#------------------------------------------------------------------------------ #$Date: 2019-11-17 07:13:40 +0200 (Sun, 17 Nov 2019) $ #$Revision: 228603 $ #$URL: file:///home/coder/svn-repositories/cod/cif/7/12/11/7121122.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_7121122 loop_ _publ_author_name 'Li, Tao' 'Tan, Gengwen' 'Cheng, Cheng' 'Zhao, Yue' 'Zhang, Li' 'Wang, Xinping' _publ_section_title ; Syntheses, structures and theoretical calculations of stable triarylarsine radical cations. ; _journal_issue 12 _journal_name_full 'Chemical communications (Cambridge, England)' _journal_page_first 1493 _journal_page_last 1496 _journal_paper_doi 10.1039/c7cc09544a _journal_volume 54 _journal_year 2018 _chemical_formula_sum 'C77 H81 As B F24' _chemical_formula_weight 1548.14 _space_group_crystal_system triclinic _space_group_IT_number 2 _space_group_name_Hall '-P 1' _space_group_name_H-M_alt 'P -1' _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _atom_sites_solution_hydrogens mixed _audit_creation_method SHELXL-2014/7 _audit_update_record ; 2017-11-21 deposited with the CCDC. 2018-01-09 downloaded from the CCDC. ; _cell_angle_alpha 73.207(3) _cell_angle_beta 87.244(2) _cell_angle_gamma 68.719(2) _cell_formula_units_Z 2 _cell_length_a 14.3468(12) _cell_length_b 16.7636(14) _cell_length_c 18.1282(16) _cell_measurement_reflns_used 9935 _cell_measurement_temperature 153(2) _cell_measurement_theta_max 27.52 _cell_measurement_theta_min 2.39 _cell_volume 3881.5(6) _computing_cell_refinement 'Bruker SAINT' _computing_data_collection 'Bruker APEX2' _computing_data_reduction 'Bruker SAINT' _computing_molecular_graphics 'Ortep 3v2' _computing_structure_refinement 'SHELXL-2014/7 (Sheldrick, 2014)' _computing_structure_solution 'SHELXL-2014/7 (Sheldrick, 2014)' _diffrn_ambient_temperature 153(2) _diffrn_measured_fraction_theta_full 0.989 _diffrn_measured_fraction_theta_max 0.989 _diffrn_measurement_device_type 'PHOTON100 CMOS detector' _diffrn_measurement_method '\f and \w scans' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0364 _diffrn_reflns_av_unetI/netI 0.0518 _diffrn_reflns_Laue_measured_fraction_full 0.989 _diffrn_reflns_Laue_measured_fraction_max 0.989 _diffrn_reflns_limit_h_max 17 _diffrn_reflns_limit_h_min -16 _diffrn_reflns_limit_k_max 19 _diffrn_reflns_limit_k_min -19 _diffrn_reflns_limit_l_max 21 _diffrn_reflns_limit_l_min -18 _diffrn_reflns_number 27939 _diffrn_reflns_point_group_measured_fraction_full 0.989 _diffrn_reflns_point_group_measured_fraction_max 0.989 _diffrn_reflns_theta_full 25.010 _diffrn_reflns_theta_max 25.010 _diffrn_reflns_theta_min 2.389 _exptl_absorpt_coefficient_mu 0.536 _exptl_absorpt_correction_T_max 0.7456 _exptl_absorpt_correction_T_min 0.5368 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details 'SADABS (Bruker, 2014)' _exptl_crystal_colour purple _exptl_crystal_density_diffrn 1.325 _exptl_crystal_description block _exptl_crystal_F_000 1594 _exptl_crystal_size_max 0.220 _exptl_crystal_size_mid 0.190 _exptl_crystal_size_min 0.180 _refine_diff_density_max 0.568 _refine_diff_density_min -0.650 _refine_diff_density_rms 0.054 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.012 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 1187 _refine_ls_number_reflns 13538 _refine_ls_number_restraints 756 _refine_ls_restrained_S_all 1.045 _refine_ls_R_factor_all 0.0633 _refine_ls_R_factor_gt 0.0527 _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^)+(0.0699P)^2^+3.3136P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1368 _refine_ls_wR_factor_ref 0.1459 _reflns_Friedel_coverage 0.000 _reflns_number_gt 11443 _reflns_number_total 13538 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file c7cc09544a2.cif _cod_data_source_block 1_a _cod_depositor_comments 'Adding full bibliography for 7121122--7121123.cif.' _cod_database_code 7121122 _shelx_shelxl_version_number 2014/7 _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; _shelx_estimated_absorpt_t_min 0.891 _shelx_estimated_absorpt_t_max 0.910 _shelx_res_file ; 1_a.res created by SHELXL-2014/7 TITL 1_a.res in P-1 CELL 0.71073 14.3468 16.7636 18.1282 73.207 87.244 68.719 ZERR 2.000 0.0012 0.0014 0.0016 0.003 0.002 0.002 LATT 1 SFAC C H B F As UNIT 154 162 2 48 2 omit 3 12 6 OMIT -3.00 50.02 L.S. 20 ACTA BOND $H FMAP 2 PLAN 20 isor .01 $f $c isor .001 f8' f24' size .22 .19 .18 FREE F1 F2'' FREE F21' F19' FREE F3' F2' TEMP 23.000 WGHT 0.069900 3.313600 FVAR 0.62220 0.49514 0.62288 0.84379 0.89070 0.89365 0.67167 FVAR 0.77421 PART 1 AS1 5 0.928644 0.699604 0.212876 10.95000 0.04014 0.02506 = 0.03253 -0.00354 -0.00786 -0.01076 B1 3 0.430151 0.767543 0.727699 11.00000 0.03548 0.03029 = 0.02736 -0.00366 -0.00236 -0.01278 C1 1 0.909706 0.591719 0.270077 11.00000 0.03960 0.02502 = 0.02881 -0.00115 -0.00193 -0.00630 C2 1 0.881184 0.587954 0.345986 11.00000 0.04379 0.03387 = 0.03440 -0.00239 -0.00046 0.00492 C3 1 0.865084 0.511864 0.389202 11.00000 0.05853 0.04294 = 0.03770 0.00590 0.01706 0.00526 AFIX 43 H3 2 0.846765 0.507795 0.439680 11.00000 -1.20000 AFIX 0 C4 1 0.875134 0.442176 0.360372 11.00000 0.06049 0.03613 = 0.06608 0.00054 0.02967 -0.00715 C5 1 0.902189 0.448912 0.284624 11.00000 0.05986 0.03215 = 0.06878 -0.01326 0.02157 -0.01991 AFIX 43 H5 2 0.908172 0.402113 0.264713 11.00000 -1.20000 AFIX 0 C6 1 0.920559 0.522385 0.237702 11.00000 0.04437 0.03118 = 0.04251 -0.00925 0.00735 -0.01452 C7 1 0.866288 0.662851 0.381666 11.00000 0.07010 0.04583 = 0.03509 -0.01302 -0.00395 0.00784 AFIX 13 H7 2 0.870834 0.713773 0.340339 11.00000 -1.20000 AFIX 0 C8 1 0.762786 0.694123 0.412434 11.00000 0.09751 0.07829 = 0.09888 -0.04664 0.02015 0.01509 AFIX 137 H8A 2 0.712582 0.709586 0.372284 11.00000 -1.50000 H8B 2 0.753685 0.745585 0.429300 11.00000 -1.50000 H8C 2 0.756789 0.646927 0.455130 11.00000 -1.50000 AFIX 0 C9 1 0.947609 0.638365 0.443208 11.00000 0.11548 0.09588 = 0.08825 -0.05476 -0.04723 0.02472 AFIX 137 H9A 2 0.947149 0.587123 0.484014 11.00000 -1.50000 H9B 2 0.935683 0.687836 0.463593 11.00000 -1.50000 H9C 2 1.011614 0.624594 0.421082 11.00000 -1.50000 AFIX 0 C10 1 0.865423 0.361454 0.418889 10.60000 0.04356 0.04895 = 0.04016 0.00103 -0.00614 -0.02235 AFIX 3 H10 2 0.859402 0.367238 0.471345 11.00000 -1.20000 AFIX 0 C11 1 0.768666 0.357949 0.391711 10.70000 0.05830 0.08107 = 0.11890 0.02467 -0.01765 -0.04023 AFIX 137 H11A 2 0.775537 0.349331 0.341341 11.00000 -1.50000 H11B 2 0.714425 0.413135 0.389438 11.00000 -1.50000 H11C 2 0.754984 0.309168 0.427206 11.00000 -1.50000 AFIX 0 C12 1 0.945412 0.274967 0.417343 11.00000 0.07757 0.03564 = 0.08100 -0.00255 0.01227 -0.01833 AFIX 137 H12A 2 0.927047 0.226061 0.447240 11.00000 -1.50000 H12B 2 1.007603 0.270538 0.438805 11.00000 -1.50000 H12C 2 0.952979 0.272732 0.364990 11.00000 -1.50000 AFIX 0 C13 1 0.950152 0.525176 0.155627 11.00000 0.05640 0.03618 = 0.04392 -0.01601 0.00844 -0.02203 AFIX 13 H13 2 0.973249 0.575324 0.136216 11.00000 -1.20000 AFIX 0 C14 1 0.860250 0.543657 0.102862 11.00000 0.07424 0.07401 = 0.06247 -0.03432 -0.00172 -0.02909 AFIX 137 H14A 2 0.835559 0.495676 0.120337 11.00000 -1.50000 H14B 2 0.880346 0.548049 0.051005 11.00000 -1.50000 H14C 2 0.808328 0.598864 0.104070 11.00000 -1.50000 AFIX 0 C15 1 1.037459 0.439954 0.152410 11.00000 0.07036 0.04560 = 0.06181 -0.02560 0.02166 -0.02427 AFIX 137 H15A 2 1.092078 0.429356 0.187045 11.00000 -1.50000 H15B 2 1.059113 0.447222 0.100762 11.00000 -1.50000 H15C 2 1.015798 0.389979 0.167413 11.00000 -1.50000 AFIX 0 C16 1 1.044046 0.717953 0.243012 11.00000 0.04200 0.03507 = 0.04759 -0.01230 -0.01039 -0.01094 C17 1 1.026684 0.804765 0.246787 11.00000 0.05979 0.04100 = 0.08558 -0.02487 -0.01806 -0.01578 C18 1 1.107841 0.819367 0.271668 11.00000 0.08174 0.06092 = 0.08993 -0.03248 -0.01080 -0.03632 AFIX 43 H18 2 1.098740 0.876331 0.274167 11.00000 -1.20000 AFIX 0 C19 1 1.201598 0.752450 0.292852 11.00000 0.05610 0.08348 = 0.06049 -0.02169 -0.00724 -0.03422 C20 1 1.213996 0.668793 0.289052 11.00000 0.04404 0.07049 = 0.05103 -0.01388 -0.00664 -0.01727 AFIX 43 H20 2 1.276490 0.623412 0.303919 11.00000 -1.20000 AFIX 0 C21 1 1.137769 0.648680 0.264098 11.00000 0.04240 0.04583 = 0.03659 -0.00871 -0.00166 -0.01081 C22 1 0.925745 0.880134 0.227892 11.00000 0.07636 0.04392 = 0.16413 -0.04101 -0.03858 -0.00949 AFIX 13 H22 2 0.879301 0.857098 0.211074 11.00000 -1.20000 AFIX 0 C23 1 0.884176 0.909847 0.298778 11.00000 0.09893 0.07248 = 0.23613 -0.08743 0.01835 -0.01402 AFIX 137 H23A 2 0.884233 0.858812 0.340061 11.00000 -1.50000 H23B 2 0.816872 0.952516 0.286187 11.00000 -1.50000 H23C 2 0.925310 0.936878 0.314614 11.00000 -1.50000 AFIX 0 C24 1 0.929602 0.958023 0.161384 11.00000 0.14413 0.05185 = 0.18099 -0.01652 -0.07531 0.00594 AFIX 137 H24A 2 0.980675 0.977528 0.173396 11.00000 -1.50000 H24B 2 0.865874 1.006446 0.153199 11.00000 -1.50000 H24C 2 0.944701 0.939422 0.115438 11.00000 -1.50000 AFIX 0 C25 1 1.289181 0.770418 0.319185 11.00000 0.08058 0.12624 = 0.09535 -0.03953 -0.01058 -0.05833 AFIX 13 H25 2 1.339239 0.710812 0.343025 11.00000 -1.20000 AFIX 0 C26 1 1.267855 0.811531 0.378860 11.00000 0.11720 0.42927 = 0.22425 -0.24055 0.02976 -0.13178 AFIX 137 H26A 2 1.328179 0.814158 0.396936 11.00000 -1.50000 H26B 2 1.241645 0.777373 0.420658 11.00000 -1.50000 H26C 2 1.219208 0.871078 0.359651 11.00000 -1.50000 AFIX 0 C27 1 1.337919 0.810355 0.252863 11.00000 0.12475 0.19976 = 0.17629 -0.07944 0.02599 -0.11575 AFIX 137 H27A 2 1.295574 0.871431 0.229121 11.00000 -1.50000 H27B 2 1.348848 0.777269 0.215937 11.00000 -1.50000 H27C 2 1.401048 0.808352 0.270373 11.00000 -1.50000 AFIX 0 C28 1 1.159460 0.554146 0.260330 11.00000 0.04335 0.04206 = 0.05688 -0.01379 0.00136 -0.00369 AFIX 13 H28 2 1.101727 0.555651 0.232423 11.00000 -1.20000 AFIX 0 C29 1 1.169299 0.488996 0.340703 11.00000 0.08946 0.04786 = 0.07435 -0.00024 0.00247 -0.00248 AFIX 137 H29A 2 1.224970 0.486338 0.369917 11.00000 -1.50000 H29B 2 1.180213 0.430581 0.336366 11.00000 -1.50000 H29C 2 1.108909 0.509040 0.366439 11.00000 -1.50000 AFIX 0 C30 1 1.251987 0.521347 0.215137 11.00000 0.04689 0.06791 = 0.08331 -0.03092 0.00495 -0.00157 AFIX 137 H30A 2 1.247562 0.566644 0.167336 11.00000 -1.50000 H30B 2 1.254755 0.467613 0.204637 11.00000 -1.50000 H30C 2 1.311447 0.509294 0.245205 11.00000 -1.50000 AFIX 0 C31 1 0.873583 0.753837 0.108366 11.00000 0.04103 0.02639 = 0.03367 0.00115 -0.00583 -0.01568 C32 1 0.768283 0.795530 0.099554 11.00000 0.03982 0.02906 = 0.04103 0.00195 -0.00548 -0.01397 C33 1 0.725365 0.830961 0.024375 11.00000 0.03832 0.05068 = 0.04850 0.00622 -0.00793 -0.01849 AFIX 43 H33 2 0.655952 0.857636 0.016828 11.00000 -1.20000 AFIX 0 C34 1 0.781649 0.828144 -0.039553 11.00000 0.05077 0.06069 = 0.04022 0.00948 -0.00962 -0.02612 C35 1 0.885060 0.789540 -0.028195 11.00000 0.04991 0.06194 = 0.03473 0.00286 -0.00017 -0.02625 AFIX 43 H35 2 0.923325 0.788884 -0.071061 11.00000 -1.20000 AFIX 0 C36 1 0.933575 0.751815 0.044883 11.00000 0.04080 0.03580 = 0.04046 0.00178 -0.00338 -0.01799 C37 1 0.700678 0.804305 0.165729 11.00000 0.04241 0.04918 = 0.04464 0.00010 -0.00093 -0.01022 AFIX 13 H37 2 0.744185 0.777028 0.213347 11.00000 -1.20000 AFIX 0 C38 1 0.643383 0.900468 0.162246 11.00000 0.08363 0.06323 = 0.09250 -0.02256 0.02522 -0.00960 AFIX 137 H38A 2 0.689553 0.930153 0.161584 11.00000 -1.50000 H38B 2 0.604482 0.902997 0.206685 11.00000 -1.50000 H38C 2 0.599548 0.929625 0.116245 11.00000 -1.50000 AFIX 0 C39 1 0.631112 0.753404 0.171771 11.00000 0.08866 0.09447 = 0.09839 -0.02520 0.04269 -0.06073 AFIX 137 H39A 2 0.589236 0.761295 0.214019 11.00000 -1.50000 H39B 2 0.669982 0.690933 0.180483 11.00000 -1.50000 H39C 2 0.589985 0.775691 0.124646 11.00000 -1.50000 AFIX 0 C40 1 0.727142 0.878235 -0.119072 21.00000 0.05442 0.06123 = 0.03323 0.00239 -0.00404 -0.01974 AFIX 13 H40 2 0.776330 0.888109 -0.156536 11.00000 -1.20000 AFIX 0 C41 1 0.692613 0.795424 -0.132077 21.00000 0.12385 0.15480 = 0.06134 -0.04031 -0.03278 -0.04944 AFIX 137 H41A 2 0.647611 0.782449 -0.093602 11.00000 -1.50000 H41B 2 0.751116 0.742511 -0.127438 11.00000 -1.50000 H41C 2 0.659740 0.814851 -0.182487 11.00000 -1.50000 AFIX 0 C42 1 0.646152 0.955811 -0.131354 21.00000 0.09367 0.11949 = 0.05039 0.02433 -0.02794 0.01661 AFIX 137 H42A 2 0.590063 0.943265 -0.107009 11.00000 -1.50000 H42B 2 0.629938 0.982798 -0.185830 11.00000 -1.50000 H42C 2 0.661316 0.996101 -0.109887 11.00000 -1.50000 AFIX 0 C43 1 1.047513 0.708532 0.053159 11.00000 0.04238 0.05249 = 0.03954 0.00293 -0.00144 -0.01649 AFIX 13 H43 2 1.066198 0.671284 0.106812 11.00000 -1.20000 AFIX 0 C44 1 1.094952 0.780167 0.038598 11.00000 0.05739 0.08752 = 0.07299 -0.00786 0.00008 -0.04159 AFIX 137 H44A 2 1.166586 0.751621 0.045482 11.00000 -1.50000 H44B 2 1.071406 0.814530 0.074425 11.00000 -1.50000 H44C 2 1.076461 0.819042 -0.013197 11.00000 -1.50000 AFIX 0 C45 1 1.089288 0.647556 0.001939 11.00000 0.05958 0.06606 = 0.04810 -0.00392 0.00670 -0.01094 AFIX 137 H45A 2 1.058871 0.603329 0.012475 11.00000 -1.50000 H45B 2 1.160525 0.618404 0.012326 11.00000 -1.50000 H45C 2 1.074818 0.682473 -0.051293 11.00000 -1.50000 AFIX 0 C46 1 0.497895 0.828115 0.690677 11.00000 0.03551 0.02983 = 0.02622 -0.00540 -0.00304 -0.01217 C47 1 0.459602 0.921763 0.666917 11.00000 0.03569 0.03067 = 0.04165 -0.00665 -0.00450 -0.00940 AFIX 43 H47 2 0.392058 0.951878 0.671902 11.00000 -1.20000 AFIX 0 C48 1 0.519065 0.971197 0.636159 11.00000 0.04610 0.02829 = 0.05069 -0.00537 -0.00664 -0.01394 C49 1 0.620384 0.929451 0.629771 11.00000 0.04449 0.03349 = 0.05153 -0.00235 -0.00082 -0.02074 AFIX 43 H49 2 0.660110 0.962700 0.609157 11.00000 -1.20000 AFIX 0 C50 1 0.661154 0.837176 0.654747 11.00000 0.03764 0.03444 = 0.04610 -0.00114 0.00031 -0.01400 C51 1 0.600594 0.788104 0.683940 11.00000 0.03724 0.02671 = 0.03866 -0.00157 -0.00047 -0.01131 AFIX 43 H51 2 0.629781 0.725967 0.699645 11.00000 -1.20000 AFIX 0 C52 1 0.473787 1.071158 0.607932 11.00000 0.05875 0.03412 = 0.09223 -0.00828 -0.00531 -0.01600 C53 1 0.770081 0.790340 0.647218 11.00000 0.04462 0.04588 = 0.08857 0.00203 0.00972 -0.01904 C54 1 0.461103 0.679656 0.695850 11.00000 0.03774 0.03450 = 0.02704 -0.00402 -0.00198 -0.01699 C55 1 0.495461 0.681724 0.622392 11.00000 0.06412 0.04147 = 0.03378 -0.01070 0.00850 -0.03080 AFIX 43 H55 2 0.506917 0.732360 0.592809 11.00000 -1.20000 AFIX 0 C56 1 0.513274 0.610938 0.591636 11.00000 0.07605 0.05147 = 0.03602 -0.01684 0.01415 -0.03715 C57 1 0.497773 0.534265 0.633976 11.00000 0.07796 0.04451 = 0.04030 -0.01789 0.00879 -0.03385 AFIX 43 H57 2 0.511145 0.486185 0.614114 11.00000 -1.20000 AFIX 0 C58 1 0.461958 0.530797 0.706466 11.00000 0.05617 0.04085 = 0.03508 -0.00829 0.00355 -0.02653 C59 1 0.443326 0.602280 0.736155 11.00000 0.04277 0.03856 = 0.02870 -0.00703 0.00333 -0.01836 AFIX 43 H59 2 0.418041 0.598623 0.784726 11.00000 -1.20000 AFIX 0 C60 1 0.543447 0.618457 0.510678 11.00000 0.13244 0.05837 = 0.05993 -0.03371 0.03581 -0.05532 C61 1 0.442106 0.449820 0.752485 11.00000 0.08689 0.04320 = 0.04439 -0.01137 0.01402 -0.03506 C62 1 0.311180 0.821009 0.698959 11.00000 0.03571 0.03275 = 0.02694 -0.00451 -0.00401 -0.01555 C63 1 0.283529 0.872490 0.622346 11.00000 0.03845 0.06309 = 0.03116 0.00494 -0.00409 -0.02815 AFIX 43 H63 2 0.333356 0.880894 0.589724 11.00000 -1.20000 AFIX 0 C64 1 0.184799 0.911617 0.592886 11.00000 0.04539 0.06736 = 0.03514 0.01528 -0.01105 -0.03155 C65 1 0.108170 0.900915 0.640078 11.00000 0.03652 0.05095 = 0.04092 0.00795 -0.01148 -0.02368 AFIX 43 H65 2 0.041575 0.928105 0.620988 11.00000 -1.20000 AFIX 0 C66 1 0.133215 0.849274 0.715469 11.00000 0.03762 0.03461 = 0.03193 -0.00384 -0.00162 -0.02005 C67 1 0.232819 0.809862 0.744132 11.00000 0.04066 0.02750 = 0.02582 -0.00240 -0.00327 -0.01625 AFIX 43 H67 2 0.247687 0.774783 0.795314 11.00000 -1.20000 AFIX 0 C68 1 0.160640 0.962164 0.509797 81.00000 0.03440 0.05476 = 0.04135 0.01222 -0.00541 -0.01631 C69 1 0.053614 0.833600 0.766926 11.00000 0.04456 0.05446 = 0.04130 -0.00483 0.00045 -0.02918 C70 1 0.450122 0.740020 0.821435 11.00000 0.03167 0.03394 = 0.02677 -0.00373 -0.00337 -0.01396 C71 1 0.400699 0.798613 0.864357 11.00000 0.03519 0.03225 = 0.03136 -0.00503 -0.00624 -0.01028 AFIX 43 H71 2 0.352422 0.853767 0.839144 11.00000 -1.20000 AFIX 0 C72 1 0.421184 0.777334 0.943651 11.00000 0.03824 0.04028 = 0.03195 -0.01009 -0.00273 -0.01237 C73 1 0.492179 0.695988 0.983108 11.00000 0.04445 0.04704 = 0.02612 -0.00596 -0.00618 -0.01401 AFIX 43 H73 2 0.505330 0.681188 1.036074 11.00000 -1.20000 AFIX 0 C74 1 0.543287 0.637021 0.942148 11.00000 0.03662 0.04284 = 0.03142 -0.00396 -0.00973 -0.00615 C75 1 0.522746 0.659467 0.862928 11.00000 0.03414 0.03764 = 0.03045 -0.00807 -0.00174 -0.00857 AFIX 43 H75 2 0.559001 0.619020 0.836613 11.00000 -1.20000 AFIX 0 C76 1 0.368309 0.842254 0.986925 11.00000 0.05684 0.05172 = 0.03818 -0.01740 -0.00552 -0.01099 C77 1 0.623352 0.549879 0.980864 11.00000 0.06057 0.05645 = 0.04379 -0.01009 -0.01636 0.00343 PART 2 C10' 1 0.837142 0.357478 0.389052 10.40000 0.04513 0.04239 = 0.05192 -0.00018 0.00500 -0.02599 F8' 4 0.606725 0.566390 0.507735 -61.00000 0.02508 0.02381 = 0.02587 -0.00611 0.00217 -0.01029 C40' 1 0.738026 0.850440 -0.123495 -21.00000 0.05478 0.05538 = 0.05693 0.00852 -0.02359 -0.02023 C41' 1 0.639062 0.845737 -0.131328 -21.00000 0.10416 0.12327 = 0.07249 -0.00924 -0.01725 -0.06949 C42' 1 0.721851 0.958775 -0.155029 -21.00000 0.13915 0.09654 = 0.09018 0.03351 -0.04916 -0.04312 PART 1 F1 4 0.387293 1.100449 0.567410 10.60000 0.09151 0.03677 = 0.13745 0.00204 -0.05031 -0.00093 F2 4 0.484585 1.110350 0.654565 10.50000 0.11542 0.04010 = 0.08758 -0.03257 0.02011 -0.02625 F3 4 0.529043 1.104589 0.548142 10.50000 0.08229 0.03371 = 0.13345 0.02237 0.04075 -0.00906 F4 4 0.824332 0.840608 0.648082 41.00000 0.04274 0.06143 = 0.14320 -0.00464 0.00268 -0.02683 F5 4 0.789506 0.761930 0.587083 41.00000 0.06746 0.15569 = 0.12059 -0.08020 0.03127 -0.01061 F6 4 0.811754 0.718294 0.707871 41.00000 0.04241 0.06788 = 0.12905 0.03492 0.00338 -0.00028 F7 4 0.549668 0.695933 0.472818 61.00000 0.16214 0.06283 = 0.04951 -0.02357 0.05339 -0.06359 F8 4 0.631249 0.550440 0.508341 61.00000 0.15906 0.09397 = 0.08205 -0.04215 0.07007 -0.02594 F9 4 0.475891 0.610473 0.466886 11.00000 0.20543 0.11714 = 0.04392 -0.03197 0.01550 -0.08441 F10 4 0.447468 0.393600 0.711694 10.80000 0.16702 0.05756 = 0.07572 -0.03474 0.05103 -0.07226 F11 4 0.510903 0.399291 0.809149 11.00000 0.10886 0.05599 = 0.07781 0.02170 -0.00736 -0.03097 F12 4 0.355899 0.469887 0.786418 11.00000 0.09359 0.06625 = 0.07913 -0.01680 0.03038 -0.05457 F13 4 0.240834 0.957230 0.467592 81.00000 0.04360 0.10677 = 0.03618 0.02601 -0.00420 -0.03243 F14 4 0.100982 0.938602 0.473039 81.00000 0.05022 0.09590 = 0.03159 0.00384 -0.01121 -0.03366 F15 4 0.111272 1.049525 0.503160 81.00000 0.08097 0.05257 = 0.06685 0.02847 -0.01165 -0.01470 F16 4 -0.039071 0.900296 0.743696 71.00000 0.03745 0.07978 = 0.06925 0.00448 0.00688 -0.00754 F17 4 0.041592 0.759428 0.775722 71.00000 0.08739 0.06965 = 0.08819 -0.03353 0.03453 -0.06178 F18 4 0.064624 0.841343 0.836639 11.00000 0.07631 0.09468 = 0.05234 -0.03064 0.02829 -0.05367 F19 4 0.282996 0.904142 0.952446 51.00000 0.07825 0.09651 = 0.06951 -0.04997 -0.02409 0.03395 F20 4 0.347389 0.804295 1.057349 51.00000 0.13134 0.07543 = 0.04996 -0.02488 0.03400 -0.01535 F21 4 0.423123 0.888343 0.997606 51.00000 0.09709 0.09298 = 0.12256 -0.07520 0.00890 -0.03711 F22 4 0.618791 0.481861 0.959151 11.00000 0.09246 0.04236 = 0.07402 -0.00583 -0.02529 0.00238 F23 4 0.715051 0.550304 0.961252 11.00000 0.04958 0.08719 = 0.12761 -0.02585 -0.02916 0.00886 F24 4 0.631806 0.530529 1.055657 10.80000 0.09690 0.07999 = 0.03557 -0.00196 -0.02837 0.02571 PART 2 F1' 4 0.374583 1.101714 0.633109 10.40000 0.05564 0.03137 = 0.17955 -0.00654 -0.00816 -0.00810 F2' 4 0.522397 1.107995 0.640833 10.40000 0.13967 0.04441 = 0.22400 -0.01985 -0.05654 -0.04002 F3' 4 0.475646 1.105564 0.541151 10.40000 0.16101 0.03109 = 0.06070 0.01784 -0.03054 -0.01150 F4' 4 0.826603 0.794283 0.687423 -41.00000 0.07604 0.13762 = 0.16303 -0.03072 -0.01857 -0.04645 F5' 4 0.788349 0.826269 0.569538 -41.00000 0.05772 0.06500 = 0.10227 0.02464 0.03859 0.01139 F6' 4 0.793510 0.709790 0.652485 -41.00000 0.05198 0.07041 = 0.11624 -0.00708 0.01907 0.00173 F7' 4 0.648075 0.634342 0.512830 -61.00000 0.11255 0.12730 = 0.08718 -0.03395 0.04143 -0.07071 F10' 4 0.401261 0.417573 0.706852 10.20000 0.09476 0.04778 = 0.04541 -0.01538 -0.00001 -0.04778 F13' 4 0.190303 1.065571 0.520735 -81.00000 0.13194 0.10523 = 0.08280 0.04865 -0.03893 -0.08566 F14' 4 0.155323 0.982522 0.467824 -81.00000 0.14859 0.10664 = 0.03634 0.00298 -0.00282 -0.03303 F15' 4 0.046856 1.061463 0.517119 -81.00000 0.08810 0.08667 = 0.07193 0.02554 -0.01471 -0.02081 F16' 4 -0.032249 0.863366 0.730835 -71.00000 0.03634 0.12328 = 0.06889 0.00244 0.00217 -0.03497 F17' 4 0.074479 0.738695 0.790018 -71.00000 0.08057 0.05843 = 0.06215 0.00043 0.02382 -0.04874 F19' 4 0.282339 0.844885 0.999353 -51.00000 0.05899 0.06485 = 0.12898 -0.04860 0.05966 -0.02276 F20' 4 0.417389 0.825796 1.050261 -51.00000 0.08893 0.07244 = 0.03877 -0.02419 -0.03349 0.02390 F21' 4 0.364461 0.918829 0.953831 -51.00000 0.08156 0.03656 = 0.07538 -0.02152 0.01891 -0.01341 F24' 4 0.586328 0.512264 1.057307 10.20000 0.06598 0.06471 = 0.06144 -0.01628 0.00353 -0.02060 AS1' 5 0.975078 0.672934 0.196282 10.05000 0.03907 0.02531 = 0.03062 0.00703 0.00699 0.00339 C11' 1 0.776401 0.365920 0.461552 10.30000 0.05426 0.04134 = 0.04640 -0.00554 0.02401 -0.02198 C68' 1 0.145376 1.011546 0.525325 -81.00000 0.06047 0.05699 = 0.05630 -0.01084 -0.01190 -0.01887 PART 3 F2'' 4 0.429046 1.106370 0.662365 10.20000 0.08544 0.04875 = 0.08073 -0.01415 0.00464 -0.00002 PART 0 HKLF 4 REM 1_a.res in P-1 REM R1 = 0.0527 for 11443 Fo > 4sig(Fo) and 0.0633 for all 13538 data REM 1187 parameters refined using 756 restraints END WGHT 0.0646 3.2725 REM Highest difference peak 0.568, deepest hole -0.650, 1-sigma level 0.054 Q1 1 1.2796 0.7381 0.4159 11.00000 0.05 0.57 Q2 1 0.8970 0.7406 0.2470 11.00000 0.05 0.56 Q3 1 0.8950 0.7481 0.1687 11.00000 0.05 0.48 Q4 1 1.2827 0.8546 0.2903 11.00000 0.05 0.39 Q5 1 0.2318 1.0107 0.4919 11.00000 0.05 0.39 Q6 1 0.1477 0.9569 0.6110 11.00000 0.05 0.38 Q7 1 0.6830 0.5557 1.0125 11.00000 0.05 0.38 Q8 1 0.5423 0.5503 0.4814 11.00000 0.05 0.35 Q9 1 0.5232 0.6546 0.4540 11.00000 0.05 0.34 Q10 1 0.9375 0.6408 0.1816 11.00000 0.05 0.34 Q11 1 0.0065 0.8844 0.7992 11.00000 0.05 0.32 Q12 1 1.0019 0.6161 0.1630 11.00000 0.05 0.32 Q13 1 0.9723 0.6436 0.2486 11.00000 0.05 0.31 Q14 1 0.7814 0.8194 -0.1634 11.00000 0.05 0.30 Q15 1 0.6548 0.4884 0.5383 11.00000 0.05 0.29 Q16 1 0.9986 0.5897 0.2868 11.00000 0.05 0.28 Q17 1 0.7962 0.8472 0.5995 11.00000 0.05 0.27 Q18 1 0.4074 0.4373 0.8212 11.00000 0.05 0.26 Q19 1 0.8386 0.4488 0.3305 11.00000 0.05 0.26 Q20 1 1.2211 0.9087 0.3115 11.00000 0.05 0.26 ; _shelx_res_checksum 62688 _shelx_hkl_file ; -4 0 0 451.15 24.70 4 0 0 476.25 24.70 -5 0 0 4559.24 243.58 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11 -3 415.76 22.70 4 11 -3 396.86 23.40 -4 -11 3 420.46 22.80 3 11 -3 28.50 4.50 -3 -11 3 43.70 5.20 2 11 -3 48.90 5.40 -2 -11 3 57.89 5.90 1 11 -3 595.74 34.30 -1 -11 3 640.84 34.10 0 -11 3 390.96 22.50 1 -11 3 769.22 42.20 2 -11 3 389.66 23.00 3 -11 3 23.90 5.00 4 -11 3 105.59 10.10 5 -11 3 826.72 45.80 6 -11 3 97.79 10.80 7 -11 3 109.19 11.40 8 -11 3 14.30 5.70 9 -11 3 -6.10 5.70 10 -11 3 4.80 6.80 18 10 -3 32.80 8.00 18 10 -3 40.30 6.20 17 10 -3 31.50 5.40 17 10 -3 13.70 7.30 16 10 -3 45.50 7.70 16 10 -3 35.40 5.50 15 10 -3 8.50 5.70 15 10 -3 5.90 4.10 14 10 -3 42.50 5.10 14 10 -3 43.40 6.70 -14 -10 3 41.90 5.50 13 10 -3 268.17 15.50 13 10 -3 240.68 16.50 -13 -10 3 246.48 14.70 12 10 -3 169.28 11.30 12 10 -3 175.88 12.20 -12 -10 3 155.48 10.20 11 10 -3 230.68 14.60 11 10 -3 238.08 14.00 -11 -10 3 212.68 13.00 10 10 -3 33.80 4.70 10 10 -3 43.00 4.40 -10 -10 3 34.20 4.20 9 10 -3 110.69 8.10 9 10 -3 99.99 8.60 -9 -10 3 114.79 7.10 8 10 -3 5.80 2.90 8 10 -3 7.60 3.30 -8 -10 3 9.70 2.10 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5.70 12 -8 3 18.00 6.40 18 7 -3 21.00 7.40 18 7 -3 28.60 5.70 17 7 -3 39.00 7.80 17 7 -3 41.10 5.60 16 7 -3 70.09 8.40 16 7 -3 72.49 8.60 15 7 -3 1.80 4.90 15 7 -3 -3.60 3.40 -15 -7 3 -1.70 3.00 14 7 -3 -0.80 3.40 14 7 -3 4.20 4.50 -14 -7 3 2.10 2.70 13 7 -3 365.26 20.10 13 7 -3 339.27 21.30 -13 -7 3 350.76 19.90 12 7 -3 265.87 17.10 12 7 -3 291.47 16.00 -12 -7 3 268.67 15.80 11 7 -3 67.79 5.70 11 7 -3 65.99 7.40 -11 -7 3 65.49 5.60 10 7 -3 54.49 6.60 10 7 -3 58.69 5.10 -10 -7 3 55.89 4.90 9 7 -3 34.30 4.40 9 7 -3 49.99 4.50 -9 -7 3 54.59 4.30 8 7 -3 133.69 8.30 8 7 -3 142.59 9.10 -8 -7 3 130.89 8.10 7 7 -3 64.99 4.80 7 7 -3 63.19 5.50 -7 -7 3 55.29 4.30 6 7 -3 492.95 28.40 6 7 -3 488.45 28.20 -6 -7 3 586.84 27.90 5 7 -3 655.73 36.70 5 7 -3 672.73 36.70 -5 -7 3 726.83 36.30 4 7 -3 553.44 30.50 4 7 -3 558.84 30.60 -4 -7 3 588.74 30.20 3 7 -3 3286.37 173.88 3 7 -3 3313.37 173.68 -3 -7 3 3329.47 173.58 2 7 -3 747.93 40.70 2 7 -3 768.92 40.40 -2 -7 3 761.82 40.50 1 7 -3 372.86 19.80 -1 -7 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1150.38 65.99 -7 -6 3 1208.78 65.99 6 6 -3 4188.28 210.08 6 6 -3 3761.52 209.48 6 6 -3 4088.79 209.78 -6 -6 3 3935.91 209.68 -6 -6 3 4028.90 209.48 5 6 -3 22.40 2.60 5 6 -3 30.50 3.20 5 6 -3 27.70 3.00 -5 -6 3 27.90 3.00 -5 -6 3 37.30 2.80 4 6 -3 201.38 11.80 4 6 -3 213.18 11.90 -4 -6 3 231.68 11.50 -4 -6 3 191.88 11.70 3 6 -3 5614.14 291.57 3 6 -3 5597.94 291.47 -3 -6 3 5479.45 291.37 2 6 -3 9.70 2.00 2 6 -3 7.50 1.60 -2 -6 3 8.30 1.60 -2 -6 3 7.50 1.50 1 6 -3 2867.51 147.49 -1 -6 3 2735.93 147.09 -1 -6 3 2810.32 147.29 0 -6 3 6.20 1.80 0 -6 3 5.90 1.40 1 -6 3 2516.75 120.99 1 -6 3 2077.09 120.49 2 -6 3 34.70 4.20 3 -6 3 9.70 2.60 4 -6 3 94.59 7.30 5 -6 3 1036.60 55.69 6 -6 3 887.91 48.10 7 -6 3 26.10 4.50 8 -6 3 315.17 19.20 9 -6 3 129.29 10.80 10 -6 3 10.80 4.80 11 -6 3 63.49 7.00 12 -6 3 92.69 10.50 13 -6 3 26.50 6.40 14 -6 3 9.10 6.40 18 5 -3 28.40 7.90 18 5 -3 19.10 5.70 17 5 -3 52.19 6.30 17 5 -3 44.10 7.60 16 5 -3 16.30 4.40 16 5 -3 6.70 6.10 -16 -5 3 16.60 4.30 15 5 -3 12.10 3.90 15 5 -3 14.30 5.70 -15 -5 3 12.70 3.60 14 5 -3 4.30 5.00 14 5 -3 9.30 3.60 -14 -5 3 6.30 3.00 13 5 -3 4.50 4.10 13 5 -3 1.30 2.80 -13 -5 3 -5.00 2.60 12 5 -3 504.35 29.10 12 5 -3 521.55 28.00 -12 -5 3 511.05 28.10 11 5 -3 186.98 13.10 11 5 -3 208.28 12.00 -11 -5 3 205.78 12.10 10 5 -3 65.99 6.80 10 5 -3 71.39 5.50 -10 -5 3 69.49 5.50 9 5 -3 96.79 7.80 9 5 -3 111.19 6.20 9 5 -3 97.69 6.70 -9 -5 3 104.59 6.90 8 5 -3 297.87 14.30 8 5 -3 260.77 14.60 8 5 -3 248.08 15.30 -8 -5 3 249.08 14.70 -8 -5 3 254.17 14.60 7 5 -3 107.59 6.00 7 5 -3 102.49 6.40 7 5 -3 92.89 7.00 -7 -5 3 103.29 6.50 -7 -5 3 109.09 6.40 6 5 -3 277.97 15.00 6 5 -3 272.87 14.80 6 5 -3 286.77 15.60 -6 -5 3 272.67 15.00 -6 -5 3 269.27 15.00 5 5 -3 141.89 8.40 5 5 -3 143.79 9.00 5 5 -3 146.49 8.60 -5 -5 3 177.18 8.60 -5 -5 3 148.99 8.60 4 5 -3 1136.59 57.79 4 5 -3 1007.90 57.39 4 5 -3 1123.19 57.59 -4 -5 3 1099.89 57.59 3 5 -3 1427.06 82.19 3 5 -3 1589.74 82.29 3 5 -3 1601.84 82.39 -3 -5 3 1509.15 82.29 -3 -5 3 1636.24 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38.00 7.70 -4 -17 4 52.09 6.80 -3 -17 4 17.60 5.70 -2 -17 4 117.89 12.60 -1 -17 4 134.79 13.10 0 -17 4 104.79 13.40 1 -17 4 56.29 8.40 2 -17 4 4.60 7.30 14 16 -4 4.80 6.10 14 16 -4 13.70 6.90 13 16 -4 17.40 6.20 13 16 -4 16.30 6.60 -13 -16 4 19.30 4.00 12 16 -4 59.09 7.60 12 16 -4 50.89 7.60 -12 -16 4 61.99 7.00 11 16 -4 19.40 6.00 11 16 -4 23.50 6.00 -11 -16 4 24.50 4.00 10 16 -4 13.20 5.90 10 16 -4 23.50 5.50 -10 -16 4 18.00 3.90 9 16 -4 3.70 5.60 9 16 -4 4.90 4.60 -9 -16 4 3.30 3.60 8 16 -4 5.10 4.40 8 16 -4 -1.30 5.40 -8 -16 4 5.80 3.50 7 16 -4 2.50 5.60 7 16 -4 2.30 4.20 -7 -16 4 1.10 3.50 6 16 -4 4.00 5.70 -6 -16 4 1.30 4.00 5 16 -4 185.98 15.60 -5 -16 4 213.38 13.70 4 16 -4 39.80 7.50 -4 -16 4 54.99 6.30 -3 -16 4 6.80 4.90 -2 -16 4 21.50 6.00 -1 -16 4 10.60 5.40 0 -16 4 34.20 6.90 1 -16 4 32.80 6.80 2 -16 4 105.69 13.50 3 -16 4 7.50 6.80 4 -16 4 11.40 7.30 15 15 -4 2.20 5.70 15 15 -4 -4.30 6.70 14 15 -4 31.80 6.50 14 15 -4 39.90 7.70 13 15 -4 73.29 8.10 13 15 -4 69.19 8.50 -13 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26.10 5.50 -11 -14 4 20.60 3.40 10 14 -4 17.50 5.00 10 14 -4 14.10 4.90 -10 -14 4 16.40 3.30 9 14 -4 20.60 4.90 9 14 -4 19.30 5.10 -9 -14 4 24.40 3.50 8 14 -4 6.20 4.40 8 14 -4 -4.50 3.60 -8 -14 4 0.10 2.90 7 14 -4 30.30 4.90 7 14 -4 33.80 5.60 -7 -14 4 43.70 5.50 6 14 -4 148.99 10.60 6 14 -4 139.09 11.60 -6 -14 4 152.68 10.10 5 14 -4 214.58 15.20 5 14 -4 222.18 14.10 -5 -14 4 236.58 14.00 4 14 -4 172.38 13.70 -4 -14 4 197.68 12.50 3 14 -4 -4.30 4.60 -3 -14 4 -0.50 3.90 -2 -14 4 123.19 10.40 -1 -14 4 12.80 4.80 0 -14 4 146.89 12.00 1 -14 4 32.20 6.00 2 -14 4 172.78 14.30 3 -14 4 8.40 5.90 4 -14 4 41.80 7.70 5 -14 4 12.70 6.40 6 -14 4 20.90 7.40 16 13 -4 12.00 7.20 16 13 -4 6.10 5.50 15 13 -4 31.50 7.30 15 13 -4 34.10 6.00 14 13 -4 3.10 6.00 14 13 -4 3.10 4.80 -14 -13 4 1.40 3.20 13 13 -4 19.10 5.20 13 13 -4 9.00 5.80 -13 -13 4 22.40 3.50 12 13 -4 134.09 10.70 12 13 -4 144.79 11.30 -12 -13 4 106.19 8.50 11 13 -4 82.89 9.20 11 13 -4 73.59 8.60 -11 -13 4 68.99 6.50 10 13 -4 288.67 17.20 10 13 -4 263.67 17.00 -10 -13 4 260.77 15.50 9 13 -4 33.00 5.00 9 13 -4 23.40 5.00 -9 -13 4 29.90 3.50 8 13 -4 0.20 3.70 8 13 -4 -2.30 4.00 -8 -13 4 2.90 2.60 7 13 -4 5.90 3.60 7 13 -4 -0.90 3.90 -7 -13 4 5.50 2.60 6 13 -4 362.96 20.50 6 13 -4 344.57 21.30 -6 -13 4 361.26 20.10 5 13 -4 5.00 4.10 5 13 -4 0.40 3.10 -5 -13 4 10.50 3.20 4 13 -4 415.16 25.00 -4 -13 4 439.36 24.10 3 13 -4 149.29 11.80 -3 -13 4 160.68 10.90 2 13 -4 152.68 12.20 -2 -13 4 162.28 11.40 -1 -13 4 8.80 4.20 0 -13 4 25.80 5.20 1 -13 4 288.87 18.50 2 -13 4 2.70 4.80 3 -13 4 80.69 10.30 4 -13 4 27.50 6.20 5 -13 4 36.70 7.30 6 -13 4 5.70 6.20 7 -13 4 8.30 7.00 8 -13 4 14.90 7.00 17 12 -4 12.40 7.90 17 12 -4 1.50 5.00 16 12 -4 41.90 7.90 16 12 -4 41.90 6.00 15 12 -4 -9.40 5.60 15 12 -4 5.60 4.60 14 12 -4 1.20 4.30 14 12 -4 7.10 5.60 -14 -12 4 6.30 3.20 13 12 -4 6.60 4.20 13 12 -4 4.80 5.20 -13 -12 4 2.20 3.00 12 12 -4 35.50 6.00 12 12 -4 27.20 4.90 -12 -12 4 29.90 3.70 11 12 -4 135.19 11.00 11 12 -4 135.99 10.10 -11 -12 4 117.79 8.40 10 12 -4 321.87 18.20 10 12 -4 308.77 18.50 -10 -12 4 282.27 17.00 9 12 -4 6.10 3.40 9 12 -4 -0.30 3.70 -9 -12 4 3.60 2.50 8 12 -4 17.00 4.10 8 12 -4 16.90 4.10 -8 -12 4 24.20 3.00 7 12 -4 346.67 21.20 7 12 -4 354.76 20.90 -7 -12 4 392.76 20.20 6 12 -4 48.90 5.60 6 12 -4 56.49 6.10 -6 -12 4 67.79 5.50 5 12 -4 81.39 8.30 5 12 -4 85.59 7.30 -5 -12 4 90.49 6.90 4 12 -4 104.09 7.60 4 12 -4 78.39 8.50 -4 -12 4 97.09 7.50 3 12 -4 -2.10 3.50 -3 -12 4 0.40 3.00 2 12 -4 347.97 21.70 -2 -12 4 384.76 21.20 -1 -12 4 461.15 26.20 0 -12 4 666.33 37.00 1 -12 4 37.00 5.60 2 -12 4 211.58 14.70 3 -12 4 342.67 21.20 4 -12 4 88.59 10.20 5 -12 4 99.99 11.10 6 -12 4 -6.30 5.10 7 -12 4 6.60 6.10 8 -12 4 44.10 7.80 9 -12 4 -4.90 6.80 17 11 -4 3.30 6.70 17 11 -4 1.60 4.90 16 11 -4 3.70 6.00 16 11 -4 8.80 4.70 15 11 -4 40.60 5.60 15 11 -4 37.50 6.90 14 11 -4 89.39 10.30 14 11 -4 82.69 8.50 -14 -11 4 83.79 7.50 13 11 -4 21.10 5.60 13 11 -4 22.70 4.30 -13 -11 4 22.60 3.50 12 11 -4 -2.60 4.50 12 11 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9.30 3.80 14 10 -4 9.00 5.20 -14 -10 4 7.20 3.20 13 10 -4 6.50 4.50 13 10 -4 5.50 3.70 -13 -10 4 6.20 2.80 12 10 -4 -4.60 4.20 12 10 -4 1.30 3.30 -12 -10 4 0.30 2.40 11 10 -4 153.88 10.10 11 10 -4 146.49 11.10 -11 -10 4 140.49 9.30 10 10 -4 268.77 15.00 10 10 -4 278.87 15.90 -10 -10 4 218.48 14.30 9 10 -4 335.47 18.90 9 10 -4 336.37 18.40 -9 -10 4 292.57 17.60 8 10 -4 254.47 15.50 8 10 -4 250.37 15.10 -8 -10 4 266.17 14.40 7 10 -4 59.49 6.10 7 10 -4 60.79 6.10 -7 -10 4 67.09 5.10 6 10 -4 15.30 3.30 6 10 -4 15.60 3.20 -6 -10 4 16.40 2.30 5 10 -4 0.90 2.40 5 10 -4 4.00 2.70 -5 -10 4 4.40 2.10 4 10 -4 238.38 15.00 4 10 -4 242.78 14.50 -4 -10 4 267.67 14.30 3 10 -4 156.18 9.80 3 10 -4 148.49 10.50 -3 -10 4 162.88 9.90 2 10 -4 1600.24 79.99 -2 -10 4 1401.86 79.49 -1 -10 4 231.88 14.00 0 -10 4 26.70 4.20 1 -10 4 5.20 3.60 2 -10 4 61.89 7.50 3 -10 4 13.90 4.40 4 -10 4 20.10 4.60 5 -10 4 34.30 5.80 6 -10 4 288.67 18.90 7 -10 4 2.50 4.80 8 -10 4 10.70 5.80 9 -10 4 1.60 5.80 10 -10 4 1.20 6.60 18 9 -4 7.20 7.20 17 9 -4 6.40 4.30 17 9 -4 -3.10 5.70 16 9 -4 -1.00 4.00 16 9 -4 4.20 5.50 15 9 -4 35.00 6.60 15 9 -4 39.20 4.90 -15 -9 4 27.10 4.20 14 9 -4 144.09 10.50 14 9 -4 154.58 12.30 -14 -9 4 147.89 10.00 13 9 -4 77.99 9.10 13 9 -4 67.09 7.20 -13 -9 4 79.19 6.70 12 9 -4 -1.30 2.80 12 9 -4 6.10 4.50 -12 -9 4 -1.80 2.40 11 9 -4 75.49 8.00 11 9 -4 78.49 6.70 -11 -9 4 70.09 6.10 10 9 -4 79.79 7.30 10 9 -4 66.69 5.90 -10 -9 4 52.69 5.30 9 9 -4 57.69 5.40 9 9 -4 54.29 6.40 -9 -9 4 46.40 4.60 8 9 -4 267.77 15.20 8 9 -4 249.58 14.70 -8 -9 4 248.28 14.20 7 9 -4 137.19 9.40 7 9 -4 129.99 9.10 -7 -9 4 150.18 8.40 6 9 -4 27.00 3.40 6 9 -4 31.80 3.60 5 9 -4 671.03 38.20 5 9 -4 702.73 38.10 -5 -9 4 748.83 37.70 4 9 -4 251.77 14.80 4 9 -4 256.17 15.20 -4 -9 4 267.47 14.50 3 9 -4 402.06 21.90 3 9 -4 380.86 22.30 -3 -9 4 408.96 21.80 2 9 -4 104.19 8.00 -2 -9 4 109.29 7.40 1 9 -4 4.70 3.00 -1 -9 4 9.20 2.80 0 -9 4 1203.88 64.19 1 -9 4 164.08 10.70 2 -9 4 297.57 17.70 3 -9 4 39.40 5.00 4 -9 4 15.50 4.30 5 -9 4 173.28 12.60 6 -9 4 279.77 17.90 7 -9 4 315.37 19.90 8 -9 4 7.40 5.10 9 -9 4 43.40 6.90 10 -9 4 3.80 6.10 11 -9 4 -1.10 6.10 18 8 -4 55.89 8.90 17 8 -4 118.19 13.10 17 8 -4 117.49 10.20 16 8 -4 13.40 5.90 16 8 -4 6.30 4.20 15 8 -4 99.59 10.50 15 8 -4 76.19 8.10 -15 -8 4 79.39 7.70 14 8 -4 9.90 5.20 14 8 -4 9.50 3.70 -14 -8 4 8.60 3.20 13 8 -4 39.50 6.10 13 8 -4 38.00 4.30 -13 -8 4 37.90 4.20 12 8 -4 363.76 20.10 12 8 -4 358.56 21.30 -12 -8 4 348.57 20.10 11 8 -4 7.80 4.00 11 8 -4 3.40 2.60 -11 -8 4 4.90 2.50 10 8 -4 248.38 15.40 10 8 -4 268.17 14.60 -10 -8 4 239.38 14.40 9 8 -4 287.37 16.30 9 8 -4 282.57 15.60 -9 -8 4 254.47 15.30 8 8 -4 66.69 5.30 8 8 -4 70.59 6.20 -8 -8 4 50.99 4.80 7 8 -4 35.20 4.20 7 8 -4 26.60 3.70 -7 -8 4 29.00 3.50 6 8 -4 255.77 15.50 6 8 -4 244.08 15.70 -6 -8 4 317.47 15.10 5 8 -4 193.88 12.10 5 8 -4 202.98 12.10 -5 -8 4 218.58 11.50 4 8 -4 4.60 2.10 4 8 -4 4.80 2.30 -4 -8 4 9.70 1.80 3 8 -4 783.22 43.00 3 8 -4 801.42 42.70 -3 -8 4 815.92 42.60 2 8 -4 323.77 18.50 -2 -8 4 328.67 18.10 1 8 -4 156.18 9.90 -1 -8 4 150.28 9.50 0 -8 4 364.86 20.50 1 -8 4 1.70 2.50 2 -8 4 94.29 7.50 3 -8 4 13.10 3.50 4 -8 4 179.58 12.10 5 -8 4 640.34 35.60 6 -8 4 224.68 14.80 7 -8 4 265.47 17.10 8 -8 4 5.50 4.80 9 -8 4 101.09 10.50 10 -8 4 30.30 6.20 11 -8 4 101.89 12.20 12 -8 4 11.10 6.40 18 7 -4 9.90 7.20 17 7 -4 5.00 6.50 17 7 -4 2.70 4.40 16 7 -4 -0.40 3.80 16 7 -4 7.90 5.40 -16 -7 4 3.30 3.50 15 7 -4 8.50 3.90 15 7 -4 12.30 5.50 -15 -7 4 5.60 3.50 14 7 -4 40.90 6.10 14 7 -4 43.80 4.70 -14 -7 4 38.80 4.50 13 7 -4 535.25 30.60 13 7 -4 549.45 29.30 -13 -7 4 516.95 29.30 12 7 -4 17.10 4.40 12 7 -4 15.10 3.10 -12 -7 4 16.90 3.10 11 7 -4 182.88 12.60 11 7 -4 193.98 11.50 -11 -7 4 194.78 11.60 10 7 -4 94.59 6.50 10 7 -4 92.29 7.90 -10 -7 4 92.09 6.60 9 7 -4 162.68 10.50 9 7 -4 164.78 9.60 -9 -7 4 151.38 9.60 8 7 -4 879.71 45.40 8 7 -4 851.11 44.80 -8 -7 4 794.22 44.70 7 7 -4 2.90 2.60 7 7 -4 7.50 2.10 -7 -7 4 5.90 1.80 6 7 -4 66.49 5.20 6 7 -4 65.69 5.60 -6 -7 4 75.49 4.90 5 7 -4 256.57 14.90 5 7 -4 251.67 14.80 -5 -7 4 279.97 14.40 4 7 -4 267.77 15.60 4 7 -4 268.07 15.60 -4 -7 4 297.27 15.20 3 7 -4 669.23 36.70 3 7 -4 689.73 36.60 -3 -7 4 691.23 36.40 2 7 -4 1737.23 93.09 2 7 -4 1736.23 92.89 -2 -7 4 1811.02 92.79 1 7 -4 514.15 28.20 -1 -7 4 520.35 28.00 0 -7 4 3060.69 160.98 1 -7 4 105.39 7.30 2 -7 4 54.29 5.40 3 -7 4 19.80 3.30 4 -7 4 16.70 3.50 5 -7 4 874.31 47.50 6 -7 4 205.08 13.60 7 -7 4 794.92 43.70 8 -7 4 83.69 9.40 9 -7 4 43.30 6.00 10 -7 4 6.40 4.80 11 -7 4 32.70 6.40 12 -7 4 35.50 7.10 13 -7 4 32.80 7.30 18 6 -4 39.70 8.10 17 6 -4 13.20 4.50 17 6 -4 14.70 6.20 16 6 -4 5.40 5.50 16 6 -4 -3.60 3.70 -16 -6 4 7.00 3.70 15 6 -4 18.60 5.90 15 6 -4 21.80 4.10 -15 -6 4 19.90 4.10 14 6 -4 -4.00 4.70 14 6 -4 2.80 3.10 -14 -6 4 2.40 3.20 13 6 -4 18.40 4.70 13 6 -4 21.80 3.50 -13 -6 4 21.20 3.50 12 6 -4 397.06 24.10 12 6 -4 434.06 23.00 -12 -6 4 412.96 23.20 11 6 -4 489.65 26.90 11 6 -4 506.55 28.10 -11 -6 4 494.15 27.20 10 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1895.91 97.99 -1 -5 4 1829.12 97.89 0 -5 4 3.80 1.40 0 -5 4 3.10 1.30 1 -5 4 4.90 1.80 2 -5 4 38.00 4.00 3 -5 4 196.18 11.60 4 -5 4 71.79 6.00 5 -5 4 5.90 2.80 6 -5 4 334.57 19.40 7 -5 4 376.56 21.70 8 -5 4 27.10 4.50 9 -5 4 8.10 4.10 10 -5 4 35.00 5.30 11 -5 4 8.90 4.60 12 -5 4 25.00 5.40 13 -5 4 91.09 11.00 14 -5 4 14.30 7.00 14 -5 4 15.70 6.30 18 4 -4 30.70 7.90 17 4 -4 5.90 4.40 17 4 -4 1.30 5.70 -17 -4 4 -3.10 4.50 16 4 -4 5.50 4.20 16 4 -4 10.20 5.80 -16 -4 4 6.50 4.70 15 4 -4 66.59 7.50 15 4 -4 64.69 8.00 -15 -4 4 67.49 8.20 14 4 -4 1.80 4.50 14 4 -4 -1.20 3.10 -14 -4 4 1.70 3.30 13 4 -4 80.69 8.80 13 4 -4 81.39 6.70 -13 -4 4 66.59 7.20 12 4 -4 138.99 10.70 12 4 -4 149.59 9.20 -12 -4 4 132.89 9.70 11 4 -4 1448.16 79.59 11 4 -4 1536.95 78.69 -11 -4 4 1483.45 79.09 10 4 -4 769.02 40.30 10 4 -4 748.73 41.10 -10 -4 4 747.93 40.70 9 4 -4 14.40 2.10 9 4 -4 13.40 3.20 -9 -4 4 11.30 2.50 8 4 -4 359.66 19.60 8 4 -4 350.66 20.40 -8 -4 4 386.56 19.70 -8 -4 4 353.26 20.00 7 4 -4 2200.78 115.99 7 4 -4 2213.38 115.39 -7 -4 4 2201.18 115.39 -7 -4 4 2181.78 115.69 6 4 -4 3096.79 141.59 6 4 -4 2666.13 141.99 6 4 -4 2590.14 141.49 -6 -4 4 2554.74 141.69 -6 -4 4 2590.94 141.49 5 4 -4 208.78 11.30 5 4 -4 201.08 11.80 5 4 -4 214.48 11.20 -5 -4 4 208.28 11.50 -5 -4 4 198.08 11.20 4 4 -4 618.94 33.40 4 4 -4 635.24 33.80 4 4 -4 662.43 33.40 -4 -4 4 614.64 33.40 -4 -4 4 625.74 33.40 3 4 -4 1697.13 91.29 3 4 -4 1732.73 91.49 3 4 -4 1747.23 91.39 -3 -4 4 1778.52 91.29 2 4 -4 1409.56 80.09 2 4 -4 1549.24 80.19 2 4 -4 1549.84 80.29 -2 -4 4 1617.74 80.09 -2 -4 4 1507.15 80.19 -2 -4 4 1512.65 80.19 1 4 -4 866.31 44.80 -1 -4 4 808.32 44.70 -1 -4 4 836.32 44.60 -1 -4 4 867.71 44.80 0 -4 4 1880.71 92.29 0 -4 4 1749.22 92.09 0 -4 4 1627.04 92.09 1 -4 4 287.27 15.80 2 -4 4 2393.06 125.89 3 -4 4 165.48 9.90 4 -4 4 87.99 6.30 5 -4 4 4.60 2.40 6 -4 4 43.10 5.20 7 -4 4 340.77 19.60 8 -4 4 102.49 8.30 9 -4 4 148.09 10.70 10 -4 4 27.10 4.80 11 -4 4 1.60 3.90 12 -4 4 28.00 5.20 13 -4 4 34.80 6.90 13 -4 4 25.80 5.80 14 -4 4 5.70 6.50 14 -4 4 9.70 5.50 15 -4 4 11.00 7.10 15 -4 4 -0.70 5.80 17 3 -4 72.69 8.90 17 3 -4 71.39 9.10 -17 -3 4 52.19 7.40 16 3 -4 40.00 6.90 16 3 -4 44.30 5.50 -16 -3 4 45.20 6.20 15 3 -4 33.30 4.50 15 3 -4 26.70 6.40 -15 -3 4 21.00 4.80 14 3 -4 1.30 3.20 14 3 -4 -0.90 4.90 -14 -3 4 5.10 3.70 13 3 -4 -0.50 2.80 13 3 -4 -1.60 3.90 -13 -3 4 3.20 3.10 12 3 -4 235.18 15.50 12 3 -4 255.47 14.20 -12 -3 4 237.28 14.80 11 3 -4 106.99 7.10 11 3 -4 95.29 8.80 -11 -3 4 99.69 7.80 10 3 -4 496.35 25.90 10 3 -4 478.55 26.90 -10 -3 4 464.05 26.40 9 3 -4 92.69 5.90 9 3 -4 83.19 7.20 -9 -3 4 92.19 6.70 8 3 -4 157.08 10.30 8 3 -4 170.98 9.40 -8 -3 4 166.98 10.10 7 3 -4 109.29 6.40 7 3 -4 111.69 7.40 -7 -3 4 113.79 6.40 -7 -3 4 104.39 7.00 6 3 -4 368.26 19.50 6 3 -4 358.26 20.20 6 3 -4 378.86 19.70 -6 -3 4 354.06 20.00 -6 -3 4 370.76 19.60 5 3 -4 65.39 4.80 5 3 -4 71.49 4.10 5 3 -4 75.09 4.30 -5 -3 4 62.99 4.70 -5 -3 4 67.99 4.10 4 3 -4 413.86 21.70 4 3 -4 420.86 22.10 -4 -3 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16 -5 11.10 5.90 13 16 -5 5.10 6.30 -13 -16 5 15.90 4.00 12 16 -5 11.60 6.10 12 16 -5 10.10 6.10 -12 -16 5 20.50 4.00 11 16 -5 37.30 7.00 11 16 -5 41.80 6.90 -11 -16 5 35.00 4.80 10 16 -5 47.10 6.90 10 16 -5 49.50 7.60 -10 -16 5 61.79 5.60 9 16 -5 186.88 14.30 9 16 -5 176.28 15.20 -9 -16 5 218.68 12.90 8 16 -5 64.29 7.10 8 16 -5 60.19 8.00 -8 -16 5 62.39 7.70 7 16 -5 3.30 5.80 7 16 -5 6.30 4.70 -7 -16 5 5.30 3.90 6 16 -5 40.00 7.20 -6 -16 5 55.99 5.90 5 16 -5 10.60 6.20 -5 -16 5 15.30 4.80 -4 -16 5 6.80 4.90 -3 -16 5 34.20 6.20 -2 -16 5 7.90 5.60 -1 -16 5 144.19 13.60 0 -16 5 16.60 6.10 1 -16 5 10.50 6.40 2 -16 5 -3.90 6.00 3 -16 5 12.20 7.70 15 15 -5 7.00 6.00 15 15 -5 18.20 7.50 14 15 -5 0.00 6.70 14 15 -5 0.70 5.60 13 15 -5 20.90 6.20 13 15 -5 28.90 7.10 -13 -15 5 27.00 4.50 12 15 -5 20.00 6.00 12 15 -5 26.20 6.40 -12 -15 5 23.40 3.90 11 15 -5 26.10 5.90 11 15 -5 23.50 6.00 -11 -15 5 27.30 4.20 10 15 -5 24.30 5.90 10 15 -5 25.00 5.50 -10 -15 5 25.50 4.00 9 15 -5 25.80 5.20 9 15 -5 30.50 6.20 -9 -15 5 30.90 4.20 8 15 -5 135.89 11.60 8 15 -5 116.19 12.30 -8 -15 5 176.48 10.50 7 15 -5 373.06 22.70 7 15 -5 365.46 23.70 -7 -15 5 417.36 22.10 6 15 -5 484.55 28.50 6 15 -5 488.45 29.50 -6 -15 5 529.85 28.10 5 15 -5 31.70 6.10 -5 -15 5 32.60 5.00 4 15 -5 76.39 8.60 -4 -15 5 84.99 9.00 -3 -15 5 3.30 4.40 -2 -15 5 8.00 5.10 -1 -15 5 10.10 5.20 0 -15 5 165.18 13.60 1 -15 5 210.98 16.30 2 -15 5 2.60 5.90 3 -15 5 29.60 7.70 4 -15 5 2.00 7.50 15 14 -5 23.60 7.80 15 14 -5 26.40 6.00 14 14 -5 14.20 5.60 14 14 -5 14.90 6.60 -14 -14 5 14.40 4.00 13 14 -5 25.40 6.60 13 14 -5 21.20 5.70 -13 -14 5 21.20 4.00 12 14 -5 10.90 5.10 12 14 -5 16.30 5.80 -12 -14 5 13.80 3.40 11 14 -5 37.20 5.80 11 14 -5 38.90 6.10 -11 -14 5 29.80 4.20 10 14 -5 98.19 10.20 10 14 -5 109.79 10.30 -10 -14 5 92.29 7.90 9 14 -5 228.58 16.00 9 14 -5 225.38 15.80 -9 -14 5 262.17 14.50 8 14 -5 26.10 4.90 8 14 -5 20.10 5.30 -8 -14 5 29.30 3.80 7 14 -5 141.09 12.30 7 14 -5 148.69 11.30 -7 -14 5 168.88 10.40 6 14 -5 107.19 10.70 6 14 -5 111.59 9.60 -6 -14 5 116.39 8.70 5 14 -5 81.79 10.00 -5 -14 5 96.29 8.30 4 14 -5 156.18 12.80 -4 -14 5 163.68 11.30 -3 -14 5 35.40 5.10 -2 -14 5 73.19 9.10 -1 -14 5 96.59 10.00 0 -14 5 7.00 5.10 1 -14 5 14.70 6.00 2 -14 5 41.10 7.00 3 -14 5 68.79 8.40 4 -14 5 16.00 6.80 5 -14 5 39.00 7.70 6 -14 5 28.00 8.40 16 13 -5 10.10 5.20 16 13 -5 5.90 7.10 15 13 -5 -0.80 6.30 15 13 -5 8.50 5.10 14 13 -5 6.10 6.00 14 13 -5 10.00 4.80 -14 -13 5 12.50 4.00 13 13 -5 38.90 5.60 -13 -13 5 30.20 4.40 12 13 -5 0.60 5.20 12 13 -5 -2.70 4.20 -12 -13 5 5.80 3.00 11 13 -5 97.59 9.90 11 13 -5 95.89 9.50 -11 -13 5 94.59 7.60 10 13 -5 72.69 8.40 10 13 -5 63.99 6.90 -10 -13 5 53.19 6.30 9 13 -5 402.76 23.50 9 13 -5 387.76 23.40 -9 -13 5 410.16 22.30 8 13 -5 58.19 6.50 8 13 -5 65.39 8.40 -8 -13 5 82.09 6.50 7 13 -5 535.95 32.00 7 13 -5 530.45 31.60 -7 -13 5 630.04 30.90 6 13 -5 87.19 9.40 6 13 -5 86.09 8.30 -6 -13 5 103.59 7.50 5 13 -5 68.29 7.30 5 13 -5 71.29 7.50 -5 -13 5 73.69 6.80 4 13 -5 26.50 5.30 -4 -13 5 43.60 4.70 3 13 -5 82.29 9.30 -3 -13 5 89.39 8.20 -2 -13 5 127.99 10.30 -1 -13 5 24.70 4.80 0 -13 5 163.58 12.50 1 -13 5 636.14 35.90 2 -13 5 11.80 5.00 3 -13 5 14.40 5.30 4 -13 5 2.70 5.60 5 -13 5 4.50 5.80 6 -13 5 33.70 7.70 7 -13 5 77.09 10.10 16 12 -5 8.60 4.70 16 12 -5 7.60 7.00 15 12 -5 4.80 4.50 15 12 -5 -2.60 6.40 14 12 -5 4.70 4.30 14 12 -5 12.80 6.20 -14 -12 5 8.10 3.50 13 12 -5 8.50 5.50 13 12 -5 6.20 4.30 -13 -12 5 6.60 3.40 12 12 -5 28.60 6.00 12 12 -5 34.20 4.90 -12 -12 5 26.80 4.00 11 12 -5 2.00 4.50 11 12 -5 3.80 3.70 -11 -12 5 0.60 2.80 10 12 -5 30.60 5.20 10 12 -5 39.40 4.90 -10 -12 5 23.70 3.70 9 12 -5 31.90 4.70 9 12 -5 31.70 4.90 -9 -12 5 28.80 3.60 8 12 -5 160.48 11.90 8 12 -5 163.28 11.80 -8 -12 5 197.18 10.80 7 12 -5 63.99 7.40 7 12 -5 45.20 5.50 -7 -12 5 69.09 5.80 6 12 -5 -2.50 3.70 6 12 -5 -0.20 3.40 -6 -12 5 3.70 2.70 5 12 -5 619.04 33.80 5 12 -5 584.34 34.20 -5 -12 5 642.64 33.40 4 12 -5 2.00 3.90 -4 -12 5 7.90 3.20 3 12 -5 206.78 14.70 -3 -12 5 238.08 13.80 -2 -12 5 7.40 3.60 -1 -12 5 11.60 4.00 0 -12 5 2.60 4.10 1 -12 5 91.29 9.50 2 -12 5 622.14 35.20 3 -12 5 87.89 10.00 4 -12 5 0.90 4.80 5 -12 5 3.40 5.30 6 -12 5 -2.80 5.90 7 -12 5 3.20 6.50 8 -12 5 153.58 15.60 17 11 -5 1.60 7.20 16 11 -5 1.90 4.20 16 11 -5 -1.00 6.00 15 11 -5 1.20 4.10 15 11 -5 9.20 6.00 -15 -11 5 3.80 3.30 14 11 -5 4.60 3.90 14 11 -5 10.50 5.50 -14 -11 5 13.10 3.60 13 11 -5 7.00 3.80 13 11 -5 2.50 5.20 -13 -11 5 1.80 2.90 12 11 -5 2.50 4.80 12 11 -5 -4.70 3.50 -12 -11 5 1.30 2.80 11 11 -5 248.78 15.50 11 11 -5 249.78 14.70 -11 -11 5 213.58 13.80 10 11 -5 16.80 4.00 10 11 -5 15.50 4.40 -10 -11 5 13.70 3.00 9 11 -5 148.89 10.70 9 11 -5 141.49 10.20 -9 -11 5 133.79 9.10 8 11 -5 13.90 3.90 8 11 -5 8.90 3.70 -8 -11 5 18.00 2.80 7 11 -5 587.84 35.10 7 11 -5 588.54 35.00 -7 -11 5 733.93 34.40 6 11 -5 140.99 10.50 6 11 -5 138.69 10.00 -6 -11 5 157.68 9.30 5 11 -5 78.19 7.20 5 11 -5 80.19 7.80 -5 -11 5 90.49 6.50 4 11 -5 950.10 52.89 4 11 -5 982.60 52.59 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43.70 -5 -10 5 850.61 43.10 4 10 -5 37.20 4.70 4 10 -5 46.20 5.20 -4 -10 5 55.39 4.90 3 10 -5 12.70 3.50 -3 -10 5 6.80 2.50 2 10 -5 6.90 3.30 -2 -10 5 10.00 3.00 -1 -10 5 137.09 9.60 0 -10 5 701.93 38.40 1 -10 5 310.17 18.40 2 -10 5 780.82 42.80 3 -10 5 3.60 4.10 4 -10 5 459.95 26.80 5 -10 5 16.40 4.80 6 -10 5 7.70 4.80 7 -10 5 49.30 6.70 8 -10 5 17.90 5.90 9 -10 5 105.69 12.60 10 -10 5 26.30 7.00 17 9 -5 -0.30 6.60 16 9 -5 35.00 6.90 16 9 -5 46.20 5.30 15 9 -5 20.20 4.40 15 9 -5 16.30 6.10 -15 -9 5 20.00 4.10 14 9 -5 32.20 4.50 14 9 -5 32.80 6.30 -14 -9 5 31.30 4.40 13 9 -5 87.69 7.60 13 9 -5 91.39 9.80 -13 -9 5 89.89 7.80 12 9 -5 60.49 5.90 12 9 -5 45.00 5.90 -12 -9 5 50.39 5.90 11 9 -5 25.70 4.80 11 9 -5 30.10 3.90 -11 -9 5 31.20 3.70 10 9 -5 207.38 12.10 10 9 -5 212.08 13.20 -10 -9 5 180.38 11.80 9 9 -5 40.70 4.90 9 9 -5 52.09 5.40 -9 -9 5 33.20 4.50 8 9 -5 26.90 4.10 8 9 -5 32.90 3.60 -8 -9 5 24.90 3.10 7 9 -5 10.60 3.30 7 9 -5 16.10 3.10 -7 -9 5 20.00 2.60 6 9 -5 24.50 3.50 6 9 -5 32.30 3.60 5 9 -5 4.90 2.40 5 9 -5 2.70 2.50 -5 -9 5 4.00 1.90 4 9 -5 408.36 23.60 4 9 -5 423.76 23.40 -4 -9 5 438.36 23.10 3 9 -5 273.77 16.50 3 9 -5 288.07 16.20 -3 -9 5 284.97 15.90 2 9 -5 599.74 33.40 -2 -9 5 620.54 33.10 -1 -9 5 678.33 36.70 0 -9 5 1.70 2.60 1 -9 5 25.20 4.00 2 -9 5 46.00 5.20 3 -9 5 206.08 13.60 4 -9 5 678.93 37.70 5 -9 5 10.20 4.30 6 -9 5 -1.90 4.50 7 -9 5 8.50 5.30 8 -9 5 6.10 5.40 9 -9 5 33.40 6.50 10 -9 5 166.58 14.80 11 -9 5 41.90 8.00 17 8 -5 25.60 6.90 16 8 -5 46.30 7.40 16 8 -5 43.90 5.20 -16 -8 5 34.00 6.50 15 8 -5 94.29 8.50 15 8 -5 96.19 10.90 -15 -8 5 100.69 8.60 14 8 -5 51.39 6.00 14 8 -5 37.20 6.10 -14 -8 5 58.29 6.70 13 8 -5 18.50 3.40 13 8 -5 23.20 5.50 -13 -8 5 11.90 3.50 12 8 -5 26.40 5.40 12 8 -5 28.10 3.70 -12 -8 5 26.80 3.70 11 8 -5 13.70 4.20 11 8 -5 2.70 2.60 -11 -8 5 7.10 2.70 10 8 -5 9.70 2.60 10 8 -5 12.20 3.70 -10 -8 5 8.00 2.60 9 8 -5 711.83 39.50 9 8 -5 778.62 38.80 -9 -8 5 676.03 38.70 8 8 -5 282.37 15.10 8 8 -5 260.07 15.60 -8 -8 5 249.48 14.80 7 8 -5 295.17 16.50 7 8 -5 295.37 17.00 -7 -8 5 289.77 16.20 6 8 -5 116.59 7.80 6 8 -5 117.69 8.10 5 8 -5 355.16 19.60 5 8 -5 345.57 19.60 4 8 -5 680.53 38.20 4 8 -5 708.53 38.20 -4 -8 5 738.13 37.80 3 8 -5 38.00 3.90 3 8 -5 33.00 3.60 -3 -8 5 38.40 3.90 2 8 -5 660.33 36.80 -2 -8 5 696.03 36.40 -1 -8 5 500.95 27.30 0 -8 5 4.70 2.60 1 -8 5 291.37 16.90 2 -8 5 136.69 9.50 3 -8 5 222.88 14.00 4 -8 5 12.80 3.90 5 -8 5 176.98 12.40 6 -8 5 36.40 5.40 7 -8 5 4.10 4.20 8 -8 5 351.96 21.80 9 -8 5 8.50 5.30 10 -8 5 8.10 5.80 11 -8 5 38.50 6.90 12 -8 5 34.30 7.30 17 7 -5 16.00 6.60 16 7 -5 74.39 7.80 16 7 -5 57.09 7.80 -16 -7 5 63.39 8.00 15 7 -5 26.90 4.30 15 7 -5 21.00 5.50 -15 -7 5 20.70 4.40 14 7 -5 8.00 5.00 14 7 -5 8.60 3.30 -14 -7 5 5.40 3.30 13 7 -5 110.19 7.90 13 7 -5 109.09 10.00 -13 -7 5 101.39 8.50 12 7 -5 8.60 4.50 12 7 -5 6.50 2.50 -12 -7 5 8.20 3.00 11 7 -5 50.09 4.90 11 7 -5 44.80 5.30 -11 -7 5 44.30 5.30 10 7 -5 201.28 13.20 10 7 -5 220.38 12.10 -10 -7 5 197.18 12.30 9 7 -5 6.60 3.30 9 7 -5 4.10 2.10 -9 -7 5 1.40 2.20 8 7 -5 4.00 3.10 8 7 -5 4.70 2.00 -8 -7 5 -0.60 1.90 7 7 -5 258.87 14.00 7 7 -5 253.47 14.70 -7 -7 5 234.98 13.90 6 7 -5 109.59 7.40 6 7 -5 97.99 6.80 -6 -7 5 102.69 6.50 5 7 -5 1171.18 64.99 5 7 -5 1160.28 64.79 -5 -7 5 1337.77 64.59 4 7 -5 9.50 2.30 4 7 -5 15.00 2.40 -4 -7 5 13.30 1.90 3 7 -5 913.21 49.70 3 7 -5 908.61 49.60 -3 -7 5 972.70 49.40 2 7 -5 153.08 10.00 -2 -7 5 170.78 9.60 -1 -7 5 129.19 8.10 0 -7 5 607.84 32.90 1 -7 5 1911.41 100.99 2 -7 5 694.63 37.70 3 -7 5 1140.89 61.09 4 -7 5 652.63 35.80 5 -7 5 10.90 3.80 6 -7 5 808.22 44.20 7 -7 5 12.40 4.20 8 -7 5 480.25 27.90 9 -7 5 47.40 6.40 10 -7 5 64.29 7.50 11 -7 5 11.20 5.80 12 -7 5 11.00 6.00 18 6 -5 23.70 7.40 17 6 -5 30.00 6.90 16 6 -5 132.49 12.80 16 6 -5 136.49 10.20 -16 -6 5 131.49 11.20 15 6 -5 31.20 6.20 15 6 -5 39.30 4.60 -15 -6 5 42.80 5.20 14 6 -5 307.77 17.40 14 6 -5 302.77 19.20 -14 -6 5 294.07 18.00 13 6 -5 48.60 6.60 13 6 -5 71.89 6.00 -13 -6 5 73.29 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6 220.28 15.50 0 -14 6 23.50 6.20 1 -14 6 168.58 13.80 2 -14 6 93.49 11.40 3 -14 6 8.90 6.20 4 -14 6 52.99 8.60 5 -14 6 32.30 8.00 16 13 -6 1.80 7.50 15 13 -6 5.60 7.00 15 13 -6 1.40 4.60 14 13 -6 2.70 6.00 14 13 -6 0.80 4.70 -14 -13 6 13.30 4.00 13 13 -6 -3.90 5.70 13 13 -6 -1.70 4.30 -13 -13 6 6.80 3.70 12 13 -6 8.90 4.50 12 13 -6 10.20 5.50 -12 -13 6 10.00 3.70 11 13 -6 67.69 8.50 11 13 -6 77.69 9.30 -11 -13 6 58.59 7.00 10 13 -6 58.79 7.00 10 13 -6 76.89 8.70 -10 -13 6 64.39 6.90 9 13 -6 32.10 5.50 9 13 -6 42.90 5.90 -9 -13 6 28.10 4.10 8 13 -6 10.10 4.40 8 13 -6 9.90 4.70 -8 -13 6 21.60 3.70 7 13 -6 268.27 17.00 7 13 -6 252.67 17.40 -7 -13 6 298.77 16.20 6 13 -6 271.87 18.30 6 13 -6 280.87 17.80 -6 -13 6 316.57 17.10 5 13 -6 30.90 5.60 -5 -13 6 35.60 4.30 4 13 -6 149.88 12.60 -4 -13 6 176.98 11.30 -3 -13 6 4.90 3.90 -2 -13 6 16.40 4.20 -1 -13 6 167.88 12.40 0 -13 6 6.80 4.70 1 -13 6 56.29 6.90 2 -13 6 20.40 5.90 3 -13 6 20.90 6.20 4 -13 6 88.19 11.30 5 -13 6 98.29 12.80 6 -13 6 11.70 7.40 7 -13 6 42.80 8.80 16 12 -6 30.20 8.30 15 12 -6 26.10 5.10 15 12 -6 29.10 7.40 -15 -12 6 21.30 6.00 14 12 -6 115.09 9.80 14 12 -6 113.49 11.90 -14 -12 6 99.29 9.10 13 12 -6 38.10 5.40 13 12 -6 40.60 7.00 -13 -12 6 37.50 4.70 12 12 -6 63.89 7.40 12 12 -6 45.50 6.60 -12 -12 6 36.20 4.60 11 12 -6 4.60 3.80 11 12 -6 7.70 4.90 -11 -12 6 8.10 3.20 10 12 -6 196.98 13.30 10 12 -6 198.58 12.60 -10 -12 6 167.08 11.70 9 12 -6 178.78 12.20 9 12 -6 170.48 12.40 -9 -12 6 174.08 11.00 8 12 -6 -1.00 3.70 8 12 -6 -3.30 3.70 -8 -12 6 0.00 2.90 7 12 -6 165.98 12.20 7 12 -6 153.98 12.10 -7 -12 6 203.98 11.20 6 12 -6 33.20 5.20 6 12 -6 35.60 5.00 -6 -12 6 50.79 5.60 5 12 -6 96.09 9.40 5 12 -6 106.19 9.00 -5 -12 6 120.29 8.10 4 12 -6 -4.40 3.80 -4 -12 6 3.90 3.10 -3 -12 6 33.30 4.40 -2 -12 6 84.99 8.00 -1 -12 6 17.50 4.60 0 -12 6 302.47 18.70 1 -12 6 14.80 4.50 2 -12 6 56.19 6.90 3 -12 6 45.10 6.30 4 -12 6 8.10 5.80 5 -12 6 45.20 7.40 6 -12 6 61.69 8.10 7 -12 6 8.60 6.80 8 -12 6 -2.40 6.70 16 11 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6.20 6 7 -7 717.83 43.20 6 7 -7 843.02 42.80 -6 -7 7 841.12 42.80 5 7 -7 85.89 6.40 5 7 -7 82.49 7.00 -5 -7 7 104.09 6.50 4 7 -7 733.23 44.10 -4 -7 7 906.91 43.80 3 7 -7 20.10 3.40 -3 -7 7 24.80 2.90 -2 -7 7 -1.80 2.20 -1 -7 7 91.19 6.60 0 -7 7 198.48 11.90 1 -7 7 662.83 35.90 2 -7 7 18.70 3.30 3 -7 7 670.83 36.70 4 -7 7 71.69 7.50 5 -7 7 2.70 4.00 6 -7 7 157.18 11.80 7 -7 7 32.50 5.60 8 -7 7 194.98 14.50 9 -7 7 127.09 12.20 10 -7 7 51.49 7.40 11 -7 7 4.50 6.00 12 -7 7 1.70 6.70 17 6 -7 20.50 7.50 16 6 -7 28.90 7.30 -16 -6 7 31.80 6.00 15 6 -7 7.40 5.50 -15 -6 7 6.40 4.50 14 6 -7 6.80 4.90 14 6 -7 5.20 2.60 -14 -6 7 7.10 4.00 13 6 -7 24.20 5.40 13 6 -7 16.90 2.80 -13 -6 7 17.00 4.10 12 6 -7 123.89 10.40 12 6 -7 118.79 7.60 -12 -6 7 110.29 9.40 11 6 -7 -0.10 2.00 11 6 -7 7.20 4.10 -11 -6 7 1.90 3.10 10 6 -7 682.73 34.70 10 6 -7 638.54 35.80 -10 -6 7 619.74 35.30 -10 -6 7 651.73 34.60 9 6 -7 205.48 13.10 9 6 -7 216.58 11.60 -9 -6 7 195.58 11.50 -9 -6 7 197.68 12.40 8 6 -7 649.93 35.20 8 6 -7 673.53 34.30 -8 -6 7 639.34 34.80 -8 -6 7 606.84 34.10 7 6 -7 7.30 1.90 7 6 -7 5.10 2.80 -7 -6 7 8.00 1.70 6 6 -7 48.30 3.90 6 6 -7 41.90 5.10 -6 -6 7 36.20 3.50 5 6 -7 474.55 25.90 5 6 -7 468.45 25.40 -5 -6 7 436.16 25.30 -5 -6 7 505.45 25.50 4 6 -7 458.35 28.60 -4 -6 7 591.04 28.40 3 6 -7 844.32 47.70 -3 -6 7 937.71 47.30 -2 -6 7 68.59 5.10 -1 -6 7 106.29 7.00 0 -6 7 134.59 8.60 1 -6 7 9.20 2.50 2 -6 7 144.99 9.50 3 -6 7 775.02 41.90 4 -6 7 485.85 27.20 5 -6 7 29.10 4.50 6 -6 7 1.10 3.80 7 -6 7 126.99 10.40 8 -6 7 25.10 5.10 9 -6 7 50.49 6.40 10 -6 7 123.89 11.80 11 -6 7 193.38 15.10 12 -6 7 81.19 9.00 17 5 -7 47.60 8.50 -17 -5 7 39.60 6.80 16 5 -7 12.90 6.80 -16 -5 7 4.20 5.20 15 5 -7 18.80 6.30 -15 -5 7 12.60 5.10 14 5 -7 136.49 8.60 14 5 -7 121.19 11.60 -14 -5 7 136.99 11.10 13 5 -7 82.59 9.20 13 5 -7 81.19 5.90 -13 -5 7 77.99 8.30 12 5 -7 53.19 4.60 12 5 -7 50.69 6.00 -12 -5 7 46.60 5.50 11 5 -7 77.89 5.40 11 5 -7 75.09 8.10 -11 -5 7 74.89 7.50 10 5 -7 3.10 3.50 10 5 -7 4.40 1.70 -10 -5 7 1.90 2.80 9 5 -7 33.40 3.10 9 5 -7 36.90 4.80 -9 -5 7 29.00 3.10 -9 -5 7 25.00 3.70 8 5 -7 684.93 38.00 8 5 -7 724.63 37.00 -8 -5 7 679.33 37.70 -8 -5 7 701.63 37.00 7 5 -7 29.40 3.80 7 5 -7 31.10 2.90 -7 -5 7 22.30 3.20 -7 -5 7 27.80 2.70 6 5 -7 428.86 23.40 6 5 -7 449.16 22.70 -6 -5 7 406.96 22.50 -6 -5 7 404.06 23.10 5 5 -7 2.00 1.50 5 5 -7 1.00 2.30 -5 -5 7 6.30 1.40 -5 -5 7 2.50 2.00 4 5 -7 287.17 16.60 -4 -5 7 278.57 16.00 -4 -5 7 314.57 16.30 3 5 -7 161.38 10.40 -3 -5 7 161.98 9.90 -3 -5 7 197.38 10.10 -2 -5 7 118.29 7.20 -1 -5 7 111.09 7.00 0 -5 7 1039.80 55.09 1 -5 7 121.59 7.80 2 -5 7 1427.16 75.59 3 -5 7 54.79 5.60 4 -5 7 6.50 2.80 5 -5 7 1755.82 93.09 6 -5 7 394.86 22.60 7 -5 7 16.70 4.20 8 -5 7 58.59 7.70 9 -5 7 271.47 17.30 10 -5 7 4.30 4.60 11 -5 7 26.90 5.80 12 -5 7 6.00 5.50 13 -5 7 16.80 7.60 13 -5 7 31.00 6.80 17 4 -7 63.89 8.50 -17 -4 7 55.29 7.50 16 4 -7 29.70 7.10 -16 -4 7 16.70 5.40 15 4 -7 26.20 6.70 -15 -4 7 26.90 5.50 14 4 -7 116.49 11.10 14 4 -7 113.69 7.90 -14 -4 7 130.99 11.00 13 4 -7 63.09 5.10 13 4 -7 52.89 6.70 -13 -4 7 53.89 6.10 12 4 -7 330.57 18.20 12 4 -7 328.87 20.20 -12 -4 7 343.47 20.00 11 4 -7 16.80 2.20 11 4 -7 19.50 4.50 -11 -4 7 21.40 4.00 10 4 -7 20.50 4.40 10 4 -7 30.00 2.90 -10 -4 7 22.60 3.90 9 4 -7 9.90 1.60 9 4 -7 9.60 3.60 -9 -4 7 6.10 2.90 8 4 -7 57.09 3.70 8 4 -7 51.19 5.80 -8 -4 7 52.69 5.60 -8 -4 7 56.99 3.70 7 4 -7 48.50 5.40 7 4 -7 50.69 3.40 -7 -4 7 48.90 3.30 -7 -4 7 46.00 4.80 6 4 -7 587.04 29.70 6 4 -7 592.14 30.60 -6 -4 7 524.95 30.30 -6 -4 7 537.85 29.60 5 4 -7 531.35 28.00 -5 -4 7 500.95 27.70 -5 -4 7 507.65 27.20 4 4 -7 2323.17 121.09 -4 -4 7 2276.27 120.79 -4 -4 7 2294.57 120.49 3 4 -7 320.47 19.10 -3 -4 7 395.16 18.90 -3 -4 7 321.67 18.60 2 4 -7 114.79 7.40 -2 -4 7 110.59 6.90 -1 -4 7 356.96 19.40 0 -4 7 3907.61 204.88 1 -4 7 1310.77 69.29 2 -4 7 1224.18 64.79 3 -4 7 628.34 33.90 4 -4 7 121.49 8.20 5 -4 7 219.98 13.30 6 -4 7 21.30 3.50 7 -4 7 564.34 31.20 8 -4 7 42.80 5.10 9 -4 7 113.19 9.70 10 -4 7 85.09 9.10 11 -4 7 47.30 6.10 12 -4 7 2.10 6.60 12 -4 7 5.90 4.80 13 -4 7 1.50 6.80 13 -4 7 3.20 5.30 14 -4 7 -0.60 5.60 14 -4 7 -1.50 7.70 17 3 -7 6.50 7.00 -17 -3 7 5.80 6.10 16 3 -7 45.90 7.60 -16 -3 7 44.90 6.90 15 3 -7 52.09 7.40 -15 -3 7 45.40 6.50 14 3 -7 1.00 2.50 14 3 -7 0.00 4.80 -14 -3 7 2.70 4.60 13 3 -7 3.90 4.60 13 3 -7 -2.20 2.20 -13 -3 7 6.30 4.10 12 3 -7 119.79 9.60 12 3 -7 103.89 6.60 -12 -3 7 84.49 9.20 11 3 -7 138.69 7.90 11 3 -7 129.89 10.30 -11 -3 7 134.59 10.40 10 3 -7 5.00 1.40 10 3 -7 1.50 3.60 -10 -3 7 4.90 3.10 9 3 -7 139.69 7.60 9 3 -7 130.59 9.60 -9 -3 7 136.89 9.50 8 3 -7 55.99 6.20 8 3 -7 70.49 4.00 -8 -3 7 64.89 6.10 7 3 -7 136.89 9.00 7 3 -7 139.19 7.40 -7 -3 7 128.59 8.90 6 3 -7 309.97 17.30 -6 -3 7 304.97 16.20 -6 -3 7 303.67 17.20 5 3 -7 -1.50 1.80 -5 -3 7 1.50 0.80 -5 -3 7 -0.60 1.90 4 3 -7 81.49 5.80 -4 -3 7 83.29 4.70 -4 -3 7 75.09 5.60 3 3 -7 2.70 1.80 -3 -3 7 1.40 1.70 -3 -3 7 2.60 1.10 2 3 -7 2974.50 163.18 -2 -3 7 2970.40 162.88 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13 -8 51.79 6.10 -13 -13 8 43.70 5.50 12 13 -8 28.20 6.70 12 13 -8 18.90 5.20 -12 -13 8 18.40 4.40 11 13 -8 59.89 6.50 11 13 -8 60.49 7.70 -11 -13 8 48.00 5.50 10 13 -8 10.70 5.50 10 13 -8 8.10 4.80 -10 -13 8 0.40 3.80 9 13 -8 2.60 4.50 9 13 -8 1.30 5.00 -9 -13 8 -0.80 3.80 8 13 -8 9.10 5.20 8 13 -8 13.10 5.00 -8 -13 8 17.70 4.30 7 13 -8 17.30 5.10 7 13 -8 14.50 5.20 -7 -13 8 15.50 4.20 6 13 -8 747.83 45.20 -6 -13 8 894.81 44.60 -5 -13 8 195.38 13.00 -4 -13 8 345.77 20.30 -3 -13 8 3.50 4.00 -2 -13 8 9.10 4.40 -1 -13 8 351.76 21.30 0 -13 8 288.77 18.80 1 -13 8 232.58 16.60 2 -13 8 57.29 7.70 3 -13 8 53.49 8.00 4 -13 8 23.20 6.80 5 -13 8 4.80 6.90 15 12 -8 6.30 7.40 -15 -12 8 8.60 5.00 14 12 -8 76.79 9.20 -14 -12 8 73.89 8.80 13 12 -8 -0.20 5.90 13 12 -8 7.10 4.40 -13 -12 8 3.60 3.90 12 12 -8 -2.50 5.40 12 12 -8 4.50 4.50 -12 -12 8 8.40 4.00 11 12 -8 102.99 10.30 11 12 -8 90.69 9.00 -11 -12 8 75.79 8.00 10 12 -8 149.99 11.80 10 12 -8 162.68 11.00 -10 -12 8 111.19 10.00 9 12 -8 42.50 5.50 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170.58 11.90 1 -10 8 67.89 8.00 2 -10 8 42.60 5.50 3 -10 8 173.68 12.90 4 -10 8 91.49 10.50 5 -10 8 32.80 6.40 6 -10 8 12.80 6.10 7 -10 8 39.70 7.50 8 -10 8 20.40 7.60 9 -10 8 119.49 14.60 16 9 -8 14.00 7.70 -16 -9 8 11.20 5.20 15 9 -8 65.49 8.30 -15 -9 8 56.39 6.60 14 9 -8 2.30 5.70 -14 -9 8 1.80 4.40 13 9 -8 30.10 6.10 13 9 -8 31.10 3.90 -13 -9 8 23.10 4.80 12 9 -8 3.90 2.90 12 9 -8 1.60 5.20 -12 -9 8 3.30 3.70 11 9 -8 8.70 3.00 11 9 -8 6.30 4.50 -11 -9 8 2.10 3.60 10 9 -8 12.40 4.70 10 9 -8 10.40 3.10 -10 -9 8 9.80 3.50 9 9 -8 506.85 27.90 9 9 -8 525.75 26.90 -9 -9 8 434.06 26.90 8 9 -8 347.47 19.70 8 9 -8 357.66 18.90 -8 -9 8 290.77 18.80 7 9 -8 374.26 20.80 7 9 -8 383.16 21.40 -7 -9 8 349.77 20.60 6 9 -8 18.70 4.00 6 9 -8 19.70 3.60 -6 -9 8 14.90 3.30 5 9 -8 32.00 4.70 4 9 -8 16.60 4.00 -4 -9 8 17.40 3.20 -3 -9 8 74.39 6.40 -2 -9 8 212.48 12.90 -1 -9 8 159.98 10.60 0 -9 8 117.59 8.90 1 -9 8 367.76 21.30 2 -9 8 26.30 4.80 3 -9 8 9.70 4.50 4 -9 8 24.20 5.00 5 -9 8 24.20 5.40 6 -9 8 251.57 17.10 7 -9 8 43.00 6.80 8 -9 8 36.00 6.90 9 -9 8 4.60 6.40 10 -9 8 -3.20 7.20 16 8 -8 2.20 6.80 -16 -8 8 -0.30 4.80 15 8 -8 19.50 6.60 -15 -8 8 15.70 5.10 14 8 -8 61.09 8.30 -14 -8 8 53.49 6.30 13 8 -8 122.69 8.00 13 8 -8 105.89 11.00 -13 -8 8 108.19 10.00 12 8 -8 4.20 2.60 12 8 -8 10.00 5.10 -12 -8 8 4.10 3.60 11 8 -8 13.50 2.70 11 8 -8 8.10 4.50 -11 -8 8 7.50 3.60 10 8 -8 10.50 2.70 10 8 -8 7.20 4.60 -10 -8 8 5.50 3.30 9 8 -8 13.90 2.90 9 8 -8 11.10 4.30 -9 -8 8 7.70 3.30 8 8 -8 110.19 8.60 8 8 -8 108.49 7.20 -8 -8 8 84.19 7.50 7 8 -8 132.49 9.40 7 8 -8 130.59 8.20 -7 -8 8 105.59 8.40 6 8 -8 75.59 6.20 6 8 -8 71.29 7.10 -6 -8 8 72.39 6.30 5 8 -8 422.46 25.70 -5 -8 8 493.15 25.20 4 8 -8 34.20 4.50 -3 -8 8 147.09 9.40 -2 -8 8 94.29 7.10 -1 -8 8 256.07 15.00 0 -8 8 21.90 3.30 1 -8 8 618.94 33.90 2 -8 8 86.59 7.90 3 -8 8 370.26 21.60 4 -8 8 22.40 4.80 5 -8 8 1.40 4.40 6 -8 8 22.50 5.40 7 -8 8 50.09 6.80 8 -8 8 46.40 7.00 9 -8 8 22.60 6.60 10 -8 8 19.20 6.70 17 7 -8 18.30 8.10 16 7 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5.50 16 6 -8 6.10 6.60 -16 -6 8 10.30 5.20 15 6 -8 21.60 6.50 -15 -6 8 9.20 5.00 14 6 -8 31.00 6.50 -14 -6 8 17.40 5.10 13 6 -8 102.19 9.90 13 6 -8 85.59 6.00 -13 -6 8 72.29 8.70 12 6 -8 12.90 5.30 12 6 -8 11.30 2.30 -12 -6 8 11.40 4.00 11 6 -8 177.28 10.20 11 6 -8 180.98 12.70 -11 -6 8 174.78 11.90 10 6 -8 11.00 4.20 10 6 -8 5.60 1.90 -10 -6 8 2.30 1.90 -10 -6 8 4.90 3.20 9 6 -8 0.10 3.50 9 6 -8 -0.80 1.90 -9 -6 8 -2.50 2.90 -9 -6 8 -2.00 1.70 8 6 -8 333.07 19.70 8 6 -8 368.26 18.50 -8 -6 8 319.27 18.30 -8 -6 8 331.87 19.30 7 6 -8 157.08 10.20 7 6 -8 160.28 8.90 -7 -6 8 148.89 8.70 -7 -6 8 135.09 9.70 6 6 -8 479.75 25.50 -6 -6 8 444.66 24.60 -6 -6 8 452.55 25.10 5 6 -8 795.12 41.80 -5 -6 8 753.12 41.40 4 6 -8 1.70 2.60 -4 -6 8 2.10 2.40 3 6 -8 5.40 2.70 -3 -6 8 8.40 2.40 -2 -6 8 1607.34 84.79 -1 -6 8 746.73 39.90 0 -6 8 334.87 18.70 1 -6 8 59.39 5.60 2 -6 8 178.58 11.20 3 -6 8 476.05 26.50 4 -6 8 83.79 7.60 5 -6 8 18.10 3.90 6 -6 8 -4.60 3.80 7 -6 8 162.78 12.10 8 -6 8 254.17 16.60 9 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29.60 3 -5 8 1874.51 99.09 4 -5 8 80.09 7.00 5 -5 8 1049.70 56.29 6 -5 8 42.40 5.00 7 -5 8 28.70 4.90 8 -5 8 206.38 13.90 9 -5 8 43.40 5.80 10 -5 8 220.48 15.40 11 -5 8 8.00 5.40 12 -5 8 28.10 6.60 13 -5 8 17.90 6.70 13 -5 8 4.00 8.20 17 4 -8 37.40 8.00 -17 -4 8 33.40 6.90 16 4 -8 63.69 8.70 -16 -4 8 67.59 7.90 15 4 -8 45.10 6.90 -15 -4 8 43.70 6.60 14 4 -8 17.20 5.80 -14 -4 8 10.20 5.10 13 4 -8 19.60 2.40 13 4 -8 12.60 5.20 -13 -4 8 17.20 4.80 12 4 -8 265.67 17.00 12 4 -8 264.37 14.40 -12 -4 8 264.67 16.70 11 4 -8 210.08 11.50 11 4 -8 216.58 14.10 -11 -4 8 205.88 13.80 10 4 -8 121.49 9.60 10 4 -8 123.39 6.80 -10 -4 8 111.29 9.20 9 4 -8 546.65 30.40 -9 -4 8 546.65 30.30 8 4 -8 364.36 21.30 8 4 -8 381.26 19.80 -8 -4 8 369.16 21.10 7 4 -8 84.79 6.70 -7 -4 8 87.39 4.90 -7 -4 8 77.49 6.60 6 4 -8 15.60 2.90 -6 -4 8 21.80 2.00 -6 -4 8 16.10 3.00 5 4 -8 907.01 45.80 -5 -4 8 802.52 45.40 -5 -4 8 847.12 44.90 4 4 -8 755.12 40.90 -4 -4 8 763.22 40.20 -4 -4 8 762.32 40.60 3 4 -8 4.20 2.30 -3 -4 8 5.70 1.50 -3 -4 8 6.30 2.20 -2 -4 8 908.31 42.20 -2 -4 8 676.63 42.00 -1 -4 8 914.61 48.50 0 -4 8 163.78 9.60 1 -4 8 2.10 1.90 2 -4 8 110.49 7.40 3 -4 8 237.58 13.80 4 -4 8 87.59 6.80 5 -4 8 82.79 6.90 6 -4 8 14.80 3.60 7 -4 8 137.09 10.10 8 -4 8 76.29 8.10 9 -4 8 6.20 4.10 10 -4 8 46.80 5.90 11 -4 8 71.39 9.30 12 -4 8 51.89 8.80 12 -4 8 51.39 6.80 13 -4 8 8.20 5.70 13 -4 8 6.60 8.00 17 3 -8 -17.60 6.80 -17 -3 8 -6.50 5.60 16 3 -8 -3.40 6.20 -16 -3 8 -0.60 5.40 15 3 -8 13.80 6.00 -15 -3 8 27.80 5.80 14 3 -8 39.00 6.70 -14 -3 8 33.70 5.80 13 3 -8 129.59 7.70 13 3 -8 141.79 11.20 -13 -3 8 115.99 11.10 12 3 -8 2.60 4.20 12 3 -8 6.80 1.60 -12 -3 8 1.50 4.00 11 3 -8 357.56 19.00 11 3 -8 374.36 21.10 -11 -3 8 336.07 20.90 10 3 -8 17.70 4.40 -10 -3 8 18.10 4.00 9 3 -8 343.47 20.10 -9 -3 8 350.76 20.20 8 3 -8 487.65 27.40 -8 -3 8 500.85 27.40 7 3 -8 20.70 3.60 -7 -3 8 24.20 3.50 6 3 -8 56.29 5.30 -6 -3 8 51.09 5.30 5 3 -8 94.69 6.60 -5 -3 8 90.49 5.00 -5 -3 8 81.69 6.50 4 3 -8 145.09 9.10 -4 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7.90 4 -13 9 70.39 8.90 14 12 -9 251.47 17.60 -14 -12 9 189.28 14.60 13 12 -9 45.00 7.70 -13 -12 9 33.50 5.40 12 12 -9 69.59 8.70 12 12 -9 97.39 11.40 -12 -12 9 70.09 8.60 11 12 -9 1.30 5.50 11 12 -9 6.80 4.40 -11 -12 9 -4.00 3.70 10 12 -9 0.10 4.20 10 12 -9 4.20 5.30 -10 -12 9 -6.00 3.70 9 12 -9 3.40 5.10 9 12 -9 5.90 4.20 -9 -12 9 1.10 3.90 8 12 -9 96.69 10.30 -8 -12 9 85.99 8.50 7 12 -9 341.07 21.80 -7 -12 9 377.46 21.00 6 12 -9 32.50 6.10 -6 -12 9 29.80 4.80 -5 -12 9 10.80 4.10 -4 -12 9 58.29 7.50 -3 -12 9 27.60 4.90 -2 -12 9 166.88 12.10 -1 -12 9 17.60 4.80 0 -12 9 129.39 11.60 1 -12 9 23.00 5.50 2 -12 9 5.50 5.00 3 -12 9 19.40 6.10 4 -12 9 4.40 5.80 5 -12 9 12.10 6.70 6 -12 9 20.30 7.20 15 11 -9 8.80 7.50 -15 -11 9 12.60 5.40 14 11 -9 10.90 6.60 -14 -11 9 12.30 4.80 13 11 -9 7.00 5.80 -13 -11 9 0.60 4.10 12 11 -9 107.79 11.50 12 11 -9 110.49 8.80 -12 -11 9 92.39 9.20 11 11 -9 57.59 7.30 11 11 -9 48.30 5.40 10 11 -9 161.08 10.80 10 11 -9 163.58 12.40 -10 -11 9 128.29 10.60 9 11 -9 56.69 5.90 9 11 -9 65.79 7.30 -9 -11 9 50.69 5.60 -8 -11 9 61.89 5.80 7 11 -9 166.28 12.10 -7 -11 9 153.88 11.10 6 11 -9 433.06 27.10 -6 -11 9 506.05 26.30 -5 -11 9 764.82 41.30 -4 -11 9 230.28 14.20 -3 -11 9 327.17 19.10 -2 -11 9 8.90 4.00 -1 -11 9 14.80 4.30 0 -11 9 37.50 5.80 1 -11 9 36.10 5.40 2 -11 9 119.69 11.20 3 -11 9 9.70 5.60 4 -11 9 64.19 8.20 5 -11 9 26.00 6.50 6 -11 9 -0.60 6.30 7 -11 9 5.10 7.10 15 10 -9 18.10 7.30 -15 -10 9 15.60 5.30 14 10 -9 36.30 7.70 -14 -10 9 34.10 5.60 13 10 -9 5.40 5.60 -13 -10 9 -1.90 3.90 12 10 -9 9.90 5.80 12 10 -9 7.40 3.40 -12 -10 9 4.80 3.80 11 10 -9 75.59 6.70 11 10 -9 66.09 7.60 -11 -10 9 51.69 5.90 10 10 -9 5.90 5.00 10 10 -9 0.70 3.20 -10 -10 9 -8.70 3.30 9 10 -9 367.36 20.30 9 10 -9 401.76 21.70 -9 -10 9 300.07 20.20 8 10 -9 47.90 5.90 -8 -10 9 36.50 4.60 7 10 -9 26.70 5.10 -7 -10 9 15.80 3.90 6 10 -9 25.00 4.80 -6 -10 9 17.30 3.90 5 10 -9 168.58 13.00 -5 -10 9 211.78 12.40 -4 -10 9 493.75 27.30 -3 -10 9 59.79 6.70 -2 -10 9 573.64 31.60 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9 21.90 7.50 16 8 -9 71.19 9.40 -16 -8 9 45.10 7.00 15 8 -9 0.20 6.00 -15 -8 9 3.20 4.90 14 8 -9 25.30 6.70 -14 -8 9 16.10 5.10 13 8 -9 1.50 5.30 -13 -8 9 4.10 4.30 12 8 -9 83.69 10.20 12 8 -9 88.69 6.30 -12 -8 9 63.59 8.20 11 8 -9 83.09 9.30 11 8 -9 81.19 6.40 10 8 -9 233.28 12.80 10 8 -9 223.88 14.50 -10 -8 9 194.08 13.70 9 8 -9 20.50 4.70 9 8 -9 15.60 3.00 8 8 -9 -4.00 3.60 -8 -8 9 -5.60 2.90 7 8 -9 2.40 3.70 -7 -8 9 -0.80 3.10 6 8 -9 20.10 4.30 -6 -8 9 13.20 3.50 5 8 -9 55.39 5.80 -5 -8 9 54.69 5.90 4 8 -9 1169.58 66.89 -4 -8 9 1326.57 66.29 -3 -8 9 164.88 10.50 -2 -8 9 291.97 16.80 -1 -8 9 153.28 10.10 0 -8 9 42.80 4.80 1 -8 9 3.70 3.50 2 -8 9 64.49 7.40 3 -8 9 41.80 5.20 4 -8 9 272.17 17.10 5 -8 9 76.69 9.30 6 -8 9 81.59 10.00 7 -8 9 65.69 7.80 8 -8 9 14.20 5.90 9 -8 9 -3.40 5.90 10 -8 9 36.10 7.90 16 7 -9 20.10 7.30 -16 -7 9 14.70 5.70 15 7 -9 8.50 6.20 -15 -7 9 7.30 5.10 14 7 -9 56.09 7.80 -14 -7 9 45.70 6.10 13 7 -9 2.50 5.20 -13 -7 9 4.10 4.30 12 7 -9 75.79 6.70 12 7 -9 67.89 7.60 -12 -7 9 55.89 6.40 11 7 -9 -1.80 4.10 11 7 -9 4.70 2.20 -11 -7 9 4.30 3.60 10 7 -9 84.19 8.10 10 7 -9 67.29 5.00 -10 -7 9 46.80 5.60 9 7 -9 313.47 15.70 9 7 -9 299.67 17.30 -9 -7 9 263.67 16.70 -9 -7 9 247.98 15.40 8 7 -9 260.67 14.60 -8 -7 9 213.38 13.70 -8 -7 9 215.48 12.70 7 7 -9 966.80 49.60 -7 -7 9 865.11 49.00 6 7 -9 36.10 4.60 5 7 -9 43.30 4.80 4 7 -9 94.89 8.10 -4 -7 9 106.29 7.60 -3 -7 9 231.78 13.60 -2 -7 9 26.70 3.40 -1 -7 9 9.50 2.80 0 -7 9 581.74 31.70 1 -7 9 114.49 8.40 2 -7 9 214.38 13.40 3 -7 9 34.60 4.70 4 -7 9 67.69 7.70 5 -7 9 95.59 9.40 6 -7 9 19.30 5.00 7 -7 9 218.88 15.50 8 -7 9 181.18 14.30 9 -7 9 13.00 5.80 10 -7 9 37.90 7.20 11 -7 9 -3.40 6.30 16 6 -9 19.20 7.40 -16 -6 9 11.80 5.70 15 6 -9 5.00 6.40 -15 -6 9 -1.10 4.80 14 6 -9 17.30 5.90 -14 -6 9 13.50 4.90 13 6 -9 -0.10 4.70 -13 -6 9 -4.10 3.90 12 6 -9 28.90 5.60 -12 -6 9 17.70 4.60 11 6 -9 155.38 8.70 11 6 -9 150.18 11.70 -11 -6 9 145.19 11.10 10 6 -9 380.86 21.70 10 6 -9 377.76 19.60 -10 -6 9 372.66 19.60 -10 -6 9 323.27 21.00 9 6 -9 3.30 3.70 -9 -6 9 1.80 1.60 -9 -6 9 -5.00 3.10 8 6 -9 1178.38 59.19 -8 -6 9 1055.19 58.79 -8 -6 9 1067.59 57.89 7 6 -9 24.50 4.20 -7 -6 9 30.30 2.70 -7 -6 9 25.00 3.70 6 6 -9 341.77 17.60 -6 -6 9 256.47 16.90 -6 -6 9 298.57 16.30 5 6 -9 680.23 32.80 -5 -6 9 515.25 32.10 4 6 -9 496.45 26.90 -4 -6 9 474.65 26.40 -3 -6 9 455.05 24.80 -2 -6 9 682.63 36.60 -1 -6 9 2.60 2.30 0 -6 9 16.80 3.00 1 -6 9 840.82 45.10 2 -6 9 183.48 11.60 3 -6 9 458.15 25.60 4 -6 9 99.49 8.40 5 -6 9 22.50 4.50 6 -6 9 110.89 9.60 7 -6 9 96.69 9.70 8 -6 9 -0.70 4.60 9 -6 9 60.19 7.30 10 -6 9 67.29 8.00 11 -6 9 51.39 7.60 12 -6 9 143.79 14.10 16 5 -9 -2.50 6.60 -16 -5 9 7.80 5.50 15 5 -9 -2.00 6.30 -15 -5 9 0.40 5.00 14 5 -9 37.40 7.10 -14 -5 9 31.00 5.70 13 5 -9 129.19 11.20 -13 -5 9 110.69 10.60 12 5 -9 176.58 12.80 -12 -5 9 158.38 12.30 11 5 -9 93.29 9.30 -11 -5 9 98.19 8.90 10 5 -9 96.69 9.00 -10 -5 9 93.49 8.50 9 5 -9 4.20 3.40 -9 -5 9 1.10 3.20 8 5 -9 834.82 43.90 -8 -5 9 783.22 42.50 7 5 -9 387.56 21.20 -7 -5 9 359.16 19.70 -7 -5 9 361.26 20.90 6 5 -9 545.65 28.30 -6 -5 9 506.35 27.10 -6 -5 9 478.35 27.90 5 5 -9 28.80 3.70 -5 -5 9 19.90 3.30 -5 -5 9 29.70 3.00 4 5 -9 22.50 3.60 -4 -5 9 24.70 2.60 -4 -5 9 19.40 3.20 3 5 -9 327.17 19.30 -3 -5 9 347.37 18.80 -2 -5 9 603.14 32.40 -1 -5 9 176.88 10.60 0 -5 9 878.81 46.80 1 -5 9 545.55 29.60 2 -5 9 448.56 24.70 3 -5 9 506.05 27.80 4 -5 9 64.29 6.60 5 -5 9 178.68 11.80 6 -5 9 800.52 43.60 7 -5 9 296.27 18.10 8 -5 9 495.25 28.30 9 -5 9 11.80 5.00 10 -5 9 -1.10 5.00 11 -5 9 92.49 10.70 12 -5 9 183.58 18.10 12 -5 9 179.58 14.90 16 4 -9 25.30 7.40 -16 -4 9 14.20 6.30 15 4 -9 2.70 6.20 -15 -4 9 10.50 5.50 14 4 -9 76.79 8.40 -14 -4 9 70.59 7.60 13 4 -9 98.79 10.20 -13 -4 9 87.69 9.80 12 4 -9 163.68 12.20 -12 -4 9 152.28 12.10 11 4 -9 4.40 4.20 -11 -4 9 1.20 4.00 10 4 -9 83.79 8.20 -10 -4 9 82.09 8.10 9 4 -9 -5.70 3.40 -9 -4 9 -1.10 3.10 8 4 -9 486.95 27.50 -8 -4 9 494.35 27.40 7 4 -9 434.56 24.20 -7 -4 9 425.86 24.10 6 4 -9 322.27 17.80 -6 -4 9 296.37 17.60 -6 -4 9 306.17 16.40 5 4 -9 1238.48 61.89 -5 -4 9 1136.69 60.89 -5 -4 9 1103.99 61.59 4 4 -9 4.00 2.60 -4 -4 9 -1.70 2.30 -4 -4 9 3.60 1.50 3 4 -9 52.79 5.40 -3 -4 9 50.19 5.00 -3 -4 9 50.99 4.10 -2 -4 9 25.40 3.10 -1 -4 9 1080.59 57.19 0 -4 9 47.50 4.50 1 -4 9 104.89 7.00 2 -4 9 384.26 21.20 3 -4 9 19.50 3.00 4 -4 9 375.76 21.00 5 -4 9 97.49 7.80 6 -4 9 287.07 16.90 7 -4 9 13.40 3.80 8 -4 9 22.30 4.50 9 -4 9 388.86 22.70 10 -4 9 21.70 5.00 11 -4 9 56.09 6.60 11 -4 9 40.90 8.30 12 -4 9 1.60 5.00 12 -4 9 9.70 7.30 13 -4 9 5.40 5.70 13 -4 9 2.90 8.00 16 3 -9 31.50 7.70 -16 -3 9 22.30 6.50 15 3 -9 27.60 6.80 -15 -3 9 21.40 6.00 14 3 -9 5.00 5.50 -14 -3 9 4.70 4.80 13 3 -9 1.80 5.00 -13 -3 9 -1.00 4.50 12 3 -9 267.67 16.50 -12 -3 9 234.78 16.40 11 3 -9 47.10 5.90 -11 -3 9 42.90 5.60 10 3 -9 48.60 5.50 -10 -3 9 38.00 5.20 9 3 -9 181.38 11.40 -9 -3 9 153.78 11.40 8 3 -9 561.94 30.50 -8 -3 9 538.05 30.50 7 3 -9 187.48 11.50 -7 -3 9 174.98 11.60 6 3 -9 152.68 9.20 -6 -3 9 121.09 9.10 5 3 -9 1258.97 63.49 -5 -3 9 1161.38 62.49 -5 -3 9 1156.08 63.39 4 3 -9 6.70 2.60 -4 -3 9 6.70 1.30 -4 -3 9 -1.50 2.00 3 3 -9 5181.98 265.27 -3 -3 9 4917.71 264.97 -3 -3 9 5063.19 264.67 -2 -3 9 572.64 29.80 -2 -3 9 534.85 29.60 -1 -3 9 312.17 17.20 0 -3 9 174.88 10.20 1 -3 9 4.20 2.10 2 -3 9 120.19 7.60 3 -3 9 52.29 5.00 4 -3 9 325.57 18.20 5 -3 9 1623.34 85.89 6 -3 9 101.39 7.70 7 -3 9 2.50 3.10 8 -3 9 24.00 4.00 9 -3 9 65.29 7.50 10 -3 9 101.99 9.20 10 -3 9 89.59 10.20 11 -3 9 114.99 10.20 11 -3 9 116.29 13.60 12 -3 9 -3.20 7.00 12 -3 9 2.30 4.70 13 -3 9 -0.30 5.00 13 -3 9 5.20 7.70 16 2 -9 6.90 6.60 -16 -2 9 11.20 5.90 15 2 -9 8.60 6.00 -15 -2 9 9.00 5.70 14 2 -9 20.10 6.10 -14 -2 9 21.00 5.80 13 2 -9 28.80 5.70 -13 -2 9 23.00 5.60 12 2 -9 107.79 9.60 -12 -2 9 80.49 9.80 11 2 -9 91.39 9.00 -11 -2 9 81.69 9.20 10 2 -9 121.79 9.60 -10 -2 9 124.39 10.10 9 2 -9 300.77 17.80 -9 -2 9 301.27 18.10 8 2 -9 4.20 3.20 -8 -2 9 2.30 3.10 7 2 -9 296.87 16.70 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24.20 3.70 -8 -1 9 28.90 4.40 7 1 -9 0.70 2.50 -7 -1 9 1.20 2.90 6 1 -9 162.78 10.00 -6 -1 9 153.78 10.40 5 1 -9 220.08 12.60 -5 -1 9 207.88 12.90 4 1 -9 17.00 2.70 -4 -1 9 18.50 3.10 3 1 -9 287.77 16.10 -3 -1 9 272.97 16.10 -3 -1 9 277.47 15.20 -3 -1 9 296.27 15.20 2 1 -9 2.50 2.30 -2 -1 9 2.00 1.10 -2 -1 9 1.60 2.10 -1 -1 9 2684.03 141.09 0 -1 9 373.66 20.30 1 -1 9 5.90 1.80 2 -1 9 106.19 6.70 3 -1 9 714.83 38.00 4 -1 9 400.06 21.70 5 -1 9 423.96 23.00 6 -1 9 16.40 2.60 7 -1 9 229.08 15.20 7 -1 9 232.38 13.40 8 -1 9 153.68 9.90 8 -1 9 157.48 12.10 9 -1 9 102.79 10.70 9 -1 9 103.49 7.70 10 -1 9 126.39 12.20 10 -1 9 127.39 9.20 11 -1 9 195.18 12.50 11 -1 9 192.08 15.60 12 -1 9 74.09 7.70 12 -1 9 60.99 9.10 13 -1 9 22.50 7.00 13 -1 9 17.00 4.40 14 -1 9 0.20 7.30 14 -1 9 -4.10 4.20 15 -1 9 32.90 9.40 16 0 -9 2.20 6.60 -16 0 9 -4.70 6.20 15 0 -9 29.30 6.80 -15 0 9 23.70 6.70 14 0 -9 19.70 6.10 -14 0 9 16.00 6.00 13 0 -9 62.89 7.10 -13 0 9 66.69 7.70 12 0 -9 41.70 6.00 12 0 -9 42.50 3.60 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5 -14 32.10 7.30 -13 -5 14 15.70 6.20 12 5 -14 33.60 7.00 -12 -5 14 34.50 6.50 11 5 -14 0.50 5.60 -11 -5 14 -4.50 4.80 10 5 -14 -1.80 5.20 -10 -5 14 -7.90 4.50 9 5 -14 52.29 6.50 -9 -5 14 35.30 5.90 8 5 -14 189.08 12.70 -8 -5 14 128.19 11.80 7 5 -14 206.98 14.00 -7 -5 14 179.18 13.50 6 5 -14 1.40 4.80 -6 -5 14 2.20 4.20 -6 -5 14 7.90 2.00 -5 -5 14 49.70 6.10 -4 -5 14 34.00 5.30 -3 -5 14 35.50 5.00 -2 -5 14 -2.50 4.20 -1 -5 14 277.47 17.00 0 -5 14 116.39 9.80 1 -5 14 55.89 6.20 2 -5 14 97.29 9.30 3 -5 14 84.59 9.20 4 -5 14 8.40 4.80 5 -5 14 23.40 5.60 6 -5 14 240.78 16.40 7 -5 14 151.88 12.70 8 -5 14 50.99 7.10 8 -5 14 66.29 10.30 9 -5 14 4.10 8.40 9 -5 14 9.80 6.20 14 4 -14 2.70 7.00 -14 -4 14 8.10 6.20 13 4 -14 8.70 6.80 -13 -4 14 7.30 5.70 12 4 -14 57.79 7.90 -12 -4 14 53.69 7.60 11 4 -14 1.90 5.70 -11 -4 14 5.00 5.30 10 4 -14 13.60 5.60 -10 -4 14 7.50 5.20 9 4 -14 7.40 4.70 -9 -4 14 2.00 4.40 8 4 -14 0.90 4.50 -8 -4 14 -8.10 4.10 7 4 -14 3.60 4.20 -7 -4 14 -7.10 3.60 6 4 -14 32.60 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21 19.70 5.60 8 6 21 18.50 5.70 8 6 21 10.90 5.80 -6 7 21 -6.40 8.20 -5 7 21 -6.50 7.30 -4 7 21 -1.10 7.40 -3 7 21 13.70 7.40 -2 7 21 2.60 6.10 -1 7 21 -0.70 2.90 -1 7 21 0.10 5.80 0 7 21 48.90 7.50 0 7 21 58.89 6.40 1 7 21 5.90 4.00 1 7 21 10.50 6.00 2 7 21 0.30 5.20 2 7 21 -5.30 3.60 3 7 21 37.20 5.40 3 7 21 31.50 6.20 4 7 21 27.10 5.10 4 7 21 20.60 5.80 5 7 21 18.20 5.90 5 7 21 31.00 5.30 6 7 21 104.59 11.30 6 7 21 99.59 10.70 7 7 21 8.90 5.50 7 7 21 12.70 5.50 8 7 21 2.50 5.70 8 7 21 1.90 5.40 9 7 21 29.60 6.90 -5 8 21 4.60 8.10 -4 8 21 36.30 8.90 -3 8 21 2.60 7.10 -2 8 21 34.90 7.70 -1 8 21 31.20 7.60 -1 8 21 36.80 4.50 0 8 21 1.80 3.30 0 8 21 -4.70 6.00 1 8 21 36.20 6.80 1 8 21 35.50 4.90 2 8 21 116.09 9.90 2 8 21 115.19 12.20 3 8 21 21.80 6.10 3 8 21 21.40 4.80 4 8 21 33.10 5.60 4 8 21 37.70 6.60 5 8 21 26.20 5.40 5 8 21 34.20 6.50 6 8 21 9.90 5.60 6 8 21 16.30 5.30 7 8 21 26.90 6.20 7 8 21 26.60 6.30 8 8 21 29.30 6.30 8 8 21 26.10 6.50 9 8 21 2.80 6.10 9 8 21 12.80 5.90 -5 9 21 3.00 9.00 -4 9 21 324.17 24.40 -3 9 21 11.90 7.80 -2 9 21 80.19 10.30 -1 9 21 15.80 7.20 -1 9 21 10.90 3.70 0 9 21 21.60 7.00 0 9 21 30.50 4.40 1 9 21 17.80 6.80 1 9 21 25.00 4.60 2 9 21 12.30 6.60 2 9 21 23.90 4.60 3 9 21 138.89 13.50 3 9 21 139.59 11.20 4 9 21 23.80 5.10 4 9 21 22.40 6.20 5 9 21 88.49 11.80 5 9 21 127.99 10.90 6 9 21 30.20 5.90 6 9 21 25.30 6.30 7 9 21 3.70 5.50 7 9 21 -4.60 5.00 8 9 21 5.90 5.60 8 9 21 13.40 5.80 9 9 21 21.00 6.50 9 9 21 31.60 6.50 -4 10 21 6.70 8.50 -3 10 21 -5.40 7.60 -2 10 21 39.30 8.90 -1 10 21 112.89 9.10 -1 10 21 113.79 14.10 0 10 21 50.49 8.70 0 10 21 45.10 5.40 1 10 21 91.79 8.80 1 10 21 89.49 10.30 2 10 21 24.70 7.10 2 10 21 14.90 4.60 3 10 21 7.00 5.90 3 10 21 -0.70 4.10 4 10 21 0.00 4.60 4 10 21 6.50 5.70 5 10 21 31.50 6.70 5 10 21 45.40 6.50 6 10 21 55.39 7.80 6 10 21 57.49 7.10 7 10 21 47.20 7.20 7 10 21 50.49 7.10 8 10 21 21.30 6.30 8 10 21 20.80 6.20 9 10 21 5.60 5.90 9 10 21 7.70 6.00 -3 11 21 24.30 8.80 -2 11 21 8.90 8.20 -1 11 21 7.50 4.10 -1 11 21 -3.90 7.00 0 11 21 5.80 7.00 0 11 21 3.10 4.10 1 11 21 72.09 9.20 1 11 21 62.19 6.60 2 11 21 39.30 5.70 2 11 21 47.90 8.10 3 11 21 176.28 15.70 3 11 21 180.18 13.30 4 11 21 30.30 5.50 4 11 21 29.80 7.10 5 11 21 2.80 5.00 5 11 21 10.80 5.90 6 11 21 3.60 5.20 6 11 21 8.90 5.90 7 11 21 -9.70 5.10 7 11 21 7.50 5.70 8 11 21 37.10 6.80 8 11 21 28.20 6.70 9 11 21 71.49 8.50 -2 12 21 89.39 12.10 -1 12 21 0.50 4.10 -1 12 21 0.80 7.60 0 12 21 26.70 8.40 0 12 21 25.10 5.00 1 12 21 1.60 6.80 1 12 21 4.00 4.20 2 12 21 -3.30 6.70 2 12 21 10.80 4.80 3 12 21 31.30 7.50 3 12 21 25.90 5.50 4 12 21 7.30 5.20 4 12 21 14.50 6.80 5 12 21 34.20 6.20 5 12 21 29.10 7.00 6 12 21 5.60 6.30 6 12 21 15.30 5.70 7 12 21 40.10 7.40 7 12 21 44.00 6.90 8 12 21 3.40 6.10 8 12 21 -3.80 5.80 -1 13 21 -4.20 8.00 -1 13 21 -1.00 4.40 0 13 21 16.40 4.90 0 13 21 17.20 8.30 1 13 21 38.60 5.90 1 13 21 45.30 9.00 2 13 21 46.50 6.20 2 13 21 42.20 8.60 3 13 21 57.99 9.10 3 13 21 64.49 7.30 4 13 21 -7.90 4.90 4 13 21 -1.70 6.40 5 13 21 -4.50 6.40 5 13 21 2.40 5.20 6 13 21 26.80 7.20 6 13 21 35.90 6.60 7 13 21 62.79 7.80 7 13 21 45.80 7.90 8 13 21 49.40 7.90 8 13 21 64.89 8.30 0 14 21 16.90 5.30 1 14 21 11.80 8.10 1 14 21 0.30 4.80 2 14 21 8.20 7.50 2 14 21 9.30 5.30 3 14 21 6.30 7.00 3 14 21 2.30 5.40 4 14 21 49.50 7.30 4 14 21 55.89 8.70 5 14 21 4.20 6.90 5 14 21 -4.80 5.60 6 14 21 22.70 7.20 6 14 21 20.20 6.50 7 14 21 3.80 6.60 7 14 21 0.20 6.10 3 15 21 7.00 5.80 4 15 21 8.80 7.60 4 15 21 10.90 6.10 -3 -1 22 22.60 7.60 -2 -1 22 49.80 8.90 -1 -1 22 62.89 9.20 0 -1 22 5.80 7.30 1 -1 22 1.80 5.00 -4 0 22 26.10 7.50 -3 0 22 5.10 7.00 -2 0 22 29.70 8.00 -1 0 22 9.20 6.60 0 0 22 9.80 6.70 1 0 22 38.40 5.70 1 0 22 33.40 7.90 2 0 22 -2.70 6.50 2 0 22 -2.70 4.80 -5 1 22 10.00 8.00 -4 1 22 4.50 7.40 -3 1 22 71.09 9.20 -2 1 22 22.50 7.30 -1 1 22 27.00 7.30 0 1 22 -4.20 6.20 0 1 22 2.30 4.30 1 1 22 8.40 6.60 1 1 22 2.90 4.50 2 1 22 3.40 4.80 2 1 22 -3.70 6.00 3 1 22 16.50 6.50 3 1 22 16.20 5.40 -5 2 22 88.09 10.60 -4 2 22 9.30 7.10 -3 2 22 -3.50 6.70 -2 2 22 -6.10 6.10 -1 2 22 65.19 8.80 0 2 22 15.40 4.00 0 2 22 16.70 6.60 1 2 22 63.69 8.20 1 2 22 70.99 8.60 2 2 22 4.50 4.60 2 2 22 -1.10 5.80 3 2 22 -7.00 5.70 3 2 22 2.50 4.90 4 2 22 24.90 6.90 4 2 22 23.60 5.60 -5 3 22 31.50 8.70 -4 3 22 16.20 7.70 -3 3 22 114.19 13.90 -2 3 22 26.00 7.40 -1 3 22 15.70 6.90 0 3 22 2.70 3.60 0 3 22 -1.20 5.90 1 3 22 28.00 4.90 1 3 22 38.80 7.20 2 3 22 9.50 4.60 2 3 22 13.20 6.00 3 3 22 106.79 12.50 3 3 22 123.29 10.80 4 3 22 10.70 5.90 4 3 22 5.70 5.20 5 3 22 140.69 12.60 5 3 22 120.99 13.00 -5 4 22 7.50 8.00 -4 4 22 -3.50 7.10 -3 4 22 -7.30 6.10 -2 4 22 32.50 7.60 -1 4 22 3.00 6.50 0 4 22 65.39 7.10 0 4 22 72.99 9.00 1 4 22 12.00 6.00 1 4 22 9.50 4.20 2 4 22 8.90 4.50 2 4 22 8.60 6.20 3 4 22 7.10 5.90 3 4 22 12.50 4.70 4 4 22 8.60 4.70 4 4 22 0.00 5.40 5 4 22 76.99 8.50 5 4 22 86.39 10.10 6 4 22 10.90 6.20 6 4 22 11.60 5.90 -5 5 22 29.60 9.20 -4 5 22 7.60 7.50 -3 5 22 65.69 9.60 -2 5 22 -2.70 6.10 -1 5 22 2.30 6.20 0 5 22 31.80 6.90 0 5 22 38.80 4.60 1 5 22 20.60 4.60 1 5 22 15.60 6.50 2 5 22 79.79 8.80 2 5 22 78.99 8.70 3 5 22 38.60 5.70 3 5 22 30.40 6.70 4 5 22 6.40 5.80 4 5 22 8.90 4.70 5 5 22 2.60 4.80 5 5 22 8.40 5.60 6 5 22 2.70 5.70 6 5 22 8.40 5.60 -5 6 22 2.20 8.60 -4 6 22 -1.80 7.10 -3 6 22 -8.30 7.10 -2 6 22 -3.70 6.80 -1 6 22 19.70 7.10 0 6 22 7.40 6.20 0 6 22 1.70 3.20 1 6 22 -4.80 3.80 1 6 22 -4.60 5.40 2 6 22 -6.60 4.20 2 6 22 -2.90 5.60 3 6 22 25.10 4.90 3 6 22 10.20 6.20 4 6 22 21.40 6.20 4 6 22 25.90 5.10 5 6 22 74.79 8.10 5 6 22 85.59 11.10 6 6 22 9.90 5.80 6 6 22 10.70 5.30 7 6 22 65.59 8.10 7 6 22 74.99 8.20 -4 7 22 -1.20 8.00 -3 7 22 9.70 7.70 -2 7 22 32.10 7.80 -1 7 22 15.20 7.00 0 7 22 48.60 8.00 0 7 22 39.60 4.80 1 7 22 0.30 5.70 1 7 22 1.20 3.90 2 7 22 117.39 12.50 2 7 22 127.99 10.40 3 7 22 10.10 4.70 3 7 22 11.10 6.10 4 7 22 1.00 4.30 4 7 22 4.00 5.60 5 7 22 -1.40 4.90 5 7 22 1.90 5.70 6 7 22 33.10 6.40 6 7 22 44.10 7.20 7 7 22 5.70 5.80 7 7 22 13.80 6.20 -4 8 22 5.20 8.40 -3 8 22 21.80 8.20 -2 8 22 9.30 7.50 -1 8 22 119.09 14.50 0 8 22 39.30 8.10 0 8 22 36.50 4.70 1 8 22 33.10 7.30 1 8 22 26.20 4.70 2 8 22 52.09 7.90 2 8 22 60.89 6.30 3 8 22 -2.30 5.70 3 8 22 -5.60 4.20 4 8 22 161.68 14.20 4 8 22 172.08 12.90 5 8 22 16.80 6.10 5 8 22 21.20 5.50 6 8 22 14.80 5.50 6 8 22 14.50 6.50 7 8 22 -0.50 5.30 7 8 22 1.90 5.80 -3 9 22 0.10 8.60 -2 9 22 -1.00 7.50 -1 9 22 10.60 7.10 0 9 22 13.60 4.20 0 9 22 30.10 7.90 1 9 22 83.29 10.10 1 9 22 81.99 8.70 2 9 22 18.50 7.10 2 9 22 19.90 4.80 3 9 22 18.20 5.10 3 9 22 19.70 6.70 4 9 22 5.70 4.80 4 9 22 13.10 6.40 5 9 22 28.40 5.80 5 9 22 28.00 6.80 6 9 22 125.19 13.40 6 9 22 120.69 11.80 7 9 22 32.10 6.90 7 9 22 25.30 6.20 -2 10 22 -7.00 8.10 -1 10 22 23.20 8.20 0 10 22 19.40 4.60 0 10 22 24.50 7.60 1 10 22 22.30 4.70 1 10 22 18.60 7.20 2 10 22 127.59 14.30 2 10 22 115.49 10.40 3 10 22 29.10 5.60 3 10 22 45.40 7.70 4 10 22 110.09 11.00 4 10 22 107.79 12.90 5 10 22 26.00 5.80 5 10 22 21.20 6.80 6 10 22 -2.70 5.10 6 10 22 5.50 6.30 7 10 22 26.00 6.80 7 10 22 21.80 6.20 -1 11 22 22.30 8.40 0 11 22 12.10 4.60 0 11 22 10.80 7.90 1 11 22 5.80 4.40 1 11 22 3.80 7.10 2 11 22 28.20 5.40 2 11 22 22.10 7.60 3 11 22 3.30 6.30 3 11 22 -1.80 4.70 4 11 22 14.90 5.20 4 11 22 3.00 7.00 5 11 22 21.00 5.70 5 11 22 14.70 6.80 6 11 22 57.79 8.10 6 11 22 46.70 7.10 7 11 22 3.90 5.70 0 12 22 21.40 5.10 0 12 22 21.40 8.40 1 12 22 5.90 7.40 1 12 22 12.70 4.80 2 12 22 22.00 5.20 2 12 22 18.20 7.90 3 12 22 35.80 6.00 3 12 22 44.80 8.40 4 12 22 16.20 5.60 4 12 22 8.00 7.00 5 12 22 8.30 6.90 5 12 22 7.10 5.50 6 12 22 5.10 5.60 6 12 22 10.20 7.00 2 13 22 11.10 8.00 2 13 22 21.80 5.70 3 13 22 18.40 5.30 3 13 22 9.30 7.50 4 13 22 7.40 7.30 4 13 22 20.50 5.90 5 13 22 26.50 6.50 -1 2 23 20.50 7.60 0 2 23 0.30 6.50 -2 3 23 46.90 8.90 -1 3 23 42.90 8.10 0 3 23 33.60 7.80 1 3 23 25.90 7.20 2 3 23 16.20 7.00 2 3 23 19.80 5.10 -3 4 23 11.10 7.50 -2 4 23 14.80 7.10 -1 4 23 31.70 7.70 0 4 23 9.00 6.80 1 4 23 46.70 8.10 1 4 23 34.10 5.70 2 4 23 -3.60 5.70 2 4 23 2.80 4.50 3 4 23 4.10 4.80 3 4 23 6.40 6.10 -3 5 23 40.00 8.70 -2 5 23 18.50 7.60 -1 5 23 21.80 7.40 0 5 23 12.10 7.00 1 5 23 7.10 6.40 1 5 23 3.80 4.00 2 5 23 11.00 4.70 2 5 23 5.30 6.40 3 5 23 44.20 7.50 3 5 23 44.30 6.20 4 5 23 14.40 6.20 4 5 23 11.70 5.50 -2 6 23 2.00 6.90 -1 6 23 29.10 7.90 0 6 23 -4.80 6.50 1 6 23 18.50 4.50 1 6 23 15.80 6.90 2 6 23 7.60 4.60 2 6 23 0.20 6.00 3 6 23 10.20 4.90 3 6 23 3.20 6.20 4 6 23 2.30 5.00 4 6 23 -0.50 6.00 -2 7 23 37.00 9.00 -1 7 23 11.40 7.70 0 7 23 -4.00 6.50 1 7 23 29.10 7.40 1 7 23 19.80 4.50 2 7 23 10.00 6.50 2 7 23 -2.50 4.20 3 7 23 74.39 9.20 3 7 23 52.19 8.40 4 7 23 17.00 6.60 4 7 23 16.50 5.40 -1 8 23 -0.90 7.40 0 8 23 22.30 7.60 1 8 23 7.40 4.20 1 8 23 3.70 7.00 2 8 23 35.30 8.20 2 8 23 44.70 5.80 3 8 23 -0.60 6.10 3 8 23 -4.60 4.50 4 8 23 2.50 6.30 4 8 23 1.10 4.90 0 9 23 8.30 7.70 1 9 23 22.90 4.90 1 9 23 23.60 8.10 2 9 23 50.79 9.00 2 9 23 64.49 6.60 3 9 23 78.79 9.60 3 9 23 64.09 9.10 4 9 23 4.40 5.00 4 9 23 14.40 6.80 1 10 23 3.20 7.30 1 10 23 -0.30 4.20 2 10 23 2.80 4.90 2 10 23 2.10 6.90 3 10 23 -2.60 4.70 3 10 23 5.20 6.80 4 10 23 17.60 5.50 _computing_structure_solution 'SHELXT 2014/4 (Sheldrick, 2014)' ; _shelx_hkl_checksum 97851 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 As1 As 0.92864(3) 0.69960(2) 0.21288(2) 0.03364(11) Uani 0.95 1 d . . P A 1 B1 B 0.4302(2) 0.76754(19) 0.72770(16) 0.0317(6) Uani 1 1 d . . . B 1 C1 C 0.9097(2) 0.59172(17) 0.27008(14) 0.0341(6) Uani 1 1 d . U . A 1 C2 C 0.8812(2) 0.58795(19) 0.34599(16) 0.0445(7) Uani 1 1 d . U . A 1 C3 C 0.8651(2) 0.5119(2) 0.38920(18) 0.0578(9) Uani 1 1 d . U . A 1 H3 H 0.8468 0.5078 0.4397 0.069 Uiso 1 1 calc R U . A 1 C4 C 0.8751(3) 0.4422(2) 0.3604(2) 0.0617(10) Uani 1 1 d . U . A 1 C5 C 0.9022(2) 0.4489(2) 0.2846(2) 0.0536(8) Uani 1 1 d . U . A 1 H5 H 0.9082 0.4021 0.2647 0.064 Uiso 1 1 calc R U . A 1 C6 C 0.9206(2) 0.52239(18) 0.23770(16) 0.0396(6) Uani 1 1 d . U . A 1 C7 C 0.8663(3) 0.6629(2) 0.38167(18) 0.0583(9) Uani 1 1 d . U . A 1 H7 H 0.8708 0.7138 0.3403 0.070 Uiso 1 1 calc R U . A 1 C8 C 0.7628(4) 0.6941(3) 0.4124(3) 0.1011(17) Uani 1 1 d . U . A 1 H8A H 0.7126 0.7096 0.3723 0.152 Uiso 1 1 calc R U . A 1 H8B H 0.7537 0.7456 0.4293 0.152 Uiso 1 1 calc R U . A 1 H8C H 0.7568 0.6469 0.4551 0.152 Uiso 1 1 calc R U . A 1 C9 C 0.9476(4) 0.6384(4) 0.4432(3) 0.110(2) Uani 1 1 d . U . A 1 H9A H 0.9471 0.5871 0.4840 0.165 Uiso 1 1 calc R U . A 1 H9B H 0.9357 0.6878 0.4636 0.165 Uiso 1 1 calc R U . A 1 H9C H 1.0116 0.6246 0.4211 0.165 Uiso 1 1 calc R U . A 1 C10 C 0.8654(5) 0.3615(4) 0.4189(4) 0.0455(15) Uani 0.6 1 d . U P A 1 H10 H 0.8594 0.3672 0.4713 0.055 Uiso 1 1 d R U . A 1 C11 C 0.7687(5) 0.3579(4) 0.3917(5) 0.093(2) Uani 0.7 1 d . U P A 1 H11A H 0.7755 0.3493 0.3413 0.140 Uiso 1 1 calc R U . A 1 H11B H 0.7144 0.4131 0.3894 0.140 Uiso 1 1 calc R U . A 1 H11C H 0.7550 0.3092 0.4272 0.140 Uiso 1 1 calc R U . A 1 C12 C 0.9454(3) 0.2750(2) 0.4173(2) 0.0689(10) Uani 1 1 d . U . A 1 H12A H 0.9270 0.2261 0.4472 0.103 Uiso 1 1 calc R U . A 1 H12B H 1.0076 0.2705 0.4388 0.103 Uiso 1 1 calc R U . A 1 H12C H 0.9530 0.2727 0.3650 0.103 Uiso 1 1 calc R U . A 1 C13 C 0.9502(2) 0.52518(19) 0.15563(17) 0.0432(7) Uani 1 1 d . U . A 1 H13 H 0.9732 0.5753 0.1362 0.052 Uiso 1 1 calc R U . A 1 C14 C 0.8603(3) 0.5437(3) 0.1029(2) 0.0662(10) Uani 1 1 d . U . A 1 H14A H 0.8356 0.4957 0.1203 0.099 Uiso 1 1 calc R U . A 1 H14B H 0.8803 0.5480 0.0510 0.099 Uiso 1 1 calc R U . A 1 H14C H 0.8083 0.5989 0.1041 0.099 Uiso 1 1 calc R U . A 1 C15 C 1.0375(3) 0.4400(2) 0.1524(2) 0.0567(8) Uani 1 1 d . U . A 1 H15A H 1.0921 0.4294 0.1870 0.085 Uiso 1 1 calc R U . A 1 H15B H 1.0591 0.4472 0.1008 0.085 Uiso 1 1 calc R U . A 1 H15C H 1.0158 0.3900 0.1674 0.085 Uiso 1 1 calc R U . A 1 C16 C 1.0440(2) 0.71795(19) 0.24301(17) 0.0419(6) Uani 1 1 d . U . A 1 C17 C 1.0267(3) 0.8048(2) 0.2468(2) 0.0606(9) Uani 1 1 d . U . A 1 C18 C 1.1078(3) 0.8194(3) 0.2717(2) 0.0716(11) Uani 1 1 d . U . A 1 H18 H 1.0987 0.8763 0.2742 0.086 Uiso 1 1 calc R U . A 1 C19 C 1.2016(3) 0.7524(3) 0.2929(2) 0.0636(9) Uani 1 1 d . U . A 1 C20 C 1.2140(2) 0.6688(3) 0.28905(19) 0.0568(8) Uani 1 1 d . U . A 1 H20 H 1.2765 0.6234 0.3039 0.068 Uiso 1 1 calc R U . A 1 C21 C 1.1378(2) 0.6487(2) 0.26410(16) 0.0438(7) Uani 1 1 d . U . A 1 C22 C 0.9257(3) 0.8801(3) 0.2279(3) 0.0944(16) Uani 1 1 d . U . A 1 H22 H 0.8793 0.8571 0.2111 0.113 Uiso 1 1 calc R U . A 1 C23 C 0.8842(4) 0.9098(4) 0.2988(5) 0.132(2) Uani 1 1 d . U . A 1 H23A H 0.8842 0.8588 0.3401 0.197 Uiso 1 1 calc R U . A 1 H23B H 0.8169 0.9525 0.2862 0.197 Uiso 1 1 calc R U . A 1 H23C H 0.9253 0.9369 0.3146 0.197 Uiso 1 1 calc R U . A 1 C24 C 0.9296(5) 0.9580(3) 0.1614(4) 0.139(3) Uani 1 1 d . U . A 1 H24A H 0.9807 0.9775 0.1734 0.208 Uiso 1 1 calc R U . A 1 H24B H 0.8659 1.0064 0.1532 0.208 Uiso 1 1 calc R U . A 1 H24C H 0.9447 0.9394 0.1154 0.208 Uiso 1 1 calc R U . A 1 C25 C 1.2892(4) 0.7704(4) 0.3192(3) 0.0925(14) Uani 1 1 d . U . A 1 H25 H 1.3392 0.7108 0.3430 0.111 Uiso 1 1 calc R U . A 1 C26 C 1.2679(5) 0.8115(8) 0.3789(5) 0.215(5) Uani 1 1 d . U . A 1 H26A H 1.3282 0.8142 0.3969 0.323 Uiso 1 1 calc R U . A 1 H26B H 1.2416 0.7774 0.4207 0.323 Uiso 1 1 calc R U . A 1 H26C H 1.2192 0.8711 0.3597 0.323 Uiso 1 1 calc R U . A 1 C27 C 1.3379(5) 0.8104(5) 0.2529(4) 0.145(3) Uani 1 1 d . U . A 1 H27A H 1.2956 0.8714 0.2291 0.218 Uiso 1 1 calc R U . A 1 H27B H 1.3488 0.7773 0.2159 0.218 Uiso 1 1 calc R U . A 1 H27C H 1.4010 0.8084 0.2704 0.218 Uiso 1 1 calc R U . A 1 C28 C 1.1595(2) 0.5541(2) 0.26033(19) 0.0510(7) Uani 1 1 d . U . A 1 H28 H 1.1017 0.5557 0.2324 0.061 Uiso 1 1 calc R U . A 1 C29 C 1.1693(3) 0.4890(3) 0.3407(2) 0.0810(12) Uani 1 1 d . U . A 1 H29A H 1.2250 0.4863 0.3699 0.122 Uiso 1 1 calc R U . A 1 H29B H 1.1802 0.4306 0.3364 0.122 Uiso 1 1 calc R U . A 1 H29C H 1.1089 0.5090 0.3664 0.122 Uiso 1 1 calc R U . A 1 C30 C 1.2520(3) 0.5213(3) 0.2151(2) 0.0697(10) Uani 1 1 d . U . A 1 H30A H 1.2476 0.5666 0.1673 0.105 Uiso 1 1 calc R U . A 1 H30B H 1.2548 0.4676 0.2046 0.105 Uiso 1 1 calc R U . A 1 H30C H 1.3114 0.5093 0.2452 0.105 Uiso 1 1 calc R U . A 1 C31 C 0.8736(2) 0.75384(17) 0.10837(15) 0.0347(6) Uani 1 1 d . U . A 1 C32 C 0.7683(2) 0.79553(17) 0.09955(16) 0.0387(6) Uani 1 1 d . U . A 1 C33 C 0.7254(2) 0.8310(2) 0.02437(18) 0.0495(7) Uani 1 1 d . U . A 1 H33 H 0.6560 0.8576 0.0168 0.059 Uiso 1 1 calc R U . A 1 C34 C 0.7816(2) 0.8281(2) -0.03955(18) 0.0539(8) Uani 1 1 d . U . A 1 C35 C 0.8851(2) 0.7895(2) -0.02819(17) 0.0509(8) Uani 1 1 d . U . A 1 H35 H 0.9233 0.7889 -0.0711 0.061 Uiso 1 1 calc R U . A 1 C36 C 0.9336(2) 0.75182(19) 0.04488(16) 0.0405(6) Uani 1 1 d . U . A 1 C37 C 0.7007(2) 0.8043(2) 0.16573(18) 0.0503(7) Uani 1 1 d . U . A 1 H37 H 0.7442 0.7770 0.2133 0.060 Uiso 1 1 calc R U . A 1 C38 C 0.6434(4) 0.9005(3) 0.1622(3) 0.0855(13) Uani 1 1 d . U . A 1 H38A H 0.6896 0.9302 0.1616 0.128 Uiso 1 1 calc R U . A 1 H38B H 0.6045 0.9030 0.2067 0.128 Uiso 1 1 calc R U . A 1 H38C H 0.5995 0.9296 0.1162 0.128 Uiso 1 1 calc R U . A 1 C39 C 0.6311(3) 0.7534(3) 0.1718(3) 0.0879(14) Uani 1 1 d . U . A 1 H39A H 0.5892 0.7613 0.2140 0.132 Uiso 1 1 calc R U . A 1 H39B H 0.6700 0.6909 0.1805 0.132 Uiso 1 1 calc R U . A 1 H39C H 0.5900 0.7757 0.1246 0.132 Uiso 1 1 calc R U . A 1 C40 C 0.7271(13) 0.8782(10) -0.1191(9) 0.053(4) Uani 0.50(2) 1 d . U P A 1 H40 H 0.7763 0.8881 -0.1565 0.064 Uiso 1 1 calc R U . A 1 C41 C 0.6926(13) 0.7954(12) -0.1321(7) 0.110(5) Uani 0.50(2) 1 d . U P A 1 H41A H 0.6476 0.7824 -0.0936 0.166 Uiso 1 1 calc R U . A 1 H41B H 0.7511 0.7425 -0.1274 0.166 Uiso 1 1 calc R U . A 1 H41C H 0.6597 0.8149 -0.1825 0.166 Uiso 1 1 calc R U . A 1 C42 C 0.6462(11) 0.9558(8) -0.1314(6) 0.114(6) Uani 0.50(2) 1 d . U P A 1 H42A H 0.5901 0.9433 -0.1070 0.171 Uiso 1 1 calc R U . A 1 H42B H 0.6299 0.9828 -0.1858 0.171 Uiso 1 1 calc R U . A 1 H42C H 0.6613 0.9961 -0.1099 0.171 Uiso 1 1 calc R U . A 1 C43 C 1.0475(2) 0.7085(2) 0.05316(18) 0.0486(7) Uani 1 1 d . U . A 1 H43 H 1.0662 0.6713 0.1068 0.058 Uiso 1 1 calc R U . A 1 C44 C 1.0950(3) 0.7802(3) 0.0386(2) 0.0716(11) Uani 1 1 d . U . A 1 H44A H 1.1666 0.7516 0.0455 0.107 Uiso 1 1 calc R U . A 1 H44B H 1.0714 0.8145 0.0744 0.107 Uiso 1 1 calc R U . A 1 H44C H 1.0765 0.8190 -0.0132 0.107 Uiso 1 1 calc R U . A 1 C45 C 1.0893(3) 0.6476(3) 0.0019(2) 0.0644(9) Uani 1 1 d . U . A 1 H45A H 1.0589 0.6033 0.0125 0.097 Uiso 1 1 calc R U . A 1 H45B H 1.1605 0.6184 0.0123 0.097 Uiso 1 1 calc R U . A 1 H45C H 1.0748 0.6825 -0.0513 0.097 Uiso 1 1 calc R U . A 1 C46 C 0.49789(19) 0.82811(17) 0.69068(14) 0.0309(5) Uani 1 1 d . U . B 1 C47 C 0.4596(2) 0.92176(17) 0.66692(16) 0.0374(6) Uani 1 1 d . U . B 1 H47 H 0.3921 0.9519 0.6719 0.045 Uiso 1 1 calc R U . B 1 C48 C 0.5191(2) 0.97120(18) 0.63616(18) 0.0426(6) Uani 1 1 d . U . B 1 C49 C 0.6204(2) 0.92945(19) 0.62977(17) 0.0434(7) Uani 1 1 d . U . B 1 H49 H 0.6601 0.9627 0.6092 0.052 Uiso 1 1 calc R U . B 1 C50 C 0.6612(2) 0.83718(19) 0.65475(17) 0.0415(6) Uani 1 1 d . U . B 1 C51 C 0.6006(2) 0.78810(17) 0.68394(15) 0.0360(6) Uani 1 1 d . U . B 1 H51 H 0.6298 0.7260 0.6996 0.043 Uiso 1 1 calc R U . B 1 C52 C 0.4738(3) 1.0712(2) 0.6079(3) 0.0639(10) Uani 1 1 d . U . B 1 C53 C 0.7701(3) 0.7903(2) 0.6472(3) 0.0640(10) Uani 1 1 d . U . B 1 C54 C 0.46110(19) 0.67966(17) 0.69585(14) 0.0330(5) Uani 1 1 d . U . B 1 C55 C 0.4955(2) 0.6817(2) 0.62239(16) 0.0433(7) Uani 1 1 d . U . B 1 H55 H 0.5069 0.7324 0.5928 0.052 Uiso 1 1 calc R U . B 1 C56 C 0.5133(3) 0.6109(2) 0.59164(17) 0.0499(8) Uani 1 1 d . U . B 1 C57 C 0.4978(3) 0.5343(2) 0.63398(17) 0.0498(8) Uani 1 1 d . U . B 1 H57 H 0.5111 0.4862 0.6141 0.060 Uiso 1 1 calc R U . B 1 C58 C 0.4620(2) 0.53080(19) 0.70647(16) 0.0421(6) Uani 1 1 d . U . B 1 C59 C 0.4433(2) 0.60228(18) 0.73615(15) 0.0363(6) Uani 1 1 d . U . B 1 H59 H 0.4180 0.5986 0.7847 0.044 Uiso 1 1 calc R U . B 1 C60 C 0.5434(4) 0.6185(3) 0.5107(2) 0.0749(12) Uani 1 1 d . U . B 1 C61 C 0.4421(3) 0.4498(2) 0.75248(19) 0.0555(8) Uani 1 1 d . U . B 1 C62 C 0.31118(19) 0.82101(17) 0.69896(14) 0.0316(5) Uani 1 1 d . U . B 1 C63 C 0.2835(2) 0.8725(2) 0.62235(16) 0.0454(7) Uani 1 1 d . U . B 1 H63 H 0.3334 0.8809 0.5897 0.055 Uiso 1 1 calc R U . B 1 C64 C 0.1848(2) 0.9116(2) 0.59289(17) 0.0524(8) Uani 1 1 d . U . B 1 C65 C 0.1082(2) 0.9009(2) 0.64008(17) 0.0449(7) Uani 1 1 d . U . B 1 H65 H 0.0416 0.9281 0.6210 0.054 Uiso 1 1 calc R U . B 1 C66 C 0.13322(19) 0.84927(17) 0.71547(15) 0.0339(6) Uani 1 1 d . U . B 1 C67 C 0.23282(19) 0.80986(16) 0.74413(14) 0.0312(5) Uani 1 1 d . U . B 1 H67 H 0.2477 0.7748 0.7953 0.037 Uiso 1 1 calc R U . B 1 C68 C 0.1606(3) 0.9622(4) 0.5098(4) 0.0491(12) Uani 0.774(5) 1 d . U P B 1 C69 C 0.0536(2) 0.8336(2) 0.76693(17) 0.0455(7) Uani 1 1 d . U . B 1 C70 C 0.45012(18) 0.74002(17) 0.82143(14) 0.0312(5) Uani 1 1 d . U . B 1 C71 C 0.40070(19) 0.79861(18) 0.86436(15) 0.0342(6) Uani 1 1 d . U . B 1 H71 H 0.3524 0.8538 0.8391 0.041 Uiso 1 1 calc R U . B 1 C72 C 0.4212(2) 0.77733(19) 0.94365(15) 0.0373(6) Uani 1 1 d . U . B 1 C73 C 0.4922(2) 0.6960(2) 0.98311(15) 0.0407(6) Uani 1 1 d . U . B 1 H73 H 0.5053 0.6812 1.0361 0.049 Uiso 1 1 calc R U . B 1 C74 C 0.5433(2) 0.63702(19) 0.94215(15) 0.0405(6) Uani 1 1 d . U . B 1 C75 C 0.52275(19) 0.65947(18) 0.86293(15) 0.0357(6) Uani 1 1 d . U . B 1 H75 H 0.5590 0.6190 0.8366 0.043 Uiso 1 1 calc R U . B 1 C76 C 0.3683(2) 0.8423(2) 0.98692(18) 0.0502(8) Uani 1 1 d . U . B 1 C77 C 0.6234(3) 0.5499(2) 0.98086(19) 0.0612(9) Uani 1 1 d . U . B 1 C10' C 0.8371(8) 0.3575(6) 0.3891(6) 0.047(2) Uani 0.4 1 d . U P C 2 F8' F 0.6067(17) 0.5664(17) 0.5077(13) 0.025(5) Uani 0.106(7) 1 d . U P D 2 C40' C 0.7380(13) 0.8504(11) -0.1235(11) 0.060(4) Uani 0.50(2) 1 d . U P A 2 C41' C 0.6391(12) 0.8457(12) -0.1313(7) 0.095(5) Uani 0.50(2) 1 d . U P A 2 C42' C 0.7219(15) 0.9588(9) -0.1550(8) 0.120(6) Uani 0.50(2) 1 d . U P A 2 F1 F 0.3873(5) 1.1004(3) 0.5674(5) 0.0993(17) Uani 0.6 1 d . U P B 1 F2 F 0.4846(11) 1.1103(7) 0.6546(6) 0.079(3) Uani 0.5 1 d . U P B 1 F3 F 0.5290(6) 1.1046(5) 0.5481(6) 0.098(4) Uani 0.5 1 d . U P B 1 F4 F 0.8243(2) 0.8406(2) 0.6481(3) 0.0858(14) Uani 0.844(11) 1 d . U P B 1 F5 F 0.7895(3) 0.7619(5) 0.5871(3) 0.115(2) Uani 0.844(11) 1 d . U P B 1 F6 F 0.8118(2) 0.7183(2) 0.7079(4) 0.0999(19) Uani 0.844(11) 1 d . U P B 1 F7 F 0.5497(3) 0.69593(17) 0.47282(14) 0.0850(14) Uani 0.894(7) 1 d . U P B 1 F8 F 0.6312(4) 0.5504(4) 0.5083(3) 0.116(2) Uani 0.894(7) 1 d . U P B 1 F9 F 0.4759(3) 0.6105(2) 0.46689(13) 0.1131(11) Uani 1 1 d . U . B 1 F10 F 0.4475(4) 0.3936(4) 0.7117(4) 0.089(2) Uani 0.8 1 d . U P B 1 F11 F 0.5109(2) 0.39929(15) 0.80915(14) 0.0895(7) Uani 1 1 d . U . B 1 F12 F 0.35590(18) 0.46989(14) 0.78642(13) 0.0741(6) Uani 1 1 d . U . B 1 F13 F 0.2408(2) 0.9572(2) 0.46759(14) 0.0711(10) Uani 0.774(5) 1 d . U P B 1 F14 F 0.10098(18) 0.9386(2) 0.47304(13) 0.0618(9) Uani 0.774(5) 1 d . U P B 1 F15 F 0.1113(4) 1.0495(3) 0.5032(2) 0.0794(14) Uani 0.774(5) 1 d . U P B 1 F16 F -0.0391(6) 0.9003(10) 0.7437(7) 0.072(3) Uani 0.67(5) 1 d . U P B 1 F17 F 0.0416(14) 0.7594(11) 0.7757(10) 0.071(3) Uani 0.67(5) 1 d . U P B 1 F18 F 0.06462(16) 0.84134(15) 0.83664(11) 0.0667(6) Uani 1 1 d . U . B 1 F19 F 0.2830(2) 0.9041(3) 0.95245(19) 0.0938(17) Uani 0.891(8) 1 d . U P B 1 F20 F 0.3474(4) 0.8043(2) 1.05735(17) 0.0916(14) Uani 0.891(8) 1 d . U P B 1 F21 F 0.4231(3) 0.8883(3) 0.9976(3) 0.0937(14) Uani 0.891(8) 1 d . U P B 1 F22 F 0.61879(18) 0.48186(14) 0.95915(13) 0.0789(6) Uani 1 1 d . U . B 1 F23 F 0.71505(17) 0.55030(18) 0.96125(18) 0.0980(8) Uani 1 1 d . U . B 1 F24 F 0.6318(3) 0.5305(2) 1.05566(16) 0.0899(12) Uani 0.8 1 d . U P B 1 F1' F 0.3746(6) 1.1017(4) 0.6331(9) 0.096(3) Uani 0.4 1 d . U P E 2 F2' F 0.5224(13) 1.1080(12) 0.6408(13) 0.136(7) Uani 0.4 1 d . U P F 2 F3' F 0.4756(11) 1.1056(6) 0.5412(5) 0.097(4) Uani 0.4 1 d . U P G 2 F4' F 0.8266(17) 0.794(3) 0.687(2) 0.125(10) Uani 0.156(11) 1 d . U P B 2 F5' F 0.7883(13) 0.8263(15) 0.5695(12) 0.097(8) Uani 0.156(11) 1 d . U P B 2 F6' F 0.7935(14) 0.7098(13) 0.6525(19) 0.092(8) Uani 0.156(11) 1 d . U P B 2 F7' F 0.648(2) 0.634(2) 0.5128(16) 0.102(11) Uani 0.106(7) 1 d . U P D 2 F10' F 0.4013(13) 0.4176(14) 0.7069(13) 0.056(4) Uani 0.2 1 d . U P H 2 F13' F 0.1903(10) 1.0656(8) 0.5207(7) 0.110(5) Uani 0.226(5) 1 d . U P B 2 F14' F 0.1553(16) 0.9825(13) 0.4678(8) 0.106(6) Uani 0.226(5) 1 d . U P B 2 F15' F 0.0469(13) 1.0615(10) 0.5171(8) 0.096(4) Uani 0.226(5) 1 d . U P B 2 F16' F -0.0322(16) 0.863(3) 0.7308(11) 0.081(7) Uani 0.33(5) 1 d . U P B 2 F17' F 0.074(2) 0.7387(17) 0.7900(13) 0.065(4) Uani 0.33(5) 1 d . U P B 2 F19' F 0.2823(19) 0.8449(19) 0.999(2) 0.082(9) Uani 0.109(8) 1 d . U P B 2 F20' F 0.417(2) 0.8258(19) 1.0503(13) 0.079(10) Uani 0.109(8) 1 d . U P B 2 F21' F 0.364(2) 0.9188(12) 0.9538(15) 0.066(8) Uani 0.109(8) 1 d . U P B 2 F24' F 0.5863(10) 0.5123(9) 1.0573(8) 0.065(4) Uani 0.2 1 d . U P I 2 As1' As 0.9751(6) 0.6729(5) 0.1963(4) 0.0397(17) Uani 0.05 1 d . . P J 2 C11' C 0.7764(8) 0.3659(7) 0.4616(6) 0.048(2) Uani 0.3 1 d . U P C 2 C68' C 0.1454(18) 1.012(2) 0.5253(13) 0.059(5) Uani 0.226(5) 1 d . U P B 2 F2'' F 0.4290(19) 1.1064(12) 0.6624(11) 0.080(5) Uani 0.2 1 d . U P K 3 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 As1 0.0401(2) 0.02506(18) 0.03253(18) -0.00354(13) -0.00786(15) -0.01076(16) B1 0.0355(15) 0.0303(15) 0.0274(14) -0.0037(12) -0.0024(11) -0.0128(12) C1 0.0396(14) 0.0250(12) 0.0288(13) -0.0012(10) -0.0019(10) -0.0063(11) C2 0.0438(15) 0.0339(15) 0.0344(14) -0.0024(12) -0.0005(12) 0.0049(12) C3 0.0585(19) 0.0429(18) 0.0377(16) 0.0059(14) 0.0171(14) 0.0053(15) C4 0.060(2) 0.0361(17) 0.066(2) 0.0005(15) 0.0297(17) -0.0071(15) C5 0.0599(19) 0.0321(15) 0.069(2) -0.0133(15) 0.0216(16) -0.0199(14) C6 0.0444(15) 0.0312(14) 0.0425(15) -0.0092(12) 0.0073(12) -0.0145(12) C7 0.070(2) 0.0458(18) 0.0351(16) -0.0130(14) -0.0039(14) 0.0078(16) C8 0.098(3) 0.078(3) 0.099(3) -0.047(3) 0.020(3) 0.015(3) C9 0.115(4) 0.096(3) 0.088(3) -0.055(3) -0.047(3) 0.025(3) C10 0.044(3) 0.049(3) 0.040(3) 0.001(3) -0.006(3) -0.022(3) C11 0.058(4) 0.081(4) 0.119(6) 0.025(4) -0.018(4) -0.040(3) C12 0.078(2) 0.0356(17) 0.081(3) -0.0026(17) 0.012(2) -0.0183(17) C13 0.0564(17) 0.0362(15) 0.0439(16) -0.0160(13) 0.0084(13) -0.0220(13) C14 0.074(2) 0.074(2) 0.062(2) -0.034(2) -0.0017(18) -0.029(2) C15 0.070(2) 0.0456(18) 0.062(2) -0.0256(16) 0.0217(17) -0.0243(17) C16 0.0420(15) 0.0351(15) 0.0476(16) -0.0123(12) -0.0104(12) -0.0109(12) C17 0.060(2) 0.0410(17) 0.086(2) -0.0249(17) -0.0181(17) -0.0158(15) C18 0.082(3) 0.061(2) 0.090(3) -0.032(2) -0.011(2) -0.036(2) C19 0.056(2) 0.083(3) 0.060(2) -0.0217(19) -0.0072(16) -0.0342(19) C20 0.0440(17) 0.070(2) 0.0510(18) -0.0139(17) -0.0066(14) -0.0173(16) C21 0.0424(15) 0.0458(16) 0.0366(15) -0.0087(13) -0.0017(12) -0.0108(13) C22 0.076(3) 0.044(2) 0.164(5) -0.041(3) -0.039(3) -0.0095(19) C23 0.099(4) 0.072(3) 0.236(8) -0.087(4) 0.018(4) -0.014(3) C24 0.144(5) 0.052(3) 0.181(6) -0.017(3) -0.075(5) 0.006(3) C25 0.081(3) 0.126(4) 0.095(3) -0.040(3) -0.011(2) -0.058(3) C26 0.117(5) 0.429(13) 0.224(8) -0.241(9) 0.030(5) -0.132(7) C27 0.125(5) 0.200(7) 0.176(7) -0.079(6) 0.026(4) -0.116(5) C28 0.0434(16) 0.0421(17) 0.0569(19) -0.0138(15) 0.0014(14) -0.0037(14) C29 0.089(3) 0.048(2) 0.074(3) -0.0002(19) 0.002(2) -0.002(2) C30 0.0469(19) 0.068(2) 0.083(3) -0.031(2) 0.0050(18) -0.0016(17) C31 0.0410(14) 0.0264(13) 0.0337(13) 0.0011(10) -0.0058(11) -0.0157(11) C32 0.0398(14) 0.0291(13) 0.0410(15) 0.0019(11) -0.0055(12) -0.0140(12) C33 0.0383(15) 0.0507(18) 0.0485(17) 0.0062(14) -0.0079(13) -0.0185(14) C34 0.0508(18) 0.061(2) 0.0402(16) 0.0095(14) -0.0096(14) -0.0261(16) C35 0.0499(17) 0.062(2) 0.0347(15) 0.0029(14) -0.0002(13) -0.0262(16) C36 0.0408(15) 0.0358(14) 0.0405(15) 0.0018(12) -0.0034(12) -0.0180(12) C37 0.0424(16) 0.0492(18) 0.0446(17) 0.0001(14) -0.0009(13) -0.0102(14) C38 0.084(3) 0.063(3) 0.092(3) -0.023(2) 0.025(2) -0.010(2) C39 0.089(3) 0.094(3) 0.098(3) -0.025(3) 0.043(3) -0.061(3) C40 0.054(5) 0.061(8) 0.033(4) 0.002(5) -0.004(3) -0.020(5) C41 0.124(11) 0.155(13) 0.061(6) -0.040(7) -0.033(7) -0.049(9) C42 0.094(9) 0.119(9) 0.050(5) 0.024(5) -0.028(5) 0.017(7) C43 0.0424(16) 0.0525(18) 0.0395(16) 0.0029(14) -0.0014(12) -0.0165(14) C44 0.057(2) 0.088(3) 0.073(2) -0.008(2) 0.0001(18) -0.042(2) C45 0.060(2) 0.066(2) 0.0481(19) -0.0039(17) 0.0067(16) -0.0109(18) C46 0.0355(13) 0.0298(13) 0.0262(12) -0.0054(10) -0.0030(10) -0.0122(11) C47 0.0357(14) 0.0307(14) 0.0416(15) -0.0066(12) -0.0045(11) -0.0094(11) C48 0.0461(16) 0.0283(14) 0.0507(17) -0.0054(12) -0.0066(13) -0.0139(12) C49 0.0445(16) 0.0335(14) 0.0515(17) -0.0024(13) -0.0008(13) -0.0207(13) C50 0.0376(14) 0.0344(14) 0.0461(16) -0.0011(12) 0.0003(12) -0.0140(12) C51 0.0372(14) 0.0267(13) 0.0387(14) -0.0016(11) -0.0005(11) -0.0113(11) C52 0.059(2) 0.0341(17) 0.092(3) -0.008(2) -0.005(2) -0.0160(16) C53 0.0446(18) 0.046(2) 0.089(3) 0.0020(19) 0.0097(19) -0.0190(16) C54 0.0377(13) 0.0345(13) 0.0270(12) -0.0040(10) -0.0020(10) -0.0170(11) C55 0.0641(18) 0.0415(16) 0.0338(14) -0.0107(12) 0.0085(13) -0.0308(14) C56 0.076(2) 0.0515(18) 0.0360(15) -0.0168(14) 0.0141(14) -0.0372(17) C57 0.078(2) 0.0445(17) 0.0403(16) -0.0179(13) 0.0088(15) -0.0338(16) C58 0.0562(17) 0.0408(16) 0.0351(14) -0.0083(12) 0.0036(12) -0.0265(14) C59 0.0428(14) 0.0386(14) 0.0287(13) -0.0070(11) 0.0033(11) -0.0184(12) C60 0.132(4) 0.058(2) 0.060(2) -0.0337(19) 0.036(2) -0.055(3) C61 0.087(2) 0.0432(18) 0.0444(17) -0.0114(15) 0.0140(17) -0.0351(18) C62 0.0357(13) 0.0327(13) 0.0269(12) -0.0045(10) -0.0040(10) -0.0155(11) C63 0.0385(15) 0.0631(19) 0.0312(14) 0.0049(13) -0.0041(11) -0.0281(14) C64 0.0454(16) 0.067(2) 0.0351(15) 0.0153(14) -0.0111(13) -0.0316(16) C65 0.0365(14) 0.0509(17) 0.0409(15) 0.0079(13) -0.0115(12) -0.0237(13) C66 0.0376(14) 0.0346(14) 0.0319(13) -0.0038(11) -0.0016(11) -0.0200(12) C67 0.0407(14) 0.0275(12) 0.0258(12) -0.0024(10) -0.0033(10) -0.0162(11) C68 0.034(2) 0.055(3) 0.041(3) 0.012(3) -0.005(2) -0.016(2) C69 0.0446(16) 0.0545(18) 0.0413(16) -0.0048(13) 0.0005(13) -0.0292(14) C70 0.0317(12) 0.0339(13) 0.0268(12) -0.0037(10) -0.0034(10) -0.0140(11) C71 0.0352(13) 0.0322(13) 0.0314(13) -0.0050(11) -0.0062(10) -0.0103(11) C72 0.0382(14) 0.0403(15) 0.0320(13) -0.0101(12) -0.0027(11) -0.0124(12) C73 0.0444(15) 0.0470(16) 0.0261(13) -0.0060(12) -0.0062(11) -0.0140(13) C74 0.0366(14) 0.0428(16) 0.0314(14) -0.0040(12) -0.0097(11) -0.0061(12) C75 0.0341(13) 0.0376(14) 0.0304(13) -0.0081(11) -0.0017(10) -0.0086(11) C76 0.0568(19) 0.0517(19) 0.0382(16) -0.0174(14) -0.0055(14) -0.0110(15) C77 0.061(2) 0.056(2) 0.0438(18) -0.0101(16) -0.0164(15) 0.0034(17) C10' 0.045(6) 0.042(4) 0.052(6) 0.000(4) 0.005(5) -0.026(4) F8' 0.025(5) 0.024(5) 0.026(5) -0.006(2) 0.002(2) -0.010(3) C40' 0.055(6) 0.055(7) 0.057(6) 0.009(5) -0.024(4) -0.020(5) C41' 0.104(9) 0.123(10) 0.072(6) -0.009(7) -0.017(6) -0.069(8) C42' 0.139(13) 0.097(8) 0.090(8) 0.034(6) -0.049(8) -0.043(8) F1 0.092(4) 0.037(2) 0.137(5) 0.002(3) -0.050(4) -0.001(2) F2 0.115(9) 0.040(3) 0.088(4) -0.033(3) 0.020(6) -0.026(6) F3 0.082(4) 0.034(3) 0.133(8) 0.022(3) 0.041(5) -0.009(3) F4 0.0427(15) 0.061(2) 0.143(4) -0.005(2) 0.0027(17) -0.0268(14) F5 0.067(2) 0.156(6) 0.121(4) -0.080(4) 0.031(2) -0.011(3) F6 0.0424(15) 0.068(2) 0.129(4) 0.035(2) 0.0034(18) -0.0003(13) F7 0.162(3) 0.0628(17) 0.0495(15) -0.0236(13) 0.0534(17) -0.064(2) F8 0.159(5) 0.094(3) 0.082(2) -0.042(2) 0.070(3) -0.026(3) F9 0.205(3) 0.117(2) 0.0439(12) -0.0320(14) 0.0155(16) -0.084(2) F10 0.167(5) 0.058(3) 0.076(3) -0.035(3) 0.051(4) -0.072(4) F11 0.1089(19) 0.0560(13) 0.0778(16) 0.0217(12) -0.0074(14) -0.0310(13) F12 0.0936(16) 0.0662(13) 0.0791(14) -0.0168(11) 0.0304(12) -0.0546(13) F13 0.0436(15) 0.107(2) 0.0362(13) 0.0260(13) -0.0042(11) -0.0324(15) F14 0.0502(14) 0.096(2) 0.0316(12) 0.0038(12) -0.0112(10) -0.0337(14) F15 0.081(3) 0.053(2) 0.067(2) 0.0285(19) -0.012(2) -0.015(2) F16 0.0374(19) 0.080(5) 0.069(3) 0.004(3) 0.0069(19) -0.008(2) F17 0.087(6) 0.070(5) 0.088(5) -0.034(4) 0.035(5) -0.062(5) F18 0.0763(13) 0.0947(16) 0.0523(11) -0.0306(11) 0.0283(10) -0.0537(12) F19 0.078(2) 0.097(3) 0.070(2) -0.050(2) -0.0241(16) 0.0340(19) F20 0.131(3) 0.0754(19) 0.0500(17) -0.0249(14) 0.034(2) -0.015(2) F21 0.097(2) 0.093(3) 0.123(3) -0.075(3) 0.009(2) -0.037(2) F22 0.0925(16) 0.0424(11) 0.0740(14) -0.0058(10) -0.0253(12) 0.0024(11) F23 0.0496(13) 0.0872(18) 0.128(2) -0.0259(16) -0.0292(13) 0.0089(12) F24 0.097(3) 0.080(2) 0.0356(14) -0.0020(14) -0.0284(16) 0.026(2) F1' 0.056(4) 0.031(3) 0.180(9) -0.007(5) -0.008(6) -0.008(3) F2' 0.140(12) 0.044(5) 0.224(16) -0.020(8) -0.057(10) -0.040(7) F3' 0.161(11) 0.031(3) 0.061(5) 0.018(3) -0.031(7) -0.012(6) F4' 0.076(11) 0.14(2) 0.163(19) -0.031(15) -0.019(12) -0.046(12) F5' 0.058(9) 0.065(11) 0.102(12) 0.025(9) 0.039(8) 0.011(8) F6' 0.052(9) 0.070(11) 0.116(17) -0.007(11) 0.019(10) 0.002(7) F7' 0.113(17) 0.127(19) 0.087(15) -0.034(12) 0.041(12) -0.071(14) F10' 0.095(11) 0.048(9) 0.045(6) -0.015(6) 0.000(8) -0.048(8) F13' 0.132(10) 0.105(9) 0.083(7) 0.049(6) -0.039(6) -0.086(8) F14' 0.149(15) 0.107(11) 0.036(6) 0.003(7) -0.003(8) -0.033(10) F15' 0.088(9) 0.087(8) 0.072(7) 0.026(6) -0.015(7) -0.021(8) F16' 0.036(6) 0.123(16) 0.069(6) 0.002(8) 0.002(4) -0.035(8) F17' 0.081(10) 0.058(7) 0.062(6) 0.000(5) 0.024(7) -0.049(7) F19' 0.059(12) 0.065(14) 0.129(19) -0.049(13) 0.060(12) -0.023(10) F20' 0.089(15) 0.072(14) 0.039(11) -0.024(10) -0.033(10) 0.024(11) F21' 0.082(16) 0.037(10) 0.075(13) -0.022(9) 0.019(11) -0.013(9) F24' 0.066(4) 0.065(4) 0.061(4) -0.016(2) 0.004(2) -0.021(2) As1' 0.039(4) 0.025(3) 0.031(3) 0.007(2) 0.007(3) 0.003(3) C11' 0.054(6) 0.041(5) 0.046(6) -0.006(4) 0.024(5) -0.022(5) C68' 0.060(9) 0.057(10) 0.056(9) -0.011(8) -0.012(7) -0.019(8) F2'' 0.085(12) 0.049(8) 0.081(9) -0.014(6) 0.005(10) 0.000(9) 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' B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' As As 0.0499 2.0058 '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 C1 As1 C31 117.93(11) C1 As1 C16 117.09(12) C31 As1 C16 119.33(12) C70 B1 C46 105.78(19) C70 B1 C54 112.3(2) C46 B1 C54 110.9(2) C70 B1 C62 112.9(2) C46 B1 C62 112.0(2) C54 B1 C62 103.1(2) C2 C1 C6 122.4(2) C2 C1 As1 115.3(2) C6 C1 As1 122.30(19) C3 C2 C1 117.4(3) C3 C2 C7 119.1(3) C1 C2 C7 123.5(3) C4 C3 C2 122.4(3) C4 C3 H3 118.8 C2 C3 H3 118.8 C3 C4 C5 118.4(3) C3 C4 C10 114.3(4) C5 C4 C10 126.9(4) C6 C5 C4 122.8(3) C6 C5 H5 118.6 C4 C5 H5 118.6 C5 C6 C1 116.6(3) C5 C6 C13 120.0(3) C1 C6 C13 123.5(2) C9 C7 C2 112.4(3) C9 C7 C8 111.1(4) C2 C7 C8 112.1(3) C9 C7 H7 107.0 C2 C7 H7 107.0 C8 C7 H7 107.0 C7 C8 H8A 109.5 C7 C8 H8B 109.5 H8A C8 H8B 109.5 C7 C8 H8C 109.5 H8A C8 H8C 109.5 H8B C8 H8C 109.5 C7 C9 H9A 109.5 C7 C9 H9B 109.5 H9A C9 H9B 109.5 C7 C9 H9C 109.5 H9A C9 H9C 109.5 H9B C9 H9C 109.5 C11 C10 C12 105.5(6) C11 C10 C4 103.7(5) C12 C10 C4 113.8(5) C11 C10 H10 109.3 C12 C10 H10 111.1 C4 C10 H10 112.9 C10 C11 H11A 109.5 C10 C11 H11B 109.5 H11A C11 H11B 109.5 C10 C11 H11C 109.5 H11A C11 H11C 109.5 H11B C11 H11C 109.5 C10 C12 H12A 109.5 C10 C12 H12B 109.5 H12A C12 H12B 109.5 C10 C12 H12C 109.5 H12A C12 H12C 109.5 H12B C12 H12C 109.5 C6 C13 C14 111.3(3) C6 C13 C15 112.0(3) C14 C13 C15 111.5(3) C6 C13 H13 107.3 C14 C13 H13 107.3 C15 C13 H13 107.3 C13 C14 H14A 109.5 C13 C14 H14B 109.5 H14A C14 H14B 109.5 C13 C14 H14C 109.5 H14A C14 H14C 109.5 H14B C14 H14C 109.5 C13 C15 H15A 109.5 C13 C15 H15B 109.5 H15A C15 H15B 109.5 C13 C15 H15C 109.5 H15A C15 H15C 109.5 H15B C15 H15C 109.5 C21 C16 C17 122.1(3) C21 C16 As1 122.5(2) C17 C16 As1 115.3(2) C18 C17 C16 116.8(3) C18 C17 C22 119.5(3) C16 C17 C22 123.7(3) C19 C18 C17 122.7(3) C19 C18 H18 118.7 C17 C18 H18 118.7 C20 C19 C18 118.1(3) C20 C19 C25 120.3(4) C18 C19 C25 121.6(4) C19 C20 C21 123.0(3) C19 C20 H20 118.5 C21 C20 H20 118.5 C20 C21 C16 117.3(3) C20 C21 C28 119.1(3) C16 C21 C28 123.5(3) C17 C22 C24 111.4(5) C17 C22 C23 111.8(4) C24 C22 C23 111.7(4) C17 C22 H22 107.2 C24 C22 H22 107.2 C23 C22 H22 107.2 C22 C23 H23A 109.5 C22 C23 H23B 109.5 H23A C23 H23B 109.5 C22 C23 H23C 109.5 H23A C23 H23C 109.5 H23B C23 H23C 109.5 C22 C24 H24A 109.5 C22 C24 H24B 109.5 H24A C24 H24B 109.5 C22 C24 H24C 109.5 H24A C24 H24C 109.5 H24B C24 H24C 109.5 C26 C25 C27 116.5(6) C26 C25 C19 113.9(4) C27 C25 C19 111.4(4) C26 C25 H25 104.5 C27 C25 H25 104.5 C19 C25 H25 104.5 C25 C26 H26A 109.5 C25 C26 H26B 109.5 H26A C26 H26B 109.5 C25 C26 H26C 109.5 H26A C26 H26C 109.5 H26B C26 H26C 109.5 C25 C27 H27A 109.5 C25 C27 H27B 109.5 H27A C27 H27B 109.5 C25 C27 H27C 109.5 H27A C27 H27C 109.5 H27B C27 H27C 109.5 C21 C28 C29 111.4(3) C21 C28 C30 112.2(3) C29 C28 C30 111.2(3) C21 C28 H28 107.3 C29 C28 H28 107.3 C30 C28 H28 107.3 C28 C29 H29A 109.5 C28 C29 H29B 109.5 H29A C29 H29B 109.5 C28 C29 H29C 109.5 H29A C29 H29C 109.5 H29B C29 H29C 109.5 C28 C30 H30A 109.5 C28 C30 H30B 109.5 H30A C30 H30B 109.5 C28 C30 H30C 109.5 H30A C30 H30C 109.5 H30B C30 H30C 109.5 C36 C31 C32 122.3(2) C36 C31 As1 122.5(2) C32 C31 As1 115.2(2) C33 C32 C31 116.7(3) C33 C32 C37 118.9(3) C31 C32 C37 124.4(2) C34 C33 C32 122.7(3) C34 C33 H33 118.6 C32 C33 H33 118.6 C35 C34 C33 118.5(3) C35 C34 C40 123.2(7) C33 C34 C40 117.8(7) C34 C35 C36 122.3(3) C34 C35 H35 118.8 C36 C35 H35 118.8 C35 C36 C31 117.4(3) C35 C36 C43 119.5(3) C31 C36 C43 123.1(2) C38 C37 C32 112.2(3) C38 C37 C39 111.3(3) C32 C37 C39 112.3(3) C38 C37 H37 106.9 C32 C37 H37 106.9 C39 C37 H37 106.9 C37 C38 H38A 109.5 C37 C38 H38B 109.5 H38A C38 H38B 109.5 C37 C38 H38C 109.5 H38A C38 H38C 109.5 H38B C38 H38C 109.5 C37 C39 H39A 109.5 C37 C39 H39B 109.5 H39A C39 H39B 109.5 C37 C39 H39C 109.5 H39A C39 H39C 109.5 H39B C39 H39C 109.5 C42 C40 C34 121.7(12) C42 C40 C41 110.3(13) C34 C40 C41 98.1(10) C42 C40 H40 108.6 C34 C40 H40 108.6 C41 C40 H40 108.6 C40 C41 H41A 109.5 C40 C41 H41B 109.5 H41A C41 H41B 109.5 C40 C41 H41C 109.5 H41A C41 H41C 109.5 H41B C41 H41C 109.5 C40 C42 H42A 109.5 C40 C42 H42B 109.5 H42A C42 H42B 109.5 C40 C42 H42C 109.5 H42A C42 H42C 109.5 H42B C42 H42C 109.5 C45 C43 C36 112.8(3) C45 C43 C44 111.2(3) C36 C43 C44 110.6(3) C45 C43 H43 107.3 C36 C43 H43 107.3 C44 C43 H43 107.3 C43 C44 H44A 109.5 C43 C44 H44B 109.5 H44A C44 H44B 109.5 C43 C44 H44C 109.5 H44A C44 H44C 109.5 H44B C44 H44C 109.5 C43 C45 H45A 109.5 C43 C45 H45B 109.5 H45A C45 H45B 109.5 C43 C45 H45C 109.5 H45A C45 H45C 109.5 H45B C45 H45C 109.5 C51 C46 C47 115.3(2) C51 C46 B1 121.1(2) C47 C46 B1 123.5(2) C48 C47 C46 122.2(3) C48 C47 H47 118.9 C46 C47 H47 118.9 C49 C48 C47 121.0(3) C49 C48 C52 118.7(3) C47 C48 C52 120.3(3) C50 C49 C48 118.3(3) C50 C49 H49 120.8 C48 C49 H49 120.8 C49 C50 C51 120.3(3) C49 C50 C53 119.4(3) C51 C50 C53 120.2(3) C50 C51 C46 122.8(2) C50 C51 H51 118.6 C46 C51 H51 118.6 F2 C52 F1 120.1(7) F2 C52 F3 98.1(7) F1 C52 F3 97.9(6) F2 C52 C48 114.8(6) F1 C52 C48 112.5(3) F3 C52 C48 110.3(4) F5 C53 F6 105.7(4) F5 C53 F4 108.8(4) F6 C53 F4 102.5(4) F5 C53 C50 114.2(4) F6 C53 C50 112.1(3) F4 C53 C50 112.5(3) C55 C54 C59 115.5(2) C55 C54 B1 121.6(2) C59 C54 B1 122.4(2) C54 C55 C56 122.5(3) C54 C55 H55 118.8 C56 C55 H55 118.8 C57 C56 C55 120.5(3) C57 C56 C60 118.7(3) C55 C56 C60 120.6(3) C58 C57 C56 118.4(3) C58 C57 H57 120.8 C56 C57 H57 120.8 C57 C58 C59 120.5(3) C57 C58 C61 119.5(3) C59 C58 C61 120.0(3) C58 C59 C54 122.5(2) C58 C59 H59 118.7 C54 C59 H59 118.7 F7 C60 F9 103.7(4) F7 C60 F8 110.0(4) F9 C60 F8 105.0(4) F7 C60 C56 114.7(3) F9 C60 C56 111.7(4) F8 C60 C56 111.1(4) F11 C61 F12 105.1(3) F11 C61 F10 102.4(4) F12 C61 F10 110.7(4) F11 C61 C58 112.3(3) F12 C61 C58 112.7(3) F10 C61 C58 112.9(4) C63 C62 C67 115.6(2) C63 C62 B1 120.0(2) C67 C62 B1 123.9(2) C64 C63 C62 122.6(3) C64 C63 H63 118.7 C62 C63 H63 118.7 C63 C64 C65 120.3(3) C63 C64 C68 120.0(3) C65 C64 C68 119.6(3) C66 C65 C64 118.4(3) C66 C65 H65 120.8 C64 C65 H65 120.8 C65 C66 C67 120.6(2) C65 C66 C69 120.0(2) C67 C66 C69 119.4(2) C66 C67 C62 122.4(2) C66 C67 H67 118.8 C62 C67 H67 118.8 F14 C68 F13 105.7(6) F14 C68 F15 105.7(4) F13 C68 F15 106.5(4) F14 C68 C64 114.9(4) F13 C68 C64 114.5(3) F15 C68 C64 109.0(6) F17 C69 F18 107.9(8) F17 C69 F16 106.5(5) F18 C69 F16 99.0(8) F17 C69 C66 116.2(6) F18 C69 C66 113.0(2) F16 C69 C66 112.7(4) C75 C70 C71 115.5(2) C75 C70 B1 122.2(2) C71 C70 B1 122.1(2) C72 C71 C70 122.4(2) C72 C71 H71 118.8 C70 C71 H71 118.8 C73 C72 C71 120.5(2) C73 C72 C76 118.8(2) C71 C72 C76 120.7(3) C72 C73 C74 118.5(2) C72 C73 H73 120.7 C74 C73 H73 120.7 C73 C74 C75 120.4(3) C73 C74 C77 121.0(3) C75 C74 C77 118.5(3) C74 C75 C70 122.7(2) C74 C75 H75 118.6 C70 C75 H75 118.6 F19 C76 F20 106.3(3) F19 C76 F21 104.6(4) F20 C76 F21 104.7(3) F19 C76 C72 114.5(2) F20 C76 C72 113.7(3) F21 C76 C72 112.2(3) F24 C77 F22 111.3(4) F24 C77 F23 101.8(3) F22 C77 F23 103.1(3) F24 C77 C74 114.6(3) F22 C77 C74 113.3(3) F23 C77 C74 111.4(3) C41' C40' C42' 106.2(12) F14' C68' F13' 113(2) F14' C68' F15' 101.0(19) F13' C68' F15' 106(3) loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance As1 C1 1.915(3) As1 C31 1.915(3) As1 C16 1.920(3) B1 C70 1.637(4) B1 C46 1.639(4) B1 C54 1.641(4) B1 C62 1.641(4) C1 C2 1.407(4) C1 C6 1.405(4) C2 C3 1.383(4) C2 C7 1.517(4) C3 C4 1.372(5) C3 H3 0.9300 C4 C5 1.393(5) C4 C10 1.506(7) C5 C6 1.385(4) C5 H5 0.9300 C6 C13 1.520(4) C7 C9 1.512(5) C7 C8 1.522(6) C7 H7 0.9800 C8 H8A 0.9600 C8 H8B 0.9600 C8 H8C 0.9600 C9 H9A 0.9600 C9 H9B 0.9600 C9 H9C 0.9600 C10 C11 1.521(8) C10 C12 1.494(8) C10 H10 0.9800 C11 H11A 0.9600 C11 H11B 0.9600 C11 H11C 0.9600 C12 H12A 0.9600 C12 H12B 0.9600 C12 H12C 0.9600 C13 C14 1.527(5) C13 C15 1.535(4) C13 H13 0.9800 C14 H14A 0.9600 C14 H14B 0.9600 C14 H14C 0.9600 C15 H15A 0.9600 C15 H15B 0.9600 C15 H15C 0.9600 C16 C21 1.401(4) C16 C17 1.406(4) C17 C18 1.393(5) C17 C22 1.510(5) C18 C19 1.386(5) C18 H18 0.9300 C19 C20 1.370(5) C19 C25 1.521(5) C20 C21 1.385(4) C20 H20 0.9300 C21 C28 1.522(4) C22 C24 1.516(8) C22 C23 1.528(8) C22 H22 0.9800 C23 H23A 0.9600 C23 H23B 0.9600 C23 H23C 0.9600 C24 H24A 0.9600 C24 H24B 0.9600 C24 H24C 0.9600 C25 C26 1.409(8) C25 C27 1.475(8) C25 H25 0.9800 C26 H26A 0.9600 C26 H26B 0.9600 C26 H26C 0.9600 C27 H27A 0.9600 C27 H27B 0.9600 C27 H27C 0.9600 C28 C29 1.524(5) C28 C30 1.537(5) C28 H28 0.9800 C29 H29A 0.9600 C29 H29B 0.9600 C29 H29C 0.9600 C30 H30A 0.9600 C30 H30B 0.9600 C30 H30C 0.9600 C31 C36 1.404(4) C31 C32 1.410(4) C32 C33 1.392(4) C32 C37 1.513(4) C33 C34 1.382(5) C33 H33 0.9300 C34 C35 1.385(4) C34 C40 1.525(16) C35 C36 1.387(4) C35 H35 0.9300 C36 C43 1.523(4) C37 C38 1.504(5) C37 C39 1.513(5) C37 H37 0.9800 C38 H38A 0.9600 C38 H38B 0.9600 C38 H38C 0.9600 C39 H39A 0.9600 C39 H39B 0.9600 C39 H39C 0.9600 C40 C42 1.361(18) C40 C41 1.71(2) C40 H40 0.9800 C41 H41A 0.9600 C41 H41B 0.9600 C41 H41C 0.9600 C42 H42A 0.9600 C42 H42B 0.9600 C42 H42C 0.9600 C43 C45 1.522(5) C43 C44 1.539(5) C43 H43 0.9800 C44 H44A 0.9600 C44 H44B 0.9600 C44 H44C 0.9600 C45 H45A 0.9600 C45 H45B 0.9600 C45 H45C 0.9600 C46 C51 1.396(4) C46 C47 1.399(4) C47 C48 1.388(4) C47 H47 0.9300 C48 C49 1.381(4) C48 C52 1.496(4) C49 C50 1.380(4) C49 H49 0.9300 C50 C51 1.391(4) C50 C53 1.493(4) C51 H51 0.9300 C52 F2 1.256(11) C52 F1 1.326(6) C52 F3 1.416(8) C53 F5 1.291(6) C53 F6 1.340(6) C53 F4 1.342(5) C54 C55 1.393(4) C54 C59 1.399(4) C55 C56 1.390(4) C55 H55 0.9300 C56 C57 1.383(4) C56 C60 1.493(5) C57 C58 1.381(4) C57 H57 0.9300 C58 C59 1.387(4) C58 C61 1.491(4) C59 H59 0.9300 C60 F7 1.315(4) C60 F9 1.348(5) C60 F8 1.367(7) C61 F11 1.317(4) C61 F12 1.329(4) C61 F10 1.336(7) C62 C63 1.394(4) C62 C67 1.395(4) C63 C64 1.385(4) C63 H63 0.9300 C64 C65 1.392(4) C64 C68 1.485(6) C65 C66 1.373(4) C65 H65 0.9300 C66 C67 1.391(4) C66 C69 1.489(4) C67 H67 0.9300 C68 F14 1.336(7) C68 F13 1.341(6) C68 F15 1.347(8) C69 F17 1.280(11) C69 F18 1.330(4) C69 F16 1.378(8) C70 C75 1.394(4) C70 C71 1.399(4) C71 C72 1.396(4) C71 H71 0.9300 C72 C73 1.381(4) C72 C76 1.487(4) C73 C74 1.383(4) C73 H73 0.9300 C74 C75 1.392(4) C74 C77 1.488(4) C75 H75 0.9300 C76 F19 1.320(4) C76 F20 1.326(4) C76 F21 1.340(4) C77 F24 1.301(4) C77 F22 1.332(4) C77 F23 1.348(5) C10' C11' 1.554(14) F8' F7' 1.49(4) C40' C41' 1.47(2) C40' C42' 1.669(19) F13' C68' 1.27(3) F14' C68' 1.25(3) F15' C68' 1.35(3)