#------------------------------------------------------------------------------ #$Date: 2020-11-22 01:30:52 +0200 (Sun, 22 Nov 2020) $ #$Revision: 259219 $ #$URL: file:///home/coder/svn-repositories/cod/cif/4/00/38/4003827.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_4003827 loop_ _publ_author_name 'Zuluaga, Andr\'es Reyes' 'Brock, Aidan J.' 'Pfrunder, Michael C.' 'Phonsri, Wasinee' 'Murray, Keith S.' 'Harding, Phimphaka' 'Micallef, Aaron S.' 'Mullen, Kathleen M.' 'Clegg, Jack K.' 'Harding, David J.' 'McMurtrie, John C.' _publ_section_title ; Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal ; _journal_name_full 'Chemistry of Materials' _journal_paper_doi 10.1021/acs.chemmater.0c03396 _journal_year 2020 _chemical_formula_moiety 'C6 F3 I3, C34 H26 Fe N4 O4, C N S' _chemical_formula_sum 'C41 H26 F3 Fe I3 N5 O4 S' _chemical_formula_weight 1178.28 _chemical_name_systematic 'bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene)' _space_group_crystal_system triclinic _space_group_IT_number 2 _space_group_name_Hall '-P 1' _space_group_name_H-M_alt 'P -1' _atom_sites_solution_hydrogens geom _atom_sites_solution_primary dual _audit_creation_date 2020-03-30 _audit_creation_method ; Olex2 1.3 (compiled 2020.02.04 svn.rd84adfe8 for OlexSys, GUI svn.r6032) ; _cell_angle_alpha 82.774(3) _cell_angle_beta 77.228(3) _cell_angle_gamma 89.277(2) _cell_formula_units_Z 2 _cell_length_a 11.8317(3) _cell_length_b 12.3456(4) _cell_length_c 13.9916(5) _cell_measurement_reflns_used 16404 _cell_measurement_temperature 169.96(18) _cell_measurement_theta_max 31.0070 _cell_measurement_theta_min 2.5240 _cell_volume 1977.10(11) _computing_cell_refinement 'CrysAlisPro 1.171.40.61a (Rigaku OD, 2019)' _computing_data_collection 'CrysAlisPro 1.171.40.61a (Rigaku OD, 2019)' _computing_data_reduction 'CrysAlisPro 1.171.40.61a (Rigaku OD, 2019)' _computing_molecular_graphics 'Olex2 1.3 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 1.3 (Dolomanov et al., 2009)' _computing_structure_refinement 'SHELXL 2018/3 (Sheldrick, 2015)' _computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)' _diffrn_ambient_environment N~2~ _diffrn_ambient_temperature 169.96(18) _diffrn_detector 'Hybrid Pixel Array Detector' _diffrn_detector_area_resol_mean 5.8140 _diffrn_detector_type 'Pilatus 300K' _diffrn_measured_fraction_theta_full 0.997 _diffrn_measured_fraction_theta_max 0.991 _diffrn_measurement_details ; List of Runs (angles in degrees, time in seconds): # Type Start End Width t~exp~ \w \q \k \f Frames -------------------------------------------------------------------------- 1 \w -17.00 34.00 0.50 1.00 -- 7.84 93.00-131.00 102 2 \w -13.00 38.00 0.50 1.00 -- 7.84 -93.00 117.00 102 3 \w -43.00 -16.00 0.50 1.00 -- -9.41 93.00-131.00 54 4 \w -42.00 -16.00 0.50 1.00 -- 7.84 -57.00 -30.00 52 5 \w 0.00 37.00 0.50 1.00 -- 7.84 -99.00 -90.00 74 6 \w -59.00 22.00 0.50 1.00 -- 7.84 -57.00 60.00 162 7 \w -18.00 75.00 0.50 1.00 -- 7.84 77.00 0.00 186 8 \w 5.00 36.00 0.50 1.00 -- 7.84 -99.00 0.00 62 9 \w -7.00 79.00 0.50 1.00 -- 7.84 57.00 60.00 172 10 \w 3.00 40.00 0.50 1.00 -- 7.84 -99.00-180.00 74 ; _diffrn_measurement_device 'four-circle diffractometer' _diffrn_measurement_device_type 'XtaLAB Synergy, Dualflex, Pilatus 300K' _diffrn_measurement_method '\w scans' _diffrn_orient_matrix_type 'CrysAlisPro convention (1999,Acta A55,543-557)' _diffrn_orient_matrix_UB_11 0.0271280000 _diffrn_orient_matrix_UB_12 -0.0258729000 _diffrn_orient_matrix_UB_13 -0.0414502000 _diffrn_orient_matrix_UB_21 -0.0202303000 _diffrn_orient_matrix_UB_22 -0.0515233000 _diffrn_orient_matrix_UB_23 0.0262661000 _diffrn_orient_matrix_UB_31 -0.0513253000 _diffrn_orient_matrix_UB_32 0.0055445000 _diffrn_orient_matrix_UB_33 -0.0183750000 _diffrn_radiation_monochromator mirror _diffrn_radiation_probe x-ray _diffrn_radiation_type 'Mo K\a' _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0811 _diffrn_reflns_av_unetI/netI 0.0707 _diffrn_reflns_Laue_measured_fraction_full 0.997 _diffrn_reflns_Laue_measured_fraction_max 0.991 _diffrn_reflns_limit_h_max 15 _diffrn_reflns_limit_h_min -15 _diffrn_reflns_limit_k_max 16 _diffrn_reflns_limit_k_min -16 _diffrn_reflns_limit_l_max 18 _diffrn_reflns_limit_l_min -18 _diffrn_reflns_number 33787 _diffrn_reflns_point_group_measured_fraction_full 0.997 _diffrn_reflns_point_group_measured_fraction_max 0.991 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 28.281 _diffrn_reflns_theta_min 2.050 _diffrn_source 'micro-focus sealed X-ray tube' _diffrn_source_type 'PhotonJet (Mo) X-ray Source' _exptl_absorpt_coefficient_mu 2.841 _exptl_absorpt_correction_T_max 1.00000 _exptl_absorpt_correction_T_min 0.14460 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; CrysAlisPro 1.171.40.61a (Rigaku Oxford Diffraction, 2019) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. ; _exptl_crystal_colour 'dark brown' _exptl_crystal_colour_modifier dark _exptl_crystal_colour_primary brown _exptl_crystal_density_diffrn 1.979 _exptl_crystal_description block _exptl_crystal_F_000 1134 _exptl_crystal_preparation 'Combined equal ratios of starting materials' _exptl_crystal_recrystallization_method 'Slow evaporation of the solvent' _exptl_crystal_size_max 2 _exptl_crystal_size_mid 1 _exptl_crystal_size_min 1 _refine_diff_density_max 1.540 _refine_diff_density_min -1.364 _refine_diff_density_rms 0.165 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.078 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 525 _refine_ls_number_reflns 9740 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.078 _refine_ls_R_factor_all 0.0700 _refine_ls_R_factor_gt 0.0504 _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^)+(0.0594P)^2^] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1250 _refine_ls_wR_factor_ref 0.1352 _reflns_Friedel_coverage 0.000 _reflns_number_gt 7068 _reflns_number_total 9740 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file cm0c03396_si_006.cif _cod_data_source_block sjcm19ar19a_14_170_00 _cod_database_code 4003827 _shelx_shelxl_version_number 2018/3 _chemical_oxdiff_formula 'C40 H40 N5 O2 Fe S I3 F3' _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 0.163 _shelx_estimated_absorpt_t_min 0.070 _reflns_odcompleteness_completeness 80.76 _reflns_odcompleteness_iscentric 1 _reflns_odcompleteness_theta 33.25 _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: C25(H25), C23(H23), C19(H19), C16(H16), C2(H2), C6(H6), C8(H8), C28(H28), C33(H33), C10(H10), C3(H3), C12(H12), C27(H27), C29(H29), C11(H11), C20(H20), C14(H14), C31(H31), C32(H32), C15(H15) 2.b Idealised Me refined as rotating group: C5(H5A,H5B,H5C), C22(H22A,H22B,H22C) ; _shelx_res_file ; TITL sjcm19ar19a_14_170_00_a.res in P-1 sjcm19ar19a_14_170_00.res created by SHELXL-2018/3 at 15:53:32 on 30-Mar-2020 REM Old TITL Sjcm19ar19a_14_170_00 in P-1 REM SHELXT solution in P-1: R1 0.193, Rweak 0.012, Alpha 0.052 REM 0.000 for 0 systematic absences, Orientation as input REM Formula found by SHELXT: C41 N7 O4 F S Fe2 I2 CELL 0.71073 11.8317 12.3456 13.9916 82.774 77.228 89.277 ZERR 2 0.0003 0.0004 0.0005 0.003 0.003 0.002 LATT 1 SFAC C H F Fe I N O S UNIT 82 52 6 2 6 10 8 2 L.S. 15 PLAN 5 SIZE 2 1 1 TEMP -103 CONF HTAB BOND list 4 MORE -1 BOND $H fmap 2 acta SHEL 50 0.75 REM REM REM WGHT 0.059400 FVAR 0.18270 I1 5 -0.082942 0.236966 0.385791 11.00000 0.02720 0.03956 = 0.03809 -0.00971 -0.00917 0.00485 I3 5 0.283816 0.055137 0.605360 11.00000 0.03593 0.03303 = 0.05904 -0.00425 -0.01863 0.00660 I2 5 -0.008683 0.428601 0.744245 11.00000 0.05543 0.04246 = 0.05025 -0.02018 -0.00856 0.00251 FE1 4 0.514860 0.364372 0.789570 11.00000 0.02026 0.02161 = 0.01981 -0.00522 -0.00485 0.00310 S1 8 -0.201613 0.290670 0.196677 11.00000 0.05594 0.05443 = 0.03583 -0.01329 -0.01548 0.02152 F3 3 0.118755 0.088048 0.450392 11.00000 0.04397 0.03761 = 0.04175 -0.01556 -0.01193 0.01259 F1 3 -0.105825 0.384152 0.558607 11.00000 0.04001 0.04403 = 0.05061 -0.01509 -0.01724 0.01676 O3 7 0.591897 0.309704 0.888960 11.00000 0.02416 0.03123 = 0.02022 -0.00778 -0.00467 0.00581 O1 7 0.628578 0.472063 0.735391 11.00000 0.02385 0.02831 = 0.02201 -0.00553 -0.00296 0.00185 F2 3 0.186735 0.251852 0.718033 11.00000 0.06021 0.03833 = 0.04772 -0.00540 -0.02981 0.00219 N3 6 0.596581 0.271753 0.695327 11.00000 0.02448 0.02094 = 0.01852 -0.00385 -0.00463 0.00279 O4 7 0.969159 0.038942 0.875684 11.00000 0.03294 0.03893 = 0.04016 -0.00848 -0.01928 0.01208 O2 7 0.693958 0.875346 0.846732 11.00000 0.03479 0.02901 = 0.04447 -0.01171 -0.00281 -0.00773 N1 6 0.423410 0.454714 0.880376 11.00000 0.01980 0.02325 = 0.02127 -0.00040 -0.00142 0.00322 N2 6 0.385609 0.257861 0.847720 11.00000 0.02638 0.01822 = 0.02116 -0.00461 -0.00934 0.00269 N4 6 0.432496 0.410271 0.682466 11.00000 0.02676 0.02398 = 0.02280 -0.00297 -0.00762 -0.00083 C25 1 0.687167 0.214920 0.704668 11.00000 0.02200 0.02306 = 0.02142 -0.00698 -0.00576 0.00842 AFIX 43 H25 2 0.725336 0.179817 0.650002 11.00000 -1.20000 AFIX 0 C7 1 0.560701 0.603481 0.849352 11.00000 0.02001 0.02481 = 0.02404 -0.00364 -0.00637 0.00119 C34 1 0.466291 0.353690 0.602622 11.00000 0.02114 0.02446 = 0.02092 -0.00144 -0.00543 -0.00117 C24 1 0.733895 0.201171 0.791260 11.00000 0.02170 0.02767 = 0.02426 -0.00764 -0.00800 0.00363 C9 1 0.312612 0.408943 0.929975 11.00000 0.01973 0.02053 = 0.02615 -0.00409 -0.00519 -0.00037 C18 1 0.684670 0.248177 0.877738 11.00000 0.02234 0.02570 = 0.02261 -0.00544 -0.00687 -0.00113 C26 1 0.554112 0.275752 0.607701 11.00000 0.02368 0.03001 = 0.01725 -0.00450 -0.00465 0.00368 C23 1 0.829708 0.130061 0.788387 11.00000 0.02403 0.02015 = 0.02703 -0.00401 -0.00523 0.00567 AFIX 43 H23 2 0.860786 0.097790 0.730190 11.00000 -1.20000 AFIX 0 C19 1 0.737644 0.223566 0.958626 11.00000 0.02736 0.03017 = 0.02435 -0.00881 -0.01185 0.00525 AFIX 43 H19 2 0.707427 0.254343 1.017800 11.00000 -1.20000 AFIX 0 C17 1 0.296896 0.300048 0.912590 11.00000 0.02227 0.02196 = 0.02248 -0.00555 -0.00753 0.00582 C1 1 0.642424 0.563106 0.771696 11.00000 0.01868 0.02843 = 0.02381 -0.00412 -0.00654 0.00213 C16 1 0.376564 0.154594 0.831710 11.00000 0.03447 0.02125 = 0.02622 -0.00414 -0.00754 0.00236 AFIX 43 H16 2 0.438129 0.124358 0.787647 11.00000 -1.20000 AFIX 0 C2 1 0.741604 0.629270 0.726450 11.00000 0.02294 0.03326 = 0.02493 -0.00525 -0.00407 0.00129 AFIX 43 H2 2 0.799139 0.603382 0.676007 11.00000 -1.20000 AFIX 0 C6 1 0.577871 0.707816 0.877639 11.00000 0.02736 0.02420 = 0.03157 -0.00434 -0.00966 0.00187 AFIX 43 H6 2 0.523698 0.733745 0.930355 11.00000 -1.20000 AFIX 0 C00V 1 0.038377 0.320384 0.641071 11.00000 0.03561 0.02565 = 0.03910 -0.01249 -0.00815 0.00174 C8 1 0.456260 0.547877 0.900320 11.00000 0.02030 0.02649 = 0.02177 -0.00735 -0.00249 0.00131 AFIX 43 H8 2 0.407514 0.580627 0.952014 11.00000 -1.20000 AFIX 0 C00X 1 0.005261 0.237534 0.501207 11.00000 0.03122 0.03372 = 0.03561 -0.00086 -0.00856 -0.00282 C13 1 0.194869 0.240264 0.958793 11.00000 0.02396 0.03348 = 0.02534 -0.00232 -0.00711 -0.00424 C00Z 1 0.156712 0.168792 0.584347 11.00000 0.02701 0.03158 = 0.03791 -0.00475 -0.00786 0.00055 C28 1 0.538607 0.229999 0.449144 11.00000 0.04107 0.03283 = 0.02250 -0.00791 -0.01110 0.00745 AFIX 43 H28 2 0.562765 0.186523 0.397098 11.00000 -1.20000 AFIX 0 C33 1 0.353601 0.485898 0.678577 11.00000 0.02792 0.02924 = 0.02963 -0.00243 -0.01064 0.00460 AFIX 43 H33 2 0.330536 0.526047 0.733133 11.00000 -1.20000 AFIX 0 C4 1 0.673482 0.771380 0.828305 11.00000 0.02140 0.02448 = 0.03378 -0.00444 -0.00780 -0.00292 C013 1 -0.019761 0.313121 0.567402 11.00000 0.02930 0.03026 = 0.04159 -0.00886 -0.00866 0.00673 C21 1 0.877784 0.107767 0.870229 11.00000 0.01919 0.03099 = 0.03296 -0.00835 -0.01055 0.00279 C35 1 -0.302526 0.194882 0.216516 11.00000 0.05845 0.04882 = 0.02405 -0.01904 -0.01858 0.03162 C10 1 0.223936 0.458654 0.988824 11.00000 0.02711 0.02767 = 0.03212 -0.00905 -0.00575 0.00213 AFIX 43 H10 2 0.232249 0.532413 0.999292 11.00000 -1.20000 AFIX 0 C3 1 0.755908 0.729539 0.754081 11.00000 0.02117 0.03921 = 0.03525 -0.00710 -0.00688 -0.00551 AFIX 43 H3 2 0.823252 0.771993 0.722313 11.00000 -1.20000 AFIX 0 C30 1 0.416589 0.371419 0.518397 11.00000 0.03028 0.03095 = 0.02488 -0.00054 -0.00690 -0.00268 C12 1 0.105217 0.294007 1.019721 11.00000 0.01958 0.03559 = 0.03459 -0.00900 0.00007 -0.00381 AFIX 43 H12 2 0.034587 0.256279 1.050784 11.00000 -1.20000 AFIX 0 C27 1 0.588527 0.213190 0.531640 11.00000 0.03278 0.03280 = 0.02588 -0.00859 -0.00883 0.00227 AFIX 43 H27 2 0.645728 0.159037 0.535173 11.00000 -1.20000 AFIX 0 C29 1 0.456202 0.307088 0.441374 11.00000 0.03493 0.03842 = 0.02226 -0.00095 -0.01190 -0.00259 AFIX 43 H29 2 0.425328 0.317501 0.383769 11.00000 -1.20000 AFIX 0 N5 6 -0.375416 0.127815 0.230282 11.00000 0.06491 0.06102 = 0.04705 -0.02479 -0.01740 0.02128 C01D 1 0.127866 0.247325 0.646973 11.00000 0.03179 0.02806 = 0.03638 0.00283 -0.01338 -0.00122 C11 1 0.120451 0.399816 1.033682 11.00000 0.02660 0.03225 = 0.03889 -0.00894 -0.00002 0.00126 AFIX 43 H11 2 0.059776 0.434731 1.074677 11.00000 -1.20000 AFIX 0 C01F 1 0.093088 0.164966 0.512258 11.00000 0.03179 0.03234 = 0.03359 -0.00769 -0.00652 0.00187 C20 1 0.830940 0.156920 0.954476 11.00000 0.03117 0.03570 = 0.02896 -0.00689 -0.01465 -0.00150 AFIX 43 H20 2 0.864866 0.143630 1.010286 11.00000 -1.20000 AFIX 0 C14 1 0.189094 0.130389 0.940389 11.00000 0.03223 0.03040 = 0.03187 -0.00418 -0.00726 -0.01007 AFIX 43 H14 2 0.122916 0.086049 0.971522 11.00000 -1.20000 AFIX 0 C31 1 0.333113 0.453951 0.518121 11.00000 0.03561 0.03304 = 0.03281 0.00126 -0.01617 0.00247 AFIX 43 H31 2 0.298930 0.470214 0.462706 11.00000 -1.20000 AFIX 0 C32 1 0.301734 0.509893 0.596607 11.00000 0.03380 0.03636 = 0.03413 -0.00357 -0.01126 0.00443 AFIX 43 H32 2 0.245071 0.565118 0.596751 11.00000 -1.20000 AFIX 0 C15 1 0.278972 0.089059 0.877872 11.00000 0.03861 0.02641 = 0.03466 -0.00391 -0.01559 -0.00729 AFIX 43 H15 2 0.275744 0.015425 0.865340 11.00000 -1.20000 AFIX 0 C5 1 0.600238 0.926356 0.905111 11.00000 0.04348 0.02511 = 0.03877 -0.00993 -0.00505 -0.00476 AFIX 137 H5A 2 0.532473 0.925568 0.875637 11.00000 -1.50000 H5B 2 0.621878 1.002023 0.908072 11.00000 -1.50000 H5C 2 0.581494 0.886782 0.972030 11.00000 -1.50000 AFIX 0 C22 1 0.997839 -0.031471 0.801240 11.00000 0.03550 0.04031 = 0.03310 -0.00661 -0.00839 0.01301 AFIX 137 H22A 2 1.024273 0.012235 0.736738 11.00000 -1.50000 H22B 2 0.929289 -0.074842 0.800541 11.00000 -1.50000 H22C 2 1.059732 -0.080360 0.815106 11.00000 -1.50000 AFIX 0 HKLF 4 REM sjcm19ar19a_14_170_00_a.res in P-1 REM wR2 = 0.1352, GooF = S = 1.078, Restrained GooF = 1.078 for all data REM R1 = 0.0504 for 7068 Fo > 4sig(Fo) and 0.0700 for all 9740 data REM 525 parameters refined using 0 restraints END WGHT 0.0594 0.0000 REM Instructions for potential hydrogen bonds EQIV $1 x+1, y, z+1 HTAB C19 S1_$1 HTAB C16 N3 EQIV $2 x+1, y, z HTAB C2 I2_$2 EQIV $3 -x+1, -y+1, -z+2 HTAB C6 O3_$3 EQIV $4 -x, -y+1, -z+1 HTAB C33 S1_$4 HTAB C33 N1 EQIV $5 -x+1, -y+1, -z+1 HTAB C3 I1_$5 HTAB C32 I1_$4 EQIV $6 -x, -y, -z+1 HTAB C15 N5_$6 HTAB C22 I3_$2 REM Highest difference peak 1.540, deepest hole -1.364, 1-sigma level 0.165 Q1 1 0.3162 0.0604 0.5426 11.00000 0.05 1.54 Q2 1 -0.0577 0.3358 0.3424 11.00000 0.05 1.31 Q3 1 -0.1212 0.2209 0.4515 11.00000 0.05 1.01 Q4 1 0.0340 0.4437 0.6774 11.00000 0.05 0.98 Q5 1 0.2834 0.1438 0.5636 11.00000 0.05 0.87 ; _shelx_res_checksum 84746 _shelx_hkl_file ; 0 0 -2 256.10 14.40 0 0 2 264.56 14.46 0 0 -3 38.40 3.28 0 0 3 36.12 3.21 0 0 4 62.19 5.09 0 0 4 69.21 5.30 0 0 -4 68.33 5.32 0 0 5 636.01 35.65 0 0 -5 647.68 35.82 0 0 5 652.61 35.77 0 0 6 639.84 27.44 0 0 6 675.48 27.74 0 0 -6 638.06 27.51 0 0 -7 4.68 1.85 0 0 7 1.03 1.18 0 0 -7 0.51 1.13 0 0 7 0.75 1.16 0 0 -8 442.47 23.28 0 0 -8 389.38 25.75 0 0 8 404.06 25.52 0 0 -8 415.77 25.53 0 0 8 383.42 25.18 0 0 -9 148.82 11.85 0 0 -9 173.44 11.93 0 0 9 147.21 11.40 0 0 -10 109.85 10.54 0 0 -10 108.15 10.03 0 0 10 113.55 10.24 0 0 -11 13.24 1.98 0 0 11 12.98 3.04 0 0 -11 19.43 4.25 0 0 11 13.04 3.75 0 0 -11 19.30 3.20 0 0 -11 14.69 3.94 0 0 12 71.63 9.09 0 0 -12 77.17 9.16 0 0 12 68.68 6.60 0 0 12 68.07 8.35 0 0 -12 69.51 6.67 0 0 -12 65.09 5.13 0 0 13 7.10 3.79 0 0 -13 8.23 3.82 0 0 -13 8.12 2.50 0 0 13 14.54 4.12 0 0 13 0.95 1.62 0 0 -13 12.77 1.91 0 0 14 65.72 8.63 0 0 -14 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73.67 9.61 0 6 13 76.39 9.72 0 6 14 55.44 8.64 0 6 14 60.96 9.09 0 6 15 -1.38 2.45 0 6 16 23.03 6.13 0 6 17 1.60 3.60 0 6 18 0.91 3.72 0 -6 -18 -0.48 2.28 0 -6 -19 2.46 2.54 0 -7 18 9.57 5.17 0 -7 17 5.43 4.13 0 -7 16 3.40 4.05 0 -7 15 2.40 3.29 0 -7 14 0.75 2.79 0 -7 13 60.50 9.28 0 7 -13 49.27 8.92 0 -7 12 118.38 12.46 0 7 -12 96.83 10.86 0 -7 11 -1.74 3.51 0 7 -11 1.99 2.89 0 7 -11 -0.54 3.64 0 7 -10 11.97 4.41 0 7 -9 1.74 1.46 0 7 -9 -2.45 4.59 0 -7 9 0.75 1.50 0 7 -8 56.50 5.66 0 -7 8 48.95 6.42 0 7 -8 61.26 9.95 0 7 -7 217.37 19.55 0 7 -7 170.50 16.88 0 7 -6 39.53 9.34 0 -7 5 78.98 7.95 0 7 -5 64.78 12.14 0 -7 4 424.81 22.74 0 -7 4 340.62 21.35 0 -7 3 309.86 18.43 0 -7 3 291.25 17.84 0 -7 2 11.81 2.78 0 -7 2 13.30 2.82 0 -7 1 67.77 6.83 0 -7 1 70.85 6.71 0 -7 0 13.01 1.83 0 7 0 11.57 2.58 0 7 0 4.00 0.98 0 -7 0 10.76 2.64 0 -7 0 10.12 2.52 0 -7 -1 692.53 38.07 0 -7 -1 623.98 34.89 0 7 1 702.24 37.29 0 -7 -1 599.44 37.20 0 -7 -1 706.52 37.66 0 -7 -2 650.06 39.04 0 7 2 716.63 38.26 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154.44 12.08 0 -8 -2 154.51 12.88 0 -8 -2 144.97 12.83 0 8 2 183.55 15.03 0 -8 -2 176.67 12.96 0 8 3 62.34 6.62 0 -8 -3 61.05 7.61 0 -8 -3 72.63 7.98 0 -8 -3 75.15 7.67 0 -8 -4 21.13 4.22 0 -8 -4 22.66 4.03 0 -8 -4 12.78 3.51 0 8 4 26.04 3.79 0 8 4 18.95 3.40 0 -8 -5 6.32 2.91 0 -8 -5 12.40 3.07 0 -8 -5 11.68 3.39 0 8 5 14.83 2.96 0 -8 -6 169.09 13.25 0 8 6 146.78 11.66 0 8 6 156.93 11.13 0 -8 -6 153.70 12.38 0 -8 -7 238.41 18.37 0 8 7 229.03 17.18 0 8 7 219.52 16.56 0 8 7 231.36 16.27 0 -8 -7 237.65 17.68 0 8 7 226.82 14.49 0 8 8 2.13 1.75 0 -8 -8 -0.48 1.71 0 8 8 -0.82 1.55 0 8 8 -0.89 1.60 0 -8 -8 0.53 1.77 0 8 8 0.18 0.90 0 8 9 1.56 1.31 0 8 9 1.37 2.07 0 8 9 0.48 1.94 0 -8 -9 3.44 2.96 0 8 9 0.44 1.01 0 8 10 28.15 5.39 0 8 10 19.75 4.88 0 -8 -10 19.66 5.22 0 8 10 27.52 4.97 0 8 11 34.28 6.32 0 8 11 31.39 5.95 0 8 11 34.66 5.86 0 8 12 195.10 17.10 0 8 12 188.01 16.17 0 8 13 80.45 10.20 0 8 13 89.95 10.30 0 -8 -14 23.88 7.56 0 8 14 106.51 11.53 0 8 15 41.04 7.98 0 -8 -15 7.20 5.47 0 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2.54 0 -9 -1 1.50 1.59 0 -9 -2 15.02 3.86 0 -9 -2 21.79 4.07 0 -9 -2 17.53 4.04 0 9 2 19.16 4.77 0 9 2 18.76 3.55 0 -9 -3 -0.50 1.88 0 -9 -3 0.79 1.42 0 -9 -3 0.91 1.72 0 9 3 0.40 1.75 0 9 3 2.31 1.79 0 -9 -4 7.28 2.95 0 -9 -4 3.25 2.22 0 -9 -4 5.04 2.92 0 9 4 8.44 2.70 0 -9 -5 37.50 6.21 0 -9 -5 32.92 5.86 0 9 5 40.92 5.30 0 -9 -5 39.17 5.78 0 -9 -6 5.52 2.89 0 9 6 1.01 1.56 0 -9 -6 3.50 2.37 0 -9 -6 5.97 3.12 0 -9 -6 2.98 1.84 0 9 6 2.07 1.42 0 9 6 0.14 1.07 0 9 7 175.00 11.18 0 9 7 158.73 12.97 0 -9 -7 156.66 14.36 0 9 7 143.69 12.89 0 -9 -7 158.43 14.89 0 -9 -7 179.32 14.51 0 9 7 148.50 11.46 0 9 8 3.38 2.14 0 -9 -8 9.55 3.52 0 9 8 1.74 1.90 0 -9 -8 5.67 2.55 0 9 8 2.37 2.09 0 -9 -8 0.83 2.29 0 -9 -8 7.79 3.52 0 9 8 2.45 1.38 0 9 9 24.98 4.62 0 9 9 19.14 4.60 0 9 9 26.59 5.30 0 -9 -9 23.23 5.27 0 -9 -9 28.75 6.08 0 9 9 24.12 3.33 0 9 10 -0.55 2.21 0 9 10 -1.06 2.63 0 9 10 -0.71 1.21 0 9 10 0.44 1.76 0 -9 -11 47.57 8.31 0 9 11 80.84 9.40 0 -9 -11 38.37 4.07 0 9 11 72.44 8.08 0 -9 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75.06 5.20 0 10 -1 84.66 11.04 0 -10 1 92.77 9.26 0 -10 0 266.12 19.09 0 -10 0 250.53 15.79 0 -10 0 246.61 18.36 0 10 0 265.33 21.19 0 -10 0 245.85 18.57 0 10 1 57.23 6.87 0 -10 -1 58.65 7.33 0 -10 -1 55.87 7.67 0 10 1 63.60 8.64 0 -10 -1 48.76 6.80 0 10 2 80.53 8.43 0 -10 -2 75.06 8.94 0 -10 -2 80.72 9.76 0 10 2 100.37 10.17 0 -10 -2 85.81 9.00 0 10 3 223.15 16.30 0 -10 -3 205.37 17.27 0 -10 -3 181.85 17.36 0 10 3 246.22 17.23 0 -10 -3 233.07 17.26 0 -10 -4 217.84 19.20 0 -10 -4 211.73 18.50 0 10 4 253.20 17.52 0 -10 -4 265.03 18.70 0 -10 -5 2.90 2.52 0 -10 -5 4.23 2.74 0 10 5 0.99 1.50 0 -10 -5 1.21 2.39 0 10 5 1.12 1.57 0 -10 -6 0.60 2.13 0 10 6 5.65 2.45 0 -10 -6 4.88 2.41 0 -10 -6 2.45 2.55 0 10 6 4.85 1.27 0 10 6 2.46 1.78 0 10 7 -0.16 1.15 0 10 7 2.72 1.97 0 -10 -7 1.19 2.46 0 -10 -7 2.02 2.22 0 -10 -7 -0.29 1.82 0 -10 -7 1.28 2.27 0 10 7 1.13 1.42 0 10 8 156.18 12.00 0 10 8 94.63 8.23 0 -10 -8 135.73 13.85 0 -10 -8 105.48 10.31 0 10 8 136.07 9.90 0 -10 -8 156.52 13.24 0 10 9 256.99 18.14 0 10 9 202.69 15.07 0 -10 -9 270.18 18.74 0 10 9 279.58 19.92 0 10 9 217.78 15.21 0 -10 -9 256.67 19.47 0 10 10 21.08 5.40 0 -10 -10 22.20 5.13 0 10 10 16.78 2.89 0 10 10 26.08 4.89 0 10 11 56.11 7.37 0 -10 -11 59.35 8.15 0 10 11 31.28 3.40 0 -10 -11 43.85 7.70 0 10 11 47.70 7.73 0 -10 -12 78.57 9.60 0 10 12 81.38 10.34 0 10 13 -2.16 3.50 0 -10 -13 -2.31 3.98 0 10 14 -0.77 3.59 0 -10 -14 -1.71 4.65 0 -10 -14 -1.23 2.55 0 -10 -15 3.72 4.77 0 10 15 8.99 4.68 0 -10 -15 11.99 4.16 0 10 15 4.07 4.06 0 -10 -16 1.01 4.67 0 10 16 -0.87 4.17 0 -10 -16 -1.29 2.26 0 10 16 -0.73 2.71 0 -10 -17 6.47 6.26 0 10 17 22.75 6.44 0 -10 -17 21.23 5.69 0 -10 -18 9.55 4.24 0 -10 -19 9.86 4.32 0 -11 15 -0.93 3.16 0 -11 14 0.89 3.58 0 11 -14 2.61 4.76 0 -11 13 1.70 3.90 0 11 -13 -1.32 4.28 0 -11 12 -4.04 3.87 0 11 -12 -1.34 5.25 0 -11 11 -3.83 3.68 0 -11 11 1.34 3.09 0 11 -11 2.69 4.72 0 -11 10 -0.72 3.49 0 -11 10 0.66 3.05 0 11 -10 2.68 4.41 0 -11 9 49.06 8.04 0 11 -9 37.79 10.31 0 -11 8 2.90 2.91 0 11 -8 -1.26 4.19 0 -11 7 7.08 3.37 0 -11 6 9.84 3.73 0 -11 5 7.02 3.37 0 -11 3 125.45 11.77 0 11 -3 141.30 14.35 0 -11 3 99.95 10.90 0 -11 2 10.91 2.75 0 -11 2 15.54 4.24 0 11 -2 14.83 5.01 0 -11 2 12.68 3.97 0 -11 1 214.74 16.29 0 -11 1 170.34 12.75 0 11 -1 238.09 18.75 0 -11 1 190.58 15.89 0 -11 1 199.56 15.71 0 -11 0 56.59 5.70 0 -11 0 74.54 8.86 0 -11 0 62.63 8.01 0 11 0 90.41 10.34 0 -11 0 73.03 8.49 0 11 1 0.43 1.79 0 -11 -1 -0.50 2.42 0 11 1 -1.64 3.07 0 -11 -1 0.49 1.86 0 -11 -1 -2.70 2.43 0 11 2 25.20 4.65 0 11 2 26.90 5.42 0 -11 -2 22.25 5.39 0 -11 -2 18.73 4.58 0 -11 -3 4.00 3.13 0 11 3 7.56 2.84 0 -11 -3 7.02 3.14 0 -11 -4 142.89 14.30 0 -11 -4 148.97 15.51 0 11 4 160.44 13.21 0 -11 -4 151.46 13.85 0 11 5 115.86 10.55 0 -11 -5 97.50 12.26 0 -11 -5 94.00 11.53 0 11 5 101.20 9.59 0 -11 -5 105.62 11.15 0 -11 -6 13.68 4.94 0 11 6 13.02 3.33 0 -11 -6 12.48 4.07 0 11 6 16.53 4.08 0 -11 -6 9.34 4.61 0 11 7 2.64 1.90 0 -11 -7 5.04 2.93 0 11 7 3.43 2.55 0 11 8 123.15 11.03 0 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2 4 157.52 11.10 5 2 4 148.16 10.63 -5 -2 -4 133.53 10.30 5 2 4 136.88 10.36 -5 -2 -4 137.96 10.72 5 2 4 140.67 10.25 -5 -2 -5 4.16 1.71 5 2 5 5.40 1.54 5 2 5 6.51 1.90 -5 -2 -5 3.13 1.30 5 2 5 3.49 1.28 5 2 5 2.50 1.56 -5 -2 -5 6.30 1.77 5 2 5 6.94 1.87 5 2 5 2.62 2.09 5 2 6 31.38 3.51 5 2 6 23.64 4.17 5 2 6 30.08 4.26 -5 -2 -6 41.39 4.26 -5 -2 -6 31.98 4.46 5 2 6 32.77 4.21 5 2 6 32.10 4.52 5 2 7 306.51 17.24 -5 -2 -7 262.38 17.47 5 2 7 307.50 20.01 -5 -2 -7 329.64 20.04 5 2 7 282.54 19.26 5 2 7 335.06 18.72 -5 -2 -8 0.38 0.81 5 2 8 0.41 1.80 5 2 8 0.63 1.20 -5 -2 -8 4.61 2.57 5 2 8 0.37 1.33 -5 -2 -8 0.38 1.67 5 2 8 0.63 1.08 5 2 9 128.50 10.98 -5 -2 -9 129.49 11.77 5 2 9 137.97 11.83 5 2 9 141.62 12.47 -5 -2 -9 107.68 11.58 5 2 10 1.01 1.71 5 2 10 0.81 1.52 -5 -2 -10 4.88 2.94 -5 -2 -10 1.90 2.24 5 2 10 3.17 2.16 5 2 10 3.38 2.30 5 2 10 1.30 0.99 5 2 11 72.66 5.83 -5 -2 -11 71.21 5.86 5 2 11 77.75 9.54 5 2 11 73.35 8.46 5 2 11 85.36 11.41 -5 -2 -11 98.17 10.88 -5 -2 -11 77.62 9.24 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337.59 21.03 5 3 4 325.29 20.64 5 3 4 331.68 20.92 -5 -3 -4 332.49 21.63 5 3 4 335.89 21.10 -5 -3 -4 326.37 21.61 5 3 4 349.04 21.74 5 3 5 61.53 7.25 -5 -3 -5 62.61 7.00 5 3 5 75.54 5.71 5 3 5 63.90 5.76 -5 -3 -5 63.51 6.17 -5 -3 -5 52.78 5.83 5 3 5 52.57 5.68 -5 -3 -5 54.77 6.14 5 3 5 63.51 6.54 5 3 5 63.23 6.26 5 3 6 14.98 3.81 5 3 6 28.50 4.12 5 3 6 30.43 3.52 -5 -3 -6 20.88 3.26 5 3 6 14.87 3.55 -5 -3 -6 21.30 3.68 5 3 6 36.02 4.46 -5 -3 -6 17.64 3.56 5 3 6 36.68 4.24 -5 -3 -7 47.44 4.97 5 3 7 56.90 5.00 5 3 7 51.98 5.89 -5 -3 -7 55.63 6.35 5 3 7 56.03 5.51 -5 -3 -7 35.79 5.06 -5 -3 -7 53.12 6.35 5 3 7 57.31 6.46 -5 -3 -8 81.03 8.91 5 3 8 87.99 8.90 -5 -3 -8 90.78 8.93 5 3 8 88.78 8.60 -5 -3 -8 75.24 6.95 -5 -3 -9 272.35 16.94 5 3 9 322.05 20.78 -5 -3 -9 269.79 19.97 5 3 9 279.23 18.76 5 3 9 311.09 19.93 -5 -3 -9 326.67 20.65 5 3 10 9.14 3.20 5 3 10 9.19 2.83 -5 -3 -10 5.36 2.93 5 3 10 9.45 3.17 -5 -3 -10 14.71 3.92 5 3 10 6.40 1.60 -5 -3 -11 175.90 12.50 5 3 11 252.34 18.28 -5 -3 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274.55 21.23 5 4 4 322.51 19.36 5 4 4 265.63 19.35 -5 -4 -4 311.55 20.04 5 4 4 318.91 18.15 5 4 4 304.05 18.76 -5 -4 -4 311.97 19.13 5 4 4 318.28 19.35 -5 -4 -4 298.73 19.93 -5 -4 -5 437.79 28.05 5 4 5 322.16 25.61 -5 -4 -5 390.62 26.56 5 4 5 423.33 26.02 5 4 5 412.10 25.65 -5 -4 -5 420.42 26.03 -5 -4 -5 426.06 26.31 5 4 5 450.73 25.85 -5 -4 -6 101.19 9.09 5 4 6 62.85 7.14 -5 -4 -6 64.97 7.64 5 4 6 93.26 6.66 5 4 6 72.95 7.34 -5 -4 -6 66.92 7.35 5 4 6 80.19 7.06 -5 -4 -6 88.56 7.71 -5 -4 -7 232.67 16.32 5 4 7 290.93 16.54 5 4 7 168.01 16.43 5 4 7 263.59 17.42 -5 -4 -7 291.44 18.47 5 4 7 284.67 18.08 -5 -4 -7 268.67 17.91 -5 -4 -7 202.19 16.59 -5 -4 -8 393.61 25.57 5 4 8 425.15 27.21 5 4 8 464.80 28.06 -5 -4 -8 506.36 28.80 -5 -4 -8 437.31 27.76 -5 -4 -8 380.85 25.95 -5 -4 -9 125.47 10.27 5 4 9 137.96 12.46 -5 -4 -9 160.62 13.40 5 4 9 142.16 12.12 -5 -4 -9 143.38 12.59 5 4 9 124.12 9.65 -5 -4 -10 1.59 2.71 5 4 10 0.80 1.60 -5 -4 -10 1.51 2.20 5 4 10 1.36 1.83 5 4 10 1.02 1.95 -5 -4 -11 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63.64 8.66 10 2 3 62.39 5.91 10 2 4 4.69 4.55 10 2 4 -0.54 2.79 10 2 4 -0.50 1.30 10 2 4 1.62 2.61 10 2 4 -0.94 1.69 -10 -2 -4 -0.76 2.57 10 2 4 -0.59 1.96 10 2 5 14.92 4.49 -10 -2 -5 8.18 4.25 10 2 5 11.73 2.87 10 2 5 6.53 3.89 10 2 5 7.65 3.51 10 2 5 7.22 2.51 10 2 5 8.35 5.08 10 2 6 4.69 2.62 10 2 6 3.17 1.74 10 2 6 2.28 2.85 10 2 6 1.84 3.25 10 2 6 6.63 3.37 10 2 6 2.33 3.08 10 2 7 0.83 3.29 10 2 7 2.68 1.98 10 2 7 2.43 2.52 10 2 7 3.54 3.30 10 2 8 32.68 4.69 10 2 8 32.11 7.85 10 2 9 0.96 3.56 10 2 9 -0.34 1.68 10 2 9 2.94 2.63 10 2 9 0.90 3.72 10 2 10 12.70 4.17 10 2 10 6.33 4.80 10 2 10 11.23 4.29 10 2 10 14.77 4.54 10 2 11 10.67 3.85 10 2 11 0.92 4.12 10 2 11 6.15 3.67 10 2 11 3.65 2.82 10 2 11 6.57 3.59 10 2 11 5.58 2.27 10 2 12 7.42 3.86 10 2 12 4.07 2.61 10 2 12 -1.85 3.80 10 2 13 -4.03 3.79 10 2 13 0.79 1.72 10 2 13 0.95 4.04 10 2 14 3.49 3.95 10 2 14 4.20 2.06 10 2 14 4.77 4.95 10 2 14 8.83 4.72 10 2 15 0.94 3.51 10 2 15 0.63 1.46 10 2 15 -0.94 4.11 10 2 15 -1.76 3.29 10 2 16 5.00 4.49 10 2 16 -0.96 3.57 10 2 16 3.38 2.08 10 2 17 6.28 5.34 10 2 17 0.45 2.08 -10 -3 13 -1.26 4.83 -10 -3 12 -1.25 4.60 -10 -3 11 -2.47 4.81 -10 -3 10 39.78 5.69 -10 -3 10 9.65 6.67 -10 -3 9 6.74 2.68 -10 -3 9 4.71 5.50 -10 -3 8 24.60 4.26 -10 -3 8 21.76 8.07 -10 -3 7 4.20 2.23 -10 -3 6 138.98 10.45 -10 -3 6 96.00 15.37 -10 -3 5 30.41 8.47 -10 -3 5 37.53 4.74 -10 -3 4 7.14 5.19 -10 -3 4 11.69 2.82 10 3 -3 36.79 4.89 -10 -3 3 44.34 5.03 -10 -3 3 32.81 8.77 -10 -3 3 37.08 7.31 -10 -3 2 5.96 3.64 10 3 -2 6.10 2.68 -10 -3 2 11.23 2.59 -10 -3 2 0.97 3.27 10 3 -2 4.36 3.51 -10 -3 1 183.56 16.19 10 3 -1 173.70 14.73 -10 -3 1 218.17 13.85 -10 -3 1 148.76 18.28 10 3 -1 191.89 17.84 -10 -3 0 126.04 12.47 10 3 0 142.68 12.72 -10 -3 0 138.72 10.63 -10 -3 0 103.43 14.58 10 3 0 144.58 14.62 -10 -3 -1 1.02 2.51 10 3 1 3.61 1.79 -10 -3 -1 5.40 2.14 10 3 1 2.11 2.74 -10 -3 -1 0.90 2.80 10 3 1 0.66 2.60 10 3 2 0.96 3.68 -10 -3 -2 11.88 3.84 10 3 2 16.41 2.91 -10 -3 -2 20.65 3.81 10 3 2 16.77 4.76 10 3 2 18.59 2.68 10 3 2 13.04 4.59 -10 -3 -2 12.18 5.12 -10 -3 -3 -0.84 3.21 10 3 3 2.41 2.49 -10 -3 -3 2.66 2.39 10 3 3 2.89 1.65 10 3 3 0.95 3.58 10 3 3 -0.63 2.61 10 3 3 2.09 1.41 10 3 3 2.32 2.52 10 3 4 284.98 20.43 -10 -3 -4 232.09 21.44 10 3 4 265.67 16.08 10 3 4 237.70 15.83 10 3 4 252.24 18.97 10 3 4 216.99 18.76 10 3 5 255.69 15.44 10 3 5 247.75 15.56 10 3 5 235.09 18.23 -10 -3 -5 212.42 19.56 10 3 6 3.55 2.91 10 3 6 0.78 2.57 10 3 6 0.94 3.88 10 3 6 -0.62 3.09 10 3 6 2.63 1.78 -10 -3 -6 0.75 2.53 10 3 6 2.94 2.54 10 3 7 73.90 10.95 10 3 7 68.78 8.50 10 3 7 83.61 8.24 10 3 8 42.47 8.59 10 3 8 11.97 5.81 10 3 8 21.16 5.59 10 3 8 33.48 5.96 10 3 8 42.74 5.63 10 3 9 13.77 5.99 10 3 9 24.21 5.33 10 3 9 37.69 8.39 10 3 9 36.41 6.72 10 3 9 29.73 4.87 10 3 10 -0.92 4.13 10 3 10 6.58 3.72 10 3 10 6.43 2.71 10 3 10 5.69 3.60 10 3 11 -0.92 4.27 10 3 11 -0.52 2.72 10 3 11 -0.34 1.74 10 3 11 -0.65 2.70 10 3 11 -0.53 2.43 10 3 12 22.99 4.81 10 3 12 17.57 5.12 10 3 12 17.03 5.31 10 3 12 7.74 3.73 10 3 13 12.41 4.80 10 3 13 18.54 5.54 10 3 13 1.84 3.95 10 3 13 12.16 3.62 10 3 14 65.72 10.47 10 3 14 64.59 10.29 10 3 14 35.63 5.09 10 3 15 1.83 4.27 10 3 15 -0.88 3.10 10 3 15 3.01 1.67 10 3 16 34.52 8.57 10 3 16 28.34 4.23 10 3 17 12.42 5.87 10 3 17 4.42 2.18 -10 -4 13 1.39 4.44 -10 -4 12 4.11 5.29 -10 -4 11 10.72 6.81 -10 -4 10 1.30 3.95 -10 -4 10 4.43 2.50 -10 -4 9 15.15 7.24 -10 -4 9 14.97 3.90 -10 -4 8 -1.22 5.29 -10 -4 8 2.25 2.25 -10 -4 7 -0.35 1.96 -10 -4 6 16.03 6.91 -10 -4 6 4.69 2.50 -10 -4 5 3.35 4.76 -10 -4 5 33.71 4.81 -10 -4 4 96.22 14.71 10 4 -4 89.82 7.71 10 4 -3 6.34 2.52 -10 -4 3 7.27 2.54 -10 -4 3 7.35 5.16 -10 -4 3 6.52 4.05 10 4 -2 18.01 4.12 -10 -4 2 21.35 6.99 -10 -4 2 26.58 4.28 -10 -4 2 5.98 3.73 -10 -4 1 2.61 2.00 -10 -4 1 6.95 4.54 10 4 -1 3.49 3.37 -10 -4 1 4.35 3.31 -10 -4 0 75.40 7.52 -10 -4 0 62.23 8.23 -10 -4 0 53.18 10.33 10 4 0 72.33 9.92 -10 -4 -1 213.76 14.53 10 4 1 167.75 12.97 -10 -4 -1 205.61 16.02 10 4 1 174.96 10.22 -10 -4 -1 177.17 19.19 10 4 1 181.63 16.88 -10 -4 -2 40.58 5.74 10 4 2 35.34 4.81 -10 -4 -2 45.31 6.60 10 4 2 43.33 3.93 -10 -4 -2 41.40 8.93 10 4 2 55.65 8.11 -10 -4 -3 125.17 10.74 -10 -4 -3 97.92 10.20 10 4 3 111.06 9.13 10 4 3 121.01 8.52 10 4 3 102.00 11.51 -10 -4 -3 82.13 12.60 -10 -4 -4 128.59 16.36 10 4 4 130.75 14.59 -10 -4 -4 187.83 14.46 10 4 4 189.12 12.61 10 4 4 194.19 13.18 -10 -4 -4 167.51 15.81 10 4 4 167.89 14.97 -10 -4 -5 30.66 6.09 10 4 5 27.07 4.37 10 4 5 36.17 6.98 -10 -4 -5 32.44 7.40 10 4 5 29.11 5.88 -10 -4 -6 28.78 5.89 10 4 6 25.50 4.43 10 4 6 31.14 6.87 -10 -4 -6 39.04 7.71 10 4 6 29.91 6.11 -10 -4 -7 26.92 6.98 10 4 7 24.99 6.34 10 4 7 28.53 4.95 -10 -4 -7 34.75 6.16 10 4 7 27.21 4.97 10 4 7 31.83 5.92 -10 -4 -8 30.79 7.03 10 4 8 47.52 7.47 10 4 8 44.74 6.33 10 4 8 41.15 5.83 10 4 8 39.54 6.40 10 4 9 177.66 15.27 -10 -4 -9 143.09 13.61 10 4 9 143.14 12.25 10 4 9 135.42 12.88 10 4 10 229.35 18.07 10 4 10 178.57 15.87 -10 -4 -10 186.98 16.49 10 4 10 218.00 15.75 10 4 11 44.22 7.13 10 4 11 46.02 7.51 10 4 11 33.19 5.42 -10 -4 -11 46.71 6.89 10 4 11 40.72 6.85 10 4 12 17.98 4.41 10 4 12 17.55 5.35 -10 -4 -12 9.76 3.47 10 4 12 13.21 4.25 10 4 13 24.76 6.12 10 4 13 23.69 6.19 10 4 13 18.14 4.26 10 4 14 27.88 7.06 10 4 14 36.29 7.91 10 4 14 19.35 3.95 10 4 15 10.70 4.87 10 4 15 18.38 6.00 10 4 15 7.69 2.63 10 4 16 11.59 5.64 10 4 16 12.33 5.41 10 4 16 7.18 2.18 -10 -5 11 -1.45 4.35 -10 -5 10 12.65 7.79 -10 -5 9 1.37 2.13 -10 -5 9 5.46 5.36 -10 -5 8 0.85 2.36 -10 -5 8 2.64 4.66 -10 -5 7 2.01 2.20 -10 -5 6 0.39 2.28 -10 -5 6 3.70 5.99 -10 -5 5 -0.37 1.73 -10 -5 5 -1.20 4.26 -10 -5 4 21.08 4.32 -10 -5 4 11.55 6.41 10 5 -4 17.14 3.39 -10 -5 3 2.24 4.24 -10 -5 3 1.12 1.73 -10 -5 2 38.02 9.68 -10 -5 2 79.89 8.01 -10 -5 1 5.25 4.64 -10 -5 1 13.11 3.41 10 5 0 6.04 3.93 -10 -5 0 5.10 4.50 -10 -5 0 10.29 3.38 -10 -5 -1 -0.99 4.18 -10 -5 -1 2.88 2.36 10 5 1 0.33 1.51 -10 -5 -1 -2.13 3.49 10 5 1 1.28 2.88 -10 -5 -2 13.54 5.54 -10 -5 -2 18.88 4.26 10 5 2 13.80 3.34 10 5 2 17.95 2.27 -10 -5 -2 13.22 4.66 10 5 2 9.13 3.95 -10 -5 -3 5.65 3.97 -10 -5 -3 1.34 2.10 10 5 3 2.52 1.84 10 5 3 5.23 1.65 -10 -5 -3 2.72 2.74 10 5 3 6.79 3.16 -10 -5 -4 80.07 8.97 10 5 4 68.53 9.85 10 5 4 78.84 9.23 -10 -5 -4 63.06 9.44 -10 -5 -4 66.94 11.24 10 5 4 74.72 6.70 -10 -5 -5 17.32 4.96 10 5 5 10.14 4.70 10 5 5 22.20 3.71 -10 -5 -5 19.52 6.33 10 5 6 85.27 8.16 -10 -5 -6 82.87 10.34 -10 -5 -6 58.90 10.41 10 5 6 66.29 10.33 -10 -5 -7 9.82 4.67 10 5 7 11.72 3.55 -10 -5 -7 11.58 4.19 10 5 8 12.74 4.20 10 5 8 9.82 3.30 10 5 8 8.05 2.95 10 5 8 0.47 2.92 10 5 9 0.58 2.38 10 5 9 5.05 3.28 10 5 9 1.49 1.99 10 5 9 2.99 2.43 -10 -5 -9 4.62 3.09 10 5 10 7.31 3.41 10 5 10 5.26 2.95 10 5 10 8.06 3.64 10 5 10 8.45 3.97 -10 -5 -10 6.20 3.49 10 5 11 37.08 7.00 10 5 11 32.34 6.14 10 5 11 38.89 6.15 -10 -5 -11 37.78 6.75 10 5 11 39.49 6.93 10 5 12 3.02 2.97 10 5 12 0.51 2.72 -10 -5 -12 1.07 1.89 10 5 13 -1.75 1.97 10 5 13 -1.52 3.17 -10 -5 -13 1.54 2.48 10 5 14 1.10 1.57 10 5 14 -0.80 3.89 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10.57 10 6 4 86.42 11.19 -10 -6 -4 83.36 11.18 -10 -6 -4 68.95 11.90 10 6 5 8.09 3.47 -10 -6 -5 10.40 4.32 -10 -6 -5 4.71 3.80 10 6 5 10.28 2.53 10 6 5 5.68 3.97 -10 -6 -6 84.26 11.04 -10 -6 -6 70.36 11.74 10 6 7 5.11 2.84 -10 -6 -7 3.28 3.12 -10 -6 -7 1.76 3.52 10 6 7 8.56 2.75 10 6 8 18.75 4.30 10 6 8 15.44 3.96 10 6 8 10.03 3.72 10 6 9 22.46 5.24 10 6 9 14.69 4.22 10 6 9 29.44 5.36 10 6 9 27.57 5.43 10 6 9 24.76 5.44 10 6 10 1.14 2.43 -10 -6 -10 0.78 2.76 10 6 10 -0.57 2.77 10 6 10 1.33 2.62 10 6 10 1.93 2.38 10 6 10 0.54 2.05 -10 -6 -10 -0.61 2.56 10 6 11 34.50 6.64 10 6 11 39.56 6.40 10 6 11 44.25 7.48 10 6 11 41.78 7.55 10 6 11 41.21 6.66 -10 -6 -11 36.59 7.10 10 6 12 10.90 4.63 10 6 12 10.48 3.77 -10 -6 -12 8.19 3.62 10 6 12 11.06 3.87 10 6 13 7.49 3.45 10 6 13 2.23 3.35 -10 -6 -13 1.15 2.37 10 6 14 1.53 2.01 10 6 14 1.01 2.89 -10 -6 -14 -0.56 2.19 10 6 14 -0.81 3.18 10 6 15 1.52 1.77 -10 -6 -15 4.82 2.65 10 6 16 7.36 2.26 10 6 16 11.28 5.22 -10 -6 -16 5.92 3.28 -10 -7 9 1.62 5.28 -10 -7 6 4.35 5.13 -10 -7 5 34.27 5.76 -10 -7 5 15.38 7.56 -10 -7 4 -0.48 2.03 -10 -7 4 2.68 5.06 -10 -7 3 28.46 6.82 -10 -7 3 21.94 8.34 -10 -7 2 57.37 8.39 -10 -7 2 46.03 11.03 -10 -7 2 63.03 8.14 -10 -7 1 3.09 3.18 -10 -7 1 3.54 3.54 -10 -7 1 7.22 5.89 -10 -7 1 2.55 2.76 -10 -7 0 26.44 5.38 -10 -7 0 20.95 7.77 -10 -7 0 33.03 7.66 -10 -7 0 31.41 6.04 -10 -7 -1 11.16 3.98 10 7 1 1.22 2.18 -10 -7 -1 9.30 4.54 -10 -7 -1 1.62 2.93 -10 -7 -1 9.04 5.54 -10 -7 -2 179.80 15.10 10 7 2 161.22 12.76 -10 -7 -2 147.25 12.47 -10 -7 -2 155.61 16.59 -10 -7 -3 276.67 20.45 10 7 3 231.82 17.67 -10 -7 -3 257.91 17.59 10 7 3 245.12 15.23 -10 -7 -3 225.85 21.46 -10 -7 -3 200.23 22.83 10 7 4 5.08 1.94 -10 -7 -4 5.94 3.54 -10 -7 -4 -0.77 3.22 -10 -7 -4 7.29 4.76 -10 -7 -5 11.99 4.65 10 7 5 10.88 2.77 -10 -7 -6 5.12 3.83 -10 -7 -6 1.95 4.10 10 7 6 10.73 2.95 10 7 7 48.53 7.21 -10 -7 -7 52.20 8.93 -10 -7 -7 62.70 7.53 10 7 7 58.61 6.99 -10 -7 -7 37.73 8.84 10 7 8 53.07 7.06 10 7 8 48.82 7.27 10 7 9 46.72 7.27 10 7 9 38.25 6.56 10 7 9 47.08 6.95 -10 -7 -9 36.96 6.58 -10 -7 -9 38.75 8.76 10 7 9 29.63 6.20 10 7 10 45.17 7.21 -10 -7 -10 16.33 5.68 10 7 10 45.61 7.35 10 7 10 22.24 5.10 10 7 10 48.86 7.40 -10 -7 -10 43.56 7.55 -10 -7 -10 27.47 6.52 10 7 10 44.19 6.98 10 7 11 83.63 10.07 10 7 11 34.12 6.14 10 7 11 53.01 8.09 10 7 11 65.73 8.48 -10 -7 -11 44.05 7.89 10 7 12 10.96 4.40 10 7 12 3.03 2.98 10 7 12 15.78 4.82 -10 -7 -12 6.44 3.34 10 7 12 9.58 3.45 10 7 13 25.01 5.09 10 7 13 34.38 7.62 10 7 13 16.70 4.52 10 7 13 36.54 7.47 -10 -7 -13 17.14 5.25 10 7 14 -1.20 2.43 10 7 14 0.49 2.71 10 7 14 -0.81 3.50 -10 -7 -14 0.62 2.31 10 7 15 18.52 3.61 -10 -7 -15 17.67 4.91 -10 -7 -16 11.74 4.10 -10 -8 6 -1.58 5.58 -10 -8 5 3.06 6.62 -10 -8 4 1.47 4.86 -10 -8 3 -1.41 4.99 -10 -8 3 0.62 3.09 -10 -8 2 2.70 5.10 -10 -8 2 2.78 2.89 -10 -8 2 4.91 4.63 -10 -8 2 15.05 4.60 -10 -8 1 44.28 7.17 -10 -8 1 27.75 5.68 -10 -8 1 42.28 9.35 -10 -8 0 17.55 7.34 -10 -8 0 29.61 6.18 -10 -8 0 20.28 4.71 -10 -8 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3.35 2.39 11 1 13 -1.11 4.51 11 1 13 2.93 3.31 11 1 14 3.85 4.17 11 1 14 2.15 2.14 11 1 14 5.67 5.84 11 1 14 4.01 4.25 11 1 15 4.10 4.24 11 1 15 6.34 2.66 11 1 15 6.97 5.78 11 1 16 1.09 4.47 11 1 16 -0.38 1.46 11 1 17 1.40 1.97 -11 -2 13 1.25 4.52 -11 -2 12 17.41 7.30 -11 -2 11 7.39 5.85 -11 -2 10 3.64 4.49 -11 -2 9 26.40 4.00 -11 -2 9 14.32 7.05 -11 -2 8 0.49 1.53 -11 -2 8 1.17 3.85 -11 -2 7 10.10 2.55 -11 -2 7 9.16 6.10 -11 -2 6 25.65 3.61 -11 -2 5 10.75 2.40 -11 -2 5 13.78 5.43 -11 -2 5 10.95 6.03 -11 -2 4 17.68 2.88 -11 -2 4 9.06 4.83 -11 -2 4 17.14 6.66 -11 -2 3 27.24 8.16 -11 -2 3 27.13 6.91 -11 -2 2 13.57 2.60 -11 -2 2 9.21 5.53 -11 -2 2 13.49 4.78 11 2 -2 10.57 3.34 -11 -2 1 6.78 2.01 11 2 -1 2.32 2.46 -11 -2 1 1.00 3.09 -11 -2 1 1.20 2.85 -11 -2 0 108.61 11.64 11 2 0 107.86 11.14 11 2 0 95.35 6.34 -11 -2 0 83.35 12.95 11 2 0 93.08 12.63 -11 -2 -1 36.09 6.73 11 2 1 24.90 3.47 11 2 1 30.06 6.45 -11 -2 -1 24.53 7.10 11 2 1 38.65 7.45 11 2 1 40.39 7.92 11 2 2 59.89 5.58 -11 -2 -2 62.10 8.17 11 2 2 68.15 9.53 11 2 2 54.95 9.20 11 2 2 59.12 9.14 -11 -2 -2 60.54 10.49 -11 -2 -3 151.25 16.51 11 2 3 154.17 14.72 -11 -2 -3 123.81 12.23 11 2 3 125.86 9.41 11 2 3 133.76 14.45 11 2 3 134.25 10.31 11 2 3 122.53 13.79 11 2 4 4.73 3.16 -11 -2 -4 6.08 4.28 11 2 4 8.53 2.34 11 2 4 8.48 3.86 11 2 4 11.36 3.04 11 2 4 -2.16 4.47 11 2 5 146.78 13.76 11 2 5 181.39 11.78 11 2 5 169.87 12.51 11 2 5 182.84 15.88 11 2 6 56.08 9.33 11 2 6 139.30 9.95 11 2 6 25.44 8.45 11 2 6 92.16 9.83 11 2 6 129.18 12.82 11 2 7 1.20 2.88 11 2 7 -0.93 3.66 11 2 7 1.22 1.92 11 2 7 -0.49 2.13 11 2 7 -0.45 2.02 11 2 8 3.48 3.22 11 2 8 1.35 2.21 11 2 8 2.98 3.90 11 2 8 2.71 2.47 11 2 8 2.44 1.90 11 2 9 1.14 2.44 11 2 9 2.10 4.31 11 2 9 2.49 2.67 11 2 9 3.36 2.87 11 2 9 2.31 1.79 11 2 10 25.96 5.55 11 2 10 27.50 6.04 11 2 10 7.38 5.60 11 2 10 15.49 4.88 11 2 10 15.59 3.70 11 2 11 74.46 9.59 11 2 11 111.39 11.39 11 2 11 106.73 11.22 11 2 11 85.17 7.97 11 2 12 1.51 1.49 11 2 12 -1.10 2.06 11 2 12 2.17 4.61 11 2 12 3.35 2.91 11 2 13 6.28 3.20 11 2 13 -1.11 4.69 11 2 13 12.88 5.16 11 2 14 7.26 2.98 11 2 14 4.48 4.91 11 2 14 8.37 5.08 11 2 15 -0.38 1.63 11 2 15 3.35 5.22 11 2 15 -1.00 4.31 11 2 16 0.70 1.61 11 2 16 2.14 4.39 11 2 17 2.55 1.94 -11 -3 12 -1.35 4.62 -11 -3 10 14.42 7.43 -11 -3 9 8.97 5.95 -11 -3 8 15.74 3.40 -11 -3 8 6.25 5.65 -11 -3 7 116.09 9.68 -11 -3 6 1.39 1.65 -11 -3 5 7.82 2.42 -11 -3 5 18.50 7.43 -11 -3 4 -0.80 1.51 -11 -3 4 4.51 4.71 -11 -3 4 -0.76 4.07 11 3 -3 20.38 3.86 -11 -3 3 30.07 4.23 -11 -3 3 21.04 6.01 11 3 -2 116.10 10.90 -11 -3 2 146.05 10.37 -11 -3 2 106.39 15.68 -11 -3 2 114.05 13.05 11 3 -1 74.82 9.15 -11 -3 1 84.75 7.68 -11 -3 1 68.19 12.28 -11 -3 1 87.56 10.38 11 3 0 2.17 2.54 -11 -3 0 2.96 1.82 -11 -3 0 2.05 3.43 -11 -3 0 5.75 3.57 11 3 1 44.12 5.12 -11 -3 -1 39.45 7.09 -11 -3 -1 55.14 5.99 11 3 1 30.38 6.61 -11 -3 -1 35.92 8.55 11 3 1 31.68 7.20 11 3 2 212.20 14.72 -11 -3 -2 228.55 17.93 11 3 2 194.63 18.23 11 3 2 235.79 13.92 11 3 2 241.88 20.31 11 3 3 112.58 12.69 -11 -3 -3 93.62 13.55 11 3 3 69.50 13.27 11 3 3 97.51 8.44 -11 -3 -3 129.05 11.72 11 3 3 113.79 12.94 11 3 3 104.34 8.44 11 3 3 124.36 13.17 -11 -3 -4 0.91 3.45 11 3 4 -0.68 2.52 11 3 4 -0.56 1.53 11 3 4 1.50 3.10 11 3 4 2.57 3.39 11 3 4 0.59 1.54 11 3 4 5.44 4.88 11 3 5 5.74 2.14 11 3 5 1.09 4.48 11 3 5 0.80 3.17 11 3 5 5.56 2.37 -11 -3 -5 0.88 3.70 11 3 5 8.03 3.89 11 3 6 7.29 2.54 11 3 6 3.02 2.44 11 3 6 1.08 3.56 11 3 6 7.94 2.71 11 3 6 6.02 3.52 -11 -3 -6 3.43 3.27 11 3 7 160.60 12.38 11 3 7 152.27 12.67 11 3 7 123.04 11.68 11 3 8 156.12 15.06 11 3 8 189.72 14.03 11 3 8 160.86 14.48 11 3 8 183.41 14.38 11 3 8 134.54 12.09 11 3 9 2.69 2.75 11 3 9 4.56 2.86 11 3 9 1.12 2.86 11 3 9 1.06 3.72 11 3 9 1.67 1.99 11 3 9 0.81 1.74 11 3 10 118.86 11.41 11 3 10 100.39 9.13 11 3 10 116.17 12.16 11 3 11 13.40 3.54 11 3 11 6.83 4.04 11 3 11 2.14 4.95 11 3 11 10.41 4.02 11 3 12 8.61 5.77 11 3 12 11.26 4.14 11 3 12 10.03 2.90 11 3 13 5.38 5.02 11 3 13 51.84 7.09 11 3 14 4.26 5.78 11 3 14 1.72 2.08 11 3 15 44.64 6.29 11 3 15 73.67 11.66 11 3 16 18.92 3.78 11 3 16 22.00 7.41 -11 -4 11 4.34 5.85 -11 -4 10 -2.82 5.49 -11 -4 8 -1.13 2.33 -11 -4 8 1.33 4.06 -11 -4 7 10.68 3.08 -11 -4 6 1.02 2.00 -11 -4 6 -3.76 4.96 -11 -4 5 15.80 7.52 -11 -4 4 3.65 2.17 -11 -4 4 2.36 4.21 -11 -4 4 2.28 3.71 -11 -4 3 10.35 5.65 -11 -4 3 9.10 4.45 11 4 -3 8.70 2.80 -11 -4 2 4.71 2.37 -11 -4 2 4.49 5.30 -11 -4 2 5.14 3.63 11 4 -2 3.29 2.35 -11 -4 1 2.43 1.89 -11 -4 1 4.39 4.60 -11 -4 1 5.97 3.69 11 4 -1 2.88 2.61 -11 -4 0 2.14 4.29 -11 -4 0 1.44 1.96 11 4 0 -0.54 2.13 -11 -4 -1 1.50 1.74 11 4 1 -0.60 2.60 -11 -4 -1 -1.05 3.51 11 4 1 1.55 1.88 11 4 2 0.60 1.48 -11 -4 -2 0.39 1.84 11 4 2 -0.66 3.29 11 4 2 2.58 1.12 -11 -4 -2 2.04 4.09 11 4 2 -0.71 2.79 -11 -4 -3 37.42 5.79 11 4 3 37.41 4.93 -11 -4 -3 35.73 8.57 11 4 3 33.14 7.12 11 4 3 42.62 4.36 11 4 4 64.26 6.20 11 4 4 63.10 6.58 -11 -4 -5 21.31 6.69 11 4 5 14.33 4.46 11 4 5 19.43 3.65 11 4 5 13.01 3.34 11 4 6 41.76 5.61 11 4 6 26.89 5.46 11 4 6 38.07 7.03 11 4 7 43.52 6.21 11 4 7 33.77 5.90 -11 -4 -7 40.92 8.64 11 4 7 46.61 6.36 11 4 8 2.66 2.95 11 4 8 -0.57 3.94 11 4 8 4.79 2.70 11 4 8 -0.88 1.73 11 4 8 -0.47 2.51 11 4 9 31.83 6.67 11 4 9 36.51 6.87 11 4 9 39.42 6.58 11 4 9 30.40 5.46 11 4 9 40.22 6.65 11 4 10 32.25 6.80 11 4 10 26.54 5.85 11 4 10 32.44 6.28 11 4 10 34.07 5.56 11 4 11 11.94 4.26 11 4 11 19.69 4.53 11 4 11 20.82 5.37 11 4 11 21.33 5.39 11 4 12 130.00 13.02 11 4 12 121.74 11.27 11 4 13 -0.51 2.31 11 4 14 4.85 2.69 11 4 15 2.25 2.32 11 4 16 2.23 1.75 -11 -5 9 -1.47 5.43 -11 -5 8 1.32 2.42 -11 -5 7 -0.42 2.21 -11 -5 6 7.98 6.23 -11 -5 6 6.84 2.79 -11 -5 5 51.41 12.08 -11 -5 5 58.41 7.09 -11 -5 4 3.73 5.42 -11 -5 4 7.10 3.08 11 5 -4 3.59 1.98 -11 -5 3 2.41 4.03 -11 -5 3 9.92 3.26 11 5 -3 4.20 2.35 -11 -5 2 11.74 6.17 -11 -5 2 23.63 4.61 11 5 -2 16.46 4.30 -11 -5 1 27.43 8.65 -11 -5 1 27.09 5.00 -11 -5 0 3.35 4.69 -11 -5 0 3.81 2.68 11 5 1 5.94 2.42 -11 -5 -1 1.09 4.37 -11 -5 -1 2.63 2.25 11 5 2 1.02 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16 7.20 2.62 -11 -6 9 3.15 6.13 -11 -6 8 19.89 9.12 -11 -6 7 0.96 2.08 -11 -6 6 15.69 7.65 -11 -6 6 29.76 5.34 -11 -6 5 8.30 6.28 -11 -6 5 16.46 4.12 11 6 -4 3.21 2.14 -11 -6 4 5.47 2.63 -11 -6 4 2.67 5.55 -11 -6 4 9.75 4.79 -11 -6 3 58.13 7.49 -11 -6 3 42.56 11.26 -11 -6 3 39.16 8.13 -11 -6 2 1.40 2.44 -11 -6 2 -6.25 4.16 -11 -6 2 1.25 2.94 -11 -6 1 43.52 11.19 -11 -6 1 50.83 8.13 -11 -6 0 30.68 9.77 -11 -6 0 56.91 8.26 -11 -6 -1 48.93 7.36 -11 -6 -1 36.81 9.56 -11 -6 -1 46.49 7.49 11 6 1 41.07 5.87 -11 -6 -2 2.59 2.80 -11 -6 -2 1.90 2.39 11 6 2 1.51 1.78 -11 -6 -2 0.82 2.75 -11 -6 -2 7.83 5.10 11 6 3 4.60 2.47 -11 -6 -3 1.34 2.33 11 6 3 5.28 1.75 -11 -6 -3 4.02 3.52 -11 -6 -3 1.10 3.92 -11 -6 -4 67.95 8.78 11 6 4 64.04 7.38 11 6 4 58.93 5.75 -11 -6 -4 54.34 9.41 -11 -6 -4 50.47 10.86 -11 -6 -5 62.24 8.83 11 6 5 67.80 7.61 -11 -6 -5 71.55 10.44 -11 -6 -5 40.78 9.59 11 6 5 62.88 6.43 11 6 6 85.46 9.01 11 6 6 86.74 8.26 -11 -6 -6 74.92 10.78 -11 -6 -6 56.76 11.14 11 6 7 5.98 2.76 11 6 7 5.61 3.18 -11 -6 -7 4.38 3.57 11 6 7 6.69 3.19 -11 -6 -7 6.84 4.62 11 6 8 122.55 11.39 11 6 8 123.07 11.86 11 6 8 102.67 11.16 11 6 9 77.52 9.19 11 6 9 90.45 9.84 -11 -6 -9 72.18 10.38 -11 -6 -9 59.51 10.67 11 6 10 4.22 3.46 11 6 10 9.01 3.76 -11 -6 -10 10.18 4.36 11 6 10 10.23 3.63 11 6 11 3.79 3.18 11 6 11 3.62 3.24 11 6 11 3.72 2.91 -11 -6 -11 1.99 2.62 11 6 11 6.37 3.12 11 6 12 1.21 2.44 11 6 12 -1.03 2.74 -11 -6 -12 0.65 2.28 11 6 12 2.72 3.17 11 6 13 -0.53 2.85 11 6 13 0.74 2.78 -11 -6 -13 0.63 2.59 11 6 14 105.13 10.82 11 6 14 129.98 14.61 -11 -6 -15 19.19 5.02 11 6 15 25.68 7.19 11 6 16 7.63 2.54 -11 -7 8 8.28 7.07 -11 -7 6 7.72 6.38 -11 -7 5 -1.50 4.94 11 7 -5 -0.22 1.67 -11 -7 4 19.95 6.09 -11 -7 4 17.29 8.40 -11 -7 3 8.74 4.39 -11 -7 3 4.17 5.24 -11 -7 3 11.03 3.92 -11 -7 2 5.50 3.75 -11 -7 2 2.68 4.77 -11 -7 2 -0.54 2.27 -11 -7 1 1.68 2.90 -11 -7 1 1.30 4.63 -11 -7 1 1.63 2.41 -11 -7 0 1.06 2.67 -11 -7 0 0.93 3.52 -11 -7 0 -1.26 5.25 -11 -7 0 -0.56 2.92 -11 -7 -1 36.06 6.52 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61.03 8.33 14 5 9 8.01 3.64 14 5 9 11.73 4.29 14 5 10 -1.91 3.52 14 5 10 2.38 3.03 14 5 11 -0.70 3.25 14 5 11 1.89 2.80 14 5 12 3.86 3.57 14 5 12 8.73 4.14 14 5 13 14.40 5.74 14 5 13 11.64 4.90 14 5 13 19.49 5.58 14 5 14 6.47 4.93 14 5 14 6.52 3.86 14 5 15 -1.30 2.94 -14 -6 4 -1.76 4.18 -14 -6 3 4.17 4.36 -14 -6 2 2.40 4.07 -14 -6 1 1.56 5.11 -14 -6 1 -0.82 4.03 -14 -6 0 5.24 2.90 -14 -6 0 5.69 4.23 -14 -6 0 1.52 5.00 -14 -6 -1 9.78 3.84 14 6 1 5.76 4.34 -14 -6 -1 11.93 6.95 -14 -6 -1 4.52 3.41 -14 -6 -2 5.86 5.77 -14 -6 -2 3.72 3.36 -14 -6 -3 2.88 4.74 14 6 3 4.28 2.76 14 6 4 8.43 1.91 -14 -6 -4 7.02 5.81 14 6 4 8.54 3.27 14 6 5 1.98 1.64 -14 -6 -5 1.38 4.85 14 6 5 4.83 2.87 14 6 6 11.87 3.14 -14 -6 -6 5.38 5.32 14 6 6 11.16 3.91 14 6 7 5.72 2.63 14 6 8 11.32 4.36 14 6 8 11.11 3.99 14 6 9 1.77 3.01 14 6 9 -1.10 2.54 14 6 10 -1.24 3.05 14 6 10 -2.51 3.47 14 6 11 2.05 3.03 14 6 11 0.66 3.23 14 6 12 -0.69 2.82 14 6 13 -0.82 4.14 14 6 13 0.78 3.15 14 6 13 1.48 3.13 14 6 14 5.39 4.24 14 6 14 2.91 3.42 14 6 15 -0.66 2.65 -14 -7 4 1.72 4.05 -14 -7 3 29.23 7.64 -14 -7 2 0.79 3.34 -14 -7 1 18.16 6.29 -14 -7 0 6.04 3.80 -14 -7 -1 -1.56 4.74 -14 -7 -1 1.83 3.11 -14 -7 -2 16.81 8.08 -14 -7 -2 14.19 4.62 -14 -7 -3 1.50 5.27 14 7 3 1.90 2.56 -14 -7 -4 10.32 7.00 14 7 4 44.74 6.71 14 7 5 59.57 5.88 -14 -7 -5 47.56 11.87 14 7 5 68.82 8.86 14 7 6 1.22 1.68 -14 -7 -6 1.41 4.94 14 7 6 2.82 2.87 14 7 7 -1.18 2.62 14 7 7 0.76 1.81 14 7 8 2.29 2.18 -14 -7 -8 -1.34 4.98 14 7 8 0.61 3.02 14 7 9 13.34 4.23 -14 -7 -9 5.24 5.15 14 7 9 12.61 4.70 14 7 10 38.03 7.31 14 7 10 27.22 6.16 14 7 11 1.38 3.05 14 7 11 2.03 3.10 14 7 12 0.72 2.66 14 7 12 0.74 3.52 14 7 13 1.63 3.28 14 7 14 11.01 4.64 -14 -8 4 10.88 5.39 -14 -8 3 2.37 3.60 -14 -8 2 29.26 7.30 -14 -8 1 -0.73 3.10 -14 -8 0 10.72 4.27 -14 -8 -1 13.27 4.36 -14 -8 -2 23.48 5.41 -14 -8 -3 -1.57 5.85 -14 -8 -4 -1.55 5.42 14 8 4 1.65 2.62 -14 -8 -5 3.04 5.32 14 8 5 -0.58 2.59 14 8 6 58.93 8.86 14 8 6 55.45 6.26 14 8 7 58.36 9.05 14 8 8 -0.66 3.05 -14 -8 -8 -1.41 4.60 14 8 8 1.75 2.34 14 8 9 25.78 6.11 14 8 9 15.34 4.26 14 8 10 9.42 3.69 14 8 10 7.66 3.94 14 8 11 6.63 3.98 14 8 11 8.68 4.36 14 8 12 17.65 5.73 14 8 13 0.81 3.24 -14 -9 4 -1.63 4.02 -14 -9 3 0.77 3.21 -14 -9 1 3.29 3.58 -14 -9 0 -1.16 2.73 -14 -9 -1 1.08 2.37 14 9 4 -0.60 3.14 14 9 5 12.07 4.72 14 9 6 -1.35 3.21 14 9 7 0.70 2.73 -14 -9 -7 4.67 5.18 -14 -9 -7 -1.54 5.01 14 9 8 0.72 2.64 14 9 8 -0.43 2.77 -14 -9 -8 -1.15 3.99 -14 -9 -8 -1.49 5.19 14 9 9 3.02 2.74 -14 -9 -9 -1.45 4.69 -14 -9 -9 2.24 4.56 14 9 9 1.47 3.36 14 9 10 3.45 2.79 -14 -9 -10 -1.40 4.84 -14 -9 -10 1.10 3.29 14 9 10 1.49 3.42 -14 -9 -11 4.28 4.72 14 9 11 9.75 4.33 -14 -9 -12 3.14 4.57 14 9 12 2.89 3.28 -14 -9 -13 -1.02 3.67 14 9 13 -1.60 3.85 14 10 4 12.52 4.87 14 10 5 1.38 3.58 14 10 6 4.38 3.99 14 10 7 1.53 2.96 14 10 8 10.19 4.71 15 -6 7 39.34 9.08 15 -6 8 -1.05 2.89 15 -5 1 -2.01 3.74 15 -5 2 3.01 3.93 15 -5 3 7.01 4.66 15 -5 4 1.00 3.93 15 -5 5 -0.86 3.37 15 -5 6 7.26 4.49 15 -5 7 6.70 5.28 15 -5 8 2.01 4.94 15 -5 9 2.11 3.43 15 -4 -2 4.18 4.47 15 -4 -1 85.16 13.44 15 -4 0 22.75 7.66 -15 4 0 19.84 6.49 15 -4 1 14.38 6.40 -15 4 -1 9.12 4.97 15 -4 2 5.11 4.76 15 -4 3 3.05 4.38 15 -4 4 44.52 8.52 15 -4 4 48.48 10.00 15 -4 5 35.43 7.57 15 -4 5 19.02 6.48 15 -4 6 64.06 11.38 15 -4 7 45.52 9.67 15 -4 7 53.07 10.46 15 -4 8 0.97 4.61 15 -4 8 2.04 1.95 15 -4 9 31.68 8.77 15 -4 9 43.97 6.23 15 -4 10 -1.08 3.25 15 -4 10 -0.51 1.98 15 -4 11 6.72 3.57 15 -4 12 11.51 4.80 15 -4 13 1.69 3.06 15 -3 -2 7.43 5.27 15 -3 -1 13.69 5.87 -15 3 1 11.02 5.29 15 -3 0 28.21 8.13 -15 3 0 28.53 7.30 15 -3 1 40.91 6.88 15 -3 1 55.07 10.95 -15 3 -1 39.68 8.35 15 -3 2 1.78 2.54 15 -3 2 -5.16 4.97 15 -3 3 31.53 6.69 15 -3 3 38.97 9.37 15 -3 4 27.11 6.58 15 -3 4 26.57 7.96 15 -3 5 43.45 8.53 15 -3 5 62.85 11.57 15 -3 6 4.04 3.87 15 -3 6 3.55 1.30 15 -3 6 9.03 4.83 15 -3 7 0.49 1.35 15 -3 7 -0.99 3.02 15 -3 8 28.74 8.33 15 -3 8 30.20 4.90 15 -3 8 34.57 8.27 15 -3 9 50.62 10.18 15 -3 9 28.58 5.36 15 -3 9 46.33 9.61 15 -3 10 9.50 6.00 15 -3 10 17.85 4.39 15 -3 11 1.12 3.37 15 -3 11 3.47 2.73 15 -3 12 7.36 3.74 15 -3 13 32.52 7.20 15 -3 14 16.06 5.83 15 -2 -2 19.43 7.50 -15 2 2 18.52 6.76 15 -2 -1 0.74 2.08 15 -2 -1 -1.07 3.97 -15 2 1 -0.85 3.33 15 -2 0 5.47 2.84 15 -2 0 2.11 3.94 -15 2 0 4.91 4.55 15 -2 1 1.41 2.17 15 -2 1 3.14 4.51 -15 2 -1 4.00 4.22 15 -2 2 0.52 2.04 15 -2 2 2.07 4.08 -15 2 -2 0.81 3.63 15 -2 3 -1.15 2.84 15 -2 3 1.03 3.83 15 -2 4 -0.63 2.81 15 -2 4 -1.02 4.03 15 -2 5 7.57 4.36 15 -2 5 6.09 4.91 15 -2 6 37.52 8.07 15 -2 6 39.47 9.37 15 -2 7 -0.82 3.78 15 -2 7 0.26 1.32 15 -2 7 -1.00 3.95 15 -2 8 6.66 2.60 15 -2 8 3.97 3.70 15 -2 9 -3.79 5.86 15 -2 10 10.19 6.04 15 -2 10 7.81 3.36 15 -2 11 1.09 4.24 15 -2 11 3.35 2.64 15 -2 11 0.95 3.10 15 -2 12 -0.64 2.45 15 -2 13 2.18 2.93 15 -2 14 1.66 3.00 -15 1 2 7.59 5.53 -15 1 1 10.30 5.46 15 -1 0 18.85 4.00 -15 1 0 18.82 6.26 15 -1 1 33.22 5.48 -15 1 -1 26.99 7.09 15 -1 2 -1.35 2.79 -15 1 -2 -1.60 3.98 15 -1 3 5.57 3.08 15 -1 3 3.08 3.85 15 -1 4 15.21 4.88 15 -1 4 12.24 5.87 15 -1 5 11.84 4.40 15 -1 5 10.11 5.37 15 -1 6 28.74 6.81 15 -1 6 35.24 8.56 15 -1 7 6.76 4.76 15 -1 7 7.07 2.34 15 -1 7 7.02 4.34 15 -1 8 2.46 3.67 15 -1 8 2.89 2.09 15 -1 8 5.99 4.65 15 -1 10 -1.95 4.49 15 -1 10 2.95 2.56 15 -1 10 3.86 4.31 15 -1 11 5.26 4.48 15 -1 11 -1.10 2.43 15 -1 11 3.77 4.02 15 -1 12 -1.13 4.59 15 -1 12 0.62 2.50 15 -1 12 3.66 3.72 15 -1 13 2.09 2.68 15 -1 14 -1.57 3.42 -15 0 2 45.84 10.09 -15 0 1 7.83 4.85 -15 0 0 -0.82 3.96 15 0 1 3.40 2.19 -15 0 -1 -1.58 4.92 15 0 2 77.53 8.18 -15 0 -2 61.41 10.37 15 0 3 80.57 8.98 15 0 4 0.50 2.54 15 0 5 21.19 5.18 15 0 5 14.33 2.56 15 0 6 7.47 3.72 15 0 6 9.58 2.44 15 0 6 10.03 5.02 15 0 7 36.47 7.52 15 0 7 41.82 9.17 15 0 7 41.96 5.44 15 0 8 41.67 8.16 15 0 8 43.63 6.12 15 0 8 48.67 9.97 15 0 9 0.83 3.25 15 0 9 0.44 1.88 15 0 10 8.18 4.79 15 0 10 13.49 3.87 15 0 10 7.75 5.11 15 0 11 72.24 12.11 15 0 11 67.09 8.92 15 0 11 62.03 11.09 15 0 12 27.84 7.87 15 0 12 23.90 5.59 15 0 12 22.64 6.60 15 0 13 4.76 3.51 15 0 13 1.73 3.18 15 0 14 -1.51 3.17 -15 -1 3 -2.01 4.47 -15 -1 2 -2.01 4.83 -15 -1 1 20.29 6.74 -15 -1 0 22.76 6.49 -15 -1 -1 -0.78 3.90 15 1 1 8.93 2.14 15 1 2 9.59 5.57 15 1 2 7.14 2.61 -15 -1 -2 7.78 4.76 15 1 3 2.56 2.44 15 1 4 10.38 3.42 15 1 5 28.29 5.52 15 1 5 13.32 2.78 15 1 6 11.73 4.16 15 1 6 5.33 2.32 15 1 7 75.96 9.96 15 1 7 72.38 12.08 15 1 7 62.84 7.20 15 1 8 2.40 2.10 15 1 8 1.38 2.83 15 1 9 -0.46 2.03 15 1 9 -0.76 2.66 15 1 10 -1.93 3.78 15 1 10 -0.51 2.26 15 1 10 -0.84 2.92 15 1 11 26.46 7.42 15 1 11 12.94 4.34 15 1 11 19.22 6.43 15 1 12 34.49 7.90 15 1 12 30.21 6.31 15 1 12 35.95 8.82 15 1 13 17.18 5.88 15 1 13 10.82 4.17 15 1 14 -0.81 3.54 15 1 14 1.49 2.86 15 2 1 0.83 3.63 15 2 2 12.38 5.89 15 2 2 13.05 2.35 15 2 3 -1.39 2.09 15 2 4 -0.36 2.29 15 2 4 -0.70 1.73 15 2 5 17.91 4.34 15 2 5 11.40 2.91 15 2 6 -0.50 1.96 15 2 6 -0.65 2.43 15 2 7 19.20 4.86 15 2 7 15.66 3.75 15 2 8 0.63 2.80 15 2 8 0.43 2.90 15 2 9 2.79 2.86 15 2 9 2.85 2.19 15 2 10 -0.77 2.51 15 2 10 -0.96 4.10 15 2 10 -2.61 2.49 15 2 11 3.39 3.46 15 2 11 4.70 4.33 15 2 11 2.29 2.63 15 2 12 15.83 5.86 15 2 12 18.18 5.94 15 2 12 8.11 3.79 15 2 13 5.10 4.50 15 2 13 1.71 3.63 15 2 13 2.72 3.42 15 2 14 2.41 3.77 15 2 14 2.96 3.12 15 2 15 1.48 2.95 -15 -3 3 0.97 3.96 -15 -3 2 3.85 4.60 -15 -3 1 23.09 7.13 -15 -3 0 8.99 6.72 -15 -3 0 12.11 5.22 -15 -3 -1 2.95 5.50 -15 -3 -1 2.30 4.25 15 3 2 15.04 6.16 -15 -3 -2 19.67 6.57 15 3 3 4.27 1.70 15 3 4 29.25 4.48 15 3 4 32.16 4.61 15 3 5 11.71 3.35 15 3 5 6.04 2.45 15 3 6 -0.45 1.86 15 3 7 4.69 2.80 15 3 7 -2.05 3.43 15 3 8 7.04 3.62 15 3 8 0.92 2.53 15 3 9 35.72 6.12 15 3 10 39.69 7.77 15 3 10 39.98 8.82 15 3 10 43.43 7.12 15 3 11 10.34 4.60 15 3 11 5.58 4.45 15 3 11 7.03 3.68 15 3 12 1.75 3.03 15 3 12 4.52 3.84 15 3 12 -1.27 2.57 15 3 13 1.92 3.31 15 3 13 0.86 2.98 15 3 13 2.06 2.65 15 3 14 18.42 5.73 15 3 14 15.67 5.19 15 3 15 -0.74 2.80 -15 -4 3 5.68 5.07 -15 -4 2 3.79 4.04 -15 -4 1 5.23 4.93 -15 -4 0 -0.79 3.53 -15 -4 -1 19.60 8.65 -15 -4 -1 25.49 6.67 15 4 2 4.72 4.40 -15 -4 -2 7.35 4.47 -15 -4 -2 7.43 6.91 -15 -4 -3 -1.46 4.81 15 4 4 8.65 2.79 15 4 4 8.40 2.30 15 4 5 12.70 3.50 15 4 5 16.17 3.52 15 4 6 98.35 9.69 15 4 6 86.92 9.44 15 4 7 17.16 4.38 15 4 7 21.83 4.79 15 4 8 15.41 4.56 15 4 8 14.84 4.20 15 4 9 16.71 4.68 15 4 9 11.72 4.15 15 4 10 10.27 4.29 15 4 10 1.71 2.73 15 4 11 18.10 5.49 15 4 11 19.47 6.63 15 4 11 25.46 5.85 15 4 12 12.43 5.41 15 4 12 16.14 5.96 15 4 12 16.87 5.14 15 4 13 6.37 4.29 15 4 13 4.30 3.48 15 4 13 1.39 2.82 15 4 14 42.69 8.55 15 4 15 39.62 7.79 -15 -5 2 6.48 4.96 -15 -5 1 -0.85 3.63 -15 -5 0 1.54 3.80 -15 -5 -1 2.19 3.49 -15 -5 -2 -3.05 4.63 -15 -5 -2 0.71 3.18 -15 -5 -3 7.50 6.18 -15 -5 -4 7.39 5.81 15 5 5 -0.25 1.39 -15 -5 -5 -1.46 4.78 15 5 5 -0.43 1.99 15 5 6 -0.35 1.71 15 5 6 1.89 2.66 15 5 7 0.50 2.70 15 5 8 23.00 5.08 15 5 8 23.02 5.27 15 5 9 5.24 3.28 15 5 9 1.70 2.79 15 5 10 13.03 4.66 15 5 10 23.52 5.65 15 5 11 5.05 3.43 15 5 11 10.81 4.41 15 5 12 0.79 3.20 15 5 12 -0.90 3.10 15 5 12 2.67 3.05 15 5 13 0.87 3.49 15 5 13 4.28 4.16 15 5 13 -1.43 3.13 15 5 14 2.42 3.78 -15 -6 2 8.12 5.18 -15 -6 1 20.71 6.65 -15 -6 0 -0.73 3.71 -15 -6 -1 3.49 3.93 -15 -6 -2 0.69 3.39 15 6 4 4.95 2.83 15 6 5 9.68 3.49 -15 -6 -5 4.50 4.93 15 6 6 0.53 2.33 -15 -6 -6 -2.96 5.17 15 6 7 8.31 3.56 15 6 8 3.34 2.55 15 6 8 9.33 3.80 15 6 9 10.03 4.00 15 6 9 10.96 4.51 15 6 10 8.83 3.88 15 6 10 11.48 4.37 15 6 11 30.84 6.79 15 6 11 20.72 5.73 15 6 12 -0.77 3.74 15 6 12 0.70 3.07 15 6 13 -0.86 3.29 15 6 13 0.84 3.39 15 6 14 -1.62 3.64 -15 -7 2 0.90 3.92 -15 -7 1 9.33 5.21 -15 -7 -1 3.34 3.47 -15 -7 -2 0.66 3.02 15 7 4 8.04 3.45 15 7 5 10.72 3.86 15 7 6 2.90 3.33 15 7 7 33.09 6.67 15 7 8 44.03 8.01 15 7 9 2.63 3.40 15 7 9 2.64 2.57 15 7 10 -1.36 3.10 15 7 10 1.22 2.45 15 7 11 2.82 3.09 15 7 11 1.37 3.11 15 7 12 18.22 5.73 15 7 13 46.65 8.90 -15 -8 2 0.83 3.76 -15 -8 1 -0.73 3.31 -15 -8 -1 10.10 4.50 15 8 4 11.12 4.43 15 8 5 20.68 5.20 15 8 6 1.26 2.99 15 8 7 0.67 3.18 15 8 8 0.69 3.05 15 8 9 19.27 5.72 15 8 10 9.46 4.54 15 8 12 14.13 5.03 -15 -9 0 11.84 4.35 -15 -9 -1 0.60 2.80 15 9 5 0.65 2.94 15 9 6 4.81 3.74 15 9 7 1.46 3.44 15 9 8 -0.76 3.45 15 10 5 20.53 5.89 16 -6 5 17.28 6.49 16 -6 6 1.06 2.88 16 -5 3 6.66 4.08 16 -5 4 -0.88 2.62 16 -5 5 54.45 10.28 16 -5 6 35.94 8.75 16 -5 7 -3.06 4.13 16 -4 1 22.42 5.74 16 -4 2 70.95 10.21 16 -4 3 12.56 4.99 16 -4 4 7.91 4.45 16 -4 5 7.58 4.39 16 -4 6 -0.90 5.04 16 -4 7 40.13 9.21 16 -4 8 26.38 7.56 16 -3 1 2.74 2.42 16 -3 2 1.80 3.20 16 -3 3 8.52 4.03 16 -3 4 18.49 5.52 16 -3 5 -1.54 2.67 16 -3 6 15.77 5.99 16 -3 7 25.96 7.55 16 -3 8 0.96 4.40 16 -3 9 -1.03 3.97 16 -2 1 -0.46 2.26 16 -2 2 1.56 2.11 16 -2 3 0.58 2.45 16 -2 4 3.83 3.41 16 -2 5 -0.70 3.09 16 -2 6 2.29 3.11 16 -2 7 0.83 4.07 16 -2 8 -0.90 4.54 16 -2 9 -2.92 5.19 16 -2 10 -1.05 3.84 16 -1 3 21.13 4.97 16 -1 4 27.09 5.79 16 -1 5 8.15 3.94 16 -1 6 4.15 3.61 16 -1 7 -0.76 2.47 16 -1 8 32.54 7.56 16 -1 9 56.53 10.21 16 -1 10 4.96 4.70 16 -1 11 -1.07 3.92 -16 0 -1 41.83 9.25 -16 0 -2 17.64 6.23 16 0 4 4.48 3.06 16 0 5 26.43 5.92 16 0 6 42.68 7.50 16 0 7 -0.70 3.19 16 0 8 14.56 4.94 16 0 9 2.81 2.19 16 0 9 3.36 3.72 16 0 10 26.61 7.31 16 0 11 19.55 4.73 16 0 11 22.01 6.97 16 0 12 -0.59 2.38 16 0 13 21.78 5.44 16 1 4 -0.42 1.78 16 1 5 0.99 2.34 16 1 6 -0.56 3.23 16 1 7 1.89 3.08 16 1 8 7.28 2.85 16 1 8 13.95 4.70 16 1 9 3.85 2.40 16 1 9 2.30 3.12 16 1 10 1.45 2.42 16 1 10 0.84 2.92 16 1 11 1.08 2.07 16 1 11 0.92 3.56 16 1 12 -1.01 3.47 16 1 13 -1.98 3.27 -16 -2 0 -0.88 3.74 -16 -2 -1 16.18 6.17 -16 -2 -2 5.13 4.36 16 2 6 16.55 4.38 16 2 7 13.72 4.59 16 2 8 12.88 3.51 16 2 8 17.30 5.07 16 2 9 -0.71 2.60 16 2 10 8.12 3.51 16 2 10 4.70 3.59 16 2 11 6.63 3.09 16 2 11 4.30 3.49 16 2 12 2.42 2.83 16 2 12 1.89 3.81 16 2 13 -1.32 2.76 -16 -3 0 10.34 4.99 -16 -3 -1 0.84 3.41 -16 -3 -2 20.95 6.45 16 3 6 -1.32 1.94 16 3 7 14.78 3.77 16 3 7 19.31 4.84 16 3 8 42.36 7.46 16 3 9 0.49 2.16 16 3 9 -0.67 2.15 16 3 10 -0.54 2.53 16 3 10 0.74 2.69 16 3 11 8.05 3.58 16 3 11 9.75 4.54 16 3 12 34.61 6.77 16 3 12 47.23 9.25 16 3 13 10.71 4.37 -16 -4 -1 10.60 4.82 -16 -4 -2 -0.82 3.47 16 4 6 -1.23 2.34 16 4 8 1.47 2.31 16 4 9 8.46 3.48 16 4 9 2.49 2.94 16 4 10 3.97 2.84 16 4 10 2.78 3.59 16 4 11 -1.82 3.36 16 4 11 0.77 2.94 16 4 12 8.97 3.88 16 4 12 1.69 3.24 -16 -5 0 26.68 7.03 -16 -5 -1 -0.79 3.72 -16 -5 -2 10.29 5.15 16 5 7 4.05 3.09 16 5 8 2.17 3.02 16 5 9 1.14 2.50 16 5 10 0.60 3.11 16 5 10 3.96 3.19 16 5 11 -0.63 2.76 16 5 11 0.73 2.65 16 5 12 2.01 2.92 16 5 12 2.42 3.07 -16 -6 0 5.50 4.27 -16 -6 -1 21.33 6.17 16 6 6 7.72 3.44 16 6 7 5.07 3.22 16 6 8 3.57 2.98 16 6 9 33.08 6.76 16 6 10 13.55 4.47 16 6 11 1.35 2.70 -16 -7 0 3.75 3.73 -16 -7 -1 -0.73 3.64 16 7 6 18.26 5.02 16 7 8 -1.97 3.17 16 7 9 -0.68 2.84 16 7 10 1.40 3.04 -16 -8 0 5.75 4.04 -16 -8 -1 4.91 4.04 16 8 6 2.51 3.03 16 8 7 -1.35 3.25 16 8 8 -0.72 3.23 17 -6 3 2.02 3.21 17 -5 3 7.81 4.20 17 -5 4 50.52 9.61 17 -5 5 2.91 3.09 17 -4 4 15.38 5.67 17 -4 5 32.97 7.67 17 -4 6 17.63 5.90 17 -4 7 -0.99 3.59 17 -3 4 -1.43 3.36 17 -3 6 0.85 3.83 17 -3 7 0.91 3.32 17 -3 8 1.96 3.93 17 -2 5 46.10 8.23 17 -2 7 -0.84 3.79 17 -2 8 -0.91 3.30 17 -2 9 -0.99 2.92 17 -1 6 -0.69 2.92 17 -1 8 36.08 8.02 17 -1 9 0.92 3.50 17 -1 10 5.98 4.51 17 0 7 8.30 3.86 17 0 9 -0.84 3.52 17 0 10 0.92 3.33 17 1 8 -0.70 2.79 17 1 9 2.31 2.94 17 1 10 -0.85 2.89 17 1 11 2.79 3.36 17 2 10 32.31 7.29 17 2 11 12.14 5.14 0 0 0 0.00 0.00 TITL Sjcm19ar19a_14_170_00 in P-1 REM P-1 (#2 in standard setting) CELL 0.71073 11.831713 12.345620 13.991608 82.7745 77.2284 89.2769 ZERR 2.00 0.000311 0.000419 0.000466 0.0028 0.0026 0.0025 LATT 1 SFAC C H N O F S Fe I UNIT 80.00 80.00 10.00 4.00 6.00 2.00 2.00 6.00 TREF HKLF 4 END _computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)' ; _shelx_hkl_checksum 73244 _olex2_exptl_crystal_mounting_method 'Paratone oil' _olex2_submission_original_sample_id Sjcm19ar19a_14_170_00 _olex2_submission_special_instructions 'No special instructions were received' _oxdiff_exptl_absorpt_empirical_details ; Empirical correction (ABSPACK) includes: - Absorption correction using spherical harmonics - Frame scaling ; _oxdiff_exptl_absorpt_empirical_full_max 4.252 _oxdiff_exptl_absorpt_empirical_full_min 0.579 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, -y, -z' 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 I1 I -0.08294(3) 0.23697(3) 0.38579(3) 0.03426(10) Uani 1 1 d . . . . . I3 I 0.28382(3) 0.05514(3) 0.60536(3) 0.04159(12) Uani 1 1 d . . . . . I2 I -0.00868(4) 0.42860(3) 0.74425(3) 0.04863(13) Uani 1 1 d . . . . . Fe1 Fe 0.51486(5) 0.36437(5) 0.78957(5) 0.02029(14) Uani 1 1 d . . . . . S1 S -0.20161(14) 0.29067(14) 0.19668(11) 0.0474(4) Uani 1 1 d . . . . . F3 F 0.1188(3) 0.0880(3) 0.4504(2) 0.0399(7) Uani 1 1 d . . . . . F1 F -0.1058(3) 0.3842(3) 0.5586(2) 0.0431(8) Uani 1 1 d . . . . . O3 O 0.5919(3) 0.3097(3) 0.8890(2) 0.0249(7) Uani 1 1 d . . . . . O1 O 0.6286(3) 0.4721(3) 0.7354(2) 0.0249(7) Uani 1 1 d . . . . . F2 F 0.1867(3) 0.2519(3) 0.7180(2) 0.0460(8) Uani 1 1 d . . . . . N3 N 0.5966(3) 0.2718(3) 0.6953(3) 0.0212(8) Uani 1 1 d . . . . . O4 O 0.9692(3) 0.0389(3) 0.8757(3) 0.0354(8) Uani 1 1 d . . . . . O2 O 0.6940(3) 0.8753(3) 0.8467(3) 0.0363(9) Uani 1 1 d . . . . . N1 N 0.4234(3) 0.4547(3) 0.8804(3) 0.0222(8) Uani 1 1 d . . . . . N2 N 0.3856(3) 0.2579(3) 0.8477(3) 0.0211(7) Uani 1 1 d . . . . . N4 N 0.4325(3) 0.4103(3) 0.6825(3) 0.0242(8) Uani 1 1 d . . . . . C25 C 0.6872(4) 0.2149(4) 0.7047(3) 0.0217(9) Uani 1 1 d . . . . . H25 H 0.725336 0.179817 0.650002 0.026 Uiso 1 1 calc R U . . . C7 C 0.5607(4) 0.6035(4) 0.8494(3) 0.0227(9) Uani 1 1 d . . . . . C34 C 0.4663(4) 0.3537(4) 0.6026(3) 0.0222(9) Uani 1 1 d . . . . . C24 C 0.7339(4) 0.2012(4) 0.7913(3) 0.0237(9) Uani 1 1 d . . . . . C9 C 0.3126(4) 0.4089(4) 0.9300(3) 0.0220(9) Uani 1 1 d . . . . . C18 C 0.6847(4) 0.2482(4) 0.8777(3) 0.0230(9) Uani 1 1 d . . . . . C26 C 0.5541(4) 0.2758(4) 0.6077(3) 0.0235(9) Uani 1 1 d . . . . . C23 C 0.8297(4) 0.1301(4) 0.7884(3) 0.0238(9) Uani 1 1 d . . . . . H23 H 0.860786 0.097790 0.730190 0.029 Uiso 1 1 calc R U . . . C19 C 0.7376(4) 0.2236(4) 0.9586(3) 0.0259(10) Uani 1 1 d . . . . . H19 H 0.707427 0.254343 1.017800 0.031 Uiso 1 1 calc R U . . . C17 C 0.2969(4) 0.3000(4) 0.9126(3) 0.0216(9) Uani 1 1 d . . . . . C1 C 0.6424(4) 0.5631(4) 0.7717(3) 0.0233(9) Uani 1 1 d . . . . . C16 C 0.3766(4) 0.1546(4) 0.8317(3) 0.0271(10) Uani 1 1 d . . . . . H16 H 0.438129 0.124358 0.787647 0.033 Uiso 1 1 calc R U . . . C2 C 0.7416(4) 0.6293(4) 0.7265(3) 0.0271(10) Uani 1 1 d . . . . . H2 H 0.799139 0.603382 0.676007 0.033 Uiso 1 1 calc R U . . . C6 C 0.5779(4) 0.7078(4) 0.8776(4) 0.0272(10) Uani 1 1 d . . . . . H6 H 0.523698 0.733745 0.930355 0.033 Uiso 1 1 calc R U . . . C00V C 0.0384(4) 0.3204(4) 0.6411(4) 0.0328(11) Uani 1 1 d . . . . . C8 C 0.4563(4) 0.5479(4) 0.9003(3) 0.0228(9) Uani 1 1 d . . . . . H8 H 0.407514 0.580627 0.952014 0.027 Uiso 1 1 calc R U . . . C00X C 0.0053(4) 0.2375(4) 0.5012(4) 0.0336(11) Uani 1 1 d . . . . . C13 C 0.1949(4) 0.2403(4) 0.9588(3) 0.0274(10) Uani 1 1 d . . . . . C00Z C 0.1567(4) 0.1688(4) 0.5843(4) 0.0320(11) Uani 1 1 d . . . . . C28 C 0.5386(4) 0.2300(4) 0.4491(4) 0.0312(11) Uani 1 1 d . . . . . H28 H 0.562765 0.186523 0.397098 0.037 Uiso 1 1 calc R U . . . C33 C 0.3536(4) 0.4859(4) 0.6786(4) 0.0284(10) Uani 1 1 d . . . . . H33 H 0.330536 0.526047 0.733133 0.034 Uiso 1 1 calc R U . . . C4 C 0.6735(4) 0.7714(4) 0.8283(4) 0.0262(10) Uani 1 1 d . . . . . C013 C -0.0198(4) 0.3131(4) 0.5674(4) 0.0333(11) Uani 1 1 d . . . . . C21 C 0.8778(4) 0.1078(4) 0.8702(4) 0.0266(10) Uani 1 1 d . . . . . C35 C -0.3025(6) 0.1949(5) 0.2165(4) 0.0413(14) Uani 1 1 d . . . . . C10 C 0.2239(4) 0.4587(4) 0.9888(4) 0.0286(10) Uani 1 1 d . . . . . H10 H 0.232249 0.532413 0.999292 0.034 Uiso 1 1 calc R U . . . C3 C 0.7559(4) 0.7295(4) 0.7541(4) 0.0315(11) Uani 1 1 d . . . . . H3 H 0.823252 0.771993 0.722313 0.038 Uiso 1 1 calc R U . . . C30 C 0.4166(4) 0.3714(4) 0.5184(4) 0.0288(10) Uani 1 1 d . . . . . C12 C 0.1052(4) 0.2940(4) 1.0197(4) 0.0304(11) Uani 1 1 d . . . . . H12 H 0.034587 0.256279 1.050784 0.037 Uiso 1 1 calc R U . . . C27 C 0.5885(4) 0.2132(4) 0.5316(3) 0.0297(11) Uani 1 1 d . . . . . H27 H 0.645728 0.159037 0.535173 0.036 Uiso 1 1 calc R U . . . C29 C 0.4562(4) 0.3071(4) 0.4414(4) 0.0312(11) Uani 1 1 d . . . . . H29 H 0.425328 0.317501 0.383769 0.037 Uiso 1 1 calc R U . . . N5 N -0.3754(5) 0.1278(5) 0.2303(4) 0.0555(15) Uani 1 1 d . . . . . C01D C 0.1279(4) 0.2473(4) 0.6470(4) 0.0318(11) Uani 1 1 d . . . . . C11 C 0.1205(4) 0.3998(4) 1.0337(4) 0.0333(11) Uani 1 1 d . . . . . H11 H 0.059776 0.434731 1.074677 0.040 Uiso 1 1 calc R U . . . C01F C 0.0931(4) 0.1650(4) 0.5123(4) 0.0324(11) Uani 1 1 d . . . . . C20 C 0.8309(4) 0.1569(4) 0.9545(4) 0.0304(11) Uani 1 1 d . . . . . H20 H 0.864866 0.143630 1.010286 0.037 Uiso 1 1 calc R U . . . C14 C 0.1891(4) 0.1304(4) 0.9404(4) 0.0314(11) Uani 1 1 d . . . . . H14 H 0.122916 0.086049 0.971522 0.038 Uiso 1 1 calc R U . . . C31 C 0.3331(4) 0.4540(4) 0.5181(4) 0.0330(11) Uani 1 1 d . . . . . H31 H 0.298930 0.470214 0.462706 0.040 Uiso 1 1 calc R U . . . C32 C 0.3017(5) 0.5099(5) 0.5966(4) 0.0343(11) Uani 1 1 d . . . . . H32 H 0.245071 0.565118 0.596751 0.041 Uiso 1 1 calc R U . . . C15 C 0.2790(4) 0.0891(4) 0.8779(4) 0.0320(11) Uani 1 1 d . . . . . H15 H 0.275744 0.015425 0.865340 0.038 Uiso 1 1 calc R U . . . C5 C 0.6002(5) 0.9264(4) 0.9051(4) 0.0359(12) Uani 1 1 d . . . . . H5A H 0.532473 0.925568 0.875637 0.054 Uiso 1 1 calc R U . . . H5B H 0.621878 1.002023 0.908072 0.054 Uiso 1 1 calc R U . . . H5C H 0.581494 0.886782 0.972030 0.054 Uiso 1 1 calc R U . . . C22 C 0.9978(5) -0.0315(5) 0.8012(4) 0.0361(12) Uani 1 1 d . . . . . H22A H 1.024273 0.012235 0.736738 0.054 Uiso 1 1 calc R U . . . H22B H 0.929289 -0.074842 0.800541 0.054 Uiso 1 1 calc R U . . . H22C H 1.059732 -0.080360 0.815106 0.054 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 I1 0.02720(17) 0.0396(2) 0.0381(2) -0.00971(15) -0.00917(14) 0.00485(14) I3 0.0359(2) 0.0330(2) 0.0590(3) -0.00425(17) -0.01863(17) 0.00660(15) I2 0.0554(3) 0.0425(2) 0.0502(2) -0.02018(19) -0.00856(19) 0.00251(18) Fe1 0.0203(3) 0.0216(3) 0.0198(3) -0.0052(2) -0.0048(2) 0.0031(2) S1 0.0559(9) 0.0544(10) 0.0358(7) -0.0133(7) -0.0155(7) 0.0215(8) F3 0.0440(18) 0.0376(18) 0.0418(18) -0.0156(14) -0.0119(14) 0.0126(14) F1 0.0400(17) 0.044(2) 0.051(2) -0.0151(16) -0.0172(15) 0.0168(14) O3 0.0242(16) 0.0312(19) 0.0202(15) -0.0078(14) -0.0047(12) 0.0058(13) O1 0.0239(16) 0.0283(18) 0.0220(16) -0.0055(13) -0.0030(13) 0.0019(13) F2 0.060(2) 0.0383(19) 0.048(2) -0.0054(15) -0.0298(17) 0.0022(16) N3 0.0245(18) 0.0209(19) 0.0185(17) -0.0039(15) -0.0046(14) 0.0028(15) O4 0.0329(19) 0.039(2) 0.040(2) -0.0085(17) -0.0193(16) 0.0121(16) O2 0.0348(19) 0.029(2) 0.044(2) -0.0117(17) -0.0028(16) -0.0077(16) N1 0.0198(18) 0.023(2) 0.0213(18) -0.0004(15) -0.0014(14) 0.0032(15) N2 0.0264(19) 0.0182(19) 0.0212(18) -0.0046(15) -0.0093(15) 0.0027(15) N4 0.0268(19) 0.024(2) 0.0228(19) -0.0030(16) -0.0076(15) -0.0008(16) C25 0.022(2) 0.023(2) 0.021(2) -0.0070(18) -0.0058(17) 0.0084(17) C7 0.020(2) 0.025(2) 0.024(2) -0.0036(18) -0.0064(17) 0.0012(17) C34 0.021(2) 0.024(2) 0.021(2) -0.0014(18) -0.0054(17) -0.0012(17) C24 0.022(2) 0.028(3) 0.024(2) -0.0076(19) -0.0080(18) 0.0036(18) C9 0.020(2) 0.021(2) 0.026(2) -0.0041(18) -0.0052(17) -0.0004(17) C18 0.022(2) 0.026(2) 0.023(2) -0.0054(18) -0.0069(17) -0.0011(18) C26 0.024(2) 0.030(3) 0.017(2) -0.0045(18) -0.0047(17) 0.0037(18) C23 0.024(2) 0.020(2) 0.027(2) -0.0040(18) -0.0052(18) 0.0057(17) C19 0.027(2) 0.030(3) 0.024(2) -0.0088(19) -0.0118(18) 0.0052(19) C17 0.022(2) 0.022(2) 0.022(2) -0.0056(18) -0.0075(17) 0.0058(17) C1 0.019(2) 0.028(3) 0.024(2) -0.0041(19) -0.0065(17) 0.0021(18) C16 0.034(3) 0.021(2) 0.026(2) -0.0041(19) -0.008(2) 0.0024(19) C2 0.023(2) 0.033(3) 0.025(2) -0.005(2) -0.0041(18) 0.0013(19) C6 0.027(2) 0.024(2) 0.032(2) -0.004(2) -0.0097(19) 0.0019(19) C00V 0.036(3) 0.026(3) 0.039(3) -0.012(2) -0.008(2) 0.002(2) C8 0.020(2) 0.026(2) 0.022(2) -0.0073(18) -0.0025(17) 0.0013(18) C00X 0.031(3) 0.034(3) 0.036(3) -0.001(2) -0.009(2) -0.003(2) C13 0.024(2) 0.033(3) 0.025(2) -0.002(2) -0.0071(18) -0.004(2) C00Z 0.027(2) 0.032(3) 0.038(3) -0.005(2) -0.008(2) 0.001(2) C28 0.041(3) 0.033(3) 0.023(2) -0.008(2) -0.011(2) 0.007(2) C33 0.028(2) 0.029(3) 0.030(2) -0.002(2) -0.0106(19) 0.005(2) C4 0.021(2) 0.024(2) 0.034(3) -0.004(2) -0.0078(19) -0.0029(18) C013 0.029(2) 0.030(3) 0.042(3) -0.009(2) -0.009(2) 0.007(2) C21 0.019(2) 0.031(3) 0.033(3) -0.008(2) -0.0105(19) 0.0028(18) C35 0.058(4) 0.049(4) 0.024(3) -0.019(3) -0.019(3) 0.032(3) C10 0.027(2) 0.028(3) 0.032(3) -0.009(2) -0.006(2) 0.0021(19) C3 0.021(2) 0.039(3) 0.035(3) -0.007(2) -0.007(2) -0.006(2) C30 0.030(2) 0.031(3) 0.025(2) -0.001(2) -0.0069(19) -0.003(2) C12 0.020(2) 0.036(3) 0.035(3) -0.009(2) 0.0001(19) -0.004(2) C27 0.033(3) 0.033(3) 0.026(2) -0.009(2) -0.009(2) 0.002(2) C29 0.035(3) 0.038(3) 0.022(2) -0.001(2) -0.012(2) -0.003(2) N5 0.065(4) 0.061(4) 0.047(3) -0.025(3) -0.017(3) 0.021(3) C01D 0.032(3) 0.028(3) 0.036(3) 0.003(2) -0.013(2) -0.001(2) C11 0.027(2) 0.032(3) 0.039(3) -0.009(2) 0.000(2) 0.001(2) C01F 0.032(3) 0.032(3) 0.034(3) -0.008(2) -0.007(2) 0.002(2) C20 0.031(3) 0.036(3) 0.029(2) -0.007(2) -0.015(2) -0.001(2) C14 0.032(3) 0.030(3) 0.032(3) -0.004(2) -0.007(2) -0.010(2) C31 0.036(3) 0.033(3) 0.033(3) 0.001(2) -0.016(2) 0.002(2) C32 0.034(3) 0.036(3) 0.034(3) -0.004(2) -0.011(2) 0.004(2) C15 0.039(3) 0.026(3) 0.035(3) -0.004(2) -0.016(2) -0.007(2) C5 0.043(3) 0.025(3) 0.039(3) -0.010(2) -0.005(2) -0.005(2) C22 0.036(3) 0.040(3) 0.033(3) -0.007(2) -0.008(2) 0.013(2) 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' Fe Fe 0.3463 0.8444 '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' 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 O3 Fe1 N3 94.07(14) . . ? O3 Fe1 N1 89.05(14) . . ? O3 Fe1 N2 89.73(15) . . ? O3 Fe1 N4 175.55(15) . . ? O1 Fe1 O3 92.67(14) . . ? O1 Fe1 N3 88.24(15) . . ? O1 Fe1 N1 94.28(15) . . ? O1 Fe1 N2 176.01(14) . . ? O1 Fe1 N4 90.24(15) . . ? N3 Fe1 N2 94.77(15) . . ? N3 Fe1 N4 82.66(16) . . ? N1 Fe1 N3 175.90(15) . . ? N1 Fe1 N2 82.57(15) . . ? N1 Fe1 N4 94.09(16) . . ? N4 Fe1 N2 87.56(15) . . ? C18 O3 Fe1 126.2(3) . . ? C1 O1 Fe1 126.2(3) . . ? C25 N3 Fe1 125.4(3) . . ? C25 N3 C26 120.2(4) . . ? C26 N3 Fe1 114.3(3) . . ? C21 O4 C22 116.4(4) . . ? C4 O2 C5 116.4(4) . . ? C9 N1 Fe1 114.2(3) . . ? C8 N1 Fe1 125.8(3) . . ? C8 N1 C9 120.0(4) . . ? C17 N2 Fe1 113.2(3) . . ? C16 N2 Fe1 128.4(3) . . ? C16 N2 C17 118.4(4) . . ? C34 N4 Fe1 112.9(3) . . ? C33 N4 Fe1 129.0(3) . . ? C33 N4 C34 118.1(4) . . ? N3 C25 H25 117.6 . . ? N3 C25 C24 124.8(4) . . ? C24 C25 H25 117.6 . . ? C1 C7 C6 120.4(4) . . ? C8 C7 C1 124.0(4) . . ? C8 C7 C6 115.5(4) . . ? N4 C34 C26 116.7(4) . . ? N4 C34 C30 122.5(4) . . ? C26 C34 C30 120.8(4) . . ? C18 C24 C25 123.2(4) . . ? C18 C24 C23 120.9(4) . . ? C23 C24 C25 115.8(4) . . ? C17 C9 N1 113.3(4) . . ? C10 C9 N1 127.5(4) . . ? C10 C9 C17 119.2(4) . . ? O3 C18 C24 125.0(4) . . ? O3 C18 C19 118.3(4) . . ? C19 C18 C24 116.6(4) . . ? C34 C26 N3 113.2(4) . . ? C27 C26 N3 127.3(4) . . ? C27 C26 C34 119.5(4) . . ? C24 C23 H23 119.9 . . ? C21 C23 C24 120.1(4) . . ? C21 C23 H23 119.9 . . ? C18 C19 H19 119.0 . . ? C20 C19 C18 122.0(4) . . ? C20 C19 H19 119.0 . . ? N2 C17 C9 116.2(4) . . ? N2 C17 C13 122.5(4) . . ? C13 C17 C9 121.2(4) . . ? O1 C1 C7 124.4(4) . . ? O1 C1 C2 118.1(4) . . ? C2 C1 C7 117.4(4) . . ? N2 C16 H16 119.0 . . ? N2 C16 C15 122.1(4) . . ? C15 C16 H16 119.0 . . ? C1 C2 H2 119.4 . . ? C3 C2 C1 121.2(4) . . ? C3 C2 H2 119.4 . . ? C7 C6 H6 120.0 . . ? C4 C6 C7 119.9(4) . . ? C4 C6 H6 120.0 . . ? C013 C00V I2 122.3(4) . . ? C013 C00V C01D 116.9(4) . . ? C01D C00V I2 120.7(4) . . ? N1 C8 C7 123.8(4) . . ? N1 C8 H8 118.1 . . ? C7 C8 H8 118.1 . . ? C013 C00X I1 121.1(4) . . ? C013 C00X C01F 117.0(5) . . ? C01F C00X I1 121.8(4) . . ? C17 C13 C12 118.0(4) . . ? C17 C13 C14 117.2(4) . . ? C14 C13 C12 124.8(4) . . ? C01D C00Z I3 120.1(4) . . ? C01D C00Z C01F 117.3(5) . . ? C01F C00Z I3 122.5(4) . . ? C27 C28 H28 119.0 . . ? C29 C28 H28 119.0 . . ? C29 C28 C27 121.9(4) . . ? N4 C33 H33 118.6 . . ? N4 C33 C32 122.8(5) . . ? C32 C33 H33 118.6 . . ? O2 C4 C6 124.1(4) . . ? O2 C4 C3 116.6(4) . . ? C6 C4 C3 119.3(4) . . ? F1 C013 C00V 118.4(4) . . ? F1 C013 C00X 118.1(5) . . ? C00V C013 C00X 123.6(5) . . ? O4 C21 C23 124.7(4) . . ? O4 C21 C20 116.6(4) . . ? C23 C21 C20 118.7(4) . . ? N5 C35 S1 179.0(6) . . ? C9 C10 H10 120.1 . . ? C9 C10 C11 119.7(4) . . ? C11 C10 H10 120.1 . . ? C2 C3 C4 121.6(4) . . ? C2 C3 H3 119.2 . . ? C4 C3 H3 119.2 . . ? C29 C30 C34 117.7(5) . . ? C31 C30 C34 116.8(4) . . ? C31 C30 C29 125.4(5) . . ? C13 C12 H12 120.0 . . ? C11 C12 C13 120.1(4) . . ? C11 C12 H12 120.0 . . ? C26 C27 C28 119.6(5) . . ? C26 C27 H27 120.2 . . ? C28 C27 H27 120.2 . . ? C28 C29 C30 120.4(4) . . ? C28 C29 H29 119.8 . . ? C30 C29 H29 119.8 . . ? F2 C01D C00V 118.7(5) . . ? F2 C01D C00Z 118.6(5) . . ? C00Z C01D C00V 122.7(5) . . ? C10 C11 H11 119.2 . . ? C12 C11 C10 121.7(5) . . ? C12 C11 H11 119.2 . . ? F3 C01F C00X 119.0(4) . . ? F3 C01F C00Z 118.6(5) . . ? C00X C01F C00Z 122.4(5) . . ? C19 C20 C21 121.6(4) . . ? C19 C20 H20 119.2 . . ? C21 C20 H20 119.2 . . ? C13 C14 H14 120.3 . . ? C15 C14 C13 119.4(5) . . ? C15 C14 H14 120.3 . . ? C30 C31 H31 120.0 . . ? C32 C31 C30 120.0(5) . . ? C32 C31 H31 120.0 . . ? C33 C32 H32 120.1 . . ? C31 C32 C33 119.7(5) . . ? C31 C32 H32 120.1 . . ? C16 C15 H15 119.9 . . ? C14 C15 C16 120.3(5) . . ? C14 C15 H15 119.9 . . ? O2 C5 H5A 109.5 . . ? O2 C5 H5B 109.5 . . ? O2 C5 H5C 109.5 . . ? H5A C5 H5B 109.5 . . ? H5A C5 H5C 109.5 . . ? H5B C5 H5C 109.5 . . ? O4 C22 H22A 109.5 . . ? O4 C22 H22B 109.5 . . ? O4 C22 H22C 109.5 . . ? H22A C22 H22B 109.5 . . ? H22A C22 H22C 109.5 . . ? H22B C22 H22C 109.5 . . ? 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 I1 C00X 2.108(5) . ? I3 C00Z 2.087(5) . ? I2 C00V 2.071(5) . ? Fe1 O3 1.879(3) . ? Fe1 O1 1.869(3) . ? Fe1 N3 1.941(4) . ? Fe1 N1 1.936(4) . ? Fe1 N2 1.990(4) . ? Fe1 N4 1.984(4) . ? S1 C35 1.645(8) . ? F3 C01F 1.351(6) . ? F1 C013 1.352(6) . ? O3 C18 1.319(5) . ? O1 C1 1.317(5) . ? F2 C01D 1.341(6) . ? N3 C25 1.295(6) . ? N3 C26 1.419(5) . ? O4 C21 1.376(6) . ? O4 C22 1.421(6) . ? O2 C4 1.375(6) . ? O2 C5 1.416(6) . ? N1 C9 1.427(6) . ? N1 C8 1.301(6) . ? N2 C17 1.371(5) . ? N2 C16 1.331(6) . ? N4 C34 1.374(5) . ? N4 C33 1.317(6) . ? C25 H25 0.9500 . ? C25 C24 1.430(6) . ? C7 C1 1.423(6) . ? C7 C6 1.424(6) . ? C7 C8 1.420(6) . ? C34 C26 1.414(6) . ? C34 C30 1.422(6) . ? C24 C18 1.413(6) . ? C24 C23 1.422(6) . ? C9 C17 1.418(6) . ? C9 C10 1.373(6) . ? C18 C19 1.410(6) . ? C26 C27 1.379(6) . ? C23 H23 0.9500 . ? C23 C21 1.384(6) . ? C19 H19 0.9500 . ? C19 C20 1.364(7) . ? C17 C13 1.406(6) . ? C1 C2 1.418(6) . ? C16 H16 0.9500 . ? C16 C15 1.403(7) . ? C2 H2 0.9500 . ? C2 C3 1.366(7) . ? C6 H6 0.9500 . ? C6 C4 1.383(7) . ? C00V C013 1.372(7) . ? C00V C01D 1.392(7) . ? C8 H8 0.9500 . ? C00X C013 1.380(7) . ? C00X C01F 1.385(7) . ? C13 C12 1.420(6) . ? C13 C14 1.417(7) . ? C00Z C01D 1.377(7) . ? C00Z C01F 1.391(7) . ? C28 H28 0.9500 . ? C28 C27 1.401(7) . ? C28 C29 1.366(7) . ? C33 H33 0.9500 . ? C33 C32 1.415(7) . ? C4 C3 1.404(7) . ? C21 C20 1.396(6) . ? C35 N5 1.171(8) . ? C10 H10 0.9500 . ? C10 C11 1.410(7) . ? C3 H3 0.9500 . ? C30 C29 1.412(7) . ? C30 C31 1.410(7) . ? C12 H12 0.9500 . ? C12 C11 1.365(7) . ? C27 H27 0.9500 . ? C29 H29 0.9500 . ? C11 H11 0.9500 . ? C20 H20 0.9500 . ? C14 H14 0.9500 . ? C14 C15 1.358(7) . ? C31 H31 0.9500 . ? C31 C32 1.351(7) . ? C32 H32 0.9500 . ? C15 H15 0.9500 . ? C5 H5A 0.9800 . ? C5 H5B 0.9800 . ? C5 H5C 0.9800 . ? C22 H22A 0.9800 . ? C22 H22B 0.9800 . ? C22 H22C 0.9800 . ? 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 I1 C00X C013 F1 2.6(7) . . . . ? I1 C00X C013 C00V -177.0(4) . . . . ? I1 C00X C01F F3 -3.5(7) . . . . ? I1 C00X C01F C00Z 176.0(4) . . . . ? I3 C00Z C01D F2 3.0(7) . . . . ? I3 C00Z C01D C00V -175.4(4) . . . . ? I3 C00Z C01F F3 -3.4(7) . . . . ? I3 C00Z C01F C00X 177.1(4) . . . . ? I2 C00V C013 F1 4.3(7) . . . . ? I2 C00V C013 C00X -176.1(4) . . . . ? I2 C00V C01D F2 -3.1(7) . . . . ? I2 C00V C01D C00Z 175.3(4) . . . . ? Fe1 O3 C18 C24 -8.4(7) . . . . ? Fe1 O3 C18 C19 173.8(3) . . . . ? Fe1 O1 C1 C7 -11.3(6) . . . . ? Fe1 O1 C1 C2 173.0(3) . . . . ? Fe1 N3 C25 C24 7.6(7) . . . . ? Fe1 N3 C26 C34 5.0(5) . . . . ? Fe1 N3 C26 C27 -174.6(4) . . . . ? Fe1 N1 C9 C17 7.6(5) . . . . ? Fe1 N1 C9 C10 -171.5(4) . . . . ? Fe1 N1 C8 C7 7.4(7) . . . . ? Fe1 N2 C17 C9 -2.0(5) . . . . ? Fe1 N2 C17 C13 177.2(3) . . . . ? Fe1 N2 C16 C15 -179.5(3) . . . . ? Fe1 N4 C34 C26 -1.6(5) . . . . ? Fe1 N4 C34 C30 178.5(4) . . . . ? Fe1 N4 C33 C32 -179.9(4) . . . . ? O3 Fe1 O1 C1 -76.0(4) . . . . ? O3 C18 C19 C20 177.3(5) . . . . ? O1 Fe1 O3 C18 -76.2(4) . . . . ? O1 C1 C2 C3 173.7(4) . . . . ? N3 Fe1 O3 C18 12.2(4) . . . . ? N3 Fe1 O1 C1 -170.0(4) . . . . ? N3 C25 C24 C18 0.6(8) . . . . ? N3 C25 C24 C23 176.3(5) . . . . ? N3 C26 C27 C28 -178.6(5) . . . . ? O4 C21 C20 C19 -177.7(5) . . . . ? O2 C4 C3 C2 -176.9(5) . . . . ? N1 Fe1 O3 C18 -170.4(4) . . . . ? N1 Fe1 O1 C1 13.3(4) . . . . ? N1 C9 C17 N2 -3.6(6) . . . . ? N1 C9 C17 C13 177.3(4) . . . . ? N1 C9 C10 C11 -178.8(5) . . . . ? N2 Fe1 O3 C18 107.0(4) . . . . ? N2 C17 C13 C12 -176.0(4) . . . . ? N2 C17 C13 C14 3.7(7) . . . . ? N2 C16 C15 C14 0.7(7) . . . . ? N4 Fe1 O1 C1 107.4(4) . . . . ? N4 C34 C26 N3 -2.2(6) . . . . ? N4 C34 C26 C27 177.4(4) . . . . ? N4 C34 C30 C29 -178.7(4) . . . . ? N4 C34 C30 C31 2.6(7) . . . . ? N4 C33 C32 C31 0.0(8) . . . . ? C25 N3 C26 C34 -171.0(4) . . . . ? C25 N3 C26 C27 9.5(8) . . . . ? C25 C24 C18 O3 -0.4(8) . . . . ? C25 C24 C18 C19 177.4(4) . . . . ? C25 C24 C23 C21 -177.2(4) . . . . ? C7 C1 C2 C3 -2.3(7) . . . . ? C7 C6 C4 O2 176.3(4) . . . . ? C7 C6 C4 C3 -3.3(7) . . . . ? C34 N4 C33 C32 0.8(7) . . . . ? C34 C26 C27 C28 1.9(7) . . . . ? C34 C30 C29 C28 0.7(8) . . . . ? C34 C30 C31 C32 -1.7(8) . . . . ? C24 C18 C19 C20 -0.7(7) . . . . ? C24 C23 C21 O4 178.9(5) . . . . ? C24 C23 C21 C20 -0.5(7) . . . . ? C9 N1 C8 C7 -174.9(4) . . . . ? C9 C17 C13 C12 3.1(7) . . . . ? C9 C17 C13 C14 -177.2(4) . . . . ? C9 C10 C11 C12 -0.5(8) . . . . ? C18 C24 C23 C21 -1.4(7) . . . . ? C18 C19 C20 C21 -1.2(8) . . . . ? C26 N3 C25 C24 -176.9(4) . . . . ? C26 C34 C30 C29 1.3(7) . . . . ? C26 C34 C30 C31 -177.4(5) . . . . ? C23 C24 C18 O3 -175.8(4) . . . . ? C23 C24 C18 C19 1.9(7) . . . . ? C23 C21 C20 C19 1.8(8) . . . . ? C17 N2 C16 C15 0.9(7) . . . . ? C17 C9 C10 C11 2.2(7) . . . . ? C17 C13 C12 C11 -1.4(7) . . . . ? C17 C13 C14 C15 -1.9(7) . . . . ? C1 C7 C6 C4 1.1(7) . . . . ? C1 C7 C8 N1 -1.0(7) . . . . ? C1 C2 C3 C4 0.1(8) . . . . ? C16 N2 C17 C9 177.7(4) . . . . ? C16 N2 C17 C13 -3.2(6) . . . . ? C6 C7 C1 O1 -174.1(4) . . . . ? C6 C7 C1 C2 1.6(6) . . . . ? C6 C7 C8 N1 176.1(4) . . . . ? C6 C4 C3 C2 2.8(8) . . . . ? C8 N1 C9 C17 -170.3(4) . . . . ? C8 N1 C9 C10 10.6(7) . . . . ? C8 C7 C1 O1 2.9(7) . . . . ? C8 C7 C1 C2 178.7(4) . . . . ? C8 C7 C6 C4 -176.1(4) . . . . ? C13 C12 C11 C10 0.1(8) . . . . ? C13 C14 C15 C16 -0.2(7) . . . . ? C33 N4 C34 C26 177.8(4) . . . . ? C33 N4 C34 C30 -2.2(7) . . . . ? C013 C00V C01D F2 -180.0(5) . . . . ? C013 C00V C01D C00Z -1.6(8) . . . . ? C013 C00X C01F F3 178.6(5) . . . . ? C013 C00X C01F C00Z -1.9(8) . . . . ? C10 C9 C17 N2 175.6(4) . . . . ? C10 C9 C17 C13 -3.6(7) . . . . ? C30 C34 C26 N3 177.8(4) . . . . ? C30 C34 C26 C27 -2.6(7) . . . . ? C30 C31 C32 C33 0.5(8) . . . . ? C12 C13 C14 C15 177.7(5) . . . . ? C27 C28 C29 C30 -1.4(8) . . . . ? C29 C28 C27 C26 0.0(8) . . . . ? C29 C30 C31 C32 179.7(5) . . . . ? C01D C00V C013 F1 -178.9(5) . . . . ? C01D C00V C013 C00X 0.7(9) . . . . ? C01D C00Z C01F F3 -179.4(5) . . . . ? C01D C00Z C01F C00X 1.2(8) . . . . ? C01F C00X C013 F1 -179.4(5) . . . . ? C01F C00X C013 C00V 1.0(8) . . . . ? C01F C00Z C01D F2 179.1(5) . . . . ? C01F C00Z C01D C00V 0.7(8) . . . . ? C14 C13 C12 C11 179.0(5) . . . . ? C31 C30 C29 C28 179.3(5) . . . . ? C5 O2 C4 C6 -13.0(7) . . . . ? C5 O2 C4 C3 166.6(5) . . . . ? C22 O4 C21 C23 -14.7(7) . . . . ? C22 O4 C21 C20 164.7(5) . . . . ?