#------------------------------------------------------------------------------ #$Date: 2019-12-13 10:29:03 +0200 (Fri, 13 Dec 2019) $ #$Revision: 245049 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/55/65/1556550.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_1556550 loop_ _publ_author_name 'Van de Watering, F.F.' 'Heijtbrink, N.' 'Van der Vlugt, J.I.' 'Dzik, W.I.' 'De Bruin, B.' 'Reek, J.N.H.' _publ_section_title ; 3-Methylindole-Based Tripodal Tetraphosphine Ruthenium Complexes in N2 Coordination and Reduction and Formic Acid Dehydrogenation ; _journal_name_full Inorganics _journal_page_first 73 _journal_paper_doi 10.3390/inorganics5040073 _journal_volume 5 _journal_year 2017 _chemical_formula_sum 'C65 H55 Cl6 N3 P4 Ru' _chemical_formula_weight 1315.77 _space_group_crystal_system monoclinic _space_group_IT_number 14 _space_group_name_Hall '-P 2yn' _space_group_name_H-M_alt 'P 1 21/n 1' _atom_sites_solution_hydrogens geom _cell_angle_alpha 90 _cell_angle_beta 91.012(2) _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 19.1879(9) _cell_length_b 18.1604(8) _cell_length_c 19.7879(9) _cell_measurement_reflns_used 133 _cell_measurement_temperature 150(2) _cell_measurement_theta_max 22.3389 _cell_measurement_theta_min 4.6154 _cell_volume 6894.2(5) _computing_structure_refinement 'SHELXL-2016/3 (Sheldrick, 2016)' _computing_structure_solution 'SHELXT 2014/4 (Sheldrick, 2014)' _diffrn_ambient_temperature 150(2) _diffrn_measured_fraction_theta_full 0.997 _diffrn_measured_fraction_theta_max 0.997 _diffrn_measurement_device_type 'Bruker D8 Quest ECO Photon 50' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0440 _diffrn_reflns_av_unetI/netI 0.0382 _diffrn_reflns_Laue_measured_fraction_full 0.997 _diffrn_reflns_Laue_measured_fraction_max 0.997 _diffrn_reflns_limit_h_max 22 _diffrn_reflns_limit_h_min -22 _diffrn_reflns_limit_k_max 21 _diffrn_reflns_limit_k_min -21 _diffrn_reflns_limit_l_max 23 _diffrn_reflns_limit_l_min -23 _diffrn_reflns_number 56511 _diffrn_reflns_point_group_measured_fraction_full 0.997 _diffrn_reflns_point_group_measured_fraction_max 0.997 _diffrn_reflns_theta_full 25.030 _diffrn_reflns_theta_max 25.030 _diffrn_reflns_theta_min 2.468 _diffrn_source 'sealed tube' _exptl_absorpt_coefficient_mu 0.591 _exptl_absorpt_correction_T_max 0.75 _exptl_absorpt_correction_T_min 0.60 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details 'SADABS V2014/5 (Bruker AXS Inc.)' _exptl_crystal_colour yellow _exptl_crystal_density_diffrn 1.268 _exptl_crystal_description block _exptl_crystal_F_000 2688 _exptl_crystal_size_max 0.483 _exptl_crystal_size_mid 0.340 _exptl_crystal_size_min 0.253 _refine_diff_density_max 3.100 _refine_diff_density_min -1.157 _refine_diff_density_rms 0.084 _refine_ls_extinction_coef . _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.134 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 715 _refine_ls_number_reflns 12141 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.134 _refine_ls_R_factor_all 0.0505 _refine_ls_R_factor_gt 0.0412 _refine_ls_shift/su_max 0.003 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.1000P)^2^] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1353 _refine_ls_wR_factor_ref 0.1435 _reflns_Friedel_coverage 0.000 _reflns_Friedel_fraction_full . _reflns_Friedel_fraction_max . _reflns_number_gt 10290 _reflns_number_total 12141 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file ff400_0m_a_sq.cif _cod_data_source_block ff400_0m_a_sq _cod_original_sg_symbol_H-M 'P 21/n' _cod_database_code 1556550 _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_res_file ; TITL FF400_0m_a.res in P2(1)/n ff400_0m_a_sq.res created by SHELXL-2016/3 at 17:40:01 on 13-Jul-2016 CELL 0.71073 19.1879 18.1604 19.7879 90.000 91.012 90.000 ZERR 4.000 0.0009 0.0008 0.0009 0.000 0.002 0.000 LATT 1 SYMM 1/2-X, 1/2+Y, 1/2-Z SFAC C H N P Cl Ru UNIT 260 220 12 16 24 4 LIST 6 ! automatically inserted. Change 6 to 4 for CHECKCIF!! LIST 6 ! automatically inserted. Change 6 to 4 for CHECKCIF!! LIST 4 ! automatically inserted. Change 6 to 4 for CHECKCIF!! L.S. 5 0 142 BOND $H FMAP 2 PLAN 20 ACTA OMIT -5 1 6 OMIT -5 2 8 OMIT -3 6 3 OMIT 4 3 4 TEMP -123.150 ABIN WGHT 0.100000 FVAR 0.19940 RU1 6 0.525672 0.713483 0.327502 11.00000 0.01126 0.01311 = 0.01348 0.00163 0.00183 -0.00043 CL1 5 0.442788 0.631478 0.386268 11.00000 0.01736 0.02072 = 0.02228 0.00689 0.00223 -0.00366 CL2 5 0.561516 0.607796 0.257604 11.00000 0.02052 0.01825 = 0.02093 -0.00367 0.00196 -0.00034 P4 4 0.592955 0.781907 0.269860 11.00000 0.01252 0.01457 = 0.01307 0.00050 0.00089 -0.00039 P1 4 0.443396 0.732037 0.241204 11.00000 0.01342 0.02024 = 0.01743 0.00290 -0.00044 -0.00329 P3 4 0.508697 0.815762 0.392983 11.00000 0.01352 0.01619 = 0.01511 0.00066 0.00197 0.00132 P2 4 0.635386 0.683570 0.381717 11.00000 0.01270 0.01514 = 0.01489 0.00168 0.00178 0.00151 CL4 5 0.394869 0.428936 0.345129 11.00000 0.03106 0.03794 = 0.05139 0.01066 0.00225 -0.00633 CL6 5 0.263596 -0.027599 0.061173 11.00000 0.04263 0.04074 = 0.04242 0.00699 0.01171 -0.00056 CL3 5 0.517321 0.396629 0.265516 11.00000 0.10473 0.04270 = 0.07887 0.00374 0.05691 0.01145 CL5 5 0.270178 0.135310 0.060408 11.00000 0.08187 0.05132 = 0.07301 -0.00615 0.00593 -0.00377 N1 3 0.556043 0.813613 0.196194 11.00000 0.01637 0.02132 = 0.01504 0.00427 0.00013 -0.00392 N2 3 0.669508 0.737736 0.254406 11.00000 0.01366 0.01775 = 0.01895 0.00089 0.00353 0.00080 N3 3 0.618899 0.856976 0.315216 11.00000 0.01352 0.01526 = 0.01677 0.00059 0.00100 -0.00165 C43 1 0.569037 0.884972 0.361390 11.00000 0.01367 0.01744 = 0.01882 -0.00062 0.00169 0.00187 C16 1 0.362657 0.783446 0.255471 11.00000 0.01418 0.02190 = 0.01967 0.00041 -0.00361 -0.00184 C9 1 0.575046 0.862183 0.144603 11.00000 0.01911 0.01991 = 0.01558 0.00514 0.00251 0.00068 C52 1 0.426468 0.865880 0.401254 11.00000 0.01754 0.02235 = 0.02135 -0.00459 -0.00392 0.00334 C44 1 0.586548 0.956452 0.378581 11.00000 0.01968 0.01837 = 0.02149 0.00016 -0.00036 0.00073 C30 1 0.722914 0.740376 0.207854 11.00000 0.01916 0.01426 = 0.02359 -0.00136 0.00988 -0.00347 C37 1 0.681553 0.730646 0.452220 11.00000 0.01121 0.01947 = 0.02044 -0.00132 -0.00150 0.00447 C23 1 0.765683 0.687961 0.306053 11.00000 0.01496 0.02000 = 0.02782 -0.00142 0.00314 -0.00119 C51 1 0.671004 0.910410 0.308226 11.00000 0.01772 0.01667 = 0.01645 0.00348 -0.00220 -0.00298 C32 1 0.679530 0.534211 0.371689 11.00000 0.02263 0.02180 = 0.01986 0.00353 0.00442 0.00216 AFIX 43 H32 2 0.710185 0.549113 0.337078 11.00000 -1.20000 AFIX 0 C46 1 0.650973 0.972320 0.345457 11.00000 0.02109 0.01789 = 0.02290 0.00312 -0.00225 -0.00333 C50 1 0.735715 0.906471 0.278008 11.00000 0.02074 0.02051 = 0.01948 0.00238 0.00062 -0.00405 AFIX 43 H50 2 0.750385 0.863169 0.255385 11.00000 -1.20000 AFIX 0 C38 1 0.681533 0.702989 0.518259 11.00000 0.02367 0.02093 = 0.02326 0.00043 0.00041 0.00703 AFIX 43 H38 2 0.658119 0.658164 0.527718 11.00000 -1.20000 AFIX 0 C31 1 0.638768 0.586292 0.404311 11.00000 0.01275 0.01766 = 0.01616 0.00101 -0.00251 0.00031 C21 1 0.338326 0.840559 0.214783 11.00000 0.02699 0.02781 = 0.02308 0.00431 -0.00280 -0.00193 AFIX 43 H21 2 0.366188 0.858389 0.179103 11.00000 -1.20000 AFIX 0 C63 1 0.505192 0.740339 0.514238 11.00000 0.01997 0.02439 = 0.02175 0.00267 0.00314 0.00690 AFIX 43 H63 2 0.480784 0.704423 0.488161 11.00000 -1.20000 AFIX 0 C8 1 0.630943 0.910709 0.139852 11.00000 0.01844 0.02603 = 0.02023 0.00386 0.00093 -0.00248 AFIX 43 H8 2 0.664998 0.914504 0.175114 11.00000 -1.20000 AFIX 0 C1 1 0.489652 0.782808 0.176806 11.00000 0.01658 0.02514 = 0.01822 0.00192 -0.00277 -0.00411 C35 1 0.590755 0.489617 0.472931 11.00000 0.01498 0.02575 = 0.02463 0.00773 0.00078 -0.00296 AFIX 43 H35 2 0.560663 0.474299 0.507857 11.00000 -1.20000 AFIX 0 C36 1 0.593713 0.563244 0.454681 11.00000 0.01462 0.02481 = 0.01972 0.00127 -0.00071 0.00158 AFIX 43 H36 2 0.564941 0.598146 0.476565 11.00000 -1.20000 AFIX 0 C57 1 0.381293 0.849218 0.453362 11.00000 0.01517 0.05068 = 0.02684 -0.00435 0.00277 0.00655 AFIX 43 H57 2 0.391869 0.809502 0.483059 11.00000 -1.20000 AFIX 0 C58 1 0.530956 0.803238 0.483434 11.00000 0.01492 0.02265 = 0.01599 -0.00024 0.00351 0.00882 C53 1 0.409414 0.923268 0.357794 11.00000 0.02864 0.02434 = 0.04067 0.00167 -0.00968 -0.00046 AFIX 43 H53 2 0.438464 0.934712 0.320858 11.00000 -1.20000 AFIX 0 C22 1 0.696652 0.701680 0.313604 11.00000 0.02094 0.01526 = 0.01607 0.00083 0.00209 0.00018 C10 1 0.410601 0.649707 0.197341 11.00000 0.01691 0.02119 = 0.02364 0.00284 -0.00770 -0.00289 C42 1 0.717155 0.795801 0.439802 11.00000 0.02033 0.02476 = 0.02440 0.00091 -0.00293 0.00130 AFIX 43 H42 2 0.718190 0.814978 0.395164 11.00000 -1.20000 AFIX 0 C25 1 0.783256 0.711999 0.239253 11.00000 0.01963 0.01681 = 0.02949 -0.00033 0.00538 0.00071 C62 1 0.515315 0.730125 0.583666 11.00000 0.02732 0.03650 = 0.02114 0.01040 0.00705 0.00907 AFIX 43 H62 2 0.497744 0.687126 0.604752 11.00000 -1.20000 AFIX 0 C34 1 0.631395 0.438758 0.440460 11.00000 0.02593 0.01461 = 0.02960 0.00526 -0.00273 0.00033 AFIX 43 H34 2 0.629224 0.388319 0.452979 11.00000 -1.20000 AFIX 0 C4 1 0.524124 0.857359 0.093042 11.00000 0.01716 0.03252 = 0.02099 0.00624 0.00004 -0.00249 C17 1 0.323002 0.761449 0.310318 11.00000 0.02109 0.02767 = 0.02508 0.00760 -0.00259 -0.00258 AFIX 43 H17 2 0.340711 0.725251 0.340729 11.00000 -1.20000 AFIX 0 C15 1 0.355731 0.609382 0.224304 11.00000 0.02990 0.02480 = 0.02569 0.00328 -0.00251 -0.00504 AFIX 43 H15 2 0.333242 0.626706 0.263627 11.00000 -1.20000 AFIX 0 C2 1 0.471157 0.807449 0.113584 11.00000 0.02310 0.03407 = 0.02016 0.00624 -0.00115 -0.00473 C49 1 0.777863 0.968011 0.282168 11.00000 0.02145 0.02943 = 0.02505 0.00386 -0.00030 -0.00731 AFIX 43 H49 2 0.822378 0.966711 0.261934 11.00000 -1.20000 AFIX 0 C14 1 0.334008 0.544922 0.194477 11.00000 0.03258 0.02959 = 0.04496 0.00616 -0.00816 -0.01168 AFIX 43 H14 2 0.297265 0.517378 0.213769 11.00000 -1.20000 AFIX 0 C40 1 0.749978 0.806080 0.556958 11.00000 0.02205 0.03605 = 0.03231 -0.01158 -0.01091 0.00797 AFIX 43 H40 2 0.772646 0.832137 0.592702 11.00000 -1.20000 AFIX 0 C33 1 0.675321 0.460687 0.389762 11.00000 0.02719 0.01853 = 0.02693 -0.00379 0.00303 0.00512 AFIX 43 H33 2 0.702803 0.425172 0.367154 11.00000 -1.20000 AFIX 0 C59 1 0.568303 0.854922 0.521642 11.00000 0.02193 0.02403 = 0.02077 -0.00031 -0.00215 0.00886 AFIX 43 H59 2 0.587014 0.897504 0.500785 11.00000 -1.20000 AFIX 0 C20 1 0.273922 0.871508 0.225923 11.00000 0.02773 0.03089 = 0.03122 0.00440 -0.00651 0.01082 AFIX 43 H20 2 0.257401 0.910192 0.197571 11.00000 -1.20000 AFIX 0 C39 1 0.715670 0.740961 0.569929 11.00000 0.02749 0.04051 = 0.02353 0.00013 -0.00648 0.01303 AFIX 43 H39 2 0.715412 0.721938 0.614646 11.00000 -1.20000 AFIX 0 C29 1 0.721700 0.761886 0.139772 11.00000 0.02943 0.02426 = 0.02504 0.00255 0.00733 -0.00040 AFIX 43 H29 2 0.680144 0.778917 0.118148 11.00000 -1.20000 AFIX 0 C48 1 0.757201 1.031632 0.314971 11.00000 0.03107 0.02243 = 0.03466 0.00300 0.00020 -0.01416 AFIX 43 H48 2 0.786493 1.073798 0.314568 11.00000 -1.20000 AFIX 0 C18 1 0.258113 0.792003 0.320671 11.00000 0.02279 0.03512 = 0.03227 0.00526 0.00627 0.00586 AFIX 43 H18 2 0.230521 0.775507 0.357077 11.00000 -1.20000 AFIX 0 C19 1 0.233474 0.846628 0.277909 11.00000 0.02351 0.03465 = 0.03661 -0.00124 0.00029 0.00908 AFIX 43 H19 2 0.188507 0.867047 0.284420 11.00000 -1.20000 AFIX 0 C47 1 0.694515 1.034486 0.348254 11.00000 0.03429 0.01601 = 0.03564 0.00008 0.00059 -0.00367 AFIX 43 H47 2 0.681235 1.077334 0.372372 11.00000 -1.20000 AFIX 0 C41 1 0.751225 0.833148 0.491969 11.00000 0.02148 0.02803 = 0.03975 -0.00354 -0.00515 -0.00354 AFIX 43 H41 2 0.775483 0.877538 0.482789 11.00000 -1.20000 AFIX 0 C24 1 0.815368 0.654204 0.355668 11.00000 0.02028 0.03847 = 0.04124 0.00821 0.00042 0.00518 AFIX 137 H24A 2 0.790605 0.641326 0.396918 11.00000 -1.50000 H24B 2 0.852594 0.689400 0.366640 11.00000 -1.50000 H24C 2 0.835618 0.609659 0.336114 11.00000 -1.50000 AFIX 0 C45 1 0.549734 1.009547 0.422560 11.00000 0.03190 0.01921 = 0.03573 -0.00581 0.00499 -0.00009 AFIX 137 H45A 2 0.506938 0.986899 0.439122 11.00000 -1.50000 H45B 2 0.537937 1.053884 0.396546 11.00000 -1.50000 H45C 2 0.580047 1.022878 0.461018 11.00000 -1.50000 AFIX 0 C61 1 0.550416 0.781717 0.621534 11.00000 0.03150 0.04560 = 0.01798 0.00207 -0.00056 0.01420 AFIX 43 H61 2 0.555970 0.775227 0.668962 11.00000 -1.20000 AFIX 0 C13 1 0.365495 0.519854 0.136285 11.00000 0.03880 0.03022 = 0.05107 -0.01153 -0.01573 -0.00500 AFIX 43 H13 2 0.350346 0.475303 0.115594 11.00000 -1.20000 AFIX 0 C7 1 0.635207 0.953255 0.081970 11.00000 0.02800 0.02866 = 0.02774 0.00596 0.00519 -0.00543 AFIX 43 H7 2 0.673088 0.986471 0.077443 11.00000 -1.20000 AFIX 0 C11 1 0.441440 0.624010 0.139186 11.00000 0.02858 0.04322 = 0.03150 -0.01019 0.00220 -0.00750 AFIX 43 H11 2 0.478698 0.650693 0.119815 11.00000 -1.20000 AFIX 0 C60 1 0.577761 0.843292 0.590567 11.00000 0.02800 0.03571 = 0.02919 -0.00762 -0.00688 0.01244 AFIX 43 H60 2 0.603378 0.878128 0.616811 11.00000 -1.20000 AFIX 0 C5 1 0.529953 0.901283 0.034624 11.00000 0.02815 0.04247 = 0.01985 0.01088 -0.00487 -0.00276 AFIX 43 H5 2 0.496180 0.898161 -0.000947 11.00000 -1.20000 AFIX 0 C54 1 0.348570 0.964317 0.369089 11.00000 0.03452 0.02522 = 0.07549 -0.00379 -0.02541 0.01193 AFIX 43 H54 2 0.337095 1.004271 0.339969 11.00000 -1.20000 AFIX 0 C6 1 0.585235 0.948449 0.030271 11.00000 0.03236 0.04280 = 0.02066 0.01671 0.00499 -0.00067 AFIX 43 H6 2 0.589631 0.978483 -0.008730 11.00000 -1.20000 AFIX 0 C28 1 0.783177 0.757213 0.105886 11.00000 0.04103 0.02633 = 0.02799 0.00195 0.01999 -0.00143 AFIX 43 H28 2 0.784015 0.771538 0.059733 11.00000 -1.20000 AFIX 0 C56 1 0.321015 0.889934 0.462427 11.00000 0.02154 0.08329 = 0.03521 -0.02508 -0.00321 0.01420 AFIX 43 H56 2 0.290141 0.877477 0.497650 11.00000 -1.20000 AFIX 0 C12 1 0.417993 0.559276 0.109113 11.00000 0.04313 0.05103 = 0.03931 -0.02412 0.00101 -0.00721 AFIX 43 H12 2 0.439081 0.542391 0.068894 11.00000 -1.20000 AFIX 0 C64 1 0.472537 0.463833 0.311507 11.00000 0.03273 0.03203 = 0.04382 -0.00220 0.00469 -0.00146 AFIX 23 H64A 2 0.461409 0.506033 0.281539 11.00000 -1.20000 H64B 2 0.502986 0.481947 0.348841 11.00000 -1.20000 AFIX 0 C27 1 0.844947 0.731993 0.137017 11.00000 0.02878 0.03130 = 0.04014 -0.00218 0.02008 -0.00490 AFIX 43 H27 2 0.886823 0.730546 0.112146 11.00000 -1.20000 AFIX 0 C3 1 0.408922 0.788194 0.070517 11.00000 0.02609 0.05721 = 0.02467 0.01214 -0.00899 -0.01368 AFIX 137 H3A 2 0.376732 0.758083 0.096707 11.00000 -1.50000 H3B 2 0.423929 0.760448 0.030866 11.00000 -1.50000 H3C 2 0.385341 0.833440 0.055769 11.00000 -1.50000 AFIX 0 C26 1 0.845202 0.709549 0.202771 11.00000 0.01903 0.02681 = 0.04108 -0.00280 0.00788 0.00001 AFIX 43 H26 2 0.887057 0.692370 0.223725 11.00000 -1.20000 AFIX 0 C55 1 0.306112 0.947739 0.420842 11.00000 0.02324 0.06468 = 0.06587 -0.03508 -0.01101 0.02329 AFIX 43 H55 2 0.265669 0.976627 0.428181 11.00000 -1.20000 AFIX 0 C65 1 0.230412 0.056489 0.092317 11.00000 0.04207 0.04574 = 0.05150 -0.00099 -0.00393 0.00366 AFIX 23 H65A 2 0.179903 0.058842 0.081434 11.00000 -1.20000 H65B 2 0.235817 0.056704 0.142164 11.00000 -1.20000 AFIX 0 HKLF 4 REM FF400_0m_a.res in P2(1)/n REM R1 = 0.0412 for 10290 Fo > 4sig(Fo) and 0.0505 for all 12141 data REM 715 parameters refined using 0 restraints END WGHT 0.0607 12.4291 REM Highest difference peak 3.100, deepest hole -1.157, 1-sigma level 0.084 Q1 1 0.2820 0.0865 0.1477 11.00000 0.05 3.10 Q2 1 0.4795 0.3842 0.2612 11.00000 0.05 0.62 Q3 1 0.5731 0.7190 0.3454 11.00000 0.05 0.52 Q4 1 0.5046 0.7648 0.3576 11.00000 0.05 0.44 Q5 1 0.4809 0.7149 0.3097 11.00000 0.05 0.44 Q6 1 0.5424 0.7652 0.2986 11.00000 0.05 0.43 Q7 1 0.3015 -0.0137 0.0834 11.00000 0.05 0.38 Q8 1 0.5130 0.4216 0.2381 11.00000 0.05 0.36 Q9 1 0.3551 0.9626 0.3448 11.00000 0.05 0.35 Q10 1 0.5345 0.8016 0.1980 11.00000 0.05 0.35 Q11 1 0.2549 0.0583 0.0551 11.00000 0.05 0.34 Q12 1 0.5028 0.6607 0.3607 11.00000 0.05 0.34 Q13 1 0.5362 0.8619 0.3711 11.00000 0.05 0.34 Q14 1 0.5459 0.6605 0.2892 11.00000 0.05 0.33 Q15 1 0.5822 0.9233 0.3765 11.00000 0.05 0.32 Q16 1 0.2897 0.7615 0.2994 11.00000 0.05 0.32 Q17 1 0.5328 0.3785 0.2607 11.00000 0.05 0.31 Q18 1 0.6783 1.0037 0.3575 11.00000 0.05 0.31 Q19 1 0.3776 0.6458 0.1999 11.00000 0.05 0.31 Q20 1 0.4784 0.7878 0.1322 11.00000 0.05 0.31 ; _shelx_res_checksum 64651 _shelx_hkl_file ; 3 0 0 1.10 1.40 -3 0 0 0.40 1.30 4 0 0 1025.80 52.79 4 0 0 1096.09 52.99 -4 0 0 1057.29 52.89 -4 0 0 1058.39 52.89 5 0 0 0.00 1.50 -5 0 0 -2.40 1.30 -6 0 0 522.85 26.80 6 0 0 535.75 26.80 7 0 0 -2.00 1.60 -7 0 0 0.20 1.50 8 0 0 445.96 23.20 -8 0 0 450.95 23.20 -9 0 0 0.70 2.30 9 0 0 -3.10 2.30 10 0 0 18.40 3.40 -10 0 0 17.20 3.20 -11 0 0 0.70 2.50 11 0 0 4.10 2.70 12 0 0 188.18 11.60 -12 0 0 183.88 11.70 -13 0 0 -0.90 2.90 13 0 0 1.90 3.10 -14 0 0 3.30 3.30 14 0 0 3.30 3.60 -15 0 0 0.00 3.60 15 0 0 3.70 4.00 16 0 0 21.00 5.10 -16 0 0 25.60 5.20 -17 0 0 -2.40 4.10 17 0 0 -1.70 4.60 18 0 0 30.00 6.30 -18 0 0 39.00 6.50 -19 0 0 -2.80 5.10 19 0 0 -0.30 5.30 -20 0 0 130.19 13.10 20 0 0 158.18 13.60 -21 0 0 -12.60 5.40 21 0 0 1.10 6.20 22 0 0 5.40 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7 10 0 578.74 30.30 -7 10 0 582.14 30.30 8 -10 0 85.09 7.40 -8 -10 0 82.19 7.50 8 -10 0 72.49 7.40 8 10 0 73.69 7.10 -8 10 0 87.39 7.20 -8 10 0 78.99 6.90 9 -10 0 518.85 27.80 -9 -10 0 522.75 27.70 9 -10 0 522.05 27.60 9 10 0 513.15 27.50 -9 10 0 516.95 27.30 -9 10 0 504.95 27.30 -10 -10 0 41.70 5.80 10 -10 0 47.50 5.50 10 -10 0 54.09 6.00 -10 10 0 58.29 6.50 10 10 0 48.30 5.60 -10 10 0 52.79 6.50 -11 -10 0 184.18 12.70 11 -10 0 197.48 12.60 11 -10 0 194.28 13.00 -11 10 0 190.08 12.50 -11 10 0 190.08 12.20 11 10 0 188.78 12.50 -12 -10 0 61.59 8.20 12 -10 0 77.39 8.40 12 -10 0 69.89 8.10 12 10 0 76.19 8.20 -12 10 0 83.59 8.00 -12 10 0 74.69 7.70 13 -10 0 504.85 28.40 13 -10 0 512.15 28.60 -13 -10 0 517.35 28.60 -13 10 0 526.85 28.10 13 10 0 522.85 28.30 -13 10 0 516.55 28.00 -14 -10 0 6.40 4.50 14 -10 0 4.40 4.60 14 -10 0 9.10 4.80 14 10 0 3.40 4.20 -14 10 0 7.90 4.20 -14 10 0 0.90 4.20 -15 -10 0 53.19 6.90 15 -10 0 56.99 7.30 15 -10 0 52.99 7.20 15 10 0 44.90 6.30 -15 10 0 53.29 6.70 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15 -2 28.30 4.50 6 -15 -2 0.80 8.20 -6 -15 2 8.90 4.00 6 15 -2 16.10 3.90 -6 15 2 20.00 5.80 -5 -15 2 67.89 7.90 -5 15 2 66.69 8.20 5 15 -2 76.39 7.50 -4 -15 2 5.60 3.70 -4 15 2 1.60 4.80 4 15 -2 -2.00 3.10 -3 -15 2 13.60 4.20 3 -15 -2 20.50 6.10 3 15 -2 14.70 3.90 -3 15 2 17.60 5.30 2 -15 -2 -0.90 5.30 -2 -15 2 -1.40 3.40 2 15 -2 -0.80 3.20 -2 15 2 5.40 3.90 1 -15 -2 46.00 6.20 -1 -15 2 47.70 5.80 1 15 -2 46.70 5.20 -1 15 2 54.89 7.10 0 -15 2 21.20 4.50 0 -15 -2 20.40 5.00 0 15 -2 24.90 3.90 0 15 2 22.30 4.30 -1 -15 -2 15.40 4.60 1 -15 2 16.80 4.40 1 15 2 23.60 4.40 -1 15 -2 15.70 3.90 -2 -15 -2 91.19 9.30 2 -15 2 94.09 8.90 2 15 2 112.29 9.00 -2 15 -2 95.89 8.30 -3 -15 -2 3.00 4.10 3 -15 2 3.10 3.80 -3 15 -2 0.60 3.30 3 15 2 -1.90 3.50 -4 -15 -2 245.78 15.50 4 -15 2 234.18 15.30 4 15 2 237.38 14.90 -4 15 -2 240.38 14.70 5 -15 2 -4.40 4.00 -5 -15 -2 2.70 4.20 5 15 2 2.00 3.60 -5 15 -2 1.70 3.50 -6 -15 -2 19.20 4.90 6 -15 2 19.00 4.90 6 15 2 8.60 4.10 -6 15 -2 11.10 4.10 7 -15 2 77.29 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5.30 15 13 -3 12.80 4.70 14 -13 -3 -6.00 5.30 14 -13 -3 8.80 6.20 -14 -13 3 8.90 4.70 -14 13 3 2.50 5.00 -14 13 3 -1.50 5.30 14 13 -3 -0.50 4.20 13 -13 -3 261.27 17.20 13 -13 -3 251.07 16.80 -13 -13 3 242.38 15.90 -13 13 3 257.67 16.60 -13 13 3 241.68 16.00 13 13 -3 233.18 15.60 12 -13 -3 5.80 5.10 12 -13 -3 17.70 5.30 -12 -13 3 -0.20 4.00 -12 13 3 2.40 4.70 12 13 -3 3.80 4.00 -12 13 3 -3.40 4.30 -11 -13 3 525.15 29.30 11 -13 -3 543.25 30.20 11 -13 -3 541.55 29.70 -11 13 3 564.34 29.40 -11 13 3 542.35 29.60 11 13 -3 527.25 29.00 -10 -13 3 14.60 4.30 10 -13 -3 16.10 4.70 10 -13 -3 11.60 4.80 -10 13 3 9.00 4.30 -10 13 3 16.60 4.70 10 13 -3 18.80 4.20 9 -13 -3 951.40 49.90 9 -13 -3 1001.40 49.50 -9 -13 3 941.71 49.20 -9 13 3 961.50 49.30 -9 13 3 946.21 49.90 9 13 -3 941.61 48.90 8 -13 -3 12.00 4.20 -8 -13 3 18.20 3.90 8 -13 -3 12.40 4.70 8 13 -3 16.70 3.80 -8 13 3 10.90 3.70 -8 13 3 10.30 4.20 7 -13 -3 710.63 37.80 7 -13 -3 721.13 37.20 -7 -13 3 714.83 37.10 -7 13 3 706.33 37.20 7 13 -3 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47.20 5.80 -9 12 4 51.49 6.90 9 12 -4 42.30 5.00 -8 -12 4 685.53 31.80 8 -12 -4 590.74 32.50 8 -12 -4 617.44 32.20 -8 -12 4 582.44 31.60 -8 12 4 596.44 31.90 8 12 -4 567.34 31.30 -8 12 4 583.44 31.80 7 -12 -4 55.49 7.20 -7 -12 4 74.49 7.60 -7 -12 4 68.69 6.60 7 -12 -4 55.59 7.80 -7 12 4 70.69 7.30 7 12 -4 65.39 6.30 -7 12 4 74.89 6.90 -6 -12 4 5.30 3.60 6 -12 -4 1.90 3.50 -6 -12 4 2.00 2.90 6 -12 -4 3.70 3.40 -6 12 4 4.20 3.30 6 12 -4 4.60 2.70 5 -12 -4 560.94 30.50 -5 -12 4 541.45 29.70 5 -12 -4 587.14 30.10 -5 -12 4 636.74 30.70 5 12 -4 534.55 29.40 -5 12 4 564.84 30.00 -5 12 4 565.74 29.90 4 -12 -4 4.00 3.40 4 -12 -4 0.70 3.30 -4 12 4 6.40 3.00 -4 12 4 5.30 3.10 3 -12 -4 315.37 17.50 3 -12 -4 324.97 18.00 -3 -12 4 298.77 17.10 3 12 -4 293.27 16.70 -3 12 4 299.87 17.20 -3 12 4 309.77 17.20 -2 -12 4 35.60 4.30 2 -12 -4 47.40 6.10 2 -12 -4 41.50 5.10 -2 12 4 51.29 5.90 2 12 -4 39.70 4.70 -2 12 4 37.60 4.70 1 -12 -4 12.30 3.70 -1 -12 4 9.30 3.00 1 -12 -4 9.50 3.90 -1 12 4 12.90 4.00 -1 12 4 8.90 3.10 1 12 -4 8.70 2.70 0 -12 4 16.50 3.20 0 -12 -4 12.00 3.70 0 12 -4 14.60 2.90 0 12 4 12.30 3.30 1 -12 4 30.60 4.10 -1 -12 -4 28.20 4.50 -1 12 -4 31.10 3.70 1 12 4 31.00 4.30 -2 -12 -4 602.34 32.40 2 -12 4 603.74 31.90 2 12 4 613.54 32.00 -2 12 -4 626.64 31.50 -3 -12 -4 80.09 7.70 3 -12 4 78.49 7.30 -3 12 -4 73.19 6.50 3 12 4 78.29 7.20 -4 -12 -4 481.15 26.60 4 -12 4 493.75 26.20 -4 12 -4 488.85 25.70 4 12 4 488.15 26.20 5 -12 4 28.10 4.50 -5 -12 -4 28.40 4.70 -5 12 -4 25.40 3.90 5 12 4 20.50 4.30 -6 -12 -4 84.59 8.50 6 -12 4 73.89 10.00 6 12 4 85.49 7.90 -7 -12 -4 39.90 5.70 7 -12 4 41.00 8.60 7 12 4 55.59 6.10 8 -12 4 21.00 4.90 -8 -12 -4 15.50 5.80 8 12 4 23.50 7.40 -8 12 -4 20.30 4.10 -9 -12 -4 224.68 15.30 9 -12 4 230.28 14.90 -9 12 -4 231.08 14.10 9 12 4 230.48 14.80 10 -12 4 14.30 4.90 -10 -12 -4 18.70 4.90 10 12 4 9.60 4.60 -10 12 -4 15.50 4.30 11 -12 4 172.88 13.40 -11 -12 -4 184.58 13.30 -11 12 -4 179.08 12.50 11 12 4 179.88 13.20 -12 -12 -4 363.46 21.90 12 -12 4 344.67 21.60 -12 12 -4 367.46 21.10 12 12 4 367.86 21.50 13 -12 4 4.20 5.00 -13 -12 -4 1.70 4.90 -13 12 -4 8.10 4.70 13 12 4 5.50 4.60 14 -12 4 1.10 5.10 -14 -12 -4 -0.70 4.90 -14 12 -4 -4.00 4.70 14 12 4 9.00 5.00 -15 -12 -4 9.90 5.40 15 -12 4 12.30 5.60 -15 12 -4 12.30 5.50 15 12 4 6.40 5.20 -16 -12 -4 202.88 15.80 16 -12 4 208.38 15.70 -16 12 -4 206.18 15.40 16 12 4 198.88 15.60 17 -12 4 25.00 6.60 -17 -12 -4 32.40 6.90 17 12 4 30.00 7.00 -17 12 -4 23.10 6.50 18 -12 4 1.00 6.80 -18 -12 -4 5.20 6.20 -18 12 -4 -0.60 6.30 18 12 4 4.10 6.60 17 -13 -4 98.49 13.90 -17 -13 4 71.09 8.60 17 13 -4 63.89 8.00 -16 -13 4 98.19 10.20 16 -13 -4 72.79 10.10 -16 13 4 104.49 11.70 16 13 -4 71.39 8.10 15 -13 -4 -1.20 6.70 -15 -13 4 10.90 4.70 -15 13 4 -6.00 5.70 15 13 -4 -8.40 3.90 -15 13 4 -7.80 5.30 -14 -13 4 47.50 6.20 14 -13 -4 59.69 7.90 14 -13 -4 35.40 7.20 -14 13 4 54.89 6.90 14 13 -4 37.30 5.80 -14 13 4 41.00 7.10 13 -13 -4 21.30 6.10 13 -13 -4 17.60 5.80 -13 -13 4 19.80 4.90 -13 13 4 20.70 5.80 13 13 -4 15.70 4.50 -13 13 4 24.60 5.40 -12 -13 4 11.20 4.20 12 -13 -4 25.50 5.80 12 -13 -4 20.40 5.60 -12 13 4 6.80 5.00 12 13 -4 8.20 4.00 -12 13 4 28.00 5.10 11 -13 -4 89.79 10.10 -11 -13 4 83.39 8.50 11 -13 -4 81.19 10.10 -11 13 4 98.59 9.30 11 13 -4 81.39 8.20 -11 13 4 111.19 9.70 -10 -13 4 87.19 8.50 10 -13 -4 97.59 9.90 10 -13 -4 97.69 10.00 -10 13 4 91.89 9.10 10 13 -4 95.29 8.30 -10 13 4 112.89 9.60 9 -13 -4 35.20 5.60 -9 -13 4 42.80 7.30 9 -13 -4 45.30 6.10 -9 -13 4 39.20 5.20 -9 13 4 47.60 5.70 9 13 -4 31.50 4.60 -9 13 4 49.10 5.70 8 -13 -4 142.09 10.80 8 -13 -4 126.09 11.00 -8 -13 4 141.29 11.60 -8 -13 4 128.09 9.70 8 13 -4 127.59 9.30 -8 13 4 128.19 10.20 -8 13 4 126.19 10.10 7 -13 -4 25.90 4.90 -7 -13 4 27.50 5.40 7 -13 -4 23.70 4.90 -7 -13 4 30.40 4.50 7 13 -4 25.50 4.00 -7 13 4 31.30 4.40 -7 13 4 34.90 5.00 -6 -13 4 417.26 22.00 -6 -13 4 340.87 19.90 6 -13 -4 343.47 20.90 -6 13 4 355.96 20.40 6 13 -4 358.26 19.70 5 -13 -4 28.80 4.60 5 -13 -4 28.50 5.10 -5 -13 4 22.90 3.90 -5 13 4 24.30 4.40 5 13 -4 26.10 3.80 -5 13 4 37.20 4.60 4 -13 -4 4.60 3.80 -4 -13 4 0.80 3.00 4 -13 -4 1.10 3.50 4 13 -4 0.30 2.60 -4 13 4 8.90 3.50 -4 13 4 3.30 3.30 3 -13 -4 92.69 8.40 3 -13 -4 88.89 8.70 -3 -13 4 93.99 7.40 -3 13 4 88.19 7.90 3 13 -4 79.29 6.70 -3 13 4 90.29 8.00 -2 -13 4 383.26 21.40 2 -13 -4 409.76 22.00 2 -13 -4 395.96 22.30 -2 13 4 385.46 21.70 -2 13 4 414.46 21.90 2 13 -4 388.16 21.10 1 -13 -4 111.79 9.00 1 -13 -4 100.79 12.60 -1 -13 4 100.49 8.10 1 13 -4 99.69 7.40 -1 13 4 99.29 8.20 0 -13 -4 98.89 8.90 0 -13 4 99.39 8.20 0 13 -4 106.19 7.40 0 13 4 110.99 8.50 -1 -13 -4 29.40 4.90 1 -13 4 27.30 4.50 -1 13 -4 29.00 4.00 1 13 4 36.80 4.70 -2 -13 -4 1015.60 52.29 2 -13 4 1014.30 51.79 2 13 4 1033.00 51.79 -2 13 -4 997.50 51.29 3 -13 4 1.00 3.40 -3 -13 -4 4.90 3.90 3 13 4 1.20 3.40 -3 13 -4 -0.50 2.80 4 -13 4 30.30 4.80 -4 -13 -4 38.70 5.50 4 13 4 37.10 5.20 -4 13 -4 37.50 4.50 5 -13 4 5.50 3.70 -5 -13 -4 0.50 3.90 5 13 4 3.30 3.80 -5 13 -4 3.80 3.10 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18.10 6.00 16 14 -4 13.30 5.50 -15 -14 4 1.00 4.80 15 14 -4 6.40 4.70 14 -14 -4 326.17 21.40 14 -14 -4 344.57 21.70 -14 -14 4 317.87 19.90 14 14 -4 307.97 19.70 -14 14 4 369.06 21.30 13 -14 -4 -3.30 5.90 -13 -14 4 -0.40 4.10 13 -14 -4 -2.90 5.60 -13 14 4 -5.70 5.50 13 14 -4 3.20 4.00 -13 14 4 -10.20 4.80 12 -14 -4 204.18 14.70 12 -14 -4 197.88 14.50 -12 -14 4 167.18 12.70 -12 14 4 179.98 13.80 12 14 -4 159.28 12.40 -12 14 4 201.68 13.20 -11 -14 4 41.20 5.70 11 -14 -4 47.70 6.80 11 -14 -4 42.70 7.00 -11 14 4 44.00 6.10 11 14 -4 56.19 6.80 -11 14 4 32.20 6.30 -10 -14 4 496.55 27.80 10 -14 -4 502.45 28.80 10 -14 -4 526.45 28.60 -10 14 4 510.25 28.30 -10 14 4 529.15 28.00 10 14 -4 499.65 27.40 -9 -14 4 32.00 4.80 9 -14 -4 41.80 6.00 9 -14 -4 27.60 5.90 9 14 -4 30.70 4.50 -9 14 4 26.10 5.40 -9 14 4 21.20 4.70 -8 -14 4 378.66 21.10 8 -14 -4 380.26 21.60 -8 -14 4 441.26 23.80 8 -14 -4 366.36 22.20 -8 14 4 369.56 21.20 -8 14 4 352.46 21.30 8 14 -4 354.56 20.60 7 -14 -4 77.29 9.40 -7 -14 4 89.99 8.00 7 -14 -4 84.99 9.30 7 14 -4 95.99 7.70 -7 14 4 83.69 8.30 -7 14 4 97.29 9.30 6 -14 -4 416.36 24.10 -6 -14 4 400.46 23.00 -6 14 4 438.36 23.10 -6 14 4 430.66 23.60 6 14 -4 414.46 22.70 5 -14 -4 98.49 9.90 -5 -14 4 113.09 8.50 5 -14 -4 106.19 9.30 5 14 -4 105.39 7.90 -5 14 4 87.49 9.00 -4 -14 4 29.00 4.40 4 -14 -4 29.20 5.20 4 -14 -4 25.90 5.00 4 14 -4 26.90 3.90 -4 14 4 30.50 4.60 -4 14 4 28.80 4.80 3 -14 -4 165.88 11.50 -3 -14 4 164.68 10.70 3 -14 -4 154.88 11.90 3 14 -4 147.19 10.10 -3 14 4 148.39 11.10 -3 14 4 163.78 11.00 2 -14 -4 212.28 14.60 2 -14 -4 235.58 14.70 -2 -14 4 220.78 13.50 2 14 -4 218.78 13.10 -2 14 4 217.18 14.00 -2 14 4 231.48 15.80 -1 -14 4 41.20 5.20 1 -14 -4 48.90 6.20 1 14 -4 44.50 5.50 -1 14 4 52.19 5.70 0 -14 -4 39.30 5.90 0 -14 4 41.10 5.00 0 14 4 34.40 5.00 0 14 -4 39.80 5.20 1 -14 4 186.48 12.70 -1 -14 -4 191.78 13.40 -1 14 -4 199.48 12.10 1 14 4 206.78 12.90 2 -14 4 396.96 22.40 -2 -14 -4 398.56 23.00 2 14 4 408.36 22.50 -2 14 -4 407.86 21.90 3 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33.20 7.10 16 -14 4 77.19 9.30 -16 -14 -4 78.89 9.50 16 14 4 63.79 8.60 -16 14 -4 66.89 8.40 -16 -15 4 115.89 12.70 16 15 -4 111.09 12.20 -15 -15 4 3.90 5.30 15 15 -4 3.00 4.80 -14 -15 4 91.59 10.50 14 -15 -4 83.79 12.00 14 15 -4 118.69 10.20 -14 15 4 120.09 13.20 -13 -15 4 5.80 4.60 13 -15 -4 -8.70 6.20 -13 15 4 1.40 6.10 13 15 -4 1.20 4.10 -12 -15 4 2.10 4.20 12 -15 -4 3.30 6.20 12 15 -4 4.20 4.00 -12 15 4 -3.00 5.60 11 -15 -4 158.08 13.40 11 -15 -4 179.78 13.90 -11 -15 4 152.08 11.70 11 15 -4 162.78 11.40 -11 15 4 152.78 13.30 10 -15 -4 -6.60 5.40 10 -15 -4 5.00 5.60 -10 -15 4 0.70 3.60 10 15 -4 -1.00 3.60 -10 15 4 -1.70 5.10 -10 15 4 -6.60 4.20 9 -15 -4 79.39 10.30 9 -15 -4 84.69 10.50 -9 -15 4 90.69 8.40 9 15 -4 72.29 7.70 -9 15 4 77.39 8.50 -9 15 4 81.69 9.80 8 -15 -4 71.29 8.30 -8 -15 4 72.49 7.80 8 -15 -4 83.99 9.30 8 15 -4 76.59 7.40 -8 15 4 74.09 7.70 -8 15 4 65.89 8.20 7 -15 -4 238.28 16.50 7 -15 -4 258.67 16.20 -7 -15 4 234.98 15.10 7 15 -4 248.68 14.70 -7 15 4 235.98 15.90 -7 15 4 263.07 15.30 6 -15 -4 375.66 20.80 -6 -15 4 338.07 20.00 6 -15 -4 347.97 21.40 -6 15 4 341.27 20.60 6 15 -4 346.17 19.70 -6 15 4 376.56 20.20 -5 -15 4 17.00 4.20 5 -15 -4 23.80 5.70 -5 15 4 18.20 5.10 5 15 -4 15.60 3.70 4 -15 -4 516.15 28.60 4 -15 -4 511.65 27.90 -4 -15 4 483.95 27.40 -4 15 4 522.05 27.90 -4 15 4 537.05 27.50 4 15 -4 490.05 27.00 3 -15 -4 119.39 11.00 -3 -15 4 107.89 9.10 3 -15 -4 101.39 10.40 -3 15 4 111.99 9.80 -3 15 4 116.09 9.90 3 15 -4 103.09 8.30 -2 -15 4 205.28 13.50 2 -15 -4 211.78 14.70 -2 15 4 217.18 13.80 2 15 -4 206.38 12.80 1 -15 -4 188.28 13.80 -1 -15 4 196.48 12.40 -1 15 4 187.18 12.90 1 15 -4 168.78 11.50 0 -15 4 336.27 18.30 0 -15 -4 295.97 21.50 0 15 4 281.47 21.80 0 15 -4 319.07 17.60 1 -15 4 394.96 22.00 -1 15 -4 403.56 21.40 1 15 4 363.56 23.20 2 -15 4 198.78 12.80 -2 -15 -4 183.68 13.50 2 15 4 182.18 12.90 -2 15 -4 190.58 12.10 3 -15 4 7.50 4.10 -3 -15 -4 3.40 4.50 -3 15 -4 4.60 3.30 3 15 4 2.90 4.00 -4 -15 -4 113.99 10.70 4 -15 4 132.89 10.30 -4 15 -4 124.09 9.30 4 15 4 120.79 10.50 -5 -15 -4 34.20 6.10 5 -15 4 56.69 7.50 5 15 4 39.90 5.80 -5 15 -4 36.70 5.20 -6 -15 -4 6.00 4.70 6 -15 4 0.90 4.20 -6 15 -4 12.30 3.90 6 15 4 9.30 4.50 -7 -15 -4 9.00 4.80 7 -15 4 4.50 4.40 -7 15 -4 8.10 3.80 7 15 4 3.60 4.30 8 -15 4 26.10 5.30 -8 -15 -4 29.90 5.90 8 15 4 32.80 6.00 -8 15 -4 31.10 5.10 9 -15 4 28.00 5.70 -9 -15 -4 30.10 5.90 9 15 4 30.00 5.70 -9 15 -4 20.50 4.80 -10 -15 -4 -3.00 4.60 10 -15 4 -2.30 4.50 10 15 4 1.50 4.60 -10 15 -4 1.90 3.90 -11 -15 -4 83.19 9.90 11 -15 4 68.09 8.10 -11 15 -4 87.99 9.30 11 15 4 60.39 7.80 -12 -15 -4 -2.20 4.90 12 -15 4 -1.90 5.30 -12 15 -4 -6.30 4.60 12 15 4 5.90 5.10 -13 -15 -4 6.00 5.50 13 -15 4 13.10 5.70 13 15 4 21.10 5.90 -13 15 -4 10.40 5.00 14 -15 4 30.60 6.50 -14 -15 -4 22.10 6.20 -14 15 -4 23.70 6.20 14 15 4 14.40 6.10 -15 -15 -4 56.79 8.20 15 -15 4 62.39 8.30 15 15 4 51.99 8.20 -15 15 -4 64.89 8.50 -14 -16 4 282.87 19.40 14 16 -4 302.97 19.20 -14 16 4 337.27 21.90 -13 -16 4 46.90 6.90 13 -16 -4 70.79 8.60 13 16 -4 51.59 6.50 -13 16 4 58.99 8.50 -12 -16 4 138.89 11.40 12 -16 -4 153.98 14.00 12 16 -4 135.09 11.10 -12 16 4 133.29 13.50 -11 -16 4 3.80 4.40 11 -16 -4 11.00 6.00 -11 16 4 -2.50 5.70 11 16 -4 -0.20 4.10 10 -16 -4 141.29 12.60 -10 -16 4 115.39 10.10 -10 16 4 121.09 11.90 10 16 -4 107.39 9.50 9 -16 -4 44.50 7.70 -9 -16 4 54.29 6.20 -9 16 4 44.60 6.80 9 16 -4 48.60 5.70 8 -16 -4 218.58 15.90 -8 -16 4 198.98 13.70 -8 16 4 210.38 14.80 8 16 -4 215.18 13.40 7 -16 -4 5.60 5.20 -7 -16 4 3.80 3.80 -7 16 4 -5.50 4.60 7 16 -4 -0.90 3.20 6 -16 -4 -6.00 5.10 -6 -16 4 -0.20 3.70 6 -16 -4 7.70 7.70 6 16 -4 -0.10 3.30 -6 16 4 -1.40 4.60 5 -16 -4 216.88 16.20 -5 -16 4 229.38 14.60 5 -16 -4 257.87 16.80 -5 16 4 232.78 15.30 5 16 -4 229.88 14.10 -4 -16 4 80.29 8.20 4 -16 -4 79.29 10.00 4 16 -4 84.69 7.70 -4 16 4 86.09 9.40 -3 -16 4 49.20 5.90 3 -16 -4 54.89 9.80 3 -16 -4 56.29 7.20 3 16 -4 54.49 6.60 -3 16 4 52.79 6.70 2 -16 -4 366.26 22.60 -2 -16 4 375.96 21.40 -2 16 4 384.06 21.80 2 16 -4 382.56 20.80 1 -16 -4 30.70 5.70 -1 -16 4 23.20 4.70 -1 16 4 26.00 5.10 1 16 -4 27.80 4.30 0 -16 4 182.48 12.70 0 -16 -4 190.78 13.70 0 16 4 183.98 12.80 0 16 -4 190.18 12.00 1 -16 4 15.40 4.60 -1 -16 -4 13.80 5.10 1 16 4 21.70 5.00 -1 16 -4 17.50 3.90 -2 -16 -4 87.09 9.30 2 -16 4 72.89 8.20 2 16 4 77.59 8.70 -2 16 -4 81.89 7.50 3 -16 4 -2.20 3.80 -3 -16 -4 -2.50 4.40 3 16 4 4.40 4.30 -3 16 -4 -0.20 3.30 4 -16 4 202.18 13.90 -4 -16 -4 217.98 14.70 4 16 4 203.18 14.10 -4 16 -4 191.48 13.00 5 -16 4 24.00 5.00 -5 -16 -4 15.50 5.40 -5 16 -4 22.10 4.60 5 16 4 26.40 5.30 6 -16 4 320.17 19.90 -6 -16 -4 336.17 20.40 6 16 4 336.67 19.80 -6 16 -4 325.57 19.10 7 -16 4 9.10 4.50 -7 -16 -4 9.20 5.00 7 16 4 7.00 4.90 -7 16 -4 5.80 4.00 -8 -16 -4 65.09 7.70 8 -16 4 69.39 9.30 -8 16 -4 61.39 7.10 8 16 4 78.19 9.10 -9 -16 -4 4.50 4.90 9 -16 4 5.80 4.60 9 16 4 9.50 5.10 -9 16 -4 9.40 4.50 10 -16 4 138.09 12.30 -10 -16 -4 141.69 12.80 -10 16 -4 144.99 11.50 10 16 4 134.29 12.30 11 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45.10 6.90 16 14 -5 33.30 6.40 15 -14 -5 3.30 7.50 -15 -14 5 8.70 5.10 15 14 -5 12.70 4.90 -14 -14 5 1.30 4.30 14 -14 -5 1.30 6.80 14 14 -5 0.40 4.00 -14 14 5 19.80 6.80 -14 14 5 0.20 5.50 13 -14 -5 -0.70 5.90 13 -14 -5 4.90 6.10 -13 -14 5 10.40 4.40 13 14 -5 2.80 4.00 -13 14 5 7.30 5.90 -13 14 5 8.70 5.10 12 -14 -5 74.79 8.50 12 -14 -5 70.09 8.30 -12 -14 5 66.09 8.10 -12 14 5 76.69 9.70 -12 14 5 77.29 9.90 12 14 -5 76.69 8.00 11 -14 -5 72.79 8.30 11 -14 -5 92.89 10.30 -11 -14 5 67.49 8.00 -11 14 5 71.09 7.90 -11 14 5 74.99 8.90 11 14 -5 75.29 7.80 -10 -14 5 27.50 4.80 10 -14 -5 40.00 6.60 10 -14 -5 25.20 5.80 -10 14 5 31.20 5.90 -10 14 5 14.90 5.10 10 14 -5 29.20 4.40 -9 -14 5 612.74 33.10 -9 -14 5 716.13 33.30 9 -14 -5 632.54 33.90 9 -14 -5 597.24 34.20 9 14 -5 588.84 32.70 -9 14 5 629.54 33.70 -9 14 5 607.94 33.50 -8 -14 5 303.87 16.70 -8 -14 5 262.37 16.30 8 -14 -5 281.07 17.40 8 -14 -5 266.17 17.80 -8 14 5 259.57 16.90 -8 14 5 262.47 16.70 8 14 -5 271.37 15.90 8 14 -5 305.97 16.10 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46.50 7.10 12 -14 5 54.49 6.90 12 14 5 44.30 6.70 -12 14 -5 39.40 6.10 13 -14 5 10.60 5.40 -13 -14 -5 4.70 5.10 13 14 5 0.60 5.20 -13 14 -5 4.20 4.90 -14 -14 -5 14.70 6.00 14 -14 5 27.30 6.50 14 14 5 40.50 7.00 -14 14 -5 29.60 6.30 15 -14 5 63.09 8.20 -15 -14 -5 53.89 8.20 -15 14 -5 65.49 7.90 15 14 5 54.99 8.00 16 -14 5 14.80 6.20 -16 -14 -5 15.10 6.40 16 14 5 3.50 6.30 -16 14 -5 8.10 6.00 -15 -15 5 151.38 13.00 15 15 -5 155.28 12.60 -14 -15 5 1.30 4.60 14 15 -5 0.30 4.70 -13 -15 5 235.18 15.20 13 -15 -5 235.78 17.00 13 15 -5 210.08 14.70 -13 15 5 232.88 17.10 12 -15 -5 12.10 6.30 -12 -15 5 16.90 4.90 12 -15 -5 33.80 7.00 -12 15 5 24.10 6.50 12 15 -5 26.10 4.80 11 -15 -5 251.37 17.00 -11 -15 5 229.28 15.10 11 -15 -5 258.77 17.40 -11 15 5 240.48 16.70 -11 15 5 237.48 16.00 11 15 -5 231.88 14.80 10 -15 -5 53.89 7.70 10 -15 -5 57.19 7.40 -10 -15 5 45.60 5.90 -10 15 5 47.90 6.90 10 15 -5 46.10 5.70 -10 15 5 55.59 6.60 9 -15 -5 103.39 10.60 -9 -15 5 86.69 8.50 9 -15 -5 95.09 11.00 9 15 -5 89.39 8.00 -9 15 5 91.99 10.20 -9 15 5 86.59 9.40 -8 -15 5 98.59 8.80 8 -15 -5 130.29 11.80 8 -15 -5 117.99 11.10 8 15 -5 97.79 8.40 -8 15 5 112.49 10.50 -8 15 5 96.89 9.60 -7 -15 5 72.29 9.40 -7 -15 5 45.20 5.30 7 -15 -5 41.80 6.30 7 -15 -5 33.70 6.40 -7 15 5 46.50 6.40 7 15 -5 46.60 6.10 -7 15 5 46.20 5.60 -6 -15 5 40.90 5.50 -6 -15 5 36.50 5.10 6 -15 -5 32.40 6.40 6 15 -5 46.10 5.80 -6 15 5 39.20 6.00 5 -15 -5 -3.20 4.80 -5 -15 5 -2.20 4.10 -5 -15 5 -2.70 3.20 5 -15 -5 -9.60 4.30 -5 15 5 4.30 4.50 5 15 -5 -1.20 2.90 -5 15 5 1.10 3.80 5 15 -5 -8.00 3.90 4 -15 -5 21.70 5.50 -4 -15 5 10.10 3.80 -4 -15 5 22.90 5.10 4 -15 -5 21.50 5.00 4 15 -5 13.30 3.40 -4 15 5 13.90 4.80 -4 15 5 21.20 4.20 3 -15 -5 54.59 6.50 -3 -15 5 43.20 5.30 3 -15 -5 47.20 6.60 -3 15 5 52.89 6.00 -3 15 5 46.30 6.30 3 15 -5 43.70 5.70 2 -15 -5 173.18 12.80 2 -15 -5 164.18 13.30 -2 -15 5 173.58 11.70 -2 15 5 185.78 12.10 -2 15 5 189.28 12.60 2 15 -5 170.88 11.10 1 -15 -5 27.20 5.40 1 -15 -5 32.00 5.60 -1 -15 5 21.60 4.30 1 15 -5 23.00 4.00 -1 15 5 26.90 5.00 -1 15 5 25.20 4.80 0 -15 -5 9.20 6.40 0 -15 5 18.90 4.40 0 -15 -5 13.90 5.10 0 15 5 20.40 4.80 0 15 -5 9.80 3.30 0 15 5 23.30 8.20 -1 -15 -5 123.29 14.30 1 -15 5 120.09 9.50 -1 15 -5 110.99 8.50 1 15 5 107.39 11.50 2 -15 5 139.79 10.60 -2 15 -5 139.29 9.80 2 15 5 142.69 12.70 3 -15 5 574.64 31.40 -3 -15 -5 601.94 32.40 3 15 5 589.44 31.60 -3 15 -5 576.74 30.80 4 -15 5 124.99 10.10 -4 -15 -5 121.59 11.10 4 15 5 123.59 10.70 -4 15 -5 128.79 9.50 5 -15 5 162.88 12.10 -5 -15 -5 180.98 13.10 -5 15 -5 162.18 11.40 5 15 5 171.78 12.50 6 -15 5 39.50 5.90 -6 -15 -5 35.40 6.10 6 15 5 35.80 5.70 -6 15 -5 43.10 5.30 7 -15 5 66.19 8.50 -7 -15 -5 70.39 9.50 7 15 5 87.79 9.00 -7 15 -5 71.59 7.80 8 -15 5 52.39 6.50 -8 -15 -5 60.99 7.40 -8 15 -5 42.60 5.90 8 15 5 52.19 6.70 -9 -15 -5 6.40 5.10 9 -15 5 7.50 5.00 -9 15 -5 14.40 4.50 9 15 5 17.90 5.30 -10 -15 -5 0.20 5.00 10 -15 5 8.60 4.80 -10 15 -5 -2.30 4.00 10 15 5 5.70 4.80 11 -15 5 62.59 8.00 -11 -15 -5 67.69 8.20 11 15 5 86.69 10.00 -11 15 -5 78.09 9.10 12 -15 5 6.00 5.20 -12 -15 -5 5.90 5.10 12 15 5 -2.50 5.30 -12 15 -5 6.60 4.90 -13 -15 -5 19.60 6.40 13 -15 5 35.50 6.80 13 15 5 35.90 6.60 -13 15 -5 30.00 5.80 14 -15 5 27.50 6.80 -14 -15 -5 36.30 7.30 -14 15 -5 49.30 7.10 14 15 5 40.40 7.20 15 -15 5 -15.10 5.70 -15 -15 -5 2.30 6.00 -15 15 -5 5.60 5.70 15 15 5 1.30 6.10 -14 -16 5 -3.70 4.80 14 16 -5 7.60 4.90 -13 -16 5 38.30 6.30 13 16 -5 36.50 6.00 -12 -16 5 60.69 8.10 12 -16 -5 36.10 12.70 12 16 -5 51.09 6.30 -11 -16 5 -4.40 3.90 11 -16 -5 30.00 10.30 -11 16 5 -2.50 10.20 11 16 -5 -0.70 3.90 10 -16 -5 201.08 17.90 -10 -16 5 199.38 13.40 10 16 -5 197.68 13.00 -9 -16 5 121.39 10.20 9 -16 -5 146.99 15.20 -9 16 5 116.79 15.30 9 16 -5 129.79 9.80 8 -16 -5 199.78 17.20 8 -16 -5 205.08 17.40 -8 -16 5 188.28 12.80 -8 16 5 186.78 15.80 8 16 -5 189.98 12.40 7 -16 -5 62.99 9.50 7 -16 -5 91.39 10.00 -7 -16 5 73.09 7.90 7 16 -5 76.69 7.40 -6 -16 5 6.60 3.90 6 -16 -5 2.20 6.40 6 16 -5 10.20 3.60 -5 -16 5 50.09 6.90 5 -16 -5 57.09 6.70 5 16 -5 53.89 6.30 -4 -16 5 26.50 4.60 4 -16 -5 38.20 6.00 4 16 -5 30.30 4.40 -4 16 5 36.60 9.70 -4 16 5 29.30 7.00 -3 -16 5 255.87 16.20 3 -16 -5 310.47 17.50 -3 16 5 238.48 18.60 3 16 -5 279.07 15.80 -2 -16 5 68.99 7.70 2 -16 -5 75.49 7.90 2 -16 -5 71.29 8.40 2 16 -5 70.79 7.00 -2 16 5 79.89 9.10 1 -16 -5 513.75 28.90 -1 -16 5 486.55 27.80 1 -16 -5 559.24 29.30 1 16 -5 496.25 27.10 -1 16 5 515.55 28.30 0 -16 5 80.29 8.60 0 -16 -5 95.69 10.20 0 16 -5 95.89 8.00 0 16 5 98.59 9.50 -1 -16 -5 222.58 15.80 1 -16 5 237.08 14.70 -1 16 -5 225.68 13.90 1 16 5 237.88 15.30 2 -16 5 48.40 6.20 -2 -16 -5 56.19 7.10 2 16 5 55.99 6.80 -2 16 -5 49.99 6.60 -3 -16 -5 3.90 4.80 3 -16 5 -0.40 3.80 -3 16 -5 -2.60 3.10 3 16 5 3.40 4.30 4 -16 5 0.50 3.90 -4 -16 -5 13.70 4.90 -4 16 -5 12.60 3.90 4 16 5 5.70 4.70 5 -16 5 2.30 4.10 -5 -16 -5 1.70 4.70 5 16 5 -2.70 4.30 -5 16 -5 4.60 3.70 -6 -16 -5 14.50 5.30 6 -16 5 6.50 4.60 6 16 5 8.30 4.80 -6 16 -5 12.40 3.90 7 -16 5 27.60 5.50 -7 -16 -5 29.70 6.10 7 16 5 24.40 5.60 -7 16 -5 26.20 4.50 -8 -16 -5 64.79 7.80 8 -16 5 69.59 8.80 -8 16 -5 71.99 8.30 8 16 5 59.39 7.30 -9 -16 -5 -0.10 5.00 9 -16 5 3.00 5.00 -9 16 -5 7.20 4.40 9 16 5 -0.40 4.80 -10 -16 -5 5.50 5.30 10 -16 5 -2.00 4.70 -10 16 -5 1.80 4.40 10 16 5 -13.00 4.80 -11 -16 -5 141.39 13.00 11 -16 5 124.69 12.40 11 16 5 141.79 12.50 -11 16 -5 131.59 11.50 12 -16 5 -2.10 5.50 -12 -16 -5 -3.90 5.20 12 16 5 0.80 5.50 -12 16 -5 0.40 5.00 -13 -16 -5 30.30 7.20 13 -16 5 34.50 7.00 13 16 5 31.60 7.00 -13 16 -5 39.20 6.50 -14 -16 -5 -5.50 5.90 14 -16 5 4.20 6.00 14 16 5 -6.80 6.10 -14 16 -5 1.80 5.60 -13 -17 5 168.98 13.60 13 17 -5 162.68 12.90 12 -17 -5 -6.00 6.60 -12 -17 5 -6.20 4.60 -12 17 5 -14.00 6.20 12 17 -5 9.20 4.70 -11 -17 5 11.50 4.80 11 -17 -5 9.30 6.30 -11 17 5 17.60 6.70 11 17 -5 13.60 4.70 10 -17 -5 13.10 6.50 -10 -17 5 3.30 4.20 10 17 -5 0.40 4.00 -10 17 5 13.30 6.20 -9 -17 5 0.80 3.90 9 -17 -5 5.50 6.20 -9 17 5 -5.10 5.40 9 17 -5 3.10 3.70 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10.50 5.20 8 14 -7 20.80 3.60 8 14 -7 28.20 3.90 -8 14 7 16.80 5.10 -7 -14 7 689.43 33.00 7 -14 -7 619.04 34.30 7 -14 -7 616.84 34.50 -7 -14 7 582.84 33.00 -7 14 7 640.84 34.00 -7 14 7 635.64 34.10 7 14 -7 595.34 32.70 7 14 -7 700.53 32.90 -6 -14 7 10.60 3.20 -6 -14 7 10.10 3.30 6 -14 -7 3.50 4.80 6 -14 -7 9.30 4.80 -6 14 7 5.50 4.50 6 14 -7 7.00 3.00 6 14 -7 9.40 2.90 -6 14 7 9.50 4.10 -5 -14 7 86.89 7.30 5 -14 -7 68.49 9.60 5 -14 -7 81.29 9.60 -5 -14 7 86.29 7.30 5 14 -7 104.39 7.20 5 14 -7 84.09 6.70 -5 14 7 100.09 8.90 -5 14 7 87.39 9.00 4 -14 -7 21.00 5.20 -4 -14 7 20.80 3.70 4 -14 -7 28.50 5.40 -4 -14 7 23.10 3.80 -4 14 7 26.10 5.00 4 14 -7 17.40 3.20 -4 14 7 24.00 4.50 4 14 -7 32.50 4.00 3 -14 -7 9.60 4.20 -3 -14 7 0.10 2.90 -3 -14 7 0.10 3.00 3 -14 -7 3.60 4.40 3 14 -7 8.10 3.20 3 14 -7 6.90 2.80 -3 14 7 6.50 4.30 -3 14 7 3.10 3.60 -2 -14 7 1.40 3.10 -2 -14 7 0.30 3.30 2 -14 -7 -10.00 4.00 2 -14 -7 -2.30 4.00 -2 14 7 -4.60 3.80 2 14 -7 -0.30 3.30 -2 14 7 -3.00 3.50 2 14 -7 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3.70 6 14 7 18.30 4.30 -7 -14 -7 475.75 27.20 7 -14 7 428.96 24.40 -7 -14 -7 420.06 25.10 7 14 7 410.36 24.70 -7 14 -7 429.96 23.80 -8 -14 -7 1.60 4.90 8 -14 7 -1.60 4.20 -8 14 -7 -1.20 3.40 8 14 7 -8.30 4.50 9 -14 7 302.87 18.00 -9 -14 -7 288.27 18.60 9 14 7 267.67 18.10 -9 14 -7 279.97 17.20 10 -14 7 0.60 4.60 -10 -14 -7 4.30 5.10 10 14 7 3.80 5.00 -10 14 -7 16.70 4.60 -11 -14 -7 95.69 10.90 11 -14 7 90.09 10.10 -11 14 -7 105.49 9.50 11 14 7 91.79 11.10 -12 -14 -7 10.40 5.50 12 -14 7 6.40 5.10 12 14 7 1.00 5.60 -12 14 -7 6.70 4.70 -13 -14 -7 7.00 5.80 13 -14 7 10.80 5.60 13 14 7 7.80 5.80 -13 14 -7 -0.20 5.00 -14 -14 -7 5.10 6.20 14 -14 7 12.80 6.00 14 14 7 6.60 6.10 -14 14 -7 13.80 5.30 15 -14 7 -3.40 6.00 -15 -14 -7 -7.80 5.80 15 14 7 2.40 6.30 -15 14 -7 5.90 5.70 -15 -15 7 -3.30 5.10 15 15 -7 0.10 5.00 -14 -15 7 19.40 5.40 14 -15 -7 20.30 8.10 14 15 -7 23.40 5.10 -13 -15 7 0.20 4.20 13 -15 -7 -2.40 8.70 13 15 -7 5.40 3.90 -13 15 7 -7.40 5.80 12 -15 -7 -0.10 6.90 -12 -15 7 -4.00 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13 -3 -14 50.89 6.30 -13 -3 14 55.59 5.90 -13 -3 14 61.59 6.30 13 3 -14 54.39 6.20 -12 -3 14 190.88 12.10 -12 -3 14 155.88 10.60 12 -3 -14 176.38 12.10 12 3 -14 197.98 10.80 -12 3 14 168.18 11.80 11 -3 -14 50.39 5.60 -11 -3 14 54.19 6.80 -11 -3 14 41.30 5.00 11 3 -14 38.30 5.20 -11 3 14 43.10 5.20 11 3 -14 44.50 5.00 -10 -3 14 1.40 4.60 -10 -3 14 3.10 2.30 10 -3 -14 0.20 3.30 -10 3 14 6.20 3.30 10 3 -14 1.80 2.40 10 3 -14 4.10 2.40 -9 -3 14 65.89 5.40 -9 -3 14 75.19 6.60 9 -3 -14 58.99 7.00 9 3 -14 58.29 5.60 -9 3 14 77.99 7.00 9 3 -14 77.19 5.50 -8 -3 14 181.38 10.40 8 -3 -14 170.38 11.90 -8 -3 14 208.68 11.10 8 3 -14 197.38 10.40 -8 3 14 169.48 11.70 8 3 -14 181.08 10.50 -7 -3 14 156.18 9.30 -7 -3 14 180.58 9.90 7 -3 -14 156.58 10.80 -7 3 14 154.18 10.60 7 3 -14 153.18 9.30 7 3 -14 181.68 9.30 -6 -3 14 19.10 3.00 6 -3 -14 9.90 3.60 -6 -3 14 21.20 2.60 6 3 -14 21.90 2.40 6 3 -14 16.70 2.50 -6 3 14 20.80 3.80 5 -3 -14 7.60 3.10 -5 -3 14 6.10 2.50 -5 -3 14 4.90 2.20 5 3 -14 11.30 3.50 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400.76 18.80 -1 5 -14 327.37 18.50 2 -5 14 0.60 3.20 2 -5 14 7.00 2.60 -2 -5 -14 -1.80 3.40 2 5 14 -0.10 3.60 -2 5 -14 1.80 2.20 -2 5 -14 2.10 2.80 3 -5 14 52.69 5.70 -3 -5 -14 52.49 7.00 3 -5 14 66.69 6.70 -3 5 -14 44.80 5.10 -3 5 -14 52.29 6.10 3 5 14 42.30 5.70 4 -5 14 88.59 7.30 -4 -5 -14 90.89 8.50 -4 5 -14 79.99 6.80 4 5 14 89.79 8.70 -5 -5 -14 10.10 4.40 5 -5 14 3.70 3.10 5 5 14 8.00 4.20 -5 5 -14 3.20 2.80 6 -5 14 13.70 3.80 -6 -5 -14 17.30 5.40 -6 5 -14 11.20 3.40 6 5 14 13.70 4.70 -7 -5 -14 31.60 6.30 7 -5 14 27.30 4.80 -7 5 -14 31.90 4.50 7 5 14 20.10 5.30 8 -5 14 139.49 11.00 8 5 14 139.39 14.50 -8 5 -14 156.48 10.70 9 -5 14 132.29 10.80 -9 -5 -14 126.79 11.90 -9 5 -14 124.79 10.40 9 5 14 150.18 12.50 10 -5 14 16.10 4.80 -10 -5 -14 14.20 5.70 -10 5 -14 11.50 4.60 10 5 14 16.60 6.70 10 5 14 31.00 6.30 11 -5 14 129.59 11.40 -11 -5 -14 130.19 12.00 -11 5 -14 118.79 10.50 11 5 14 121.99 12.30 12 -5 14 -5.60 4.80 -12 -5 -14 -0.50 5.20 -12 5 -14 6.20 4.60 12 5 14 4.50 5.40 -13 -5 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557.64 27.00 11 6 -14 505.55 27.10 -11 6 14 520.85 28.90 10 -6 -14 21.10 4.80 -10 -6 14 14.80 3.10 -10 6 14 15.10 4.10 10 6 -14 14.20 2.40 10 6 -14 13.60 2.50 -9 -6 14 352.36 19.50 -9 -6 14 395.86 19.90 9 -6 -14 380.36 21.90 9 6 -14 362.16 19.60 9 6 -14 397.16 19.50 -9 6 14 414.76 21.90 8 -6 -14 56.79 7.50 -8 6 14 53.39 7.40 7 -6 -14 2.30 3.80 -7 6 14 3.30 3.50 6 -6 -14 40.40 5.30 -6 6 14 34.00 4.90 5 -6 -14 45.70 5.80 -5 6 14 54.79 6.80 4 -6 -14 61.09 7.30 -4 6 14 50.19 5.90 3 -6 -14 60.79 7.40 -3 6 14 50.09 6.80 2 -6 -14 39.70 5.60 -2 -6 14 46.30 4.40 -2 -6 14 35.90 4.40 2 6 -14 52.49 3.70 -2 6 14 37.30 6.30 -1 -6 14 56.29 5.00 -1 -6 14 48.90 4.40 1 6 -14 41.90 4.10 1 6 -14 54.49 4.30 0 -6 14 1.30 2.20 0 -6 14 1.80 2.50 0 -6 -14 -2.40 5.70 0 6 14 2.10 4.20 0 6 -14 4.70 2.20 0 6 -14 2.10 1.90 1 -6 14 4.80 2.90 -1 -6 -14 5.80 4.50 1 -6 14 8.20 2.70 -1 6 -14 7.40 2.30 -1 6 -14 12.40 2.50 1 6 14 2.20 3.90 -2 -6 -14 106.59 9.30 2 -6 14 108.29 7.70 2 -6 14 94.89 7.30 2 6 14 98.09 9.30 -2 6 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6 -14 99.79 9.90 13 -6 14 44.00 7.00 -13 -6 -14 27.10 6.90 -13 6 -14 25.40 6.10 13 6 14 25.60 6.80 -14 -6 -14 8.10 6.50 14 -6 14 25.30 6.30 -14 6 -14 19.60 5.90 14 6 14 10.50 6.10 -15 -6 -14 13.00 7.40 15 -6 14 18.40 6.50 -15 6 -14 14.20 5.90 15 6 14 33.20 7.10 -16 -6 -14 25.50 8.30 16 -6 14 22.00 6.60 -16 6 -14 24.80 6.50 16 6 14 2.10 6.50 17 -7 -14 93.89 12.10 -17 -7 14 96.39 9.60 -17 7 14 131.99 11.30 17 7 -14 123.59 10.10 16 -7 -14 27.10 6.40 -16 -7 14 20.80 4.10 16 7 -14 22.60 4.40 -16 7 14 22.30 5.60 15 -7 -14 11.50 5.70 -15 -7 14 3.80 3.20 15 7 -14 11.30 3.40 -15 7 14 7.80 4.80 -14 -7 14 71.29 6.40 -14 -7 14 77.79 10.50 14 7 -14 54.99 6.40 -13 -7 14 106.99 8.40 -13 -7 14 78.19 6.70 13 -7 -14 106.89 10.00 13 7 -14 84.69 6.90 13 7 -14 89.99 6.70 -13 7 14 67.79 9.20 12 -7 -14 34.30 6.00 -12 -7 14 45.10 4.60 -12 -7 14 36.70 4.60 12 7 -14 35.50 4.70 12 7 -14 34.50 4.60 -12 7 14 30.90 5.70 -11 -7 14 5.40 2.10 11 -7 -14 13.40 4.90 -11 -7 14 6.00 3.00 -11 7 14 6.80 4.40 11 7 -14 1.00 2.30 11 7 -14 8.20 2.30 10 -7 -14 145.79 11.30 -10 -7 14 131.99 8.00 -10 7 14 141.69 11.20 10 7 -14 139.29 8.00 9 -7 -14 236.08 15.30 -9 7 14 224.58 15.00 8 -7 -14 70.39 8.70 -8 7 14 59.69 7.80 7 -7 -14 451.85 25.60 -7 7 14 459.65 25.40 6 -7 -14 5.00 4.30 -6 7 14 3.80 3.90 5 -7 -14 -5.50 3.70 -5 7 14 5.50 3.90 4 -7 -14 425.76 23.90 -4 7 14 426.46 23.80 3 -7 -14 1.90 4.00 -3 7 14 3.80 3.70 -2 -7 14 1.20 2.10 2 -7 -14 2.40 3.90 -2 -7 14 2.70 1.90 -2 7 14 5.90 4.00 2 7 -14 4.60 1.60 1 -7 -14 4.50 4.90 -1 -7 14 3.40 2.40 -1 -7 14 -1.90 2.00 1 7 -14 4.00 1.70 -1 7 14 -0.10 6.90 1 7 -14 4.20 1.90 0 -7 14 63.29 5.60 0 -7 14 53.39 5.20 0 7 14 48.40 8.50 0 7 -14 74.49 5.10 0 7 -14 57.09 4.70 1 -7 14 483.85 25.60 1 -7 14 537.85 25.80 -1 -7 -14 459.35 28.10 1 7 14 472.95 27.50 -1 7 -14 535.05 25.60 -1 7 -14 472.75 25.30 2 -7 14 143.99 9.60 2 -7 14 174.28 9.90 -2 -7 -14 146.89 11.60 2 7 14 131.59 11.40 -2 7 -14 161.98 9.60 -2 7 -14 149.29 9.20 -3 -7 -14 23.40 5.10 3 -7 14 30.50 4.10 3 -7 14 20.50 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18.90 0 -5 21 285.97 17.10 0 5 21 307.67 18.90 0 5 -21 302.47 17.10 1 -5 21 59.79 7.00 -1 -5 -21 62.99 7.50 1 5 21 54.29 7.30 -1 5 -21 49.99 6.60 -2 -5 -21 99.49 10.40 2 -5 21 91.39 8.50 2 5 21 102.89 10.40 -2 5 -21 93.39 8.20 3 -5 21 56.99 7.50 -3 -5 -21 53.39 7.20 -3 5 -21 55.69 6.90 3 5 21 50.69 7.10 -4 -5 -21 31.40 6.20 4 -5 21 22.70 4.70 4 5 21 6.00 5.70 -4 5 -21 22.60 4.60 5 -5 21 32.50 5.70 -5 -5 -21 47.90 7.20 -5 5 -21 30.00 5.40 5 5 21 43.50 6.80 6 -5 21 241.58 16.50 -6 -5 -21 259.47 17.70 6 5 21 254.27 17.70 -6 5 -21 257.57 16.30 -7 -5 -21 6.00 5.60 7 -5 21 1.60 4.90 -7 5 -21 3.10 4.70 7 5 21 -3.60 5.30 8 -5 21 253.67 18.50 -8 -5 -21 305.67 19.80 8 5 21 310.47 19.60 -8 5 -21 275.57 18.30 8 -6 -21 36.00 7.10 -8 -6 21 47.70 5.70 -8 -6 21 40.60 4.30 8 6 -21 38.00 4.30 -8 6 21 42.60 6.70 -7 -6 21 -4.10 4.10 -7 -6 21 1.90 2.70 7 -6 -21 -1.90 5.20 7 6 -21 2.90 2.80 -7 6 21 1.80 4.70 6 -6 -21 100.49 11.30 -6 -6 21 105.89 7.40 -6 -6 21 112.29 9.30 6 6 -21 96.19 7.30 -6 6 21 104.39 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0.00 -3 14 20 -1.58 0.00 -2 14 20 1.54 0.00 -1 14 20 1.34 0.00 0 14 20 1.76 0.00 1 14 20 1.19 0.00 2 14 20 1.74 0.00 3 14 20 -1.28 0.00 4 14 20 0.93 0.00 5 14 20 1.21 0.00 -1 15 20 -1.89 0.00 0 15 20 -0.27 0.00 -15 0 21 1.60 0.00 -13 0 21 4.23 0.00 -11 0 21 0.47 0.00 11 0 21 -3.51 0.00 13 0 21 2.52 0.00 -14 1 21 -0.49 0.00 -13 1 21 -0.39 0.00 -12 1 21 -4.42 0.00 -11 1 21 0.79 0.00 10 1 21 -8.22 0.00 11 1 21 1.19 0.00 12 1 21 2.29 0.00 13 1 21 -0.84 0.00 14 1 21 -0.95 0.00 -14 2 21 2.12 0.00 -13 2 21 0.99 0.00 -12 2 21 1.56 0.00 -11 2 21 -1.16 0.00 10 2 21 -10.82 0.00 11 2 21 -0.52 0.00 12 2 21 -3.12 0.00 13 2 21 1.20 0.00 14 2 21 1.80 0.00 -14 3 21 -0.26 0.00 -13 3 21 0.94 0.00 -12 3 21 -0.72 0.00 -11 3 21 -0.57 0.00 10 3 21 -3.56 0.00 11 3 21 3.12 0.00 12 3 21 -1.66 0.00 13 3 21 -1.47 0.00 -14 4 21 2.26 0.00 -13 4 21 0.10 0.00 -12 4 21 0.15 0.00 -11 4 21 0.26 0.00 -10 4 21 -2.51 0.00 10 4 21 -5.79 0.00 11 4 21 7.08 0.00 12 4 21 -5.26 0.00 13 4 21 4.67 0.00 -14 5 21 0.45 0.00 -13 5 21 -1.15 0.00 -12 5 21 3.27 0.00 -11 5 21 -1.05 0.00 -10 5 21 0.71 0.00 9 5 21 4.75 0.00 10 5 21 8.61 0.00 11 5 21 2.44 0.00 12 5 21 0.86 0.00 13 5 21 0.63 0.00 -13 6 21 -0.48 0.00 -12 6 21 2.82 0.00 -11 6 21 1.63 0.00 -10 6 21 2.21 0.00 -9 6 21 5.52 0.00 8 6 21 -4.24 0.00 9 6 21 -2.81 0.00 10 6 21 -1.67 0.00 11 6 21 3.40 0.00 12 6 21 -0.67 0.00 -12 7 21 0.52 0.00 -11 7 21 -1.51 0.00 -10 7 21 0.49 0.00 -9 7 21 -2.81 0.00 -8 7 21 1.75 0.00 7 7 21 8.61 0.00 8 7 21 0.51 0.00 9 7 21 1.03 0.00 10 7 21 -0.36 0.00 11 7 21 -1.57 0.00 12 7 21 -3.36 0.00 -12 8 21 2.08 0.00 -11 8 21 -1.32 0.00 -10 8 21 1.41 0.00 -9 8 21 0.34 0.00 -8 8 21 -3.77 0.00 -7 8 21 0.85 0.00 6 8 21 2.78 0.00 7 8 21 0.28 0.00 8 8 21 -2.11 0.00 9 8 21 1.83 0.00 10 8 21 0.55 0.00 11 8 21 -1.20 0.00 -11 9 21 -0.89 0.00 -10 9 21 0.71 0.00 -9 9 21 -0.12 0.00 -8 9 21 2.23 0.00 -7 9 21 0.88 0.00 -6 9 21 -3.66 0.00 -5 9 21 -4.19 0.00 4 9 21 -2.97 0.00 5 9 21 1.08 0.00 6 9 21 0.17 0.00 7 9 21 5.04 0.00 8 9 21 0.04 0.00 9 9 21 1.29 0.00 10 9 21 0.33 0.00 -10 10 21 -0.11 0.00 -9 10 21 -3.71 0.00 -8 10 21 1.49 0.00 -7 10 21 -1.35 0.00 -6 10 21 1.88 0.00 -5 10 21 -0.14 0.00 -4 10 21 -1.09 0.00 -3 10 21 -0.69 0.00 -2 10 21 0.82 0.00 -1 10 21 5.16 0.00 0 10 21 4.13 0.00 1 10 21 5.84 0.00 2 10 21 1.65 0.00 3 10 21 1.69 0.00 4 10 21 0.88 0.00 5 10 21 -4.39 0.00 6 10 21 0.92 0.00 7 10 21 -2.18 0.00 8 10 21 -0.43 0.00 9 10 21 3.58 0.00 -9 11 21 -0.17 0.00 -8 11 21 -0.15 0.00 -7 11 21 -1.36 0.00 -6 11 21 -2.35 0.00 -5 11 21 -2.03 0.00 -4 11 21 -0.38 0.00 -3 11 21 -1.77 0.00 -2 11 21 0.98 0.00 -1 11 21 -0.59 0.00 0 11 21 1.27 0.00 1 11 21 -1.00 0.00 2 11 21 0.35 0.00 3 11 21 -0.66 0.00 4 11 21 -3.37 0.00 5 11 21 -0.06 0.00 6 11 21 0.05 0.00 7 11 21 -2.77 0.00 8 11 21 -0.37 0.00 -7 12 21 0.42 0.00 -6 12 21 0.98 0.00 -5 12 21 -0.84 0.00 -4 12 21 -2.16 0.00 -3 12 21 0.33 0.00 -2 12 21 0.31 0.00 -1 12 21 3.38 0.00 0 12 21 1.54 0.00 1 12 21 2.76 0.00 2 12 21 2.24 0.00 3 12 21 0.40 0.00 4 12 21 -0.73 0.00 5 12 21 0.20 0.00 6 12 21 -2.00 0.00 -5 13 21 1.23 0.00 -4 13 21 -0.10 0.00 -3 13 21 0.31 0.00 -2 13 21 -1.06 0.00 -1 13 21 -0.36 0.00 0 13 21 -0.89 0.00 1 13 21 1.89 0.00 2 13 21 -0.07 0.00 3 13 21 0.90 0.00 4 13 21 0.26 0.00 -12 0 22 1.28 0.00 -10 0 22 3.65 0.00 8 0 22 5.61 0.00 10 0 22 -3.64 0.00 12 0 22 -2.09 0.00 -13 1 22 -0.63 0.00 -12 1 22 0.83 0.00 -11 1 22 3.03 0.00 -10 1 22 0.60 0.00 -9 1 22 -0.31 0.00 8 1 22 2.19 0.00 9 1 22 10.24 0.00 10 1 22 0.98 0.00 11 1 22 4.38 0.00 12 1 22 -1.48 0.00 -13 2 22 -2.80 0.00 -12 2 22 1.17 0.00 -11 2 22 -1.23 0.00 -10 2 22 1.55 0.00 -9 2 22 0.85 0.00 8 2 22 3.87 0.00 9 2 22 -1.38 0.00 10 2 22 -1.40 0.00 11 2 22 4.77 0.00 12 2 22 -2.68 0.00 -13 3 22 0.03 0.00 -12 3 22 2.44 0.00 -11 3 22 -0.68 0.00 -10 3 22 1.40 0.00 -9 3 22 -1.95 0.00 -8 3 22 -1.90 0.00 8 3 22 1.12 0.00 9 3 22 2.73 0.00 10 3 22 2.62 0.00 11 3 22 -0.03 0.00 12 3 22 -1.93 0.00 -12 4 22 0.91 0.00 -11 4 22 1.01 0.00 -10 4 22 2.47 0.00 -9 4 22 2.26 0.00 -8 4 22 0.25 0.00 7 4 22 -2.99 0.00 8 4 22 -3.59 0.00 9 4 22 -3.96 0.00 10 4 22 -2.22 0.00 11 4 22 0.81 0.00 12 4 22 -3.62 0.00 -12 5 22 1.05 0.00 -11 5 22 -3.04 0.00 -10 5 22 1.64 0.00 -9 5 22 -0.27 0.00 -8 5 22 3.83 0.00 -7 5 22 0.14 0.00 6 5 22 -2.03 0.00 7 5 22 3.81 0.00 8 5 22 -1.17 0.00 9 5 22 -4.49 0.00 10 5 22 0.63 0.00 11 5 22 -6.32 0.00 -11 6 22 -0.65 0.00 -10 6 22 -0.80 0.00 -9 6 22 1.52 0.00 -8 6 22 -3.03 0.00 -7 6 22 4.42 0.00 -6 6 22 1.62 0.00 5 6 22 -3.98 0.00 6 6 22 1.21 0.00 7 6 22 -0.93 0.00 8 6 22 -0.59 0.00 9 6 22 3.20 0.00 10 6 22 1.41 0.00 11 6 22 0.01 0.00 -11 7 22 -1.38 0.00 -10 7 22 3.33 0.00 -9 7 22 -1.45 0.00 -8 7 22 3.87 0.00 -7 7 22 0.40 0.00 -6 7 22 0.71 0.00 -5 7 22 2.17 0.00 -4 7 22 -0.12 0.00 3 7 22 0.72 0.00 4 7 22 -2.79 0.00 5 7 22 -0.29 0.00 6 7 22 -2.38 0.00 7 7 22 -0.29 0.00 8 7 22 -2.65 0.00 9 7 22 -1.24 0.00 10 7 22 0.08 0.00 -10 8 22 -0.24 0.00 -9 8 22 -0.76 0.00 -8 8 22 -0.92 0.00 -7 8 22 2.41 0.00 -6 8 22 2.01 0.00 -5 8 22 1.58 0.00 -4 8 22 2.59 0.00 -3 8 22 -3.31 0.00 -2 8 22 0.47 0.00 -1 8 22 0.00 0.00 0 8 22 0.33 0.00 1 8 22 3.80 0.00 2 8 22 0.20 0.00 3 8 22 2.91 0.00 4 8 22 1.30 0.00 5 8 22 -4.02 0.00 6 8 22 1.88 0.00 7 8 22 -2.16 0.00 8 8 22 0.55 0.00 9 8 22 2.39 0.00 -9 9 22 -1.00 0.00 -8 9 22 0.85 0.00 -7 9 22 -1.51 0.00 -6 9 22 -0.62 0.00 -5 9 22 3.57 0.00 -4 9 22 -0.02 0.00 -3 9 22 1.58 0.00 -2 9 22 -2.36 0.00 -1 9 22 -3.89 0.00 0 9 22 -0.48 0.00 1 9 22 -4.38 0.00 2 9 22 1.19 0.00 3 9 22 1.24 0.00 4 9 22 -1.26 0.00 5 9 22 2.31 0.00 6 9 22 -0.84 0.00 7 9 22 -2.91 0.00 8 9 22 -1.62 0.00 -8 10 22 2.17 0.00 -7 10 22 -0.53 0.00 -6 10 22 1.52 0.00 -5 10 22 0.15 0.00 -4 10 22 -1.52 0.00 -3 10 22 0.35 0.00 -2 10 22 -3.14 0.00 -1 10 22 0.81 0.00 0 10 22 -4.60 0.00 1 10 22 0.29 0.00 2 10 22 -0.66 0.00 3 10 22 -0.64 0.00 4 10 22 1.33 0.00 5 10 22 -0.87 0.00 6 10 22 2.99 0.00 7 10 22 0.04 0.00 -6 11 22 1.46 0.00 -5 11 22 1.71 0.00 -4 11 22 1.39 0.00 -3 11 22 -0.05 0.00 -2 11 22 -1.17 0.00 -1 11 22 -0.58 0.00 0 11 22 -1.01 0.00 1 11 22 0.35 0.00 2 11 22 1.04 0.00 3 11 22 1.52 0.00 4 11 22 0.71 0.00 5 11 22 2.20 0.00 -4 12 22 -1.23 0.00 -3 12 22 0.89 0.00 -2 12 22 -1.47 0.00 -1 12 22 -1.10 0.00 0 12 22 -2.72 0.00 1 12 22 -0.35 0.00 2 12 22 -1.61 0.00 3 12 22 -1.24 0.00 -11 0 23 -3.53 0.00 -9 0 23 -1.06 0.00 -7 0 23 1.89 0.00 5 0 23 8.92 0.00 7 0 23 -1.43 0.00 9 0 23 -4.35 0.00 11 0 23 2.84 0.00 -11 1 23 0.03 0.00 -10 1 23 -1.45 0.00 -9 1 23 -0.17 0.00 -8 1 23 1.55 0.00 -7 1 23 0.20 0.00 -6 1 23 3.51 0.00 -5 1 23 0.75 0.00 5 1 23 -2.46 0.00 6 1 23 -4.86 0.00 7 1 23 2.05 0.00 8 1 23 -3.40 0.00 9 1 23 -1.96 0.00 10 1 23 -1.46 0.00 11 1 23 -0.54 0.00 -11 2 23 -0.55 0.00 -10 2 23 0.65 0.00 -9 2 23 0.80 0.00 -8 2 23 -0.59 0.00 -7 2 23 -0.30 0.00 -6 2 23 0.42 0.00 -5 2 23 -0.66 0.00 4 2 23 0.89 0.00 5 2 23 4.22 0.00 6 2 23 -0.75 0.00 7 2 23 -2.94 0.00 8 2 23 -0.17 0.00 9 2 23 -2.24 0.00 10 2 23 2.26 0.00 -11 3 23 -2.49 0.00 -10 3 23 0.12 0.00 -9 3 23 1.21 0.00 -8 3 23 0.78 0.00 -7 3 23 4.63 0.00 -6 3 23 -0.59 0.00 -5 3 23 2.20 0.00 4 3 23 0.94 0.00 5 3 23 -0.42 0.00 6 3 23 -2.03 0.00 7 3 23 3.62 0.00 8 3 23 -3.18 0.00 9 3 23 -3.16 0.00 10 3 23 1.98 0.00 -11 4 23 -0.30 0.00 -10 4 23 -1.48 0.00 -9 4 23 -2.16 0.00 -8 4 23 -0.76 0.00 -7 4 23 0.20 0.00 -6 4 23 2.62 0.00 -5 4 23 1.34 0.00 -4 4 23 1.95 0.00 -3 4 23 -2.27 0.00 2 4 23 -2.28 0.00 3 4 23 2.14 0.00 4 4 23 2.31 0.00 5 4 23 -3.41 0.00 6 4 23 3.43 0.00 7 4 23 -0.02 0.00 8 4 23 3.53 0.00 9 4 23 4.70 0.00 10 4 23 3.39 0.00 -10 5 23 0.69 0.00 -9 5 23 -0.53 0.00 -8 5 23 -0.46 0.00 -7 5 23 -0.17 0.00 -6 5 23 -0.96 0.00 -5 5 23 3.17 0.00 -4 5 23 1.41 0.00 -3 5 23 4.96 0.00 -2 5 23 1.54 0.00 -1 5 23 0.84 0.00 0 5 23 -0.14 0.00 1 5 23 -3.07 0.00 2 5 23 -2.25 0.00 3 5 23 -0.87 0.00 4 5 23 0.45 0.00 5 5 23 1.07 0.00 6 5 23 1.34 0.00 7 5 23 -1.63 0.00 8 5 23 -1.01 0.00 9 5 23 -2.14 0.00 -9 6 23 0.11 0.00 -8 6 23 -2.28 0.00 -7 6 23 0.75 0.00 -6 6 23 -2.31 0.00 -5 6 23 -2.18 0.00 -4 6 23 -0.74 0.00 -3 6 23 -2.22 0.00 -2 6 23 -0.08 0.00 -1 6 23 -0.39 0.00 0 6 23 -1.37 0.00 1 6 23 -0.03 0.00 2 6 23 -2.54 0.00 3 6 23 -0.38 0.00 4 6 23 0.05 0.00 5 6 23 -1.76 0.00 6 6 23 3.32 0.00 7 6 23 0.78 0.00 8 6 23 1.07 0.00 9 6 23 2.24 0.00 -9 7 23 -2.31 0.00 -8 7 23 1.03 0.00 -7 7 23 -1.71 0.00 -6 7 23 -1.87 0.00 -5 7 23 1.93 0.00 -4 7 23 -1.38 0.00 -3 7 23 2.35 0.00 -2 7 23 -1.20 0.00 -1 7 23 0.53 0.00 0 7 23 -0.49 0.00 1 7 23 -1.50 0.00 2 7 23 -0.69 0.00 3 7 23 2.40 0.00 4 7 23 -0.96 0.00 5 7 23 2.99 0.00 6 7 23 0.59 0.00 7 7 23 -1.87 0.00 8 7 23 -0.15 0.00 -8 8 23 0.54 0.00 -7 8 23 -0.65 0.00 -6 8 23 -0.92 0.00 -5 8 23 -2.35 0.00 -4 8 23 -0.22 0.00 -3 8 23 -0.68 0.00 -2 8 23 1.00 0.00 -1 8 23 1.18 0.00 0 8 23 -1.53 0.00 1 8 23 -0.08 0.00 2 8 23 -1.29 0.00 3 8 23 -2.07 0.00 4 8 23 -0.28 0.00 5 8 23 -0.69 0.00 6 8 23 3.20 0.00 7 8 23 0.06 0.00 -6 9 23 -0.26 0.00 -5 9 23 2.29 0.00 -4 9 23 -1.52 0.00 -3 9 23 2.93 0.00 -2 9 23 1.08 0.00 -1 9 23 1.75 0.00 0 9 23 2.54 0.00 1 9 23 0.12 0.00 2 9 23 2.08 0.00 3 9 23 0.72 0.00 4 9 23 -1.04 0.00 5 9 23 1.49 0.00 6 9 23 -1.21 0.00 -4 10 23 -0.21 0.00 -3 10 23 1.90 0.00 -2 10 23 -0.50 0.00 -1 10 23 2.54 0.00 0 10 23 -2.54 0.00 1 10 23 1.15 0.00 2 10 23 -1.27 0.00 3 10 23 -2.54 0.00 4 10 23 0.97 0.00 0 0 0 0.00 0.00 # SQUEEZE RESULTS (Version = 80716) # 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 0.000 0.000 0.500 758 252 '6x dichloromethane' 2 0.500 0.500 0.000 759 252 '6x dichloromethane' # 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 2 0 0 2.123 1 1 0 1.544 2 1 0 2.401 0 2 0 2.243 -1 0 1 1.465 1 0 1 1.491 -1 1 1 1.845 0 1 1 1.522 1 1 1 1.866 0 0 2 2.059 0 1 2 2.344 _platon_squeeze_void_probe_radius 1.20 _platon_squeeze_details ) TITL FF400_0m_a.res in P2(1)/n CELL 19.1879 18.1604 19.7879 90.00 91.01 90.00 SPGR P21/n # Solvent Accessible Volume = 1518 # Electrons Found in S.A.V. = 503 # Note: Atoms in Void as Cxxx and Qxxx all others C101 0.608 0.549 0.047 ! 18.95 eA-3 C102 0.982 0.548 0.260 ! 11.64 eA-3 C103 0.952 0.900 0.437 ! 9.99 eA-3 C104 0.395 0.280 0.050 ! 9.45 eA-3 C105 0.138 0.619 0.263 ! 9.30 eA-3 C106 0.500 0.215 0.145 ! 9.16 eA-3 C107 0.098 0.808 0.525 ! 5.96 eA-3 C108 0.906 0.894 0.412 ! 5.18 eA-3 Q109 0.207 0.582 0.349 ! 4.52 eA-3 C110 0.918 0.842 0.400 ! 4.37 eA-3 C111 0.917 0.984 0.391 ! 3.79 eA-3 C112 0.060 0.783 0.361 ! 3.69 eA-3 C113 0.520 0.844 0.839 ! 3.51 eA-3 C114 0.588 0.989 0.828 ! 2.78 eA-3 C115 0.083 0.490 0.348 ! 2.73 eA-3 C116 0.590 0.948 0.829 ! 2.68 eA-3 C117 0.630 0.625 0.075 ! 2.35 eA-3 C118 0.999 0.138 0.608 ! 1.36 eA-3 C119 0.624 0.610 0.024 ! 1.31 eA-3 Q120 0.564 0.715 0.344 ! 1.06 eA-3 Q121 0.533 0.749 0.309 ! 0.91 eA-3 Q122 0.985 0.315 0.092 ! 0.90 eA-3 Q123 0.895 0.077 0.839 ! 0.90 eA-3 Q124 0.947 0.878 0.872 ! 0.88 eA-3 Q125 0.349 0.113 0.170 ! 0.84 eA-3 Q126 0.452 0.634 0.874 ! 0.84 eA-3 Q127 0.439 0.388 0.747 ! 0.82 eA-3 Q128 0.985 0.250 0.155 ! 0.79 eA-3 Q129 0.521 0.618 0.737 ! 0.79 eA-3 Q130 0.490 0.720 0.310 ! 0.77 eA-3 Q131 0.929 0.706 0.577 ! 0.77 eA-3 Q132 0.193 0.468 0.075 ! 0.74 eA-3 Q133 0.935 0.380 0.343 ! 0.70 eA-3 Q134 0.250 0.063 0.074 ! 0.68 eA-3 Q135 0.364 0.309 0.629 ! 0.68 eA-3 Q136 0.542 0.673 0.319 ! 0.67 eA-3 Q137 0.315 0.277 0.532 ! 0.65 eA-3 Q138 0.559 0.259 0.768 ! 0.65 eA-3 Q139 0.082 0.727 0.785 ! 0.63 eA-3 Q140 0.263 0.172 0.535 ! 0.63 eA-3 Q141 0.156 0.609 0.813 ! 0.63 eA-3 Q142 0.643 0.957 0.066 ! 0.63 eA-3 Q143 0.296 0.773 0.294 ! 0.62 eA-3 Q144 0.575 0.109 0.611 ! 0.62 eA-3 Q145 0.016 0.781 0.057 ! 0.60 eA-3 C146 0.963 0.790 0.358 ! 0.59 eA-3 Q147 0.969 0.910 0.205 ! 0.59 eA-3 Q148 0.528 0.397 0.252 ! 0.58 eA-3 Q149 0.597 0.525-0.003 ! 0.56 eA-3 Q150 0.328 0.779 0.725 ! 0.56 eA-3 Q151 0.497 0.144 0.907 ! 0.55 eA-3 C152 0.073 0.657 0.326 ! 0.54 eA-3 Q153 0.291 0.091 0.713 ! 0.54 eA-3 Q154 0.730 0.295 0.943 ! 0.54 eA-3 Q155 0.527 0.782 0.622 ! 0.54 eA-3 Q156 0.709 0.013 0.919 ! 0.54 eA-3 Q157 0.725 0.658 0.769 ! 0.53 eA-3 Q158 0.432 0.876 0.412 ! 0.52 eA-3 Q159 0.151 0.248 0.861 ! 0.52 eA-3 Q160 0.117 0.062 0.938 ! 0.52 eA-3 Q161 0.814 0.193 0.170 ! 0.52 eA-3 Q162 0.874 0.437 0.369 ! 0.52 eA-3 Q163 0.270 0.512 0.797 ! 0.52 eA-3 Q164 0.313 0.488 0.611 ! 0.51 eA-3 Q165 0.144 0.547 0.840 ! 0.51 eA-3 C166 0.046 0.870 0.417 ! 0.51 eA-3 Q167 0.828 0.521 0.159 ! 0.50 eA-3 Q168 0.528 0.372 0.860 ! 0.50 eA-3 C169 0.559 0.249 0.142 ! 0.50 eA-3 ) ; _shelx_fab_checksum 90187 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, -y-1/2, z-1/2' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group RU1 Ru 0.52567(2) 0.71348(2) 0.32750(2) 0.01260(9) Uani 1 1 d . . . . . CL1 Cl 0.44279(4) 0.63148(4) 0.38627(4) 0.02010(17) Uani 1 1 d . . . . . CL2 Cl 0.56152(4) 0.60780(4) 0.25760(4) 0.01988(17) Uani 1 1 d . . . . . P4 P 0.59296(4) 0.78191(4) 0.26986(4) 0.01338(17) Uani 1 1 d . . . . . P1 P 0.44340(4) 0.73204(4) 0.24120(4) 0.01704(18) Uani 1 1 d . . . . . P3 P 0.50870(4) 0.81576(4) 0.39298(4) 0.01492(17) Uani 1 1 d . . . . . P2 P 0.63539(4) 0.68357(4) 0.38172(4) 0.01423(17) Uani 1 1 d . . . . . CL4 Cl 0.39487(5) 0.42894(5) 0.34513(5) 0.0401(2) Uani 1 1 d . . . . . CL6 Cl 0.26360(5) -0.02760(6) 0.06117(5) 0.0418(2) Uani 1 1 d . . . . . CL3 Cl 0.51732(8) 0.39663(7) 0.26552(7) 0.0748(4) Uani 1 1 d . . . . . CL5 Cl 0.27018(8) 0.13531(7) 0.06041(7) 0.0687(4) Uani 1 1 d . . . . . N1 N 0.55604(13) 0.81361(14) 0.19619(12) 0.0176(5) Uani 1 1 d . . . . . N2 N 0.66951(13) 0.73774(14) 0.25441(12) 0.0167(5) Uani 1 1 d . . . . . N3 N 0.61890(13) 0.85698(13) 0.31522(12) 0.0152(5) Uani 1 1 d . . . . . C43 C 0.56904(15) 0.88497(16) 0.36139(15) 0.0166(6) Uani 1 1 d . . . . . C16 C 0.36266(16) 0.78345(16) 0.25547(15) 0.0186(7) Uani 1 1 d . . . . . C9 C 0.57505(16) 0.86218(17) 0.14460(14) 0.0182(6) Uani 1 1 d . . . . . C52 C 0.42647(16) 0.86588(17) 0.40125(15) 0.0205(7) Uani 1 1 d . . . . . C44 C 0.58655(16) 0.95645(17) 0.37858(15) 0.0199(6) Uani 1 1 d . . . . . C30 C 0.72291(16) 0.74038(16) 0.20785(15) 0.0189(6) Uani 1 1 d . . . . . C37 C 0.68155(15) 0.73065(17) 0.45222(15) 0.0171(6) Uani 1 1 d . . . . . C23 C 0.76568(16) 0.68796(17) 0.30605(16) 0.0209(7) Uani 1 1 d . . . . . C51 C 0.67100(16) 0.91041(16) 0.30823(14) 0.0170(6) Uani 1 1 d . . . . . C32 C 0.67953(17) 0.53421(17) 0.37169(15) 0.0214(7) Uani 1 1 d . . . . . H32 H 0.710185 0.549113 0.337078 0.026 Uiso 1 1 calc R U . . . C46 C 0.65097(16) 0.97232(17) 0.34546(15) 0.0207(7) Uani 1 1 d . . . . . C50 C 0.73572(16) 0.90647(17) 0.27801(15) 0.0202(7) Uani 1 1 d . . . . . H50 H 0.750385 0.863169 0.255385 0.024 Uiso 1 1 calc R U . . . C38 C 0.68153(17) 0.70299(18) 0.51826(16) 0.0226(7) Uani 1 1 d . . . . . H38 H 0.658119 0.658164 0.527718 0.027 Uiso 1 1 calc R U . . . C31 C 0.63877(15) 0.58629(16) 0.40431(14) 0.0156(6) Uani 1 1 d . . . . . C21 C 0.33833(18) 0.84056(19) 0.21478(16) 0.0260(7) Uani 1 1 d . . . . . H21 H 0.366188 0.858389 0.179103 0.031 Uiso 1 1 calc R U . . . C63 C 0.50519(17) 0.74034(18) 0.51424(16) 0.0220(7) Uani 1 1 d . . . . . H63 H 0.480784 0.704423 0.488161 0.026 Uiso 1 1 calc R U . . . C8 C 0.63094(16) 0.91071(17) 0.13985(15) 0.0216(7) Uani 1 1 d . . . . . H8 H 0.664998 0.914504 0.175114 0.026 Uiso 1 1 calc R U . . . C1 C 0.48965(17) 0.78281(17) 0.17681(15) 0.0200(7) Uani 1 1 d . . . . . C35 C 0.59075(16) 0.48962(18) 0.47293(16) 0.0218(7) Uani 1 1 d . . . . . H35 H 0.560663 0.474299 0.507857 0.026 Uiso 1 1 calc R U . . . C36 C 0.59371(16) 0.56324(17) 0.45468(15) 0.0197(6) Uani 1 1 d . . . . . H36 H 0.564941 0.598146 0.476565 0.024 Uiso 1 1 calc R U . . . C57 C 0.38129(17) 0.8492(2) 0.45336(17) 0.0309(8) Uani 1 1 d . . . . . H57 H 0.391869 0.809502 0.483059 0.037 Uiso 1 1 calc R U . . . C58 C 0.53096(16) 0.80324(17) 0.48343(15) 0.0178(6) Uani 1 1 d . . . . . C53 C 0.40941(19) 0.92327(19) 0.35779(19) 0.0313(8) Uani 1 1 d . . . . . H53 H 0.438464 0.934712 0.320858 0.038 Uiso 1 1 calc R U . . . C22 C 0.69665(16) 0.70168(16) 0.31360(15) 0.0174(6) Uani 1 1 d . . . . . C10 C 0.41060(16) 0.64971(17) 0.19734(15) 0.0207(7) Uani 1 1 d . . . . . C42 C 0.71716(17) 0.79580(18) 0.43980(17) 0.0232(7) Uani 1 1 d . . . . . H42 H 0.718190 0.814978 0.395164 0.028 Uiso 1 1 calc R U . . . C25 C 0.78326(17) 0.71200(16) 0.23925(17) 0.0219(7) Uani 1 1 d . . . . . C62 C 0.51531(18) 0.7301(2) 0.58367(16) 0.0282(8) Uani 1 1 d . . . . . H62 H 0.497744 0.687126 0.604752 0.034 Uiso 1 1 calc R U . . . C34 C 0.63139(17) 0.43876(17) 0.44046(16) 0.0234(7) Uani 1 1 d . . . . . H34 H 0.629224 0.388319 0.452979 0.028 Uiso 1 1 calc R U . . . C4 C 0.52412(17) 0.85736(19) 0.09304(16) 0.0236(7) Uani 1 1 d . . . . . C17 C 0.32300(17) 0.76145(19) 0.31032(16) 0.0246(7) Uani 1 1 d . . . . . H17 H 0.340711 0.725251 0.340729 0.030 Uiso 1 1 calc R U . . . C15 C 0.35573(18) 0.60938(18) 0.22430(17) 0.0268(7) Uani 1 1 d . . . . . H15 H 0.333242 0.626706 0.263627 0.032 Uiso 1 1 calc R U . . . C2 C 0.47116(18) 0.8074(2) 0.11358(16) 0.0258(7) Uani 1 1 d . . . . . C49 C 0.77786(18) 0.96801(18) 0.28217(16) 0.0253(7) Uani 1 1 d . . . . . H49 H 0.822378 0.966711 0.261934 0.030 Uiso 1 1 calc R U . . . C14 C 0.3340(2) 0.5449(2) 0.19448(19) 0.0358(9) Uani 1 1 d . . . . . H14 H 0.297265 0.517378 0.213769 0.043 Uiso 1 1 calc R U . . . C40 C 0.74998(18) 0.8061(2) 0.55696(18) 0.0303(8) Uani 1 1 d . . . . . H40 H 0.772646 0.832137 0.592702 0.036 Uiso 1 1 calc R U . . . C33 C 0.67532(17) 0.46069(17) 0.38976(16) 0.0242(7) Uani 1 1 d . . . . . H33 H 0.702803 0.425172 0.367154 0.029 Uiso 1 1 calc R U . . . C59 C 0.56830(17) 0.85492(18) 0.52164(15) 0.0223(7) Uani 1 1 d . . . . . H59 H 0.587014 0.897504 0.500785 0.027 Uiso 1 1 calc R U . . . C20 C 0.27392(18) 0.8715(2) 0.22592(18) 0.0300(8) Uani 1 1 d . . . . . H20 H 0.257401 0.910192 0.197571 0.036 Uiso 1 1 calc R U . . . C39 C 0.71567(19) 0.7410(2) 0.56993(17) 0.0306(8) Uani 1 1 d . . . . . H39 H 0.715412 0.721938 0.614646 0.037 Uiso 1 1 calc R U . . . C29 C 0.72170(19) 0.76189(18) 0.13977(17) 0.0262(7) Uani 1 1 d . . . . . H29 H 0.680144 0.778917 0.118148 0.031 Uiso 1 1 calc R U . . . C48 C 0.75720(18) 1.03163(19) 0.31497(17) 0.0294(8) Uani 1 1 d . . . . . H48 H 0.786493 1.073798 0.314568 0.035 Uiso 1 1 calc R U . . . C18 C 0.25811(19) 0.79200(19) 0.32067(18) 0.0300(8) Uani 1 1 d . . . . . H18 H 0.230521 0.775507 0.357077 0.036 Uiso 1 1 calc R U . . . C19 C 0.23347(19) 0.8466(2) 0.27791(18) 0.0316(8) Uani 1 1 d . . . . . H19 H 0.188507 0.867047 0.284420 0.038 Uiso 1 1 calc R U . . . C47 C 0.69451(19) 1.03449(18) 0.34825(17) 0.0286(8) Uani 1 1 d . . . . . H47 H 0.681235 1.077334 0.372372 0.034 Uiso 1 1 calc R U . . . C41 C 0.75122(18) 0.8331(2) 0.49197(18) 0.0298(8) Uani 1 1 d . . . . . H41 H 0.775483 0.877538 0.482789 0.036 Uiso 1 1 calc R U . . . C24 C 0.81537(18) 0.6542(2) 0.35567(19) 0.0333(8) Uani 1 1 d . . . . . H24A H 0.790605 0.641326 0.396918 0.050 Uiso 1 1 calc R U . . . H24B H 0.852594 0.689400 0.366640 0.050 Uiso 1 1 calc R U . . . H24C H 0.835618 0.609659 0.336114 0.050 Uiso 1 1 calc R U . . . C45 C 0.54973(19) 1.00955(18) 0.42256(18) 0.0289(8) Uani 1 1 d . . . . . H45A H 0.506938 0.986899 0.439122 0.043 Uiso 1 1 calc R U . . . H45B H 0.537937 1.053884 0.396546 0.043 Uiso 1 1 calc R U . . . H45C H 0.580047 1.022878 0.461018 0.043 Uiso 1 1 calc R U . . . C61 C 0.5504(2) 0.7817(2) 0.62153(17) 0.0317(8) Uani 1 1 d . . . . . H61 H 0.555970 0.775227 0.668962 0.038 Uiso 1 1 calc R U . . . C13 C 0.3655(2) 0.5199(2) 0.1363(2) 0.0402(9) Uani 1 1 d . . . . . H13 H 0.350346 0.475303 0.115594 0.048 Uiso 1 1 calc R U . . . C7 C 0.63521(19) 0.95326(19) 0.08197(17) 0.0281(8) Uani 1 1 d . . . . . H7 H 0.673088 0.986471 0.077443 0.034 Uiso 1 1 calc R U . . . C11 C 0.4414(2) 0.6240(2) 0.13919(18) 0.0344(8) Uani 1 1 d . . . . . H11 H 0.478698 0.650693 0.119815 0.041 Uiso 1 1 calc R U . . . C60 C 0.57776(19) 0.8433(2) 0.59057(17) 0.0311(8) Uani 1 1 d . . . . . H60 H 0.603378 0.878128 0.616811 0.037 Uiso 1 1 calc R U . . . C5 C 0.52995(19) 0.9013(2) 0.03462(17) 0.0302(8) Uani 1 1 d . . . . . H5 H 0.496180 0.898161 -0.000947 0.036 Uiso 1 1 calc R U . . . C54 C 0.3486(2) 0.9643(2) 0.3691(2) 0.0454(11) Uani 1 1 d . . . . . H54 H 0.337095 1.004271 0.339969 0.054 Uiso 1 1 calc R U . . . C6 C 0.58524(19) 0.9484(2) 0.03027(17) 0.0319(8) Uani 1 1 d . . . . . H6 H 0.589631 0.978483 -0.008730 0.038 Uiso 1 1 calc R U . . . C28 C 0.7832(2) 0.75721(19) 0.10589(18) 0.0316(8) Uani 1 1 d . . . . . H28 H 0.784015 0.771538 0.059733 0.038 Uiso 1 1 calc R U . . . C56 C 0.3210(2) 0.8899(3) 0.4624(2) 0.0467(12) Uani 1 1 d . . . . . H56 H 0.290141 0.877477 0.497650 0.056 Uiso 1 1 calc R U . . . C12 C 0.4180(2) 0.5593(2) 0.1091(2) 0.0445(10) Uani 1 1 d . . . . . H12 H 0.439081 0.542391 0.068894 0.053 Uiso 1 1 calc R U . . . C64 C 0.4725(2) 0.4638(2) 0.3115(2) 0.0361(9) Uani 1 1 d . . . . . H64A H 0.461409 0.506033 0.281539 0.043 Uiso 1 1 calc R U . . . H64B H 0.502986 0.481947 0.348841 0.043 Uiso 1 1 calc R U . . . C27 C 0.8449(2) 0.7320(2) 0.13702(19) 0.0332(8) Uani 1 1 d . . . . . H27 H 0.886823 0.730546 0.112146 0.040 Uiso 1 1 calc R U . . . C3 C 0.4089(2) 0.7882(2) 0.07052(18) 0.0361(9) Uani 1 1 d . . . . . H3A H 0.376732 0.758083 0.096707 0.054 Uiso 1 1 calc R U . . . H3B H 0.423929 0.760448 0.030866 0.054 Uiso 1 1 calc R U . . . H3C H 0.385341 0.833440 0.055769 0.054 Uiso 1 1 calc R U . . . C26 C 0.84520(18) 0.70955(18) 0.20277(19) 0.0289(8) Uani 1 1 d . . . . . H26 H 0.887057 0.692370 0.223725 0.035 Uiso 1 1 calc R U . . . C55 C 0.3061(2) 0.9477(3) 0.4208(2) 0.0514(12) Uani 1 1 d . . . . . H55 H 0.265669 0.976627 0.428181 0.062 Uiso 1 1 calc R U . . . C65 C 0.2304(2) 0.0565(2) 0.0923(2) 0.0465(10) Uani 1 1 d . . . . . H65A H 0.179903 0.058842 0.081434 0.056 Uiso 1 1 calc R U . . . H65B H 0.235817 0.056704 0.142164 0.056 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 RU1 0.01126(15) 0.01311(15) 0.01348(14) 0.00163(8) 0.00183(10) -0.00043(8) CL1 0.0174(4) 0.0207(4) 0.0223(4) 0.0069(3) 0.0022(3) -0.0037(3) CL2 0.0205(4) 0.0183(4) 0.0209(4) -0.0037(3) 0.0020(3) -0.0003(3) P4 0.0125(4) 0.0146(4) 0.0131(4) 0.0005(3) 0.0009(3) -0.0004(3) P1 0.0134(4) 0.0202(4) 0.0174(4) 0.0029(3) -0.0004(3) -0.0033(3) P3 0.0135(4) 0.0162(4) 0.0151(4) 0.0007(3) 0.0020(3) 0.0013(3) P2 0.0127(4) 0.0151(4) 0.0149(4) 0.0017(3) 0.0018(3) 0.0015(3) CL4 0.0311(5) 0.0379(5) 0.0514(6) 0.0107(4) 0.0023(4) -0.0063(4) CL6 0.0426(6) 0.0407(5) 0.0424(5) 0.0070(4) 0.0117(4) -0.0006(4) CL3 0.1047(11) 0.0427(6) 0.0789(9) 0.0037(6) 0.0569(8) 0.0115(7) CL5 0.0819(10) 0.0513(7) 0.0730(8) -0.0061(6) 0.0059(7) -0.0038(6) N1 0.0164(13) 0.0213(13) 0.0150(12) 0.0043(10) 0.0001(10) -0.0039(11) N2 0.0137(13) 0.0177(13) 0.0189(13) 0.0009(10) 0.0035(10) 0.0008(10) N3 0.0135(13) 0.0153(12) 0.0168(12) 0.0006(10) 0.0010(10) -0.0017(10) C43 0.0137(15) 0.0174(15) 0.0188(14) -0.0006(12) 0.0017(12) 0.0019(12) C16 0.0142(16) 0.0219(16) 0.0197(15) 0.0004(12) -0.0036(12) -0.0018(12) C9 0.0191(16) 0.0199(15) 0.0156(14) 0.0051(12) 0.0025(12) 0.0007(13) C52 0.0175(16) 0.0223(16) 0.0213(15) -0.0046(12) -0.0039(12) 0.0033(13) C44 0.0197(16) 0.0184(15) 0.0215(15) 0.0002(12) -0.0004(12) 0.0007(13) C30 0.0192(16) 0.0143(15) 0.0236(16) -0.0014(12) 0.0099(13) -0.0035(12) C37 0.0112(15) 0.0195(15) 0.0204(15) -0.0013(12) -0.0015(12) 0.0045(12) C23 0.0150(16) 0.0200(16) 0.0278(16) -0.0014(13) 0.0031(13) -0.0012(13) C51 0.0177(16) 0.0167(15) 0.0164(14) 0.0035(11) -0.0022(12) -0.0030(12) C32 0.0226(17) 0.0218(16) 0.0199(15) 0.0035(12) 0.0044(13) 0.0022(13) C46 0.0211(17) 0.0179(15) 0.0229(16) 0.0031(12) -0.0023(13) -0.0033(13) C50 0.0207(17) 0.0205(16) 0.0195(15) 0.0024(12) 0.0006(12) -0.0041(13) C38 0.0237(18) 0.0209(16) 0.0233(16) 0.0004(13) 0.0004(13) 0.0070(13) C31 0.0128(15) 0.0177(15) 0.0162(14) 0.0010(11) -0.0025(11) 0.0003(12) C21 0.0270(19) 0.0278(18) 0.0231(16) 0.0043(13) -0.0028(14) -0.0019(14) C63 0.0200(16) 0.0244(17) 0.0217(16) 0.0027(13) 0.0031(13) 0.0069(13) C8 0.0184(16) 0.0260(17) 0.0202(15) 0.0039(13) 0.0009(13) -0.0025(13) C1 0.0166(16) 0.0251(17) 0.0182(16) 0.0019(12) -0.0028(12) -0.0041(13) C35 0.0150(15) 0.0258(17) 0.0246(16) 0.0077(13) 0.0008(12) -0.0030(13) C36 0.0146(16) 0.0248(17) 0.0197(15) 0.0013(12) -0.0007(12) 0.0016(13) C57 0.0152(17) 0.051(2) 0.0268(17) -0.0044(16) 0.0028(14) 0.0065(15) C58 0.0149(15) 0.0226(16) 0.0160(14) -0.0002(12) 0.0035(12) 0.0088(12) C53 0.0286(19) 0.0243(18) 0.041(2) 0.0017(15) -0.0097(16) -0.0005(15) C22 0.0209(17) 0.0153(14) 0.0161(15) 0.0008(11) 0.0021(12) 0.0002(12) C10 0.0169(16) 0.0212(16) 0.0236(16) 0.0028(13) -0.0077(12) -0.0029(13) C42 0.0203(17) 0.0248(17) 0.0244(17) 0.0009(13) -0.0029(14) 0.0013(13) C25 0.0196(17) 0.0168(16) 0.0295(18) -0.0003(12) 0.0054(14) 0.0007(12) C62 0.0273(19) 0.0365(19) 0.0211(17) 0.0104(15) 0.0071(14) 0.0091(15) C34 0.0259(18) 0.0146(15) 0.0296(17) 0.0053(13) -0.0027(14) 0.0003(13) C4 0.0172(16) 0.0325(18) 0.0210(16) 0.0062(14) 0.0000(13) -0.0025(14) C17 0.0211(17) 0.0277(18) 0.0251(17) 0.0076(14) -0.0026(13) -0.0026(14) C15 0.0299(19) 0.0248(17) 0.0257(17) 0.0033(13) -0.0025(14) -0.0050(15) C2 0.0231(18) 0.0341(19) 0.0202(16) 0.0062(14) -0.0012(13) -0.0047(15) C49 0.0215(17) 0.0294(18) 0.0250(16) 0.0039(14) -0.0003(13) -0.0073(14) C14 0.033(2) 0.030(2) 0.045(2) 0.0062(16) -0.0082(17) -0.0117(16) C40 0.0221(18) 0.036(2) 0.0323(19) -0.0116(16) -0.0109(15) 0.0080(15) C33 0.0272(18) 0.0185(16) 0.0269(17) -0.0038(13) 0.0030(14) 0.0051(14) C59 0.0219(17) 0.0240(17) 0.0208(15) -0.0003(13) -0.0022(13) 0.0089(14) C20 0.0277(19) 0.0309(19) 0.0312(18) 0.0044(15) -0.0065(15) 0.0108(15) C39 0.0275(19) 0.041(2) 0.0235(17) 0.0001(15) -0.0065(14) 0.0130(16) C29 0.0294(19) 0.0243(17) 0.0250(17) 0.0026(14) 0.0073(14) -0.0004(14) C48 0.031(2) 0.0224(17) 0.0347(19) 0.0030(14) 0.0002(15) -0.0142(15) C18 0.0228(19) 0.035(2) 0.0323(19) 0.0053(15) 0.0063(15) 0.0059(15) C19 0.0235(18) 0.035(2) 0.0366(19) -0.0012(16) 0.0003(15) 0.0091(15) C47 0.034(2) 0.0160(16) 0.0356(19) 0.0001(14) 0.0006(15) -0.0037(14) C41 0.0215(18) 0.0280(18) 0.040(2) -0.0035(15) -0.0052(15) -0.0035(14) C24 0.0203(18) 0.038(2) 0.041(2) 0.0082(17) 0.0004(15) 0.0052(16) C45 0.0319(19) 0.0192(17) 0.0357(19) -0.0058(14) 0.0050(15) -0.0001(14) C61 0.032(2) 0.046(2) 0.0180(16) 0.0021(15) -0.0006(15) 0.0142(16) C13 0.039(2) 0.030(2) 0.051(2) -0.0115(18) -0.0157(19) -0.0050(17) C7 0.0280(19) 0.0287(18) 0.0277(17) 0.0060(14) 0.0052(14) -0.0054(15) C11 0.029(2) 0.043(2) 0.0315(19) -0.0102(16) 0.0022(15) -0.0075(17) C60 0.0280(19) 0.036(2) 0.0292(18) -0.0076(15) -0.0069(15) 0.0124(16) C5 0.0281(19) 0.042(2) 0.0199(16) 0.0109(15) -0.0049(14) -0.0028(16) C54 0.035(2) 0.025(2) 0.075(3) -0.0038(19) -0.025(2) 0.0119(17) C6 0.032(2) 0.043(2) 0.0207(16) 0.0167(15) 0.0050(14) -0.0007(16) C28 0.041(2) 0.0263(18) 0.0280(18) 0.0019(14) 0.0200(16) -0.0014(16) C56 0.022(2) 0.083(3) 0.035(2) -0.025(2) -0.0032(16) 0.014(2) C12 0.043(2) 0.051(3) 0.039(2) -0.0241(19) 0.0010(18) -0.007(2) C64 0.033(2) 0.032(2) 0.044(2) -0.0022(17) 0.0047(17) -0.0015(16) C27 0.029(2) 0.0313(19) 0.040(2) -0.0022(16) 0.0201(16) -0.0049(16) C3 0.026(2) 0.057(3) 0.0247(18) 0.0121(16) -0.0090(15) -0.0137(17) C26 0.0190(18) 0.0268(18) 0.041(2) -0.0028(15) 0.0079(15) 0.0000(14) C55 0.023(2) 0.065(3) 0.066(3) -0.035(2) -0.011(2) 0.023(2) C65 0.042(2) 0.046(3) 0.051(2) -0.001(2) -0.004(2) 0.004(2) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' P P 0.1023 0.0942 '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' Ru Ru -1.2594 0.8363 '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 P4 RU1 P3 85.62(3) . . P4 RU1 P1 86.13(3) . . P3 RU1 P1 101.30(3) . . P4 RU1 P2 80.63(3) . . P3 RU1 P2 93.60(3) . . P1 RU1 P2 159.24(3) . . P4 RU1 CL2 88.63(3) . . P3 RU1 CL2 171.95(3) . . P1 RU1 CL2 83.90(3) . . P2 RU1 CL2 79.88(3) . . P4 RU1 CL1 175.61(3) . . P3 RU1 CL1 97.05(3) . . P1 RU1 CL1 89.92(3) . . P2 RU1 CL1 102.60(3) . . CL2 RU1 CL1 89.04(3) . . N3 P4 N2 103.09(12) . . N3 P4 N1 107.03(12) . . N2 P4 N1 110.53(12) . . N3 P4 RU1 110.99(8) . . N2 P4 RU1 110.64(9) . . N1 P4 RU1 113.96(9) . . C1 P1 C16 105.90(15) . . C1 P1 C10 104.45(14) . . C16 P1 C10 101.77(14) . . C1 P1 RU1 104.74(11) . . C16 P1 RU1 121.59(10) . . C10 P1 RU1 116.83(10) . . C43 P3 C52 103.94(14) . . C43 P3 C58 106.22(14) . . C52 P3 C58 99.18(13) . . C43 P3 RU1 105.48(10) . . C52 P3 RU1 125.78(10) . . C58 P3 RU1 114.55(10) . . C31 P2 C22 109.48(13) . . C31 P2 C37 104.39(13) . . C22 P2 C37 99.60(14) . . C31 P2 RU1 110.79(10) . . C22 P2 RU1 101.47(10) . . C37 P2 RU1 129.45(10) . . C9 N1 C1 106.9(2) . . C9 N1 P4 136.4(2) . . C1 N1 P4 116.6(2) . . C30 N2 C22 107.2(2) . . C30 N2 P4 138.5(2) . . C22 N2 P4 111.73(19) . . C51 N3 C43 107.7(2) . . C51 N3 P4 134.8(2) . . C43 N3 P4 115.44(19) . . C44 C43 N3 109.2(3) . . C44 C43 P3 135.6(2) . . N3 C43 P3 114.2(2) . . C21 C16 C17 118.9(3) . . C21 C16 P1 124.5(2) . . C17 C16 P1 116.6(2) . . C8 C9 N1 131.1(3) . . C8 C9 C4 121.2(3) . . N1 C9 C4 107.7(3) . . C53 C52 C57 118.7(3) . . C53 C52 P3 120.8(3) . . C57 C52 P3 120.5(3) . . C43 C44 C46 106.4(3) . . C43 C44 C45 129.6(3) . . C46 C44 C45 123.9(3) . . N2 C30 C29 130.2(3) . . N2 C30 C25 107.8(3) . . C29 C30 C25 121.8(3) . . C42 C37 C38 118.6(3) . . C42 C37 P2 119.4(2) . . C38 C37 P2 122.0(2) . . C22 C23 C25 106.9(3) . . C22 C23 C24 128.1(3) . . C25 C23 C24 125.0(3) . . C50 C51 C46 121.5(3) . . C50 C51 N3 130.6(3) . . C46 C51 N3 107.5(3) . . C33 C32 C31 119.9(3) . . C33 C32 H32 120.0 . . C31 C32 H32 120.0 . . C51 C46 C47 119.8(3) . . C51 C46 C44 108.9(3) . . C47 C46 C44 131.2(3) . . C49 C50 C51 117.4(3) . . C49 C50 H50 121.3 . . C51 C50 H50 121.3 . . C39 C38 C37 120.1(3) . . C39 C38 H38 120.0 . . C37 C38 H38 120.0 . . C32 C31 C36 119.2(3) . . C32 C31 P2 124.2(2) . . C36 C31 P2 116.5(2) . . C20 C21 C16 120.3(3) . . C20 C21 H21 119.8 . . C16 C21 H21 119.8 . . C58 C63 C62 119.8(3) . . C58 C63 H63 120.1 . . C62 C63 H63 120.1 . . C7 C8 C9 117.7(3) . . C7 C8 H8 121.1 . . C9 C8 H8 121.1 . . C2 C1 N1 109.3(3) . . C2 C1 P1 133.2(3) . . N1 C1 P1 116.9(2) . . C34 C35 C36 120.0(3) . . C34 C35 H35 120.0 . . C36 C35 H35 120.0 . . C35 C36 C31 120.3(3) . . C35 C36 H36 119.9 . . C31 C36 H36 119.9 . . C52 C57 C56 120.8(4) . . C52 C57 H57 119.6 . . C56 C57 H57 119.6 . . C63 C58 C59 119.9(3) . . C63 C58 P3 116.6(2) . . C59 C58 P3 123.4(2) . . C52 C53 C54 119.2(4) . . C52 C53 H53 120.4 . . C54 C53 H53 120.4 . . C23 C22 N2 109.6(3) . . C23 C22 P2 133.4(2) . . N2 C22 P2 117.0(2) . . C11 C10 C15 118.5(3) . . C11 C10 P1 121.3(3) . . C15 C10 P1 120.1(2) . . C41 C42 C37 120.7(3) . . C41 C42 H42 119.7 . . C37 C42 H42 119.7 . . C26 C25 C30 119.0(3) . . C26 C25 C23 132.7(3) . . C30 C25 C23 108.3(3) . . C61 C62 C63 120.4(3) . . C61 C62 H62 119.8 . . C63 C62 H62 119.8 . . C35 C34 C33 120.3(3) . . C35 C34 H34 119.9 . . C33 C34 H34 119.9 . . C9 C4 C5 119.8(3) . . C9 C4 C2 108.8(3) . . C5 C4 C2 131.3(3) . . C18 C17 C16 120.4(3) . . C18 C17 H17 119.8 . . C16 C17 H17 119.8 . . C14 C15 C10 120.6(3) . . C14 C15 H15 119.7 . . C10 C15 H15 119.7 . . C1 C2 C4 107.1(3) . . C1 C2 C3 129.4(3) . . C4 C2 C3 123.5(3) . . C50 C49 C48 122.0(3) . . C50 C49 H49 119.0 . . C48 C49 H49 119.0 . . C15 C14 C13 120.2(3) . . C15 C14 H14 119.9 . . C13 C14 H14 119.9 . . C41 C40 C39 119.7(3) . . C41 C40 H40 120.1 . . C39 C40 H40 120.1 . . C34 C33 C32 120.3(3) . . C34 C33 H33 119.8 . . C32 C33 H33 119.8 . . C60 C59 C58 119.1(3) . . C60 C59 H59 120.4 . . C58 C59 H59 120.4 . . C21 C20 C19 120.3(3) . . C21 C20 H20 119.8 . . C19 C20 H20 119.8 . . C40 C39 C38 120.6(3) . . C40 C39 H39 119.7 . . C38 C39 H39 119.7 . . C28 C29 C30 116.9(3) . . C28 C29 H29 121.5 . . C30 C29 H29 121.5 . . C47 C48 C49 120.8(3) . . C47 C48 H48 119.6 . . C49 C48 H48 119.6 . . C19 C18 C17 119.8(3) . . C19 C18 H18 120.1 . . C17 C18 H18 120.1 . . C20 C19 C18 120.1(3) . . C20 C19 H19 119.9 . . C18 C19 H19 119.9 . . C48 C47 C46 118.2(3) . . C48 C47 H47 120.9 . . C46 C47 H47 120.9 . . C40 C41 C42 120.3(3) . . C40 C41 H41 119.9 . . C42 C41 H41 119.9 . . C23 C24 H24A 109.5 . . C23 C24 H24B 109.5 . . H24A C24 H24B 109.5 . . C23 C24 H24C 109.5 . . H24A C24 H24C 109.5 . . H24B C24 H24C 109.5 . . C44 C45 H45A 109.5 . . C44 C45 H45B 109.5 . . H45A C45 H45B 109.5 . . C44 C45 H45C 109.5 . . H45A C45 H45C 109.5 . . H45B C45 H45C 109.5 . . C62 C61 C60 119.8(3) . . C62 C61 H61 120.1 . . C60 C61 H61 120.1 . . C12 C13 C14 119.6(3) . . C12 C13 H13 120.2 . . C14 C13 H13 120.2 . . C8 C7 C6 121.5(3) . . C8 C7 H7 119.2 . . C6 C7 H7 119.2 . . C10 C11 C12 120.1(3) . . C10 C11 H11 119.9 . . C12 C11 H11 119.9 . . C61 C60 C59 120.9(3) . . C61 C60 H60 119.5 . . C59 C60 H60 119.5 . . C6 C5 C4 118.6(3) . . C6 C5 H5 120.7 . . C4 C5 H5 120.7 . . C55 C54 C53 121.0(4) . . C55 C54 H54 119.5 . . C53 C54 H54 119.5 . . C5 C6 C7 121.2(3) . . C5 C6 H6 119.4 . . C7 C6 H6 119.4 . . C29 C28 C27 122.2(3) . . C29 C28 H28 118.9 . . C27 C28 H28 118.9 . . C55 C56 C57 120.0(4) . . C55 C56 H56 120.0 . . C57 C56 H56 120.0 . . C13 C12 C11 121.0(4) . . C13 C12 H12 119.5 . . C11 C12 H12 119.5 . . CL3 C64 CL4 111.8(2) . . CL3 C64 H64A 109.3 . . CL4 C64 H64A 109.3 . . CL3 C64 H64B 109.3 . . CL4 C64 H64B 109.3 . . H64A C64 H64B 107.9 . . C26 C27 C28 120.4(3) . . C26 C27 H27 119.8 . . C28 C27 H27 119.8 . . C2 C3 H3A 109.5 . . C2 C3 H3B 109.5 . . H3A C3 H3B 109.5 . . C2 C3 H3C 109.5 . . H3A C3 H3C 109.5 . . H3B C3 H3C 109.5 . . C27 C26 C25 119.5(3) . . C27 C26 H26 120.2 . . C25 C26 H26 120.2 . . C54 C55 C56 120.4(4) . . C54 C55 H55 119.8 . . C56 C55 H55 119.8 . . CL5 C65 CL6 114.8(2) . . CL5 C65 H65A 108.6 . . CL6 C65 H65A 108.6 . . CL5 C65 H65B 108.6 . . CL6 C65 H65B 108.6 . . H65A C65 H65B 107.5 . . loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 RU1 P4 2.1363(8) . RU1 P3 2.2913(8) . RU1 P1 2.3295(8) . RU1 P2 2.4079(8) . RU1 CL2 2.4705(7) . RU1 CL1 2.4829(7) . P4 N3 1.702(2) . P4 N2 1.706(3) . P4 N1 1.709(3) . P1 C1 1.817(3) . P1 C16 1.835(3) . P1 C10 1.835(3) . P3 C43 1.827(3) . P3 C52 1.831(3) . P3 C58 1.847(3) . P2 C31 1.823(3) . P2 C22 1.834(3) . P2 C37 1.849(3) . CL4 C64 1.761(4) . CL6 C65 1.769(4) . CL3 C64 1.756(4) . CL5 C65 1.746(5) . N1 C9 1.402(4) . N1 C1 1.437(4) . N2 C30 1.391(4) . N2 C22 1.432(4) . N3 C51 1.402(4) . N3 C43 1.428(4) . C43 C44 1.382(4) . C16 C21 1.389(4) . C16 C17 1.395(4) . C9 C8 1.393(4) . C9 C4 1.403(4) . C52 C53 1.387(5) . C52 C57 1.392(5) . C44 C46 1.439(4) . C44 C45 1.486(4) . C30 C29 1.402(4) . C30 C25 1.402(5) . C37 C42 1.390(5) . C37 C38 1.400(4) . C23 C22 1.359(4) . C23 C25 1.438(5) . C23 C24 1.488(5) . C51 C50 1.389(4) . C51 C46 1.402(4) . C32 C33 1.385(4) . C32 C31 1.393(4) . C32 H32 0.9500 . C46 C47 1.405(5) . C50 C49 1.381(5) . C50 H50 0.9500 . C38 C39 1.388(5) . C38 H38 0.9500 . C31 C36 1.395(4) . C21 C20 1.379(5) . C21 H21 0.9500 . C63 C58 1.390(5) . C63 C62 1.396(4) . C63 H63 0.9500 . C8 C7 1.385(4) . C8 H8 0.9500 . C1 C2 1.370(4) . C35 C34 1.375(5) . C35 C36 1.386(4) . C35 H35 0.9500 . C36 H36 0.9500 . C57 C56 1.387(5) . C57 H57 0.9500 . C58 C59 1.395(5) . C53 C54 1.406(5) . C53 H53 0.9500 . C10 C11 1.384(5) . C10 C15 1.396(5) . C42 C41 1.389(5) . C42 H42 0.9500 . C25 C26 1.402(5) . C62 C61 1.369(5) . C62 H62 0.9500 . C34 C33 1.380(5) . C34 H34 0.9500 . C4 C5 1.411(4) . C4 C2 1.426(5) . C17 C18 1.382(5) . C17 H17 0.9500 . C15 C14 1.373(5) . C15 H15 0.9500 . C2 C3 1.496(5) . C49 C48 1.387(5) . C49 H49 0.9500 . C14 C13 1.387(6) . C14 H14 0.9500 . C40 C41 1.377(5) . C40 C39 1.380(5) . C40 H40 0.9500 . C33 H33 0.9500 . C59 C60 1.389(5) . C59 H59 0.9500 . C20 C19 1.376(5) . C20 H20 0.9500 . C39 H39 0.9500 . C29 C28 1.370(5) . C29 H29 0.9500 . C48 C47 1.382(5) . C48 H48 0.9500 . C18 C19 1.382(5) . C18 H18 0.9500 . C19 H19 0.9500 . C47 H47 0.9500 . C41 H41 0.9500 . C24 H24A 0.9800 . C24 H24B 0.9800 . C24 H24C 0.9800 . C45 H45A 0.9800 . C45 H45B 0.9800 . C45 H45C 0.9800 . C61 C60 1.383(5) . C61 H61 0.9500 . C13 C12 1.355(6) . C13 H13 0.9500 . C7 C6 1.392(5) . C7 H7 0.9500 . C11 C12 1.389(5) . C11 H11 0.9500 . C60 H60 0.9500 . C5 C6 1.367(5) . C5 H5 0.9500 . C54 C55 1.354(7) . C54 H54 0.9500 . C6 H6 0.9500 . C28 C27 1.403(6) . C28 H28 0.9500 . C56 C55 1.361(7) . C56 H56 0.9500 . C12 H12 0.9500 . C64 H64A 0.9900 . C64 H64B 0.9900 . C27 C26 1.363(5) . C27 H27 0.9500 . C3 H3A 0.9800 . C3 H3B 0.9800 . C3 H3C 0.9800 . C26 H26 0.9500 . C55 H55 0.9500 . C65 H65A 0.9900 . C65 H65B 0.9900 .