#------------------------------------------------------------------------------ #$Date: 2022-04-03 20:26:38 +0100 (Sun, 03 Apr 2022) $ #$Revision: 274248 $ #$URL: svn://www.crystallography.net/cod/cif/4/51/93/4519392.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_4519392 loop_ _publ_author_name 'de Vries, Folkert' 'Otten, Edwin' _publ_section_title ; Reversible On/Off Switching of Lactide Cyclopolymerization with a Redox-Active Formazanate Ligand ; _journal_issue 7 _journal_name_full 'ACS Catalysis' _journal_page_first 4125 _journal_page_last 4130 _journal_paper_doi 10.1021/acscatal.1c05689 _journal_volume 12 _journal_year 2022 _chemical_formula_sum 'C53 H59 Cl2 Co N4 O2 Zn' _chemical_formula_weight 979.24 _space_group_crystal_system triclinic _space_group_IT_number 2 _space_group_name_Hall '-P 1' _space_group_name_H-M_alt 'P -1' _atom_sites_solution_hydrogens geom _atom_sites_solution_primary dual _audit_creation_method SHELXL-2018/1 _cell_angle_alpha 103.4640(10) _cell_angle_beta 93.1180(10) _cell_angle_gamma 103.0100(10) _cell_formula_units_Z 2 _cell_length_a 10.7552(3) _cell_length_b 11.5789(3) _cell_length_c 21.0514(5) _cell_measurement_reflns_used 9994 _cell_measurement_temperature 100(2) _cell_measurement_theta_max 74.34 _cell_measurement_theta_min 4.05 _cell_volume 2468.27(11) _computing_cell_refinement 'Bruker SAINT' _computing_data_collection 'Bruker APEX2' _computing_data_reduction 'Bruker SAINT' _computing_structure_refinement 'SHELXL-2018/1 (Sheldrick, 2018)' _computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)' _diffrn_ambient_temperature 100(2) _diffrn_measured_fraction_theta_full 0.996 _diffrn_measured_fraction_theta_max 0.994 _diffrn_measurement_device_type 'Bruker APEX-II CCD' _diffrn_measurement_method '\f and \w scans' _diffrn_radiation_type CuK\a _diffrn_radiation_wavelength 1.54178 _diffrn_reflns_av_R_equivalents 0.0479 _diffrn_reflns_av_unetI/netI 0.0226 _diffrn_reflns_Laue_measured_fraction_full 0.996 _diffrn_reflns_Laue_measured_fraction_max 0.994 _diffrn_reflns_limit_h_max 13 _diffrn_reflns_limit_h_min -13 _diffrn_reflns_limit_k_max 13 _diffrn_reflns_limit_k_min -14 _diffrn_reflns_limit_l_max 26 _diffrn_reflns_limit_l_min -26 _diffrn_reflns_number 90473 _diffrn_reflns_point_group_measured_fraction_full 0.996 _diffrn_reflns_point_group_measured_fraction_max 0.994 _diffrn_reflns_theta_full 67.679 _diffrn_reflns_theta_max 74.586 _diffrn_reflns_theta_min 2.172 _exptl_absorpt_coefficient_mu 4.560 _exptl_absorpt_correction_T_max 0.7538 _exptl_absorpt_correction_T_min 0.5442 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details SADABS _exptl_crystal_colour 'dark red' _exptl_crystal_density_diffrn 1.318 _exptl_crystal_description diamond _exptl_crystal_F_000 1024 _exptl_crystal_size_max 0.209 _exptl_crystal_size_mid 0.129 _exptl_crystal_size_min 0.092 _refine_diff_density_max 0.781 _refine_diff_density_min -0.875 _refine_diff_density_rms 0.052 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.038 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 579 _refine_ls_number_reflns 10076 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.038 _refine_ls_R_factor_all 0.0404 _refine_ls_R_factor_gt 0.0376 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0483P)^2^+1.8592P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0964 _refine_ls_wR_factor_ref 0.0984 _reflns_Friedel_coverage 0.000 _reflns_number_gt 9421 _reflns_number_total 10076 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file cs1c05689_si_002.cif _cod_data_source_block cu_molan624b_0m_a_sq _cod_database_code 4519392 _shelx_shelxl_version_number 2018/1 _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 cu_molan624b_0m_a.res in P-1 cu_molan624b_0m_a_sq.res created by SHELXL-2018/1 at 15:37:53 on 23-Nov-2020 REM Old TITL cu_molan624b_0m in P-1 REM SHELXT solution in P-1 REM R1 0.137, Rweak 0.015, Alpha 0.110, Orientation as input REM Formula found by SHELXT: C53 Cl2 Co N O6 Zn CELL 1.54178 10.7552 11.5789 21.0514 103.464 93.118 103.010 ZERR 2.000 0.0003 0.0003 0.0005 0.001 0.001 0.001 LATT 1 SFAC C H CL CO N O ZN UNIT 106 118 4 2 8 4 2 LIST 4 ACTA TEMP -173.150 L.S. 5 0 23 BOND $H FMAP 2 PLAN 20 ABIN WGHT 0.048300 1.859200 FVAR 0.59148 ZN1 7 0.433498 0.572525 0.744980 11.00000 0.02660 0.02172 = 0.01969 0.00485 0.00177 0.00522 CO1 4 0.843639 0.206437 0.794684 11.00000 0.01974 0.02191 = 0.02973 0.00905 -0.00101 0.00529 CL1 3 0.331992 0.858769 0.945682 11.00000 0.14804 0.11245 = 0.03548 0.02907 0.02120 0.07585 O1 6 0.545419 0.709785 0.807568 11.00000 0.03809 0.02364 = 0.02783 0.00434 -0.00086 0.00303 N1 5 0.401064 0.416375 0.776451 11.00000 0.02132 0.02404 = 0.01987 0.00523 0.00325 0.00633 C1 1 0.416889 0.286051 0.676358 11.00000 0.02149 0.02347 = 0.02086 0.00546 0.00425 0.00640 CL2 3 0.272305 0.962415 0.838611 11.00000 0.06472 0.04017 = 0.05730 0.01830 -0.00619 0.01683 O2 6 0.287425 0.641134 0.732237 11.00000 0.04180 0.02692 = 0.02833 0.00428 0.00734 0.01571 N2 5 0.391370 0.306943 0.739293 11.00000 0.02108 0.02328 = 0.02170 0.00561 0.00363 0.00614 C2 1 0.387765 0.153463 0.641917 11.00000 0.02424 0.02349 = 0.02418 0.00482 0.00441 0.00782 N3 5 0.468477 0.362893 0.639927 11.00000 0.02093 0.02530 = 0.02150 0.00611 0.00241 0.00650 C3 1 0.350161 0.063006 0.675336 11.00000 0.04800 0.02643 = 0.02437 0.00487 0.01212 0.00736 AFIX 43 H3 2 0.347591 0.086354 0.721507 11.00000 -1.20000 AFIX 0 N4 5 0.489221 0.481592 0.661471 11.00000 0.02275 0.02456 = 0.02103 0.00753 0.00161 0.00491 C4 1 0.316289 -0.060614 0.642806 11.00000 0.04996 0.02514 = 0.03322 0.00874 0.01228 0.00663 AFIX 43 H4 2 0.292022 -0.119895 0.667250 11.00000 -1.20000 AFIX 0 C5 1 0.317224 -0.099028 0.575500 11.00000 0.04255 0.02707 = 0.03049 0.00300 0.00425 0.00910 C6 1 0.274168 -0.232322 0.539750 11.00000 0.07179 0.02702 = 0.03648 -0.00001 0.00910 0.01001 AFIX 137 H6A 2 0.258153 -0.240000 0.492496 11.00000 -1.50000 H6B 2 0.195021 -0.270009 0.555727 11.00000 -1.50000 H6C 2 0.341276 -0.273805 0.547734 11.00000 -1.50000 AFIX 0 C7 1 0.359848 -0.009159 0.542811 11.00000 0.07972 0.03213 = 0.02212 0.00213 0.00948 0.00817 AFIX 43 H7 2 0.365538 -0.032909 0.496932 11.00000 -1.20000 AFIX 0 C8 1 0.394585 0.114739 0.575007 11.00000 0.06106 0.02907 = 0.02249 0.00717 0.00737 0.00706 AFIX 43 H8 2 0.423352 0.173577 0.550834 11.00000 -1.20000 AFIX 0 C9 1 0.376619 0.413855 0.842143 11.00000 0.01957 0.02832 = 0.01974 0.00705 0.00372 0.00813 C10 1 0.388696 0.525348 0.887839 11.00000 0.02914 0.02762 = 0.02381 0.00684 0.00369 0.00728 AFIX 43 H10 2 0.412096 0.599901 0.874868 11.00000 -1.20000 AFIX 0 C11 1 0.366454 0.527212 0.952356 11.00000 0.03595 0.03106 = 0.02317 0.00180 0.00429 0.00674 AFIX 43 H11 2 0.374309 0.603297 0.983388 11.00000 -1.20000 AFIX 0 C12 1 0.332904 0.419119 0.971895 11.00000 0.04057 0.03845 = 0.02111 0.00799 0.00745 0.00926 AFIX 43 H12 2 0.318001 0.420908 1.016142 11.00000 -1.20000 AFIX 0 C14 1 0.342288 0.304499 0.861789 11.00000 0.03641 0.02677 = 0.02538 0.00623 0.00787 0.00922 AFIX 43 H14 2 0.333511 0.228104 0.830878 11.00000 -1.20000 AFIX 0 C13 1 0.321220 0.308145 0.926331 11.00000 0.04660 0.03325 = 0.02682 0.01211 0.01028 0.01071 AFIX 43 H13 2 0.298499 0.233907 0.939657 11.00000 -1.20000 AFIX 0 C15 1 0.551863 0.545407 0.617445 11.00000 0.02479 0.02832 = 0.01968 0.00791 -0.00146 0.00189 C16 1 0.617268 0.490916 0.568091 11.00000 0.02668 0.03442 = 0.02832 0.01351 0.00400 0.00869 AFIX 43 H16 2 0.622500 0.408588 0.563390 11.00000 -1.20000 AFIX 0 C17 1 0.674478 0.557120 0.526021 11.00000 0.02630 0.04862 = 0.02749 0.01615 0.00411 0.00632 AFIX 43 H17 2 0.718102 0.519683 0.492075 11.00000 -1.20000 AFIX 0 C18 1 0.668554 0.677532 0.533077 11.00000 0.04123 0.04018 = 0.02920 0.01769 0.00096 -0.00709 AFIX 43 H18 2 0.709017 0.722988 0.504456 11.00000 -1.20000 AFIX 0 C19 1 0.603429 0.731588 0.582011 11.00000 0.06868 0.02728 = 0.03173 0.01013 0.00508 -0.00175 AFIX 43 H19 2 0.598478 0.813944 0.586508 11.00000 -1.20000 AFIX 0 C20 1 0.545341 0.666205 0.624531 11.00000 0.05222 0.02493 = 0.02372 0.00469 0.00612 0.00341 AFIX 43 H20 2 0.501399 0.703818 0.658265 11.00000 -1.20000 AFIX 0 C21 1 0.662777 0.719914 0.832086 11.00000 0.03603 0.02016 = 0.03563 0.01384 0.00803 0.00615 C22 1 0.760709 0.695764 0.793426 11.00000 0.03998 0.02551 = 0.03056 0.00933 0.00352 0.00759 AFIX 43 H22 2 0.741477 0.669158 0.746986 11.00000 -1.20000 AFIX 0 C23 1 0.885134 0.709736 0.821276 11.00000 0.03842 0.02965 = 0.04620 0.01575 0.00847 0.00900 AFIX 43 H23 2 0.948914 0.692017 0.793632 11.00000 -1.20000 AFIX 0 C24 1 0.917591 0.749292 0.889044 11.00000 0.03555 0.03585 = 0.05019 0.02130 -0.00335 0.00164 AFIX 43 H24 2 1.002503 0.757865 0.907875 11.00000 -1.20000 AFIX 0 C25 1 0.824371 0.775702 0.928178 11.00000 0.04408 0.03969 = 0.03220 0.01556 -0.00362 -0.00389 AFIX 43 H25 2 0.845552 0.803429 0.974487 11.00000 -1.20000 AFIX 0 C26 1 0.698460 0.762415 0.900907 11.00000 0.03837 0.03508 = 0.02842 0.01053 0.00360 0.00125 AFIX 43 H26 2 0.636050 0.782218 0.929012 11.00000 -1.20000 AFIX 0 C27 1 0.192989 0.600942 0.687023 11.00000 0.03409 0.02991 = 0.03038 0.01318 0.01149 0.00978 C28 1 0.174967 0.491555 0.637066 11.00000 0.02861 0.03665 = 0.03032 0.00825 0.00607 0.00916 AFIX 43 H28 2 0.236409 0.443806 0.635748 11.00000 -1.20000 AFIX 0 C29 1 0.068226 0.452366 0.589522 11.00000 0.03833 0.04541 = 0.02949 0.00611 0.00699 0.00449 AFIX 43 H29 2 0.059338 0.378408 0.556593 11.00000 -1.20000 AFIX 0 C30 1 -0.022167 0.515416 0.588696 11.00000 0.02475 0.07614 = 0.03657 0.02683 -0.00127 0.00658 AFIX 43 H30 2 -0.093759 0.486846 0.555801 11.00000 -1.20000 AFIX 0 C31 1 -0.008274 0.626132 0.638272 11.00000 0.03576 0.05643 = 0.04652 0.02340 0.00636 0.01820 AFIX 43 H31 2 -0.071428 0.671939 0.638989 11.00000 -1.20000 AFIX 0 C32 1 0.097753 0.667045 0.685577 11.00000 0.03940 0.03648 = 0.04112 0.01372 0.00952 0.01456 AFIX 43 H32 2 0.106488 0.741720 0.717927 11.00000 -1.20000 AFIX 0 C33 1 0.663532 0.179922 0.824372 11.00000 0.02125 0.02524 = 0.02829 0.00845 0.00179 0.00412 C34 1 0.664796 0.090122 0.765021 11.00000 0.02110 0.02477 = 0.03137 0.00767 -0.00062 0.00420 C35 1 0.704753 0.153209 0.716000 11.00000 0.02037 0.03115 = 0.02677 0.00666 -0.00032 0.00773 C36 1 0.728388 0.281945 0.744786 11.00000 0.01831 0.02923 = 0.03018 0.01231 0.00073 0.00803 C37 1 0.702425 0.298811 0.811899 11.00000 0.01899 0.02538 = 0.02972 0.00840 0.00166 0.00611 C38 1 0.624958 0.154171 0.887960 11.00000 0.04093 0.03729 = 0.03274 0.01468 0.00770 0.00543 AFIX 137 H38A 2 0.533296 0.150405 0.889693 11.00000 -1.50000 H38B 2 0.674998 0.219600 0.924714 11.00000 -1.50000 H38C 2 0.641341 0.075661 0.891079 11.00000 -1.50000 AFIX 0 C39 1 0.625786 -0.045482 0.755273 11.00000 0.03501 0.02348 = 0.04388 0.00772 0.00063 0.00252 AFIX 137 H39A 2 0.534005 -0.075341 0.739624 11.00000 -1.50000 H39B 2 0.642403 -0.065811 0.797085 11.00000 -1.50000 H39C 2 0.675336 -0.084335 0.722709 11.00000 -1.50000 AFIX 0 C40 1 0.713912 0.093754 0.645910 11.00000 0.03679 0.04049 = 0.02820 0.00434 0.00478 0.01118 AFIX 137 H40A 2 0.627674 0.063858 0.621782 11.00000 -1.50000 H40B 2 0.753561 0.024836 0.644002 11.00000 -1.50000 H40C 2 0.766506 0.153585 0.625990 11.00000 -1.50000 AFIX 0 C41 1 0.770388 0.380439 0.709967 11.00000 0.03121 0.03641 = 0.04167 0.02162 0.00465 0.00957 AFIX 137 H41A 2 0.834180 0.358986 0.680823 11.00000 -1.50000 H41B 2 0.808499 0.458197 0.742318 11.00000 -1.50000 H41C 2 0.696014 0.388694 0.683936 11.00000 -1.50000 AFIX 0 C42 1 0.711233 0.417775 0.860487 11.00000 0.02914 0.02552 = 0.03641 0.00402 0.00334 0.00781 AFIX 137 H42A 2 0.778520 0.481699 0.850682 11.00000 -1.50000 H42B 2 0.732245 0.409821 0.904906 11.00000 -1.50000 H42C 2 0.628718 0.439924 0.857780 11.00000 -1.50000 AFIX 0 C43 1 0.962936 0.145977 0.851724 11.00000 0.02630 0.03276 = 0.04362 0.01268 -0.00924 0.00983 C44 1 0.982788 0.109753 0.784230 11.00000 0.02276 0.03278 = 0.04860 0.01243 -0.00113 0.01205 C45 1 1.020783 0.218190 0.761397 11.00000 0.01803 0.03826 = 0.05943 0.02117 0.00502 0.01016 C46 1 1.023656 0.321423 0.814383 11.00000 0.01816 0.03088 = 0.06641 0.01773 -0.00519 0.00434 C47 1 0.987811 0.277071 0.870740 11.00000 0.02624 0.03211 = 0.04968 0.00582 -0.01277 0.00817 C48 1 0.927529 0.062233 0.895393 11.00000 0.05102 0.04404 = 0.04419 0.02024 -0.00584 0.01674 AFIX 137 H48A 2 0.867049 -0.013489 0.870354 11.00000 -1.50000 H48B 2 0.887300 0.102193 0.932168 11.00000 -1.50000 H48C 2 1.004937 0.042879 0.912397 11.00000 -1.50000 AFIX 0 C49 1 0.970864 -0.018764 0.744219 11.00000 0.04000 0.03602 = 0.05475 0.00845 0.00350 0.01918 AFIX 137 H49A 2 0.933864 -0.027571 0.699258 11.00000 -1.50000 H49B 2 0.914926 -0.076647 0.764007 11.00000 -1.50000 H49C 2 1.056027 -0.035872 0.743303 11.00000 -1.50000 AFIX 0 C50 1 1.053896 0.219706 0.693285 11.00000 0.03128 0.06348 = 0.07389 0.03597 0.02265 0.01752 AFIX 137 H50A 2 1.000862 0.146620 0.661841 11.00000 -1.50000 H50B 2 1.144816 0.220300 0.691094 11.00000 -1.50000 H50C 2 1.037657 0.293189 0.682395 11.00000 -1.50000 AFIX 0 C51 1 1.060413 0.452820 0.811938 11.00000 0.02413 0.03163 = 0.11062 0.02588 -0.00464 0.00054 AFIX 137 H51A 2 1.044733 0.458215 0.766547 11.00000 -1.50000 H51B 2 1.151687 0.487326 0.827797 11.00000 -1.50000 H51C 2 1.008881 0.498926 0.839868 11.00000 -1.50000 AFIX 0 C52 1 0.981885 0.353723 0.937761 11.00000 0.04802 0.04647 = 0.05270 -0.00722 -0.02526 0.01426 AFIX 137 H52A 2 0.968582 0.433135 0.934315 11.00000 -1.50000 H52B 2 1.062670 0.366401 0.965286 11.00000 -1.50000 H52C 2 0.910520 0.311885 0.957621 11.00000 -1.50000 AFIX 0 C53 1 0.323129 0.841975 0.861391 11.00000 0.05950 0.04126 = 0.03202 0.00911 0.00519 0.02384 AFIX 23 H53A 2 0.262312 0.763198 0.838952 11.00000 -1.20000 H53B 2 0.408646 0.839557 0.846753 11.00000 -1.20000 REM ##### REM ##### AFIX 0 HKLF 4 REM cu_molan624b_0m_a.res in P-1 REM R1 = 0.0376 for 9421 Fo > 4sig(Fo) and 0.0404 for all 10076 data REM 579 parameters refined using 0 restraints END WGHT 0.0483 1.8592 REM Highest difference peak 0.781, deepest hole -0.875, 1-sigma level 0.052 Q1 1 0.2660 0.7786 0.9156 11.00000 0.05 0.78 Q2 1 0.6196 0.6799 0.7976 11.00000 0.05 0.74 Q3 1 0.0037 0.7320 0.6232 11.00000 0.05 0.72 Q4 1 0.9597 0.9059 0.5415 11.00000 0.05 0.67 Q5 1 -0.0188 0.4353 0.5793 11.00000 0.05 0.59 Q6 1 0.8026 0.8832 0.9770 11.00000 0.05 0.51 Q7 1 1.0185 0.7945 0.9279 11.00000 0.05 0.46 Q8 1 -0.0691 0.6672 0.6596 11.00000 0.05 0.45 Q9 1 0.4225 0.8832 0.9399 11.00000 0.05 0.39 Q10 1 0.4994 0.5438 0.7369 11.00000 0.05 0.33 Q11 1 0.8130 0.1425 0.8099 11.00000 0.05 0.33 Q12 1 0.2919 0.9233 0.9466 11.00000 0.05 0.33 Q13 1 0.3142 0.6861 0.7284 11.00000 0.05 0.30 Q14 1 0.2337 0.6256 0.7225 11.00000 0.05 0.28 Q15 1 0.3354 0.6194 0.7363 11.00000 0.05 0.28 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961.50 35.90 -6 -3 0 986.50 37.60 -6 -3 0 1009.90 37.10 -6 -3 0 960.00 35.30 6 3 0 1095.19 57.69 6 3 0 1028.20 38.80 6 3 0 1055.29 57.89 6 3 0 957.10 34.90 6 3 0 996.40 36.10 6 3 0 970.00 36.50 6 3 0 999.90 44.90 -7 -3 0 15.30 8.40 -7 -3 0 5.30 7.00 -7 -3 0 15.50 5.90 -7 -3 0 4.50 4.90 -7 -3 0 13.10 6.30 -7 -3 0 21.80 6.10 -7 -3 0 15.10 5.30 7 3 0 10.80 6.40 7 3 0 17.60 5.60 7 3 0 12.00 5.20 7 3 0 14.30 5.10 7 3 0 2.60 6.90 7 3 0 2.10 9.30 -8 -3 0 -3.30 5.80 -8 -3 0 7.90 5.50 -8 -3 0 -5.50 7.40 8 3 0 1.60 5.10 8 3 0 -0.90 5.00 8 3 0 6.00 11.00 8 3 0 5.60 10.10 8 3 0 5.60 6.80 8 3 0 0.50 5.50 -9 -3 0 18.80 7.20 -9 -3 0 23.90 6.10 -9 -3 0 21.00 7.70 9 3 0 10.40 6.90 9 3 0 11.00 6.00 9 3 0 27.80 12.80 9 3 0 7.90 9.00 9 3 0 18.20 7.10 9 3 0 18.20 8.70 -10 -3 0 264.57 15.90 10 3 0 298.27 30.80 10 3 0 261.47 16.80 10 3 0 263.77 19.90 10 3 0 299.47 17.70 10 3 0 273.17 15.30 10 3 0 291.47 24.00 -11 -3 0 9.10 4.60 11 3 0 18.00 11.90 11 3 0 9.80 4.20 11 3 0 27.40 16.20 11 3 0 14.40 5.20 11 3 0 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124.99 13.60 -8 4 0 162.38 18.90 -8 4 0 122.79 10.80 7 -4 0 202.38 17.20 7 -4 0 193.18 18.00 7 -4 0 201.98 14.10 7 -4 0 190.98 15.20 7 -4 0 207.38 14.50 7 -4 0 211.08 14.50 7 -4 0 183.28 13.30 7 -4 0 219.58 15.10 -7 4 0 209.78 29.80 -7 4 0 240.08 31.70 -7 4 0 187.48 11.80 -7 4 0 203.28 14.30 -7 4 0 179.48 10.50 -7 4 0 223.08 12.00 -7 4 0 216.88 22.70 6 -4 0 37.20 7.20 6 -4 0 24.40 6.90 6 -4 0 36.80 7.70 6 -4 0 44.00 7.80 6 -4 0 31.30 9.20 6 -4 0 30.60 7.50 6 -4 0 36.60 8.10 -6 4 0 34.30 5.10 -6 4 0 26.90 5.60 -6 4 0 40.20 16.10 -6 4 0 28.80 13.00 5 -4 0 177.68 11.90 5 -4 0 193.58 13.40 5 -4 0 189.68 13.30 5 -4 0 193.28 16.40 -5 4 0 197.48 12.70 -5 4 0 188.68 10.60 -5 4 0 208.98 24.90 -5 4 0 226.98 22.50 -5 4 0 198.28 9.60 4 -4 0 3082.49 98.89 4 -4 0 3367.76 108.19 -4 4 0 3199.98 97.09 -4 4 0 3102.89 105.39 -4 4 0 3276.67 114.99 -4 4 0 3308.37 115.69 3 -4 0 219.88 12.20 3 -4 0 208.48 10.80 -3 4 0 224.38 11.00 -3 4 0 220.48 11.40 -3 4 0 247.08 9.30 -3 4 0 199.48 17.80 -3 4 0 210.38 18.30 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384.86 18.60 5 5 0 491.25 56.09 5 5 0 413.56 18.30 5 5 0 397.36 17.90 -6 -5 0 283.17 19.60 -6 -5 0 261.57 14.30 -6 -5 0 234.78 15.60 -6 -5 0 249.78 16.40 -6 -5 0 252.07 18.90 6 5 0 236.98 14.90 6 5 0 247.18 15.10 6 5 0 261.27 22.50 6 5 0 253.07 16.90 6 5 0 243.58 13.80 6 5 0 278.97 36.90 -7 -5 0 49.80 11.10 -7 -5 0 64.39 9.00 -7 -5 0 45.50 11.50 -7 -5 0 59.29 8.50 -7 -5 0 63.09 9.70 7 5 0 55.69 8.70 7 5 0 44.90 8.20 7 5 0 49.10 19.70 7 5 0 51.19 10.30 7 5 0 70.89 15.60 7 5 0 49.70 7.60 -8 -5 0 -3.50 7.60 -8 -5 0 -1.00 5.60 -8 -5 0 7.10 5.00 -8 -5 0 4.00 7.50 -8 -5 0 -4.90 4.80 8 5 0 -0.10 5.50 8 5 0 9.20 10.00 8 5 0 3.00 4.90 8 5 0 7.10 7.20 8 5 0 0.00 7.40 8 5 0 3.90 5.80 -9 -5 0 11.90 6.90 -9 -5 0 11.90 5.10 -9 -5 0 15.10 6.20 -9 -5 0 10.60 6.80 9 5 0 5.00 5.50 9 5 0 12.30 6.70 9 5 0 15.30 12.00 9 5 0 41.70 19.60 9 5 0 15.60 6.40 9 5 0 13.50 8.70 -10 -5 0 70.49 8.80 10 5 0 76.69 7.60 10 5 0 60.99 8.10 10 5 0 84.99 18.20 10 5 0 63.19 8.30 11 5 0 8.00 3.50 13 -6 0 3.40 3.90 -13 6 0 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0 519.75 22.50 -8 7 0 610.04 73.09 -8 7 0 456.35 20.30 7 -7 0 248.18 17.20 7 -7 0 288.37 19.30 7 -7 0 238.48 17.60 7 -7 0 219.48 27.50 7 -7 0 252.97 15.70 7 -7 0 246.18 18.10 -7 7 0 257.07 13.20 -7 7 0 239.58 14.00 -7 7 0 281.07 41.50 -7 7 0 244.08 16.30 6 -7 0 574.94 27.70 6 -7 0 584.94 27.40 6 -7 0 570.84 23.80 6 -7 0 531.05 37.70 6 -7 0 623.44 28.00 6 -7 0 542.95 27.40 -6 7 0 517.15 45.90 -6 7 0 526.35 21.80 -6 7 0 594.04 25.20 -6 7 0 650.43 48.40 -6 7 0 545.55 23.20 -6 7 0 590.74 22.80 5 -7 0 314.17 18.70 5 -7 0 340.57 28.00 5 -7 0 297.27 18.50 5 -7 0 299.77 18.40 5 -7 0 274.07 18.30 5 -7 0 296.27 14.30 5 -7 0 312.97 18.10 -5 7 0 264.17 33.80 -5 7 0 296.07 15.10 -5 7 0 306.47 15.40 -5 7 0 331.47 33.10 4 -7 0 189.68 24.10 4 -7 0 190.08 16.50 4 -7 0 176.88 13.30 4 -7 0 148.29 14.90 4 -7 0 165.88 13.00 4 -7 0 143.09 13.10 4 -7 0 159.18 12.60 -4 7 0 156.08 9.30 -4 7 0 243.18 31.30 -4 7 0 197.78 28.90 -4 7 0 142.79 10.40 3 -7 0 501.25 24.50 3 -7 0 509.15 27.00 3 -7 0 516.65 23.90 3 -7 0 503.75 24.50 3 -7 0 506.45 23.10 3 -7 0 508.15 32.60 3 -7 0 514.55 23.70 -3 7 0 559.84 38.60 -3 7 0 537.15 37.10 -3 7 0 524.85 19.90 2 -7 0 126.29 13.20 2 -7 0 98.49 10.70 2 -7 0 102.19 10.30 2 -7 0 116.09 11.60 2 -7 0 109.19 11.80 2 -7 0 92.79 16.00 2 -7 0 108.09 10.30 2 -7 0 95.29 13.60 -2 7 0 93.59 17.20 -2 7 0 105.39 12.60 -2 7 0 117.29 18.40 -2 7 0 109.19 18.90 1 -7 0 1889.31 65.59 1 -7 0 1950.70 65.49 1 -7 0 1936.31 74.39 1 -7 0 1927.31 64.89 1 -7 0 1947.21 65.59 1 -7 0 2048.59 77.49 1 -7 0 1902.41 66.39 1 -7 0 2000.50 67.59 1 -7 0 2034.80 66.89 1 -7 0 2014.80 65.29 1 -7 0 1925.41 65.99 -1 7 0 2091.79 74.39 -1 7 0 2049.79 80.89 -1 7 0 2019.10 78.59 -1 7 0 2043.80 82.79 -1 7 0 2082.39 79.69 -1 7 0 1926.11 73.89 0 -7 0 259.07 15.40 0 -7 0 251.87 21.00 0 -7 0 258.57 14.50 0 -7 0 249.38 15.10 0 -7 0 255.37 15.70 0 -7 0 263.87 15.00 0 -7 0 251.77 21.20 0 -7 0 317.77 20.30 0 -7 0 243.78 14.80 0 -7 0 297.57 16.30 0 7 0 271.27 22.00 0 7 0 252.07 19.30 0 7 0 289.07 24.20 0 7 0 260.47 19.80 0 7 0 265.17 22.50 0 7 0 274.57 21.80 -1 -7 0 1228.38 43.50 -1 -7 0 1277.27 44.20 -1 -7 0 1213.38 43.60 -1 -7 0 1189.58 42.20 -1 -7 0 1276.57 44.80 -1 -7 0 1150.88 43.30 -1 -7 0 1251.47 45.30 -1 -7 0 1245.18 55.59 -1 -7 0 1158.58 43.00 1 7 0 1246.08 57.19 1 7 0 1126.79 43.80 1 7 0 1208.68 55.69 1 7 0 1215.88 57.99 1 7 0 1160.68 53.29 -2 -7 0 160.48 12.70 -2 -7 0 162.78 20.90 -2 -7 0 191.58 13.50 -2 -7 0 192.08 15.20 -2 -7 0 182.18 13.90 -2 -7 0 185.38 11.50 -2 -7 0 179.48 12.90 -2 -7 0 205.08 13.60 -2 -7 0 190.08 13.40 2 7 0 199.08 9.90 2 7 0 249.58 29.50 2 7 0 218.28 26.50 2 7 0 181.58 18.50 2 7 0 236.98 29.60 -3 -7 0 311.97 17.70 -3 -7 0 284.77 17.60 -3 -7 0 276.57 16.50 -3 -7 0 257.17 18.20 -3 -7 0 245.78 14.00 -3 -7 0 216.18 25.50 -3 -7 0 258.57 15.90 3 7 0 276.97 34.80 3 7 0 299.67 36.20 3 7 0 253.27 12.80 3 7 0 280.67 14.00 -4 -7 0 14.00 6.30 -4 -7 0 17.00 7.60 -4 -7 0 12.70 6.80 -4 -7 0 13.00 6.40 -4 -7 0 25.20 8.40 -4 -7 0 19.60 6.50 4 7 0 17.30 12.10 4 7 0 22.80 5.50 4 7 0 13.20 5.50 -5 -7 0 4.70 7.30 -5 -7 0 15.00 8.50 -5 -7 0 4.00 5.30 -5 -7 0 2.50 7.10 -5 -7 0 1.10 5.50 -5 -7 0 2.10 5.60 5 7 0 6.40 4.60 5 7 0 7.00 5.30 5 7 0 1.80 4.50 5 7 0 0.70 7.40 5 7 0 0.70 11.10 -6 -7 0 538.35 23.90 -6 -7 0 593.84 28.80 -6 -7 0 558.04 28.70 -6 -7 0 596.64 29.40 -6 -7 0 561.74 26.40 -6 -7 0 583.34 26.20 6 7 0 565.44 23.30 6 7 0 576.44 24.90 6 7 0 582.14 27.30 6 7 0 573.84 34.30 6 7 0 527.45 24.20 -7 -7 0 -6.20 4.40 -7 -7 0 6.30 7.40 -7 -7 0 5.30 5.50 -7 -7 0 4.50 6.80 -7 -7 0 11.90 8.50 7 7 0 10.70 6.80 7 7 0 4.80 5.30 7 7 0 -0.40 6.90 7 7 0 0.20 4.30 7 7 0 15.40 6.00 7 7 0 0.40 8.90 -8 -7 0 15.60 5.40 -8 -7 0 15.30 5.00 -8 -7 0 0.50 5.80 8 7 0 9.10 6.40 8 7 0 5.60 7.30 8 7 0 11.10 4.80 8 7 0 16.90 5.70 8 7 0 11.80 9.20 8 7 0 1.20 5.00 -9 -7 0 71.09 5.80 -9 -7 0 54.99 7.00 -9 -7 0 70.89 7.70 9 7 0 66.79 6.60 9 7 0 65.49 6.60 9 7 0 76.99 7.90 9 7 0 62.09 9.40 12 -8 0 186.58 10.90 12 -8 0 203.28 11.00 -12 8 0 198.98 11.80 -12 8 0 191.98 10.00 -12 8 0 205.58 8.70 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26.30 -7 8 0 619.14 25.70 -7 8 0 654.93 25.00 -7 8 0 698.83 29.90 6 -8 0 227.78 17.80 6 -8 0 254.37 32.20 6 -8 0 215.68 16.90 6 -8 0 225.38 18.00 6 -8 0 228.48 17.40 6 -8 0 212.48 17.50 6 -8 0 228.78 17.40 -6 8 0 222.38 14.40 -6 8 0 311.07 43.80 -6 8 0 223.28 12.70 -6 8 0 215.68 12.50 5 -8 0 834.22 37.00 5 -8 0 876.21 37.10 5 -8 0 894.21 36.90 5 -8 0 882.31 50.49 5 -8 0 833.42 35.90 5 -8 0 880.21 36.90 5 -8 0 825.22 36.70 -5 8 0 849.61 30.50 -5 8 0 860.01 59.99 -5 8 0 893.41 32.70 -5 8 0 847.32 56.99 4 -8 0 40.50 8.40 4 -8 0 47.40 9.20 4 -8 0 47.80 9.90 4 -8 0 34.30 7.80 4 -8 0 42.20 8.60 4 -8 0 49.20 9.50 4 -8 0 38.60 7.50 4 -8 0 44.30 13.60 -4 8 0 57.79 17.00 -4 8 0 49.20 15.70 -4 8 0 41.60 6.10 3 -8 0 145.49 21.90 3 -8 0 169.58 13.70 3 -8 0 170.38 15.20 3 -8 0 131.99 11.50 3 -8 0 149.99 11.70 3 -8 0 172.68 14.10 3 -8 0 180.48 20.20 3 -8 0 171.88 13.50 3 -8 0 159.38 11.10 3 -8 0 183.48 17.00 3 -8 0 158.38 13.00 -3 8 0 150.38 25.50 -3 8 0 180.98 27.20 -3 8 0 166.08 8.50 -3 8 0 180.98 26.70 2 -8 0 17.80 11.00 2 -8 0 15.20 6.60 2 -8 0 13.80 5.10 2 -8 0 17.60 8.40 2 -8 0 16.20 6.10 2 -8 0 13.70 4.60 2 -8 0 14.20 5.30 2 -8 0 18.90 5.30 2 -8 0 27.90 7.30 2 -8 0 17.00 6.40 2 -8 0 13.80 5.50 -2 8 0 20.60 7.40 -2 8 0 14.00 9.10 -2 8 0 15.60 6.50 -2 8 0 31.70 11.90 -2 8 0 28.00 11.50 1 -8 0 257.97 16.70 1 -8 0 302.77 17.80 1 -8 0 300.57 17.30 1 -8 0 327.27 17.70 1 -8 0 307.17 17.50 1 -8 0 326.67 25.30 1 -8 0 286.47 25.10 1 -8 0 302.27 16.50 1 -8 0 320.57 17.20 1 -8 0 322.97 19.10 1 -8 0 292.07 16.10 -1 8 0 333.27 29.60 -1 8 0 311.77 23.90 -1 8 0 295.87 35.00 -1 8 0 317.97 23.60 -1 8 0 291.17 24.60 -1 8 0 306.37 25.90 0 -8 0 703.53 40.10 0 -8 0 698.23 29.00 0 -8 0 664.43 28.70 0 -8 0 687.53 28.80 0 -8 0 718.93 29.90 0 -8 0 677.93 29.10 0 -8 0 725.13 30.00 0 -8 0 720.13 29.30 0 -8 0 706.03 28.60 0 -8 0 687.93 30.80 0 8 0 725.23 41.40 0 8 0 699.63 40.60 0 8 0 663.93 41.40 0 8 0 692.23 41.40 -1 -8 0 209.18 14.30 -1 -8 0 217.78 16.40 -1 -8 0 221.98 13.20 -1 -8 0 245.78 17.30 -1 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7.10 -6 -8 0 9.00 8.20 -6 -8 0 2.10 5.40 -6 -8 0 7.10 7.00 -6 -8 0 3.40 5.40 6 8 0 6.40 5.90 6 8 0 -0.90 7.70 6 8 0 0.70 4.00 6 8 0 -1.90 4.10 -7 -8 0 16.20 6.80 -7 -8 0 6.90 7.30 -7 -8 0 16.30 6.00 -7 -8 0 14.50 5.70 -7 -8 0 12.80 6.50 7 8 0 17.60 5.70 7 8 0 9.10 6.10 7 8 0 5.80 8.20 7 8 0 11.10 4.60 7 8 0 13.90 7.80 -8 -8 0 68.99 8.40 -8 -8 0 107.39 7.60 -8 -8 0 100.49 6.90 -8 -8 0 99.19 9.30 8 8 0 91.79 7.40 8 8 0 97.09 10.90 8 8 0 104.89 8.90 12 -9 0 18.40 3.80 -12 9 0 22.90 3.00 -12 9 0 17.50 3.30 11 -9 0 134.39 10.60 11 -9 0 146.99 15.00 -11 9 0 130.79 11.70 -11 9 0 156.78 9.90 -11 9 0 140.99 9.00 -11 9 0 137.59 14.60 -11 9 0 155.88 8.80 10 -9 0 62.99 10.20 10 -9 0 73.79 10.50 10 -9 0 72.59 9.90 10 -9 0 70.89 10.30 10 -9 0 65.99 8.70 -10 9 0 59.39 9.60 -10 9 0 73.69 7.90 -10 9 0 60.39 10.00 -10 9 0 77.19 13.30 -10 9 0 78.99 7.50 -10 9 0 68.79 8.20 9 -9 0 23.20 8.00 9 -9 0 14.30 7.10 9 -9 0 11.50 7.40 9 -9 0 18.00 7.40 9 -9 0 17.70 7.00 -9 9 0 12.70 9.20 -9 9 0 26.00 6.00 -9 9 0 18.80 5.20 -9 9 0 18.20 6.00 -9 9 0 24.20 7.80 8 -9 0 59.39 10.50 8 -9 0 51.39 10.40 8 -9 0 72.69 12.60 8 -9 0 50.19 9.80 8 -9 0 69.79 11.50 8 -9 0 54.49 10.70 -8 9 0 67.99 14.80 -8 9 0 63.69 8.60 -8 9 0 61.49 7.30 -8 9 0 53.49 7.60 -8 9 0 53.69 9.90 7 -9 0 648.14 31.20 7 -9 0 637.54 31.20 7 -9 0 619.64 30.10 7 -9 0 604.54 31.00 7 -9 0 651.73 31.90 7 -9 0 653.63 44.60 7 -9 0 617.14 30.00 -7 9 0 572.04 25.00 -7 9 0 635.24 28.60 -7 9 0 654.83 25.80 -7 9 0 610.04 24.20 -7 9 0 622.54 35.00 6 -9 0 259.57 18.80 6 -9 0 250.87 19.00 6 -9 0 255.57 18.80 6 -9 0 328.87 38.30 6 -9 0 203.28 17.60 6 -9 0 234.98 18.60 6 -9 0 251.97 18.50 -6 9 0 254.17 40.80 -6 9 0 236.48 15.30 -6 9 0 222.18 13.10 5 -9 0 84.99 12.80 5 -9 0 81.99 12.20 5 -9 0 64.09 11.00 5 -9 0 71.69 20.00 5 -9 0 79.19 12.70 5 -9 0 65.49 11.10 5 -9 0 56.89 11.20 -5 9 0 52.29 8.20 -5 9 0 67.59 22.50 -5 9 0 72.19 7.90 4 -9 0 587.64 28.70 4 -9 0 573.34 27.20 4 -9 0 573.94 41.40 4 -9 0 545.85 27.10 4 -9 0 581.24 28.60 4 -9 0 529.35 26.80 4 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38.10 5.30 6 -12 0 9.10 4.50 6 -12 0 -4.10 5.10 6 -12 0 4.60 4.70 6 -12 0 12.70 6.20 6 -12 0 3.00 5.50 6 -12 0 -5.00 5.00 -6 12 0 19.00 6.40 -6 12 0 2.30 3.70 5 -12 0 -3.20 3.70 5 -12 0 2.60 5.10 5 -12 0 6.00 5.60 5 -12 0 0.80 5.20 5 -12 0 1.10 5.50 5 -12 0 9.30 5.70 4 -12 0 11.80 6.60 4 -12 0 3.10 5.30 4 -12 0 7.40 5.20 4 -12 0 12.90 8.80 4 -12 0 3.90 6.00 4 -12 0 4.20 4.10 3 -12 0 25.20 6.80 3 -12 0 31.20 8.50 3 -12 0 26.60 7.20 3 -12 0 36.30 8.00 3 -12 0 18.40 5.10 3 -12 0 34.50 6.80 3 -12 0 29.20 5.90 2 -12 0 113.89 11.50 2 -12 0 122.59 9.60 2 -12 0 132.59 10.20 2 -12 0 119.69 10.00 2 -12 0 136.89 12.00 2 -12 0 149.29 13.60 2 -12 0 116.39 11.50 2 -12 0 136.69 10.10 2 -12 0 133.49 10.00 1 -12 0 215.58 12.40 1 -12 0 225.38 13.50 1 -12 0 244.08 17.90 1 -12 0 224.78 13.10 1 -12 0 227.38 14.20 1 -12 0 255.27 20.70 1 -12 0 213.08 11.80 1 -12 0 217.68 13.90 0 -12 0 33.70 6.00 0 -12 0 39.60 6.50 0 -12 0 25.80 5.60 0 -12 0 40.80 7.40 0 -12 0 30.60 6.90 0 -12 0 40.80 7.40 0 -12 0 34.40 7.20 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37.50 1 -10 3 1004.20 39.10 1 -10 3 1022.20 41.10 1 -10 3 974.10 37.10 1 -10 3 990.20 40.00 -2 10 -3 18.50 14.70 -2 10 -3 17.70 4.30 2 -10 3 -0.20 8.40 2 -10 3 11.40 5.80 2 -10 3 12.90 5.70 2 -10 3 7.20 7.90 2 -10 3 12.10 7.10 2 -10 3 17.00 6.30 2 -10 3 9.40 4.90 2 -10 3 6.30 6.60 2 -10 3 10.20 4.90 2 -10 3 15.50 7.10 -3 10 -3 102.19 9.50 -3 10 -3 85.89 23.20 3 -10 3 109.29 11.30 3 -10 3 90.39 11.40 3 -10 3 77.29 16.30 3 -10 3 88.49 9.70 3 -10 3 104.39 11.60 3 -10 3 99.89 12.90 3 -10 3 105.39 14.10 3 -10 3 110.29 15.40 3 -10 3 120.49 14.00 -4 10 -3 127.89 29.30 -4 10 -3 138.19 10.50 -4 10 -3 125.69 9.00 4 -10 3 125.19 11.50 4 -10 3 146.59 15.50 4 -10 3 156.68 17.90 4 -10 3 159.68 13.00 4 -10 3 134.29 14.10 4 -10 3 138.29 16.10 4 -10 3 123.79 14.50 -5 10 -3 52.39 8.10 -5 10 -3 58.19 7.30 5 -10 3 42.60 9.60 5 -10 3 66.19 13.70 5 -10 3 53.59 11.10 5 -10 3 38.90 9.30 5 -10 3 40.00 8.10 5 -10 3 47.40 10.70 5 -10 3 47.80 8.40 -6 10 -3 177.58 11.70 -6 10 -3 158.18 14.30 -6 10 -3 145.09 10.90 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4.10 5 -8 21 -1.40 3.90 -6 8 -21 4.60 4.50 -6 8 -21 7.50 3.50 6 -8 21 12.50 4.30 6 7 -21 161.48 8.00 -6 -7 21 157.88 7.50 -6 -7 21 148.59 8.10 5 7 -21 14.00 4.00 5 7 -21 14.70 2.70 -5 -7 21 11.10 4.30 4 7 -21 152.38 11.00 4 7 -21 154.68 10.00 4 7 -21 156.78 8.00 -4 -7 21 163.98 11.00 3 7 -21 22.60 4.50 3 7 -21 19.60 5.20 3 7 -21 12.50 5.10 3 7 -21 24.40 7.20 3 7 -21 15.50 5.90 -3 -7 21 10.50 5.70 2 7 -21 86.99 7.00 2 7 -21 108.29 13.20 2 7 -21 78.59 8.50 2 7 -21 99.49 8.40 2 7 -21 79.79 10.30 -2 -7 21 90.09 10.00 1 7 -21 43.10 6.30 1 7 -21 44.50 8.80 1 7 -21 35.30 8.70 1 7 -21 43.10 5.70 1 7 -21 33.50 6.50 1 7 -21 40.20 8.50 -1 -7 21 41.60 8.10 0 7 -21 9.80 6.50 0 7 -21 10.30 4.20 0 7 -21 5.70 4.40 0 7 -21 -1.20 4.50 0 7 -21 0.00 5.20 0 -7 21 2.70 5.30 -1 7 -21 445.76 17.10 -1 7 -21 455.25 19.90 -1 7 -21 408.56 22.00 -1 7 -21 414.46 22.00 -1 7 -21 458.55 32.40 -1 7 -21 428.86 18.10 1 -7 21 451.85 22.40 -2 7 -21 134.69 13.40 -2 7 -21 131.19 9.30 -2 7 -21 128.29 15.70 -2 7 -21 130.29 12.60 -2 7 -21 132.69 8.60 -2 7 -21 155.18 11.30 2 -7 21 135.69 13.10 2 -7 21 121.49 12.70 2 -7 21 162.88 18.20 -3 7 -21 62.99 9.60 -3 7 -21 73.49 8.40 -3 7 -21 89.49 7.60 -3 7 -21 79.29 12.00 -3 7 -21 81.49 10.60 3 -7 21 78.39 8.90 3 -7 21 86.59 13.10 3 -7 21 77.99 10.50 3 -7 21 89.49 15.20 -4 7 -21 16.70 6.10 -4 7 -21 14.40 3.30 -4 7 -21 12.10 6.00 -4 7 -21 9.30 6.50 -4 7 -21 14.30 7.40 4 -7 21 0.70 6.90 4 -7 21 18.80 7.80 4 -7 21 -1.30 5.20 -5 7 -21 95.49 9.60 -5 7 -21 90.39 7.70 -5 7 -21 111.59 11.10 -5 7 -21 95.89 14.20 5 -7 21 101.29 10.80 5 -7 21 113.29 11.60 -6 7 -21 23.10 4.50 -6 7 -21 20.70 5.00 6 -7 21 25.30 6.70 6 -7 21 27.50 5.90 -7 7 -21 79.09 5.40 7 -7 21 78.09 6.60 7 -7 21 75.49 7.20 7 6 -21 22.00 3.20 -7 -6 21 12.30 3.20 6 6 -21 10.90 3.80 -6 -6 21 10.00 4.20 5 6 -21 47.80 7.40 5 6 -21 74.89 7.40 -5 -6 21 62.89 7.60 4 6 -21 170.38 8.50 4 6 -21 161.18 11.10 4 6 -21 178.48 14.20 4 6 -21 164.78 15.30 4 6 -21 166.68 17.80 -4 -6 21 179.98 12.80 3 6 -21 277.07 17.00 3 6 -21 268.17 15.20 3 6 -21 297.07 12.30 3 6 -21 283.67 18.60 3 6 -21 272.57 16.40 3 6 -21 295.57 15.20 -3 -6 21 285.37 16.90 2 6 -21 3.20 3.80 2 6 -21 6.50 4.30 2 6 -21 6.60 5.90 2 6 -21 12.70 5.80 2 6 -21 0.90 6.80 2 6 -21 8.60 6.80 -2 -6 21 12.20 6.60 1 6 -21 206.98 22.30 1 6 -21 230.78 11.20 1 6 -21 217.38 11.90 1 6 -21 212.38 17.40 1 6 -21 213.38 13.70 1 6 -21 223.28 15.70 -1 -6 21 237.58 16.60 0 6 -21 35.50 7.90 0 6 -21 36.90 8.70 0 6 -21 31.80 9.10 0 6 -21 28.60 6.50 0 6 -21 25.70 5.80 0 6 -21 35.50 5.30 0 -6 21 36.00 8.60 -1 6 -21 23.60 8.30 -1 6 -21 7.40 4.60 -1 6 -21 15.00 6.70 -1 6 -21 12.80 5.80 -1 6 -21 13.80 7.40 -1 6 -21 8.10 3.90 1 -6 21 -0.30 5.60 1 -6 21 9.00 6.40 1 -6 21 29.70 9.00 -2 6 -21 24.00 8.40 -2 6 -21 14.60 5.90 -2 6 -21 17.30 4.10 -2 6 -21 16.20 8.20 -2 6 -21 13.50 6.60 -2 6 -21 18.60 5.00 2 -6 21 4.90 6.50 2 -6 21 14.80 6.80 2 -6 21 15.80 6.40 2 -6 21 23.30 8.10 -3 6 -21 105.89 9.60 -3 6 -21 135.09 12.70 -3 6 -21 108.59 12.20 3 -6 21 121.29 13.70 3 -6 21 112.19 11.10 3 -6 21 118.19 14.20 3 -6 21 113.29 12.50 -4 6 -21 610.74 29.50 -4 6 -21 627.04 26.60 -4 6 -21 655.43 24.60 -4 6 -21 642.14 27.50 4 -6 21 632.64 28.50 4 -6 21 603.34 30.20 4 -6 21 648.24 29.10 -5 6 -21 342.97 17.20 -5 6 -21 325.97 14.90 -5 6 -21 322.47 19.30 -5 6 -21 324.57 17.20 5 -6 21 359.16 29.20 5 -6 21 349.47 19.00 5 -6 21 329.77 19.90 -6 6 -21 13.40 4.10 -6 6 -21 16.60 5.20 -6 6 -21 21.70 5.60 6 -6 21 12.80 5.90 6 -6 21 16.90 6.20 -7 6 -21 13.30 4.20 -7 6 -21 17.10 3.00 7 -6 21 17.40 4.90 7 -6 21 14.50 4.00 7 -6 21 29.80 6.00 7 5 -21 6.60 4.10 -7 -5 21 3.20 3.80 6 5 -21 7.40 4.90 6 5 -21 0.60 3.50 -6 -5 21 7.50 4.80 5 5 -21 153.48 12.00 -5 -5 21 155.88 19.20 4 5 -21 99.09 9.70 4 5 -21 93.49 9.20 4 5 -21 83.19 5.80 4 5 -21 99.69 11.20 4 5 -21 77.89 12.00 -4 -5 21 65.99 9.00 3 5 -21 8.00 6.70 3 5 -21 8.00 3.40 3 5 -21 -3.80 4.50 3 5 -21 7.30 5.10 3 5 -21 2.10 5.80 -3 -5 21 6.20 3.60 -3 -5 21 5.80 6.00 2 5 -21 422.86 21.30 2 5 -21 399.26 17.80 2 5 -21 442.06 24.00 2 5 -21 431.86 22.40 2 5 -21 440.46 16.10 2 5 -21 425.46 19.90 -2 -5 21 428.66 23.10 -2 -5 21 421.36 16.80 1 5 -21 -1.10 5.10 1 5 -21 2.60 6.40 1 5 -21 3.20 5.30 1 5 -21 8.20 4.60 1 5 -21 3.30 3.80 1 5 -21 -1.10 6.30 -1 -5 21 9.30 4.40 -1 -5 21 1.10 6.00 0 5 -21 43.90 9.30 0 5 -21 28.20 4.70 0 5 -21 42.90 7.30 0 5 -21 35.60 9.30 0 -5 21 37.00 6.00 0 -5 21 32.60 7.80 0 -5 21 24.90 8.40 -1 5 -21 156.48 16.90 -1 5 -21 168.78 22.70 -1 5 -21 155.68 8.50 -1 5 -21 162.38 12.30 -1 5 -21 173.38 15.50 1 -5 21 169.58 11.00 1 -5 21 163.48 16.40 1 -5 21 138.39 14.90 1 -5 21 154.08 14.80 -2 5 -21 312.27 12.50 -2 5 -21 347.37 19.50 -2 5 -21 317.07 16.90 -2 5 -21 328.37 19.70 -2 5 -21 336.57 21.50 2 -5 21 363.16 16.00 2 -5 21 344.47 20.70 2 -5 21 353.96 21.50 2 -5 21 351.36 22.40 -3 5 -21 22.00 7.40 -3 5 -21 25.20 7.40 -3 5 -21 27.20 8.80 -3 5 -21 18.80 6.10 3 -5 21 33.70 8.80 3 -5 21 32.40 5.90 3 -5 21 24.80 14.30 3 -5 21 31.50 8.70 -4 5 -21 21.30 7.60 -4 5 -21 21.40 7.10 -4 5 -21 32.20 7.40 -4 5 -21 15.90 5.50 4 -5 21 21.20 8.10 4 -5 21 14.50 8.10 4 -5 21 44.10 9.60 4 -5 21 28.00 5.40 -5 5 -21 324.97 17.20 -5 5 -21 324.17 16.70 -5 5 -21 313.27 19.00 -5 5 -21 317.27 14.20 5 -5 21 288.07 18.50 5 -5 21 328.17 19.10 5 -5 21 264.47 19.70 5 -5 21 307.57 12.90 -6 5 -21 312.77 15.30 -6 5 -21 321.57 15.90 -6 5 -21 314.37 13.00 -6 5 -21 300.87 17.40 6 -5 21 353.56 18.80 6 -5 21 317.27 17.70 6 -5 21 274.27 21.40 -7 5 -21 9.30 5.80 -7 5 -21 11.80 4.00 7 -5 21 17.40 5.10 -8 -4 21 111.99 7.40 7 4 -21 14.70 4.90 7 4 -21 13.60 3.60 -7 -4 21 12.90 4.90 6 4 -21 13.20 5.70 6 4 -21 8.60 4.20 -6 -4 21 9.20 5.30 5 4 -21 14.90 5.20 5 4 -21 16.70 6.60 -5 -4 21 19.90 6.90 4 4 -21 72.89 8.20 4 4 -21 60.99 9.50 4 4 -21 78.19 9.90 -4 -4 21 77.09 7.90 -4 -4 21 56.29 9.20 3 4 -21 -0.30 4.60 3 4 -21 0.30 5.70 3 4 -21 7.00 6.30 3 4 -21 1.60 5.00 -3 -4 21 3.20 4.40 -3 -4 21 4.10 6.70 2 4 -21 4.70 5.10 2 4 -21 3.50 2.90 2 4 -21 5.10 6.40 2 4 -21 5.60 5.40 2 4 -21 0.30 5.80 -2 -4 21 -0.10 4.40 -2 -4 21 6.00 6.20 1 4 -21 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5.90 -3 9 -22 45.70 5.50 3 -9 22 47.20 5.60 -4 9 -22 105.29 11.20 -4 9 -22 95.39 7.00 4 -9 22 104.79 11.90 4 -9 22 108.19 6.80 -5 9 -22 6.60 2.80 5 -9 22 0.90 3.20 -4 -8 22 8.70 2.70 -4 -8 22 5.40 4.10 3 8 -22 94.39 8.60 3 8 -22 108.09 6.60 3 8 -22 117.19 7.90 -3 -8 22 118.89 7.90 -3 -8 22 110.29 8.70 2 8 -22 291.97 12.90 2 8 -22 232.18 12.30 2 8 -22 257.37 14.10 2 8 -22 243.88 10.40 -2 -8 22 261.47 13.00 1 8 -22 74.49 5.80 1 8 -22 68.09 10.80 1 8 -22 77.39 7.40 1 8 -22 74.69 6.60 -1 -8 22 78.19 8.10 -1 -8 22 75.19 8.80 0 8 -22 33.60 7.20 0 8 -22 34.30 5.00 0 8 -22 25.60 7.80 0 8 -22 37.40 6.10 0 8 -22 32.50 4.40 0 -8 22 36.90 6.80 0 -8 22 35.10 6.60 -1 8 -22 0.10 4.30 -1 8 -22 12.40 6.10 -1 8 -22 13.80 4.80 -1 8 -22 3.20 3.10 -1 8 -22 1.80 3.60 1 -8 22 10.50 5.00 1 -8 22 3.50 4.90 -2 8 -22 260.17 12.90 -2 8 -22 260.67 10.50 -2 8 -22 241.68 16.50 -2 8 -22 238.78 14.50 2 -8 22 261.17 13.70 2 -8 22 258.07 14.50 -3 8 -22 39.60 7.10 -3 8 -22 30.60 5.40 -3 8 -22 25.70 7.50 -3 8 -22 27.80 3.50 3 -8 22 29.50 6.10 -4 8 -22 47.10 7.00 -4 8 -22 47.90 5.70 4 -8 22 32.90 6.00 -5 8 -22 213.98 12.60 -5 8 -22 222.48 10.10 5 -8 22 222.98 11.60 5 7 -22 95.39 7.50 -5 -7 22 87.89 6.80 4 7 -22 303.07 15.60 4 7 -22 312.47 13.60 -4 -7 22 308.77 14.20 3 7 -22 6.80 4.30 3 7 -22 10.20 4.50 3 7 -22 -0.80 2.60 -3 -7 22 6.40 4.70 2 7 -22 135.79 11.10 2 7 -22 130.39 15.00 2 7 -22 134.29 8.90 2 7 -22 159.18 10.30 2 7 -22 145.19 7.80 -2 -7 22 141.89 11.30 1 7 -22 2.00 4.90 1 7 -22 3.10 5.60 1 7 -22 -1.50 4.00 1 7 -22 2.40 3.80 1 7 -22 -1.30 3.20 -1 -7 22 3.60 5.10 0 7 -22 2.00 3.80 0 7 -22 4.20 6.00 0 7 -22 6.20 3.50 0 7 -22 12.70 5.50 0 7 -22 0.10 4.30 0 -7 22 10.30 5.70 -1 7 -22 38.50 6.50 -1 7 -22 41.90 8.20 -1 7 -22 27.50 8.30 -1 7 -22 34.10 5.20 -1 7 -22 39.00 4.60 1 -7 22 39.00 7.60 1 -7 22 32.60 6.80 -2 7 -22 7.70 6.00 -2 7 -22 9.70 6.00 -2 7 -22 -1.10 5.00 -2 7 -22 4.30 3.10 -2 7 -22 2.80 5.00 2 -7 22 0.20 5.70 2 -7 22 6.20 5.10 -3 7 -22 161.58 12.00 -3 7 -22 170.58 10.60 -3 7 -22 132.89 13.30 -3 7 -22 158.58 11.90 3 -7 22 165.98 12.90 -4 7 -22 7.70 5.60 -4 7 -22 1.70 6.10 -4 7 -22 3.50 4.40 -4 7 -22 11.60 6.20 4 -7 22 0.80 7.50 4 -7 22 5.50 5.00 -5 7 -22 2.60 4.10 -5 7 -22 -0.30 3.30 5 -7 22 2.20 4.30 5 -7 22 0.60 6.70 -6 7 -22 149.88 7.40 -6 7 -22 130.99 8.90 6 -7 22 145.39 9.30 6 6 -22 4.60 2.90 -6 -6 22 5.20 3.30 5 6 -22 14.90 4.00 -5 -6 22 8.50 4.40 4 6 -22 -0.20 5.40 4 6 -22 3.50 4.00 -4 -6 22 9.60 4.90 3 6 -22 15.30 6.50 3 6 -22 19.70 7.60 3 6 -22 9.60 4.80 3 6 -22 15.10 3.10 2 6 -22 45.00 7.40 2 6 -22 47.90 8.50 2 6 -22 31.70 8.30 2 6 -22 39.10 4.50 2 6 -22 35.90 6.20 -2 -6 22 23.10 7.10 1 6 -22 151.58 15.80 1 6 -22 162.98 11.60 1 6 -22 143.09 12.80 1 6 -22 156.58 13.50 -1 -6 22 176.28 13.90 0 6 -22 1.40 5.80 0 6 -22 -0.20 5.10 0 6 -22 5.60 6.40 0 6 -22 0.20 4.70 0 -6 22 1.30 5.80 -1 6 -22 22.20 7.20 -1 6 -22 19.30 6.90 -1 6 -22 21.20 3.60 -1 6 -22 26.10 7.90 -1 6 -22 22.30 6.10 1 -6 22 26.60 7.90 1 -6 22 25.00 8.10 -2 6 -22 44.20 7.90 -2 6 -22 49.20 9.30 -2 6 -22 47.70 8.20 -2 6 -22 51.49 7.00 2 -6 22 45.70 10.40 2 -6 22 40.60 11.60 2 -6 22 42.90 7.40 2 -6 22 41.20 8.20 -3 6 -22 49.99 7.50 -3 6 -22 45.30 7.90 -3 6 -22 31.60 6.90 -3 6 -22 28.90 8.00 3 -6 22 44.60 12.10 3 -6 22 40.70 8.70 3 -6 22 32.20 9.30 -4 6 -22 78.39 9.20 -4 6 -22 54.99 7.90 -4 6 -22 69.09 6.90 -4 6 -22 66.39 10.00 4 -6 22 72.79 9.50 4 -6 22 75.19 10.10 -5 6 -22 10.30 3.80 -5 6 -22 8.00 4.70 -5 6 -22 6.50 4.70 5 -6 22 13.30 5.50 5 -6 22 16.00 6.00 -6 6 -22 102.29 6.10 -6 6 -22 104.09 8.00 -6 6 -22 109.09 9.50 6 -6 22 91.09 9.50 6 -6 22 86.49 9.80 6 5 -22 3.70 3.20 -6 -5 22 8.10 4.30 5 5 -22 1.50 3.70 5 5 -22 9.90 5.00 -5 -5 22 9.80 5.40 4 5 -22 70.09 9.20 4 5 -22 87.89 8.50 4 5 -22 78.59 10.00 -4 -5 22 65.89 9.30 3 5 -22 5.90 4.60 3 5 -22 14.30 6.60 -3 -5 22 11.10 6.30 2 5 -22 32.40 8.00 2 5 -22 27.20 6.00 2 5 -22 29.30 6.90 2 5 -22 25.90 7.50 -2 -5 22 29.60 4.60 -2 -5 22 38.80 8.70 1 5 -22 11.80 9.30 1 5 -22 0.00 5.70 1 5 -22 5.00 6.20 1 5 -22 -0.90 4.50 -1 -5 22 6.40 6.30 -1 -5 22 9.50 4.20 0 5 -22 328.27 19.00 0 5 -22 340.67 18.60 0 5 -22 324.47 21.20 0 5 -22 347.67 16.80 0 -5 22 376.96 20.80 0 -5 22 330.77 18.00 -1 5 -22 22.10 6.80 -1 5 -22 20.40 6.10 -1 5 -22 18.40 7.00 -1 5 -22 32.60 8.60 1 -5 22 24.60 8.40 1 -5 22 34.70 7.90 1 -5 22 29.10 8.60 -2 5 -22 6.50 5.40 -2 5 -22 7.40 9.40 -2 5 -22 0.40 5.80 -2 5 -22 -4.70 4.40 2 -5 22 2.10 5.10 2 -5 22 4.80 6.30 2 -5 22 -1.90 5.50 2 -5 22 2.70 3.90 2 -5 22 1.60 6.90 -3 5 -22 31.00 7.00 -3 5 -22 36.60 6.10 -3 5 -22 47.90 8.10 -3 5 -22 33.50 8.20 3 -5 22 30.70 8.40 3 -5 22 32.20 8.00 3 -5 22 40.20 8.80 3 -5 22 41.50 5.60 -4 5 -22 80.29 9.30 -4 5 -22 83.09 10.80 -4 5 -22 96.09 9.60 -4 5 -22 92.79 7.70 4 -5 22 89.89 7.60 4 -5 22 98.89 11.80 4 -5 22 92.09 10.80 4 -5 22 88.39 12.30 -5 5 -22 9.40 5.10 -5 5 -22 2.50 4.30 -5 5 -22 13.70 4.00 -5 5 -22 12.40 6.40 5 -5 22 4.60 5.50 5 -5 22 10.40 6.00 -6 5 -22 56.79 6.60 -6 5 -22 52.19 6.60 6 -5 22 49.70 10.00 6 -5 22 63.49 8.60 7 4 -22 3.40 2.40 -7 -4 22 10.50 4.00 6 4 -22 88.19 8.80 6 4 -22 103.79 7.20 -6 -4 22 80.19 8.50 5 4 -22 64.39 6.80 5 4 -22 76.69 9.30 -5 -4 22 71.29 9.40 4 4 -22 28.60 5.70 4 4 -22 19.60 6.60 -4 -4 22 29.30 7.60 3 4 -22 19.90 7.20 3 4 -22 18.10 5.50 -3 -4 22 22.60 6.90 2 4 -22 68.19 10.00 2 4 -22 68.79 8.10 2 4 -22 63.19 8.50 2 4 -22 83.29 11.20 -2 -4 22 73.99 7.30 -2 -4 22 58.09 9.10 1 4 -22 3.00 4.90 1 4 -22 8.20 5.40 1 4 -22 5.60 6.20 1 4 -22 10.50 6.60 -1 -4 22 24.10 7.80 -1 -4 22 8.70 5.90 -1 -4 22 5.10 7.40 -1 -4 22 12.30 4.80 0 4 -22 20.40 7.20 0 4 -22 25.40 6.80 0 4 -22 31.70 6.40 0 4 -22 21.90 11.50 0 -4 22 19.00 8.00 0 -4 22 19.50 7.70 0 -4 22 22.30 5.40 0 -4 22 32.70 7.90 -1 4 -22 71.19 8.00 -1 4 -22 61.89 9.70 -1 4 -22 76.99 10.10 -1 4 -22 83.89 14.30 1 -4 22 79.89 8.40 1 -4 22 94.49 12.10 1 -4 22 77.09 12.20 1 -4 22 77.59 12.30 -2 4 -22 106.89 11.60 -2 4 -22 89.19 10.70 -2 4 -22 97.89 8.80 -2 4 -22 79.99 11.60 2 -4 22 90.19 13.00 2 -4 22 103.79 13.20 2 -4 22 98.59 9.10 2 -4 22 94.49 12.20 -3 4 -22 126.39 10.60 -3 4 -22 99.99 10.40 -3 4 -22 156.78 17.90 -3 4 -22 139.29 14.30 3 -4 22 123.29 14.70 3 -4 22 146.69 14.40 3 -4 22 123.29 13.60 -4 4 -22 74.49 8.60 -4 4 -22 82.89 10.60 -4 4 -22 102.79 7.70 -4 4 -22 88.79 9.60 4 -4 22 101.39 11.90 4 -4 22 83.09 12.00 4 -4 22 95.39 8.20 4 -4 22 97.29 12.00 -5 4 -22 165.18 11.00 -5 4 -22 137.79 10.60 -5 4 -22 154.18 8.60 -5 4 -22 152.68 14.20 5 -4 22 147.99 12.80 5 -4 22 130.79 8.30 5 -4 22 132.69 14.00 5 -4 22 139.29 13.00 -6 4 -22 29.40 5.10 -6 4 -22 21.00 5.10 6 -4 22 23.70 6.10 6 -4 22 19.80 5.50 7 3 -22 22.80 4.80 -7 -3 22 21.30 7.50 6 3 -22 23.70 5.60 6 3 -22 35.20 4.70 -6 -3 22 20.30 5.60 5 3 -22 262.27 15.50 5 3 -22 256.57 12.30 -5 -3 22 258.37 11.70 -5 -3 22 275.87 16.00 4 3 -22 6.70 4.50 4 3 -22 -0.80 6.10 -4 -3 22 1.10 5.30 3 3 -22 105.59 11.30 3 3 -22 132.09 9.80 -3 -3 22 112.49 12.00 -3 -3 22 142.59 10.10 2 3 -22 8.30 4.70 2 3 -22 5.80 9.10 2 3 -22 7.90 4.70 2 3 -22 -1.60 5.90 -2 -3 22 2.60 6.40 -2 -3 22 -3.90 6.40 -2 -3 22 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15.90 5 -3 22 252.37 18.10 5 -3 22 251.77 15.90 -6 3 -22 104.79 8.00 -6 3 -22 93.39 8.90 6 -3 22 118.49 13.00 6 -3 22 91.09 10.20 6 -3 22 114.19 6.50 7 2 -22 1.60 4.80 -7 -2 22 6.30 4.50 6 2 -22 11.90 5.30 6 2 -22 14.60 3.50 -6 -2 22 14.00 3.80 -6 -2 22 14.00 5.50 5 2 -22 115.69 7.80 5 2 -22 137.29 12.50 -5 -2 22 123.79 8.80 -5 -2 22 117.89 11.80 4 2 -22 130.69 9.10 4 2 -22 136.39 13.10 -4 -2 22 107.39 9.20 3 2 -22 8.60 4.40 3 2 -22 14.50 6.90 -3 -2 22 12.20 7.60 -3 -2 22 24.70 8.00 -3 -2 22 8.10 5.30 -3 -2 22 29.40 6.90 2 2 -22 251.07 12.60 2 2 -22 263.47 16.70 2 2 -22 235.78 14.40 -2 -2 22 264.67 16.50 -2 -2 22 222.78 17.20 -2 -2 22 249.08 17.50 -2 -2 22 224.48 13.80 1 2 -22 154.98 10.10 1 2 -22 163.88 14.00 1 2 -22 139.69 10.90 -1 -2 22 153.68 15.10 -1 -2 22 157.78 11.90 -1 -2 22 150.88 14.30 0 2 -22 7.80 5.90 0 2 -22 10.30 6.30 0 2 -22 4.60 4.30 0 2 -22 10.70 5.10 0 -2 22 3.30 6.90 0 -2 22 10.50 7.30 0 -2 22 14.20 7.00 0 -2 22 5.80 5.20 -1 2 -22 143.49 11.30 -1 2 -22 123.59 12.20 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-13 0 6 0.11 0.00 12 1 6 0.22 0.00 10 5 6 -0.61 0.00 -12 8 6 0.05 0.00 -8 12 6 -0.08 0.00 -4 13 6 0.20 0.00 -3 13 6 0.16 0.00 -5 -12 7 0.56 0.00 -10 -7 7 0.13 0.00 -13 0 7 -0.13 0.00 11 3 7 0.22 0.00 1 12 7 -0.24 0.00 6 -14 8 -0.44 0.00 12 -8 8 -0.14 0.00 -10 -7 8 -0.22 0.00 12 0 8 0.55 0.00 -13 1 8 0.06 0.00 -13 3 8 -0.20 0.00 -13 4 8 -0.31 0.00 -10 10 8 -0.17 0.00 0 12 8 0.09 0.00 6 -14 9 0.42 0.00 -3 -13 9 0.24 0.00 8 -13 9 0.01 0.00 11 -10 9 -0.38 0.00 -12 -3 9 -0.19 0.00 12 -1 9 -0.45 0.00 11 2 9 -0.45 0.00 -8 11 9 0.22 0.00 2 11 9 0.01 0.00 -5 12 9 0.16 0.00 0 -14 10 -0.29 0.00 -3 -13 10 -0.16 0.00 10 -11 10 0.40 0.00 12 -7 10 -0.11 0.00 -11 -5 10 -0.18 0.00 12 -2 10 0.21 0.00 -12 6 10 -0.45 0.00 -11 8 10 -0.04 0.00 -9 10 10 -0.11 0.00 1 11 10 -0.29 0.00 0 -14 11 0.22 0.00 5 -14 11 0.36 0.00 9 -12 11 -0.12 0.00 -6 -11 11 0.16 0.00 11 -9 11 -0.33 0.00 -9 -8 11 0.37 0.00 12 -5 11 0.36 0.00 12 -4 11 0.17 0.00 -12 -2 11 -0.08 0.00 0 11 11 0.45 0.00 1 -14 12 -0.25 0.00 4 -14 12 -0.28 0.00 -7 -10 12 -0.25 0.00 -8 -9 12 -0.31 0.00 10 2 12 0.71 0.00 5 8 12 -0.44 0.00 -4 11 12 -0.14 0.00 -3 11 12 -0.18 0.00 -2 11 12 -0.27 0.00 2 -14 13 0.21 0.00 3 -14 13 0.19 0.00 -2 -13 13 0.08 0.00 10 -10 13 -0.55 0.00 -10 -6 13 0.47 0.00 -11 -4 13 0.38 0.00 -12 0 13 -0.12 0.00 -12 3 13 -0.07 0.00 -11 6 13 0.47 0.00 6 -13 14 -0.19 0.00 11 -6 14 0.01 0.00 11 -5 14 -0.09 0.00 11 -4 14 -0.09 0.00 8 4 14 0.50 0.00 -10 7 14 -0.28 0.00 -9 8 14 -0.24 0.00 2 9 14 -0.21 0.00 -5 10 14 0.23 0.00 -1 10 14 -0.17 0.00 -1 -13 15 0.08 0.00 -5 -11 15 -0.02 0.00 -11 4 15 0.14 0.00 3 8 15 0.00 0.00 0 -13 16 -0.10 0.00 -3 -12 16 0.09 0.00 8 -11 16 -0.18 0.00 -6 -10 16 0.08 0.00 -7 -9 16 0.07 0.00 10 -7 16 0.20 0.00 10 -2 16 -0.06 0.00 -11 -1 16 -0.17 0.00 6 5 16 0.34 0.00 5 6 16 0.31 0.00 2 8 16 0.12 0.00 -5 9 16 0.29 0.00 -1 9 16 0.09 0.00 1 -13 17 0.01 0.00 2 -13 17 -0.01 0.00 3 -13 17 0.01 0.00 6 -12 17 0.15 0.00 -9 -6 17 0.22 0.00 -9 6 17 0.25 0.00 -8 7 17 0.26 0.00 5 -12 18 -0.16 0.00 -5 -10 18 0.23 0.00 -8 -7 18 0.03 0.00 9 -2 18 -0.30 0.00 -10 3 18 0.37 0.00 -9 5 18 0.00 0.00 -7 7 18 -0.16 0.00 -4 8 18 0.08 0.00 -3 8 18 0.10 0.00 -2 8 18 0.10 0.00 0 -12 19 -0.05 0.00 4 -12 19 0.13 0.00 -3 -11 19 -0.10 0.00 6 -11 19 0.15 0.00 7 -10 19 0.19 0.00 0 7 19 -0.12 0.00 -2 -11 20 0.06 0.00 5 -11 20 -0.11 0.00 -4 -10 20 0.23 0.00 7 -9 20 -0.09 0.00 -7 -7 20 0.23 0.00 8 -7 20 0.30 0.00 -9 -3 20 -0.30 0.00 8 -3 20 0.06 0.00 7 0 20 -0.42 0.00 -9 2 20 0.46 0.00 5 3 20 -0.15 0.00 -8 4 20 0.44 0.00 4 4 20 -0.10 0.00 3 -11 21 0.15 0.00 -3 -10 21 -0.16 0.00 7 -8 21 -0.01 0.00 5 2 21 0.26 0.00 4 3 21 0.33 0.00 -7 4 21 -0.53 0.00 -6 5 21 -0.27 0.00 1 5 21 0.27 0.00 -2 -10 22 0.07 0.00 4 -10 22 -0.08 0.00 6 -8 22 -0.20 0.00 -7 -5 22 0.07 0.00 -8 -2 22 -0.48 0.00 -8 -1 22 -0.51 0.00 6 -1 22 0.04 0.00 -8 0 22 -0.28 0.00 4 2 22 -0.27 0.00 3 3 22 -0.40 0.00 -3 5 22 -0.06 0.00 -2 5 22 -0.16 0.00 1 -10 23 0.03 0.00 4 -9 23 0.05 0.00 -4 -8 23 -0.16 0.00 5 -8 23 0.23 0.00 -5 -7 23 -0.27 0.00 6 -5 23 -0.03 0.00 6 -4 23 -0.24 0.00 -7 -3 23 0.32 0.00 5 -1 23 -0.23 0.00 -3 4 23 -0.15 0.00 -2 4 23 -0.02 0.00 -1 4 23 0.09 0.00 0 -9 24 0.00 0.00 1 -9 24 -0.01 0.00 -4 -7 24 0.18 0.00 5 -5 24 -0.20 0.00 5 -4 24 -0.05 0.00 4 -1 24 0.21 0.00 -6 0 24 -0.26 0.00 -4 2 24 0.47 0.00 1 2 24 0.12 0.00 -2 -7 25 -0.10 0.00 -4 -5 25 -0.05 0.00 -5 -3 25 0.21 0.00 -5 -2 25 0.38 0.00 3 -2 25 0.16 0.00 -5 -1 25 0.38 0.00 -3 1 25 -0.27 0.00 0 1 25 -0.34 0.00 0 -6 26 -0.17 0.00 -2 -5 26 -0.23 0.00 1 -5 26 -0.15 0.00 -3 -4 26 -0.24 0.00 -3 -3 26 -0.36 0.00 -3 -2 26 -0.37 0.00 1 -2 26 -0.35 0.00 -2 -1 26 -0.25 0.00 -1 -1 26 -0.20 0.00 0 -1 26 -0.16 0.00 0 0 0 0.00 0.00 # SQUEEZE RESULTS (Version = 260918) # 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 0.500 131 41 ' ' # 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 4.246 3 0 0 12.833 -3 1 0 12.472 -2 1 0 8.489 1 1 0 6.554 -1 2 0 8.192 -1 -2 1 9.745 0 -2 1 7.856 1 -1 1 5.329 3 -1 1 12.739 2 0 1 9.029 0 1 1 5.057 -1 2 1 8.875 0 -2 2 8.190 -1 -1 2 6.990 3 -1 2 13.371 0 0 2 4.347 -1 1 2 7.054 1 2 2 11.960 0 -2 3 9.057 2 -1 3 10.699 -1 0 3 7.382 0 0 3 6.528 3 0 3 15.110 -1 1 3 8.719 0 1 3 8.521 0 -4 4 16.554 -1 -1 4 9.647 -1 -2 5 12.895 1 -1 5 11.571 _platon_squeeze_void_probe_radius 1.20 _platon_squeeze_details ) TITL cu_molan624b_0m_aP -1 R = 0.11 CELL 10.7552 11.5789 21.0514 103.46 93.12 103.01 SPGR P-1 # Solvent Accessible Volume = 131 # Electrons Found in S.A.V. = 41 # Note: Atoms in Void are Labelled as Cxxx and Qxxx for all Others C101 0.034 0.103 0.450 ! 12.34 eA-3 C102 0.926 0.993 0.484 ! 1.96 eA-3 Q103 0.733 0.229 0.078 ! 0.96 eA-3 Q104 0.377 0.313 0.208 ! 0.80 eA-3 Q105 0.998 0.270 0.376 ! 0.75 eA-3 Q106 0.019 0.562 0.417 ! 0.74 eA-3 Q107 0.719 0.344 0.250 ! 0.73 eA-3 Q108 0.983 0.198 0.082 ! 0.59 eA-3 Q109 0.174 0.829 0.191 ! 0.59 eA-3 Q110 0.590 0.130 0.063 ! 0.56 eA-3 Q111 0.201 0.120 0.018 ! 0.53 eA-3 Q112 0.295 0.285 0.186 ! 0.53 eA-3 Q113 0.520 0.451 0.265 ! 0.50 eA-3 ) ; _shelx_fab_checksum 44314 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 Zn1 Zn 0.43350(2) 0.57253(2) 0.74498(2) 0.02288(7) Uani 1 1 d . . . . . Co1 Co 0.84364(3) 0.20644(3) 0.79468(2) 0.02348(9) Uani 1 1 d . . . . . Cl1 Cl 0.33199(12) 0.85877(10) 0.94568(4) 0.0892(3) Uani 1 1 d . . . . . O1 O 0.54542(15) 0.70979(13) 0.80757(7) 0.0311(3) Uani 1 1 d . . . . . N1 N 0.40106(15) 0.41637(14) 0.77645(8) 0.0216(3) Uani 1 1 d . . . . . C1 C 0.41689(18) 0.28605(17) 0.67636(9) 0.0217(4) Uani 1 1 d . . . . . Cl2 Cl 0.27230(7) 0.96242(6) 0.83861(3) 0.05289(17) Uani 1 1 d . . . . . O2 O 0.28742(15) 0.64113(13) 0.73224(7) 0.0315(3) Uani 1 1 d . . . . . N2 N 0.39137(15) 0.30694(14) 0.73929(8) 0.0219(3) Uani 1 1 d . . . . . C2 C 0.38777(18) 0.15346(18) 0.64192(9) 0.0238(4) Uani 1 1 d . . . . . N3 N 0.46848(15) 0.36289(15) 0.63993(8) 0.0224(3) Uani 1 1 d . . . . . C3 C 0.3502(2) 0.0630(2) 0.67534(10) 0.0332(5) Uani 1 1 d . . . . . H3 H 0.347591 0.086354 0.721507 0.040 Uiso 1 1 calc R U . . . N4 N 0.48922(15) 0.48159(15) 0.66147(8) 0.0227(3) Uani 1 1 d . . . . . C4 C 0.3163(2) -0.0606(2) 0.64281(11) 0.0360(5) Uani 1 1 d . . . . . H4 H 0.292022 -0.119895 0.667250 0.043 Uiso 1 1 calc R U . . . C5 C 0.3172(2) -0.0990(2) 0.57550(11) 0.0340(5) Uani 1 1 d . . . . . C6 C 0.2742(3) -0.2323(2) 0.53975(12) 0.0467(6) Uani 1 1 d . . . . . H6A H 0.258153 -0.240000 0.492496 0.070 Uiso 1 1 calc R U . . . H6B H 0.195021 -0.270009 0.555727 0.070 Uiso 1 1 calc R U . . . H6C H 0.341276 -0.273805 0.547734 0.070 Uiso 1 1 calc R U . . . C7 C 0.3598(3) -0.0092(2) 0.54281(11) 0.0462(6) Uani 1 1 d . . . . . H7 H 0.365538 -0.032909 0.496932 0.055 Uiso 1 1 calc R U . . . C8 C 0.3946(3) 0.1147(2) 0.57501(10) 0.0380(5) Uani 1 1 d . . . . . H8 H 0.423352 0.173577 0.550834 0.046 Uiso 1 1 calc R U . . . C9 C 0.37662(17) 0.41385(18) 0.84214(9) 0.0219(4) Uani 1 1 d . . . . . C10 C 0.38870(19) 0.52535(19) 0.88784(10) 0.0267(4) Uani 1 1 d . . . . . H10 H 0.412096 0.599901 0.874868 0.032 Uiso 1 1 calc R U . . . C11 C 0.3665(2) 0.5272(2) 0.95236(10) 0.0311(4) Uani 1 1 d . . . . . H11 H 0.374309 0.603297 0.983388 0.037 Uiso 1 1 calc R U . . . C12 C 0.3329(2) 0.4191(2) 0.97189(10) 0.0332(5) Uani 1 1 d . . . . . H12 H 0.318001 0.420908 1.016142 0.040 Uiso 1 1 calc R U . . . C14 C 0.3423(2) 0.30450(19) 0.86179(10) 0.0292(4) Uani 1 1 d . . . . . H14 H 0.333511 0.228104 0.830878 0.035 Uiso 1 1 calc R U . . . C13 C 0.3212(2) 0.3081(2) 0.92633(11) 0.0344(5) Uani 1 1 d . . . . . H13 H 0.298499 0.233907 0.939657 0.041 Uiso 1 1 calc R U . . . C15 C 0.55186(19) 0.54541(18) 0.61745(9) 0.0249(4) Uani 1 1 d . . . . . C16 C 0.61727(19) 0.4909(2) 0.56809(10) 0.0286(4) Uani 1 1 d . . . . . H16 H 0.622500 0.408588 0.563390 0.034 Uiso 1 1 calc R U . . . C17 C 0.6745(2) 0.5571(2) 0.52602(11) 0.0334(5) Uani 1 1 d . . . . . H17 H 0.718102 0.519683 0.492075 0.040 Uiso 1 1 calc R U . . . C18 C 0.6686(2) 0.6775(2) 0.53308(11) 0.0383(5) Uani 1 1 d . . . . . H18 H 0.709017 0.722988 0.504456 0.046 Uiso 1 1 calc R U . . . C19 C 0.6034(3) 0.7316(2) 0.58201(12) 0.0443(6) Uani 1 1 d . . . . . H19 H 0.598478 0.813944 0.586508 0.053 Uiso 1 1 calc R U . . . C20 C 0.5453(2) 0.6662(2) 0.62453(10) 0.0348(5) Uani 1 1 d . . . . . H20 H 0.501399 0.703818 0.658265 0.042 Uiso 1 1 calc R U . . . C21 C 0.6628(2) 0.71991(18) 0.83209(11) 0.0294(4) Uani 1 1 d . . . . . C22 C 0.7607(2) 0.69576(19) 0.79343(11) 0.0317(4) Uani 1 1 d . . . . . H22 H 0.741477 0.669158 0.746986 0.038 Uiso 1 1 calc R U . . . C23 C 0.8851(2) 0.7097(2) 0.82128(12) 0.0368(5) Uani 1 1 d . . . . . H23 H 0.948914 0.692017 0.793632 0.044 Uiso 1 1 calc R U . . . C24 C 0.9176(2) 0.7493(2) 0.88904(13) 0.0402(5) Uani 1 1 d . . . . . H24 H 1.002503 0.757865 0.907875 0.048 Uiso 1 1 calc R U . . . C25 C 0.8244(2) 0.7757(2) 0.92818(12) 0.0402(5) Uani 1 1 d . . . . . H25 H 0.845552 0.803429 0.974487 0.048 Uiso 1 1 calc R U . . . C26 C 0.6985(2) 0.7624(2) 0.90091(11) 0.0348(5) Uani 1 1 d . . . . . H26 H 0.636050 0.782218 0.929012 0.042 Uiso 1 1 calc R U . . . C27 C 0.1930(2) 0.60094(19) 0.68702(10) 0.0299(4) Uani 1 1 d . . . . . C28 C 0.1750(2) 0.4916(2) 0.63707(10) 0.0316(4) Uani 1 1 d . . . . . H28 H 0.236409 0.443806 0.635748 0.038 Uiso 1 1 calc R U . . . C29 C 0.0682(2) 0.4524(2) 0.58952(11) 0.0391(5) Uani 1 1 d . . . . . H29 H 0.059338 0.378408 0.556593 0.047 Uiso 1 1 calc R U . . . C30 C -0.0222(2) 0.5154(3) 0.58870(12) 0.0448(6) Uani 1 1 d . . . . . H30 H -0.093759 0.486846 0.555801 0.054 Uiso 1 1 calc R U . . . C31 C -0.0083(2) 0.6261(3) 0.63827(13) 0.0433(6) Uani 1 1 d . . . . . H31 H -0.071428 0.671939 0.638989 0.052 Uiso 1 1 calc R U . . . C32 C 0.0978(2) 0.6670(2) 0.68558(12) 0.0373(5) Uani 1 1 d . . . . . H32 H 0.106488 0.741720 0.717927 0.045 Uiso 1 1 calc R U . . . C33 C 0.66353(18) 0.17992(18) 0.82437(10) 0.0249(4) Uani 1 1 d . . . . . C34 C 0.66480(19) 0.09012(18) 0.76502(10) 0.0260(4) Uani 1 1 d . . . . . C35 C 0.70475(18) 0.15321(19) 0.71600(10) 0.0261(4) Uani 1 1 d . . . . . C36 C 0.72839(18) 0.28194(18) 0.74479(10) 0.0248(4) Uani 1 1 d . . . . . C37 C 0.70243(18) 0.29881(18) 0.81190(10) 0.0244(4) Uani 1 1 d . . . . . C38 C 0.6250(2) 0.1542(2) 0.88796(11) 0.0365(5) Uani 1 1 d . . . . . H38A H 0.533296 0.150405 0.889693 0.055 Uiso 1 1 calc R U . . . H38B H 0.674998 0.219600 0.924714 0.055 Uiso 1 1 calc R U . . . H38C H 0.641341 0.075661 0.891079 0.055 Uiso 1 1 calc R U . . . C39 C 0.6258(2) -0.04548(19) 0.75527(12) 0.0352(5) Uani 1 1 d . . . . . H39A H 0.534005 -0.075341 0.739624 0.053 Uiso 1 1 calc R U . . . H39B H 0.642403 -0.065811 0.797085 0.053 Uiso 1 1 calc R U . . . H39C H 0.675336 -0.084335 0.722709 0.053 Uiso 1 1 calc R U . . . C40 C 0.7139(2) 0.0938(2) 0.64591(11) 0.0356(5) Uani 1 1 d . . . . . H40A H 0.627674 0.063858 0.621782 0.053 Uiso 1 1 calc R U . . . H40B H 0.753561 0.024836 0.644002 0.053 Uiso 1 1 calc R U . . . H40C H 0.766506 0.153585 0.625990 0.053 Uiso 1 1 calc R U . . . C41 C 0.7704(2) 0.3804(2) 0.70997(12) 0.0342(5) Uani 1 1 d . . . . . H41A H 0.834180 0.358986 0.680823 0.051 Uiso 1 1 calc R U . . . H41B H 0.808499 0.458197 0.742318 0.051 Uiso 1 1 calc R U . . . H41C H 0.696014 0.388694 0.683936 0.051 Uiso 1 1 calc R U . . . C42 C 0.7112(2) 0.41777(19) 0.86049(11) 0.0308(4) Uani 1 1 d . . . . . H42A H 0.778520 0.481699 0.850682 0.046 Uiso 1 1 calc R U . . . H42B H 0.732245 0.409821 0.904906 0.046 Uiso 1 1 calc R U . . . H42C H 0.628718 0.439924 0.857780 0.046 Uiso 1 1 calc R U . . . C43 C 0.9629(2) 0.1460(2) 0.85172(12) 0.0338(5) Uani 1 1 d . . . . . C44 C 0.9828(2) 0.1098(2) 0.78423(12) 0.0337(5) Uani 1 1 d . . . . . C45 C 1.0208(2) 0.2182(2) 0.76140(13) 0.0365(5) Uani 1 1 d . . . . . C46 C 1.0237(2) 0.3214(2) 0.81438(13) 0.0382(5) Uani 1 1 d . . . . . C47 C 0.9878(2) 0.2771(2) 0.87074(12) 0.0373(5) Uani 1 1 d . . . . . C48 C 0.9275(3) 0.0622(2) 0.89539(13) 0.0445(6) Uani 1 1 d . . . . . H48A H 0.867049 -0.013489 0.870354 0.067 Uiso 1 1 calc R U . . . H48B H 0.887300 0.102193 0.932168 0.067 Uiso 1 1 calc R U . . . H48C H 1.004937 0.042879 0.912397 0.067 Uiso 1 1 calc R U . . . C49 C 0.9709(2) -0.0188(2) 0.74422(14) 0.0425(6) Uani 1 1 d . . . . . H49A H 0.933864 -0.027571 0.699258 0.064 Uiso 1 1 calc R U . . . H49B H 0.914926 -0.076647 0.764007 0.064 Uiso 1 1 calc R U . . . H49C H 1.056027 -0.035872 0.743303 0.064 Uiso 1 1 calc R U . . . C50 C 1.0539(2) 0.2197(3) 0.69328(15) 0.0514(7) Uani 1 1 d . . . . . H50A H 1.000862 0.146620 0.661841 0.077 Uiso 1 1 calc R U . . . H50B H 1.144816 0.220300 0.691094 0.077 Uiso 1 1 calc R U . . . H50C H 1.037657 0.293189 0.682395 0.077 Uiso 1 1 calc R U . . . C51 C 1.0604(2) 0.4528(2) 0.81194(18) 0.0556(8) Uani 1 1 d . . . . . H51A H 1.044733 0.458215 0.766547 0.083 Uiso 1 1 calc R U . . . H51B H 1.151687 0.487326 0.827797 0.083 Uiso 1 1 calc R U . . . H51C H 1.008881 0.498926 0.839868 0.083 Uiso 1 1 calc R U . . . C52 C 0.9819(3) 0.3537(3) 0.93776(14) 0.0532(7) Uani 1 1 d . . . . . H52A H 0.968582 0.433135 0.934315 0.080 Uiso 1 1 calc R U . . . H52B H 1.062670 0.366401 0.965286 0.080 Uiso 1 1 calc R U . . . H52C H 0.910520 0.311885 0.957621 0.080 Uiso 1 1 calc R U . . . C53 C 0.3231(3) 0.8420(2) 0.86139(12) 0.0424(6) Uani 1 1 d . . . . . H53A H 0.262312 0.763198 0.838952 0.051 Uiso 1 1 calc R U . . . H53B H 0.408646 0.839557 0.846753 0.051 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 Zn1 0.02660(14) 0.02172(13) 0.01969(13) 0.00485(9) 0.00177(10) 0.00522(10) Co1 0.01974(16) 0.02191(16) 0.02973(18) 0.00905(13) -0.00101(13) 0.00529(12) Cl1 0.1480(10) 0.1124(8) 0.0355(4) 0.0291(4) 0.0212(5) 0.0759(7) O1 0.0381(8) 0.0236(7) 0.0278(7) 0.0043(6) -0.0009(6) 0.0030(6) N1 0.0213(8) 0.0240(8) 0.0199(7) 0.0052(6) 0.0033(6) 0.0063(6) C1 0.0215(9) 0.0235(9) 0.0209(9) 0.0055(7) 0.0042(7) 0.0064(7) Cl2 0.0647(4) 0.0402(3) 0.0573(4) 0.0183(3) -0.0062(3) 0.0168(3) O2 0.0418(9) 0.0269(7) 0.0283(7) 0.0043(6) 0.0073(6) 0.0157(6) N2 0.0211(8) 0.0233(8) 0.0217(8) 0.0056(6) 0.0036(6) 0.0061(6) C2 0.0242(9) 0.0235(9) 0.0242(9) 0.0048(7) 0.0044(7) 0.0078(7) N3 0.0209(8) 0.0253(8) 0.0215(7) 0.0061(6) 0.0024(6) 0.0065(6) C3 0.0480(13) 0.0264(10) 0.0244(10) 0.0049(8) 0.0121(9) 0.0074(9) N4 0.0227(8) 0.0246(8) 0.0210(7) 0.0075(6) 0.0016(6) 0.0049(6) C4 0.0500(14) 0.0251(11) 0.0332(11) 0.0087(9) 0.0123(10) 0.0066(9) C5 0.0426(13) 0.0271(11) 0.0305(11) 0.0030(8) 0.0043(9) 0.0091(9) C6 0.0718(18) 0.0270(12) 0.0365(13) 0.0000(9) 0.0091(12) 0.0100(11) C7 0.0797(19) 0.0321(12) 0.0221(10) 0.0021(9) 0.0095(11) 0.0082(12) C8 0.0611(15) 0.0291(11) 0.0225(10) 0.0072(8) 0.0074(10) 0.0071(10) C9 0.0196(9) 0.0283(10) 0.0197(9) 0.0070(7) 0.0037(7) 0.0081(7) C10 0.0291(10) 0.0276(10) 0.0238(9) 0.0068(8) 0.0037(8) 0.0073(8) C11 0.0359(11) 0.0311(11) 0.0232(10) 0.0018(8) 0.0043(8) 0.0067(9) C12 0.0406(12) 0.0385(12) 0.0211(10) 0.0080(8) 0.0074(8) 0.0093(9) C14 0.0364(11) 0.0268(10) 0.0254(10) 0.0062(8) 0.0079(8) 0.0092(8) C13 0.0466(13) 0.0332(11) 0.0268(10) 0.0121(9) 0.0103(9) 0.0107(10) C15 0.0248(9) 0.0283(10) 0.0197(9) 0.0079(7) -0.0015(7) 0.0019(8) C16 0.0267(10) 0.0344(11) 0.0283(10) 0.0135(8) 0.0040(8) 0.0087(8) C17 0.0263(10) 0.0486(13) 0.0275(10) 0.0162(9) 0.0041(8) 0.0063(9) C18 0.0412(13) 0.0402(13) 0.0292(11) 0.0177(9) 0.0010(9) -0.0071(10) C19 0.0687(17) 0.0273(11) 0.0317(12) 0.0101(9) 0.0051(11) -0.0017(11) C20 0.0522(14) 0.0249(10) 0.0237(10) 0.0047(8) 0.0061(9) 0.0034(9) C21 0.0360(11) 0.0202(9) 0.0356(11) 0.0138(8) 0.0080(9) 0.0061(8) C22 0.0400(12) 0.0255(10) 0.0306(11) 0.0093(8) 0.0035(9) 0.0076(9) C23 0.0384(12) 0.0297(11) 0.0462(13) 0.0157(10) 0.0085(10) 0.0090(9) C24 0.0355(12) 0.0358(12) 0.0502(14) 0.0213(11) -0.0034(10) 0.0016(10) C25 0.0441(13) 0.0397(13) 0.0322(11) 0.0156(10) -0.0036(10) -0.0039(10) C26 0.0384(12) 0.0351(12) 0.0284(11) 0.0105(9) 0.0036(9) 0.0012(9) C27 0.0341(11) 0.0299(10) 0.0304(10) 0.0132(8) 0.0115(9) 0.0098(9) C28 0.0286(11) 0.0367(11) 0.0303(11) 0.0083(9) 0.0061(8) 0.0092(9) C29 0.0383(13) 0.0454(13) 0.0295(11) 0.0061(10) 0.0070(9) 0.0045(10) C30 0.0247(11) 0.0761(19) 0.0366(12) 0.0268(12) -0.0013(9) 0.0066(11) C31 0.0358(13) 0.0564(16) 0.0465(14) 0.0234(12) 0.0064(10) 0.0182(11) C32 0.0394(13) 0.0365(12) 0.0411(12) 0.0137(10) 0.0095(10) 0.0146(10) C33 0.0212(9) 0.0252(10) 0.0283(10) 0.0084(8) 0.0018(7) 0.0041(7) C34 0.0211(9) 0.0248(10) 0.0314(10) 0.0077(8) -0.0006(8) 0.0042(7) C35 0.0204(9) 0.0312(10) 0.0268(10) 0.0067(8) -0.0003(7) 0.0077(8) C36 0.0183(9) 0.0292(10) 0.0302(10) 0.0123(8) 0.0007(7) 0.0080(7) C37 0.0190(9) 0.0254(10) 0.0297(10) 0.0084(8) 0.0017(7) 0.0061(7) C38 0.0409(13) 0.0373(12) 0.0327(11) 0.0147(9) 0.0077(9) 0.0054(10) C39 0.0350(12) 0.0235(10) 0.0439(13) 0.0077(9) 0.0006(9) 0.0025(8) C40 0.0368(12) 0.0405(12) 0.0282(11) 0.0043(9) 0.0048(9) 0.0112(10) C41 0.0312(11) 0.0364(12) 0.0417(12) 0.0216(10) 0.0046(9) 0.0096(9) C42 0.0291(11) 0.0255(10) 0.0364(11) 0.0040(8) 0.0033(9) 0.0078(8) C43 0.0263(10) 0.0328(11) 0.0436(12) 0.0127(9) -0.0092(9) 0.0098(9) C44 0.0228(10) 0.0328(11) 0.0486(13) 0.0124(10) -0.0011(9) 0.0121(8) C45 0.0180(10) 0.0383(12) 0.0594(15) 0.0212(11) 0.0050(9) 0.0102(8) C46 0.0182(10) 0.0309(11) 0.0664(16) 0.0177(11) -0.0052(10) 0.0043(8) C47 0.0262(11) 0.0321(11) 0.0497(13) 0.0058(10) -0.0128(9) 0.0082(9) C48 0.0510(15) 0.0440(14) 0.0442(14) 0.0202(11) -0.0058(11) 0.0167(11) C49 0.0400(13) 0.0360(13) 0.0548(15) 0.0085(11) 0.0035(11) 0.0192(10) C50 0.0313(13) 0.0635(18) 0.0739(19) 0.0360(15) 0.0227(12) 0.0175(12) C51 0.0241(12) 0.0316(13) 0.111(3) 0.0259(14) -0.0046(13) 0.0005(9) C52 0.0480(15) 0.0465(15) 0.0527(16) -0.0072(12) -0.0253(12) 0.0143(12) C53 0.0595(16) 0.0413(13) 0.0320(12) 0.0091(10) 0.0052(11) 0.0238(12) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0181 0.0091 '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' Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Co Co -2.3653 3.6143 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Zn Zn -1.5491 0.6778 '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 O1 Zn1 O2 99.99(6) . . ? O1 Zn1 N4 123.55(7) . . ? O2 Zn1 N4 115.06(6) . . ? O1 Zn1 N1 112.80(6) . . ? O2 Zn1 N1 117.52(7) . . ? N4 Zn1 N1 89.18(6) . . ? C36 Co1 C47 133.81(9) . . ? C36 Co1 C46 108.12(9) . . ? C47 Co1 C46 41.11(10) . . ? C36 Co1 C33 68.98(8) . . ? C47 Co1 C33 113.63(9) . . ? C46 Co1 C33 143.60(10) . . ? C36 Co1 C37 40.98(8) . . ? C47 Co1 C37 108.94(9) . . ? C46 Co1 C37 112.40(9) . . ? C33 Co1 C37 41.04(8) . . ? C36 Co1 C35 40.91(8) . . ? C47 Co1 C35 173.91(9) . . ? C46 Co1 C35 133.81(9) . . ? C33 Co1 C35 68.70(8) . . ? C37 Co1 C35 68.82(8) . . ? C36 Co1 C43 174.51(9) . . ? C47 Co1 C43 41.00(9) . . ? C46 Co1 C43 68.91(9) . . ? C33 Co1 C43 110.44(9) . . ? C37 Co1 C43 135.14(9) . . ? C35 Co1 C43 144.40(9) . . ? C36 Co1 C45 112.51(9) . . ? C47 Co1 C45 68.76(10) . . ? C46 Co1 C45 40.71(10) . . ? C33 Co1 C45 175.39(9) . . ? C37 Co1 C45 142.78(9) . . ? C35 Co1 C45 109.34(9) . . ? C43 Co1 C45 68.53(10) . . ? C36 Co1 C34 68.89(8) . . ? C47 Co1 C34 144.47(10) . . ? C46 Co1 C34 174.19(10) . . ? C33 Co1 C34 40.83(8) . . ? C37 Co1 C34 68.91(8) . . ? C35 Co1 C34 40.77(8) . . ? C43 Co1 C34 114.48(9) . . ? C45 Co1 C34 135.06(9) . . ? C36 Co1 C44 143.36(9) . . ? C47 Co1 C44 68.86(9) . . ? C46 Co1 C44 68.78(9) . . ? C33 Co1 C44 135.62(9) . . ? C37 Co1 C44 175.46(9) . . ? C35 Co1 C44 113.78(9) . . ? C43 Co1 C44 40.69(10) . . ? C45 Co1 C44 40.77(9) . . ? C34 Co1 C44 110.38(9) . . ? C21 O1 Zn1 128.09(14) . . ? N2 N1 C9 111.90(15) . . ? N2 N1 Zn1 125.09(12) . . ? C9 N1 Zn1 122.86(12) . . ? N2 C1 N3 131.73(18) . . ? N2 C1 C2 113.45(16) . . ? N3 C1 C2 114.76(16) . . ? C27 O2 Zn1 128.58(13) . . ? N1 N2 C1 123.05(16) . . ? C8 C2 C3 117.06(19) . . ? C8 C2 C1 121.51(18) . . ? C3 C2 C1 121.41(17) . . ? N4 N3 C1 121.76(16) . . ? C4 C3 C2 121.63(19) . . ? C4 C3 H3 119.2 . . ? C2 C3 H3 119.2 . . ? N3 N4 C15 112.59(16) . . ? N3 N4 Zn1 126.26(12) . . ? C15 N4 Zn1 121.07(13) . . ? C5 C4 C3 121.3(2) . . ? C5 C4 H4 119.4 . . ? C3 C4 H4 119.4 . . ? C4 C5 C7 116.9(2) . . ? C4 C5 C6 121.3(2) . . ? C7 C5 C6 121.7(2) . . ? C5 C6 H6A 109.5 . . ? C5 C6 H6B 109.5 . . ? H6A C6 H6B 109.5 . . ? C5 C6 H6C 109.5 . . ? H6A C6 H6C 109.5 . . ? H6B C6 H6C 109.5 . . ? C5 C7 C8 122.1(2) . . ? C5 C7 H7 118.9 . . ? C8 C7 H7 118.9 . . ? C2 C8 C7 120.9(2) . . ? C2 C8 H8 119.6 . . ? C7 C8 H8 119.6 . . ? C10 C9 C14 119.63(17) . . ? C10 C9 N1 117.90(17) . . ? C14 C9 N1 122.46(17) . . ? C11 C10 C9 119.83(19) . . ? C11 C10 H10 120.1 . . ? C9 C10 H10 120.1 . . ? C12 C11 C10 120.6(2) . . ? C12 C11 H11 119.7 . . ? C10 C11 H11 119.7 . . ? C11 C12 C13 119.50(19) . . ? C11 C12 H12 120.3 . . ? C13 C12 H12 120.3 . . ? C13 C14 C9 119.74(19) . . ? C13 C14 H14 120.1 . . ? C9 C14 H14 120.1 . . ? C14 C13 C12 120.7(2) . . ? C14 C13 H13 119.6 . . ? C12 C13 H13 119.6 . . ? C20 C15 C16 119.94(19) . . ? C20 C15 N4 117.57(18) . . ? C16 C15 N4 122.49(18) . . ? C17 C16 C15 119.8(2) . . ? C17 C16 H16 120.1 . . ? C15 C16 H16 120.1 . . ? C16 C17 C18 120.4(2) . . ? C16 C17 H17 119.8 . . ? C18 C17 H17 119.8 . . ? C17 C18 C19 119.8(2) . . ? C17 C18 H18 120.1 . . ? C19 C18 H18 120.1 . . ? C18 C19 C20 120.4(2) . . ? C18 C19 H19 119.8 . . ? C20 C19 H19 119.8 . . ? C19 C20 C15 119.6(2) . . ? C19 C20 H20 120.2 . . ? C15 C20 H20 120.2 . . ? O1 C21 C22 123.4(2) . . ? O1 C21 C26 120.2(2) . . ? C22 C21 C26 116.4(2) . . ? C23 C22 C21 121.8(2) . . ? C23 C22 H22 119.1 . . ? C21 C22 H22 119.1 . . ? C22 C23 C24 121.0(2) . . ? C22 C23 H23 119.5 . . ? C24 C23 H23 119.5 . . ? C25 C24 C23 118.7(2) . . ? C25 C24 H24 120.7 . . ? C23 C24 H24 120.7 . . ? C24 C25 C26 121.1(2) . . ? C24 C25 H25 119.4 . . ? C26 C25 H25 119.4 . . ? C25 C26 C21 121.1(2) . . ? C25 C26 H26 119.4 . . ? C21 C26 H26 119.4 . . ? O2 C27 C28 124.2(2) . . ? O2 C27 C32 119.7(2) . . ? C28 C27 C32 116.1(2) . . ? C29 C28 C27 121.1(2) . . ? C29 C28 H28 119.4 . . ? C27 C28 H28 119.4 . . ? C30 C29 C28 122.4(2) . . ? C30 C29 H29 118.8 . . ? C28 C29 H29 118.8 . . ? C29 C30 C31 118.5(2) . . ? C29 C30 H30 120.8 . . ? C31 C30 H30 120.8 . . ? C32 C31 C30 119.9(2) . . ? C32 C31 H31 120.0 . . ? C30 C31 H31 120.0 . . ? C31 C32 C27 122.0(2) . . ? C31 C32 H32 119.0 . . ? C27 C32 H32 119.0 . . ? C34 C33 C37 108.12(17) . . ? C34 C33 C38 125.90(19) . . ? C37 C33 C38 125.96(19) . . ? C34 C33 Co1 69.81(11) . . ? C37 C33 Co1 69.50(11) . . ? C38 C33 Co1 127.52(15) . . ? C35 C34 C33 107.86(17) . . ? C35 C34 C39 126.08(19) . . ? C33 C34 C39 126.01(19) . . ? C35 C34 Co1 69.44(11) . . ? C33 C34 Co1 69.36(11) . . ? C39 C34 Co1 128.67(15) . . ? C34 C35 C36 108.31(17) . . ? C34 C35 C40 125.44(19) . . ? C36 C35 C40 126.20(19) . . ? C34 C35 Co1 69.79(11) . . ? C36 C35 Co1 69.38(11) . . ? C40 C35 Co1 128.72(15) . . ? C35 C36 C37 107.93(17) . . ? C35 C36 C41 125.52(19) . . ? C37 C36 C41 126.54(19) . . ? C35 C36 Co1 69.70(11) . . ? C37 C36 Co1 69.65(11) . . ? C41 C36 Co1 127.04(14) . . ? C36 C37 C33 107.78(17) . . ? C36 C37 C42 126.74(18) . . ? C33 C37 C42 125.46(18) . . ? C36 C37 Co1 69.38(11) . . ? C33 C37 Co1 69.46(11) . . ? C42 C37 Co1 127.49(14) . . ? C33 C38 H38A 109.5 . . ? C33 C38 H38B 109.5 . . ? H38A C38 H38B 109.5 . . ? C33 C38 H38C 109.5 . . ? H38A C38 H38C 109.5 . . ? H38B C38 H38C 109.5 . . ? C34 C39 H39A 109.5 . . ? C34 C39 H39B 109.5 . . ? H39A C39 H39B 109.5 . . ? C34 C39 H39C 109.5 . . ? H39A C39 H39C 109.5 . . ? H39B C39 H39C 109.5 . . ? C35 C40 H40A 109.5 . . ? C35 C40 H40B 109.5 . . ? H40A C40 H40B 109.5 . . ? C35 C40 H40C 109.5 . . ? H40A C40 H40C 109.5 . . ? H40B C40 H40C 109.5 . . ? C36 C41 H41A 109.5 . . ? C36 C41 H41B 109.5 . . ? H41A C41 H41B 109.5 . . ? C36 C41 H41C 109.5 . . ? H41A C41 H41C 109.5 . . ? H41B C41 H41C 109.5 . . ? C37 C42 H42A 109.5 . . ? C37 C42 H42B 109.5 . . ? H42A C42 H42B 109.5 . . ? C37 C42 H42C 109.5 . . ? H42A C42 H42C 109.5 . . ? H42B C42 H42C 109.5 . . ? C44 C43 C47 108.2(2) . . ? C44 C43 C48 125.7(2) . . ? C47 C43 C48 126.0(2) . . ? C44 C43 Co1 69.75(12) . . ? C47 C43 Co1 69.31(12) . . ? C48 C43 Co1 128.37(17) . . ? C43 C44 C45 107.9(2) . . ? C43 C44 C49 126.6(2) . . ? C45 C44 C49 125.5(2) . . ? C43 C44 Co1 69.56(12) . . ? C45 C44 Co1 69.57(12) . . ? C49 C44 Co1 127.99(16) . . ? C46 C45 C44 108.4(2) . . ? C46 C45 C50 127.1(2) . . ? C44 C45 C50 124.6(2) . . ? C46 C45 Co1 69.42(13) . . ? C44 C45 Co1 69.65(12) . . ? C50 C45 Co1 127.61(17) . . ? C45 C46 C47 107.9(2) . . ? C45 C46 C51 125.9(3) . . ? C47 C46 C51 126.2(3) . . ? C45 C46 Co1 69.87(12) . . ? C47 C46 Co1 69.43(12) . . ? C51 C46 Co1 127.23(16) . . ? C43 C47 C46 107.7(2) . . ? C43 C47 C52 126.1(2) . . ? C46 C47 C52 126.2(2) . . ? C43 C47 Co1 69.69(12) . . ? C46 C47 Co1 69.47(13) . . ? C52 C47 Co1 127.81(17) . . ? C43 C48 H48A 109.5 . . ? C43 C48 H48B 109.5 . . ? H48A C48 H48B 109.5 . . ? C43 C48 H48C 109.5 . . ? H48A C48 H48C 109.5 . . ? H48B C48 H48C 109.5 . . ? C44 C49 H49A 109.5 . . ? C44 C49 H49B 109.5 . . ? H49A C49 H49B 109.5 . . ? C44 C49 H49C 109.5 . . ? H49A C49 H49C 109.5 . . ? H49B C49 H49C 109.5 . . ? C45 C50 H50A 109.5 . . ? C45 C50 H50B 109.5 . . ? H50A C50 H50B 109.5 . . ? C45 C50 H50C 109.5 . . ? H50A C50 H50C 109.5 . . ? H50B C50 H50C 109.5 . . ? C46 C51 H51A 109.5 . . ? C46 C51 H51B 109.5 . . ? H51A C51 H51B 109.5 . . ? C46 C51 H51C 109.5 . . ? H51A C51 H51C 109.5 . . ? H51B C51 H51C 109.5 . . ? C47 C52 H52A 109.5 . . ? C47 C52 H52B 109.5 . . ? H52A C52 H52B 109.5 . . ? C47 C52 H52C 109.5 . . ? H52A C52 H52C 109.5 . . ? H52B C52 H52C 109.5 . . ? Cl1 C53 Cl2 111.86(14) . . ? Cl1 C53 H53A 109.2 . . ? Cl2 C53 H53A 109.2 . . ? Cl1 C53 H53B 109.2 . . ? Cl2 C53 H53B 109.2 . . ? H53A C53 H53B 107.9 . . ? 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 Zn1 O1 1.9240(15) . ? Zn1 O2 1.9459(15) . ? Zn1 N4 2.0236(16) . ? Zn1 N1 2.0319(16) . ? Co1 C36 2.0441(19) . ? Co1 C47 2.046(2) . ? Co1 C46 2.046(2) . ? Co1 C33 2.047(2) . ? Co1 C37 2.0476(19) . ? Co1 C35 2.048(2) . ? Co1 C43 2.051(2) . ? Co1 C45 2.052(2) . ? Co1 C34 2.053(2) . ? Co1 C44 2.054(2) . ? Cl1 C53 1.734(2) . ? O1 C21 1.307(3) . ? N1 N2 1.303(2) . ? N1 C9 1.427(2) . ? C1 N2 1.345(2) . ? C1 N3 1.353(2) . ? C1 C2 1.490(3) . ? Cl2 C53 1.761(2) . ? O2 C27 1.277(3) . ? C2 C8 1.386(3) . ? C2 C3 1.392(3) . ? N3 N4 1.306(2) . ? C3 C4 1.390(3) . ? C3 H3 0.9500 . ? N4 C15 1.422(2) . ? C4 C5 1.384(3) . ? C4 H4 0.9500 . ? C5 C7 1.385(3) . ? C5 C6 1.504(3) . ? C6 H6A 0.9800 . ? C6 H6B 0.9800 . ? C6 H6C 0.9800 . ? C7 C8 1.391(3) . ? C7 H7 0.9500 . ? C8 H8 0.9500 . ? C9 C10 1.393(3) . ? C9 C14 1.400(3) . ? C10 C11 1.388(3) . ? C10 H10 0.9500 . ? C11 C12 1.385(3) . ? C11 H11 0.9500 . ? C12 C13 1.388(3) . ? C12 H12 0.9500 . ? C14 C13 1.382(3) . ? C14 H14 0.9500 . ? C13 H13 0.9500 . ? C15 C20 1.390(3) . ? C15 C16 1.395(3) . ? C16 C17 1.383(3) . ? C16 H16 0.9500 . ? C17 C18 1.384(3) . ? C17 H17 0.9500 . ? C18 C19 1.385(4) . ? C18 H18 0.9500 . ? C19 C20 1.389(3) . ? C19 H19 0.9500 . ? C20 H20 0.9500 . ? C21 C22 1.403(3) . ? C21 C26 1.418(3) . ? C22 C23 1.391(3) . ? C22 H22 0.9500 . ? C23 C24 1.392(4) . ? C23 H23 0.9500 . ? C24 C25 1.374(4) . ? C24 H24 0.9500 . ? C25 C26 1.403(3) . ? C25 H25 0.9500 . ? C26 H26 0.9500 . ? C27 C28 1.412(3) . ? C27 C32 1.413(3) . ? C28 C29 1.398(3) . ? C28 H28 0.9500 . ? C29 C30 1.342(4) . ? C29 H29 0.9500 . ? C30 C31 1.424(4) . ? C30 H30 0.9500 . ? C31 C32 1.389(4) . ? C31 H31 0.9500 . ? C32 H32 0.9500 . ? C33 C34 1.430(3) . ? C33 C37 1.435(3) . ? C33 C38 1.498(3) . ? C34 C35 1.429(3) . ? C34 C39 1.492(3) . ? C35 C36 1.430(3) . ? C35 C40 1.495(3) . ? C36 C37 1.432(3) . ? C36 C41 1.495(3) . ? C37 C42 1.492(3) . ? C38 H38A 0.9800 . ? C38 H38B 0.9800 . ? C38 H38C 0.9800 . ? C39 H39A 0.9800 . ? C39 H39B 0.9800 . ? C39 H39C 0.9800 . ? C40 H40A 0.9800 . ? C40 H40B 0.9800 . ? C40 H40C 0.9800 . ? C41 H41A 0.9800 . ? C41 H41B 0.9800 . ? C41 H41C 0.9800 . ? C42 H42A 0.9800 . ? C42 H42B 0.9800 . ? C42 H42C 0.9800 . ? C43 C44 1.427(3) . ? C43 C47 1.435(3) . ? C43 C48 1.489(3) . ? C44 C45 1.430(3) . ? C44 C49 1.503(3) . ? C45 C46 1.426(4) . ? C45 C50 1.499(4) . ? C46 C47 1.437(4) . ? C46 C51 1.497(3) . ? C47 C52 1.495(4) . ? C48 H48A 0.9800 . ? C48 H48B 0.9800 . ? C48 H48C 0.9800 . ? C49 H49A 0.9800 . ? C49 H49B 0.9800 . ? C49 H49C 0.9800 . ? C50 H50A 0.9800 . ? C50 H50B 0.9800 . ? C50 H50C 0.9800 . ? C51 H51A 0.9800 . ? C51 H51B 0.9800 . ? C51 H51C 0.9800 . ? C52 H52A 0.9800 . ? C52 H52B 0.9800 . ? C52 H52C 0.9800 . ? C53 H53A 0.9900 . ? C53 H53B 0.9900 . ?