 1 21 2.50 2.70 0 -1 21 22.00 4.10 0 -1 -21 19.80 4.40 0 -1 21 18.20 5.00 0 1 21 15.20 3.60 0 1 -21 17.80 4.00 0 1 21 7.60 4.30 1 -1 21 32.10 4.70 1 -1 21 30.80 5.80 -1 -1 -21 44.70 5.90 1 1 21 37.70 6.30 1 1 21 40.50 5.20 -1 1 -21 42.10 5.60 -7 -2 21 31.20 5.10 -7 2 21 30.50 5.40 -6 -2 21 1.00 3.30 -6 2 21 -4.20 2.60 -5 -2 21 11.10 4.00 -5 2 21 6.60 3.70 -4 -2 21 0.40 3.10 -4 2 21 -1.30 3.10 -3 -2 21 -5.10 2.90 3 2 -21 1.60 3.10 -3 2 21 0.20 3.40 -2 -2 21 5.40 2.90 -2 -2 21 -2.00 3.10 2 2 -21 5.50 3.20 -2 2 21 5.70 4.00 1 -2 -21 28.10 5.00 -1 -2 21 34.60 4.90 -1 -2 21 30.20 5.30 -1 2 21 28.80 5.30 -1 2 21 28.80 4.50 1 2 -21 32.70 5.00 0 -2 21 -1.50 3.60 0 -2 -21 0.50 3.00 0 -2 21 2.80 3.00 0 2 -21 4.50 3.10 0 2 21 2.20 3.00 0 2 21 3.20 3.90 -1 -2 -21 99.69 8.70 1 -2 21 75.79 7.70 1 -2 21 75.09 6.60 1 2 21 73.89 7.80 -1 2 -21 101.29 7.50 1 2 21 74.49 6.60 -7 -3 21 7.30 3.70 -7 3 21 0.70 3.30 -6 -3 21 2.60 3.40 -6 3 21 3.00 3.50 -5 -3 21 50.59 6.20 -5 3 21 48.70 6.10 -4 -3 21 -1.50 2.90 -4 3 21 -1.80 2.90 -3 -3 21 21.70 4.60 3 3 -21 16.80 4.10 -3 3 21 9.60 4.20 -2 -3 21 17.80 4.80 -2 -3 21 13.70 3.50 2 3 -21 23.40 4.50 -2 3 21 9.80 4.40 -1 -3 21 39.20 5.80 1 -3 -21 38.40 5.60 -1 -3 21 29.90 4.50 1 3 -21 46.00 6.00 -1 3 21 43.10 6.40 0 -3 21 -5.00 3.30 0 -3 21 8.30 3.20 0 -3 -21 1.70 2.90 0 3 21 -3.80 2.50 0 3 21 -3.90 3.60 0 3 -21 -3.30 2.50 1 -3 21 11.80 3.70 -1 -3 -21 5.30 3.40 1 -3 21 2.30 4.00 1 3 21 9.20 3.60 1 3 21 9.60 4.80 -1 3 -21 6.30 3.60 -7 -4 21 -2.00 2.70 -7 4 21 4.10 3.80 -6 -4 21 13.70 4.10 -6 4 21 11.90 4.40 -5 -4 21 45.50 5.70 -5 4 21 47.10 6.40 -4 -4 21 2.00 3.30 -4 4 21 -0.80 3.30 -3 -4 21 39.10 5.60 -3 -4 21 32.90 4.60 -3 4 21 36.20 5.90 3 4 -21 37.60 5.40 -2 -4 21 -0.90 3.10 -2 -4 21 3.80 2.80 -2 4 21 -0.70 3.50 2 4 -21 3.60 3.10 -1 -4 21 -1.70 3.40 -1 -4 21 6.20 3.00 1 4 -21 7.00 3.30 -1 4 21 -1.80 3.60 0 -4 -21 4.10 3.30 0 -4 21 -1.00 3.70 0 -4 21 7.70 3.20 0 4 -21 9.70 3.40 0 4 21 -4.70 3.70 0 4 21 4.60 3.20 -1 -4 -21 24.80 4.90 1 -4 21 24.30 4.20 1 -4 21 27.30 5.50 1 4 21 35.70 6.20 -1 4 -21 35.40 5.10 1 4 21 27.20 4.50 -6 -5 21 -1.70 2.60 -6 5 21 -0.90 3.10 -5 -5 21 -1.40 2.80 -5 5 21 1.40 3.30 -4 -5 21 18.00 4.40 -4 5 21 16.00 4.30 -3 -5 21 6.30 3.60 -3 -5 21 1.20 2.80 3 5 -21 2.70 3.10 -3 5 21 -0.80 3.50 -2 -5 21 -0.40 3.30 -2 -5 21 3.70 2.90 -2 5 21 -0.80 3.50 2 5 -21 1.40 2.80 -1 -5 21 12.30 3.60 -1 -5 21 6.70 4.10 -1 5 21 6.20 4.30 1 5 -21 5.60 3.20 0 -5 -21 9.30 3.70 0 -5 21 9.80 3.40 0 -5 21 11.80 4.40 0 5 21 8.70 4.80 0 5 -21 8.40 3.50 -6 -6 21 3.70 3.20 -6 6 21 2.30 3.60 -5 -6 21 18.50 4.20 -5 6 21 18.40 4.70 -4 -6 21 65.59 6.60 -4 6 21 55.09 6.40 -3 -6 21 0.30 2.70 -3 -6 21 -4.70 2.90 3 6 -21 -0.80 2.50 -3 6 21 11.30 4.40 -2 -6 21 1.10 2.50 -2 -6 21 -6.50 2.70 2 6 -21 7.00 3.40 -2 6 21 -1.60 3.40 -1 -6 21 25.70 4.90 -1 -6 21 22.40 4.00 1 6 -21 13.40 4.00 -1 6 21 15.30 4.90 0 -6 21 12.10 3.40 0 -6 21 5.50 4.10 0 6 -21 10.10 3.60 0 6 21 14.80 4.90 -5 -7 21 159.18 9.30 -5 7 21 191.88 11.20 -4 -7 21 27.40 4.80 -4 7 21 19.10 4.50 -3 -7 21 0.90 2.70 -3 -7 21 -3.70 4.10 -3 7 21 0.50 4.00 3 7 -21 -2.30 2.70 -2 -7 21 26.90 4.50 2 7 -21 20.80 4.30 -2 7 21 18.00 5.20 -1 -7 21 0.40 2.70 -1 7 21 4.50 4.40 1 7 -21 3.10 2.90 -4 8 21 -1.90 3.40 4 8 -21 1.40 3.60 -3 -8 21 59.09 6.00 -3 8 21 37.60 6.30 3 8 -21 55.19 6.70 -2 -8 21 13.90 3.70 2 8 -21 5.40 3.60 -2 8 21 1.00 4.00 -5 0 22 2.00 3.40 -4 0 22 5.90 3.70 -3 0 22 -4.40 3.20 2 0 -22 62.19 11.20 -2 0 22 45.30 6.20 -1 0 22 5.70 3.30 1 0 -22 0.40 2.90 -5 -1 22 -1.70 3.30 -5 1 22 -2.20 3.20 -4 -1 22 3.30 3.60 -4 1 22 -3.30 2.90 -3 -1 22 -5.50 3.00 -3 1 22 2.60 3.60 -2 -1 22 -2.90 3.40 -2 1 22 2.30 3.90 2 1 -22 1.40 3.00 -1 -1 22 -3.00 3.90 -5 -2 22 1.40 3.60 -5 2 22 -2.30 3.20 -4 -2 22 23.10 4.90 -4 2 22 24.80 5.10 -3 -2 22 1.70 3.40 -3 2 22 2.90 3.80 -2 -2 22 30.20 5.50 -2 -2 22 26.60 4.60 2 2 -22 17.90 4.40 -2 2 22 15.60 5.00 -4 -3 22 -0.40 3.30 -4 3 22 0.60 3.40 -3 -3 22 25.00 4.90 -3 3 22 22.80 5.20 -2 -3 22 4.50 4.10 -2 -3 22 9.50 3.40 2 3 -22 1.90 3.40 -2 3 22 8.00 4.60 -3 -4 22 12.30 4.10 -3 4 22 21.60 5.20 0 0 0 0.00 0.00 _computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)' ; _shelx_hkl_checksum 54429 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 N1 N 0.01206(14) 0.49092(8) 0.29569(9) 0.0235(3) Uani 1 1 d . . . . . C1 C -0.10380(16) 0.32526(9) 0.48814(12) 0.0237(4) Uani 1 1 d . . . . . H1 H -0.138428 0.284754 0.468021 0.028 Uiso 1 1 calc R U . . . C2 C -0.09544(16) 0.37638(9) 0.44025(11) 0.0217(4) Uani 1 1 d . . . . . H2 H -0.121857 0.370479 0.387028 0.026 Uiso 1 1 calc R U . . . C3 C -0.04733(14) 0.43887(8) 0.46912(10) 0.0177(4) Uani 1 1 d . . . . . C4 C -0.03202(14) 0.49123(9) 0.42016(10) 0.0178(4) Uani 1 1 d . . . . . C5 C 0.01242(14) 0.55288(9) 0.45006(10) 0.0178(4) Uani 1 1 d . . . . . C6 C 0.01835(16) 0.60895(9) 0.40261(11) 0.0215(4) Uani 1 1 d . . . . . H6 H -0.008306 0.604846 0.349187 0.026 Uiso 1 1 calc R U . . . C7 C 0.06142(16) 0.66803(9) 0.43254(12) 0.0242(4) Uani 1 1 d . . . . . H7 H 0.063022 0.704837 0.400097 0.029 Uiso 1 1 calc R U . . . N2 N 0.04162(12) 0.15461(7) 0.47707(8) 0.0172(3) Uani 1 1 d . . . . . N3 N 0.40850(12) 0.66970(7) 0.47182(9) 0.0180(3) Uani 1 1 d . . . . . C8 C -0.06187(16) 0.47953(8) 0.33712(11) 0.0199(4) Uani 1 1 d . . . . . H8 H -0.137792 0.463166 0.314153 0.024 Uiso 1 1 calc R U . . . C9 C -0.02338(17) 0.47849(9) 0.21628(11) 0.0241(4) Uani 1 1 d . . . . . C10 C -0.13291(17) 0.49765(10) 0.17353(12) 0.0261(4) Uani 1 1 d . . . . . H10 H -0.187448 0.519644 0.197285 0.031 Uiso 1 1 calc R U . . . C11 C -0.16221(19) 0.48456(10) 0.09615(12) 0.0320(5) Uani 1 1 d . . . . . H11 H -0.237254 0.497322 0.067290 0.038 Uiso 1 1 calc R U . . . C12 C -0.0834(2) 0.45320(11) 0.06072(13) 0.0360(5) Uani 1 1 d . . . . . H12 H -0.104476 0.443881 0.007899 0.043 Uiso 1 1 calc R U . . . C13 C 0.0267(2) 0.43539(11) 0.10270(13) 0.0361(5) Uani 1 1 d . . . . . H13 H 0.081599 0.414431 0.078363 0.043 Uiso 1 1 calc R U . . . C14 C 0.05703(18) 0.44800(10) 0.17999(12) 0.0305(5) Uani 1 1 d . . . . . H14 H 0.132750 0.435875 0.208372 0.037 Uiso 1 1 calc R U . . . C15 C 0.02974(15) 0.18897(9) 0.41170(10) 0.0187(4) Uani 1 1 d . . . . . H15 H -0.022416 0.173326 0.367151 0.022 Uiso 1 1 calc R U . . . C16 C 0.09189(15) 0.24611(9) 0.40871(10) 0.0185(4) Uani 1 1 d . . . . . H16 H 0.083070 0.269383 0.362080 0.022 Uiso 1 1 calc R U . . . C17 C 0.16842(14) 0.27046(8) 0.47400(10) 0.0160(3) Uani 1 1 d . . . . . C18 C 0.18527(16) 0.23064(9) 0.53877(10) 0.0206(4) Uani 1 1 d . . . . . H18 H 0.242082 0.243029 0.582792 0.025 Uiso 1 1 calc R U . . . C19 C 0.12086(16) 0.17382(9) 0.53972(10) 0.0206(4) Uani 1 1 d . . . . . H19 H 0.132119 0.147925 0.584635 0.025 Uiso 1 1 calc R U . . . C20 C 0.22045(14) 0.33734(8) 0.47477(10) 0.0158(3) Uani 1 1 d . . . . . C21 C 0.22446(15) 0.37013(9) 0.40717(10) 0.0184(4) Uani 1 1 d . . . . . H21 H 0.201152 0.347653 0.360073 0.022 Uiso 1 1 calc R U . . . C22 C 0.26209(15) 0.43500(9) 0.40834(10) 0.0193(4) Uani 1 1 d . . . . . H22 H 0.263452 0.456687 0.361838 0.023 Uiso 1 1 calc R U . . . C23 C 0.29816(14) 0.46927(8) 0.47675(10) 0.0163(3) Uani 1 1 d . . . . . C24 C 0.29684(16) 0.43614(9) 0.54454(10) 0.0198(4) Uani 1 1 d . . . . . H24 H 0.322205 0.458215 0.591733 0.024 Uiso 1 1 calc R U . . . C25 C 0.25861(16) 0.37112(9) 0.54313(10) 0.0202(4) Uani 1 1 d . . . . . H25 H 0.258403 0.349149 0.589633 0.024 Uiso 1 1 calc R U . . . C26 C 0.33558(14) 0.53941(8) 0.47634(10) 0.0165(4) Uani 1 1 d . . . . . C27 C 0.29801(15) 0.57865(9) 0.41164(10) 0.0191(4) Uani 1 1 d . . . . . H27 H 0.246379 0.560642 0.368240 0.023 Uiso 1 1 calc R U . . . C28 C 0.33526(16) 0.64290(9) 0.41050(10) 0.0206(4) Uani 1 1 d . . . . . H28 H 0.309378 0.668895 0.366174 0.025 Uiso 1 1 calc R U . . . C29 C 0.44403(15) 0.63396(9) 0.53568(11) 0.0205(4) Uani 1 1 d . . . . . H29 H 0.493839 0.653560 0.578802 0.025 Uiso 1 1 calc R U . . . C30 C 0.40879(16) 0.56927(9) 0.53901(11) 0.0207(4) Uani 1 1 d . . . . . H30 H 0.434557 0.544682 0.584428 0.025 Uiso 1 1 calc R U . . . C31 C 0.44405(16) 0.74082(8) 0.46905(11) 0.0208(4) Uani 1 1 d . . . . . H31A H 0.462825 0.750397 0.419185 0.025 Uiso 1 1 calc R U . . . H31B H 0.515606 0.749224 0.508961 0.025 Uiso 1 1 calc R U . . . C32 C 0.34576(15) 0.78579(8) 0.48103(10) 0.0183(4) Uani 1 1 d . . . . . C33 C 0.25835(16) 0.80597(9) 0.41941(10) 0.0202(4) Uani 1 1 d . . . . . H33 H 0.263477 0.794042 0.369306 0.024 Uiso 1 1 calc R U . . . C34 C 0.16371(16) 0.84352(8) 0.43110(10) 0.0193(4) Uani 1 1 d . . . . . H34 H 0.103457 0.856166 0.389010 0.023 Uiso 1 1 calc R U . . . C35 C 0.15674(15) 0.86265(8) 0.50404(10) 0.0173(4) Uani 1 1 d . . . . . C36 C 0.24621(16) 0.84454(9) 0.56528(10) 0.0196(4) Uani 1 1 d . . . . . H36 H 0.243338 0.858637 0.615064 0.024 Uiso 1 1 calc R U . . . C37 C 0.33971(16) 0.80594(9) 0.55392(10) 0.0200(4) Uani 1 1 d . . . . . H37 H 0.399796 0.793233 0.596080 0.024 Uiso 1 1 calc R U . . . C38 C 0.04742(15) 0.89755(8) 0.51736(10) 0.0188(4) Uani 1 1 d . . . . . H38A H 0.066568 0.923603 0.564893 0.023 Uiso 1 1 calc R U . . . H38B H 0.016045 0.927930 0.474759 0.023 Uiso 1 1 calc R U . . . S1 S 0.56799(4) 0.48631(2) 0.21558(2) 0.01770(11) Uani 1 1 d . . . . . F1 F 0.40453(12) 0.41073(6) 0.25125(8) 0.0440(3) Uani 1 1 d . . . . . F2 F 0.40106(11) 0.51241(6) 0.28672(7) 0.0362(3) Uani 1 1 d . . . . . F3 F 0.33881(10) 0.48560(7) 0.16843(8) 0.0426(3) Uani 1 1 d . . . . . O1 O 0.64156(12) 0.46952(8) 0.28788(8) 0.0317(3) Uani 1 1 d . . . . . O2 O 0.57482(11) 0.44215(7) 0.15412(7) 0.0250(3) Uani 1 1 d . . . . . O3 O 0.56675(13) 0.55552(7) 0.19609(8) 0.0303(3) Uani 1 1 d . . . . . C39 C 0.42017(17) 0.47292(10) 0.23077(12) 0.0265(4) Uani 1 1 d . . . . . S2 S 0.33802(4) 0.22719(2) 0.29046(3) 0.02143(11) Uani 1 1 d . . . . . F4 F 0.27571(17) 0.10374(8) 0.26830(10) 0.0728(6) Uani 1 1 d . . . . . F5 F 0.27198(16) 0.13805(8) 0.37895(10) 0.0692(5) Uani 1 1 d . . . . . F6 F 0.43532(12) 0.11685(6) 0.35009(10) 0.0530(4) Uani 1 1 d . . . . . O4 O 0.21636(11) 0.24547(7) 0.26208(8) 0.0280(3) Uani 1 1 d . . . . . O5 O 0.39390(15) 0.26137(7) 0.35810(10) 0.0465(5) Uani 1 1 d . . . . . O6 O 0.40456(16) 0.22072(10) 0.23344(11) 0.0550(5) Uani 1 1 d . . . . . C40 C 0.32993(18) 0.14218(10) 0.32434(12) 0.0309(5) Uani 1 1 d . . . . . N4 N 0.48338(14) 0.32155(8) 0.71222(9) 0.0246(3) Uani 1 1 d . . . . . H4A H 0.477571 0.364912 0.711459 0.029 Uiso 1 1 calc R U . . . H4B H 0.548643 0.302513 0.706007 0.029 Uiso 1 1 calc R U . . . C41 C 0.38928(16) 0.28304(9) 0.72326(10) 0.0199(4) Uani 1 1 d . . . . . C42 C 0.39501(18) 0.21384(10) 0.72137(11) 0.0271(4) Uani 1 1 d . . . . . H42 H 0.464882 0.192712 0.714518 0.033 Uiso 1 1 calc R U . . . C43 C 0.2987(2) 0.17612(10) 0.72951(11) 0.0329(5) Uani 1 1 d . . . . . H43 H 0.303346 0.129292 0.727863 0.039 Uiso 1 1 calc R U . . . C44 C 0.1958(2) 0.20569(11) 0.73999(11) 0.0330(5) Uani 1 1 d . . . . . H44 H 0.130868 0.179469 0.746233 0.040 Uiso 1 1 calc R U . . . C45 C 0.18920(18) 0.27409(10) 0.74124(11) 0.0270(4) Uani 1 1 d . . . . . H45 H 0.118751 0.294866 0.747607 0.032 Uiso 1 1 calc R U . . . C46 C 0.28471(16) 0.31245(9) 0.73325(10) 0.0203(4) Uani 1 1 d . . . . . H46 H 0.279068 0.359255 0.734579 0.024 Uiso 1 1 calc R U . . . 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 N1 0.0242(8) 0.0219(8) 0.0243(8) -0.0002(7) 0.0055(7) -0.0015(6) C1 0.0221(9) 0.0143(9) 0.0365(11) -0.0048(8) 0.0103(8) -0.0027(7) C2 0.0204(9) 0.0190(9) 0.0266(10) -0.0057(8) 0.0074(8) -0.0031(7) C3 0.0129(8) 0.0158(8) 0.0254(10) -0.0019(7) 0.0064(7) 0.0006(6) C4 0.0122(8) 0.0174(9) 0.0237(9) -0.0003(7) 0.0041(7) 0.0007(6) C5 0.0125(8) 0.0167(8) 0.0245(10) -0.0004(7) 0.0048(7) 0.0006(7) C6 0.0195(9) 0.0201(9) 0.0257(10) 0.0015(8) 0.0069(7) 0.0002(7) C7 0.0247(9) 0.0170(9) 0.0334(11) 0.0030(8) 0.0116(8) -0.0002(7) N2 0.0185(7) 0.0140(7) 0.0186(8) -0.0006(6) 0.0032(6) -0.0004(6) N3 0.0175(7) 0.0150(7) 0.0224(8) -0.0003(6) 0.0063(6) -0.0006(6) C8 0.0185(9) 0.0150(8) 0.0251(10) -0.0012(7) 0.0025(7) -0.0004(7) C9 0.0262(10) 0.0203(9) 0.0271(10) 0.0008(8) 0.0086(8) -0.0031(8) C10 0.0273(10) 0.0240(10) 0.0284(11) 0.0017(8) 0.0089(8) 0.0024(8) C11 0.0343(11) 0.0300(11) 0.0301(11) 0.0036(9) 0.0036(9) 0.0006(9) C12 0.0492(14) 0.0324(12) 0.0274(11) -0.0011(9) 0.0106(10) 0.0008(10) C13 0.0450(13) 0.0316(11) 0.0361(12) -0.0022(10) 0.0185(10) 0.0065(10) C14 0.0288(11) 0.0293(11) 0.0354(12) 0.0024(9) 0.0112(9) 0.0034(8) C15 0.0214(9) 0.0194(9) 0.0147(9) -0.0014(7) 0.0029(7) -0.0011(7) C16 0.0224(9) 0.0194(9) 0.0142(9) 0.0004(7) 0.0051(7) 0.0005(7) C17 0.0147(8) 0.0156(8) 0.0186(9) -0.0007(7) 0.0054(7) 0.0020(6) C18 0.0207(9) 0.0192(9) 0.0189(9) 0.0012(7) -0.0020(7) -0.0015(7) C19 0.0229(9) 0.0185(9) 0.0184(9) 0.0028(7) 0.0002(7) 0.0003(7) C20 0.0144(8) 0.0153(8) 0.0176(9) 0.0000(7) 0.0035(7) 0.0012(6) C21 0.0199(8) 0.0193(9) 0.0162(9) -0.0025(7) 0.0041(7) -0.0025(7) C22 0.0217(9) 0.0191(9) 0.0175(9) 0.0025(7) 0.0056(7) -0.0020(7) C23 0.0144(8) 0.0154(8) 0.0198(9) 0.0000(7) 0.0050(7) 0.0013(6) C24 0.0244(9) 0.0195(9) 0.0150(9) -0.0024(7) 0.0035(7) -0.0025(7) C25 0.0272(9) 0.0183(9) 0.0151(9) 0.0020(7) 0.0043(7) -0.0024(7) C26 0.0149(8) 0.0158(8) 0.0203(9) -0.0013(7) 0.0073(7) 0.0015(7) C27 0.0209(9) 0.0180(9) 0.0187(9) -0.0030(7) 0.0048(7) -0.0007(7) C28 0.0243(9) 0.0201(9) 0.0177(9) 0.0002(7) 0.0050(7) -0.0001(7) C29 0.0188(9) 0.0199(9) 0.0208(9) -0.0011(7) 0.0001(7) -0.0011(7) C30 0.0208(9) 0.0198(9) 0.0200(9) 0.0026(7) 0.0008(7) -0.0004(7) C31 0.0214(9) 0.0149(9) 0.0268(10) -0.0002(7) 0.0070(7) -0.0050(7) C32 0.0207(9) 0.0122(8) 0.0227(9) 0.0011(7) 0.0061(7) -0.0054(7) C33 0.0270(9) 0.0157(8) 0.0182(9) 0.0002(7) 0.0057(7) -0.0043(7) C34 0.0250(9) 0.0137(8) 0.0177(9) 0.0034(7) 0.0017(7) -0.0022(7) C35 0.0210(9) 0.0098(8) 0.0208(9) 0.0012(7) 0.0040(7) -0.0047(7) C36 0.0240(9) 0.0174(9) 0.0169(9) -0.0025(7) 0.0031(7) -0.0053(7) C37 0.0206(9) 0.0164(9) 0.0207(9) 0.0019(7) -0.0001(7) -0.0038(7) C38 0.0225(9) 0.0127(8) 0.0205(9) 0.0001(7) 0.0032(7) -0.0036(7) S1 0.0192(2) 0.0174(2) 0.0170(2) -0.00283(17) 0.00511(17) -0.00124(16) F1 0.0526(8) 0.0271(7) 0.0618(9) -0.0036(6) 0.0332(7) -0.0140(6) F2 0.0385(7) 0.0365(7) 0.0408(7) -0.0099(6) 0.0241(6) 0.0025(5) F3 0.0209(6) 0.0544(8) 0.0496(8) -0.0122(7) 0.0012(6) 0.0052(6) O1 0.0289(7) 0.0424(9) 0.0215(7) -0.0025(6) 0.0003(6) 0.0050(6) O2 0.0247(7) 0.0272(7) 0.0235(7) -0.0095(6) 0.0064(5) 0.0008(5) O3 0.0445(9) 0.0190(7) 0.0311(8) -0.0008(6) 0.0159(7) -0.0051(6) C39 0.0249(10) 0.0237(10) 0.0335(11) -0.0046(8) 0.0120(9) -0.0007(8) S2 0.0149(2) 0.0259(2) 0.0228(2) -0.00516(19) 0.00261(17) -0.00145(17) F4 0.0963(13) 0.0378(8) 0.0644(11) -0.0082(8) -0.0265(10) -0.0258(8) F5 0.0836(12) 0.0590(10) 0.0801(12) 0.0403(9) 0.0513(10) 0.0319(9) F6 0.0334(7) 0.0274(7) 0.0901(12) -0.0048(7) -0.0044(7) 0.0108(6) O4 0.0181(6) 0.0385(8) 0.0260(7) 0.0064(6) 0.0017(5) -0.0001(6) O5 0.0528(10) 0.0230(8) 0.0467(10) -0.0113(7) -0.0260(8) 0.0063(7) O6 0.0462(10) 0.0725(13) 0.0576(12) 0.0113(10) 0.0363(9) 0.0148(9) C40 0.0270(10) 0.0277(11) 0.0346(12) -0.0058(9) -0.0010(9) 0.0007(8) N4 0.0214(8) 0.0265(8) 0.0262(9) -0.0018(7) 0.0060(7) 0.0024(7) C41 0.0231(9) 0.0222(9) 0.0121(8) -0.0010(7) -0.0012(7) 0.0003(7) C42 0.0348(11) 0.0221(10) 0.0195(10) -0.0001(8) -0.0048(8) 0.0073(8) C43 0.0535(14) 0.0182(9) 0.0193(10) 0.0031(8) -0.0088(9) -0.0034(9) C44 0.0422(12) 0.0352(11) 0.0188(10) 0.0034(9) 0.0009(9) -0.0177(10) C45 0.0277(10) 0.0359(11) 0.0172(9) -0.0014(8) 0.0044(8) -0.0048(8) C46 0.0253(9) 0.0189(9) 0.0154(9) -0.0012(7) 0.0017(7) -0.0004(7) 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' 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 C8 N1 C9 118.18(16) . . ? C2 C1 C7 120.69(17) . 3_566 ? C2 C1 H1 119.7 . . ? C7 C1 H1 119.7 3_566 . ? C1 C2 C3 120.94(18) . . ? C1 C2 H2 119.5 . . ? C3 C2 H2 119.5 . . ? C4 C3 C2 121.70(17) . . ? C4 C3 C5 120.04(16) . 3_566 ? C2 C3 C5 118.25(16) . 3_566 ? C5 C4 C3 120.55(17) . . ? C5 C4 C8 120.90(16) . . ? C3 C4 C8 118.55(16) . . ? C4 C5 C6 122.20(17) . . ? C4 C5 C3 119.35(16) . 3_566 ? C6 C5 C3 118.38(16) . 3_566 ? C7 C6 C5 121.33(18) . . ? C7 C6 H6 119.3 . . ? C5 C6 H6 119.3 . . ? C6 C7 C1 120.16(18) . 3_566 ? C6 C7 H7 119.9 . . ? C1 C7 H7 119.9 3_566 . ? C15 N2 C19 120.29(15) . . ? C15 N2 C38 118.72(14) . 3_566 ? C19 N2 C38 120.19(15) . 3_566 ? C29 N3 C28 120.36(15) . . ? C29 N3 C31 120.50(15) . . ? C28 N3 C31 119.05(15) . . ? N1 C8 C4 121.55(16) . . ? N1 C8 H8 119.2 . . ? C4 C8 H8 119.2 . . ? C10 C9 C14 119.24(19) . . ? C10 C9 N1 122.52(17) . . ? C14 C9 N1 118.20(18) . . ? C11 C10 C9 119.91(19) . . ? C11 C10 H10 120.0 . . ? C9 C10 H10 120.0 . . ? C12 C11 C10 120.7(2) . . ? C12 C11 H11 119.7 . . ? C10 C11 H11 119.7 . . ? C11 C12 C13 119.6(2) . . ? C11 C12 H12 120.2 . . ? C13 C12 H12 120.2 . . ? C14 C13 C12 120.3(2) . . ? C14 C13 H13 119.8 . . ? C12 C13 H13 119.8 . . ? C13 C14 C9 120.2(2) . . ? C13 C14 H14 119.9 . . ? C9 C14 H14 119.9 . . ? N2 C15 C16 120.92(16) . . ? N2 C15 H15 119.5 . . ? C16 C15 H15 119.5 . . ? C15 C16 C17 120.47(16) . . ? C15 C16 H16 119.8 . . ? C17 C16 H16 119.8 . . ? C18 C17 C16 116.61(16) . . ? C18 C17 C20 122.41(16) . . ? C16 C17 C20 120.81(16) . . ? C19 C18 C17 120.98(17) . . ? C19 C18 H18 119.5 . . ? C17 C18 H18 119.5 . . ? N2 C19 C18 120.33(16) . . ? N2 C19 H19 119.8 . . ? C18 C19 H19 119.8 . . ? C25 C20 C21 118.30(16) . . ? C25 C20 C17 120.44(16) . . ? C21 C20 C17 121.09(15) . . ? C22 C21 C20 120.52(16) . . ? C22 C21 H21 119.7 . . ? C20 C21 H21 119.7 . . ? C21 C22 C23 121.17(17) . . ? C21 C22 H22 119.4 . . ? C23 C22 H22 119.4 . . ? C24 C23 C22 118.44(16) . . ? C24 C23 C26 121.45(16) . . ? C22 C23 C26 120.11(16) . . ? C25 C24 C23 120.22(16) . . ? C25 C24 H24 119.9 . . ? C23 C24 H24 119.9 . . ? C24 C25 C20 121.32(17) . . ? C24 C25 H25 119.3 . . ? C20 C25 H25 119.3 . . ? C30 C26 C27 117.03(16) . . ? C30 C26 C23 122.50(16) . . ? C27 C26 C23 120.47(16) . . ? C28 C27 C26 120.47(17) . . ? C28 C27 H27 119.8 . . ? C26 C27 H27 119.8 . . ? N3 C28 C27 120.79(17) . . ? N3 C28 H28 119.6 . . ? C27 C28 H28 119.6 . . ? N3 C29 C30 120.57(17) . . ? N3 C29 H29 119.7 . . ? C30 C29 H29 119.7 . . ? C29 C30 C26 120.74(17) . . ? C29 C30 H30 119.6 . . ? C26 C30 H30 119.6 . . ? N3 C31 C32 110.46(14) . . ? N3 C31 H31A 109.6 . . ? C32 C31 H31A 109.6 . . ? N3 C31 H31B 109.6 . . ? C32 C31 H31B 109.6 . . ? H31A C31 H31B 108.1 . . ? C37 C32 C33 119.28(17) . . ? C37 C32 C31 120.37(16) . . ? C33 C32 C31 120.32(16) . . ? C34 C33 C32 120.20(17) . . ? C34 C33 H33 119.9 . . ? C32 C33 H33 119.9 . . ? C35 C34 C33 120.42(17) . . ? C35 C34 H34 119.8 . . ? C33 C34 H34 119.8 . . ? C34 C35 C36 119.36(16) . . ? C34 C35 C38 120.14(16) . . ? C36 C35 C38 120.28(16) . . ? C37 C36 C35 120.33(17) . . ? C37 C36 H36 119.8 . . ? C35 C36 H36 119.8 . . ? C36 C37 C32 120.35(17) . . ? C36 C37 H37 119.8 . . ? C32 C37 H37 119.8 . . ? N2 C38 C35 107.34(13) 3_566 . ? N2 C38 H38A 110.2 3_566 . ? C35 C38 H38A 110.2 . . ? N2 C38 H38B 110.2 3_566 . ? C35 C38 H38B 110.2 . . ? H38A C38 H38B 108.5 . . ? O1 S1 O2 115.51(8) . . ? O1 S1 O3 115.03(9) . . ? O2 S1 O3 114.46(8) . . ? O1 S1 C39 102.95(9) . . ? O2 S1 C39 103.63(9) . . ? O3 S1 C39 102.79(9) . . ? F3 C39 F1 107.56(17) . . ? F3 C39 F2 108.52(16) . . ? F1 C39 F2 107.33(16) . . ? F3 C39 S1 111.51(14) . . ? F1 C39 S1 111.85(13) . . ? F2 C39 S1 109.92(13) . . ? O6 S2 O5 116.36(12) . . ? O6 S2 O4 114.37(10) . . ? O5 S2 O4 114.04(9) . . ? O6 S2 C40 103.30(11) . . ? O5 S2 C40 102.47(10) . . ? O4 S2 C40 103.94(9) . . ? F5 C40 F6 107.52(19) . . ? F5 C40 F4 107.4(2) . . ? F6 C40 F4 107.08(18) . . ? F5 C40 S2 112.45(15) . . ? F6 C40 S2 111.80(15) . . ? F4 C40 S2 110.32(15) . . ? C41 N4 H4A 120.0 . . ? C41 N4 H4B 120.0 . . ? H4A N4 H4B 120.0 . . ? N4 C41 C46 120.81(17) . . ? N4 C41 C42 120.80(17) . . ? C46 C41 C42 118.33(18) . . ? C43 C42 C41 120.13(19) . . ? C43 C42 H42 119.9 . . ? C41 C42 H42 119.9 . . ? C44 C43 C42 121.11(19) . . ? C44 C43 H43 119.4 . . ? C42 C43 H43 119.4 . . ? C45 C44 C43 119.05(19) . . ? C45 C44 H44 120.5 . . ? C43 C44 H44 120.5 . . ? C44 C45 C46 120.52(19) . . ? C44 C45 H45 119.7 . . ? C46 C45 H45 119.7 . . ? C45 C46 C41 120.85(18) . . ? C45 C46 H46 119.6 . . ? C41 C46 H46 119.6 . . ? 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 N1 C8 1.277(2) . ? N1 C9 1.425(3) . ? C1 C2 1.365(3) . ? C1 C7 1.415(3) 3_566 ? C1 H1 0.9500 . ? C2 C3 1.434(2) . ? C2 H2 0.9500 . ? C3 C4 1.415(3) . ? C3 C5 1.436(3) 3_566 ? C4 C5 1.412(2) . ? C4 C8 1.482(3) . ? C5 C6 1.432(3) . ? C6 C7 1.362(3) . ? C6 H6 0.9500 . ? C7 H7 0.9500 . ? N2 C15 1.350(2) . ? N2 C19 1.351(2) . ? N2 C38 1.498(2) 3_566 ? N3 C29 1.347(2) . ? N3 C28 1.355(2) . ? N3 C31 1.501(2) . ? C8 H8 0.9500 . ? C9 C10 1.394(3) . ? C9 C14 1.397(3) . ? C10 C11 1.389(3) . ? C10 H10 0.9500 . ? C11 C12 1.381(3) . ? C11 H11 0.9500 . ? C12 C13 1.387(3) . ? C12 H12 0.9500 . ? C13 C14 1.386(3) . ? C13 H13 0.9500 . ? C14 H14 0.9500 . ? C15 C16 1.371(2) . ? C15 H15 0.9500 . ? C16 C17 1.403(2) . ? C16 H16 0.9500 . ? C17 C18 1.398(2) . ? C17 C20 1.481(2) . ? C18 C19 1.375(3) . ? C18 H18 0.9500 . ? C19 H19 0.9500 . ? C20 C25 1.396(2) . ? C20 C21 1.398(2) . ? C21 C22 1.383(2) . ? C21 H21 0.9500 . ? C22 C23 1.398(2) . ? C22 H22 0.9500 . ? C23 C24 1.398(3) . ? C23 C26 1.485(2) . ? C24 C25 1.387(3) . ? C24 H24 0.9500 . ? C25 H25 0.9500 . ? C26 C30 1.397(3) . ? C26 C27 1.401(3) . ? C27 C28 1.372(3) . ? C27 H27 0.9500 . ? C28 H28 0.9500 . ? C29 C30 1.377(3) . ? C29 H29 0.9500 . ? C30 H30 0.9500 . ? C31 C32 1.513(2) . ? C31 H31A 0.9900 . ? C31 H31B 0.9900 . ? C32 C37 1.393(3) . ? C32 C33 1.395(3) . ? C33 C34 1.391(3) . ? C33 H33 0.9500 . ? C34 C35 1.391(3) . ? C34 H34 0.9500 . ? C35 C36 1.393(2) . ? C35 C38 1.519(2) . ? C36 C37 1.390(3) . ? C36 H36 0.9500 . ? C37 H37 0.9500 . ? C38 H38A 0.9900 . ? C38 H38B 0.9900 . ? S1 O1 1.4370(14) . ? S1 O2 1.4398(13) . ? S1 O3 1.4432(14) . ? S1 C39 1.820(2) . ? F1 C39 1.335(2) . ? F2 C39 1.343(2) . ? F3 C39 1.328(2) . ? S2 O6 1.4215(17) . ? S2 O5 1.4303(15) . ? S2 O4 1.4448(14) . ? S2 C40 1.835(2) . ? F4 C40 1.322(2) . ? F5 C40 1.312(3) . ? F6 C40 1.317(2) . ? N4 C41 1.393(2) . ? N4 H4A 0.8800 . ? N4 H4B 0.8800 . ? C41 C46 1.401(3) . ? C41 C42 1.403(3) . ? C42 C43 1.390(3) . ? C42 H42 0.9500 . ? C43 C44 1.387(3) . ? C43 H43 0.9500 . ? C44 C45 1.387(3) . ? C44 H44 0.9500 . ? C45 C46 1.388(3) . ? C45 H45 0.9500 . ? C46 H46 0.9500 . ? loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA _geom_hbond_site_symmetry_A _geom_hbond_publ_flag C8 H8 O1 0.95 2.51 3.377(2) 151.7 1_455 yes C10 H10 S1 0.95 3.01 3.726(2) 133.2 1_455 yes C15 H15 O3 0.95 2.64 3.374(2) 134.0 2_545 yes C19 H19 O2 0.95 2.39 3.246(2) 150.1 4_566 yes C27 H27 F4 0.95 2.57 3.213(3) 125.0 2 yes C29 H29 O5 0.95 2.31 3.185(2) 153.5 3_666 yes C30 H30 O1 0.95 2.66 3.393(2) 134.6 3_666 yes C31 H31B O5 0.99 2.41 3.276(2) 145.6 3_666 yes C38 H38A O3 0.99 2.40 3.322(2) 154.0 4_576 yes C38 H38B O2 0.99 2.35 3.240(2) 148.6 2 yes N4 H4A O3 0.88 2.45 3.112(2) 132.1 3_666 yes N4 H4B O4 0.88 2.22 2.989(2) 146.3 4_666 yes C46 H46 O3 0.95 2.60 3.285(2) 128.9 3_666 yes loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag C7 C1 C2 C3 -2.2(3) 3_566 . . . ? C1 C2 C3 C4 176.48(17) . . . . ? C1 C2 C3 C5 -2.4(3) . . . 3_566 ? C2 C3 C4 C5 178.19(16) . . . . ? C5 C3 C4 C5 -2.9(3) 3_566 . . . ? C2 C3 C4 C8 -2.7(2) . . . . ? C5 C3 C4 C8 176.11(15) 3_566 . . . ? C3 C4 C5 C6 -173.73(16) . . . . ? C8 C4 C5 C6 7.2(3) . . . . ? C3 C4 C5 C3 2.9(3) . . . 3_566 ? C8 C4 C5 C3 -176.11(15) . . . 3_566 ? C4 C5 C6 C7 179.94(17) . . . . ? C3 C5 C6 C7 3.2(3) 3_566 . . . ? C5 C6 C7 C1 1.3(3) . . . 3_566 ? C9 N1 C8 C4 -179.92(16) . . . . ? C5 C4 C8 N1 52.8(2) . . . . ? C3 C4 C8 N1 -126.23(19) . . . . ? C8 N1 C9 C10 44.4(3) . . . . ? C8 N1 C9 C14 -137.90(19) . . . . ? C14 C9 C10 C11 1.9(3) . . . . ? N1 C9 C10 C11 179.56(18) . . . . ? C9 C10 C11 C12 -0.6(3) . . . . ? C10 C11 C12 C13 -0.9(3) . . . . ? C11 C12 C13 C14 1.0(3) . . . . ? C12 C13 C14 C9 0.3(3) . . . . ? C10 C9 C14 C13 -1.8(3) . . . . ? N1 C9 C14 C13 -179.52(18) . . . . ? C19 N2 C15 C16 -4.2(3) . . . . ? C38 N2 C15 C16 165.57(16) 3_566 . . . ? N2 C15 C16 C17 -0.7(3) . . . . ? C15 C16 C17 C18 5.7(2) . . . . ? C15 C16 C17 C20 -169.70(16) . . . . ? C16 C17 C18 C19 -6.1(3) . . . . ? C20 C17 C18 C19 169.19(16) . . . . ? C15 N2 C19 C18 3.8(3) . . . . ? C38 N2 C19 C18 -165.85(16) 3_566 . . . ? C17 C18 C19 N2 1.5(3) . . . . ? C18 C17 C20 C25 -19.1(2) . . . . ? C16 C17 C20 C25 156.07(17) . . . . ? C18 C17 C20 C21 165.82(17) . . . . ? C16 C17 C20 C21 -19.1(2) . . . . ? C25 C20 C21 C22 -1.9(3) . . . . ? C17 C20 C21 C22 173.34(16) . . . . ? C20 C21 C22 C23 0.7(3) . . . . ? C21 C22 C23 C24 0.8(3) . . . . ? C21 C22 C23 C26 -178.59(16) . . . . ? C22 C23 C24 C25 -1.0(3) . . . . ? C26 C23 C24 C25 178.35(16) . . . . ? C23 C24 C25 C20 -0.2(3) . . . . ? C21 C20 C25 C24 1.6(3) . . . . ? C17 C20 C25 C24 -173.61(16) . . . . ? C24 C23 C26 C30 23.4(3) . . . . ? C22 C23 C26 C30 -157.27(17) . . . . ? C24 C23 C26 C27 -156.77(17) . . . . ? C22 C23 C26 C27 22.6(2) . . . . ? C30 C26 C27 C28 1.7(2) . . . . ? C23 C26 C27 C28 -178.14(16) . . . . ? C29 N3 C28 C27 -1.4(3) . . . . ? C31 N3 C28 C27 -178.08(16) . . . . ? C26 C27 C28 N3 -0.3(3) . . . . ? C28 N3 C29 C30 1.5(3) . . . . ? C31 N3 C29 C30 178.17(16) . . . . ? N3 C29 C30 C26 0.0(3) . . . . ? C27 C26 C30 C29 -1.6(3) . . . . ? C23 C26 C30 C29 178.27(16) . . . . ? C29 N3 C31 C32 -98.85(19) . . . . ? C28 N3 C31 C32 77.8(2) . . . . ? N3 C31 C32 C37 90.12(19) . . . . ? N3 C31 C32 C33 -88.04(19) . . . . ? C37 C32 C33 C34 -2.7(3) . . . . ? C31 C32 C33 C34 175.53(16) . . . . ? C32 C33 C34 C35 1.6(3) . . . . ? C33 C34 C35 C36 0.8(3) . . . . ? C33 C34 C35 C38 -173.76(16) . . . . ? C34 C35 C36 C37 -2.0(3) . . . . ? C38 C35 C36 C37 172.49(15) . . . . ? C35 C36 C37 C32 0.9(3) . . . . ? C33 C32 C37 C36 1.4(3) . . . . ? C31 C32 C37 C36 -176.78(16) . . . . ? C34 C35 C38 N2 83.10(19) . . . 3_566 ? C36 C35 C38 N2 -91.37(18) . . . 3_566 ? O1 S1 C39 F3 -179.36(13) . . . . ? O2 S1 C39 F3 -58.66(15) . . . . ? O3 S1 C39 F3 60.81(15) . . . . ? O1 S1 C39 F1 -58.87(16) . . . . ? O2 S1 C39 F1 61.82(16) . . . . ? O3 S1 C39 F1 -178.71(14) . . . . ? O1 S1 C39 F2 60.25(15) . . . . ? O2 S1 C39 F2 -179.05(13) . . . . ? O3 S1 C39 F2 -59.59(16) . . . . ? O6 S2 C40 F5 179.17(17) . . . . ? O5 S2 C40 F5 57.87(18) . . . . ? O4 S2 C40 F5 -61.13(18) . . . . ? O6 S2 C40 F6 58.10(18) . . . . ? O5 S2 C40 F6 -63.20(18) . . . . ? O4 S2 C40 F6 177.80(15) . . . . ? O6 S2 C40 F4 -60.95(19) . . . . ? O5 S2 C40 F4 177.75(17) . . . . ? O4 S2 C40 F4 58.76(18) . . . . ? N4 C41 C42 C43 -177.47(17) . . . . ? C46 C41 C42 C43 -0.2(3) . . . . ? C41 C42 C43 C44 -0.3(3) . . . . ? C42 C43 C44 C45 0.9(3) . . . . ? C43 C44 C45 C46 -1.0(3) . . . . ? C44 C45 C46 C41 0.4(3) . . . . ? N4 C41 C46 C45 177.42(17) . . . . ? C42 C41 C46 C45 0.1(3) . . . . ?