#------------------------------------------------------------------------------ #$Date: 2020-02-19 02:31:42 +0200 (Wed, 19 Feb 2020) $ #$Revision: 248264 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/55/73/1557329.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_1557329 loop_ _publ_author_name 'Luke, Anna M.' 'Peterson, Appie' 'Chiniforoush, Sina' 'Mandal, Mukunda' 'Popowski, Yanay' 'Sajjad, Hussnain' 'Bouchey, Caitlin J.' 'Shopov, Dimitar Y.' 'Graziano, Brendan J.' 'Yao, Letitia J.' 'Cramer, Christopher J.' 'Reineke, Theresa M.' 'Tolman, William B.' _publ_section_title ; Mechanism of Initiation Stereocontrol in Polymerization of rac-Lactide by Aluminum Complexes Supported by Indolide--Imine Ligands ; _journal_name_full Macromolecules _journal_paper_doi 10.1021/acs.macromol.0c00092 _journal_year 2020 _chemical_formula_moiety 'C36 H38 N4 O5 Al, C H2 Cl2' _chemical_formula_sum 'C37 H40 Al Cl2 N4 O5' _chemical_formula_weight 717.68 _chemical_name_common '1:1 rac-LA:L7AlOBn' _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 _audit_creation_method SHELXL-2018/3 _cell_angle_alpha 100.087(4) _cell_angle_beta 96.082(4) _cell_angle_gamma 90.524(4) _cell_formula_units_Z 2 _cell_length_a 10.6552(10) _cell_length_b 12.4511(12) _cell_length_c 14.8269(16) _cell_measurement_reflns_used 9284 _cell_measurement_temperature 125(2) _cell_measurement_theta_max 29.58 _cell_measurement_theta_min 2.25 _cell_volume 1925.0(3) _computing_cell_refinement 'SAINT, Bruker' _computing_data_collection 'APEX3, Bruker' _computing_data_reduction 'SAINT, Bruker' _computing_molecular_graphics 'Shelxle-(Rev. 825) (Huebschle, C. B.,2011)' _computing_structure_refinement 'SHELXL-2018/3 (Sheldrick, 2018)' _computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)' _diffrn_ambient_temperature 125(2) _diffrn_measured_fraction_theta_full 0.998 _diffrn_measured_fraction_theta_max 0.992 _diffrn_measurement_device_type 'Bruker PHOTON-II' _diffrn_measurement_method '\f and \w scans' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0368 _diffrn_reflns_av_unetI/netI 0.0402 _diffrn_reflns_Laue_measured_fraction_full 0.998 _diffrn_reflns_Laue_measured_fraction_max 0.992 _diffrn_reflns_limit_h_max 14 _diffrn_reflns_limit_h_min -14 _diffrn_reflns_limit_k_max 17 _diffrn_reflns_limit_k_min -14 _diffrn_reflns_limit_l_max 20 _diffrn_reflns_limit_l_min -20 _diffrn_reflns_number 38856 _diffrn_reflns_point_group_measured_fraction_full 0.998 _diffrn_reflns_point_group_measured_fraction_max 0.992 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 29.647 _diffrn_reflns_theta_min 2.253 _diffrn_source 'micro-focus sealed tube' _exptl_absorpt_coefficient_mu 0.236 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details 'SADABS, R. Blessing, 1995' _exptl_crystal_colour yellow _exptl_crystal_density_diffrn 1.238 _exptl_crystal_description plate _exptl_crystal_F_000 752 _exptl_crystal_size_max 0.300 _exptl_crystal_size_mid 0.200 _exptl_crystal_size_min 0.080 _exptl_transmission_factor_max 0.9813 _exptl_transmission_factor_min 0.9316 _refine_diff_density_max 0.981 _refine_diff_density_min -0.441 _refine_diff_density_rms 0.063 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.044 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 503 _refine_ls_number_reflns 10792 _refine_ls_number_restraints 52 _refine_ls_restrained_S_all 1.044 _refine_ls_R_factor_all 0.0790 _refine_ls_R_factor_gt 0.0591 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0641P)^2^+1.7934P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1500 _refine_ls_wR_factor_ref 0.1614 _reflns_Friedel_coverage 0.000 _reflns_number_gt 8226 _reflns_number_total 10792 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file L7AloLAOBn.cif.txt _cod_data_source_block final_a_sq _cod_database_code 1557329 _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 0.9102 _shelx_estimated_absorpt_t_max 0.9821 _shelx_res_file ; TITL final_a.res in P-1 final_a_sq.res created by SHELXL-2018/3 at 14:59:53 on 22-Aug-2019 REM Old TITL final in P-1 REM SHELXT solution in P-1 REM R1 0.172, Rweak 0.012, Alpha 0.058, Orientation as input REM Formula found by SHELXT: C37 Al Cl2 N7 O4 CELL 0.71073 10.6552 12.4511 14.8269 100.087 96.082 90.524 ZERR 2.000 0.0010 0.0012 0.0016 0.004 0.004 0.004 LATT 1 SFAC C H AL CL N O UNIT 74 78.1554 2 4 8 10 LIST 4 ! automatically inserted. Change 6 to 4 for CHECKCIF!! TEMP -148.150 L.S. 40 BOND $H FMAP 2 PLAN 20 ABIN ACTA WGHT 0.064100 1.793400 FVAR 0.54009 0.92406 N1 5 0.316464 0.446852 0.688107 11.00000 0.01941 0.02591 = 0.02501 -0.00087 0.00417 -0.00618 CL1 4 0.023870 0.144713 0.688188 11.00000 0.04276 0.03510 = 0.06805 0.00334 0.02083 0.00124 AL1 3 0.425847 0.334429 0.634165 11.00000 0.01912 0.02023 = 0.02169 0.00163 0.00275 -0.00513 N2 5 0.545487 0.455713 0.610986 11.00000 0.01664 0.02201 = 0.02024 0.00475 0.00109 -0.00187 CL2 4 0.146192 -0.041518 0.591066 11.00000 0.04390 0.03000 = 0.07947 -0.00557 0.00761 0.00362 N3 5 0.563461 0.233457 0.579429 11.00000 0.02025 0.02065 = 0.02717 0.00681 0.00357 -0.00288 N4 5 0.319048 0.296190 0.518750 11.00000 0.01968 0.02194 = 0.02157 0.00258 0.00358 -0.00326 EADP O1 O1' EADP O2 O2' EADP C1 C1' EADP C2 C2' EADP C3 C3' EADP O3 O3' EADP C4 C4' EADP C5 C5' EADP C6 C6' EADP O4 O4' EADP O5 O5' EADP C7 C7' EADP C8 C8' EADP C9 C9' EADP C10 C10' EADP C11 C11' EADP C12 C12' EADP C13 C13' SADI Al1 O1 Al1 O1' 0.1 SADI Al1 O2 Al1 O2' 0.01 PART 1 O1 6 0.366279 0.226386 0.686370 21.00000 0.02846 0.02510 = 0.02039 0.00243 0.00332 -0.00699 O2 6 0.541508 0.363310 0.766786 21.00000 0.02609 0.02872 = 0.02316 0.00530 0.00073 -0.00509 C1 1 0.381056 0.235457 0.781206 21.00000 0.03031 0.02956 = 0.02327 0.00365 0.00805 -0.00436 AFIX 13 H1 2 0.303825 0.268983 0.805714 21.00000 -1.20000 AFIX 0 C2 1 0.397838 0.125373 0.811675 21.00000 0.05439 0.03266 = 0.03243 0.00970 0.00473 -0.00837 AFIX 137 H2A 2 0.328189 0.075397 0.781684 21.00000 -1.50000 H2B 2 0.397986 0.134867 0.878712 21.00000 -1.50000 H2C 2 0.478140 0.095014 0.794238 21.00000 -1.50000 AFIX 0 C3 1 0.492349 0.312560 0.817596 21.00000 0.03185 0.02914 = 0.02058 0.00306 0.00292 -0.00207 O3 6 0.529044 0.322618 0.907151 21.00000 0.04920 0.04318 = 0.02168 0.00679 -0.00315 -0.01465 C4 1 0.641439 0.389452 0.942903 21.00000 0.04401 0.03881 = 0.02677 0.00196 -0.00549 -0.01021 AFIX 13 H4 2 0.635697 0.460921 0.920934 21.00000 -1.20000 AFIX 0 C5 1 0.643894 0.407817 1.047333 21.00000 0.05437 0.05969 = 0.02449 -0.00236 -0.00276 -0.00390 AFIX 137 H5A 2 0.568629 0.446969 1.065516 21.00000 -1.50000 H5B 2 0.719708 0.451082 1.075710 21.00000 -1.50000 H5C 2 0.644925 0.337222 1.067996 21.00000 -1.50000 AFIX 0 C6 1 0.755701 0.328939 0.909265 21.00000 0.05665 0.04558 = 0.02123 0.00971 -0.00324 0.00061 O4 6 0.753532 0.240143 0.862905 21.00000 0.07336 0.04527 = 0.04246 -0.00054 -0.00421 0.00777 O5 6 0.858730 0.391944 0.939179 21.00000 0.04687 0.05861 = 0.03700 0.00807 0.00380 -0.00206 C7 1 0.981603 0.351256 0.915757 21.00000 0.06023 0.10451 = 0.03198 0.01538 0.01373 0.02091 AFIX 23 H7A 2 1.024860 0.406081 0.888032 21.00000 -1.20000 H7AB 2 0.968619 0.283622 0.869118 21.00000 -1.20000 AFIX 0 C8 1 1.064478 0.327791 0.998012 21.00000 0.04516 0.05370 = 0.03895 0.00014 0.00950 -0.00206 C9 1 1.016433 0.305272 1.076271 21.00000 0.04038 0.08348 = 0.04180 0.01145 0.01154 0.00548 AFIX 43 H9 2 0.927812 0.304052 1.079215 21.00000 -1.20000 AFIX 0 C10 1 1.098045 0.284501 1.150354 21.00000 0.05354 0.08145 = 0.04296 0.01423 0.01153 0.01587 AFIX 43 H10 2 1.064242 0.270243 1.203984 21.00000 -1.20000 AFIX 0 C11 1 1.223099 0.284138 1.147819 21.00000 0.05419 0.06780 = 0.05883 0.00783 -0.00612 0.00495 AFIX 43 H11 2 1.277557 0.268515 1.198613 21.00000 -1.20000 AFIX 0 C12 1 1.272763 0.307100 1.069276 21.00000 0.03424 0.07575 = 0.10520 0.02313 0.00343 0.00184 AFIX 43 H12 2 1.361466 0.307684 1.066683 21.00000 -1.20000 AFIX 0 C13 1 1.193121 0.328726 0.996164 21.00000 0.05013 0.06912 = 0.06392 0.01047 0.02382 -0.00514 AFIX 43 H13 2 1.227500 0.344646 0.943271 21.00000 -1.20000 AFIX 0 FLAT C7 > C13 0.01 SAME O1 > C13 PART 2 O1' 6 0.342842 0.241189 0.688527 -21.00000 0.02846 0.02510 = 0.02039 0.00243 0.00332 -0.00699 O2' 6 0.522696 0.366094 0.773651 -21.00000 0.02609 0.02872 = 0.02316 0.00530 0.00073 -0.00509 C1' 1 0.351845 0.246230 0.783737 -21.00000 0.03031 0.02956 = 0.02327 0.00365 0.00805 -0.00436 AFIX 13 H1' 2 0.273661 0.278735 0.807468 -21.00000 -1.20000 AFIX 0 C2' 1 0.368368 0.133742 0.809884 -21.00000 0.05439 0.03266 = 0.03243 0.00970 0.00473 -0.00837 AFIX 137 H2'A 2 0.387637 0.081381 0.755992 -21.00000 -1.50000 H2'B 2 0.290240 0.110413 0.831173 -21.00000 -1.50000 H2'C 2 0.437851 0.137107 0.859298 -21.00000 -1.50000 AFIX 0 C3' 1 0.463699 0.321113 0.823539 -21.00000 0.03185 0.02914 = 0.02058 0.00306 0.00292 -0.00207 O3' 6 0.498797 0.328380 0.913704 -21.00000 0.04920 0.04318 = 0.02168 0.00679 -0.00315 -0.01465 C4' 1 0.623236 0.380725 0.946447 -21.00000 0.04401 0.03881 = 0.02677 0.00196 -0.00549 -0.01021 AFIX 13 H4' 2 0.632346 0.448338 0.919641 -21.00000 -1.20000 AFIX 0 C5' 1 0.622733 0.410762 1.050574 -21.00000 0.05437 0.05969 = 0.02449 -0.00236 -0.00276 -0.00390 AFIX 137 H5'A 2 0.551141 0.457324 1.064543 -21.00000 -1.50000 H5'B 2 0.701675 0.450128 1.077574 -21.00000 -1.50000 H5'C 2 0.615058 0.344148 1.076557 -21.00000 -1.50000 AFIX 0 C6' 1 0.725564 0.301530 0.917526 -21.00000 0.05665 0.04558 = 0.02123 0.00971 -0.00324 0.00061 O4' 6 0.698281 0.216593 0.866611 -21.00000 0.07336 0.04527 = 0.04246 -0.00054 -0.00421 0.00777 O5' 6 0.842457 0.335350 0.955947 -21.00000 0.04687 0.05861 = 0.03700 0.00807 0.00380 -0.00206 C7' 1 0.936857 0.248346 0.946203 -21.00000 0.06023 0.10451 = 0.03198 0.01538 0.01373 0.02091 AFIX 23 H7'A 2 0.899332 0.182280 0.962587 -21.00000 -1.20000 H7'B 2 0.950800 0.230458 0.880354 -21.00000 -1.20000 AFIX 0 FLAT C7' > C13' 0.01 C8' 1 1.059259 0.270413 0.999805 -21.00000 0.04516 0.05370 = 0.03895 0.00014 0.00950 -0.00206 C9' 1 1.101472 0.353701 1.070847 -21.00000 0.04038 0.08348 = 0.04180 0.01145 0.01154 0.00548 AFIX 43 H9' 2 1.043845 0.408358 1.090688 -21.00000 -1.20000 AFIX 0 C10' 1 1.223951 0.362231 1.115206 -21.00000 0.05354 0.08145 = 0.04296 0.01423 0.01153 0.01587 AFIX 43 H10' 2 1.250031 0.420670 1.164186 -21.00000 -1.20000 AFIX 0 C11' 1 1.303816 0.283809 1.085493 -21.00000 0.05419 0.06780 = 0.05883 0.00783 -0.00612 0.00495 AFIX 43 H11' 2 1.388669 0.285518 1.112978 -21.00000 -1.20000 AFIX 0 C12' 1 1.259352 0.200295 1.013712 -21.00000 0.03424 0.07575 = 0.10520 0.02313 0.00343 0.00184 AFIX 23 H12A 2 1.316149 0.200695 0.965071 -21.00000 -1.20000 H12B 2 1.274079 0.131333 1.037290 -21.00000 -1.20000 AFIX 0 C13' 1 1.143160 0.191817 0.971415 -21.00000 0.05013 0.06912 = 0.06392 0.01047 0.02382 -0.00514 AFIX 43 H13' 2 1.118326 0.132845 0.922612 -21.00000 -1.20000 AFIX 0 PART 0 C14 1 0.337838 0.556999 0.705062 11.00000 0.02155 0.02388 = 0.01816 0.00042 -0.00024 -0.00152 C15 1 0.195739 0.432494 0.712460 11.00000 0.02256 0.03360 = 0.02916 -0.00378 0.00620 -0.01021 AFIX 43 H15 2 0.155385 0.363178 0.708295 11.00000 -1.20000 AFIX 0 C16 1 0.141650 0.529392 0.743080 11.00000 0.01916 0.04120 = 0.02917 -0.00437 0.00385 -0.00440 AFIX 43 H16 2 0.059932 0.539018 0.762884 11.00000 -1.20000 AFIX 0 C17 1 0.232452 0.613351 0.739383 11.00000 0.02328 0.03285 = 0.02235 -0.00080 0.00351 0.00056 C18 1 0.237835 0.726904 0.760011 11.00000 0.03543 0.03309 = 0.03496 0.00266 0.00894 0.00656 AFIX 43 H18 2 0.167577 0.765633 0.781999 11.00000 -1.20000 AFIX 0 C19 1 0.346155 0.783287 0.748342 11.00000 0.04569 0.02351 = 0.04305 0.00404 0.01267 0.00407 AFIX 43 H19 2 0.350542 0.860628 0.764295 11.00000 -1.20000 AFIX 0 C20 1 0.448597 0.727915 0.713519 11.00000 0.03513 0.02257 = 0.03219 0.00528 0.00752 -0.00235 AFIX 43 H20 2 0.521301 0.768271 0.705219 11.00000 -1.20000 AFIX 0 C21 1 0.446343 0.614044 0.690569 11.00000 0.02396 0.02198 = 0.02086 0.00334 0.00153 -0.00157 C22 1 0.544220 0.559414 0.642574 11.00000 0.01897 0.02301 = 0.02164 0.00611 -0.00137 -0.00415 AFIX 43 H22 2 0.613798 0.602864 0.633198 11.00000 -1.20000 AFIX 0 C23 1 0.647045 0.422306 0.552590 11.00000 0.02016 0.02317 = 0.02383 0.00595 0.00408 -0.00217 AFIX 23 H23A 2 0.686047 0.488611 0.537693 11.00000 -1.20000 H23B 2 0.608966 0.377859 0.493919 11.00000 -1.20000 AFIX 0 C24 1 0.751328 0.356828 0.595367 11.00000 0.01746 0.02414 = 0.03094 0.00581 0.00329 -0.00053 C25 1 0.838682 0.322830 0.519966 11.00000 0.03063 0.03568 = 0.05072 0.01469 0.01852 0.00726 AFIX 137 H25A 2 0.790732 0.277585 0.466442 11.00000 -1.50000 H25B 2 0.908291 0.281063 0.543714 11.00000 -1.50000 H25C 2 0.872780 0.388142 0.501613 11.00000 -1.50000 AFIX 0 C26 1 0.823614 0.426925 0.679684 11.00000 0.02328 0.03145 = 0.04587 0.00643 -0.00875 -0.00539 AFIX 137 H26A 2 0.861487 0.490890 0.661638 11.00000 -1.50000 H26B 2 0.890308 0.384148 0.705876 11.00000 -1.50000 H26C 2 0.765563 0.450844 0.725796 11.00000 -1.50000 AFIX 0 C27 1 0.694067 0.253776 0.623481 11.00000 0.02108 0.02545 = 0.02960 0.00646 0.00139 -0.00130 AFIX 23 H27A 2 0.745615 0.189807 0.604069 11.00000 -1.20000 H27B 2 0.694830 0.264808 0.691306 11.00000 -1.20000 AFIX 0 C28 1 0.329524 0.202679 0.455242 11.00000 0.02470 0.02036 = 0.02204 0.00423 0.00522 -0.00683 C29 1 0.200959 0.335361 0.493636 11.00000 0.02075 0.02628 = 0.02648 0.00600 0.00430 -0.00167 AFIX 43 H29 2 0.167255 0.399447 0.525904 11.00000 -1.20000 AFIX 0 C30 1 0.138774 0.271305 0.417286 11.00000 0.02357 0.03253 = 0.02708 0.00798 0.00138 -0.00570 AFIX 43 H30 2 0.057619 0.282909 0.387942 11.00000 -1.20000 AFIX 0 C31 1 0.219763 0.183796 0.390506 11.00000 0.02748 0.02712 = 0.02259 0.00503 0.00242 -0.00919 C32 1 0.212921 0.091379 0.320344 11.00000 0.03790 0.03221 = 0.02607 0.00166 -0.00091 -0.01241 AFIX 43 H32 2 0.139647 0.076589 0.277229 11.00000 -1.20000 AFIX 0 C33 1 0.313656 0.022063 0.314489 11.00000 0.04866 0.02495 = 0.02942 -0.00302 0.00469 -0.00995 AFIX 43 H33 2 0.308774 -0.040528 0.267157 11.00000 -1.20000 AFIX 0 C34 1 0.421661 0.042448 0.376589 11.00000 0.03879 0.02020 = 0.02978 0.00211 0.00852 -0.00370 AFIX 43 H34 2 0.490347 -0.005372 0.369968 11.00000 -1.20000 AFIX 0 C35 1 0.431417 0.132400 0.449042 11.00000 0.02930 0.01968 = 0.02547 0.00388 0.00599 -0.00524 C36 1 0.547492 0.154859 0.509694 11.00000 0.02523 0.02062 = 0.02878 0.00580 0.00811 -0.00035 AFIX 43 H36 2 0.616468 0.108746 0.497395 11.00000 -1.20000 AFIX 0 C37 1 0.119162 0.099416 0.598983 11.00000 0.03008 0.02986 = 0.04421 0.00234 0.00379 -0.00462 AFIX 23 H37A 2 0.076690 0.113392 0.539634 11.00000 -1.20000 H37B 2 0.200881 0.140622 0.611568 11.00000 -1.20000 AFIX 0 HKLF 4 REM final_a.res in P-1 REM wR2 = 0.1614, GooF = S = 1.044, Restrained GooF = 1.044 for all data REM R1 = 0.0591 for 8226 Fo > 4sig(Fo) and 0.0790 for all 10792 data REM 503 parameters refined using 52 restraints END WGHT 0.0612 1.8722 REM Highest difference peak 0.981, deepest hole -0.441, 1-sigma level 0.063 Q1 1 0.9346 0.2378 1.0381 11.00000 0.05 0.98 Q2 1 0.9624 0.2289 0.9589 11.00000 0.05 0.60 Q3 1 1.2187 0.2011 1.0138 11.00000 0.05 0.44 Q4 1 1.0653 0.4045 0.9376 11.00000 0.05 0.42 Q5 1 0.9322 0.2927 0.9003 11.00000 0.05 0.41 Q6 1 0.2662 0.1884 0.4282 11.00000 0.05 0.37 Q7 1 0.0754 0.1077 0.7198 11.00000 0.05 0.35 Q8 1 0.4797 0.1449 0.4811 11.00000 0.05 0.33 Q9 1 0.1789 0.2299 0.3996 11.00000 0.05 0.32 Q10 1 0.6984 0.3841 0.5761 11.00000 0.05 0.32 Q11 1 -0.0090 0.1179 0.6282 11.00000 0.05 0.29 Q12 1 0.3863 0.5896 0.6940 11.00000 0.05 0.29 Q13 1 0.3819 0.1734 0.4535 11.00000 0.05 0.29 Q14 1 0.2940 0.5927 0.7274 11.00000 0.05 0.29 Q15 1 0.2589 0.3195 0.5082 11.00000 0.05 0.29 Q16 1 1.1456 -0.0162 1.0020 11.00000 0.05 0.29 Q17 1 0.7175 0.3055 0.6055 11.00000 0.05 0.29 Q18 1 0.3666 0.3889 0.6590 11.00000 0.05 0.29 Q19 1 0.4408 0.6655 0.6917 11.00000 0.05 0.28 Q20 1 0.2600 0.0529 0.3317 11.00000 0.05 0.27 ; _shelx_res_checksum 99619 _shelx_hkl_file ; -2 0 0 146.39 4.90 -2 0 0 145.09 5.00 -2 0 0 140.99 5.40 2 0 0 156.18 5.00 2 0 0 146.89 4.90 -3 0 0 274.97 9.30 -3 0 0 284.77 9.20 -3 0 0 279.17 10.00 3 0 0 270.97 9.00 -4 0 0 47.80 2.40 -4 0 0 46.40 3.10 -4 0 0 47.80 3.10 4 0 0 45.90 2.10 4 0 0 47.90 2.30 -5 0 0 267.87 10.20 -5 0 0 247.58 9.10 -5 0 0 252.17 8.90 5 0 0 252.27 8.90 5 0 0 244.78 8.60 -6 0 0 225.38 10.40 -6 0 0 232.58 8.60 -6 0 0 235.28 8.80 6 0 0 239.68 8.50 6 0 0 233.78 8.20 -7 0 0 177.78 7.40 -7 0 0 181.28 8.60 -7 0 0 179.58 7.10 7 0 0 178.48 7.00 7 0 0 177.98 6.70 -8 0 0 57.99 3.60 -8 0 0 58.49 3.60 8 0 0 51.69 2.90 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5.40 2.60 12 7 0 15.50 3.50 13 7 0 -0.50 2.30 -13 8 0 48.50 5.30 -13 8 0 50.99 4.80 -13 8 0 35.20 6.50 -12 8 0 9.30 2.80 -12 8 0 6.50 3.00 -12 8 0 3.90 3.30 -11 8 0 7.70 2.70 -11 8 0 10.40 2.00 -11 8 0 9.80 3.60 -11 8 0 9.40 3.10 -11 8 0 10.30 2.00 -10 8 0 5.70 3.10 -10 8 0 -0.10 2.10 -10 8 0 6.50 2.40 -10 8 0 5.50 1.80 -10 8 0 0.20 1.60 -10 8 0 6.30 1.60 -9 8 0 13.30 2.80 -9 8 0 18.20 2.90 -9 8 0 14.00 2.90 -9 8 0 15.70 2.40 -9 8 0 11.70 3.40 -8 8 0 95.39 5.80 -8 8 0 97.49 6.70 -8 8 0 90.59 5.70 -8 8 0 87.39 4.90 -7 8 0 45.30 4.20 -7 8 0 39.10 4.10 -7 8 0 50.19 4.00 -7 8 0 36.40 3.30 -6 8 0 64.39 4.40 -6 8 0 62.49 4.70 -6 8 0 59.09 4.60 -5 8 0 186.48 8.10 -5 8 0 174.68 8.20 -4 8 0 158.98 7.00 -4 8 0 150.38 7.70 -4 8 0 154.68 7.10 3 -8 0 4.40 1.40 -3 8 0 5.90 1.80 -3 8 0 2.80 1.80 -3 8 0 4.10 1.30 2 -8 0 54.39 3.50 -2 8 0 57.99 3.80 -2 8 0 64.79 4.40 -2 8 0 56.49 2.90 1 -8 0 36.30 2.20 1 -8 0 29.70 2.90 1 -8 0 36.20 2.70 -1 8 0 36.70 4.30 -1 8 0 29.80 2.20 -1 8 0 35.00 2.90 0 -8 0 19.20 3.00 0 -8 0 25.10 1.70 0 -8 0 24.00 2.30 0 8 0 23.40 3.60 0 8 0 23.60 2.70 0 8 0 22.20 3.30 -1 -8 0 159.58 7.30 1 8 0 167.48 7.70 -2 -8 0 43.30 3.30 -2 -8 0 46.60 2.70 2 8 0 46.50 4.10 2 8 0 41.10 3.80 -3 -8 0 171.28 7.00 3 8 0 157.98 9.50 3 8 0 172.28 9.30 3 8 0 162.18 8.40 -4 -8 0 135.39 6.50 4 8 0 139.09 7.70 4 8 0 145.29 7.70 4 8 0 135.79 7.70 -5 -8 0 52.39 4.50 5 8 0 52.79 4.80 5 8 0 45.70 4.40 5 8 0 54.49 4.70 -6 -8 0 62.09 4.80 6 8 0 60.79 5.10 6 8 0 64.29 5.20 6 8 0 65.29 5.60 7 8 0 2.60 2.30 7 8 0 0.20 1.90 7 8 0 0.10 1.90 8 8 0 16.70 4.00 8 8 0 17.00 3.40 8 8 0 19.00 3.30 9 8 0 20.80 4.30 9 8 0 16.10 3.60 9 8 0 11.70 2.70 10 8 0 8.70 2.60 11 8 0 5.80 2.40 11 8 0 0.60 1.50 12 8 0 4.90 2.80 -12 9 0 54.89 5.10 -12 9 0 49.60 7.40 -12 9 0 45.40 5.10 -11 9 0 23.70 5.20 -11 9 0 26.60 4.00 -11 9 0 18.50 3.80 -10 9 0 1.30 2.10 -10 9 0 2.30 2.30 -10 9 0 2.80 2.70 -10 9 0 4.00 1.80 -10 9 0 0.70 2.80 -9 9 0 6.80 2.50 -9 9 0 1.60 2.20 -9 9 0 -2.80 1.40 -9 9 0 -0.40 2.10 -9 9 0 2.20 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2.70 9 10 0 3.00 3.20 9 10 0 5.90 3.00 10 10 0 10.00 3.10 10 10 0 3.80 2.60 10 10 0 9.40 3.70 11 10 0 2.30 2.60 11 10 0 4.70 2.90 -11 11 0 2.90 2.70 -11 11 0 -2.00 2.10 -11 11 0 4.50 3.00 -11 11 0 1.50 1.90 -10 11 0 -2.80 1.80 -10 11 0 4.00 2.90 -10 11 0 2.90 2.40 -10 11 0 3.70 2.50 -9 11 0 19.70 3.70 -9 11 0 21.00 4.10 -9 11 0 21.70 3.50 -9 11 0 21.60 3.80 -9 11 0 16.70 3.90 -8 11 0 24.50 3.70 -8 11 0 20.20 3.60 -8 11 0 20.30 4.10 -8 11 0 18.70 3.90 -8 11 0 22.70 3.70 -7 11 0 27.90 4.40 -7 11 0 35.10 4.60 -7 11 0 25.70 3.90 -7 11 0 23.20 4.60 -7 11 0 24.80 3.70 -6 11 0 51.19 4.90 -6 11 0 55.29 4.90 -6 11 0 61.19 5.90 -6 11 0 54.99 4.10 -6 11 0 60.09 4.70 -5 11 0 111.99 5.70 -5 11 0 102.89 6.20 -5 11 0 107.19 7.10 -5 11 0 106.99 7.70 -4 11 0 218.98 11.80 -4 11 0 214.28 9.70 -4 11 0 207.88 10.70 -4 11 0 207.78 8.40 -3 11 0 98.29 4.50 -3 11 0 88.89 7.10 -3 11 0 100.79 6.10 -3 11 0 109.19 7.10 -2 11 0 117.09 8.30 -2 11 0 128.29 7.00 -2 11 0 123.69 7.80 -2 11 0 122.19 5.00 -1 11 0 3.30 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178.48 11.40 3 14 0 189.98 11.20 3 14 0 199.48 12.40 4 14 0 11.70 4.00 4 14 0 18.30 4.90 4 14 0 21.80 4.80 5 14 0 78.29 7.80 5 14 0 85.49 7.60 5 14 0 88.19 7.80 6 14 0 7.50 3.30 6 14 0 9.00 3.10 6 14 0 2.60 3.40 7 14 0 8.70 4.10 7 14 0 14.30 4.60 7 14 0 26.80 5.70 8 14 0 0.90 3.10 8 14 0 4.30 3.40 -7 15 0 11.70 4.00 -7 15 0 11.90 3.70 -7 15 0 9.70 4.10 -7 15 0 12.60 4.20 -6 15 0 11.60 4.20 -6 15 0 7.50 3.80 -6 15 0 12.60 3.90 -6 15 0 13.20 4.30 -5 15 0 10.50 3.90 -5 15 0 -0.70 2.40 -5 15 0 3.90 3.00 -4 15 0 8.90 4.30 -4 15 0 8.90 3.10 -4 15 0 16.00 4.00 -3 15 0 -2.30 2.50 -3 15 0 2.30 2.70 -3 15 0 0.60 3.10 -2 15 0 44.90 6.60 -2 15 0 35.40 6.50 -2 15 0 48.70 5.20 -1 15 0 8.80 3.40 -1 15 0 16.00 4.50 -1 15 0 8.20 3.20 0 15 0 0.40 2.80 0 15 0 1.50 2.80 0 15 0 -2.60 2.70 1 15 0 11.30 3.70 1 15 0 4.70 3.10 1 15 0 10.10 3.40 2 15 0 4.80 3.60 2 15 0 2.10 3.10 2 15 0 0.00 2.50 3 15 0 -2.00 3.10 3 15 0 4.70 3.20 3 15 0 6.70 3.30 4 15 0 -1.90 3.10 4 15 0 -4.40 2.70 4 15 0 8.50 3.80 5 15 0 18.30 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3.20 -5 16 -4 2.60 2.90 7 15 -4 5.70 3.60 7 15 -4 3.90 3.40 7 15 -4 3.70 3.90 6 15 -4 0.00 3.10 6 15 -4 -3.60 2.00 6 15 -4 -0.60 2.60 5 15 -4 9.40 4.10 5 15 -4 4.60 2.90 5 15 -4 8.40 3.80 4 15 -4 -0.50 2.60 4 15 -4 -1.80 2.70 3 15 -4 10.30 3.70 3 15 -4 8.70 3.30 3 15 -4 8.90 3.40 2 15 -4 134.59 10.00 2 15 -4 129.69 9.20 2 15 -4 129.89 8.10 1 15 -4 12.50 3.40 1 15 -4 11.00 3.60 1 15 -4 10.40 3.80 0 15 -4 3.10 2.40 0 15 -4 3.00 2.80 0 15 -4 1.60 2.80 -1 15 -4 18.30 4.10 -1 15 -4 20.40 4.90 -1 15 -4 14.90 3.00 -2 15 -4 16.70 3.20 -2 15 -4 22.90 5.30 -2 15 -4 16.60 4.50 -3 15 -4 20.80 4.90 -3 15 -4 13.90 4.00 -3 15 -4 15.90 3.00 -4 15 -4 5.20 3.50 -4 15 -4 13.20 2.70 -4 15 -4 6.10 3.10 -4 15 -4 8.60 3.60 -5 15 -4 3.90 2.90 -5 15 -4 4.30 3.10 -5 15 -4 4.70 3.20 -5 15 -4 3.60 2.20 -6 15 -4 3.80 2.10 -6 15 -4 2.70 3.00 -6 15 -4 3.80 3.10 -6 15 -4 -1.80 2.70 -7 15 -4 2.30 2.60 -7 15 -4 1.80 3.00 -7 15 -4 -6.00 2.10 8 14 -4 66.89 6.60 8 14 -4 64.49 9.50 -8 -14 4 69.09 6.20 7 14 -4 50.19 6.90 7 14 -4 33.80 5.80 7 14 -4 27.30 4.90 -7 -14 4 37.20 4.30 6 14 -4 3.80 3.20 6 14 -4 -3.30 1.30 6 14 -4 2.30 2.90 -6 -14 4 -0.90 1.50 5 14 -4 1.10 2.60 5 14 -4 7.20 3.50 4 14 -4 6.90 3.20 4 14 -4 4.10 2.60 4 14 -4 0.60 2.80 3 14 -4 101.89 7.20 3 14 -4 103.19 7.90 3 14 -4 104.99 8.20 2 14 -4 38.00 5.80 2 14 -4 33.10 5.60 2 14 -4 29.40 4.80 1 14 -4 164.98 9.00 1 14 -4 180.68 10.40 1 14 -4 182.08 11.20 0 14 -4 202.18 12.30 0 14 -4 214.98 11.70 0 14 -4 218.38 10.20 -1 14 -4 4.90 2.30 -1 14 -4 8.00 3.50 -2 14 -4 4.50 2.00 -2 14 -4 -0.80 2.00 -2 14 -4 5.30 3.30 -3 14 -4 1.40 2.40 -3 14 -4 0.50 1.80 -3 14 -4 0.00 2.20 -4 14 -4 0.10 2.80 -4 14 -4 -0.40 1.80 -4 14 -4 -0.70 1.70 -4 14 -4 2.40 3.00 -5 14 -4 1.10 2.80 -5 14 -4 3.70 3.10 -5 14 -4 5.20 3.00 -5 14 -4 1.70 1.90 -6 14 -4 7.80 3.30 -6 14 -4 7.90 3.10 -6 14 -4 5.30 3.10 -7 14 -4 11.10 3.70 -7 14 -4 5.00 2.20 -7 14 -4 7.30 3.30 -7 14 -4 13.90 3.80 -8 14 -4 2.00 2.80 -8 14 -4 9.60 2.50 -8 14 -4 2.00 3.10 9 13 -4 4.70 3.10 9 13 -4 5.30 3.00 -9 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-4 53.49 4.20 -7 13 -4 77.29 6.20 -8 13 -4 -0.20 2.60 -8 13 -4 -5.30 2.50 -8 13 -4 2.70 2.00 -8 13 -4 3.00 2.70 -8 13 -4 -0.50 1.80 -9 13 -4 -1.90 2.20 -9 13 -4 -0.40 3.00 -9 13 -4 1.20 2.40 -9 13 -4 3.50 2.90 -9 13 -4 2.60 2.20 10 12 -4 -0.70 2.50 10 12 -4 0.30 2.20 -10 -12 4 7.10 3.70 9 12 -4 6.00 4.90 9 12 -4 5.90 2.80 -9 -12 4 5.60 3.30 8 12 -4 6.20 3.10 8 12 -4 5.30 2.80 -8 -12 4 4.70 3.10 7 12 -4 0.20 2.40 7 12 -4 4.30 3.20 7 12 -4 1.00 1.80 6 12 -4 0.30 2.40 6 12 -4 -1.20 1.90 6 12 -4 1.20 2.50 -6 -12 4 1.00 1.70 -6 -12 4 2.70 2.00 5 12 -4 124.99 8.00 5 12 -4 119.29 9.10 5 12 -4 126.59 8.40 -5 -12 4 132.39 5.90 -5 -12 4 122.69 5.70 4 12 -4 2.60 2.20 4 12 -4 9.90 3.30 4 12 -4 4.30 2.50 3 12 -4 4.40 2.70 3 12 -4 -0.20 2.50 3 12 -4 4.90 2.40 2 12 -4 4.20 2.60 2 12 -4 -3.00 1.50 2 12 -4 1.70 2.10 1 12 -4 79.49 5.40 1 12 -4 78.09 6.40 1 12 -4 74.09 6.40 0 12 -4 1.50 1.60 0 12 -4 0.60 1.80 0 12 -4 0.70 1.80 0 -12 4 -1.80 1.50 -1 12 -4 47.30 5.30 -1 12 -4 57.69 5.30 -1 12 -4 55.79 4.10 1 -12 4 61.89 3.90 -2 12 -4 50.79 3.90 -2 12 -4 58.19 5.30 -2 12 -4 52.99 5.60 -3 12 -4 0.70 2.00 -3 12 -4 1.90 1.80 -3 12 -4 -4.20 1.80 -4 12 -4 4.50 2.90 -4 12 -4 2.10 1.50 -4 12 -4 5.40 2.60 -4 12 -4 0.30 2.00 -5 12 -4 17.70 3.50 -5 12 -4 24.70 4.40 -5 12 -4 27.10 4.80 -5 12 -4 17.90 2.00 -5 12 -4 20.80 3.00 -5 12 -4 19.10 2.00 -6 12 -4 32.20 2.80 -6 12 -4 28.00 2.80 -6 12 -4 32.40 3.10 -6 12 -4 32.20 4.60 -6 12 -4 34.50 5.00 -6 12 -4 28.20 4.60 -7 12 -4 2.30 2.60 -7 12 -4 3.10 1.90 -7 12 -4 6.10 2.80 -7 12 -4 8.20 2.90 -8 12 -4 52.39 4.80 -8 12 -4 75.09 6.00 -8 12 -4 78.79 5.70 -8 12 -4 65.69 4.60 -8 12 -4 75.39 6.20 -9 12 -4 1.40 2.40 -9 12 -4 0.30 2.10 -9 12 -4 4.20 2.10 -9 12 -4 2.00 2.40 -10 12 -4 15.90 3.20 -10 12 -4 16.60 3.60 -10 12 -4 11.60 2.90 -10 12 -4 13.00 3.10 -10 12 -4 14.00 3.80 11 11 -4 4.50 2.30 11 11 -4 11.00 3.40 -11 -11 4 10.00 4.30 10 11 -4 8.90 3.60 10 11 -4 11.20 3.10 -10 -11 4 17.30 4.50 9 11 -4 0.60 2.00 9 11 -4 6.20 2.90 -9 -11 4 6.60 3.00 8 11 -4 26.30 4.50 8 11 -4 29.60 4.80 -8 -11 4 26.10 4.80 7 11 -4 44.70 5.00 7 11 -4 43.70 4.60 7 11 -4 45.30 5.00 -7 -11 4 41.00 5.60 6 11 -4 158.98 9.30 6 11 -4 151.58 9.40 6 11 -4 169.38 9.60 -6 -11 4 163.28 8.20 5 11 -4 21.00 4.20 5 11 -4 20.90 4.10 5 11 -4 17.50 4.00 -5 -11 4 25.40 3.10 -5 -11 4 24.40 2.90 4 11 -4 153.08 8.40 4 11 -4 131.39 8.50 4 11 -4 145.49 8.60 -4 -11 4 143.29 5.90 -4 -11 4 133.99 5.70 3 11 -4 58.89 5.40 3 11 -4 64.09 5.40 3 11 -4 59.99 4.90 2 11 -4 94.79 7.00 2 11 -4 81.49 6.10 -2 -11 4 85.99 5.90 1 11 -4 -1.70 2.00 1 11 -4 1.50 2.30 1 11 -4 -0.90 1.60 -1 -11 4 0.50 1.30 0 11 -4 23.40 4.40 0 11 -4 27.00 3.50 0 11 -4 18.10 3.90 -1 11 -4 -1.80 1.70 -1 11 -4 4.50 1.60 -1 11 -4 1.20 2.10 1 -11 4 1.70 1.20 -2 11 -4 7.20 1.90 -2 11 -4 4.30 2.50 -2 11 -4 4.40 2.10 2 -11 4 6.60 1.50 -3 11 -4 10.00 2.60 -3 11 -4 10.60 3.20 -3 11 -4 12.70 2.10 -4 11 -4 5.00 2.80 -4 11 -4 0.40 2.10 -4 11 -4 0.80 2.40 -4 11 -4 1.70 1.50 -5 11 -4 0.80 1.20 -5 11 -4 0.10 2.10 -5 11 -4 4.20 2.00 -5 11 -4 1.90 2.00 -5 11 -4 0.00 1.20 -5 11 -4 1.80 1.50 -6 11 -4 163.68 7.40 -6 11 -4 166.08 7.80 -6 11 -4 173.08 8.60 -6 11 -4 174.48 9.50 -6 11 -4 156.78 7.60 -6 11 -4 165.88 9.00 -7 11 -4 91.99 6.20 -7 11 -4 85.49 4.90 -7 11 -4 104.19 6.20 -7 11 -4 89.99 6.20 -7 11 -4 76.89 6.10 -8 11 -4 1.80 2.10 -8 11 -4 6.80 2.50 -8 11 -4 3.30 1.90 -8 11 -4 2.70 2.50 -8 11 -4 1.10 2.10 -9 11 -4 5.40 2.50 -9 11 -4 -2.70 1.80 -9 11 -4 2.80 2.20 -9 11 -4 1.50 2.10 -9 11 -4 2.10 1.80 -10 11 -4 7.40 2.40 -10 11 -4 4.40 2.20 -10 11 -4 6.70 2.60 -10 11 -4 2.40 2.10 -10 11 -4 1.90 3.10 -11 11 -4 22.30 3.60 -11 11 -4 13.60 2.80 -11 11 -4 22.50 6.40 -11 11 -4 28.80 5.10 12 10 -4 99.39 6.20 12 10 -4 106.09 7.90 -12 -10 4 133.59 10.30 11 10 -4 35.90 4.00 11 10 -4 39.00 5.40 -11 -10 4 47.50 7.10 10 10 -4 19.50 3.50 10 10 -4 15.20 3.50 -10 -10 4 27.90 5.30 9 10 -4 14.80 3.90 9 10 -4 12.60 2.90 -9 -10 4 9.40 3.30 8 10 -4 49.20 6.10 8 10 -4 33.50 4.60 -8 -10 4 43.00 5.10 7 10 -4 82.79 6.40 7 10 -4 76.89 5.80 7 10 -4 84.49 6.60 -7 -10 4 88.79 6.40 6 10 -4 4.20 2.90 6 10 -4 0.80 1.60 6 10 -4 0.70 1.80 -6 -10 4 1.90 1.90 -6 -10 4 0.50 1.90 5 10 -4 0.50 1.70 5 10 -4 -0.50 2.00 5 10 -4 -0.10 2.20 -5 -10 4 3.50 1.50 -5 -10 4 1.40 1.50 4 10 -4 0.00 1.90 4 10 -4 4.70 2.30 4 10 -4 1.00 1.90 -4 -10 4 0.20 1.10 -4 -10 4 0.20 1.10 3 10 -4 177.68 9.90 3 10 -4 210.28 10.50 3 10 -4 206.08 10.10 -3 -10 4 182.58 6.60 -3 -10 4 193.78 6.80 2 10 -4 303.67 13.30 2 10 -4 308.57 13.90 2 10 -4 302.67 12.40 -2 -10 4 289.77 11.80 1 10 -4 45.80 3.70 1 10 -4 43.80 4.20 1 10 -4 47.10 4.70 -1 -10 4 45.00 3.30 0 10 -4 23.40 3.00 0 10 -4 19.30 3.60 0 10 -4 25.10 4.10 0 -10 4 21.90 2.60 -1 10 -4 13.50 3.30 -1 10 -4 19.10 3.60 -1 10 -4 18.50 2.60 1 -10 4 18.30 2.30 -2 10 -4 45.90 4.20 -2 10 -4 56.49 3.40 -2 10 -4 53.49 5.00 2 -10 4 50.59 3.10 -3 10 -4 -0.60 1.00 -3 10 -4 -0.20 1.50 -3 10 -4 -0.70 1.70 -4 10 -4 127.79 7.00 -4 10 -4 121.39 7.40 -4 10 -4 125.19 5.60 -4 10 -4 122.49 5.30 -4 10 -4 116.49 7.40 -4 10 -4 118.19 5.20 -5 10 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30.60 3.20 -2 -7 7 29.20 2.20 -2 -7 7 33.60 2.30 1 7 -7 0.20 1.30 1 7 -7 0.90 0.70 1 7 -7 2.60 1.50 1 7 -7 0.90 2.10 -1 -7 7 0.80 0.70 -1 -7 7 -1.00 1.20 -1 -7 7 0.40 0.80 0 7 -7 4.20 2.00 0 7 -7 4.20 1.80 0 7 -7 5.90 1.80 0 7 -7 5.60 1.10 0 -7 7 2.20 1.50 0 -7 7 5.20 1.20 0 -7 7 4.70 0.70 -1 7 -7 118.89 6.60 -1 7 -7 116.79 5.00 -1 7 -7 115.09 6.50 -1 7 -7 126.19 5.80 1 -7 7 119.29 5.80 -2 7 -7 20.50 2.50 -2 7 -7 27.50 3.80 -2 7 -7 17.10 3.10 -2 7 -7 17.60 1.80 2 -7 7 21.90 2.60 -3 7 -7 2.90 1.40 -3 7 -7 3.60 1.30 -3 7 -7 3.00 1.90 -3 7 -7 1.40 1.60 3 -7 7 3.00 1.40 -4 7 -7 87.39 4.10 -4 7 -7 89.49 5.40 -4 7 -7 87.49 7.30 -4 7 -7 78.79 4.80 -5 7 -7 101.89 5.70 -5 7 -7 89.89 3.60 -5 7 -7 91.79 3.70 -5 7 -7 102.19 4.20 -5 7 -7 97.59 5.70 5 -7 7 89.69 7.00 -6 7 -7 0.50 1.90 -6 7 -7 -0.20 0.90 -6 7 -7 0.90 0.80 -6 7 -7 1.70 1.30 -7 7 -7 2.10 1.20 -7 7 -7 -0.90 1.00 -7 7 -7 2.00 1.40 -7 7 -7 2.50 1.90 -8 7 -7 -0.30 1.70 -8 7 -7 1.30 1.20 -8 7 -7 -0.80 1.40 -9 7 -7 1.10 1.90 -9 7 -7 5.40 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9 -9 8.20 2.90 -6 -9 9 12.80 3.00 5 9 -9 13.00 2.80 5 9 -9 14.70 3.10 -5 -9 9 15.20 2.80 4 9 -9 63.19 5.60 4 9 -9 60.89 5.10 4 9 -9 71.29 5.20 -4 -9 9 61.29 4.30 -4 -9 9 62.79 4.00 3 9 -9 6.50 2.70 3 9 -9 8.10 2.60 3 9 -9 5.20 2.20 -3 -9 9 4.80 1.70 -3 -9 9 3.90 1.50 2 9 -9 19.70 3.40 2 9 -9 17.70 3.70 2 9 -9 20.20 3.80 -2 -9 9 23.60 2.30 -2 -9 9 21.40 2.00 1 9 -9 0.40 1.10 1 9 -9 0.60 1.90 1 9 -9 1.10 1.60 1 9 -9 1.10 1.60 -1 -9 9 3.20 1.20 0 9 -9 74.89 3.80 0 9 -9 75.49 5.80 0 9 -9 72.29 4.90 0 9 -9 81.19 5.60 -1 9 -9 51.59 3.10 -1 9 -9 49.40 4.30 -1 9 -9 49.99 4.70 1 -9 9 50.19 4.60 -2 9 -9 2.30 2.10 -2 9 -9 2.70 1.50 -2 9 -9 -0.60 1.60 -2 9 -9 -0.30 1.10 2 -9 9 0.30 1.60 -3 9 -9 233.98 10.70 -3 9 -9 211.18 8.90 -3 9 -9 230.48 9.30 -3 9 -9 234.98 10.90 -4 9 -9 59.49 3.70 -4 9 -9 64.79 5.10 -4 9 -9 57.59 4.00 -4 9 -9 66.79 5.00 4 -9 9 62.19 3.90 -5 9 -9 180.58 8.90 -5 9 -9 190.78 9.40 -5 9 -9 180.08 7.20 -5 9 -9 176.08 8.30 -6 9 -9 41.60 4.50 -6 9 -9 34.20 4.10 -6 9 -9 27.40 2.00 -7 9 -9 9.20 2.40 -7 9 -9 9.20 3.10 -8 9 -9 20.90 3.80 -8 9 -9 24.00 3.30 -9 9 -9 2.70 1.70 -9 9 -9 4.30 2.70 -10 9 -9 1.50 1.60 -10 9 -9 4.80 3.20 12 8 -9 9.10 2.20 12 8 -9 6.80 3.50 12 8 -9 8.60 2.80 -12 -8 9 4.70 3.70 11 8 -9 4.20 2.00 11 8 -9 4.90 2.80 11 8 -9 3.80 2.20 -11 -8 9 3.10 3.10 10 8 -9 10.60 3.10 10 8 -9 10.30 3.10 10 8 -9 11.50 2.40 -10 -8 9 10.00 3.70 9 8 -9 0.90 1.60 9 8 -9 2.30 2.10 -9 -8 9 2.80 2.40 8 8 -9 19.80 3.30 8 8 -9 9.80 2.90 -8 -8 9 18.30 3.80 7 8 -9 1.70 2.20 7 8 -9 0.80 1.60 -7 -8 9 2.30 2.10 6 8 -9 4.60 2.00 6 8 -9 8.50 2.50 -6 -8 9 3.60 2.40 5 8 -9 336.77 14.50 5 8 -9 332.37 14.10 5 8 -9 349.17 14.40 -5 -8 9 351.56 13.70 4 8 -9 176.88 8.80 4 8 -9 169.08 9.00 4 8 -9 177.08 8.80 -4 -8 9 187.38 8.00 -4 -8 9 170.08 8.10 3 8 -9 23.10 3.60 3 8 -9 18.80 3.70 3 8 -9 22.00 3.40 -3 -8 9 23.00 2.80 -3 -8 9 20.30 2.80 2 8 -9 0.10 1.60 2 8 -9 1.80 1.30 2 8 -9 2.60 1.80 2 8 -9 -0.90 1.30 -2 -8 9 2.70 1.10 -2 -8 9 1.10 1.30 1 8 -9 4.50 2.10 1 8 -9 2.20 1.60 1 8 -9 7.10 1.70 1 8 -9 2.30 2.00 -1 -8 9 10.80 1.80 0 8 -9 0.10 1.60 0 8 -9 0.80 1.10 0 8 -9 -0.20 1.10 0 8 -9 0.40 1.40 0 -8 9 1.90 1.60 0 -8 9 1.00 1.10 -1 8 -9 5.70 2.40 -1 8 -9 7.40 1.90 -1 8 -9 5.20 1.40 -1 8 -9 6.10 2.40 1 -8 9 7.20 1.80 -2 8 -9 225.48 9.10 -2 8 -9 231.18 9.30 -2 8 -9 244.98 10.70 -2 8 -9 239.38 10.70 2 -8 9 217.18 9.50 -3 8 -9 11.70 2.70 -3 8 -9 9.70 2.80 -3 8 -9 11.80 1.90 -3 8 -9 15.60 2.30 3 -8 9 18.70 2.40 -4 8 -9 23.80 3.20 -4 8 -9 28.90 4.20 -4 8 -9 30.30 2.30 -4 8 -9 32.50 3.40 4 -8 9 30.70 2.40 -5 8 -9 41.50 3.90 -5 8 -9 37.90 2.30 -5 8 -9 33.70 3.70 -5 8 -9 40.60 4.10 -6 8 -9 156.68 7.70 -6 8 -9 170.88 8.70 -7 8 -9 8.00 2.00 -7 8 -9 6.50 2.60 -8 8 -9 11.10 1.50 -8 8 -9 8.30 1.50 -8 8 -9 7.10 3.30 -8 8 -9 6.90 1.90 -9 8 -9 13.50 3.40 -9 8 -9 9.00 1.90 -9 8 -9 7.80 1.60 -10 8 -9 27.20 2.70 -10 8 -9 24.50 4.10 -10 8 -9 24.40 2.70 -11 8 -9 0.50 2.50 12 7 -9 16.60 4.10 12 7 -9 18.40 2.60 -12 -7 9 10.70 4.10 11 7 -9 2.00 1.80 11 7 -9 -2.30 1.30 11 7 -9 5.70 2.40 -11 -7 9 -1.60 2.50 10 7 -9 72.29 5.30 10 7 -9 81.49 6.10 10 7 -9 71.89 4.60 -10 -7 9 82.09 7.00 9 7 -9 7.90 2.20 9 7 -9 4.40 2.20 9 7 -9 12.10 2.80 -9 -7 9 12.40 3.10 8 7 -9 15.30 3.30 8 7 -9 16.00 2.70 8 7 -9 16.40 3.30 -8 -7 9 18.70 3.60 7 7 -9 12.00 2.80 7 7 -9 7.40 2.70 7 7 -9 10.60 2.60 -7 -7 9 9.70 2.80 6 7 -9 78.29 5.40 6 7 -9 72.79 5.50 6 7 -9 78.09 5.00 -6 -7 9 84.89 5.70 5 7 -9 100.69 5.90 5 7 -9 100.09 6.30 5 7 -9 101.29 6.10 -5 -7 9 88.99 6.50 -5 -7 9 105.29 6.00 4 7 -9 24.40 3.70 4 7 -9 27.80 3.70 4 7 -9 19.20 3.40 -4 -7 9 26.80 3.40 -4 -7 9 29.50 5.20 3 7 -9 12.10 2.70 3 7 -9 9.90 2.40 3 7 -9 16.60 3.00 3 7 -9 15.10 3.20 -3 -7 9 13.00 2.30 -3 -7 9 14.60 2.30 2 7 -9 80.09 5.30 2 7 -9 78.99 4.70 2 7 -9 82.69 5.30 2 7 -9 87.09 5.00 -2 -7 9 80.89 4.10 -2 -7 9 82.09 4.50 1 7 -9 221.28 9.20 1 7 -9 228.78 10.10 1 7 -9 236.08 9.70 1 7 -9 227.88 10.30 -1 -7 9 225.08 10.00 -1 -7 9 237.18 9.10 -1 -7 9 224.28 9.20 0 7 -9 72.69 4.20 0 7 -9 73.29 4.30 0 7 -9 76.19 5.10 0 7 -9 79.29 5.00 0 -7 9 81.69 4.40 0 -7 9 67.29 4.50 -1 7 -9 4.70 2.00 -1 7 -9 3.90 2.00 -1 7 -9 5.20 1.60 -1 7 -9 3.50 1.50 1 -7 9 2.10 1.50 1 -7 9 4.10 1.70 -2 7 -9 67.09 4.90 -2 7 -9 62.09 3.90 -2 7 -9 66.19 4.70 -2 7 -9 65.99 3.70 2 -7 9 64.99 4.00 -3 7 -9 48.20 3.70 -3 7 -9 55.39 4.20 -3 7 -9 52.29 3.00 -3 7 -9 49.80 4.30 3 -7 9 56.99 3.30 -4 7 -9 183.48 8.50 -4 7 -9 196.38 9.00 -4 7 -9 176.08 6.90 -4 7 -9 191.78 8.60 4 -7 9 193.18 7.10 -5 7 -9 134.19 4.90 -5 7 -9 122.49 6.50 -5 7 -9 128.19 7.10 -6 7 -9 35.60 4.00 -6 7 -9 36.80 3.30 -7 7 -9 -0.50 2.20 -7 7 -9 -0.30 0.90 -7 7 -9 0.30 0.80 -7 7 -9 0.60 1.30 -8 7 -9 14.80 3.20 -8 7 -9 9.20 1.90 -9 7 -9 -0.40 1.30 -10 7 -9 11.40 3.50 -10 7 -9 8.90 1.70 -11 7 -9 1.50 2.80 13 6 -9 14.20 3.10 -13 -6 9 20.10 5.60 12 6 -9 12.50 2.30 12 6 -9 24.60 4.50 12 6 -9 19.40 2.70 -12 -6 9 25.00 5.40 11 6 -9 5.60 2.00 11 6 -9 6.20 1.90 11 6 -9 6.40 2.60 -11 -6 9 5.00 3.10 10 6 -9 1.80 2.00 10 6 -9 -2.00 1.10 10 6 -9 0.60 1.70 10 6 -9 -0.80 2.00 -10 -6 9 -1.20 1.90 9 6 -9 14.00 2.70 9 6 -9 17.80 2.60 9 6 -9 16.50 3.00 -9 -6 9 14.30 3.40 8 6 -9 -0.50 2.00 8 6 -9 4.40 1.70 8 6 -9 2.70 1.80 8 6 -9 1.60 1.80 -8 -6 9 1.30 2.30 7 6 -9 41.00 3.60 7 6 -9 44.00 4.10 7 6 -9 42.20 3.60 -7 -6 9 40.10 4.50 6 6 -9 3.30 1.80 6 6 -9 4.00 1.90 6 6 -9 4.40 1.60 -6 -6 9 4.50 2.10 5 6 -9 7.20 2.30 5 6 -9 5.00 1.90 5 6 -9 7.80 2.30 -5 -6 9 9.00 2.40 -5 -6 9 5.50 2.00 4 6 -9 184.28 8.20 4 6 -9 168.28 8.60 4 6 -9 174.38 8.30 4 6 -9 169.58 8.00 -4 -6 9 165.08 8.70 -4 -6 9 177.38 8.10 3 6 -9 264.77 10.70 3 6 -9 240.98 10.70 3 6 -9 242.88 10.60 -3 -6 9 280.47 10.50 -3 -6 9 247.18 10.10 2 6 -9 22.50 3.90 2 6 -9 21.60 2.60 2 6 -9 24.90 3.10 2 6 -9 26.30 3.20 -2 -6 9 23.80 3.20 -2 -6 9 27.70 3.10 -2 -6 9 24.10 2.20 1 6 -9 99.49 5.20 1 6 -9 100.49 5.70 1 6 -9 96.79 5.60 1 6 -9 93.49 5.10 -1 -6 9 98.99 5.50 -1 -6 9 101.39 4.00 -1 -6 9 103.99 5.20 0 6 -9 54.59 3.60 0 6 -9 67.39 4.50 0 6 -9 69.29 3.80 0 6 -9 67.39 4.40 0 -6 9 59.59 4.00 0 -6 9 59.19 3.90 -1 6 -9 150.58 6.40 -1 6 -9 147.39 7.20 -1 6 -9 147.39 6.80 -1 6 -9 155.08 7.50 1 -6 9 171.58 7.50 1 -6 9 148.39 6.80 -2 6 -9 37.40 3.50 -2 6 -9 43.20 2.60 -2 6 -9 41.00 3.30 -2 6 -9 48.00 3.60 2 -6 9 46.80 3.80 2 -6 9 38.30 2.90 -3 6 -9 33.40 3.90 -3 6 -9 43.00 3.70 -3 6 -9 43.30 2.40 -3 6 -9 46.30 3.60 3 -6 9 44.70 2.80 -4 6 -9 15.00 2.40 -4 6 -9 13.40 2.80 -4 6 -9 15.70 3.20 4 -6 9 13.50 1.30 -5 6 -9 100.89 5.50 -5 6 -9 109.79 6.20 -6 6 -9 2.50 1.20 -6 6 -9 2.70 1.30 -6 6 -9 1.10 1.90 -7 6 -9 82.29 4.50 -7 6 -9 79.69 4.00 -7 6 -9 89.89 5.80 -8 6 -9 -0.50 1.50 -8 6 -9 1.70 2.40 8 -6 9 -1.90 2.30 -9 6 -9 1.60 2.40 -9 6 -9 6.80 2.80 -9 6 -9 5.80 1.50 -10 6 -9 -0.10 1.20 -10 6 -9 0.50 2.60 -11 6 -9 3.60 2.50 -12 6 -9 2.90 2.90 13 5 -9 3.70 2.70 -13 -5 9 8.00 3.90 12 5 -9 23.70 2.80 -12 -5 9 24.20 5.30 11 5 -9 5.50 1.70 11 5 -9 6.50 2.30 11 5 -9 2.90 1.40 11 5 -9 5.10 2.40 -11 -5 9 1.10 2.40 10 5 -9 5.40 1.70 10 5 -9 6.40 1.70 10 5 -9 8.50 2.00 10 5 -9 8.80 2.70 -10 -5 9 10.40 3.40 9 5 -9 13.90 3.10 9 5 -9 16.60 2.60 9 5 -9 16.10 2.60 9 5 -9 16.00 2.50 -9 -5 9 23.40 4.60 8 5 -9 89.89 5.50 8 5 -9 100.79 5.20 8 5 -9 101.59 5.40 8 5 -9 89.39 6.00 -8 -5 9 112.29 7.70 7 5 -9 28.30 3.40 7 5 -9 20.00 2.80 7 5 -9 25.00 3.60 -7 -5 9 24.50 4.20 6 5 -9 6.90 2.00 6 5 -9 7.80 2.00 6 5 -9 10.00 2.40 -6 -5 9 6.50 2.20 5 5 -9 3.60 1.70 5 5 -9 3.70 1.70 5 5 -9 0.70 1.70 5 5 -9 0.40 1.60 -5 -5 9 2.50 1.50 -5 -5 9 2.10 1.70 4 5 -9 136.99 6.80 4 5 -9 142.69 7.70 4 5 -9 152.38 7.20 4 5 -9 157.28 7.10 -4 -5 9 149.99 7.30 -4 -5 9 139.79 7.80 3 5 -9 -0.10 1.30 3 5 -9 0.50 1.20 3 5 -9 0.20 1.20 3 5 -9 -0.90 1.20 -3 -5 9 3.10 1.40 -3 -5 9 2.40 1.50 2 5 -9 102.19 5.30 2 5 -9 102.09 5.60 2 5 -9 97.89 5.40 2 5 -9 99.69 5.40 -2 -5 9 102.79 5.60 -2 -5 9 101.89 4.80 -2 -5 9 109.59 5.40 1 5 -9 372.16 14.30 1 5 -9 394.46 14.50 1 5 -9 386.06 13.80 1 5 -9 375.26 14.30 -1 -5 9 378.46 15.20 -1 -5 9 385.06 12.80 -1 -5 9 368.96 14.10 -1 -5 9 389.86 13.10 0 5 -9 1.10 1.40 0 5 -9 1.90 1.00 0 5 -9 0.60 1.10 0 -5 9 1.00 0.70 0 -5 9 0.60 1.40 0 -5 9 0.90 0.60 0 -5 9 0.30 1.00 -1 5 -9 615.54 19.90 -1 5 -9 621.84 21.90 -1 5 -9 567.54 20.70 -1 5 -9 562.04 21.00 1 -5 9 602.54 20.40 1 -5 9 615.44 21.30 -2 5 -9 97.29 5.30 -2 5 -9 109.59 7.60 -2 5 -9 106.69 5.60 -2 5 -9 97.09 4.20 2 -5 9 100.39 4.70 2 -5 9 99.89 5.90 -3 5 -9 10.20 2.40 -3 5 -9 8.40 2.30 3 -5 9 8.30 2.40 3 -5 9 9.40 1.40 -4 5 -9 75.59 2.80 -4 5 -9 73.39 4.90 -4 5 -9 74.59 4.90 4 -5 9 65.89 5.40 -5 5 -9 23.50 3.10 -5 5 -9 23.70 3.30 5 -5 9 11.30 2.70 -6 5 -9 29.60 2.30 -6 5 -9 36.90 2.80 -6 5 -9 37.20 3.80 6 -5 9 33.20 3.40 -7 5 -9 29.40 2.50 -7 5 -9 23.80 3.50 -7 5 -9 24.80 2.50 7 -5 9 19.00 3.20 -8 5 -9 167.58 6.80 -8 5 -9 154.78 8.30 -8 5 -9 150.18 9.30 8 -5 9 155.48 8.10 -9 5 -9 11.10 3.20 -9 5 -9 6.40 1.60 -10 5 -9 3.80 3.00 -10 5 -9 5.00 1.30 -11 5 -9 69.99 5.80 -12 5 -9 6.40 3.00 -13 -4 9 2.80 2.90 12 4 -9 4.90 1.60 -12 -4 9 6.30 3.10 11 4 -9 4.10 1.70 -11 -4 9 4.10 3.20 10 4 -9 26.20 3.90 10 4 -9 25.90 2.00 10 4 -9 24.60 2.70 10 4 -9 24.80 1.80 -10 -4 9 26.40 4.90 9 4 -9 19.50 2.30 9 4 -9 12.70 2.30 9 4 -9 17.80 3.40 9 4 -9 18.40 2.10 -9 -4 9 19.50 4.10 8 4 -9 63.99 4.10 8 4 -9 71.79 3.80 8 4 -9 74.19 5.20 8 4 -9 64.99 4.10 -8 -4 9 68.79 6.00 7 4 -9 449.66 15.80 7 4 -9 453.15 16.30 7 4 -9 460.45 17.30 -7 -4 9 442.06 18.50 6 4 -9 182.48 7.90 6 4 -9 179.78 8.40 6 4 -9 183.98 7.60 -6 -4 9 186.78 9.50 5 4 -9 1.90 1.30 5 4 -9 1.30 1.70 5 4 -9 1.00 1.10 4 4 -9 18.50 2.50 4 4 -9 20.30 2.80 4 4 -9 17.60 2.50 4 4 -9 20.30 3.30 -4 -4 9 24.10 3.40 3 4 -9 -0.80 1.10 3 4 -9 -0.30 1.00 3 4 -9 0.30 1.20 -3 -4 9 1.40 1.40 -3 -4 9 -0.60 1.00 2 4 -9 585.64 19.50 2 4 -9 576.24 19.70 2 4 -9 542.55 20.20 -2 -4 9 563.14 19.90 -2 -4 9 532.65 20.40 -2 -4 9 568.74 19.90 -2 -4 9 567.14 18.90 1 4 -9 152.98 7.00 1 4 -9 164.68 6.60 1 4 -9 156.08 7.30 1 4 -9 157.68 7.10 -1 -4 9 163.28 7.10 -1 -4 9 148.09 7.40 -1 -4 9 156.98 6.00 -1 -4 9 148.79 7.10 0 4 -9 361.56 12.00 0 4 -9 339.47 12.90 0 4 -9 335.97 12.70 0 4 -9 332.67 12.60 0 -4 9 333.97 13.00 0 -4 9 338.57 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8.20 3.30 -8 11 -10 3.20 2.20 -9 11 -10 -4.10 1.70 -9 11 -10 2.90 3.10 11 10 -10 0.60 2.10 11 10 -10 10.80 3.60 11 10 -10 3.50 2.90 -11 -10 10 0.00 3.60 10 10 -10 81.09 6.60 10 10 -10 68.69 5.30 10 10 -10 69.79 6.50 -10 -10 10 67.39 7.40 9 10 -10 -1.40 2.30 9 10 -10 2.90 2.40 9 10 -10 -1.40 1.70 -9 -10 10 -1.50 2.20 8 10 -10 1.30 2.20 8 10 -10 0.60 2.60 -8 -10 10 -2.10 2.00 7 10 -10 44.10 4.70 7 10 -10 52.39 6.40 7 10 -10 39.00 4.30 -7 -10 10 45.10 4.50 6 10 -10 165.08 9.10 6 10 -10 191.68 10.20 6 10 -10 173.98 9.60 5 10 -10 2.40 2.20 5 10 -10 -1.10 2.10 5 10 -10 0.60 1.50 -5 -10 10 0.40 1.50 4 10 -10 4.30 2.20 4 10 -10 3.70 1.90 4 10 -10 2.50 2.50 -4 -10 10 4.00 1.70 -4 -10 10 3.80 2.10 3 10 -10 123.49 8.00 3 10 -10 116.39 7.50 3 10 -10 124.09 7.30 -3 -10 10 128.49 5.80 -3 -10 10 127.79 6.10 2 10 -10 58.49 5.10 2 10 -10 57.19 5.20 2 10 -10 60.09 4.90 -2 -10 10 50.49 3.20 -2 -10 10 54.29 3.30 1 10 -10 2.20 1.90 1 10 -10 5.00 2.20 1 10 -10 2.00 2.40 -1 -10 10 4.50 1.00 -1 -10 10 3.70 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5.90 8 9 -10 8.30 2.30 8 9 -10 5.70 2.70 8 9 -10 7.20 2.90 -8 -9 10 9.20 3.20 7 9 -10 99.79 6.90 7 9 -10 100.09 6.30 7 9 -10 106.79 6.80 -7 -9 10 94.19 6.60 6 9 -10 2.00 2.00 6 9 -10 -2.80 1.30 6 9 -10 0.00 2.00 -6 -9 10 0.80 1.90 5 9 -10 6.60 2.80 5 9 -10 7.60 2.60 5 9 -10 6.90 2.60 -5 -9 10 7.60 2.30 4 9 -10 155.68 8.30 4 9 -10 151.28 8.30 4 9 -10 150.38 8.60 -4 -9 10 144.59 7.30 -4 -9 10 163.58 7.30 3 9 -10 35.00 4.80 3 9 -10 36.90 3.80 3 9 -10 37.90 4.20 -3 -9 10 35.10 3.10 -3 -9 10 40.50 3.10 2 9 -10 187.88 9.60 2 9 -10 186.08 8.90 2 9 -10 178.38 9.20 2 9 -10 170.38 7.80 -2 -9 10 174.18 7.50 -2 -9 10 174.18 7.10 1 9 -10 98.09 6.30 1 9 -10 102.59 6.70 1 9 -10 109.39 6.00 1 9 -10 89.49 5.00 -1 -9 10 95.99 5.00 0 9 -10 1.80 1.80 0 9 -10 2.40 1.70 0 9 -10 -0.20 1.10 0 9 -10 -0.80 1.90 0 -9 10 -0.60 1.30 -1 9 -10 2.80 1.90 -1 9 -10 2.50 1.70 -1 9 -10 1.00 2.10 -1 9 -10 1.70 1.20 -2 9 -10 38.80 3.20 -2 9 -10 38.10 4.10 -2 9 -10 42.80 4.10 -2 9 -10 36.50 3.00 2 -9 10 37.40 3.50 -3 9 -10 14.20 3.00 -3 9 -10 11.30 2.10 -3 9 -10 10.20 2.10 -3 9 -10 17.40 3.50 -4 9 -10 37.30 2.70 -4 9 -10 39.30 4.00 -4 9 -10 36.00 3.30 -4 9 -10 35.80 4.80 4 -9 10 37.00 3.00 -5 9 -10 20.60 3.40 -5 9 -10 22.10 1.90 -5 9 -10 27.50 4.30 -6 9 -10 8.40 2.30 -7 9 -10 10.80 2.40 -7 9 -10 14.90 3.40 -8 9 -10 1.30 2.80 -8 9 -10 1.40 1.50 -9 9 -10 3.00 2.80 -9 9 -10 2.40 1.70 -10 9 -10 2.80 3.00 -10 9 -10 -1.60 1.70 12 8 -10 36.50 4.80 12 8 -10 26.80 3.40 -12 -8 10 39.60 6.60 11 8 -10 -0.10 2.40 11 8 -10 1.90 1.80 11 8 -10 6.50 3.00 -11 -8 10 -2.00 2.70 10 8 -10 46.00 4.40 10 8 -10 45.20 4.00 10 8 -10 45.80 4.80 9 8 -10 2.80 1.90 9 8 -10 1.70 2.40 9 8 -10 6.20 2.60 -9 -8 10 -0.70 2.20 8 8 -10 2.90 2.40 8 8 -10 2.40 2.20 8 8 -10 0.40 1.30 -8 -8 10 3.70 2.50 7 8 -10 4.00 2.30 7 8 -10 0.60 2.00 7 8 -10 1.20 1.60 -7 -8 10 -0.60 1.90 6 8 -10 13.80 3.00 6 8 -10 20.80 3.70 6 8 -10 16.50 3.00 -6 -8 10 11.80 2.90 5 8 -10 54.99 5.00 5 8 -10 52.59 4.40 5 8 -10 57.89 4.60 -5 -8 10 53.69 4.30 4 8 -10 287.57 12.40 4 8 -10 278.67 12.60 4 8 -10 287.47 12.40 -4 -8 10 290.57 11.80 -4 -8 10 291.57 11.70 3 8 -10 68.29 4.90 3 8 -10 57.19 4.40 3 8 -10 73.89 5.30 3 8 -10 62.59 5.00 -3 -8 10 69.99 4.40 -3 -8 10 72.79 4.10 2 8 -10 42.50 3.50 2 8 -10 37.50 4.00 2 8 -10 44.20 4.20 2 8 -10 41.20 3.60 -2 -8 10 46.90 3.50 -2 -8 10 44.60 2.80 1 8 -10 2.30 1.50 1 8 -10 2.30 1.40 1 8 -10 -0.50 1.80 1 8 -10 -1.80 1.10 -1 -8 10 2.50 0.90 -1 -8 10 -0.30 1.20 0 8 -10 8.80 2.00 0 8 -10 11.70 3.00 0 8 -10 8.10 2.40 0 -8 10 7.40 2.00 -1 8 -10 21.80 3.60 -1 8 -10 25.20 4.20 -1 8 -10 23.00 2.90 -1 8 -10 18.90 2.50 1 -8 10 21.90 3.10 1 -8 10 18.60 3.00 -2 8 -10 44.60 3.10 -2 8 -10 47.50 4.30 -2 8 -10 43.70 4.20 -2 8 -10 47.90 3.50 2 -8 10 50.49 3.90 -3 8 -10 17.80 2.00 -3 8 -10 22.50 3.50 -3 8 -10 19.00 4.40 -3 8 -10 14.20 3.30 3 -8 10 22.80 2.40 -4 8 -10 0.20 1.70 -4 8 -10 3.30 2.00 -4 8 -10 1.40 1.00 -4 8 -10 6.20 2.40 4 -8 10 0.00 1.10 -5 8 -10 43.30 4.30 -5 8 -10 38.70 2.10 -5 8 -10 36.00 3.70 -6 8 -10 48.40 4.70 -6 8 -10 47.00 3.90 -7 8 -10 4.70 2.00 -7 8 -10 8.70 4.90 -8 8 -10 20.20 2.80 -8 8 -10 15.80 3.60 -9 8 -10 -1.60 1.30 -9 8 -10 -0.60 2.60 -9 8 -10 -0.80 1.50 -10 8 -10 2.20 2.90 -10 8 -10 0.90 1.50 12 7 -10 2.60 2.20 12 7 -10 1.10 1.70 -12 -7 10 -2.70 3.10 11 7 -10 9.60 2.40 11 7 -10 12.00 3.10 11 7 -10 6.30 2.70 -11 -7 10 7.30 3.40 10 7 -10 28.30 3.10 10 7 -10 33.30 4.80 10 7 -10 31.80 3.90 9 7 -10 55.59 4.20 9 7 -10 55.39 4.60 9 7 -10 51.09 4.80 -9 -7 10 49.60 5.40 8 7 -10 61.39 4.40 8 7 -10 57.49 4.60 -8 -7 10 51.39 5.20 7 7 -10 14.20 3.10 7 7 -10 10.10 2.60 7 7 -10 7.40 1.90 -7 -7 10 10.00 3.00 6 7 -10 20.90 3.10 6 7 -10 19.40 3.40 6 7 -10 26.50 4.00 -6 -7 10 19.90 3.40 5 7 -10 252.47 11.00 5 7 -10 247.08 11.10 5 7 -10 260.87 11.30 4 7 -10 1.00 1.70 4 7 -10 1.60 1.80 4 7 -10 2.00 1.90 4 7 -10 0.70 1.50 -4 -7 10 3.40 1.60 -4 -7 10 -0.60 1.40 3 7 -10 20.40 3.40 3 7 -10 23.10 3.40 3 7 -10 13.50 2.60 3 7 -10 18.90 3.30 -3 -7 10 19.30 2.70 -3 -7 10 21.20 2.80 2 7 -10 54.19 4.30 2 7 -10 50.19 3.90 2 7 -10 57.49 4.10 2 7 -10 55.59 4.40 -2 -7 10 55.69 3.30 -2 -7 10 51.29 3.80 1 7 -10 12.40 2.90 1 7 -10 7.10 2.00 1 7 -10 4.70 1.90 1 7 -10 4.40 1.70 -1 -7 10 7.10 1.90 -1 -7 10 6.20 1.10 -1 -7 10 6.80 1.30 0 7 -10 86.89 5.00 0 7 -10 94.49 5.80 0 7 -10 93.39 5.60 0 7 -10 82.69 4.80 0 -7 10 86.39 5.30 0 -7 10 91.59 5.20 -1 7 -10 369.56 14.50 -1 7 -10 395.76 14.30 -1 7 -10 393.76 15.60 -1 7 -10 413.56 15.60 1 -7 10 387.36 15.60 1 -7 10 415.86 15.20 -2 7 -10 154.08 7.90 -2 7 -10 150.38 7.50 -2 7 -10 159.68 7.30 -2 7 -10 152.58 6.40 2 -7 10 144.69 6.80 -3 7 -10 15.10 2.90 -3 7 -10 17.20 3.20 -3 7 -10 13.50 1.80 -3 7 -10 16.40 2.70 3 -7 10 12.70 2.00 -4 7 -10 0.50 2.10 -4 7 -10 1.60 2.20 -4 7 -10 1.80 0.90 -4 7 -10 0.90 1.60 4 -7 10 4.40 1.10 -5 7 -10 94.39 5.50 -5 7 -10 94.89 6.10 -6 7 -10 8.00 2.80 -6 7 -10 10.20 2.20 -7 7 -10 52.19 2.80 -7 7 -10 47.90 4.70 -8 7 -10 9.10 3.40 -8 7 -10 6.30 1.40 -8 7 -10 2.10 1.50 -9 7 -10 19.50 3.80 -9 7 -10 16.40 2.20 -10 7 -10 1.70 2.50 -10 7 -10 1.10 2.30 -11 7 -10 4.90 2.90 12 6 -10 28.40 4.80 12 6 -10 21.70 3.00 -12 -6 10 23.30 5.40 11 6 -10 -0.70 1.70 11 6 -10 2.90 1.80 11 6 -10 5.80 2.40 -11 -6 10 3.20 3.10 10 6 -10 11.60 2.30 10 6 -10 11.30 2.40 10 6 -10 6.80 2.60 10 6 -10 13.20 3.40 9 6 -10 18.90 2.90 9 6 -10 23.60 3.40 9 6 -10 16.60 3.50 9 6 -10 20.20 3.10 -9 -6 10 16.20 4.10 8 6 -10 171.48 9.10 8 6 -10 187.18 8.40 8 6 -10 187.88 8.40 8 6 -10 162.58 8.80 -8 -6 10 196.98 10.50 7 6 -10 41.70 4.00 7 6 -10 38.80 3.50 7 6 -10 35.70 3.90 -7 -6 10 39.50 4.60 6 6 -10 10.30 2.40 6 6 -10 11.50 2.40 -6 -6 10 10.30 2.90 5 6 -10 60.99 4.50 5 6 -10 57.39 4.30 5 6 -10 53.19 4.20 -5 -6 10 50.99 4.40 -5 -6 10 54.19 5.00 4 6 -10 313.67 13.70 4 6 -10 332.07 13.10 4 6 -10 331.87 13.10 4 6 -10 313.97 13.00 -4 -6 10 336.87 13.80 -4 -6 10 329.27 13.20 3 6 -10 75.69 4.80 3 6 -10 73.59 4.70 3 6 -10 69.39 4.90 3 6 -10 65.99 4.60 -3 -6 10 75.39 4.40 -3 -6 10 80.99 4.90 2 6 -10 22.80 3.00 2 6 -10 22.10 3.30 2 6 -10 20.30 3.10 2 6 -10 26.70 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3.80 -3 -10 11 21.90 2.80 -3 -10 11 23.90 2.70 2 10 -11 30.30 4.60 2 10 -11 34.40 4.50 2 10 -11 29.00 4.30 -2 -10 11 31.20 2.90 -2 -10 11 30.10 2.30 1 10 -11 3.30 2.70 1 10 -11 5.20 1.60 1 10 -11 9.30 2.40 1 10 -11 4.70 2.30 -1 -10 11 6.60 1.60 0 10 -11 1.70 1.30 0 10 -11 2.00 1.90 0 10 -11 1.60 1.70 0 10 -11 2.80 2.50 -1 10 -11 62.29 4.30 -1 10 -11 59.09 5.10 -1 10 -11 52.89 3.60 -1 10 -11 60.09 5.40 -2 10 -11 -0.80 1.80 -2 10 -11 -0.40 1.40 -2 10 -11 -2.30 1.80 -2 10 -11 3.90 1.90 -3 10 -11 19.50 2.80 -3 10 -11 23.30 2.50 -3 10 -11 30.70 4.40 3 -10 11 24.70 3.50 -4 10 -11 2.00 2.60 -4 10 -11 8.30 2.60 -4 10 -11 3.70 1.40 -4 10 -11 3.60 1.80 -5 10 -11 1.90 2.00 -5 10 -11 2.80 1.20 -5 10 -11 5.00 2.90 -6 10 -11 11.90 3.30 -6 10 -11 10.00 2.90 -7 10 -11 4.80 3.10 -8 10 -11 45.20 4.20 -8 10 -11 53.69 5.60 -9 10 -11 15.40 3.70 -9 10 -11 17.70 2.70 11 9 -11 11.90 3.50 11 9 -11 15.80 3.00 -11 -9 11 23.70 5.30 10 9 -11 17.80 3.60 10 9 -11 13.80 3.50 10 9 -11 10.80 2.40 -10 -9 11 14.90 3.70 9 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3.50 -5 -8 11 28.30 3.80 4 8 -11 1.10 1.90 4 8 -11 2.50 2.50 4 8 -11 2.40 2.10 4 8 -11 0.70 1.90 -4 -8 11 -0.90 1.70 -4 -8 11 0.80 1.60 3 8 -11 42.00 3.80 3 8 -11 34.10 3.90 3 8 -11 39.60 3.90 3 8 -11 33.50 3.60 -3 -8 11 39.90 3.70 -3 -8 11 38.10 3.10 2 8 -11 139.89 7.10 2 8 -11 134.09 7.40 2 8 -11 143.39 7.90 2 8 -11 127.59 7.00 -2 -8 11 136.79 6.70 -2 -8 11 120.99 5.60 1 8 -11 8.50 2.20 1 8 -11 6.30 2.40 1 8 -11 10.20 2.40 1 8 -11 8.20 2.40 -1 -8 11 8.50 1.10 -1 -8 11 10.00 2.40 -1 -8 11 9.80 1.10 0 8 -11 112.89 7.00 0 8 -11 125.29 6.90 0 8 -11 109.19 5.90 0 8 -11 104.49 5.90 0 -8 11 123.39 6.40 -1 8 -11 16.10 2.50 -1 8 -11 16.10 2.70 -1 8 -11 20.10 3.40 -1 8 -11 18.10 3.50 1 -8 11 23.10 3.40 1 -8 11 13.80 2.60 -2 8 -11 3.80 1.90 -2 8 -11 -1.90 1.90 -2 8 -11 1.10 1.20 -2 8 -11 0.50 1.50 -3 8 -11 10.10 2.90 -3 8 -11 4.50 1.90 -3 8 -11 3.80 1.80 -3 8 -11 2.70 1.30 3 -8 11 4.30 1.70 -4 8 -11 231.18 10.40 -4 8 -11 236.38 10.90 -4 8 -11 224.98 8.20 4 -8 11 224.28 8.60 -5 8 -11 23.90 3.40 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3.60 2 7 -11 88.69 5.20 2 7 -11 82.29 5.30 2 7 -11 84.69 5.60 2 7 -11 83.99 5.40 -2 -7 11 83.19 4.30 -2 -7 11 84.89 5.20 -2 -7 11 87.09 4.10 1 7 -11 142.19 6.80 1 7 -11 155.68 7.70 1 7 -11 141.59 7.70 -1 -7 11 132.39 5.40 -1 -7 11 137.19 6.10 -1 -7 11 146.29 7.10 0 7 -11 11.50 2.50 0 7 -11 14.10 3.10 0 7 -11 10.10 2.20 0 -7 11 11.00 2.30 0 -7 11 12.30 2.60 -1 7 -11 0.00 1.60 -1 7 -11 3.40 1.70 -1 7 -11 3.40 1.40 -1 7 -11 2.90 2.10 1 -7 11 2.60 1.80 1 -7 11 4.80 1.90 -2 7 -11 9.10 2.30 -2 7 -11 9.10 1.60 -2 7 -11 7.50 2.20 -2 7 -11 10.70 2.60 2 -7 11 6.90 1.90 2 -7 11 4.40 2.20 -3 7 -11 5.90 2.30 -3 7 -11 5.30 2.00 -3 7 -11 7.50 1.40 3 -7 11 8.40 1.60 -4 7 -11 -1.00 1.70 -4 7 -11 -1.30 1.30 4 -7 11 -0.10 1.00 -5 7 -11 10.90 2.80 -5 7 -11 10.30 2.50 -6 7 -11 13.90 2.50 -6 7 -11 12.10 3.20 -7 7 -11 36.40 3.50 -7 7 -11 41.10 4.30 -8 7 -11 16.70 2.80 -8 7 -11 33.60 4.70 -9 7 -11 4.90 3.10 -9 7 -11 2.30 1.70 -10 7 -11 18.20 2.60 -10 7 -11 29.60 4.60 12 6 -11 6.30 2.00 -12 -6 11 -0.10 3.20 11 6 -11 10.30 2.50 11 6 -11 9.60 3.30 11 6 -11 8.60 2.00 -11 -6 11 11.20 3.70 10 6 -11 38.30 3.20 10 6 -11 37.00 3.60 10 6 -11 45.50 4.50 -10 -6 11 38.90 6.10 9 6 -11 1.60 1.90 9 6 -11 0.80 1.70 9 6 -11 0.60 1.60 9 6 -11 2.40 2.50 -9 -6 11 6.70 2.80 8 6 -11 72.19 4.80 8 6 -11 69.69 6.00 -8 -6 11 82.79 6.70 7 6 -11 36.00 3.70 7 6 -11 39.50 3.50 7 6 -11 40.80 3.70 -7 -6 11 35.30 4.90 6 6 -11 1.90 1.60 6 6 -11 2.20 2.00 6 6 -11 1.90 1.70 -6 -6 11 2.60 2.00 5 6 -11 -0.10 1.60 5 6 -11 -1.40 1.70 5 6 -11 -1.00 1.60 -5 -6 11 0.80 1.80 4 6 -11 118.79 6.50 4 6 -11 116.59 6.40 4 6 -11 116.29 6.50 -4 -6 11 113.49 6.30 -4 -6 11 126.19 6.90 3 6 -11 83.39 5.70 3 6 -11 86.09 5.50 3 6 -11 89.69 5.30 3 6 -11 90.49 5.50 -3 -6 11 90.29 5.00 -3 -6 11 89.59 5.50 2 6 -11 4.60 2.00 2 6 -11 4.70 1.90 2 6 -11 6.40 2.10 2 6 -11 6.10 2.40 -2 -6 11 3.00 1.20 -2 -6 11 -1.00 1.60 -2 -6 11 2.40 1.20 1 6 -11 44.70 3.80 1 6 -11 32.70 3.60 1 6 -11 39.00 3.50 -1 -6 11 35.90 3.50 -1 -6 11 40.40 2.30 -1 -6 11 38.80 2.40 -1 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3.30 2.30 4 7 -12 5.30 2.20 4 7 -12 3.10 2.00 -4 -7 12 5.20 2.00 -4 -7 12 4.60 2.00 3 7 -12 17.10 3.20 3 7 -12 17.30 3.10 3 7 -12 19.20 3.00 -3 -7 12 18.90 2.60 -3 -7 12 20.50 4.00 -3 -7 12 21.50 2.80 2 7 -12 2.10 1.70 2 7 -12 5.30 2.00 2 7 -12 4.50 1.80 2 7 -12 5.10 2.20 -2 -7 12 3.00 2.10 -2 -7 12 3.80 1.40 -2 -7 12 5.20 1.50 1 7 -12 102.49 6.20 1 7 -12 98.99 6.10 1 7 -12 101.59 6.40 1 7 -12 118.59 5.90 -1 -7 12 102.19 4.20 -1 -7 12 116.29 6.40 0 7 -12 142.39 7.60 0 7 -12 133.49 7.30 0 7 -12 150.58 7.90 0 7 -12 155.78 7.50 0 -7 12 145.49 7.70 -1 7 -12 48.20 4.40 -1 7 -12 33.10 3.60 -1 7 -12 37.90 3.70 -1 7 -12 44.60 3.10 1 -7 12 35.10 3.40 1 -7 12 39.10 4.20 -2 7 -12 52.39 3.10 -2 7 -12 44.90 4.40 -2 7 -12 45.60 3.90 2 -7 12 44.30 4.50 2 -7 12 38.60 3.20 -3 7 -12 5.40 2.30 -3 7 -12 0.90 1.60 3 -7 12 2.00 1.50 -4 7 -12 3.00 2.30 -4 7 -12 1.90 1.80 -5 7 -12 34.30 3.40 -5 7 -12 23.00 4.50 -6 7 -12 17.10 2.70 -6 7 -12 23.90 4.40 -7 7 -12 1.20 1.70 -7 7 -12 0.00 2.60 -8 7 -12 23.00 4.30 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2.70 -5 -10 14 9.90 3.20 4 10 -14 59.09 5.20 4 10 -14 62.49 5.60 4 10 -14 74.59 5.80 -4 -10 14 67.69 4.30 -4 -10 14 55.79 5.00 -4 -10 14 70.39 5.40 3 10 -14 5.10 2.60 3 10 -14 3.20 2.60 3 10 -14 2.30 2.00 -3 -10 14 3.00 1.40 -3 -10 14 0.70 2.30 -3 -10 14 -2.00 2.00 2 10 -14 2.50 2.40 2 10 -14 4.20 2.30 2 10 -14 -0.10 2.20 1 10 -14 66.09 5.70 1 10 -14 62.69 4.80 1 10 -14 53.79 5.00 1 10 -14 56.59 5.20 -1 -10 14 67.99 5.40 0 10 -14 81.59 7.60 0 10 -14 65.09 6.00 0 10 -14 73.59 6.00 0 10 -14 75.99 5.00 0 -10 14 85.49 7.00 -1 10 -14 8.80 2.80 -1 10 -14 11.40 2.40 -1 10 -14 11.50 3.50 -2 10 -14 15.30 3.80 -2 10 -14 18.20 3.50 -2 10 -14 23.70 2.80 -3 10 -14 -0.50 1.20 -3 10 -14 6.70 2.70 -3 10 -14 2.80 2.60 -4 10 -14 19.10 3.70 -4 10 -14 18.60 3.90 -5 10 -14 1.00 2.30 -5 10 -14 5.40 3.40 -6 10 -14 -2.20 2.50 -6 10 -14 5.80 2.30 -7 10 -14 33.90 5.10 -7 10 -14 27.40 4.00 9 9 -14 19.20 3.70 9 9 -14 23.00 4.50 9 9 -14 22.50 4.00 -9 -9 14 19.10 4.50 8 9 -14 2.40 2.70 8 9 -14 0.00 2.30 8 9 -14 8.00 2.30 -8 -9 14 4.50 3.00 7 9 -14 2.80 2.20 7 9 -14 2.40 2.30 7 9 -14 -1.30 2.30 -7 -9 14 3.80 2.80 6 9 -14 112.69 7.20 6 9 -14 103.39 7.00 6 9 -14 112.09 7.10 -6 -9 14 112.09 7.20 5 9 -14 107.19 7.00 5 9 -14 109.49 7.00 5 9 -14 108.19 7.00 -5 -9 14 107.09 7.00 4 9 -14 18.20 3.60 4 9 -14 14.30 3.20 -4 -9 14 14.40 3.30 -4 -9 14 20.90 3.70 -4 -9 14 20.10 2.90 3 9 -14 0.60 1.80 3 9 -14 -2.60 2.30 3 9 -14 1.60 2.00 -3 -9 14 -1.50 1.20 -3 -9 14 0.70 1.80 -3 -9 14 2.60 2.10 2 9 -14 -0.40 1.40 2 9 -14 4.10 1.90 2 9 -14 2.80 2.50 -2 -9 14 0.20 1.20 -2 -9 14 1.30 2.30 1 9 -14 56.59 4.40 1 9 -14 54.69 4.90 -1 -9 14 61.79 5.30 0 9 -14 6.90 2.70 0 9 -14 6.20 2.00 0 9 -14 4.30 2.50 0 -9 14 4.40 2.60 -1 9 -14 7.60 2.00 -1 9 -14 5.10 2.30 -1 9 -14 3.90 2.60 1 -9 14 3.60 2.60 -2 9 -14 -2.30 1.90 -2 9 -14 -0.40 2.20 -2 9 -14 2.90 2.00 -3 9 -14 6.80 3.10 -3 9 -14 6.30 2.60 -4 9 -14 3.50 2.80 -4 9 -14 4.10 2.60 4 -9 14 -0.10 2.20 -5 9 -14 16.80 3.10 -5 9 -14 18.90 3.90 -6 9 -14 41.40 4.50 -6 9 -14 49.20 5.40 -7 9 -14 1.80 2.60 -7 9 -14 5.10 2.40 -8 9 -14 -3.40 3.30 -8 9 -14 6.60 2.60 10 8 -14 5.40 2.30 10 8 -14 -1.90 2.50 -10 -8 14 5.10 3.40 9 8 -14 17.80 3.60 9 8 -14 17.10 3.80 9 8 -14 15.70 3.20 -9 -8 14 14.80 4.20 8 8 -14 -1.10 2.10 8 8 -14 0.80 1.80 8 8 -14 4.10 2.40 -8 -8 14 0.40 2.80 7 8 -14 10.80 3.30 7 8 -14 11.60 3.00 7 8 -14 12.70 2.90 -7 -8 14 14.40 3.60 6 8 -14 18.00 3.40 6 8 -14 22.30 3.90 6 8 -14 14.40 3.50 -6 -8 14 20.50 3.90 5 8 -14 6.90 2.50 5 8 -14 12.40 3.10 5 8 -14 9.60 2.70 -5 -8 14 12.80 3.40 4 8 -14 18.90 3.90 4 8 -14 24.40 3.90 4 8 -14 19.00 3.40 -4 -8 14 17.10 3.50 -4 -8 14 16.10 2.50 -4 -8 14 17.20 3.30 3 8 -14 -3.60 1.80 3 8 -14 -0.40 1.90 3 8 -14 0.70 1.80 -3 -8 14 2.20 1.90 -3 -8 14 -1.40 1.30 -3 -8 14 0.60 2.10 2 8 -14 4.00 1.80 2 8 -14 0.50 1.90 -2 -8 14 3.70 1.50 -2 -8 14 4.50 1.30 -2 -8 14 6.20 2.60 1 8 -14 86.49 5.40 1 8 -14 105.59 6.60 -1 -8 14 91.59 6.40 0 8 -14 11.60 3.20 0 8 -14 16.60 3.30 0 8 -14 14.80 2.40 0 -8 14 10.30 3.20 -1 8 -14 42.70 4.30 -1 8 -14 48.40 3.50 1 -8 14 47.00 5.10 -2 8 -14 32.20 4.90 -2 8 -14 29.60 4.50 2 -8 14 29.40 3.80 -3 8 -14 53.29 5.10 -3 8 -14 49.30 4.90 3 -8 14 41.10 3.70 -4 8 -14 20.60 3.90 -4 8 -14 16.90 4.70 4 -8 14 14.70 3.30 -5 8 -14 14.60 3.50 -6 8 -14 4.80 3.10 -7 8 -14 9.30 4.20 -7 8 -14 8.90 3.10 -8 8 -14 15.30 4.20 -8 8 -14 18.70 3.80 10 7 -14 5.20 2.60 10 7 -14 2.90 2.10 -10 -7 14 15.60 4.40 9 7 -14 2.70 2.20 9 7 -14 0.60 2.10 9 7 -14 -0.50 2.00 -9 -7 14 5.50 3.10 8 7 -14 -2.60 1.80 8 7 -14 -1.00 2.20 8 7 -14 1.40 2.00 7 7 -14 116.59 7.30 7 7 -14 114.89 6.90 7 7 -14 106.89 6.20 -7 -7 14 94.09 7.30 6 7 -14 69.79 5.40 6 7 -14 76.39 5.60 6 7 -14 66.79 4.90 -6 -7 14 60.29 5.70 5 7 -14 83.79 5.70 5 7 -14 94.59 5.90 -5 -7 14 80.99 6.30 -5 -7 14 97.09 5.70 4 7 -14 27.00 3.90 4 7 -14 21.90 3.80 4 7 -14 26.40 3.80 -4 -7 14 26.00 3.70 -4 -7 14 23.00 3.50 -4 -7 14 27.90 4.30 3 7 -14 0.40 1.50 3 7 -14 -0.60 1.80 3 7 -14 0.50 2.00 -3 -7 14 2.40 1.90 -3 -7 14 -0.30 1.30 -3 -7 14 -2.30 1.90 2 7 -14 164.78 8.70 2 7 -14 174.18 8.10 2 7 -14 177.38 8.80 -2 -7 14 172.28 9.10 -2 -7 14 170.48 7.30 -2 -7 14 165.68 6.80 1 7 -14 -0.60 2.10 1 7 -14 1.10 1.80 1 7 -14 5.50 1.80 -1 -7 14 1.20 1.00 -1 -7 14 0.20 2.20 0 7 -14 18.20 3.20 0 7 -14 24.70 3.80 0 -7 14 27.60 4.50 -1 7 -14 -0.50 1.80 -1 7 -14 4.40 2.10 1 -7 14 -0.30 2.20 -2 7 -14 1.90 3.90 -2 7 -14 4.10 2.20 2 -7 14 2.60 3.00 2 -7 14 2.40 2.50 -3 7 -14 56.69 5.00 -3 7 -14 55.49 4.40 3 -7 14 49.70 3.70 -4 7 -14 24.30 3.70 -4 7 -14 29.50 4.30 -5 7 -14 0.30 1.80 -5 7 -14 3.40 2.70 -6 7 -14 1.20 1.90 -6 7 -14 0.20 2.80 -7 7 -14 4.50 3.20 -7 7 -14 5.10 2.10 -8 7 -14 5.60 2.50 -8 7 -14 7.00 3.40 -9 7 -14 13.70 4.50 -9 7 -14 10.10 2.50 11 6 -14 5.00 2.50 -11 -6 14 2.60 3.80 10 6 -14 1.00 2.00 -10 -6 14 4.40 3.10 9 6 -14 7.70 2.10 9 6 -14 8.00 2.20 -9 -6 14 18.80 4.10 8 6 -14 71.19 5.20 8 6 -14 64.49 4.40 7 6 -14 5.10 2.20 -7 -6 14 6.20 2.50 6 6 -14 31.10 4.00 6 6 -14 30.40 4.30 6 6 -14 33.80 5.00 -6 -6 14 39.30 5.30 -6 -6 14 36.00 3.90 5 6 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-5 14 19.60 4.50 9 5 -14 24.80 3.70 9 5 -14 22.10 2.40 -9 -5 14 40.60 6.40 8 5 -14 2.00 1.60 -8 -5 14 0.40 2.50 7 5 -14 2.40 1.70 7 5 -14 -2.50 1.50 -7 -5 14 0.90 2.30 6 5 -14 1.40 1.70 6 5 -14 0.80 1.70 -6 -5 14 4.80 2.60 -6 -5 14 0.20 1.90 5 5 -14 7.00 2.10 5 5 -14 4.40 2.00 -5 -5 14 7.80 2.80 -5 -5 14 7.50 2.30 4 5 -14 87.29 5.60 4 5 -14 84.59 5.20 -4 -5 14 86.99 5.30 -4 -5 14 86.09 6.40 3 5 -14 47.20 4.10 3 5 -14 52.09 4.30 -3 -5 14 56.69 5.00 -3 -5 14 47.90 3.70 2 5 -14 16.40 3.10 2 5 -14 20.00 3.40 -2 -5 14 20.80 3.90 -2 -5 14 21.20 2.70 1 5 -14 0.00 1.70 1 5 -14 -1.40 1.70 -1 -5 14 0.30 1.30 -1 -5 14 0.30 2.40 0 5 -14 7.10 2.70 0 5 -14 4.90 2.20 0 -5 14 7.50 1.60 0 -5 14 5.20 2.90 -1 5 -14 3.50 2.10 -1 5 -14 1.80 2.20 1 -5 14 4.00 2.90 1 -5 14 6.00 1.40 1 -5 14 4.30 2.00 -2 5 -14 101.39 6.40 -2 5 -14 92.49 5.80 2 -5 14 84.19 4.90 2 -5 14 84.59 6.80 -3 5 -14 2.60 1.80 -3 5 -14 -0.80 1.90 3 -5 14 -0.70 1.50 3 -5 14 2.00 2.50 -4 5 -14 40.10 3.90 -4 5 -14 36.10 5.00 -5 5 -14 8.00 2.80 -5 5 -14 2.80 2.10 -6 5 -14 32.20 4.90 -6 5 -14 21.60 3.30 -7 5 -14 1.80 2.50 -7 5 -14 3.70 1.90 -8 5 -14 1.70 2.10 -8 5 -14 -1.00 2.40 -9 5 -14 10.30 2.60 -9 5 -14 17.50 4.10 11 4 -14 5.70 2.20 -11 -4 14 2.00 3.10 10 4 -14 1.80 2.00 -10 -4 14 5.70 3.40 9 4 -14 -1.80 1.20 -9 -4 14 3.50 2.60 8 4 -14 34.90 3.80 8 4 -14 43.10 3.10 -8 -4 14 42.50 4.50 -8 -4 14 42.60 6.10 7 4 -14 9.50 2.60 7 4 -14 12.10 2.60 -7 -4 14 13.70 3.60 -7 -4 14 13.00 3.10 6 4 -14 17.80 3.20 6 4 -14 13.70 2.50 -6 -4 14 21.50 3.50 -6 -4 14 16.90 3.60 5 4 -14 -0.80 1.40 5 4 -14 0.90 1.60 -5 -4 14 1.90 1.70 -5 -4 14 1.10 1.90 4 4 -14 9.80 2.50 4 4 -14 13.50 2.60 -4 -4 14 13.50 3.40 -4 -4 14 14.50 2.80 3 4 -14 32.80 4.00 3 4 -14 29.60 3.70 -3 -4 14 23.60 4.10 2 4 -14 -2.60 1.50 2 4 -14 -0.20 1.70 -2 -4 14 1.80 2.30 -2 -4 14 0.40 1.60 1 4 -14 1.60 1.80 1 4 -14 -0.20 1.60 -1 -4 14 0.10 1.30 -1 -4 14 -1.10 2.10 0 4 -14 0.20 1.60 0 4 -14 1.80 2.20 0 -4 14 3.00 1.60 0 -4 14 0.20 2.20 -1 4 -14 42.70 3.90 -1 4 -14 40.50 4.00 1 -4 14 52.99 5.50 1 -4 14 46.40 3.30 1 -4 14 46.40 3.70 -2 4 -14 17.60 3.50 -2 4 -14 19.20 3.20 2 -4 14 21.30 2.70 2 -4 14 19.40 4.10 2 -4 14 19.90 2.50 -3 4 -14 14.50 3.00 -3 4 -14 17.80 3.90 3 -4 14 16.70 2.20 3 -4 14 17.40 4.00 3 -4 14 21.60 2.50 -4 4 -14 1.80 1.20 -4 4 -14 1.80 1.90 4 -4 14 4.80 1.70 -5 4 -14 11.10 2.50 -5 4 -14 8.60 1.80 -5 4 -14 14.70 3.40 -6 4 -14 11.50 2.40 -6 4 -14 8.50 3.30 -7 4 -14 41.10 5.70 -7 4 -14 40.70 4.00 -8 4 -14 6.80 3.20 -8 4 -14 4.80 2.20 -9 4 -14 2.10 2.10 -9 4 -14 5.70 3.10 11 3 -14 38.30 4.10 -11 -3 14 42.20 7.10 10 3 -14 16.00 3.60 -10 -3 14 15.00 4.10 -10 -3 14 13.80 4.10 9 3 -14 17.20 2.00 9 3 -14 17.40 3.70 -9 -3 14 20.50 4.10 -9 -3 14 20.90 4.70 8 3 -14 2.30 2.00 8 3 -14 3.90 1.50 -8 -3 14 2.20 2.80 -8 -3 14 0.70 2.70 7 3 -14 38.80 3.90 7 3 -14 34.30 2.90 -7 -3 14 31.10 4.30 -7 -3 14 32.00 5.30 6 3 -14 -1.60 1.30 6 3 -14 -1.90 1.60 -6 -3 14 -1.80 1.80 -6 -3 14 3.10 2.30 5 3 -14 18.00 3.00 5 3 -14 17.50 2.70 -5 -3 14 22.90 3.50 -5 -3 14 19.40 4.00 4 3 -14 48.80 3.80 4 3 -14 50.29 4.40 -4 -3 14 42.70 4.60 -4 -3 14 43.40 3.80 3 3 -14 -0.70 1.60 3 3 -14 1.90 1.70 -3 -3 14 1.50 1.60 -3 -3 14 2.40 2.40 2 3 -14 15.50 3.20 2 3 -14 16.90 2.90 -2 -3 14 15.10 2.70 -2 -3 14 15.60 3.70 1 3 -14 2.90 1.90 1 3 -14 2.70 1.90 -1 -3 14 6.30 2.70 -1 -3 14 2.50 1.80 0 3 -14 54.79 4.40 0 3 -14 59.79 4.60 0 -3 14 56.59 3.90 0 -3 14 59.19 5.60 -1 3 -14 1.30 1.60 -1 3 -14 -1.00 1.90 1 -3 14 -0.10 1.50 1 -3 14 1.30 1.70 1 -3 14 4.00 2.60 -2 3 -14 -0.90 1.80 -2 3 -14 1.20 1.90 2 -3 14 0.50 1.50 2 -3 14 0.20 1.50 2 -3 14 -1.70 2.10 -3 3 -14 16.90 2.30 -3 3 -14 11.40 3.10 -3 3 -14 15.10 3.00 3 -3 14 15.20 2.10 3 -3 14 13.30 3.90 3 -3 14 22.30 3.00 -4 3 -14 246.78 12.00 -4 3 -14 252.87 15.50 -4 3 -14 248.68 11.10 4 -3 14 248.98 10.50 4 -3 14 277.67 14.10 4 -3 14 252.27 9.70 -5 3 -14 51.49 4.40 -5 3 -14 57.79 5.10 -5 3 -14 42.80 3.50 5 -3 14 53.69 4.10 -6 3 -14 13.00 3.30 -6 3 -14 13.80 2.70 6 -3 14 9.70 2.70 -7 3 -14 7.70 2.70 -7 3 -14 7.30 3.70 -8 3 -14 0.90 2.00 -8 3 -14 6.10 3.10 -9 3 -14 6.00 3.20 -9 3 -14 6.70 2.30 11 2 -14 7.10 2.60 -11 -2 14 9.80 3.60 -11 -2 14 7.10 3.70 10 2 -14 15.00 5.10 -10 -2 14 16.10 4.60 -10 -2 14 14.20 3.90 9 2 -14 25.20 3.90 -9 -2 14 23.20 4.70 -9 -2 14 35.90 5.30 8 2 -14 4.50 2.20 8 2 -14 2.30 1.40 -8 -2 14 0.30 2.70 7 2 -14 50.49 3.30 7 2 -14 49.90 4.30 -7 -2 14 39.60 4.40 6 2 -14 9.80 2.10 6 2 -14 8.50 2.30 -6 -2 14 8.90 3.10 -6 -2 14 9.40 3.00 5 2 -14 77.49 4.70 5 2 -14 76.89 5.20 -5 -2 14 71.69 6.20 -5 -2 14 83.99 5.50 4 2 -14 212.08 9.80 4 2 -14 213.38 9.10 -4 -2 14 202.38 9.60 -4 -2 14 211.68 11.00 3 2 -14 78.99 5.30 3 2 -14 86.29 5.20 -3 -2 14 82.09 6.40 -3 -2 14 84.39 5.30 2 2 -14 3.00 2.00 2 2 -14 2.40 2.10 -2 -2 14 5.90 2.30 -2 -2 14 2.70 2.80 1 2 -14 5.40 2.10 1 2 -14 9.60 2.30 -1 -2 14 6.90 3.00 -1 -2 14 6.50 2.50 0 2 -14 1.00 1.80 0 2 -14 1.40 2.00 0 -2 14 1.30 1.80 0 -2 14 2.70 2.70 -1 2 -14 461.95 17.50 -1 2 -14 435.26 17.20 1 -2 14 449.36 16.60 1 -2 14 442.06 16.30 1 -2 14 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15.00 3.80 -2 -1 20 3.40 4.20 -2 -1 20 3.90 3.20 1 1 -20 14.90 5.60 1 1 -20 15.70 4.20 -1 -1 20 4.30 4.10 -1 -1 20 6.90 3.80 0 1 -20 4.50 3.00 0 1 -20 10.50 5.90 0 -1 20 10.10 4.60 0 -1 20 7.80 4.50 -1 1 -20 4.90 3.60 1 -1 20 2.60 3.60 4 0 -20 2.00 3.50 4 0 -20 3.10 3.10 -4 0 20 -3.70 3.40 3 0 -20 10.00 3.40 3 0 -20 -1.80 2.70 -3 0 20 4.30 3.30 2 0 -20 2.90 3.20 2 0 -20 -5.40 4.00 -2 0 20 5.80 3.30 1 0 -20 1.70 4.80 1 0 -20 7.00 3.50 -1 0 20 5.50 3.50 0 0 -20 7.60 3.70 0 0 20 7.80 3.60 2 -1 -20 -4.60 3.10 2 -1 -20 3.50 3.80 -2 1 20 10.70 4.40 -2 1 20 4.90 3.80 1 -1 -20 0.30 2.70 1 -1 -20 -1.00 3.20 -1 1 20 15.00 4.00 -1 1 20 4.10 4.10 0 0 0 0.00 0.00 _computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)' ; _shelx_hkl_checksum 79585 _shelx_fab_file ; 2 0 0 1.03 0.00 3 0 0 0.71 0.00 4 0 0 -5.68 0.00 5 0 0 -1.16 0.00 6 0 0 1.78 0.00 7 0 0 -1.24 0.00 8 0 0 0.32 0.00 9 0 0 2.37 0.00 10 0 0 -0.28 0.00 11 0 0 0.80 0.00 12 0 0 -0.39 0.00 13 0 0 -0.26 0.00 14 0 0 0.79 0.00 -14 1 0 0.92 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-0.35 0.00 2 -1 18 -0.17 0.00 3 -1 18 -0.25 0.00 4 -1 18 0.14 0.00 5 -1 18 -0.77 0.00 -8 0 18 0.26 0.00 -7 0 18 0.40 0.00 -6 0 18 0.43 0.00 -5 0 18 -0.29 0.00 -4 0 18 -0.48 0.00 -3 0 18 0.08 0.00 -2 0 18 0.23 0.00 -1 0 18 0.45 0.00 0 0 18 0.24 0.00 1 0 18 -0.63 0.00 2 0 18 -0.23 0.00 3 0 18 -1.19 0.00 4 0 18 -0.44 0.00 5 0 18 -1.28 0.00 -7 1 18 0.21 0.00 -6 1 18 0.36 0.00 -5 1 18 -0.30 0.00 -4 1 18 -0.59 0.00 -3 1 18 0.30 0.00 -2 1 18 -0.22 0.00 -1 1 18 0.39 0.00 0 1 18 0.17 0.00 1 1 18 -0.79 0.00 2 1 18 -0.21 0.00 3 1 18 -1.23 0.00 4 1 18 -1.00 0.00 5 1 18 -1.12 0.00 -7 2 18 -0.18 0.00 -6 2 18 0.19 0.00 -5 2 18 -0.62 0.00 -4 2 18 -0.53 0.00 -3 2 18 0.24 0.00 -2 2 18 -0.42 0.00 -1 2 18 0.12 0.00 0 2 18 0.41 0.00 1 2 18 -0.66 0.00 2 2 18 -0.11 0.00 3 2 18 -0.76 0.00 4 2 18 -1.14 0.00 -6 3 18 0.13 0.00 -5 3 18 -0.54 0.00 -4 3 18 -0.17 0.00 -3 3 18 0.46 0.00 -2 3 18 -0.23 0.00 -1 3 18 -0.13 0.00 0 3 18 0.83 0.00 1 3 18 -0.15 0.00 2 3 18 0.18 0.00 3 3 18 -0.27 0.00 -5 4 18 -0.47 0.00 -4 4 18 -0.28 0.00 -3 4 18 0.52 0.00 -2 4 18 -0.18 0.00 -1 4 18 -0.21 0.00 0 4 18 0.80 0.00 1 4 18 0.54 0.00 2 4 18 0.32 0.00 -4 5 18 -0.26 0.00 -3 5 18 0.52 0.00 -2 5 18 -0.15 0.00 -1 5 18 0.00 0.00 0 5 18 0.28 0.00 1 5 18 1.01 0.00 -3 -9 19 -0.24 0.00 -2 -9 19 0.29 0.00 -1 -9 19 0.14 0.00 0 -9 19 -0.63 0.00 -4 -8 19 -0.18 0.00 -3 -8 19 -0.29 0.00 -2 -8 19 0.31 0.00 -1 -8 19 0.41 0.00 0 -8 19 -0.46 0.00 1 -8 19 0.07 0.00 2 -8 19 -0.41 0.00 -5 -7 19 -0.35 0.00 -4 -7 19 -0.12 0.00 -3 -7 19 -0.51 0.00 -2 -7 19 0.03 0.00 -1 -7 19 0.68 0.00 0 -7 19 -0.05 0.00 1 -7 19 -0.20 0.00 2 -7 19 -0.12 0.00 3 -7 19 -0.43 0.00 -6 -6 19 0.11 0.00 -5 -6 19 -0.24 0.00 -4 -6 19 0.08 0.00 -3 -6 19 -0.50 0.00 -2 -6 19 -0.16 0.00 -1 -6 19 0.78 0.00 0 -6 19 0.44 0.00 1 -6 19 -0.29 0.00 2 -6 19 0.32 0.00 3 -6 19 -0.19 0.00 -6 -5 19 0.14 0.00 -5 -5 19 -0.10 0.00 -4 -5 19 0.09 0.00 -3 -5 19 -0.46 0.00 -2 -5 19 -0.14 0.00 -1 -5 19 0.46 0.00 0 -5 19 0.60 0.00 1 -5 19 -0.23 0.00 2 -5 19 0.60 0.00 3 -5 19 0.24 0.00 4 -5 19 -0.28 0.00 -7 -4 19 0.52 0.00 -6 -4 19 0.15 0.00 -5 -4 19 0.03 0.00 -4 -4 19 0.14 0.00 -3 -4 19 -0.23 0.00 -2 -4 19 0.48 0.00 -1 -4 19 0.24 0.00 0 -4 19 0.44 0.00 1 -4 19 -0.05 0.00 2 -4 19 0.66 0.00 3 -4 19 0.89 0.00 4 -4 19 -0.09 0.00 -7 -3 19 0.66 0.00 -6 -3 19 0.27 0.00 -5 -3 19 -0.10 0.00 -4 -3 19 0.04 0.00 -3 -3 19 -0.34 0.00 -2 -3 19 0.99 0.00 -1 -3 19 0.18 0.00 0 -3 19 0.17 0.00 1 -3 19 0.06 0.00 2 -3 19 0.39 0.00 3 -3 19 1.10 0.00 4 -3 19 0.08 0.00 -7 -2 19 0.43 0.00 -6 -2 19 0.45 0.00 -5 -2 19 -0.12 0.00 -4 -2 19 0.10 0.00 -3 -2 19 -0.22 0.00 -2 -2 19 1.26 0.00 -1 -2 19 0.41 0.00 0 -2 19 0.13 0.00 1 -2 19 0.09 0.00 2 -2 19 0.16 0.00 3 -2 19 0.71 0.00 4 -2 19 0.43 0.00 -6 -1 19 0.41 0.00 -5 -1 19 -0.15 0.00 -4 -1 19 -0.24 0.00 -3 -1 19 -0.14 0.00 -2 -1 19 0.81 0.00 -1 -1 19 0.56 0.00 0 -1 19 0.18 0.00 1 -1 19 0.05 0.00 2 -1 19 0.16 0.00 3 -1 19 -0.17 0.00 4 -1 19 0.38 0.00 -6 0 19 0.38 0.00 -5 0 19 0.04 0.00 -4 0 19 -0.36 0.00 -3 0 19 0.23 0.00 -2 0 19 0.32 0.00 -1 0 19 0.72 0.00 0 0 19 0.18 0.00 1 0 19 -0.05 0.00 2 0 19 0.32 0.00 3 0 19 -0.74 0.00 -6 1 19 0.28 0.00 -5 1 19 -0.19 0.00 -4 1 19 -0.50 0.00 -3 1 19 0.22 0.00 -2 1 19 -0.18 0.00 -1 1 19 0.67 0.00 0 1 19 0.21 0.00 1 1 19 -0.17 0.00 2 1 19 0.39 0.00 3 1 19 -0.75 0.00 -5 2 19 -0.29 0.00 -4 2 19 -0.23 0.00 -3 2 19 0.32 0.00 -2 2 19 -0.31 0.00 -1 2 19 0.44 0.00 0 2 19 0.48 0.00 1 2 19 -0.18 0.00 2 2 19 0.40 0.00 -4 3 19 -0.32 0.00 -3 3 19 0.32 0.00 -2 3 19 -0.42 0.00 -1 3 19 0.05 0.00 0 3 19 0.70 0.00 1 3 19 0.07 0.00 -2 -7 20 -0.25 0.00 -1 -7 20 0.63 0.00 -3 -6 20 -0.58 0.00 -2 -6 20 -0.34 0.00 -1 -6 20 0.54 0.00 0 -6 20 0.42 0.00 1 -6 20 -0.31 0.00 -4 -5 20 0.13 0.00 -3 -5 20 -0.41 0.00 -2 -5 20 0.05 0.00 -1 -5 20 0.20 0.00 0 -5 20 0.56 0.00 1 -5 20 -0.20 0.00 -4 -4 20 -0.02 0.00 -3 -4 20 -0.47 0.00 -2 -4 20 0.51 0.00 -1 -4 20 -0.19 0.00 0 -4 20 0.37 0.00 1 -4 20 -0.05 0.00 -5 -3 20 0.08 0.00 -4 -3 20 0.01 0.00 -3 -3 20 -0.37 0.00 -2 -3 20 0.96 0.00 -1 -3 20 -0.12 0.00 0 -3 20 0.14 0.00 1 -3 20 0.14 0.00 2 -3 20 0.16 0.00 -5 -2 20 -0.10 0.00 -4 -2 20 -0.17 0.00 -3 -2 20 -0.32 0.00 -2 -2 20 0.83 0.00 -1 -2 20 0.11 0.00 0 -2 20 0.04 0.00 1 -2 20 0.31 0.00 -4 -1 20 -0.15 0.00 -3 -1 20 0.12 0.00 -2 -1 20 0.58 0.00 -1 -1 20 0.45 0.00 0 -1 20 0.05 0.00 1 -1 20 0.41 0.00 -4 0 20 -0.33 0.00 -3 0 20 0.25 0.00 -2 0 20 0.17 0.00 -1 0 20 0.61 0.00 0 0 20 0.00 0.00 -2 1 20 -0.01 0.00 -1 1 20 0.63 0.00 1 0 0 7.60 0.00 0 1 0 63.35 0.00 12 2 0 -0.16 0.00 13 3 0 0.69 0.00 13 5 0 0.73 0.00 -12 -6 1 -0.02 0.00 0 -1 1 58.76 0.00 0 0 1 63.07 0.00 13 0 1 -0.50 0.00 13 2 1 -0.30 0.00 13 3 1 0.30 0.00 12 -2 2 -0.44 0.00 -11 5 2 -1.00 0.00 -11 4 3 -0.26 0.00 -11 3 4 0.46 0.00 -11 1 5 0.12 0.00 12 -5 7 1.49 0.00 9 -2 7 -0.98 0.00 12 -1 7 -0.20 0.00 11 -5 8 0.30 0.00 11 -2 8 0.21 0.00 -10 2 8 -0.08 0.00 10 -4 9 0.59 0.00 9 -2 10 0.55 0.00 -9 2 10 0.42 0.00 -8 3 11 1.15 0.00 0 0 0 0.00 0.00 # SQUEEZE RESULTS (Version = 220119) # Note: Data are Listed for all Voids in the P1 Unit Cell # i.e. Centre of Gravity, Solvent Accessible Volume, # Recovered number of Electrons in the Void and # Details about the Squeezed Material loop_ _platon_squeeze_void_nr _platon_squeeze_void_average_x _platon_squeeze_void_average_y _platon_squeeze_void_average_z _platon_squeeze_void_volume _platon_squeeze_void_count_electrons _platon_squeeze_void_content 1 -0.018 0.000 0.000 293 66 ' ' 2 -0.011 0.483 0.451 8 0 ' ' 3 0.014 0.522 0.565 6 0 ' ' # Missing Reflections Below sin(th)/lambda = 0.25 loop_ _platon_missing_refln_index_h _platon_missing_refln_index_k _platon_missing_refln_index_l _platon_missing_refln_theta 1 0 0 1.923 0 1 0 1.662 0 -1 1 1.976 0 0 1 1.403 _platon_squeeze_void_probe_radius 1.20 _platon_squeeze_details ) TITL final_a.res in P-1 CELL 10.6552 12.4511 14.8269 100.09 96.08 90.52 SPGR P-1 # Solvent Accessible Volume = 305 # Electrons Found in S.A.V. = 66 # Note: Atoms in Void are Labelled as Cxxx and Qxxx for all Others C101 0.890 1.003 0.092 ! 5.25 eA-3 C102 0.659 0.044-0.001 ! 4.38 eA-3 Q103 0.854 0.036 0.437 ! 3.36 eA-3 Q104 0.848 0.045 0.377 ! 3.29 eA-3 Q105 0.955 0.857 0.282 ! 2.73 eA-3 Q106 0.999 0.863 0.341 ! 2.52 eA-3 C107 0.802 0.016 0.001 ! 1.86 eA-3 C108 0.459 0.084 0.058 ! 1.66 eA-3 C109 0.063 0.981 0.035 ! 1.55 eA-3 C110 0.262 0.026 0.062 ! 1.37 eA-3 C111 1.000 1.000 0.000 ! 1.35 eA-3 C112 0.111 0.982 0.048 ! 1.31 eA-3 Q113 0.984 0.843 0.096 ! 1.22 eA-3 Q114 0.785 0.597 0.266 ! 1.13 eA-3 C115 0.938 0.936 0.046 ! 1.07 eA-3 Q116 0.929 0.237 0.031 ! 1.07 eA-3 Q117 0.201 0.106 0.013 ! 1.07 eA-3 Q118 0.313 0.778 0.140 ! 1.06 eA-3 Q119 0.902 0.895 0.438 ! 1.05 eA-3 Q120 0.515 0.651 0.095 ! 1.04 eA-3 Q121 0.043 0.706 0.096 ! 1.01 eA-3 Q122 0.547 0.895 0.186 ! 0.99 eA-3 Q123 0.812 0.293 0.483 ! 0.98 eA-3 Q124 0.308 0.734 0.314 ! 0.97 eA-3 Q125 0.052 0.766 0.049 ! 0.94 eA-3 Q126 0.284 0.699 0.092 ! 0.89 eA-3 Q127 0.600 0.640 0.394 ! 0.89 eA-3 Q128 0.611 0.106 0.500 ! 0.88 eA-3 Q129 0.135 0.656 0.453 ! 0.88 eA-3 Q130 0.846 0.637 0.294 ! 0.86 eA-3 Q131 0.163 0.592 0.341 ! 0.86 eA-3 Q132 0.673 0.749 0.314 ! 0.86 eA-3 Q133 0.543 0.682 0.365 ! 0.85 eA-3 Q134 0.693 0.720 0.189 ! 0.84 eA-3 Q135 0.434 0.723 0.092 ! 0.83 eA-3 Q136 0.489 0.019 0.373 ! 0.83 eA-3 Q137 0.382 0.396 0.361 ! 0.83 eA-3 Q138 0.174 0.220 0.392 ! 0.82 eA-3 Q139 0.684 0.216 0.284 ! 0.82 eA-3 Q140 0.303 0.952 0.267 ! 0.82 eA-3 Q141 0.484 0.234 0.296 ! 0.81 eA-3 Q142 0.215 0.544 0.284 ! 0.81 eA-3 Q143 0.256 0.814 0.389 ! 0.80 eA-3 Q144 0.350 1.000 0.333 ! 0.80 eA-3 Q145 0.213 0.737 0.142 ! 0.80 eA-3 Q146 0.587 0.795 0.221 ! 0.80 eA-3 Q147 0.660 0.432 0.049 ! 0.79 eA-3 Q148 0.020 0.631 0.073 ! 0.79 eA-3 Q149 0.370 0.174 0.453 ! 0.78 eA-3 Q150 0.827 0.532 0.297 ! 0.77 eA-3 Q151 0.872 0.444 0.265 ! 0.76 eA-3 Q152 0.591 0.795 0.315 ! 0.76 eA-3 Q153 0.847 0.514 0.248 ! 0.76 eA-3 Q154 0.606 0.393 0.498 ! 0.76 eA-3 Q155 0.635 0.343 0.064 ! 0.75 eA-3 Q156 0.648 0.142 0.231 ! 0.74 eA-3 Q157 0.105 0.625 0.294 ! 0.73 eA-3 Q158 0.871 0.409 0.496 ! 0.73 eA-3 Q159 0.312 0.644 0.063 ! 0.72 eA-3 Q160 0.130 0.519 0.324 ! 0.72 eA-3 Q161 0.162 0.108 0.315 ! 0.72 eA-3 Q162 0.828 0.594 0.473 ! 0.72 eA-3 Q163 0.325 0.513 0.470 ! 0.72 eA-3 Q164 0.726 0.676 0.488 ! 0.71 eA-3 Q165 0.832 0.231 0.231 ! 0.70 eA-3 Q166 0.792 0.860 0.373 ! 0.70 eA-3 Q167 0.564 0.450 0.079 ! 0.70 eA-3 Q168 0.657 0.575 0.300 ! 0.70 eA-3 Q169 0.140 0.080 0.264 ! 0.69 eA-3 Q170 0.653 0.860 0.189 ! 0.68 eA-3 Q171 0.249 0.157 0.372 ! 0.67 eA-3 Q172 0.366 0.562 0.074 ! 0.67 eA-3 Q173 0.239 0.200 0.014 ! 0.67 eA-3 Q174 0.268 0.066 0.309 ! 0.66 eA-3 Q175 0.975 0.576 0.099 ! 0.65 eA-3 Q176 0.380 0.046 0.359 ! 0.65 eA-3 Q177 0.040 0.296 0.390 ! 0.65 eA-3 Q178 0.593 0.869 0.121 ! 0.64 eA-3 C179 1.012 0.061 0.044 ! 0.64 eA-3 Q180 0.689 0.927 0.199 ! 0.64 eA-3 C181 0.064 0.047 0.061 ! 0.64 eA-3 Q182 0.502 0.155 0.481 ! 0.63 eA-3 Q183 0.708 0.453 0.077 ! 0.63 eA-3 Q184 0.180 0.330 0.453 ! 0.62 eA-3 Q185 0.433 0.469 0.358 ! 0.61 eA-3 Q186 0.086 0.720 0.454 ! 0.61 eA-3 Q187 0.312 0.605 0.437 ! 0.60 eA-3 Q188 0.767 0.346 0.264 ! 0.58 eA-3 Q189 0.149 0.671 0.043 ! 0.58 eA-3 Q190 0.773 0.418 0.249 ! 0.56 eA-3 Q191 0.597 0.266 0.297 ! 0.56 eA-3 Q192 0.472 0.500 0.389 ! 0.55 eA-3 Q193 0.409 0.548 0.426 ! 0.53 eA-3 Q194 0.948 0.473 0.216 ! 0.53 eA-3 Q195 0.419 0.658 0.240 ! 0.53 eA-3 Q196 0.768 0.640 0.064 ! 0.53 eA-3 Q197 0.276 0.185 0.421 ! 0.52 eA-3 Q198 0.967 0.862 0.031 ! 0.52 eA-3 Q199 0.053 0.270 0.204 ! 0.51 eA-3 ) ; _shelx_fab_checksum 10593 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 N1 N 0.31646(15) 0.44685(14) 0.68811(11) 0.0240(3) Uani 1 1 d . . . . . Cl1 Cl 0.02387(6) 0.14471(5) 0.68819(5) 0.04826(17) Uani 1 1 d . . . . . Al1 Al 0.42585(5) 0.33443(5) 0.63417(4) 0.02060(13) Uani 1 1 d D . . . . N2 N 0.54549(14) 0.45571(13) 0.61099(11) 0.0196(3) Uani 1 1 d . . . . . Cl2 Cl 0.14619(7) -0.04152(5) 0.59107(6) 0.05289(19) Uani 1 1 d . . . . . N3 N 0.56346(15) 0.23346(13) 0.57943(11) 0.0223(3) Uani 1 1 d . . . . . N4 N 0.31905(15) 0.29619(13) 0.51875(11) 0.0211(3) Uani 1 1 d . . . . . O1 O 0.3663(2) 0.2264(2) 0.68637(17) 0.0248(5) Uani 0.924(2) 1 d D . P A 1 O2 O 0.5415(3) 0.3633(4) 0.76679(12) 0.0261(6) Uani 0.924(2) 1 d D . P A 1 C1 C 0.3811(2) 0.2355(2) 0.78121(19) 0.0275(6) Uani 0.924(2) 1 d D . P A 1 H1 H 0.303825 0.268983 0.805714 0.033 Uiso 0.924(2) 1 calc R U P A 1 C2 C 0.3978(4) 0.1254(3) 0.8117(3) 0.0394(10) Uani 0.924(2) 1 d D . P A 1 H2A H 0.328189 0.075397 0.781684 0.059 Uiso 0.924(2) 1 calc R U P A 1 H2B H 0.397986 0.134867 0.878712 0.059 Uiso 0.924(2) 1 calc R U P A 1 H2C H 0.478140 0.095014 0.794238 0.059 Uiso 0.924(2) 1 calc R U P A 1 C3 C 0.4923(2) 0.3126(3) 0.81760(17) 0.0274(7) Uani 0.924(2) 1 d D . P A 1 O3 O 0.5290(2) 0.3226(3) 0.90715(15) 0.0385(6) Uani 0.924(2) 1 d D . P A 1 C4 C 0.6414(3) 0.3895(3) 0.9429(3) 0.0377(7) Uani 0.924(2) 1 d D . P A 1 H4 H 0.635697 0.460921 0.920934 0.045 Uiso 0.924(2) 1 calc R U P A 1 C5 C 0.6439(5) 0.4078(9) 1.0473(3) 0.0479(9) Uani 0.924(2) 1 d D . P A 1 H5A H 0.568629 0.446969 1.065516 0.072 Uiso 0.924(2) 1 calc R U P A 1 H5B H 0.719708 0.451082 1.075710 0.072 Uiso 0.924(2) 1 calc R U P A 1 H5C H 0.644925 0.337222 1.067996 0.072 Uiso 0.924(2) 1 calc R U P A 1 C6 C 0.7557(3) 0.3289(3) 0.90926(18) 0.0412(7) Uani 0.924(2) 1 d D . P A 1 O4 O 0.7535(3) 0.2401(2) 0.86290(17) 0.0554(7) Uani 0.924(2) 1 d D . P A 1 O5 O 0.8587(2) 0.3919(2) 0.93918(14) 0.0476(5) Uani 0.924(2) 1 d D . P A 1 C7 C 0.9816(3) 0.3513(3) 0.9158(2) 0.0644(10) Uani 0.924(2) 1 d D . P A 1 H7A H 1.024860 0.406081 0.888032 0.077 Uiso 0.924(2) 1 calc R U P A 1 H7AB H 0.968619 0.283622 0.869118 0.077 Uiso 0.924(2) 1 calc R U P A 1 C8 C 1.0645(3) 0.32779(17) 0.99801(19) 0.0466(7) Uani 0.924(2) 1 d D . P A 1 C9 C 1.0164(3) 0.3053(3) 1.0763(2) 0.0546(8) Uani 0.924(2) 1 d D . P A 1 H9 H 0.927812 0.304052 1.079215 0.066 Uiso 0.924(2) 1 calc R U P A 1 C10 C 1.0980(3) 0.2845(3) 1.1504(2) 0.0584(9) Uani 0.924(2) 1 d D . P A 1 H10 H 1.064242 0.270243 1.203984 0.070 Uiso 0.924(2) 1 calc R U P A 1 C11 C 1.2231(3) 0.2841(3) 1.1478(3) 0.0616(9) Uani 0.924(2) 1 d D . P A 1 H11 H 1.277557 0.268515 1.198613 0.074 Uiso 0.924(2) 1 calc R U P A 1 C12 C 1.2728(3) 0.3071(3) 1.0693(3) 0.0712(12) Uani 0.924(2) 1 d D . P A 1 H12 H 1.361466 0.307684 1.066683 0.085 Uiso 0.924(2) 1 calc R U P A 1 C13 C 1.1931(3) 0.3287(3) 0.9962(3) 0.0600(9) Uani 0.924(2) 1 d D . P A 1 H13 H 1.227500 0.344646 0.943271 0.072 Uiso 0.924(2) 1 calc R U P A 1 O1' O 0.343(3) 0.241(3) 0.689(2) 0.0248(5) Uani 0.076(2) 1 d D . P A 2 O2' O 0.523(5) 0.366(6) 0.7737(15) 0.0261(6) Uani 0.076(2) 1 d D . P A 2 C1' C 0.352(3) 0.246(3) 0.784(2) 0.0275(6) Uani 0.076(2) 1 d D . P A 2 H1' H 0.273661 0.278735 0.807468 0.033 Uiso 0.076(2) 1 calc R U P A 2 C2' C 0.368(7) 0.134(4) 0.810(5) 0.0394(10) Uani 0.076(2) 1 d D . P A 2 H2'A H 0.387637 0.081381 0.755992 0.059 Uiso 0.076(2) 1 calc R U P A 2 H2'B H 0.290240 0.110413 0.831173 0.059 Uiso 0.076(2) 1 calc R U P A 2 H2'C H 0.437851 0.137107 0.859298 0.059 Uiso 0.076(2) 1 calc R U P A 2 C3' C 0.464(4) 0.321(4) 0.8235(19) 0.0274(7) Uani 0.076(2) 1 d D . P A 2 O3' O 0.499(3) 0.328(5) 0.9137(19) 0.0385(6) Uani 0.076(2) 1 d D . P A 2 C4' C 0.623(3) 0.381(4) 0.946(4) 0.0377(7) Uani 0.076(2) 1 d D . P A 2 H4' H 0.632346 0.448338 0.919641 0.045 Uiso 0.076(2) 1 calc R U P A 2 C5' C 0.623(6) 0.411(12) 1.051(4) 0.0479(9) Uani 0.076(2) 1 d D . P A 2 H5'A H 0.551141 0.457324 1.064543 0.072 Uiso 0.076(2) 1 calc R U P A 2 H5'B H 0.701675 0.450128 1.077574 0.072 Uiso 0.076(2) 1 calc R U P A 2 H5'C H 0.615058 0.344148 1.076557 0.072 Uiso 0.076(2) 1 calc R U P A 2 C6' C 0.726(2) 0.302(3) 0.918(2) 0.0412(7) Uani 0.076(2) 1 d D . P A 2 O4' O 0.698(3) 0.217(2) 0.867(2) 0.0554(7) Uani 0.076(2) 1 d D . P A 2 O5' O 0.8425(19) 0.335(2) 0.9559(17) 0.0476(5) Uani 0.076(2) 1 d D . P A 2 C7' C 0.937(2) 0.248(2) 0.9462(18) 0.0644(10) Uani 0.076(2) 1 d D . P A 2 H7'A H 0.899332 0.182280 0.962587 0.077 Uiso 0.076(2) 1 calc R U P A 2 H7'B H 0.950800 0.230458 0.880354 0.077 Uiso 0.076(2) 1 calc R U P A 2 C8' C 1.0593(19) 0.2704(19) 0.9998(13) 0.0466(7) Uani 0.076(2) 1 d D . P A 2 C9' C 1.101(2) 0.354(2) 1.0708(16) 0.0546(8) Uani 0.076(2) 1 d D . P A 2 H9' H 1.043845 0.408358 1.090688 0.066 Uiso 0.076(2) 1 calc R U P A 2 C10' C 1.224(3) 0.362(3) 1.1152(19) 0.0584(9) Uani 0.076(2) 1 d D . P A 2 H10' H 1.250031 0.420670 1.164186 0.070 Uiso 0.076(2) 1 calc R U P A 2 C11' C 1.304(3) 0.284(3) 1.085(2) 0.0616(9) Uani 0.076(2) 1 d D . P A 2 H11' H 1.388669 0.285518 1.112978 0.074 Uiso 0.076(2) 1 calc R U P A 2 C12' C 1.259(2) 0.200(3) 1.014(2) 0.0712(12) Uani 0.076(2) 1 d D . P A 2 H12A H 1.316149 0.200695 0.965071 0.085 Uiso 0.076(2) 1 calc R U P A 2 H12B H 1.274079 0.131333 1.037290 0.085 Uiso 0.076(2) 1 calc R U P A 2 C13' C 1.143(2) 0.192(2) 0.971(2) 0.0600(9) Uani 0.076(2) 1 d D . P A 2 H13' H 1.118326 0.132845 0.922612 0.072 Uiso 0.076(2) 1 calc R U P A 2 C14 C 0.33784(18) 0.55700(16) 0.70506(12) 0.0218(4) Uani 1 1 d . . . . . C15 C 0.19574(19) 0.43249(18) 0.71246(14) 0.0294(4) Uani 1 1 d . . . . . H15 H 0.155385 0.363178 0.708295 0.035 Uiso 1 1 calc R U . . . C16 C 0.1416(2) 0.52939(19) 0.74308(15) 0.0311(5) Uani 1 1 d . . . . . H16 H 0.059932 0.539018 0.762884 0.037 Uiso 1 1 calc R U . . . C17 C 0.23245(19) 0.61335(18) 0.73938(14) 0.0268(4) Uani 1 1 d . . . . . C18 C 0.2378(2) 0.72690(19) 0.76001(16) 0.0345(5) Uani 1 1 d . . . . . H18 H 0.167577 0.765633 0.781999 0.041 Uiso 1 1 calc R U . . . C19 C 0.3462(2) 0.78329(19) 0.74834(17) 0.0371(5) Uani 1 1 d . . . . . H19 H 0.350542 0.860628 0.764295 0.044 Uiso 1 1 calc R U . . . C20 C 0.4486(2) 0.72791(17) 0.71352(15) 0.0297(4) Uani 1 1 d . . . . . H20 H 0.521301 0.768271 0.705219 0.036 Uiso 1 1 calc R U . . . C21 C 0.44634(18) 0.61404(15) 0.69057(13) 0.0224(4) Uani 1 1 d . . . . . C22 C 0.54422(18) 0.55941(15) 0.64257(13) 0.0212(4) Uani 1 1 d . . . . . H22 H 0.613798 0.602864 0.633198 0.025 Uiso 1 1 calc R U . . . C23 C 0.64704(18) 0.42231(16) 0.55259(13) 0.0221(4) Uani 1 1 d . . . . . H23A H 0.686047 0.488611 0.537693 0.026 Uiso 1 1 calc R U . . . H23B H 0.608966 0.377859 0.493919 0.026 Uiso 1 1 calc R U . . . C24 C 0.75133(18) 0.35683(16) 0.59537(14) 0.0240(4) Uani 1 1 d . . . . . C25 C 0.8387(2) 0.3228(2) 0.51997(18) 0.0371(5) Uani 1 1 d . . . . . H25A H 0.790732 0.277585 0.466442 0.056 Uiso 1 1 calc R U . . . H25B H 0.908291 0.281063 0.543714 0.056 Uiso 1 1 calc R U . . . H25C H 0.872780 0.388142 0.501613 0.056 Uiso 1 1 calc R U . . . C26 C 0.8236(2) 0.42692(19) 0.67968(17) 0.0345(5) Uani 1 1 d . . . . . H26A H 0.861487 0.490890 0.661638 0.052 Uiso 1 1 calc R U . . . H26B H 0.890308 0.384148 0.705876 0.052 Uiso 1 1 calc R U . . . H26C H 0.765563 0.450844 0.725796 0.052 Uiso 1 1 calc R U . . . C27 C 0.69407(18) 0.25378(16) 0.62348(14) 0.0253(4) Uani 1 1 d . . . . . H27A H 0.745615 0.189807 0.604069 0.030 Uiso 1 1 calc R U . . . H27B H 0.694830 0.264808 0.691306 0.030 Uiso 1 1 calc R U . . . C28 C 0.32952(18) 0.20268(15) 0.45524(13) 0.0222(4) Uani 1 1 d . . . . . C29 C 0.20096(18) 0.33536(16) 0.49364(14) 0.0242(4) Uani 1 1 d . . . . . H29 H 0.167255 0.399447 0.525904 0.029 Uiso 1 1 calc R U . . . C30 C 0.1388(2) 0.27130(18) 0.41729(14) 0.0275(4) Uani 1 1 d . . . . . H30 H 0.057619 0.282909 0.387942 0.033 Uiso 1 1 calc R U . . . C31 C 0.21976(19) 0.18380(17) 0.39051(13) 0.0257(4) Uani 1 1 d . . . . . C32 C 0.2129(2) 0.09138(19) 0.32034(15) 0.0329(5) Uani 1 1 d . . . . . H32 H 0.139647 0.076589 0.277229 0.039 Uiso 1 1 calc R U . . . C33 C 0.3137(2) 0.02206(18) 0.31449(16) 0.0353(5) Uani 1 1 d . . . . . H33 H 0.308774 -0.040528 0.267157 0.042 Uiso 1 1 calc R U . . . C34 C 0.4217(2) 0.04245(16) 0.37659(15) 0.0295(4) Uani 1 1 d . . . . . H34 H 0.490347 -0.005372 0.369968 0.035 Uiso 1 1 calc R U . . . C35 C 0.43142(19) 0.13240(16) 0.44904(14) 0.0246(4) Uani 1 1 d . . . . . C36 C 0.54749(19) 0.15486(16) 0.50969(14) 0.0243(4) Uani 1 1 d . . . . . H36 H 0.616468 0.108746 0.497395 0.029 Uiso 1 1 calc R U . . . C37 C 0.1192(2) 0.09942(19) 0.59898(17) 0.0353(5) Uani 1 1 d . . . . . H37A H 0.076690 0.113392 0.539634 0.042 Uiso 1 1 calc R U . . . H37B H 0.200881 0.140622 0.611568 0.042 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 0.0194(8) 0.0259(8) 0.0250(8) -0.0009(6) 0.0042(6) -0.0062(6) Cl1 0.0428(4) 0.0351(3) 0.0680(4) 0.0033(3) 0.0208(3) 0.0012(2) Al1 0.0191(3) 0.0202(3) 0.0217(3) 0.0016(2) 0.0027(2) -0.0051(2) N2 0.0166(7) 0.0220(7) 0.0202(7) 0.0048(6) 0.0011(6) -0.0019(5) Cl2 0.0439(4) 0.0300(3) 0.0795(5) -0.0056(3) 0.0076(3) 0.0036(2) N3 0.0202(8) 0.0207(8) 0.0272(8) 0.0068(6) 0.0036(6) -0.0029(6) N4 0.0197(8) 0.0219(8) 0.0216(7) 0.0026(6) 0.0036(6) -0.0033(6) O1 0.0285(13) 0.0251(11) 0.0204(7) 0.0024(7) 0.0033(7) -0.0070(8) O2 0.0261(14) 0.0287(8) 0.0232(7) 0.0053(7) 0.0007(8) -0.0051(11) C1 0.0303(15) 0.0296(12) 0.0233(10) 0.0037(8) 0.0080(10) -0.0044(11) C2 0.054(3) 0.0327(14) 0.0324(12) 0.0097(11) 0.0047(18) -0.0084(14) C3 0.0318(16) 0.0291(12) 0.0206(10) 0.0031(8) 0.0029(9) -0.0021(12) O3 0.0492(15) 0.0432(11) 0.0217(8) 0.0068(8) -0.0032(9) -0.0147(14) C4 0.0440(16) 0.0388(14) 0.0268(11) 0.0020(10) -0.0055(12) -0.0102(12) C5 0.054(3) 0.0597(19) 0.0245(12) -0.0024(12) -0.0028(14) -0.004(2) C6 0.0567(18) 0.0456(17) 0.0212(11) 0.0097(11) -0.0032(11) 0.0006(13) O4 0.0734(19) 0.0453(13) 0.0425(11) -0.0005(10) -0.0042(13) 0.0078(12) O5 0.0469(12) 0.0586(14) 0.0370(10) 0.0081(9) 0.0038(9) -0.0021(10) C7 0.060(2) 0.105(3) 0.0320(15) 0.0154(17) 0.0137(14) 0.021(2) C8 0.0452(16) 0.0537(19) 0.0389(14) 0.0001(13) 0.0095(12) -0.0021(14) C9 0.0404(17) 0.083(2) 0.0418(16) 0.0114(16) 0.0115(13) 0.0055(15) C10 0.054(2) 0.081(2) 0.0430(16) 0.0142(16) 0.0115(14) 0.0159(17) C11 0.054(2) 0.068(2) 0.059(2) 0.0078(17) -0.0061(16) 0.0050(16) C12 0.0342(18) 0.076(3) 0.105(3) 0.023(2) 0.003(2) 0.0018(17) C13 0.0501(19) 0.069(2) 0.064(2) 0.0105(17) 0.0238(16) -0.0051(16) O1' 0.0285(13) 0.0251(11) 0.0204(7) 0.0024(7) 0.0033(7) -0.0070(8) O2' 0.0261(14) 0.0287(8) 0.0232(7) 0.0053(7) 0.0007(8) -0.0051(11) C1' 0.0303(15) 0.0296(12) 0.0233(10) 0.0037(8) 0.0080(10) -0.0044(11) C2' 0.054(3) 0.0327(14) 0.0324(12) 0.0097(11) 0.0047(18) -0.0084(14) C3' 0.0318(16) 0.0291(12) 0.0206(10) 0.0031(8) 0.0029(9) -0.0021(12) O3' 0.0492(15) 0.0432(11) 0.0217(8) 0.0068(8) -0.0032(9) -0.0147(14) C4' 0.0440(16) 0.0388(14) 0.0268(11) 0.0020(10) -0.0055(12) -0.0102(12) C5' 0.054(3) 0.0597(19) 0.0245(12) -0.0024(12) -0.0028(14) -0.004(2) C6' 0.0567(18) 0.0456(17) 0.0212(11) 0.0097(11) -0.0032(11) 0.0006(13) O4' 0.0734(19) 0.0453(13) 0.0425(11) -0.0005(10) -0.0042(13) 0.0078(12) O5' 0.0469(12) 0.0586(14) 0.0370(10) 0.0081(9) 0.0038(9) -0.0021(10) C7' 0.060(2) 0.105(3) 0.0320(15) 0.0154(17) 0.0137(14) 0.021(2) C8' 0.0452(16) 0.0537(19) 0.0389(14) 0.0001(13) 0.0095(12) -0.0021(14) C9' 0.0404(17) 0.083(2) 0.0418(16) 0.0114(16) 0.0115(13) 0.0055(15) C10' 0.054(2) 0.081(2) 0.0430(16) 0.0142(16) 0.0115(14) 0.0159(17) C11' 0.054(2) 0.068(2) 0.059(2) 0.0078(17) -0.0061(16) 0.0050(16) C12' 0.0342(18) 0.076(3) 0.105(3) 0.023(2) 0.003(2) 0.0018(17) C13' 0.0501(19) 0.069(2) 0.064(2) 0.0105(17) 0.0238(16) -0.0051(16) C14 0.0215(9) 0.0239(9) 0.0182(8) 0.0004(7) -0.0002(7) -0.0015(7) C15 0.0226(10) 0.0336(11) 0.0292(10) -0.0038(8) 0.0062(8) -0.0102(8) C16 0.0192(10) 0.0412(12) 0.0292(10) -0.0044(9) 0.0039(8) -0.0044(8) C17 0.0233(10) 0.0329(11) 0.0224(9) -0.0008(8) 0.0035(7) 0.0006(8) C18 0.0354(12) 0.0331(11) 0.0350(11) 0.0027(9) 0.0089(9) 0.0066(9) C19 0.0457(14) 0.0235(10) 0.0430(13) 0.0040(9) 0.0127(11) 0.0041(9) C20 0.0351(11) 0.0226(10) 0.0322(10) 0.0053(8) 0.0075(9) -0.0023(8) C21 0.0240(9) 0.0220(9) 0.0209(8) 0.0033(7) 0.0015(7) -0.0016(7) C22 0.0190(9) 0.0230(9) 0.0216(8) 0.0061(7) -0.0014(7) -0.0041(7) C23 0.0202(9) 0.0232(9) 0.0238(9) 0.0060(7) 0.0041(7) -0.0022(7) C24 0.0175(9) 0.0241(9) 0.0309(10) 0.0058(8) 0.0033(7) -0.0005(7) C25 0.0306(12) 0.0357(12) 0.0507(14) 0.0147(10) 0.0185(10) 0.0073(9) C26 0.0233(10) 0.0314(11) 0.0459(13) 0.0064(10) -0.0088(9) -0.0054(8) C27 0.0211(9) 0.0255(9) 0.0296(10) 0.0065(8) 0.0014(8) -0.0013(7) C28 0.0247(9) 0.0204(9) 0.0220(9) 0.0042(7) 0.0052(7) -0.0068(7) C29 0.0207(9) 0.0263(10) 0.0265(9) 0.0060(7) 0.0043(7) -0.0017(7) C30 0.0236(10) 0.0325(11) 0.0271(10) 0.0080(8) 0.0014(8) -0.0057(8) C31 0.0275(10) 0.0271(10) 0.0226(9) 0.0050(7) 0.0024(7) -0.0092(8) C32 0.0379(12) 0.0322(11) 0.0261(10) 0.0017(8) -0.0009(9) -0.0124(9) C33 0.0487(14) 0.0249(10) 0.0294(11) -0.0030(8) 0.0047(10) -0.0100(9) C34 0.0388(12) 0.0202(9) 0.0298(10) 0.0021(8) 0.0085(9) -0.0037(8) C35 0.0293(10) 0.0197(9) 0.0255(9) 0.0039(7) 0.0060(8) -0.0052(7) C36 0.0252(10) 0.0206(9) 0.0288(10) 0.0058(7) 0.0081(8) -0.0004(7) C37 0.0301(11) 0.0299(11) 0.0442(13) 0.0023(9) 0.0038(10) -0.0046(8) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Al Al 0.0645 0.0514 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Cl Cl 0.1484 0.1585 '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' 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 C14 N1 C15 104.80(17) . . ? C14 N1 Al1 127.76(13) . . ? C15 N1 Al1 127.33(14) . . ? O1' Al1 N4 93.0(9) . . ? O1 Al1 N4 95.56(9) . . ? O1' Al1 N1 86.9(13) . . ? O1 Al1 N1 96.24(9) . . ? N4 Al1 N1 94.99(7) . . ? O1' Al1 N2 163.1(9) . . ? O1 Al1 N2 159.55(9) . . ? N4 Al1 N2 103.71(7) . . ? N1 Al1 N2 88.93(7) . . ? O1' Al1 N3 100.4(13) . . ? O1 Al1 N3 90.80(8) . . ? N4 Al1 N3 89.49(7) . . ? N1 Al1 N3 171.24(7) . . ? N2 Al1 N3 82.69(6) . . ? O1 Al1 O2 79.47(11) . . ? N4 Al1 O2 174.88(12) . . ? N1 Al1 O2 86.84(14) . . ? N2 Al1 O2 81.07(9) . . ? N3 Al1 O2 89.33(13) . . ? O1' Al1 O2' 78.5(12) . . ? N4 Al1 O2' 171.0(9) . . ? N1 Al1 O2' 82(2) . . ? N2 Al1 O2' 84.7(10) . . ? N3 Al1 O2' 95(2) . . ? C22 N2 C23 114.61(15) . . ? C22 N2 Al1 128.03(13) . . ? C23 N2 Al1 117.36(12) . . ? C36 N3 C27 115.75(17) . . ? C36 N3 Al1 126.97(14) . . ? C27 N3 Al1 117.28(13) . . ? C28 N4 C29 104.77(16) . . ? C28 N4 Al1 124.44(13) . . ? C29 N4 Al1 128.59(13) . . ? C1 O1 Al1 119.67(18) . . ? C3 O2 Al1 107.50(17) . . ? O1 C1 C3 107.23(19) . . ? O1 C1 C2 112.5(2) . . ? C3 C1 C2 112.0(2) . . ? O1 C1 H1 108.4 . . ? C3 C1 H1 108.4 . . ? C2 C1 H1 108.4 . . ? C1 C2 H2A 109.5 . . ? C1 C2 H2B 109.5 . . ? H2A C2 H2B 109.5 . . ? C1 C2 H2C 109.5 . . ? H2A C2 H2C 109.5 . . ? H2B C2 H2C 109.5 . . ? O2 C3 O3 123.5(2) . . ? O2 C3 C1 120.8(2) . . ? O3 C3 C1 115.8(2) . . ? C3 O3 C4 117.1(3) . . ? O3 C4 C6 108.6(3) . . ? O3 C4 C5 105.6(3) . . ? C6 C4 C5 112.6(3) . . ? O3 C4 H4 110.0 . . ? C6 C4 H4 110.0 . . ? C5 C4 H4 110.0 . . ? C4 C5 H5A 109.5 . . ? C4 C5 H5B 109.5 . . ? H5A C5 H5B 109.5 . . ? C4 C5 H5C 109.5 . . ? H5A C5 H5C 109.5 . . ? H5B C5 H5C 109.5 . . ? O4 C6 O5 125.5(3) . . ? O4 C6 C4 125.7(3) . . ? O5 C6 C4 108.7(2) . . ? C6 O5 C7 119.1(3) . . ? O5 C7 C8 112.6(2) . . ? O5 C7 H7A 109.1 . . ? C8 C7 H7A 109.1 . . ? O5 C7 H7AB 109.1 . . ? C8 C7 H7AB 109.1 . . ? H7A C7 H7AB 107.8 . . ? C13 C8 C9 118.4(3) . . ? C13 C8 C7 119.0(3) . . ? C9 C8 C7 122.6(3) . . ? C8 C9 C10 119.9(3) . . ? C8 C9 H9 120.0 . . ? C10 C9 H9 120.0 . . ? C11 C10 C9 121.5(3) . . ? C11 C10 H10 119.3 . . ? C9 C10 H10 119.3 . . ? C10 C11 C12 119.1(3) . . ? C10 C11 H11 120.4 . . ? C12 C11 H11 120.4 . . ? C13 C12 C11 119.9(3) . . ? C13 C12 H12 120.1 . . ? C11 C12 H12 120.1 . . ? C12 C13 C8 121.2(3) . . ? C12 C13 H13 119.4 . . ? C8 C13 H13 119.4 . . ? C1' O1' Al1 123.4(19) . . ? C3' O2' Al1 109.2(17) . . ? O1' C1' C3' 106(2) . . ? O1' C1' C2' 112(3) . . ? C3' C1' C2' 111(3) . . ? O1' C1' H1' 109.2 . . ? C3' C1' H1' 109.2 . . ? C2' C1' H1' 109.2 . . ? C1' C2' H2'A 109.5 . . ? C1' C2' H2'B 109.5 . . ? H2'A C2' H2'B 109.5 . . ? C1' C2' H2'C 109.5 . . ? H2'A C2' H2'C 109.5 . . ? H2'B C2' H2'C 109.5 . . ? O2' C3' O3' 123(2) . . ? O2' C3' C1' 121(2) . . ? O3' C3' C1' 116(2) . . ? C3' O3' C4' 115(3) . . ? O3' C4' C6' 109(2) . . ? O3' C4' C5' 104(3) . . ? C6' C4' C5' 113(3) . . ? O3' C4' H4' 109.8 . . ? C6' C4' H4' 109.8 . . ? C5' C4' H4' 109.8 . . ? C4' C5' H5'A 109.5 . . ? C4' C5' H5'B 109.5 . . ? H5'A C5' H5'B 109.5 . . ? C4' C5' H5'C 109.5 . . ? H5'A C5' H5'C 109.5 . . ? H5'B C5' H5'C 109.5 . . ? O4' C6' O5' 126(2) . . ? O4' C6' C4' 120(2) . . ? O5' C6' C4' 113.8(19) . . ? C6' O5' C7' 113.6(19) . . ? C8' C7' O5' 118(2) . . ? C8' C7' H7'A 107.9 . . ? O5' C7' H7'A 107.9 . . ? C8' C7' H7'B 107.9 . . ? O5' C7' H7'B 107.9 . . ? H7'A C7' H7'B 107.2 . . ? C13' C8' C9' 117.9(18) . . ? C13' C8' C7' 110.9(18) . . ? C9' C8' C7' 131.2(19) . . ? C8' C9' C10' 124(2) . . ? C8' C9' H9' 118.2 . . ? C10' C9' H9' 118.2 . . ? C11' C10' C9' 117(2) . . ? C11' C10' H10' 121.5 . . ? C9' C10' H10' 121.5 . . ? C10' C11' C12' 119(2) . . ? C10' C11' H11' 120.7 . . ? C12' C11' H11' 120.7 . . ? C13' C12' C11' 125(2) . . ? C13' C12' H12A 106.2 . . ? C11' C12' H12A 106.2 . . ? C13' C12' H12B 106.2 . . ? C11' C12' H12B 106.2 . . ? H12A C12' H12B 106.3 . . ? C12' C13' C8' 118(2) . . ? C12' C13' H13' 120.8 . . ? C8' C13' H13' 120.8 . . ? N1 C14 C21 127.32(18) . . ? N1 C14 C17 111.54(17) . . ? C21 C14 C17 121.13(18) . . ? C16 C15 N1 112.40(19) . . ? C16 C15 H15 123.8 . . ? N1 C15 H15 123.8 . . ? C15 C16 C17 106.40(18) . . ? C15 C16 H16 126.8 . . ? C17 C16 H16 126.8 . . ? C18 C17 C14 119.23(19) . . ? C18 C17 C16 135.9(2) . . ? C14 C17 C16 104.86(18) . . ? C19 C18 C17 119.8(2) . . ? C19 C18 H18 120.1 . . ? C17 C18 H18 120.1 . . ? C18 C19 C20 120.8(2) . . ? C18 C19 H19 119.6 . . ? C20 C19 H19 119.6 . . ? C19 C20 C21 121.2(2) . . ? C19 C20 H20 119.4 . . ? C21 C20 H20 119.4 . . ? C20 C21 C14 117.77(18) . . ? C20 C21 C22 120.35(18) . . ? C14 C21 C22 121.35(17) . . ? N2 C22 C21 125.33(17) . . ? N2 C22 H22 117.3 . . ? C21 C22 H22 117.3 . . ? N2 C23 C24 115.03(15) . . ? N2 C23 H23A 108.5 . . ? C24 C23 H23A 108.5 . . ? N2 C23 H23B 108.5 . . ? C24 C23 H23B 108.5 . . ? H23A C23 H23B 107.5 . . ? C26 C24 C23 110.48(17) . . ? C26 C24 C25 110.61(18) . . ? C23 C24 C25 105.73(17) . . ? C26 C24 C27 109.50(17) . . ? C23 C24 C27 110.50(15) . . ? C25 C24 C27 109.98(17) . . ? C24 C25 H25A 109.5 . . ? C24 C25 H25B 109.5 . . ? H25A C25 H25B 109.5 . . ? C24 C25 H25C 109.5 . . ? H25A C25 H25C 109.5 . . ? H25B C25 H25C 109.5 . . ? C24 C26 H26A 109.5 . . ? C24 C26 H26B 109.5 . . ? H26A C26 H26B 109.5 . . ? C24 C26 H26C 109.5 . . ? H26A C26 H26C 109.5 . . ? H26B C26 H26C 109.5 . . ? N3 C27 C24 109.76(15) . . ? N3 C27 H27A 109.7 . . ? C24 C27 H27A 109.7 . . ? N3 C27 H27B 109.7 . . ? C24 C27 H27B 109.7 . . ? H27A C27 H27B 108.2 . . ? N4 C28 C35 127.92(18) . . ? N4 C28 C31 110.79(18) . . ? C35 C28 C31 121.28(18) . . ? C30 C29 N4 112.48(18) . . ? C30 C29 H29 123.8 . . ? N4 C29 H29 123.8 . . ? C29 C30 C31 106.42(18) . . ? C29 C30 H30 126.8 . . ? C31 C30 H30 126.8 . . ? C32 C31 C28 119.0(2) . . ? C32 C31 C30 135.4(2) . . ? C28 C31 C30 105.54(17) . . ? C33 C32 C31 119.5(2) . . ? C33 C32 H32 120.2 . . ? C31 C32 H32 120.2 . . ? C32 C33 C34 121.1(2) . . ? C32 C33 H33 119.4 . . ? C34 C33 H33 119.4 . . ? C33 C34 C35 121.3(2) . . ? C33 C34 H34 119.4 . . ? C35 C34 H34 119.4 . . ? C28 C35 C34 117.75(19) . . ? C28 C35 C36 122.03(18) . . ? C34 C35 C36 120.03(19) . . ? N3 C36 C35 124.18(19) . . ? N3 C36 H36 117.9 . . ? C35 C36 H36 117.9 . . ? Cl2 C37 Cl1 110.41(13) . . ? Cl2 C37 H37A 109.6 . . ? Cl1 C37 H37A 109.6 . . ? Cl2 C37 H37B 109.6 . . ? Cl1 C37 H37B 109.6 . . ? H37A C37 H37B 108.1 . . ? 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 C14 1.363(2) . ? N1 C15 1.391(3) . ? N1 Al1 1.9475(18) . ? Cl1 C37 1.770(3) . ? Al1 O1' 1.80(4) . ? Al1 O1 1.807(3) . ? Al1 N4 1.9344(17) . ? Al1 N2 2.0647(16) . ? Al1 N3 2.0779(18) . ? Al1 O2 2.1784(17) . ? Al1 O2' 2.180(10) . ? N2 C22 1.295(2) . ? N2 C23 1.475(2) . ? Cl2 C37 1.766(2) . ? N3 C36 1.289(3) . ? N3 C27 1.473(2) . ? N4 C28 1.377(2) . ? N4 C29 1.391(3) . ? O1 C1 1.383(3) . ? O2 C3 1.219(3) . ? C1 C3 1.510(3) . ? C1 C2 1.523(3) . ? C1 H1 1.0000 . ? C2 H2A 0.9800 . ? C2 H2B 0.9800 . ? C2 H2C 0.9800 . ? C3 O3 1.328(3) . ? O3 C4 1.449(3) . ? C4 C6 1.521(4) . ? C4 C5 1.522(4) . ? C4 H4 1.0000 . ? C5 H5A 0.9800 . ? C5 H5B 0.9800 . ? C5 H5C 0.9800 . ? C6 O4 1.194(4) . ? C6 O5 1.333(4) . ? O5 C7 1.462(4) . ? C7 C8 1.501(4) . ? C7 H7A 0.9900 . ? C7 H7AB 0.9900 . ? C8 C13 1.374(4) . ? C8 C9 1.387(4) . ? C9 C10 1.390(5) . ? C9 H9 0.9500 . ? C10 C11 1.337(5) . ? C10 H10 0.9500 . ? C11 C12 1.401(6) . ? C11 H11 0.9500 . ? C12 C13 1.371(6) . ? C12 H12 0.9500 . ? C13 H13 0.9500 . ? O1' C1' 1.395(18) . ? O2' C3' 1.222(18) . ? C1' C3' 1.509(17) . ? C1' C2' 1.524(19) . ? C1' H1' 1.0000 . ? C2' H2'A 0.9800 . ? C2' H2'B 0.9800 . ? C2' H2'C 0.9800 . ? C3' O3' 1.337(17) . ? O3' C4' 1.468(19) . ? C4' C6' 1.522(18) . ? C4' C5' 1.524(19) . ? C4' H4' 1.0000 . ? C5' H5'A 0.9800 . ? C5' H5'B 0.9800 . ? C5' H5'C 0.9800 . ? C6' O4' 1.200(18) . ? C6' O5' 1.345(17) . ? O5' C7' 1.484(18) . ? C7' C8' 1.451(17) . ? C7' H7'A 0.9900 . ? C7' H7'B 0.9900 . ? C8' C13' 1.373(18) . ? C8' C9' 1.377(17) . ? C9' C10' 1.392(18) . ? C9' H9' 0.9500 . ? C10' C11' 1.347(19) . ? C10' H10' 0.9500 . ? C11' C12' 1.391(19) . ? C11' H11' 0.9500 . ? C12' C13' 1.322(18) . ? C12' H12A 0.9900 . ? C12' H12B 0.9900 . ? C13' H13' 0.9500 . ? C14 C21 1.407(3) . ? C14 C17 1.422(3) . ? C15 C16 1.368(3) . ? C15 H15 0.9500 . ? C16 C17 1.430(3) . ? C16 H16 0.9500 . ? C17 C18 1.393(3) . ? C18 C19 1.387(3) . ? C18 H18 0.9500 . ? C19 C20 1.394(3) . ? C19 H19 0.9500 . ? C20 C21 1.398(3) . ? C20 H20 0.9500 . ? C21 C22 1.434(3) . ? C22 H22 0.9500 . ? C23 C24 1.533(3) . ? C23 H23A 0.9900 . ? C23 H23B 0.9900 . ? C24 C26 1.523(3) . ? C24 C25 1.535(3) . ? C24 C27 1.555(3) . ? C25 H25A 0.9800 . ? C25 H25B 0.9800 . ? C25 H25C 0.9800 . ? C26 H26A 0.9800 . ? C26 H26B 0.9800 . ? C26 H26C 0.9800 . ? C27 H27A 0.9900 . ? C27 H27B 0.9900 . ? C28 C35 1.401(3) . ? C28 C31 1.422(3) . ? C29 C30 1.368(3) . ? C29 H29 0.9500 . ? C30 C31 1.424(3) . ? C30 H30 0.9500 . ? C31 C32 1.405(3) . ? C32 C33 1.384(4) . ? C32 H32 0.9500 . ? C33 C34 1.387(3) . ? C33 H33 0.9500 . ? C34 C35 1.404(3) . ? C34 H34 0.9500 . ? C35 C36 1.444(3) . ? C36 H36 0.9500 . ? C37 H37A 0.9900 . ? C37 H37B 0.9900 . ?