#------------------------------------------------------------------------------ #$Date: 2020-10-06 10:06:46 +0300 (Tue, 06 Oct 2020) $ #$Revision: 257310 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/55/74/1557438.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_1557438 loop_ _publ_author_name 'Dang, Li-Long' 'Gao, Xiang' 'Lin, Yue-Jian' 'Jin, Guo-Xin' _publ_section_title ; s-Block metal ions induce structural transformations between figure-eight and double trefoil knots ; _journal_issue 5 _journal_name_full 'Chemical Science' _journal_page_first 1226 _journal_page_last 1232 _journal_paper_doi 10.1039/C9SC05796J _journal_volume 11 _journal_year 2020 _chemical_formula_moiety 'C327 F3 K2 N48 O17 Rh12 S, 6.56(C F3 O3 S), C O, 0.44(C F3), 0.44(O3 S), 4(O)' _chemical_formula_sum 'C333 H250 F35 K2 N99 O100 Rh12 S7' _chemical_formula_weight 9440.85 _space_group_crystal_system triclinic _space_group_IT_number 2 _space_group_name_Hall '-P 1' _space_group_name_H-M_alt 'P -1' _atom_sites_solution_primary iterative _audit_creation_date 2019-11-12 _audit_creation_method ; Olex2 1.2 (compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506) ; _audit_update_record ; 2019-11-12 deposited with the CCDC. 2020-01-07 downloaded from the CCDC. ; _cell_angle_alpha 72.977(3) _cell_angle_beta 89.886(4) _cell_angle_gamma 76.760(4) _cell_formula_units_Z 2 _cell_length_a 22.5096(15) _cell_length_b 25.221(2) _cell_length_c 39.360(3) _cell_measurement_temperature 173(2) _cell_volume 20747(3) _computing_molecular_graphics 'Olex2 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 (Dolomanov et al., 2009)' _computing_structure_refinement 'olex2.refine (Bourhis et al., 2015)' _computing_structure_solution 'olex2.solve (Bourhis et al., 2015)' _diffrn_ambient_temperature 173.0 _diffrn_measured_fraction_theta_full 1.000 _diffrn_measured_fraction_theta_max 0.997 _diffrn_radiation_type GaK\a _diffrn_radiation_wavelength 1.34139 _diffrn_reflns_av_unetI/netI 0.0555 _diffrn_reflns_Laue_measured_fraction_full 1.000 _diffrn_reflns_Laue_measured_fraction_max 0.997 _diffrn_reflns_number 84738 _diffrn_reflns_point_group_measured_fraction_full 1.000 _diffrn_reflns_point_group_measured_fraction_max 0.997 _diffrn_reflns_theta_full 53.594 _diffrn_reflns_theta_max 57.000 _diffrn_reflns_theta_min 2.791 _exptl_absorpt_coefficient_mu 3.467 _exptl_crystal_density_diffrn 1.511 _exptl_crystal_F_000 9492 _refine_diff_density_max 10.959 _refine_diff_density_min -2.375 _refine_diff_density_rms 0.423 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 2.124 _refine_ls_hydrogen_treatment undef _refine_ls_matrix_type full _refine_ls_number_parameters 4439 _refine_ls_number_reflns 84738 _refine_ls_number_restraints 17 _refine_ls_restrained_S_all 2.131 _refine_ls_R_factor_all 0.2025 _refine_ls_R_factor_gt 0.1885 _refine_ls_shift/su_max 12.670 _refine_ls_shift/su_mean 0.084 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.2000P)^2^+0.6831P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.4726 _refine_ls_wR_factor_ref 0.4884 _reflns_Friedel_coverage 0.000 _reflns_number_gt 68428 _reflns_number_total 84738 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file c9sc05796j2.cif _cod_data_source_block 1 _cod_depositor_comments 'Adding full bibliography for 1557437--1557441.cif.' _cod_original_cell_volume 20748(3) _cod_database_code 1557438 _shelx_shelxl_version_number 2018/3 _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; _olex2_refinement_description ; 1. Shared sites {C23, C23'} 2. Restrained distances C14I-C15I 1.4 with sigma of 0.02 C11I-C16I = C12I-C17I = C13I-C18I = C14I-C19I = C15I-C20I 1.48 with sigma of 0.02 C16I-C17I = C17I-C18I = C18I-C19I = C19I-C20I = C16I-C20I 3.2 with sigma of 0.03 C341-O57 1.42 with sigma of 0.03 C326-F5 = C432-F22' = C432-F23' = C432-F24' 1.32 with sigma of 0.02 S1-O15 1.43 with sigma of 0.02 3. Uiso/Uaniso restraints and constraints Uanis(C23) = Uanis(C23') 4. Others Sof(C432)=Sof(F22')=Sof(F23')=Sof(F24')=Sof(S8')=Sof(O34')=Sof(O35')= Sof(O36')=1-FVAR(1) Sof(S8)=Sof(C332)=Sof(O34)=Sof(O35)=Sof(O36)=Sof(F22)=Sof(F23)=Sof(F24)=FVAR(1) Sof(C11K)=Sof(C12K)=Sof(C13K)=Sof(C14K)=Sof(C15K)=Sof(C16K)=Sof(C17K)= Sof(C18K)=Sof(C19K)=Sof(C20K)=1-FVAR(2) Sof(C1K)=Sof(C2K)=Sof(C3K)=Sof(C4K)=Sof(C5K)=Sof(C6K)=Sof(C7K)=Sof(C8K)= Sof(C9K)=Sof(C10K)=FVAR(2) Sof(C23')=Sof(C24')=Sof(C25')=Sof(C26')=Sof(C27')=Sof(C28')=1-FVAR(3) Sof(C23)=Sof(C24)=Sof(C25)=Sof(C26)=Sof(C27)=Sof(C28)=FVAR(3) Sof(C11I)=Sof(C12I)=Sof(C13I)=Sof(C14I)=Sof(C15I)=Sof(C16I)=Sof(C17I)= Sof(C18I)=Sof(C19I)=Sof(C20I)=1-FVAR(4) Sof(C1I)=Sof(C2I)=Sof(C3I)=Sof(C4I)=Sof(C5I)=Sof(C6I)=Sof(C7I)=Sof(C8I)= Sof(C9I)=Sof(C10I)=FVAR(4) 5.a : C11I(C12I,C13I,C14I,C15I), C1K(C2K,C3K,C4K,C5K,C6K,C7K,C8K,C9K,C10K,C11K,C12K, C13K,C14K,C15K,C16K,C17K,C18K,C19K,C20K) ; _shelx_res_file ; TITL ga_90403c_a.res in P-1 ga_90403c.res created by SHELXL-2018/3 at 13:11:58 on 12-Nov-2019 CELL 1.34139 22.5096 25.2211 39.36 72.977 89.886 76.76 ZERR 2 0.0015 0.0022 0.003 0.003 0.004 0.004 LATT 1 SFAC C N F S K Rh H O UNIT 666 198 70 14 4 24 500 200 LIST 6 ! automatically inserted. Change 6 to 4 for CHECKCIF!! OMIT -2 114 L.S. 3 ACTA BOND $H FMAP 2 PLAN 380 CONF eadp c23 c23' exyz c23 c23' damp 1000 DFIX 1.40 0.02 C14I C15I dfix 1.48 0.02 c11i c16i c12i c17i c13i c18i c14i c19i c15i c20i dfix 3.20 0.03 c16i c17i c17i c18i c18i c19i c19i c20i c16i c20i DFIX 1.42 0.03 C341 O57 DFIX 1.32 C326 F5 C432 F22' C432 F23' C432 F24' DFIX 1.43 S1 O15 TEMP -100.15 WGHT 0.200000 0.683087 FVAR 0.07986 0.55589 0.52985 0.58477 0.77192 RH1 6 0.683116 0.182523 0.743290 11.00000 0.06918 0.07256 = 0.04637 -0.02776 0.00946 -0.00873 RH2 6 0.661953 0.316194 0.836530 11.00000 0.03836 0.07750 = 0.04498 -0.03065 0.00230 -0.01094 RH3 6 0.059917 0.195542 0.647559 11.00000 0.05662 0.09012 = 0.07684 -0.02479 0.00107 -0.03352 RH4 6 0.189857 0.341929 0.562351 11.00000 0.04625 0.09468 = 0.05723 -0.03627 0.00660 -0.02849 RH5 6 0.243569 0.166509 1.007951 11.00000 0.06110 0.07165 = 0.05146 -0.02586 0.01066 -0.00639 RH6 6 0.025205 0.309398 0.935006 11.00000 0.04469 0.07263 = 0.04780 -0.02548 0.01089 -0.02611 RH7 6 0.303410 0.635572 0.940465 11.00000 0.03837 0.07891 = 0.04622 -0.03536 0.00619 -0.01634 RH8 6 0.443035 0.773434 0.858643 11.00000 0.05165 0.07167 = 0.07511 -0.03931 0.00833 -0.02636 RH9 6 -0.151885 0.650606 0.665305 11.00000 0.03986 0.08729 = 0.05021 -0.03162 0.00598 -0.02157 RH10 6 -0.171729 0.787573 0.755689 11.00000 0.04301 0.06987 = 0.06253 -0.03204 0.00785 -0.01003 RH11 6 0.492844 0.646075 0.573992 11.00000 0.06086 0.13074 = 0.05483 -0.04257 0.02268 -0.05456 RH12 6 0.279073 0.795485 0.500030 11.00000 0.09368 0.13599 = 0.05544 -0.01645 0.00826 -0.06035 K1 5 0.255940 0.473899 0.754289 11.00000 0.03701 0.07580 = 0.04440 -0.02974 0.00895 -0.01825 K2 5 0.353497 0.064812 0.816005 11.00000 0.08513 0.08846 = 0.07969 -0.04704 0.02444 -0.03342 N1 2 0.677379 0.173474 0.800413 11.00000 0.05585 0.07311 = 0.05127 -0.02527 0.00165 -0.01209 N2 2 0.656759 0.271331 0.742263 11.00000 0.06201 0.06419 = 0.04397 -0.02308 0.00580 -0.02076 N3 2 0.653809 0.325216 0.780322 11.00000 0.04282 0.07240 = 0.04688 -0.02743 0.00793 -0.01421 N4 2 0.665760 0.229148 0.837367 11.00000 0.04706 0.06715 = 0.04728 -0.02417 -0.00029 -0.00737 N5 2 0.058664 0.284523 0.628972 11.00000 0.05456 0.08589 = 0.10172 -0.02857 0.00162 -0.01735 N6 2 0.147543 0.191672 0.624556 11.00000 0.08996 0.08025 = 0.06846 -0.03781 0.01339 -0.04597 N7 2 0.203776 0.252616 0.592577 11.00000 0.05788 0.08607 = 0.05899 -0.03765 0.00912 -0.02003 N8 2 0.109015 0.344393 0.592077 11.00000 0.04385 0.09166 = 0.07034 -0.02957 0.00933 -0.01832 N9 2 0.202099 0.254740 0.985402 11.00000 0.04411 0.07793 = 0.05591 -0.03378 0.01322 -0.00787 N10 2 0.164073 0.162539 0.978212 11.00000 0.07102 0.07800 = 0.05814 -0.02183 0.01389 -0.02580 N11 2 0.077104 0.222145 0.945426 11.00000 0.05584 0.05871 = 0.05789 -0.02467 0.01220 -0.02257 N12 2 0.111068 0.314100 0.957798 11.00000 0.04317 0.06314 = 0.05818 -0.03130 0.01018 -0.01598 N13 2 0.390885 0.627393 0.915242 11.00000 0.04067 0.07198 = 0.04475 -0.02941 0.00623 -0.01473 N14 2 0.291421 0.721155 0.903901 11.00000 0.03690 0.07384 = 0.06330 -0.03527 0.00506 -0.01263 N15 2 0.348607 0.777613 0.871988 11.00000 0.05336 0.06631 = 0.07127 -0.03502 0.00838 -0.01418 N16 2 0.445203 0.684629 0.881445 11.00000 0.04408 0.06716 = 0.06420 -0.03654 0.00944 -0.01580 N17 2 -0.146258 0.642595 0.721031 11.00000 0.04618 0.07904 = 0.04570 -0.02317 0.00704 -0.01746 N18 2 -0.142775 0.735051 0.664109 11.00000 0.05352 0.07631 = 0.05468 -0.02414 -0.00012 -0.01742 N19 2 -0.152389 0.791032 0.701223 11.00000 0.05571 0.06913 = 0.07267 -0.02467 0.00325 -0.01680 N20 2 -0.154570 0.698701 0.758096 11.00000 0.05769 0.08073 = 0.05010 -0.03133 0.01048 -0.01032 N21 2 0.409117 0.644076 0.548231 11.00000 0.06018 0.12879 = 0.05996 -0.03610 0.01983 -0.04959 N22 2 0.437373 0.730268 0.568635 11.00000 0.06988 0.12364 = 0.06612 -0.03799 0.01794 -0.05479 N23 2 0.351187 0.792123 0.538261 11.00000 0.07710 0.10736 = 0.06573 -0.02828 0.01304 -0.05181 N24 2 0.322168 0.703116 0.517866 11.00000 0.08426 0.12542 = 0.05351 -0.02258 0.00748 -0.06282 N25 2 0.564435 0.337988 0.836151 11.00000 0.03843 0.07585 = 0.04790 -0.02903 -0.00088 -0.00839 N26 2 0.341756 0.365328 0.863506 11.00000 0.03430 0.09365 = 0.05920 -0.03400 0.00319 -0.01441 N27 2 0.161396 0.181450 0.824466 11.00000 0.10228 0.14605 = 0.07157 -0.05679 0.03573 -0.07407 N28 2 0.103051 0.188848 0.697053 11.00000 0.05605 0.09057 = 0.06668 -0.04402 0.01396 -0.02833 N29 2 0.236434 0.359252 0.603975 11.00000 0.04737 0.09454 = 0.06692 -0.04644 0.00447 -0.02553 N30 2 0.386810 0.380539 0.691772 11.00000 0.05731 0.11508 = 0.05834 -0.05584 0.01573 -0.03515 N31 2 0.447165 0.173857 0.868518 11.00000 0.07573 0.09220 = 0.06547 -0.03527 0.02829 -0.02563 N32 2 0.293423 0.164525 0.962509 11.00000 0.06212 0.06685 = 0.05584 -0.03216 0.01892 -0.02113 N33 2 0.059134 0.335587 0.883228 11.00000 0.05083 0.08014 = 0.05282 -0.02858 0.00747 -0.03206 N34 2 0.109537 0.375847 0.754815 11.00000 0.06481 0.11160 = 0.04536 -0.02612 0.01380 -0.03949 N35 2 0.370050 0.188597 0.704024 11.00000 0.07301 0.14012 = 0.07107 -0.05825 0.00925 -0.03277 N36 2 0.589441 0.179497 0.739716 11.00000 0.08062 0.06999 = 0.04743 -0.02686 0.00217 -0.01678 N37 2 0.417890 0.767102 0.807596 11.00000 0.05593 0.06473 = 0.06598 -0.02598 0.00502 -0.02031 N38 2 0.327380 0.778319 0.685612 11.00000 0.06429 0.10066 = 0.07035 -0.02716 0.01470 -0.03661 N39 2 0.169867 0.580879 0.644494 11.00000 0.04325 0.10942 = 0.05291 -0.03001 0.00445 -0.01964 N40 2 -0.054037 0.619221 0.668379 11.00000 0.04467 0.09754 = 0.04649 -0.02741 0.00590 -0.01957 N41 2 -0.077560 0.777525 0.768268 11.00000 0.04624 0.07678 = 0.06274 -0.03024 -0.00005 -0.01018 N42 2 0.146069 0.774771 0.787039 11.00000 0.05514 0.08329 = 0.07193 -0.03117 0.00106 -0.01176 N43 2 0.406310 0.569699 0.753191 11.00000 0.04425 0.09590 = 0.04780 -0.02889 0.01416 -0.02623 N44 2 0.457171 0.613946 0.624465 11.00000 0.07448 0.13141 = 0.05049 -0.04194 0.02563 -0.06616 N45 2 0.219412 0.785540 0.541113 11.00000 0.07352 0.13184 = 0.07387 -0.01849 0.00743 -0.05006 N46 2 0.080108 0.783444 0.643716 11.00000 0.07710 0.10298 = 0.07238 -0.03107 -0.00200 -0.04399 N47 2 0.125252 0.570042 0.815128 11.00000 0.05275 0.08733 = 0.04881 -0.04231 0.01201 -0.02016 N48 2 0.266344 0.607457 0.900740 11.00000 0.04691 0.08015 = 0.04861 -0.03404 0.00551 -0.02198 O1 8 0.341413 0.412637 0.805737 11.00000 0.04190 0.09489 = 0.06152 -0.03008 0.00637 -0.00454 O2 8 0.247545 0.136927 0.803448 11.00000 0.08456 0.13333 = 0.08734 -0.05462 0.02326 -0.03172 O3 8 0.293318 0.420540 0.706252 11.00000 0.06717 0.12570 = 0.08290 -0.07737 0.02799 -0.03702 O4 8 0.377935 0.132045 0.851706 11.00000 0.08768 0.11546 = 0.08876 -0.06888 0.03294 -0.04319 O5 8 0.170474 0.418117 0.779222 11.00000 0.06577 0.09536 = 0.05963 -0.02650 0.02199 -0.04273 O6 8 0.387552 0.135358 0.762120 11.00000 0.10086 0.12144 = 0.07808 -0.03503 0.02895 -0.05103 O7 8 0.427811 0.743002 0.686530 11.00000 0.05699 0.11306 = 0.08347 -0.04722 0.01445 -0.02918 O8 8 0.168092 0.534706 0.702860 11.00000 0.04973 0.10436 = 0.05612 -0.02112 -0.00185 -0.00264 O9 8 0.114566 0.742724 0.841326 11.00000 0.05910 0.09526 = 0.06692 -0.03323 -0.00052 -0.01428 O10 8 0.345055 0.528086 0.728054 11.00000 0.05409 0.09369 = 0.05959 -0.02916 0.01450 -0.03199 O11 8 0.033306 0.754358 0.604373 11.00000 0.07249 0.12048 = 0.07627 -0.01560 -0.01016 -0.04018 O12 8 0.220940 0.527624 0.803895 11.00000 0.05328 0.09239 = 0.05921 -0.04770 0.00682 -0.01749 O13 8 0.321279 -0.025042 0.790596 11.00000 0.20574 0.28178 = 0.14476 -0.11655 0.05554 -0.11296 O14 8 0.343759 -0.052876 0.741983 11.00000 0.20208 0.14011 = 0.21685 -0.10940 0.01738 0.00703 O15 8 0.297402 0.045806 0.735116 11.00000 0.21275 0.13658 = 0.29317 -0.06711 0.10969 -0.08193 O16 8 0.407036 0.305238 0.997429 11.00000 0.11663 0.13203 = 0.06325 -0.02359 -0.01290 -0.02877 O17 8 0.396513 0.307577 0.935624 11.00000 0.09157 0.09781 = 0.06184 -0.03414 0.00309 -0.02896 O18 8 0.497078 0.283590 0.963853 11.00000 0.08290 0.09972 = 0.15611 -0.04571 0.01625 -0.01730 O19 8 1.029726 0.605382 0.859030 11.00000 0.09923 0.08726 = 0.10468 -0.02682 0.03047 -0.02929 O20 8 1.044327 0.507507 0.887597 11.00000 0.18632 0.09292 = 0.12278 -0.05319 0.02087 -0.04227 O21 8 0.951516 0.565787 0.893300 11.00000 0.09952 0.21886 = 0.10828 -0.06771 0.01552 -0.06976 O22 8 0.519611 0.605300 0.758277 11.00000 0.06010 0.09367 = 0.12263 -0.05138 0.01049 -0.03088 O23 8 0.595063 0.616955 0.715050 11.00000 0.09061 0.28203 = 0.07777 -0.06444 0.01800 -0.04688 O24 8 0.614528 0.531938 0.759187 11.00000 0.22089 0.12537 = 0.20174 -0.10099 -0.07948 0.07495 C1A 1 0.758695 0.110580 0.747385 11.00000 0.07018 0.07790 = 0.06926 -0.03290 0.01256 0.01851 C2A 1 0.716270 0.113750 0.720846 11.00000 0.09042 0.09396 = 0.07215 -0.04237 0.01789 -0.00743 C3A 1 0.709875 0.167509 0.694431 11.00000 0.15327 0.08613 = 0.06089 -0.04283 0.01455 0.00551 C4A 1 0.749751 0.195757 0.705254 11.00000 0.11372 0.10657 = 0.09225 -0.03673 0.07074 -0.01977 C5A 1 0.779815 0.162666 0.739682 11.00000 0.06809 0.10760 = 0.09747 -0.05276 0.04511 -0.01378 C6A 1 0.779422 0.060334 0.781280 11.00000 0.07918 0.08109 = 0.09393 -0.01541 0.00852 0.00833 C7A 1 0.681609 0.069581 0.718457 11.00000 0.09354 0.09640 = 0.11465 -0.06397 -0.00634 -0.00705 C8A 1 0.671597 0.188966 0.659270 11.00000 0.19223 0.19189 = 0.04328 -0.02114 -0.00147 0.05462 C9A 1 0.761416 0.251777 0.683280 11.00000 0.12564 0.12934 = 0.13671 -0.04515 0.08531 -0.04746 C10A 1 0.825494 0.171830 0.762140 11.00000 0.09136 0.13299 = 0.15172 -0.06494 0.04175 -0.04516 C1B 1 0.676635 0.385270 0.855027 11.00000 0.07017 0.09098 = 0.08952 -0.05243 -0.02580 -0.01110 C2B 1 0.682089 0.333647 0.884760 11.00000 0.06693 0.15585 = 0.05432 -0.05706 0.00207 -0.04178 C3B 1 0.731583 0.293257 0.879474 11.00000 0.05683 0.11324 = 0.05387 -0.03093 -0.01707 -0.02705 C4B 1 0.754978 0.315505 0.845767 11.00000 0.03793 0.09050 = 0.06638 -0.02961 -0.00444 -0.01996 C5B 1 0.722233 0.374481 0.831602 11.00000 0.07862 0.08698 = 0.07130 -0.03682 -0.02176 -0.02100 C6B 1 0.634365 0.443785 0.849008 11.00000 0.10163 0.12552 = 0.15387 -0.09457 -0.03088 -0.01128 C7B 1 0.643004 0.331474 0.915271 11.00000 0.08144 0.28623 = 0.08023 -0.10406 0.01839 -0.05921 C8B 1 0.756877 0.233709 0.903225 11.00000 0.08562 0.14590 = 0.11109 0.02362 -0.04306 -0.05599 C9B 1 0.805913 0.287049 0.827675 11.00000 0.04451 0.14431 = 0.10282 -0.06180 0.01693 -0.03504 C10B 1 0.733926 0.413791 0.799512 11.00000 0.10505 0.11430 = 0.10522 -0.02096 -0.01709 -0.06619 C1C 1 -0.020858 0.169676 0.665421 11.00000 0.06479 0.13609 = 0.14295 -0.02085 0.00637 -0.04962 C2C 1 -0.033516 0.206812 0.628731 11.00000 0.06302 0.15905 = 0.18666 -0.04678 -0.03168 -0.04608 C3C 1 0.002979 0.181697 0.610252 11.00000 0.10839 0.12094 = 0.13421 -0.02355 -0.04272 -0.06689 C4C 1 0.040530 0.129746 0.627290 11.00000 0.11623 0.14293 = 0.13618 -0.06111 -0.00917 -0.07568 C5C 1 0.021509 0.122066 0.667240 11.00000 0.10273 0.11173 = 0.11898 -0.02008 -0.00696 -0.06502 C6C 1 -0.055554 0.185404 0.695334 11.00000 0.13085 0.23912 = 0.38585 -0.20498 0.13708 -0.12252 C7C 1 -0.078508 0.260766 0.624388 11.00000 0.08877 0.21384 = 0.54327 0.03372 -0.04095 -0.08351 C8C 1 0.007885 0.204406 0.569201 11.00000 0.22861 0.24541 = 0.10797 -0.02891 -0.04869 -0.13023 C9C 1 0.082771 0.087629 0.616322 11.00000 0.18579 0.15477 = 0.24618 -0.12982 0.03396 -0.08642 C10C 1 0.049324 0.069379 0.697424 11.00000 0.14380 0.17588 = 0.16643 0.04333 -0.03865 -0.10380 C1D 1 0.250499 0.366369 0.521358 11.00000 0.05880 0.14902 = 0.06000 -0.03315 0.01331 -0.03413 C2D 1 0.222754 0.326116 0.514797 11.00000 0.11098 0.13760 = 0.05100 -0.04159 0.02704 -0.05103 C3D 1 0.159886 0.341958 0.511528 11.00000 0.08249 0.12843 = 0.04940 -0.02495 0.00762 -0.05890 C4D 1 0.143733 0.400289 0.513590 11.00000 0.05926 0.11429 = 0.06740 -0.02788 -0.00657 -0.02049 C5D 1 0.198345 0.412397 0.519906 11.00000 0.09005 0.11613 = 0.07361 -0.01388 0.01122 -0.05901 C6D 1 0.315840 0.367623 0.526596 11.00000 0.07688 0.18969 = 0.11367 -0.04962 0.01142 -0.06839 C7D 1 0.259682 0.270310 0.511353 11.00000 0.13711 0.16709 = 0.07907 -0.05876 0.00953 -0.00563 C8D 1 0.112431 0.311363 0.505985 11.00000 0.13811 0.16493 = 0.08070 -0.03973 -0.00662 -0.09878 C9D 1 0.077534 0.435880 0.509022 11.00000 0.07097 0.17227 = 0.11607 0.00833 -0.01846 -0.00752 C10D 1 0.207927 0.467213 0.523463 11.00000 0.16420 0.11808 = 0.10925 -0.01354 -0.00058 -0.06775 C1E 1 0.251881 0.089838 1.051451 11.00000 0.06791 0.09121 = 0.05840 -0.01084 0.01142 -0.01868 C2E 1 0.309530 0.099721 1.044493 11.00000 0.06016 0.08481 = 0.05972 -0.01304 -0.00889 -0.00248 C3E 1 0.313811 0.152308 1.048385 11.00000 0.08185 0.10438 = 0.06412 -0.03040 -0.00559 -0.00858 C4E 1 0.257386 0.176348 1.060216 11.00000 0.13262 0.10331 = 0.06056 -0.03879 -0.00609 0.02177 C5E 1 0.216081 0.138862 1.060735 11.00000 0.11515 0.15970 = 0.03932 -0.02015 0.01364 0.04187 C6E 1 0.229038 0.038517 1.051038 11.00000 0.10213 0.12110 = 0.11131 0.01122 -0.02646 -0.04715 C7E 1 0.361417 0.058819 1.034224 11.00000 0.05580 0.09926 = 0.08922 -0.03027 0.00675 0.00755 C8E 1 0.370708 0.177269 1.045413 11.00000 0.15523 0.16665 = 0.09449 -0.05203 -0.02806 -0.04846 C9E 1 0.239816 0.231257 1.069380 11.00000 0.25986 0.15237 = 0.08112 -0.07561 -0.02953 0.04473 C10E 1 0.154791 0.146784 1.072320 11.00000 0.12396 0.26103 = 0.07074 0.00187 0.04014 0.07088 C1F 1 -0.054534 0.283294 0.957143 11.00000 0.05548 0.09244 = 0.07590 -0.02729 0.03004 -0.03679 C2F 1 -0.028653 0.313305 0.978698 11.00000 0.04707 0.10432 = 0.05777 -0.03723 0.02419 -0.02618 C3F 1 -0.034037 0.369553 0.956726 11.00000 0.04711 0.08152 = 0.09832 -0.04753 0.01862 -0.01487 C4F 1 -0.058260 0.374889 0.922009 11.00000 0.04563 0.09598 = 0.08186 0.00038 0.00064 -0.01778 C5F 1 -0.069818 0.319596 0.923747 11.00000 0.04624 0.12053 = 0.08687 -0.04188 0.00462 -0.03982 C6F 1 -0.061924 0.222602 0.971182 11.00000 0.08134 0.08758 = 0.15506 -0.02379 0.05037 -0.03886 C7F 1 -0.003838 0.290973 1.016727 11.00000 0.07010 0.11281 = 0.06525 -0.02126 0.01282 -0.00537 C8F 1 -0.018368 0.418016 0.967336 11.00000 0.07393 0.10023 = 0.12413 -0.06188 0.03157 -0.02783 C9F 1 -0.072251 0.426364 0.890450 11.00000 0.06511 0.16132 = 0.09746 0.02064 0.00163 -0.03316 C10F 1 -0.097822 0.304823 0.892954 11.00000 0.06708 0.20286 = 0.10485 -0.05670 0.00090 -0.06387 C1G 1 0.264387 0.582538 0.983697 11.00000 0.06967 0.10810 = 0.04614 -0.03116 0.00646 -0.03564 C2G 1 0.328089 0.572572 0.991489 11.00000 0.06825 0.08935 = 0.04423 -0.02548 0.00892 -0.02190 C3G 1 0.340619 0.626751 0.992223 11.00000 0.05378 0.12254 = 0.04346 -0.04293 0.00453 -0.02834 C4G 1 0.285125 0.667446 0.985990 11.00000 0.09364 0.09605 = 0.05270 -0.04937 0.01926 -0.02215 C5G 1 0.236633 0.641374 0.978905 11.00000 0.05157 0.11339 = 0.05072 -0.03852 0.02195 -0.01857 C6G 1 0.232577 0.538151 0.981047 11.00000 0.13166 0.13897 = 0.08067 -0.03324 -0.00332 -0.07918 C7G 1 0.374486 0.517369 1.000269 11.00000 0.09757 0.14025 = 0.05711 -0.03726 0.00307 0.01121 C8G 1 0.402175 0.634584 0.999732 11.00000 0.05651 0.13052 = 0.08116 -0.03587 -0.01584 -0.03577 C9G 1 0.274024 0.728321 0.985162 11.00000 0.17651 0.10577 = 0.09286 -0.06727 0.01499 -0.01783 C10G 1 0.167978 0.663425 0.972466 11.00000 0.05554 0.18536 = 0.07930 -0.04666 0.01100 -0.01179 C1H 1 0.525986 0.768560 0.889252 11.00000 0.07007 0.11111 = 0.10825 -0.05826 -0.00860 -0.03836 C2H 1 0.531489 0.790621 0.851682 11.00000 0.06024 0.09594 = 0.12349 -0.05821 0.00661 -0.04645 C3H 1 0.482727 0.845521 0.838814 11.00000 0.09975 0.07678 = 0.11216 -0.02590 -0.00979 -0.04839 C4H 1 0.450919 0.850079 0.869584 11.00000 0.06320 0.09216 = 0.15053 -0.07183 0.02383 -0.03173 C5H 1 0.475768 0.804229 0.898965 11.00000 0.07202 0.08483 = 0.08628 -0.05077 0.00708 -0.03154 C6H 1 0.567042 0.717406 0.912151 11.00000 0.11064 0.12129 = 0.11379 -0.04935 -0.03845 -0.03371 C7H 1 0.580371 0.769700 0.830678 11.00000 0.08330 0.14740 = 0.15080 -0.08326 0.03482 -0.06667 C8H 1 0.473332 0.884867 0.802846 11.00000 0.12303 0.09501 = 0.17181 -0.04948 0.02257 -0.06920 C9H 1 0.402190 0.898768 0.871017 11.00000 0.10572 0.09237 = 0.15359 -0.07177 0.00635 -0.03071 C10H 1 0.454703 0.794388 0.937051 11.00000 0.13258 0.15170 = 0.10241 -0.08021 0.00397 -0.04961 PART 1 51.00 C1I 1 -0.170905 0.624799 0.618983 51.00000 0.04819 0.08200 = 0.05026 -0.03080 0.00529 -0.01926 C2I 1 -0.181196 0.585358 0.650276 51.00000 0.07749 0.10012 = 0.05011 -0.03576 0.01002 -0.05058 C3I 1 -0.227873 0.608625 0.668663 51.00000 0.05116 0.09713 = 0.06868 -0.02750 0.00053 -0.03966 C4I 1 -0.247383 0.667903 0.650044 51.00000 0.02356 0.16113 = 0.08793 -0.08113 0.00232 -0.01179 C5I 1 -0.211026 0.677922 0.617176 51.00000 0.05914 0.10832 = 0.06593 -0.03350 -0.02376 -0.02744 C6I 1 -0.127837 0.614722 0.592228 51.00000 0.09418 0.14494 = 0.07061 -0.06655 0.02421 -0.05286 C7I 1 -0.143425 0.521731 0.662163 51.00000 0.14631 0.11535 = 0.11032 -0.05988 0.03152 -0.06004 C8I 1 -0.249251 0.569658 0.701925 51.00000 0.09389 0.13527 = 0.07308 -0.02369 0.00688 -0.04852 C9I 1 -0.293754 0.704844 0.664278 51.00000 0.04141 0.20359 = 0.16675 -0.12301 -0.00234 -0.00316 C10I 1 -0.216432 0.729451 0.586742 51.00000 0.14584 0.12001 = 0.11266 -0.04309 -0.06597 -0.01382 PART 2 -51.00 AFIX 9 C11I 1 -0.180479 0.647464 0.612252 -51.00000 0.05927 C12I 1 -0.224066 0.677819 0.629521 -51.00000 0.09413 C13I 1 -0.234308 0.639466 0.661596 -51.00000 0.06657 C14I 1 -0.197050 0.585406 0.664152 -51.00000 0.11993 C15I 1 -0.163781 0.590349 0.633656 -51.00000 0.11037 AFIX 0 C16I 1 -0.142147 0.658451 0.580901 -51.00000 0.10832 C17I 1 -0.250102 0.737108 0.609687 -51.00000 0.08536 C18I 1 -0.268550 0.629412 0.693237 -51.00000 0.10640 C19I 1 -0.193013 0.521795 0.683223 -51.00000 0.09401 C20I 1 -0.110233 0.538771 0.630083 -51.00000 0.14671 PART 0 C1J 1 -0.202169 0.834628 0.793532 11.00000 0.05637 0.11251 = 0.10304 -0.06705 0.01926 -0.01132 C2J 1 -0.216225 0.870189 0.757741 11.00000 0.07321 0.08585 = 0.11730 -0.05211 0.02107 0.00245 C3J 1 -0.258339 0.850196 0.739581 11.00000 0.06081 0.10726 = 0.09970 -0.02923 -0.00347 0.02298 C4J 1 -0.267619 0.800387 0.764781 11.00000 0.04792 0.11173 = 0.12101 -0.06816 0.02532 -0.01173 C5J 1 -0.233406 0.788620 0.797391 11.00000 0.08123 0.11350 = 0.07351 -0.04655 0.03502 -0.01858 C6J 1 -0.163030 0.845147 0.819915 11.00000 0.10323 0.17273 = 0.11429 -0.09812 0.01557 -0.01113 C7J 1 -0.192824 0.927276 0.743215 11.00000 0.22570 0.09183 = 0.16004 -0.04862 0.09475 -0.02019 C8J 1 -0.287771 0.874718 0.702891 11.00000 0.11651 0.21167 = 0.10390 -0.03561 -0.02230 0.05854 C9J 1 -0.310169 0.766931 0.756430 11.00000 0.09708 0.13966 = 0.15270 -0.09566 0.02370 -0.04627 C10J 1 -0.238235 0.743646 0.830252 11.00000 0.15719 0.12834 = 0.08547 -0.02948 0.05468 0.00166 PART 1 AFIX 9 C1K 1 0.563731 0.671048 0.541676 31.00000 0.06611 0.14559 = 0.06989 -0.03588 0.04524 -0.07487 C2K 1 0.587304 0.652654 0.577325 31.00000 0.06750 0.11682 = 0.07434 -0.02996 -0.01504 -0.02459 C3K 1 0.587536 0.594590 0.591508 31.00000 0.10425 0.10211 = 0.09214 -0.01771 0.05051 -0.02767 C4K 1 0.564086 0.577115 0.564631 31.00000 0.07018 0.10963 = 0.12559 -0.04446 0.00271 -0.04996 C5K 1 0.549392 0.624366 0.533838 31.00000 0.05939 0.21874 = 0.06697 -0.08961 0.03912 -0.06075 C6K 1 0.555401 0.729905 0.516552 31.00000 0.13678 0.17473 = 0.12356 -0.00417 0.08032 -0.07559 AFIX 5 C7K 1 0.608433 0.688522 0.596732 31.00000 0.09649 0.19702 = 0.20322 -0.09369 -0.00576 -0.08978 C8K 1 0.608930 0.557910 0.628626 31.00000 0.33944 0.11746 = 0.07440 -0.04792 0.00150 0.00417 C9K 1 0.556194 0.518564 0.568174 31.00000 0.12604 0.17386 = 0.38527 -0.14850 0.04449 -0.07852 C10K 1 0.523106 0.624858 0.498898 31.00000 0.08461 0.22362 = 0.08459 -0.07627 0.02368 -0.06967 PART 2 C11K 1 0.554513 0.669514 0.532536 -31.00000 0.07059 0.13321 = 0.09725 -0.05975 0.00839 -0.03248 C12K 1 0.575319 0.677362 0.563934 -31.00000 0.03140 0.11498 = 0.10693 -0.02071 -0.01463 -0.03553 C13K 1 0.587123 0.624482 0.590684 -31.00000 0.04735 0.12583 = 0.05967 -0.02276 -0.02486 -0.01686 C14K 1 0.573619 0.583946 0.575807 -31.00000 0.06026 0.10078 = 0.06815 -0.01690 0.03894 -0.03369 C15K 1 0.553457 0.611784 0.539879 -31.00000 0.05484 0.12019 = 0.08545 -0.02992 -0.00482 -0.03600 C16K 1 0.536635 0.714601 0.497535 -31.00000 0.08807 0.15555 = 0.11163 -0.00135 0.02282 -0.05277 C17K 1 0.583448 0.732273 0.568150 -31.00000 0.08121 0.09772 = 0.30939 -0.10171 0.05468 -0.02903 C18K 1 0.610030 0.613322 0.628291 -31.00000 0.04663 0.23448 = 0.07335 -0.09170 -0.01554 -0.00664 C19K 1 0.579640 0.522152 0.594846 -31.00000 0.71752 0.25581 = 0.37337 -0.18520 -0.13667 -0.17391 C20K 1 0.534296 0.584727 0.514035 -31.00000 0.13829 0.26695 = 0.15101 -0.10264 0.05870 0.02453 PART 0 AFIX 0 C1L 1 0.294769 0.868435 0.461153 11.00000 0.16507 0.16580 = 0.07582 0.01844 -0.02667 -0.06822 C2L 1 0.309347 0.823500 0.448641 11.00000 0.09861 0.15023 = 0.05642 -0.01069 0.00603 -0.02935 C3L 1 0.251149 0.803088 0.446782 11.00000 0.19738 0.12537 = 0.06367 -0.02360 -0.03129 -0.04271 C4L 1 0.206298 0.842473 0.458928 11.00000 0.09022 0.22697 = 0.10566 0.04622 -0.01650 -0.01478 C5L 1 0.234611 0.875775 0.465021 11.00000 0.16702 0.16449 = 0.13436 0.03157 0.00404 -0.02558 C6L 1 0.341108 0.900995 0.459841 11.00000 0.30348 0.19163 = 0.21408 -0.04354 -0.05814 -0.12137 C7L 1 0.372892 0.798132 0.434883 11.00000 0.20931 0.29106 = 0.12449 -0.03515 -0.04769 0.04544 C8L 1 0.239738 0.750071 0.435603 11.00000 0.38228 0.22751 = 0.17642 -0.06529 -0.09552 -0.11205 C9L 1 0.147383 0.831975 0.461915 11.00000 0.12043 0.29019 = 0.26000 0.07735 -0.01365 -0.02516 C10L 1 0.215090 0.923684 0.477592 11.00000 0.87112 0.15361 = 0.10839 -0.01423 0.11522 -0.03713 C1 1 0.673306 0.224143 0.804880 11.00000 0.04629 0.07086 = 0.04371 -0.02223 0.00022 -0.01427 C2 1 0.665152 0.273044 0.775702 11.00000 0.03961 0.07558 = 0.04296 -0.02674 0.00915 -0.00625 C3 1 0.636760 0.327902 0.722942 11.00000 0.05633 0.08577 = 0.04339 -0.02414 0.00302 -0.02056 C4 1 0.615491 0.350815 0.687489 11.00000 0.12523 0.09079 = 0.05534 -0.02029 -0.00590 -0.03172 C5 1 0.590129 0.407931 0.675357 11.00000 0.09927 0.08707 = 0.06847 -0.00848 -0.01417 -0.02296 C6 1 0.589935 0.442383 0.698684 11.00000 0.11330 0.06626 = 0.07644 -0.01267 -0.01586 -0.02507 C7 1 0.612305 0.419363 0.734082 11.00000 0.08625 0.07573 = 0.06411 -0.02597 0.00692 -0.02244 C8 1 0.634157 0.361079 0.746306 11.00000 0.05204 0.06942 = 0.05145 -0.02266 0.00545 -0.01511 C9 1 0.663158 0.174288 0.857502 11.00000 0.04997 0.07660 = 0.05176 -0.02790 0.00300 -0.00309 C10 1 0.652362 0.152886 0.892683 11.00000 0.07535 0.09392 = 0.04696 -0.02165 -0.00463 -0.00690 C11 1 0.649537 0.097394 0.904862 11.00000 0.11048 0.06612 = 0.05518 -0.00366 0.00659 -0.01670 C12 1 0.659239 0.061132 0.880981 11.00000 0.09605 0.06748 = 0.05814 -0.01639 -0.00756 -0.00841 C13 1 0.667081 0.082514 0.846440 11.00000 0.08438 0.06232 = 0.06010 -0.01833 -0.00655 -0.00368 C14 1 0.670789 0.140141 0.833072 11.00000 0.07271 0.07390 = 0.04565 -0.02382 -0.00013 -0.00257 C15 1 0.104269 0.291071 0.608104 11.00000 0.05118 0.08091 = 0.06669 -0.02044 -0.00615 -0.02842 C16 1 0.150602 0.245951 0.606198 11.00000 0.05006 0.08368 = 0.06028 -0.03083 0.00445 -0.02736 C17 1 0.205693 0.160085 0.622766 11.00000 0.08033 0.07550 = 0.08134 -0.03694 0.02375 -0.02496 C18 1 0.232273 0.101862 0.639128 11.00000 0.12313 0.10850 = 0.12880 -0.06187 0.02652 0.00193 C19 1 0.295493 0.083861 0.630983 11.00000 0.10517 0.09487 = 0.15514 -0.03691 0.03253 0.00198 C20 1 0.326093 0.117992 0.613747 11.00000 0.10683 0.13203 = 0.14064 -0.04977 0.02465 0.01167 C21 1 0.302682 0.178378 0.597628 11.00000 0.08868 0.10305 = 0.10852 -0.05241 0.04370 -0.01088 C22 1 0.241184 0.196177 0.603103 11.00000 0.07122 0.10226 = 0.07547 -0.04557 0.01303 -0.02586 PART 3 41.00 C23 1 0.061566 0.379901 0.606090 41.00000 0.06231 0.09143 = 0.13320 -0.03974 0.04106 -0.01437 C24 1 0.041807 0.434797 0.595162 41.00000 0.08631 0.07833 = 0.20504 0.00119 0.07271 -0.00940 C25 1 -0.014017 0.455366 0.611902 41.00000 0.20146 0.04216 = 0.42096 -0.01520 0.21203 -0.01702 C26 1 -0.055935 0.417197 0.652100 41.00000 0.15087 0.25942 = 0.28642 0.02040 -0.02824 -0.10973 C27 1 -0.019497 0.359082 0.642975 41.00000 0.11447 0.09312 = 0.18719 -0.05903 0.10562 -0.00783 C28 1 0.028182 0.340470 0.624450 41.00000 0.05077 0.10777 = 0.15244 -0.02161 0.07290 0.00720 PART 4 -41.00 C23' 1 0.061566 0.379901 0.606090 -41.00000 0.06231 0.09143 = 0.13320 -0.03974 0.04106 -0.01437 C24' 1 0.049634 0.434798 0.608907 -41.00000 0.04846 0.09424 = 0.08681 -0.01367 -0.00766 -0.03618 C25' 1 0.008054 0.455584 0.627926 -41.00000 0.14485 0.15161 = 0.16642 0.10237 0.09385 0.09509 C26' 1 -0.026703 0.417359 0.647019 -41.00000 0.06123 0.09279 = 0.11068 -0.00178 0.05671 0.00974 C27' 1 -0.010547 0.362650 0.656557 -41.00000 0.08276 0.09815 = 0.04224 -0.01659 0.03834 0.01146 C28' 1 0.027547 0.344905 0.637344 -41.00000 0.11695 0.08773 = 0.07995 0.04160 -0.03427 -0.00669 PART 0 C29 1 0.145274 0.261042 0.971910 11.00000 0.05452 0.06805 = 0.04572 -0.02756 0.00923 -0.02100 C30 1 0.127535 0.212294 0.967294 11.00000 0.05600 0.05452 = 0.05306 -0.01792 0.01061 -0.01870 C31 1 0.135205 0.131051 0.961433 11.00000 0.07673 0.06555 = 0.06913 -0.02279 0.01762 -0.02392 C32 1 0.152527 0.073763 0.961462 11.00000 0.10133 0.08015 = 0.10959 -0.04745 0.03845 -0.04342 C33 1 0.117480 0.056401 0.940679 11.00000 0.09249 0.08162 = 0.14279 -0.04751 0.02698 -0.03076 C34 1 0.066262 0.091738 0.921825 11.00000 0.12375 0.10258 = 0.10857 -0.04661 0.01273 -0.06369 C35 1 0.044311 0.150288 0.919976 11.00000 0.11229 0.11208 = 0.08763 -0.05344 0.02388 -0.06927 C36 1 0.081318 0.168132 0.940882 11.00000 0.08664 0.07712 = 0.06733 -0.03801 0.02446 -0.04497 C37 1 0.149448 0.347980 0.962028 11.00000 0.04381 0.07606 = 0.07203 -0.03797 -0.00266 -0.01312 C38 1 0.143771 0.406409 0.950889 11.00000 0.05958 0.06871 = 0.10563 -0.03800 -0.00270 -0.00577 C39 1 0.191050 0.427219 0.955282 11.00000 0.09472 0.07232 = 0.23047 -0.08653 0.01161 -0.02963 C40 1 0.248606 0.391915 0.972430 11.00000 0.07312 0.08564 = 0.26576 -0.08191 -0.04732 -0.01959 C41 1 0.256824 0.332852 0.984094 11.00000 0.06341 0.09657 = 0.13787 -0.07745 0.00322 -0.01540 C42 1 0.205850 0.311083 0.979163 11.00000 0.05365 0.07332 = 0.07476 -0.03736 -0.00404 -0.00527 C43 1 0.395180 0.678711 0.897595 11.00000 0.04187 0.07530 = 0.06344 -0.03761 -0.00272 -0.01369 C44 1 0.344712 0.727241 0.892401 11.00000 0.05478 0.06490 = 0.05685 -0.03825 -0.00264 -0.01525 C45 1 0.253156 0.774313 0.890204 11.00000 0.04135 0.07030 = 0.07977 -0.04068 -0.00685 -0.00887 C46 1 0.189418 0.794610 0.891833 11.00000 0.04796 0.08210 = 0.10229 -0.04809 0.00534 -0.00390 C47 1 0.164243 0.851010 0.872226 11.00000 0.06082 0.10661 = 0.10943 -0.05435 -0.00253 0.00387 C48 1 0.199894 0.885838 0.851233 11.00000 0.07396 0.08245 = 0.12790 -0.03559 -0.01511 -0.00240 C49 1 0.260861 0.865383 0.851916 11.00000 0.06019 0.07537 = 0.11179 -0.04333 0.00763 -0.01459 C50 1 0.288120 0.810624 0.870240 11.00000 0.05665 0.06834 = 0.08002 -0.03866 -0.00398 -0.01532 C51 1 0.481345 0.628851 0.889829 11.00000 0.03919 0.06772 = 0.05720 -0.03624 0.00703 -0.01631 C52 1 0.538916 0.606238 0.880584 11.00000 0.04912 0.08885 = 0.07326 -0.04200 0.01293 -0.01162 C53 1 0.561296 0.547803 0.893075 11.00000 0.04838 0.09235 = 0.08428 -0.04379 0.00310 -0.00731 C54 1 0.526406 0.512998 0.913151 11.00000 0.05611 0.07913 = 0.07276 -0.03529 0.01053 -0.00497 C55 1 0.468253 0.534108 0.922627 11.00000 0.05594 0.07346 = 0.05813 -0.02702 0.00380 -0.00904 C56 1 0.444988 0.593538 0.910998 11.00000 0.03962 0.07469 = 0.05253 -0.03874 0.00417 -0.01510 C21I 1 -0.153178 0.692626 0.725727 11.00000 0.04144 0.07314 = 0.04899 -0.02479 0.00547 -0.01492 C58 1 -0.151884 0.741752 0.696174 11.00000 0.03870 0.07187 = 0.05028 -0.02264 0.00348 -0.01474 C59 1 -0.134883 0.788703 0.644988 11.00000 0.06141 0.07905 = 0.05448 -0.02436 -0.00724 -0.01251 C60 1 -0.121858 0.807361 0.609048 11.00000 0.09573 0.08595 = 0.06927 -0.00273 -0.00595 -0.03981 C61 1 -0.113140 0.863999 0.597358 11.00000 0.11857 0.10283 = 0.08897 -0.00148 -0.00004 -0.05998 C62 1 -0.121800 0.899403 0.621560 11.00000 0.15655 0.09227 = 0.08843 -0.01282 0.00672 -0.04563 C63 1 -0.135517 0.878415 0.655102 11.00000 0.10420 0.06779 = 0.09801 -0.01025 -0.00317 -0.01870 C64 1 -0.141416 0.823213 0.667650 11.00000 0.05765 0.08016 = 0.06165 -0.02218 0.00260 -0.01386 C65 1 -0.146870 0.642723 0.778450 11.00000 0.07806 0.06657 = 0.05391 -0.02310 0.00773 -0.02420 C66 1 -0.142669 0.617243 0.815065 11.00000 0.09969 0.09091 = 0.05712 -0.01709 0.00229 -0.01805 C67 1 -0.138972 0.559423 0.827738 11.00000 0.15888 0.08883 = 0.06640 -0.02821 0.00113 -0.04432 C68 1 -0.134684 0.524966 0.804462 11.00000 0.14094 0.07788 = 0.06919 -0.01574 0.00860 -0.01601 C69 1 -0.137925 0.547994 0.768176 11.00000 0.09966 0.07256 = 0.07342 -0.03183 0.01432 -0.03062 C70 1 -0.143464 0.607348 0.755668 11.00000 0.06877 0.06712 = 0.05824 -0.01815 0.00236 -0.01958 C71 1 0.375165 0.694928 0.536736 11.00000 0.07682 0.11425 = 0.05890 -0.03426 0.02170 -0.05725 C72 1 0.388990 0.738980 0.546841 11.00000 0.06817 0.13332 = 0.05021 -0.02871 0.01795 -0.05003 C73 1 0.430786 0.782164 0.575913 11.00000 0.10036 0.14537 = 0.06836 -0.04356 0.02874 -0.07075 C74 1 0.465705 0.799369 0.598420 11.00000 0.12872 0.12032 = 0.07961 -0.04681 0.02109 -0.06985 C75 1 0.447833 0.852090 0.601156 11.00000 0.11211 0.12052 = 0.13481 -0.04773 0.02524 -0.05316 C76 1 0.390570 0.893337 0.582089 11.00000 0.18258 0.10518 = 0.14043 -0.04781 0.02758 -0.06915 C77 1 0.355466 0.877232 0.558309 11.00000 0.09358 0.11910 = 0.09826 -0.02888 0.01165 -0.04610 C78 1 0.377586 0.821094 0.557366 11.00000 0.10426 0.10852 = 0.07183 -0.02978 0.01196 -0.05957 C79 1 0.322197 0.650207 0.515491 11.00000 0.07395 0.13819 = 0.05877 -0.02958 0.01085 -0.05335 C80 1 0.283432 0.625820 0.499061 11.00000 0.11143 0.15277 = 0.11235 -0.04713 0.01520 -0.08657 C81 1 0.298483 0.571720 0.501264 11.00000 0.12821 0.14777 = 0.12275 -0.01785 -0.03681 -0.07754 C82 1 0.352163 0.533046 0.520380 11.00000 0.15734 0.15628 = 0.12168 -0.05275 0.01232 -0.08938 C83 1 0.389092 0.553185 0.538388 11.00000 0.08833 0.14337 = 0.11725 -0.06385 0.01406 -0.05222 C84 1 0.378668 0.611265 0.535404 11.00000 0.09502 0.15324 = 0.06536 -0.05089 0.02184 -0.07556 C85 1 0.531892 0.384756 0.814115 11.00000 0.04770 0.07440 = 0.05732 -0.02610 0.00463 -0.02130 C86 1 0.469133 0.402164 0.812800 11.00000 0.04610 0.07224 = 0.05244 -0.02740 0.00088 -0.00599 C87 1 0.437640 0.368073 0.836337 11.00000 0.05143 0.07916 = 0.05170 -0.03751 0.01113 -0.01837 C88 1 0.471522 0.319131 0.860729 11.00000 0.04316 0.07624 = 0.05714 -0.03111 0.00238 -0.00644 C89 1 0.534732 0.304218 0.859332 11.00000 0.04920 0.07336 = 0.04754 -0.02314 0.00356 -0.00821 C90 1 0.369045 0.383830 0.834017 11.00000 0.04556 0.07103 = 0.06092 -0.02761 -0.00274 -0.01306 C91 1 0.275450 0.373349 0.864836 11.00000 0.03629 0.08966 = 0.07004 -0.04274 0.01185 -0.00977 C92 1 0.254540 0.320873 0.863255 11.00000 0.03984 0.08507 = 0.05429 -0.02970 0.00475 -0.01609 C93 1 0.269954 0.296795 0.835614 11.00000 0.05303 0.09749 = 0.05531 -0.03105 0.01558 -0.02887 C94 1 0.250774 0.249909 0.834032 11.00000 0.07372 0.09001 = 0.05976 -0.03226 0.01540 -0.03282 C95 1 0.216454 0.223183 0.860828 11.00000 0.07069 0.09286 = 0.05722 -0.03531 0.01496 -0.03058 C96 1 0.201049 0.247218 0.887739 11.00000 0.05808 0.10433 = 0.05377 -0.03649 0.01648 -0.03031 C97 1 0.220538 0.295190 0.889443 11.00000 0.05618 0.09518 = 0.05000 -0.03434 0.01071 -0.01831 C98 1 0.194785 0.170674 0.858395 11.00000 0.12234 0.13405 = 0.05704 -0.05016 0.03443 -0.08687 C99 1 0.193593 0.161029 0.799076 11.00000 0.08442 0.09152 = 0.07447 -0.04048 0.02278 -0.03552 C100 1 0.152209 0.145404 0.710508 11.00000 0.06026 0.09139 = 0.07213 -0.03470 0.00287 -0.02509 C101 1 0.180886 0.136202 0.743893 11.00000 0.06865 0.09357 = 0.06879 -0.04797 0.01223 -0.02538 C102 1 0.159152 0.171628 0.764720 11.00000 0.06499 0.10634 = 0.07625 -0.05437 0.02625 -0.04483 C103 1 0.106393 0.215613 0.750820 11.00000 0.07598 0.10024 = 0.08750 -0.05776 0.03432 -0.03688 C104 1 0.081865 0.223763 0.717401 11.00000 0.07575 0.09969 = 0.08558 -0.05164 0.03440 -0.03927 C105 1 0.290260 0.327550 0.618420 11.00000 0.04990 0.09615 = 0.06291 -0.04903 0.01666 -0.02586 C106 1 0.322904 0.337436 0.644473 11.00000 0.05414 0.09093 = 0.06226 -0.04044 0.00530 -0.02441 C107 1 0.297032 0.384524 0.656961 11.00000 0.05841 0.09722 = 0.06485 -0.05565 0.02475 -0.03622 C108 1 0.241268 0.417264 0.642037 11.00000 0.05731 0.09516 = 0.07959 -0.05663 0.02746 -0.03510 C109 1 0.211615 0.404145 0.615234 11.00000 0.06395 0.08796 = 0.07950 -0.05166 0.01913 -0.03168 C110 1 0.325963 0.397267 0.686720 11.00000 0.06194 0.09037 = 0.07065 -0.04397 0.01502 -0.03823 C111 1 0.423544 0.382471 0.723152 11.00000 0.05250 0.11153 = 0.08154 -0.06385 0.01724 -0.04072 C112 1 0.437916 0.328953 0.751411 11.00000 0.05033 0.11035 = 0.05656 -0.05119 0.01770 -0.03297 C113 1 0.392629 0.301082 0.767935 11.00000 0.05535 0.09452 = 0.07813 -0.05128 0.02477 -0.03407 C114 1 0.407259 0.252410 0.794134 11.00000 0.05003 0.11384 = 0.07884 -0.04781 0.01267 -0.02687 C115 1 0.468433 0.226003 0.808039 11.00000 0.05168 0.08826 = 0.06341 -0.04186 0.02014 -0.02259 C116 1 0.512976 0.252702 0.793259 11.00000 0.05617 0.10428 = 0.06256 -0.04905 0.01385 -0.03374 C117 1 0.497200 0.303758 0.765402 11.00000 0.04993 0.12493 = 0.06896 -0.05852 0.01622 -0.03903 C118 1 0.483146 0.172159 0.837832 11.00000 0.05901 0.10953 = 0.06793 -0.04966 0.02579 -0.01914 C119 1 0.397459 0.152763 0.873286 11.00000 0.07096 0.08200 = 0.07366 -0.04677 0.02943 -0.02757 C120 1 0.295636 0.121642 0.946980 11.00000 0.07447 0.06539 = 0.06604 -0.02670 0.02136 -0.02086 C121 1 0.328972 0.116963 0.919317 11.00000 0.07100 0.07441 = 0.07195 -0.04265 0.01882 -0.02794 C122 1 0.363127 0.157389 0.905564 11.00000 0.06552 0.08124 = 0.06775 -0.04020 0.01867 -0.02583 C123 1 0.361770 0.199533 0.920912 11.00000 0.06175 0.09099 = 0.08008 -0.04822 0.03275 -0.02848 C124 1 0.326066 0.202675 0.948839 11.00000 0.05745 0.07840 = 0.06648 -0.04492 0.02060 -0.01884 C125 1 0.077897 0.383553 0.873344 11.00000 0.05125 0.07632 = 0.05393 -0.02445 0.01562 -0.02462 C126 1 0.100958 0.402446 0.840291 11.00000 0.04628 0.09133 = 0.06445 -0.02548 0.00709 -0.03365 C127 1 0.102195 0.371828 0.816860 11.00000 0.05194 0.07721 = 0.05640 -0.02667 0.01194 -0.03022 C128 1 0.080054 0.321637 0.826350 11.00000 0.08320 0.08993 = 0.04630 -0.01983 0.01470 -0.04757 C129 1 0.060576 0.304544 0.860201 11.00000 0.06510 0.08606 = 0.06060 -0.03749 0.02356 -0.04185 C130 1 0.129907 0.390887 0.781600 11.00000 0.05233 0.08398 = 0.05936 -0.02931 0.01258 -0.02877 C131 1 0.136217 0.385519 0.719373 11.00000 0.08806 0.12222 = 0.03906 -0.02269 0.01446 -0.05800 C132 1 0.177571 0.335753 0.714548 11.00000 0.05281 0.11502 = 0.04725 -0.03094 0.01316 -0.04176 C133 1 0.230174 0.304614 0.739477 11.00000 0.09032 0.10046 = 0.04283 -0.02627 -0.00402 -0.04247 C134 1 0.267997 0.258223 0.735268 11.00000 0.08045 0.11083 = 0.06067 -0.04488 0.01685 -0.04567 C135 1 0.261563 0.238722 0.706316 11.00000 0.06783 0.12979 = 0.06540 -0.05216 0.02116 -0.04942 C136 1 0.210397 0.269245 0.681533 11.00000 0.07123 0.17345 = 0.06776 -0.06778 0.01924 -0.07053 C137 1 0.170610 0.313243 0.687011 11.00000 0.07466 0.11867 = 0.05380 -0.03549 0.01170 -0.04975 C138 1 0.305950 0.185835 0.701236 11.00000 0.08215 0.10930 = 0.10275 -0.06207 0.01733 -0.04387 C139 1 0.406641 0.163948 0.733839 11.00000 0.08342 0.10890 = 0.06789 -0.04525 0.01914 -0.03429 C140 1 0.571630 0.134617 0.760819 11.00000 0.09011 0.07346 = 0.05290 -0.02516 0.00139 -0.02151 C141 1 0.514162 0.128073 0.759917 11.00000 0.09075 0.09321 = 0.06443 -0.03424 0.01669 -0.02428 C142 1 0.468937 0.170214 0.734058 11.00000 0.09511 0.08672 = 0.05211 -0.03735 0.01750 -0.03203 C143 1 0.489515 0.214079 0.712557 11.00000 0.07003 0.08340 = 0.06273 -0.03323 0.00355 -0.01956 C144 1 0.549729 0.218133 0.716095 11.00000 0.07657 0.08145 = 0.04973 -0.02381 0.00375 -0.02386 C145 1 0.451279 0.728369 0.794826 11.00000 0.05242 0.09140 = 0.07531 -0.03947 0.00588 -0.02155 C146 1 0.440287 0.726083 0.760395 11.00000 0.05480 0.07727 = 0.06647 -0.03480 0.00612 -0.02517 C147 1 0.391955 0.764686 0.739482 11.00000 0.05512 0.09477 = 0.06636 -0.03290 0.01480 -0.03665 C148 1 0.355861 0.805805 0.752289 11.00000 0.06119 0.07181 = 0.07510 -0.02791 0.01224 -0.02376 C149 1 0.370687 0.806429 0.787052 11.00000 0.05038 0.07426 = 0.07974 -0.03027 0.00489 -0.01950 C150 1 0.383719 0.761765 0.701592 11.00000 0.05263 0.08567 = 0.06635 -0.02027 0.00496 -0.03135 C151 1 0.315340 0.775228 0.650298 11.00000 0.06707 0.10249 = 0.06182 -0.01519 0.00408 -0.03375 C152 1 0.295737 0.722506 0.649653 11.00000 0.05444 0.11485 = 0.04438 -0.01924 0.00851 -0.02941 C153 1 0.304486 0.701659 0.619510 11.00000 0.08452 0.11287 = 0.04173 -0.02333 0.01818 -0.03959 C154 1 0.284401 0.655309 0.617199 11.00000 0.07206 0.12324 = 0.05018 -0.02914 0.01465 -0.03625 C155 1 0.257382 0.625376 0.645091 11.00000 0.04477 0.10257 = 0.04800 -0.02439 0.00565 -0.01968 C156 1 0.250783 0.642863 0.675178 11.00000 0.06153 0.09267 = 0.05953 -0.03630 0.01789 -0.03030 C157 1 0.268621 0.691309 0.677294 11.00000 0.05804 0.11484 = 0.05776 -0.03542 0.01833 -0.02837 C158 1 0.236567 0.572083 0.643681 11.00000 0.03702 0.09720 = 0.06255 -0.02993 0.01171 -0.01848 C159 1 0.141609 0.562623 0.673686 11.00000 0.04358 0.07477 = 0.04922 -0.02506 0.01057 -0.00644 C160 1 -0.024287 0.571894 0.692022 11.00000 0.05199 0.07525 = 0.05551 -0.02629 0.01002 -0.01598 C161 1 0.039168 0.551183 0.694782 11.00000 0.05377 0.07617 = 0.05208 -0.02425 0.00547 -0.00758 C162 1 0.072126 0.581434 0.670395 11.00000 0.04019 0.07994 = 0.04815 -0.02390 0.00443 -0.01296 C163 1 0.041621 0.629159 0.644344 11.00000 0.04117 0.08979 = 0.06515 -0.02492 0.00725 -0.01336 C164 1 -0.021063 0.648844 0.644789 11.00000 0.04627 0.10309 = 0.05467 -0.02348 0.00749 -0.02709 C165 1 -0.051381 0.735775 0.799015 11.00000 0.06063 0.07192 = 0.07247 -0.02083 -0.00744 -0.01562 C166 1 0.006835 0.730999 0.811771 11.00000 0.05026 0.07945 = 0.08521 -0.02219 -0.00453 -0.02025 C167 1 0.040992 0.767009 0.792578 11.00000 0.05337 0.06793 = 0.06600 -0.02737 0.00421 -0.01179 C168 1 0.014417 0.808525 0.762076 11.00000 0.07089 0.08291 = 0.06626 -0.02690 0.01905 -0.01722 C169 1 -0.045344 0.812649 0.750903 11.00000 0.05084 0.08789 = 0.06754 -0.03443 0.00976 -0.01652 C170 1 0.104590 0.761021 0.808881 11.00000 0.05658 0.06624 = 0.07454 -0.03341 0.00254 -0.01696 C171 1 0.210230 0.768688 0.798122 11.00000 0.05591 0.10920 = 0.07022 -0.05153 0.00710 -0.02141 C172 1 0.252818 0.713042 0.795868 11.00000 0.04708 0.09264 = 0.05011 -0.03279 0.01075 -0.02465 C173 1 0.240989 0.686176 0.771770 11.00000 0.05474 0.10954 = 0.06177 -0.04057 -0.00394 -0.01433 C174 1 0.280683 0.635893 0.769445 11.00000 0.05258 0.10765 = 0.05920 -0.04307 -0.00328 -0.01547 C175 1 0.336464 0.613655 0.791049 11.00000 0.04442 0.09371 = 0.04316 -0.02595 0.00951 -0.03332 C176 1 0.348017 0.641873 0.815078 11.00000 0.05415 0.09129 = 0.04385 -0.02377 0.00946 -0.02634 C177 1 0.306326 0.689049 0.818005 11.00000 0.05301 0.09000 = 0.04998 -0.02723 0.00168 -0.02462 C178 1 0.378217 0.560057 0.788026 11.00000 0.05612 0.09395 = 0.04298 -0.02366 0.01261 -0.02180 C179 1 0.386763 0.554130 0.726051 11.00000 0.04778 0.07369 = 0.06033 -0.02738 0.01537 -0.02055 C180 1 0.433952 0.568184 0.631885 11.00000 0.05610 0.11003 = 0.06271 -0.04051 0.01957 -0.04059 C181 1 0.412220 0.547055 0.665313 11.00000 0.05546 0.09179 = 0.05454 -0.03353 0.01287 -0.03351 C182 1 0.414497 0.573800 0.691425 11.00000 0.04614 0.08507 = 0.06509 -0.03524 0.01551 -0.02847 C183 1 0.438912 0.620801 0.683229 11.00000 0.07971 0.09293 = 0.06166 -0.03443 0.01870 -0.04747 C184 1 0.458409 0.640174 0.649222 11.00000 0.08419 0.12049 = 0.05899 -0.04470 0.02283 -0.05476 C185 1 0.186838 0.744243 0.546072 11.00000 0.09426 0.11617 = 0.06943 -0.01745 -0.00251 -0.06288 C186 1 0.140500 0.740411 0.568573 11.00000 0.08208 0.12883 = 0.06012 -0.02750 0.00224 -0.05072 C187 1 0.128986 0.776351 0.589165 11.00000 0.07708 0.10093 = 0.06616 -0.01060 -0.01810 -0.03779 C188 1 0.160375 0.816601 0.586238 11.00000 0.08305 0.10154 = 0.06819 -0.02080 -0.00107 -0.03252 C189 1 0.207466 0.818430 0.561515 11.00000 0.09092 0.10286 = 0.07947 -0.02446 0.00849 -0.04701 C190 1 0.076483 0.769702 0.613934 11.00000 0.06479 0.07379 = 0.07047 -0.00520 -0.00658 -0.01908 C191 1 0.034160 0.777199 0.669074 11.00000 0.05449 0.09648 = 0.08485 -0.03019 -0.00121 -0.01517 C192 1 0.049730 0.720190 0.698920 11.00000 0.05572 0.09515 = 0.04908 -0.03222 -0.00303 -0.02248 C193 1 0.108838 0.692135 0.708511 11.00000 0.04135 0.12492 = 0.07174 -0.03641 0.00753 -0.02419 C194 1 0.122825 0.639863 0.736794 11.00000 0.04107 0.09856 = 0.06009 -0.03234 0.00426 -0.01367 C195 1 0.076275 0.619602 0.755155 11.00000 0.03397 0.10641 = 0.06009 -0.04407 0.00266 -0.02011 C196 1 0.015859 0.650983 0.744222 11.00000 0.03687 0.09520 = 0.06777 -0.04679 0.00346 -0.01067 C197 1 0.004165 0.699133 0.718514 11.00000 0.04046 0.10110 = 0.08822 -0.05249 0.01279 -0.01855 C198 1 0.092050 0.564427 0.784906 11.00000 0.04933 0.09830 = 0.05424 -0.04171 0.00190 -0.02322 C199 1 0.185575 0.552685 0.821801 11.00000 0.05140 0.07235 = 0.04769 -0.03199 0.00508 -0.02069 C200 1 0.294453 0.559303 0.892377 11.00000 0.04407 0.08794 = 0.05033 -0.03676 0.00337 -0.01404 C201 1 0.268513 0.540065 0.868215 11.00000 0.04302 0.08835 = 0.05209 -0.03324 0.00539 -0.01288 C202 1 0.212670 0.570436 0.850594 11.00000 0.04198 0.06719 = 0.04160 -0.02506 0.00520 -0.01489 C203 1 0.183910 0.619385 0.859437 11.00000 0.04771 0.07965 = 0.05802 -0.03878 -0.00312 -0.00989 C204 1 0.213152 0.637591 0.883701 11.00000 0.05123 0.07779 = 0.05679 -0.04011 0.00133 -0.00955 O25 8 0.584826 0.988236 0.803925 11.00000 0.13550 0.09930 = 0.12226 -0.03006 0.00983 -0.00010 O26 8 0.694928 0.956643 0.800877 11.00000 0.09686 0.14433 = 0.25969 -0.02280 0.07609 -0.03159 O27 8 0.631015 0.902502 0.787644 11.00000 0.13786 0.13697 = 0.09557 -0.06777 0.03776 -0.03743 O28 8 0.113970 0.618115 0.572186 11.00000 0.10851 0.15894 = 0.06901 -0.00388 -0.01578 -0.03928 O29 8 0.012693 0.628229 0.555169 11.00000 0.07939 0.28395 = 0.10690 -0.07312 0.02492 -0.05612 O30 8 0.074117 0.551550 0.550257 11.00000 0.31403 0.13265 = 0.18098 -0.07381 0.11110 -0.12048 O31 8 0.701211 0.433396 0.930009 11.00000 0.09716 0.22803 = 0.10033 -0.05794 0.00803 -0.06352 O32 8 0.777574 0.428980 0.886373 11.00000 0.10117 0.26711 = 0.11684 -0.07576 0.03066 -0.07970 O33 8 0.807514 0.418047 0.946274 11.00000 0.08338 0.23108 = 0.10578 -0.07263 0.00625 -0.05334 S1 4 0.307817 -0.013310 0.753827 11.00000 0.13842 0.09205 = 0.13030 -0.05215 0.01124 -0.02843 S2 4 0.434229 0.310744 0.963593 11.00000 0.06774 0.08178 = 0.07967 -0.03329 -0.00838 -0.01334 S3 4 1.014923 0.562417 0.887515 11.00000 0.07376 0.09792 = 0.07550 -0.02862 0.01253 -0.02642 S4 4 0.581281 0.586367 0.751093 11.00000 0.07474 0.12468 = 0.09097 -0.06480 -0.01187 0.00710 S5 4 0.636753 0.942550 0.804743 11.00000 0.08063 0.09231 = 0.09502 -0.03009 0.00897 -0.02042 S6 4 0.072565 0.604360 0.551726 11.00000 0.09810 0.11209 = 0.08077 -0.04453 0.02590 -0.05204 S7 4 0.760215 0.439146 0.919525 11.00000 0.08048 0.26384 = 0.08592 -0.07301 0.01399 -0.06105 PART 1 S8 4 0.948225 0.325770 0.758438 21.00000 0.04867 0.08658 = 0.11036 -0.03638 0.02781 -0.02042 PART 0 C325 1 0.232885 -0.028800 0.751583 11.00000 0.18341 0.09352 = 0.16757 -0.04191 -0.00845 -0.00188 C326 1 0.431199 0.386357 0.947052 11.00000 0.06700 0.10240 = 0.07941 -0.01531 0.00533 -0.00352 C327 1 1.048554 0.569573 0.926967 11.00000 0.09912 0.10174 = 0.09551 -0.03379 0.00838 -0.02635 C328 1 0.624260 0.614772 0.778342 11.00000 0.05786 0.16942 = 0.08442 -0.06607 0.01306 -0.01953 C329 1 0.645301 0.904757 0.849762 11.00000 0.10194 0.06061 = 0.10926 -0.03342 0.00911 -0.01235 C330 1 0.085098 0.639881 0.506439 11.00000 0.09086 0.14410 = 0.08570 -0.05438 0.00353 -0.05631 C331 1 0.751916 0.519198 0.909466 11.00000 0.12426 0.19659 = 0.11574 -0.04773 0.04139 -0.06799 PART 1 C332 1 0.926611 0.398318 0.763001 21.00000 0.07161 0.04879 = 0.16536 -0.02652 0.02614 0.00193 PART 0 C339 1 0.241667 0.009419 0.872957 11.00000 0.16327 0.16464 = 0.19917 -0.09623 0.10064 -0.07491 C340 1 0.493689 0.011590 0.870223 11.00000 0.08744 0.13723 = 0.17746 -0.06714 0.01031 -0.01290 C341 1 0.968330 0.202781 0.818413 11.00000 0.08666 0.23205 = 0.18319 -0.07088 0.00360 -0.07498 PART 2 C432 1 0.873032 0.325326 0.725314 -21.00000 2.00000 0.25676 = 0.07723 -0.07749 -0.17836 -0.21193 PART 1 O34 8 1.009901 0.320246 0.751226 21.00000 0.04145 0.07399 = 0.07940 -0.02485 0.01975 -0.01753 O35 8 0.942200 0.289595 0.794294 21.00000 0.12517 0.10735 = 0.14039 -0.02499 0.06861 -0.02380 O36 8 0.905630 0.327761 0.731235 21.00000 0.13186 0.11456 = 0.10541 -0.04968 0.01714 -0.06282 PART 0 F1 3 0.235291 -0.080756 0.764339 11.00000 0.23277 0.12047 = 0.15693 -0.03869 -0.00687 -0.04751 F2 3 0.189300 0.004210 0.760388 11.00000 0.13758 0.14189 = 0.39672 -0.08966 0.06161 -0.03127 F3 3 0.210278 0.003784 0.720916 11.00000 0.33243 0.54130 = 0.23741 -0.01409 -0.15278 -0.05961 F4 3 0.381548 0.420813 0.939923 11.00000 0.09171 0.08358 = 0.15609 -0.03152 -0.02639 -0.00624 F5 3 0.463417 0.401393 0.971543 11.00000 0.11801 0.13132 = 0.20826 -0.08009 -0.05066 -0.04095 F6 3 0.467205 0.396384 0.919661 11.00000 0.16981 0.11923 = 0.18756 -0.05850 0.05951 -0.07326 F7 3 1.022602 0.621899 0.933066 11.00000 0.25111 0.10546 = 0.15487 -0.04742 -0.03973 -0.02137 F8 3 1.042815 0.533570 0.955414 11.00000 0.21186 0.12967 = 0.08425 -0.03373 -0.00472 -0.03236 F9 3 1.108977 0.562527 0.925561 11.00000 0.14268 0.18999 = 0.17644 -0.04667 -0.03873 -0.06944 F10 3 0.605160 0.668032 0.771692 11.00000 0.12751 0.15914 = 0.19580 -0.06032 -0.00955 -0.07798 F11 3 0.616673 0.591403 0.812649 11.00000 0.13118 0.18504 = 0.08323 -0.06982 0.01055 -0.04475 F12 3 0.682722 0.606176 0.773819 11.00000 0.06601 0.43599 = 0.12354 -0.14285 0.00522 -0.02681 F13 3 0.655002 0.931789 0.871714 11.00000 0.18391 0.13267 = 0.11285 -0.05806 -0.05463 -0.02197 F14 3 0.595017 0.885103 0.859979 11.00000 0.15789 0.15325 = 0.11137 -0.04198 0.03721 -0.07656 F15 3 0.696408 0.859334 0.856116 11.00000 0.17841 0.12892 = 0.14453 -0.02286 -0.02600 0.06138 F16 3 0.085369 0.692832 0.501283 11.00000 0.23411 0.15527 = 0.07568 -0.00544 -0.00958 -0.07175 F17 3 0.140023 0.618260 0.497898 11.00000 0.11666 0.18937 = 0.16305 -0.05360 0.06517 -0.07289 F18 3 0.046705 0.638390 0.481504 11.00000 0.14486 0.26455 = 0.10927 -0.08850 -0.01225 -0.09589 F19 3 0.802510 0.532631 0.905153 11.00000 0.11850 0.34277 = 0.19862 -0.10157 0.04716 -0.11658 F20 3 0.715839 0.540764 0.879926 11.00000 0.15390 0.31502 = 0.14353 0.01924 0.01696 -0.03664 F21 3 0.730016 0.535497 0.936234 11.00000 0.20879 0.28280 = 0.14007 -0.09452 0.05800 -0.02458 PART 1 F22 3 0.940063 0.434706 0.733275 21.00000 0.08556 0.09046 = 0.19513 -0.02275 0.02780 -0.01466 F23 3 0.865797 0.413028 0.766952 21.00000 0.07240 0.14077 = 0.18236 -0.07636 0.03296 -0.00786 F24 3 0.958212 0.404054 0.789771 21.00000 0.10872 0.11459 = 0.11145 -0.06135 -0.00648 -0.00359 PART 2 F22' 3 0.890521 0.362561 0.698325 -21.00000 0.16713 0.24061 = 0.11046 -0.09793 0.04872 -0.10519 F23' 3 0.924791 0.286348 0.727831 -21.00000 0.17820 0.13781 = 0.30078 -0.06294 -0.00361 -0.08865 F24' 3 0.823443 0.341664 0.741255 -21.00000 0.25490 0.17690 = 0.12623 -0.05899 0.00575 -0.08227 S8' 4 0.934980 0.367970 0.757696 -21.00000 0.07193 0.11934 = 0.10121 -0.05000 0.01209 -0.01901 O34' 8 0.927031 0.341626 0.793466 -21.00000 0.07442 0.39721 = 0.05451 0.00638 0.02034 -0.03685 O35' 8 0.997034 0.348539 0.746969 -21.00000 0.08372 0.18870 = 0.10608 -0.03434 0.02160 -0.04968 O36' 8 0.900969 0.423706 0.745719 -21.00000 0.21304 0.08206 = 0.18563 -0.07712 -0.05361 0.01374 PART 0 O61 8 0.035457 0.754083 0.893441 11.00000 0.33074 0.18630 = 0.12383 -0.05782 0.06284 -0.09726 O60 8 0.960633 0.740707 0.553126 11.00000 0.12428 0.29468 = 0.15228 -0.12440 -0.01798 -0.04666 O59 8 0.509794 0.196288 0.925825 11.00000 0.10208 0.11999 = 0.07441 -0.03407 0.01358 -0.02325 O55 8 0.476238 0.012148 0.838615 11.00000 0.08739 0.13793 = 0.14713 -0.05135 0.01714 -0.01034 O58 8 0.549042 0.729026 0.676625 11.00000 0.06633 0.31311 = 0.11267 -0.05483 0.01997 -0.04358 O56 8 0.306873 0.014819 0.879019 11.00000 0.13643 0.11097 = 0.14330 -0.04894 0.03092 -0.05665 O57 8 1.028686 0.208699 0.826556 11.00000 0.12103 0.19104 = 0.11696 -0.09714 0.04059 -0.08987 HKLF 4 REM ga_90403c_a.res in P-1 REM wR2 = 0.488423, GooF = S = 2.12411, Restrained GooF = 2.13148 for all data REM R1 = 0.188477 for 68428 Fo > 4sig(Fo) and 0.202482 for all 84738 data REM 4439 parameters refined using 17 restraints END WGHT 0.2000 0.0000 REM Highest difference peak 10.959, deepest hole -2.375, 1-sigma level 0.423 Q1 1 0.1919 0.3710 0.5534 11.00000 0.05 10.96 Q2 1 0.6561 0.3464 0.8299 11.00000 0.05 10.45 Q3 1 0.6782 0.2082 0.7395 11.00000 0.05 9.47 Q4 1 0.0132 0.3416 0.9278 11.00000 0.05 9.29 Q5 1 0.4786 0.6876 0.5647 11.00000 0.05 8.94 Q6 1 0.3524 -0.0578 0.9763 11.00000 0.05 8.16 Q7 1 0.2591 0.8360 0.4921 11.00000 0.05 7.91 Q8 1 -0.1813 0.8122 0.7546 11.00000 0.05 7.82 Q9 1 -0.1605 0.6763 0.6623 11.00000 0.05 7.66 Q10 1 0.4353 0.7997 0.8530 11.00000 0.05 7.33 Q11 1 0.4678 0.3766 0.6046 11.00000 0.05 7.31 Q12 1 0.0627 0.2202 0.6386 11.00000 0.05 7.28 Q13 1 0.1680 0.8440 0.6934 11.00000 0.05 7.05 Q14 1 0.2387 0.1919 1.0009 11.00000 0.05 5.97 Q15 1 -0.1487 0.0978 0.6472 11.00000 0.05 4.98 Q16 1 0.4198 0.2297 0.6332 11.00000 0.05 4.66 Q17 1 0.2482 0.5067 0.7461 11.00000 0.05 4.52 Q18 1 0.1228 0.8176 0.7101 11.00000 0.05 4.32 Q19 1 0.5487 0.7655 0.3977 11.00000 0.05 4.21 Q20 1 0.4705 0.3430 0.6423 11.00000 0.05 4.16 Q21 1 0.4924 0.3414 0.6122 11.00000 0.05 4.00 Q22 1 0.7341 0.5725 0.5707 11.00000 0.05 3.93 Q23 1 0.2172 0.8371 0.7121 11.00000 0.05 3.92 Q24 1 0.4714 0.4338 0.6116 11.00000 0.05 3.62 Q25 1 0.1778 0.8281 0.6635 11.00000 0.05 3.61 Q26 1 0.7225 0.6163 0.5625 11.00000 0.05 3.22 Q27 1 0.9836 0.0888 0.8100 11.00000 0.05 3.18 Q28 1 -0.1501 0.6137 0.6709 11.00000 0.05 3.17 Q29 1 0.7492 0.5344 0.5733 11.00000 0.05 3.01 Q30 1 0.3452 0.0982 0.8109 11.00000 0.05 2.86 Q31 1 0.7065 0.5418 0.5529 11.00000 0.05 2.63 Q32 1 0.3716 -0.0575 0.9461 11.00000 0.05 2.47 Q33 1 1.0339 0.5904 0.8988 11.00000 0.05 2.42 Q34 1 0.5805 0.3444 0.6118 11.00000 0.05 2.39 Q35 1 0.5696 0.6182 0.7406 11.00000 0.05 2.36 Q36 1 0.8651 0.0703 0.6965 11.00000 0.05 2.35 Q37 1 0.4497 0.6179 0.4413 11.00000 0.05 2.15 Q38 1 0.1779 0.9315 0.3591 11.00000 0.05 2.15 Q39 1 -0.2085 0.5489 0.5693 11.00000 0.05 2.15 Q40 1 0.5756 0.6162 0.4195 11.00000 0.05 2.08 Q41 1 0.3189 -0.0234 0.9870 11.00000 0.05 2.03 Q42 1 0.4285 0.3621 0.9462 11.00000 0.05 2.00 Q43 1 0.2946 -0.0207 0.9737 11.00000 0.05 1.98 Q44 1 0.4237 0.3781 0.9422 11.00000 0.05 1.89 Q45 1 0.9616 -0.0215 0.8209 11.00000 0.05 1.88 Q46 1 0.4587 0.6530 0.4079 11.00000 0.05 1.86 Q47 1 1.0205 0.6345 0.8907 11.00000 0.05 1.84 Q48 1 0.8581 0.6115 0.9522 11.00000 0.05 1.82 Q49 1 0.6963 0.1323 0.9820 11.00000 0.05 1.80 Q50 1 0.6289 0.1166 0.9916 11.00000 0.05 1.76 Q51 1 0.4933 0.0918 0.9742 11.00000 0.05 1.73 Q52 1 0.1431 0.9502 0.3868 11.00000 0.05 1.70 Q53 1 0.1900 0.5579 0.4348 11.00000 0.05 1.70 Q54 1 0.1634 0.9433 0.3839 11.00000 0.05 1.70 Q55 1 0.9203 0.4025 0.7546 11.00000 0.05 1.69 Q56 1 0.0417 0.0680 1.0400 11.00000 0.05 1.65 Q57 1 0.4114 0.4125 0.7191 11.00000 0.05 1.65 Q58 1 0.1620 0.5742 0.6951 11.00000 0.05 1.64 Q59 1 0.7721 0.3956 0.9310 11.00000 0.05 1.62 Q60 1 -0.0746 0.0762 0.6278 11.00000 0.05 1.62 Q61 1 0.3736 -0.0405 1.0006 11.00000 0.05 1.61 Q62 1 0.4596 0.3738 1.0071 11.00000 0.05 1.57 Q63 1 0.3150 0.8592 0.9658 11.00000 0.05 1.57 Q64 1 0.9514 0.0467 0.8010 11.00000 0.05 1.56 Q65 1 0.3794 0.3507 1.0025 11.00000 0.05 1.56 Q66 1 0.1401 -0.0626 0.6815 11.00000 0.05 1.53 Q67 1 0.5007 0.0417 0.7081 11.00000 0.05 1.52 Q68 1 0.4079 0.2401 0.5750 11.00000 0.05 1.52 Q69 1 0.4706 0.4310 0.5638 11.00000 0.05 1.51 Q70 1 0.1559 0.4528 0.7735 11.00000 0.05 1.50 Q71 1 0.4398 -0.0020 0.9629 11.00000 0.05 1.49 Q72 1 0.3399 0.5602 0.7231 11.00000 0.05 1.49 Q73 1 0.2888 0.4501 0.6971 11.00000 0.05 1.48 Q74 1 1.0919 0.0640 0.8263 11.00000 0.05 1.47 Q75 1 0.3696 0.2247 0.7005 11.00000 0.05 1.46 Q76 1 -0.0978 0.9892 0.6847 11.00000 0.05 1.46 Q77 1 0.4567 -0.0505 1.0166 11.00000 0.05 1.45 Q78 1 0.0975 0.4088 0.7496 11.00000 0.05 1.45 Q79 1 0.8387 0.0860 0.8752 11.00000 0.05 1.44 Q80 1 0.1299 0.4187 0.7139 11.00000 0.05 1.43 Q81 1 0.3874 0.8331 0.9992 11.00000 0.05 1.43 Q82 1 0.8595 0.6440 0.9133 11.00000 0.05 1.43 Q83 1 0.4703 0.1237 0.6252 11.00000 0.05 1.42 Q84 1 0.5294 0.6889 0.4065 11.00000 0.05 1.42 Q85 1 0.1610 0.6166 0.6356 11.00000 0.05 1.42 Q86 1 0.6019 0.6262 0.7991 11.00000 0.05 1.40 Q87 1 0.3180 0.3687 0.6398 11.00000 0.05 1.40 Q88 1 0.3754 0.4181 0.6840 11.00000 0.05 1.39 Q89 1 0.1692 0.3779 0.7082 11.00000 0.05 1.39 Q90 1 0.8899 0.8384 0.5007 11.00000 0.05 1.39 Q91 1 -0.0894 0.7330 0.8932 11.00000 0.05 1.39 Q92 1 0.4740 0.9214 0.9649 11.00000 0.05 1.37 Q93 1 0.2319 0.6383 0.4047 11.00000 0.05 1.37 Q94 1 0.3366 0.4489 0.7982 11.00000 0.05 1.37 Q95 1 0.2635 -0.1080 0.9657 11.00000 0.05 1.36 Q96 1 0.5856 0.6783 0.7694 11.00000 0.05 1.36 Q97 1 0.5067 0.8453 0.3883 11.00000 0.05 1.36 Q98 1 0.7613 0.3968 0.6987 11.00000 0.05 1.36 Q99 1 1.0413 0.6277 0.8585 11.00000 0.05 1.35 Q100 1 0.6683 0.6318 0.7634 11.00000 0.05 1.35 Q101 1 0.0709 0.3558 0.8169 11.00000 0.05 1.34 Q102 1 0.3425 0.3962 0.8563 11.00000 0.05 1.34 Q103 1 0.8832 0.1139 0.8786 11.00000 0.05 1.34 Q104 1 0.4485 0.0368 0.7155 11.00000 0.05 1.33 Q105 1 0.4709 0.2415 0.7019 11.00000 0.05 1.33 Q106 1 0.0682 0.6794 0.5398 11.00000 0.05 1.32 Q107 1 0.5580 0.9885 0.6921 11.00000 0.05 1.32 Q108 1 0.3875 0.3279 0.7581 11.00000 0.05 1.32 Q109 1 0.6211 0.2254 0.9755 11.00000 0.05 1.31 Q110 1 -0.0583 0.4203 0.6156 11.00000 0.05 1.31 Q111 1 0.0948 0.5824 0.5664 11.00000 0.05 1.31 Q112 1 0.3761 0.5891 0.7223 11.00000 0.05 1.31 Q113 1 0.1203 0.5986 0.8097 11.00000 0.05 1.31 Q114 1 0.2101 0.9700 0.5804 11.00000 0.05 1.31 Q115 1 0.7166 0.4381 0.6052 11.00000 0.05 1.30 Q116 1 0.1284 0.4226 0.7789 11.00000 0.05 1.30 Q117 1 0.2146 0.5620 0.7978 11.00000 0.05 1.30 Q118 1 0.3152 0.7699 0.4992 11.00000 0.05 1.30 Q119 1 0.1670 1.0195 0.5314 11.00000 0.05 1.29 Q120 1 0.4012 0.3400 0.9326 11.00000 0.05 1.29 Q121 1 0.5251 0.8526 0.7161 11.00000 0.05 1.29 Q122 1 0.5304 0.8705 0.7011 11.00000 0.05 1.29 Q123 1 0.5701 0.9538 0.7176 11.00000 0.05 1.29 Q124 1 0.3979 0.6006 0.7470 11.00000 0.05 1.28 Q125 1 0.7873 0.0558 0.6641 11.00000 0.05 1.28 Q126 1 0.2005 0.9781 0.5707 11.00000 0.05 1.28 Q127 1 0.4655 0.8498 0.3669 11.00000 0.05 1.28 Q128 1 0.2603 0.4096 0.8491 11.00000 0.05 1.27 Q129 1 0.0303 0.5982 0.5741 11.00000 0.05 1.27 Q130 1 0.2008 0.9713 0.5558 11.00000 0.05 1.27 Q131 1 0.1400 0.5989 0.6653 11.00000 0.05 1.27 Q132 1 0.4389 0.2010 0.8600 11.00000 0.05 1.26 Q133 1 0.8288 0.3780 0.7337 11.00000 0.05 1.26 Q134 1 0.4935 -0.0369 0.6907 11.00000 0.05 1.26 Q135 1 -0.1484 0.1435 1.0347 11.00000 0.05 1.26 Q136 1 0.4895 0.0527 0.9551 11.00000 0.05 1.25 Q137 1 0.7676 0.4424 0.5960 11.00000 0.05 1.25 Q138 1 0.2337 0.3936 0.5958 11.00000 0.05 1.24 Q139 1 0.6549 0.8918 0.8519 11.00000 0.05 1.23 Q140 1 0.1145 0.6792 0.7332 11.00000 0.05 1.23 Q141 1 0.8387 0.3389 0.7407 11.00000 0.05 1.22 Q142 1 0.1142 -0.0686 0.7159 11.00000 0.05 1.21 Q143 1 0.0666 -0.0701 0.6715 11.00000 0.05 1.21 Q144 1 0.4684 0.2962 0.9994 11.00000 0.05 1.21 Q145 1 0.5712 0.5622 0.7601 11.00000 0.05 1.21 Q146 1 0.3322 0.6385 0.7856 11.00000 0.05 1.20 Q147 1 0.2216 0.3404 0.7331 11.00000 0.05 1.20 Q148 1 0.0095 0.8115 0.8890 11.00000 0.05 1.19 Q149 1 0.4593 0.4330 0.8006 11.00000 0.05 1.19 Q150 1 0.0913 0.4018 0.8110 11.00000 0.05 1.19 Q151 1 0.9859 0.3706 0.7426 11.00000 0.05 1.17 Q152 1 0.0680 0.8172 0.6357 11.00000 0.05 1.17 Q153 1 0.5491 0.0193 0.7011 11.00000 0.05 1.17 Q154 1 0.6012 0.8250 0.6589 11.00000 0.05 1.16 Q155 1 0.7991 0.4029 0.6175 11.00000 0.05 1.16 Q156 1 0.7820 0.3400 0.7284 11.00000 0.05 1.16 Q157 1 0.0628 0.5982 0.4951 11.00000 0.05 1.16 Q158 1 0.0840 0.5980 0.7756 11.00000 0.05 1.15 Q159 1 0.0934 0.4411 0.8346 11.00000 0.05 1.15 Q160 1 1.0388 0.0896 0.8083 11.00000 0.05 1.14 Q161 1 -0.2393 0.7461 0.5941 11.00000 0.05 1.14 Q162 1 0.2309 0.6031 0.6412 11.00000 0.05 1.13 Q163 1 1.0379 0.0868 0.8296 11.00000 0.05 1.13 Q164 1 -0.0245 -0.0314 0.9355 11.00000 0.05 1.12 Q165 1 0.3572 0.4217 0.8258 11.00000 0.05 1.12 Q166 1 -0.0979 0.0428 0.6415 11.00000 0.05 1.12 Q167 1 0.0668 0.0098 0.8570 11.00000 0.05 1.12 Q168 1 0.6624 0.8325 0.5252 11.00000 0.05 1.12 Q169 1 0.8499 0.1193 0.9642 11.00000 0.05 1.12 Q170 1 -0.0298 0.4813 0.5899 11.00000 0.05 1.11 Q171 1 0.3676 0.5983 0.7789 11.00000 0.05 1.11 Q172 1 0.7788 0.4341 0.6403 11.00000 0.05 1.10 Q173 1 0.3228 0.4312 0.6801 11.00000 0.05 1.10 Q174 1 0.8414 0.8338 0.5071 11.00000 0.05 1.10 Q175 1 0.1615 0.3495 0.6831 11.00000 0.05 1.10 Q176 1 0.4069 0.6090 0.6860 11.00000 0.05 1.10 Q177 1 0.2875 0.3557 0.6099 11.00000 0.05 1.10 Q178 1 0.8869 0.3941 0.6938 11.00000 0.05 1.10 Q179 1 0.5192 0.9847 0.7160 11.00000 0.05 1.10 Q180 1 0.2303 0.4576 0.6306 11.00000 0.05 1.09 Q181 1 0.7906 0.1011 0.9618 11.00000 0.05 1.09 Q182 1 0.1007 0.6749 0.5635 11.00000 0.05 1.08 Q183 1 0.7382 0.4324 0.7954 11.00000 0.05 1.08 Q184 1 -0.0380 0.9627 0.7665 11.00000 0.05 1.08 Q185 1 0.3483 0.4290 0.8184 11.00000 0.05 1.08 Q186 1 0.3656 0.2255 0.9123 11.00000 0.05 1.08 Q187 1 0.2472 0.3552 0.8547 11.00000 0.05 1.08 Q188 1 0.0239 0.9010 0.8057 11.00000 0.05 1.08 Q189 1 0.4301 0.3470 0.9892 11.00000 0.05 1.08 Q190 1 0.8920 0.3497 0.7289 11.00000 0.05 1.07 Q191 1 0.5793 0.5191 0.7723 11.00000 0.05 1.07 Q192 1 0.9292 0.6652 0.9036 11.00000 0.05 1.07 Q193 1 0.2214 0.1362 0.4992 11.00000 0.05 1.07 Q194 1 -0.2976 0.8922 0.5997 11.00000 0.05 1.06 Q195 1 0.2061 0.2512 0.8536 11.00000 0.05 1.06 Q196 1 -0.1373 0.5331 0.6468 11.00000 0.05 1.06 Q197 1 0.5925 0.0864 0.9879 11.00000 0.05 1.06 Q198 1 0.3344 0.8039 0.6846 11.00000 0.05 1.05 Q199 1 0.8825 0.6783 0.8887 11.00000 0.05 1.05 Q200 1 0.3035 0.9348 0.3775 11.00000 0.05 1.05 Q201 1 0.5393 0.4002 0.8076 11.00000 0.05 1.05 Q202 1 0.3197 0.3358 0.5226 11.00000 0.05 1.05 Q203 1 0.8910 0.1581 0.9021 11.00000 0.05 1.04 Q204 1 0.2391 0.6788 0.6680 11.00000 0.05 1.04 Q205 1 0.7231 0.6172 0.9174 11.00000 0.05 1.04 Q206 1 0.4278 0.9168 0.3636 11.00000 0.05 1.04 Q207 1 0.4831 0.8297 0.8804 11.00000 0.05 1.04 Q208 1 0.5880 0.8084 0.6811 11.00000 0.05 1.04 Q209 1 0.8918 0.1014 0.9167 11.00000 0.05 1.03 Q210 1 0.7033 0.5915 0.9249 11.00000 0.05 1.03 Q211 1 0.2078 0.4337 0.6052 11.00000 0.05 1.02 Q212 1 0.2984 0.8069 0.6406 11.00000 0.05 1.02 Q213 1 -0.0842 0.8096 0.7593 11.00000 0.05 1.02 Q214 1 0.3830 -0.0757 0.6710 11.00000 0.05 1.01 Q215 1 0.2906 0.7774 0.6408 11.00000 0.05 1.01 Q216 1 0.0795 0.0210 0.8047 11.00000 0.05 1.01 Q217 1 0.3083 0.0209 0.7725 11.00000 0.05 1.00 Q218 1 0.1823 0.5813 0.8124 11.00000 0.05 1.00 Q219 1 -0.0606 0.4109 0.9283 11.00000 0.05 1.00 Q220 1 0.7035 0.6197 0.9371 11.00000 0.05 1.00 Q221 1 0.2972 0.7104 0.8141 11.00000 0.05 1.00 Q222 1 -0.1015 0.0694 0.8975 11.00000 0.05 1.00 Q223 1 0.0470 0.9371 0.7821 11.00000 0.05 1.00 Q224 1 0.7412 0.3544 0.8398 11.00000 0.05 1.00 Q225 1 -0.0834 0.3557 0.9191 11.00000 0.05 0.99 Q226 1 0.2158 -0.0492 0.6252 11.00000 0.05 0.99 Q227 1 0.0457 0.3657 0.8759 11.00000 0.05 0.99 Q228 1 0.2541 0.7261 0.6686 11.00000 0.05 0.98 Q229 1 0.6834 0.3614 0.8774 11.00000 0.05 0.98 Q230 1 0.0135 -0.0390 0.7884 11.00000 0.05 0.98 Q231 1 0.1539 0.2217 0.8127 11.00000 0.05 0.97 Q232 1 0.4860 0.0006 0.6170 11.00000 0.05 0.97 Q233 1 0.0095 0.9524 0.8573 11.00000 0.05 0.97 Q234 1 0.2632 0.3296 0.8305 11.00000 0.05 0.97 Q235 1 0.0181 -0.0397 0.9015 11.00000 0.05 0.97 Q236 1 0.8803 0.6566 0.9512 11.00000 0.05 0.96 Q237 1 0.2460 0.2882 0.8314 11.00000 0.05 0.96 Q238 1 -0.0211 0.9230 0.8489 11.00000 0.05 0.96 Q239 1 0.8206 0.3781 0.6816 11.00000 0.05 0.96 Q240 1 0.4837 0.0520 0.5931 11.00000 0.05 0.96 Q241 1 0.5022 0.2882 0.7824 11.00000 0.05 0.96 Q242 1 0.5528 0.2502 0.7079 11.00000 0.05 0.95 Q243 1 0.2897 0.4151 0.6506 11.00000 0.05 0.95 Q244 1 0.0493 0.3193 0.6197 11.00000 0.05 0.95 Q245 1 0.0400 0.6873 0.4981 11.00000 0.05 0.95 Q246 1 -0.3433 0.8608 0.5887 11.00000 0.05 0.95 Q247 1 0.0416 0.3367 0.8531 11.00000 0.05 0.95 Q248 1 0.3736 0.1724 0.8433 11.00000 0.05 0.94 Q249 1 0.5566 0.3713 0.8295 11.00000 0.05 0.94 Q250 1 0.4389 0.3885 0.8340 11.00000 0.05 0.94 Q251 1 0.1691 0.0909 0.5180 11.00000 0.05 0.94 Q252 1 0.0220 0.8095 0.6701 11.00000 0.05 0.94 Q253 1 0.4402 0.3734 0.8430 11.00000 0.05 0.93 Q254 1 0.5766 0.4780 0.6924 11.00000 0.05 0.93 Q255 1 0.5115 0.6303 0.7518 11.00000 0.05 0.93 Q256 1 -0.2168 0.5920 0.6771 11.00000 0.05 0.93 Q257 1 -0.0340 0.9180 0.8164 11.00000 0.05 0.93 Q258 1 0.3891 0.1612 0.7482 11.00000 0.05 0.93 Q259 1 0.6331 0.9843 0.8006 11.00000 0.05 0.93 Q260 1 0.0700 0.6123 0.6652 11.00000 0.05 0.93 Q261 1 0.2791 0.6690 0.7611 11.00000 0.05 0.92 Q262 1 0.2874 0.0172 0.8744 11.00000 0.05 0.92 Q263 1 -0.2191 0.8209 0.7999 11.00000 0.05 0.92 Q264 1 0.7015 0.6333 0.8839 11.00000 0.05 0.92 Q265 1 0.4298 0.3745 0.7434 11.00000 0.05 0.92 Q266 1 0.5147 0.1416 0.9471 11.00000 0.05 0.92 Q267 1 0.1504 0.3807 0.5050 11.00000 0.05 0.92 Q268 1 0.7092 0.6356 0.8905 11.00000 0.05 0.92 Q269 1 0.1329 0.7794 0.7986 11.00000 0.05 0.92 Q270 1 0.4672 0.2003 0.7289 11.00000 0.05 0.92 Q271 1 0.0325 0.4485 0.5807 11.00000 0.05 0.92 Q272 1 0.1311 0.6567 0.4945 11.00000 0.05 0.91 Q273 1 0.2376 0.7453 0.7929 11.00000 0.05 0.91 Q274 1 0.7260 0.5857 0.8929 11.00000 0.05 0.91 Q275 1 0.4844 0.1619 0.7470 11.00000 0.05 0.91 Q276 1 0.2646 0.2918 0.7269 11.00000 0.05 0.91 Q277 1 0.2954 0.9762 0.3698 11.00000 0.05 0.91 Q278 1 -0.2383 0.5691 0.7156 11.00000 0.05 0.91 Q279 1 -0.2294 0.6912 0.6221 11.00000 0.05 0.91 Q280 1 0.4897 0.1483 0.7512 11.00000 0.05 0.91 Q281 1 -0.0689 0.8420 0.7352 11.00000 0.05 0.91 Q282 1 0.3970 0.6735 0.9946 11.00000 0.05 0.91 Q283 1 0.1696 0.6422 0.8498 11.00000 0.05 0.90 Q284 1 0.2519 0.6642 0.6420 11.00000 0.05 0.90 Q285 1 0.4841 0.3633 0.9369 11.00000 0.05 0.90 Q286 1 0.0158 -0.0005 0.7999 11.00000 0.05 0.90 Q287 1 -0.0413 0.6875 0.6348 11.00000 0.05 0.90 Q288 1 0.5132 0.6109 0.5825 11.00000 0.05 0.89 Q289 1 1.0686 0.6202 0.9178 11.00000 0.05 0.89 Q290 1 0.4433 0.8876 0.5814 11.00000 0.05 0.89 Q291 1 -0.1740 0.5278 0.6689 11.00000 0.05 0.89 Q292 1 0.0470 0.4107 0.5870 11.00000 0.05 0.89 Q293 1 0.5779 0.2039 0.7377 11.00000 0.05 0.88 Q294 1 0.4550 -0.0150 0.6372 11.00000 0.05 0.88 Q295 1 0.7069 0.5582 0.8769 11.00000 0.05 0.88 Q296 1 0.1215 0.8410 0.7374 11.00000 0.05 0.88 Q297 1 0.9814 0.1132 0.8369 11.00000 0.05 0.87 Q298 1 1.0608 0.6430 0.9128 11.00000 0.05 0.87 Q299 1 0.3917 0.2901 0.7878 11.00000 0.05 0.87 Q300 1 -0.1385 0.8442 0.6021 11.00000 0.05 0.87 Q301 1 0.2493 0.9063 0.3737 11.00000 0.05 0.87 Q302 1 0.7433 0.1353 0.7414 11.00000 0.05 0.87 Q303 1 0.9561 0.5791 0.9481 11.00000 0.05 0.87 Q304 1 0.6614 0.2555 0.8346 11.00000 0.05 0.87 Q305 1 0.2081 0.5986 0.8449 11.00000 0.05 0.87 Q306 1 -0.0052 0.0669 1.0165 11.00000 0.05 0.87 Q307 1 0.1022 0.7225 0.7077 11.00000 0.05 0.87 Q308 1 0.7954 0.9473 0.8568 11.00000 0.05 0.87 Q309 1 -0.2535 0.8794 0.7532 11.00000 0.05 0.86 Q310 1 0.0392 0.6487 0.6458 11.00000 0.05 0.86 Q311 1 1.0117 0.8718 0.5175 11.00000 0.05 0.86 Q312 1 -0.0658 0.5220 0.8099 11.00000 0.05 0.86 Q313 1 0.4752 0.0160 0.6410 11.00000 0.05 0.86 Q314 1 0.7601 0.1069 0.7572 11.00000 0.05 0.85 Q315 1 -0.1445 0.8956 0.5947 11.00000 0.05 0.85 Q316 1 0.4919 0.3296 0.7579 11.00000 0.05 0.85 Q317 1 0.0884 0.7352 0.8680 11.00000 0.05 0.85 Q318 1 0.7574 0.4812 0.9200 11.00000 0.05 0.85 Q319 1 0.3389 0.1408 0.6186 11.00000 0.05 0.85 Q320 1 0.2996 0.6303 0.7751 11.00000 0.05 0.85 Q321 1 -0.2628 0.5964 0.6963 11.00000 0.05 0.85 Q322 1 0.5586 0.5610 0.8884 11.00000 0.05 0.85 Q323 1 0.0268 0.9702 0.8279 11.00000 0.05 0.85 Q324 1 0.7120 0.4096 0.8197 11.00000 0.05 0.85 Q325 1 0.2437 0.2776 0.6945 11.00000 0.05 0.84 Q326 1 0.1849 0.3135 0.6828 11.00000 0.05 0.84 Q327 1 0.5348 0.5480 0.8881 11.00000 0.05 0.84 Q328 1 -0.0108 0.0316 0.5672 11.00000 0.05 0.84 Q329 1 0.9464 0.6113 0.8898 11.00000 0.05 0.84 Q330 1 0.4667 -0.0916 0.7034 11.00000 0.05 0.84 Q331 1 0.3539 0.6539 0.4048 11.00000 0.05 0.83 Q332 1 0.2492 0.8576 0.9885 11.00000 0.05 0.83 Q333 1 -0.4502 0.9808 0.6546 11.00000 0.05 0.83 Q334 1 0.2191 0.8825 0.9539 11.00000 0.05 0.83 Q335 1 0.0019 0.8894 0.5221 11.00000 0.05 0.83 Q336 1 0.9592 0.6285 0.9036 11.00000 0.05 0.82 Q337 1 0.4493 0.9518 0.3904 11.00000 0.05 0.82 Q338 1 0.2164 -0.0296 0.7149 11.00000 0.05 0.82 Q339 1 0.0883 0.2484 0.7549 11.00000 0.05 0.82 Q340 1 0.0608 0.9885 0.5417 11.00000 0.05 0.82 Q341 1 0.9012 -0.0244 0.8517 11.00000 0.05 0.82 Q342 1 0.6787 0.5702 0.7816 11.00000 0.05 0.82 Q343 1 0.9112 0.3852 0.7802 11.00000 0.05 0.82 Q344 1 0.5038 0.7385 0.4120 11.00000 0.05 0.81 Q345 1 0.4290 0.6508 0.6798 11.00000 0.05 0.81 Q346 1 -0.0843 0.1057 1.0382 11.00000 0.05 0.81 Q347 1 0.3905 0.7896 0.7417 11.00000 0.05 0.81 Q348 1 0.0693 0.0168 1.0692 11.00000 0.05 0.81 Q349 1 0.7387 0.5914 0.8781 11.00000 0.05 0.81 Q350 1 0.2216 0.6207 0.6939 11.00000 0.05 0.81 Q351 1 0.9688 0.7728 0.5381 11.00000 0.05 0.81 Q352 1 0.3519 0.5826 0.9941 11.00000 0.05 0.81 Q353 1 0.4615 0.2572 0.8018 11.00000 0.05 0.80 Q354 1 0.0098 0.8413 0.7497 11.00000 0.05 0.80 Q355 1 0.2498 0.0974 0.5399 11.00000 0.05 0.80 Q356 1 0.2777 0.5021 0.9786 11.00000 0.05 0.80 Q357 1 0.1702 0.9017 0.9499 11.00000 0.05 0.80 Q358 1 -0.0940 0.6062 0.8194 11.00000 0.05 0.80 Q359 1 0.9285 0.0081 0.7566 11.00000 0.05 0.80 Q360 1 0.7107 0.5540 0.9374 11.00000 0.05 0.79 Q361 1 -0.0177 0.3832 0.9951 11.00000 0.05 0.79 Q362 1 0.2426 0.0126 0.8885 11.00000 0.05 0.79 Q363 1 0.2341 0.7237 0.7631 11.00000 0.05 0.79 Q364 1 -0.0908 0.9492 0.8348 11.00000 0.05 0.79 Q365 1 0.1586 0.4299 0.5040 11.00000 0.05 0.79 Q366 1 0.2779 0.1369 1.0348 11.00000 0.05 0.79 Q367 1 0.4523 0.5703 0.9104 11.00000 0.05 0.79 Q368 1 0.2083 0.8360 0.5378 11.00000 0.05 0.79 Q369 1 0.1294 0.7949 0.7650 11.00000 0.05 0.78 Q370 1 0.7052 0.6074 0.8665 11.00000 0.05 0.78 Q371 1 0.4723 0.8563 0.4032 11.00000 0.05 0.78 Q372 1 0.1293 0.8037 0.5822 11.00000 0.05 0.78 Q373 1 0.1882 0.2080 0.8525 11.00000 0.05 0.78 Q374 1 0.4302 0.0717 0.6469 11.00000 0.05 0.78 Q375 1 0.0688 0.4192 0.8658 11.00000 0.05 0.78 Q376 1 0.2068 -0.0806 0.9607 11.00000 0.05 0.78 Q377 1 0.3297 0.6783 0.8111 11.00000 0.05 0.78 Q378 1 -0.2766 0.8244 0.7613 11.00000 0.05 0.78 Q379 1 0.5996 0.5272 0.8841 11.00000 0.05 0.78 Q380 1 -0.1574 0.5644 0.6605 11.00000 0.05 0.77 ; _shelx_res_checksum 11668 _olex2_submission_special_instructions 'No special instructions were received' 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 Rh1 Rh 0.68312(3) 0.18252(2) 0.74329(2) 0.06192(13) Uani 1 1 d . . . . . Rh2 Rh 0.66195(2) 0.31619(2) 0.83653(2) 0.05140(10) Uani 1 1 d . . . . . Rh3 Rh 0.05992(2) 0.19554(3) 0.64756(2) 0.07188(15) Uani 1 1 d . . . . . Rh4 Rh 0.18986(2) 0.34193(2) 0.56235(2) 0.06112(12) Uani 1 1 d . . . . . Rh5 Rh 0.24357(2) 0.16651(2) 1.00795(2) 0.06139(13) Uani 1 1 d . . . . . Rh6 Rh 0.02520(2) 0.30940(2) 0.93501(2) 0.05137(10) Uani 1 1 d . . . . . Rh7 Rh 0.30341(2) 0.63557(2) 0.94047(2) 0.05046(10) Uani 1 1 d . . . . . Rh8 Rh 0.44304(2) 0.77343(2) 0.85864(2) 0.06037(11) Uani 1 1 d . . . . . Rh9 Rh -0.15188(2) 0.65061(2) 0.66530(2) 0.05562(11) Uani 1 1 d . . . . . Rh10 Rh -0.17173(2) 0.78757(2) 0.75569(2) 0.05638(11) Uani 1 1 d . . . . . Rh11 Rh 0.49284(2) 0.64607(3) 0.57399(2) 0.07357(13) Uani 1 1 d . . . . . Rh12 Rh 0.27907(3) 0.79549(4) 0.50003(2) 0.0922(2) Uani 1 1 d . . . . . K1 K 0.25594(5) 0.47390(5) 0.75429(3) 0.0490(3) Uani 1 1 d . . . . . K2 K 0.35350(8) 0.06481(7) 0.81601(5) 0.0775(4) Uani 1 1 d . . . . . N1 N 0.6774(3) 0.1735(2) 0.80041(14) 0.0592(14) Uani 1 1 d . . . . . N2 N 0.6568(2) 0.2713(2) 0.74226(13) 0.0543(12) Uani 1 1 d . . . . . N3 N 0.6538(2) 0.3252(2) 0.78032(13) 0.0519(12) Uani 1 1 d . . . . . N4 N 0.6658(2) 0.2291(2) 0.83737(13) 0.0533(12) Uani 1 1 d . . . . . N5 N 0.0587(3) 0.2845(3) 0.6290(2) 0.081(2) Uani 1 1 d . . . . . N6 N 0.1475(3) 0.1917(2) 0.62456(17) 0.0718(15) Uani 1 1 d . . . . . N7 N 0.2038(3) 0.2526(3) 0.59258(15) 0.0637(14) Uani 1 1 d . . . . . N8 N 0.1090(2) 0.3444(3) 0.59208(17) 0.0671(16) Uani 1 1 d . . . . . N9 N 0.2021(2) 0.2547(2) 0.98540(14) 0.0575(13) Uani 1 1 d . . . . . N10 N 0.1641(3) 0.1625(3) 0.97821(16) 0.0674(16) Uani 1 1 d . . . . . N11 N 0.0771(2) 0.2221(2) 0.94543(14) 0.0544(12) Uani 1 1 d . . . . . N12 N 0.1111(2) 0.3141(2) 0.95780(14) 0.0514(11) Uani 1 1 d . . . . . N13 N 0.3909(2) 0.6274(2) 0.91524(12) 0.0496(11) Uani 1 1 d . . . . . N14 N 0.2914(2) 0.7212(2) 0.90390(14) 0.0549(12) Uani 1 1 d . . . . . N15 N 0.3486(3) 0.7776(2) 0.87199(16) 0.0605(13) Uani 1 1 d . . . . . N16 N 0.4452(2) 0.6846(2) 0.88144(14) 0.0544(12) Uani 1 1 d . . . . . N17 N -0.1463(2) 0.6426(2) 0.72103(14) 0.0556(13) Uani 1 1 d . . . . . N18 N -0.1428(2) 0.7351(2) 0.66411(15) 0.0602(14) Uani 1 1 d . . . . . N19 N -0.1524(3) 0.7910(2) 0.70122(17) 0.0648(15) Uani 1 1 d . . . . . N20 N -0.1546(3) 0.6987(3) 0.75810(14) 0.0613(14) Uani 1 1 d . . . . . N21 N 0.4091(3) 0.6441(3) 0.54823(17) 0.0767(17) Uani 1 1 d . . . . . N22 N 0.4374(3) 0.7303(3) 0.56863(18) 0.0791(17) Uani 1 1 d . . . . . N23 N 0.3512(3) 0.7921(3) 0.53826(18) 0.0779(17) Uani 1 1 d . . . . . N24 N 0.3222(3) 0.7031(3) 0.51787(17) 0.0823(18) Uani 1 1 d . . . . . N25 N 0.5644(2) 0.3380(2) 0.83615(13) 0.0526(12) Uani 1 1 d . . . . . N26 N 0.3418(2) 0.3653(3) 0.86351(15) 0.0601(14) Uani 1 1 d . . . . . N27 N 0.1614(3) 0.1815(4) 0.82447(19) 0.0938(19) Uani 1 1 d . . . . . N28 N 0.1031(3) 0.1888(3) 0.69705(15) 0.0648(14) Uani 1 1 d . . . . . N29 N 0.2364(2) 0.3593(2) 0.60397(15) 0.0633(13) Uani 1 1 d . . . . . N30 N 0.3868(3) 0.3805(3) 0.69177(14) 0.0679(14) Uani 1 1 d . . . . . N31 N 0.4472(3) 0.1739(3) 0.86852(17) 0.0743(17) Uani 1 1 d . . . . . N32 N 0.2934(3) 0.1645(2) 0.96251(14) 0.0576(13) Uani 1 1 d . . . . . N33 N 0.0591(2) 0.3356(2) 0.88323(14) 0.0566(12) Uani 1 1 d . . . . . N34 N 0.1095(3) 0.3758(3) 0.75481(15) 0.0703(16) Uani 1 1 d . . . . . N35 N 0.3701(3) 0.1886(4) 0.70402(18) 0.088(2) Uani 1 1 d . . . . . N36 N 0.5894(3) 0.1795(2) 0.73972(14) 0.0642(15) Uani 1 1 d . . . . . N37 N 0.4179(2) 0.7671(2) 0.80760(16) 0.0598(13) Uani 1 1 d . . . . . N38 N 0.3274(3) 0.7783(3) 0.68561(18) 0.0753(17) Uani 1 1 d . . . . . N39 N 0.1699(2) 0.5809(3) 0.64449(15) 0.0671(16) Uani 1 1 d . . . . . N40 N -0.0540(2) 0.6192(3) 0.66838(14) 0.0612(14) Uani 1 1 d . . . . . N41 N -0.0776(2) 0.7775(2) 0.76827(15) 0.0606(14) Uani 1 1 d . . . . . N42 N 0.1461(3) 0.7748(3) 0.78704(18) 0.0692(16) Uani 1 1 d . . . . . N43 N 0.4063(2) 0.5697(3) 0.75319(14) 0.0594(13) Uani 1 1 d . . . . . N44 N 0.4572(3) 0.6139(3) 0.62446(15) 0.0752(15) Uani 1 1 d . . . . . N45 N 0.2194(3) 0.7855(4) 0.5411(2) 0.091(2) Uani 1 1 d . . . . . N46 N 0.0801(3) 0.7834(3) 0.64372(19) 0.0793(17) Uani 1 1 d . . . . . N47 N 0.1253(2) 0.5700(2) 0.81513(13) 0.0576(12) Uani 1 1 d . . . . . N48 N 0.2663(2) 0.6075(2) 0.90074(13) 0.0542(12) Uani 1 1 d . . . . . O1 O 0.3414(2) 0.4126(2) 0.80574(13) 0.0666(13) Uani 1 1 d . . . . . O2 O 0.2475(3) 0.1369(3) 0.80345(18) 0.0961(19) Uani 1 1 d . . . . . O3 O 0.2933(2) 0.4205(2) 0.70625(13) 0.0794(12) Uani 1 1 d . . . . . O4 O 0.3779(3) 0.1320(2) 0.85171(15) 0.0857(14) Uani 1 1 d . . . . . O5 O 0.1705(2) 0.4181(2) 0.77922(13) 0.0689(12) Uani 1 1 d . . . . . O6 O 0.3876(3) 0.1354(3) 0.76212(17) 0.0949(19) Uani 1 1 d . . . . . O7 O 0.4278(2) 0.7430(3) 0.68653(15) 0.0791(15) Uani 1 1 d . . . . . O8 O 0.1681(2) 0.5347(3) 0.70286(14) 0.0734(15) Uani 1 1 d . . . . . O9 O 0.1146(2) 0.7427(2) 0.84133(14) 0.0725(14) Uani 1 1 d . . . . . O10 O 0.3451(2) 0.5281(2) 0.72805(13) 0.0654(12) Uani 1 1 d . . . . . O11 O 0.0333(3) 0.7544(3) 0.60437(17) 0.0899(18) Uani 1 1 d . . . . . O12 O 0.2209(2) 0.5276(2) 0.80390(12) 0.0628(11) Uani 1 1 d . . . . . O13 O 0.3213(7) -0.0250(7) 0.7906(3) 0.190(5) Uani 1 1 d . . . . . O14 O 0.3438(7) -0.0529(5) 0.7420(4) 0.182(5) Uani 1 1 d . . . . . O15 O 0.2974(7) 0.0458(4) 0.7351(5) 0.207(6) Uani 1 1 d D . . . . O16 O 0.4070(4) 0.3052(4) 0.99743(17) 0.105(2) Uani 1 1 d . . . . . O17 O 0.3965(3) 0.3076(3) 0.93562(14) 0.0804(15) Uani 1 1 d . . . . . O18 O 0.4971(3) 0.2836(3) 0.9639(3) 0.112(3) Uani 1 1 d . . . . . O19 O 1.0297(3) 0.6054(3) 0.8590(2) 0.096(2) Uani 1 1 d . . . . . O20 O 1.0443(5) 0.5075(3) 0.8876(2) 0.128(3) Uani 1 1 d . . . . . O21 O 0.9515(4) 0.5658(5) 0.8933(2) 0.133(3) Uani 1 1 d . . . . . O22 O 0.5196(2) 0.6053(2) 0.75828(19) 0.0859(16) Uani 1 1 d . . . . . O23 O 0.5951(4) 0.6170(6) 0.7151(2) 0.147(4) Uani 1 1 d . . . . . O24 O 0.6145(6) 0.5319(4) 0.7592(3) 0.191(4) Uani 1 1 d . . . . . C1A C 0.7587(4) 0.1106(3) 0.7474(2) 0.076(2) Uani 1 1 d . . . . . C2A C 0.7163(5) 0.1138(4) 0.7208(2) 0.084(2) Uani 1 1 d . . . . . C3A C 0.7099(6) 0.1675(4) 0.6944(2) 0.101(3) Uani 1 1 d . . . . . C4A C 0.7498(5) 0.1958(5) 0.7053(3) 0.104(3) Uani 1 1 d . . . . . C5A C 0.7798(4) 0.1627(4) 0.7397(2) 0.087(2) Uani 1 1 d . . . . . C6A C 0.7794(5) 0.0603(4) 0.7813(3) 0.092(3) Uani 1 1 d . . . . . C7A C 0.6816(5) 0.0696(4) 0.7185(3) 0.097(3) Uani 1 1 d . . . . . C8A C 0.6716(9) 0.1890(8) 0.6593(3) 0.163(7) Uani 1 1 d . . . . . C9A C 0.7614(6) 0.2518(6) 0.6833(3) 0.127(4) Uani 1 1 d . . . . . C10A C 0.8255(5) 0.1718(6) 0.7621(4) 0.117(4) Uani 1 1 d . . . . . C1B C 0.6766(4) 0.3853(3) 0.8550(2) 0.0793(19) Uani 1 1 d . . . . . C2B C 0.6821(4) 0.3336(4) 0.88476(19) 0.084(2) Uani 1 1 d . . . . . C3B C 0.7316(3) 0.2933(4) 0.87947(18) 0.0722(19) Uani 1 1 d . . . . . C4B C 0.7550(3) 0.3155(3) 0.84577(19) 0.0628(17) Uani 1 1 d . . . . . C5B C 0.7222(4) 0.3745(3) 0.8316(2) 0.0758(19) Uani 1 1 d . . . . . C6B C 0.6344(5) 0.4438(4) 0.8490(3) 0.118(3) Uani 1 1 d . . . . . C7B C 0.6430(5) 0.3315(7) 0.9153(3) 0.136(4) Uani 1 1 d . . . . . C8B C 0.7569(4) 0.2337(6) 0.9032(3) 0.123(4) Uani 1 1 d . . . . . C9B C 0.8059(3) 0.2870(5) 0.8277(3) 0.090(3) Uani 1 1 d . . . . . C10B C 0.7339(4) 0.4138(4) 0.7995(3) 0.104(3) Uani 1 1 d . . . . . C1C C -0.0209(4) 0.1697(5) 0.6654(4) 0.115(4) Uani 1 1 d . . . . . C2C C -0.0335(4) 0.2068(6) 0.6287(4) 0.134(4) Uani 1 1 d . . . . . C3C C 0.0030(5) 0.1817(4) 0.6103(3) 0.118(3) Uani 1 1 d . . . . . C4C C 0.0405(5) 0.1297(5) 0.6273(3) 0.120(3) Uani 1 1 d . . . . . C5C C 0.0215(5) 0.1221(4) 0.6672(3) 0.108(3) Uani 1 1 d . . . . . C6C C -0.0556(7) 0.1854(8) 0.6953(7) 0.214(7) Uani 1 1 d . . . . . C7C C -0.0785(7) 0.2608(10) 0.6244(12) 0.31(2) Uani 1 1 d . . . . . C8C C 0.0079(9) 0.2044(9) 0.5692(4) 0.187(6) Uani 1 1 d . . . . . C9C C 0.0828(9) 0.0876(6) 0.6163(5) 0.173(6) Uani 1 1 d . . . . . C10C C 0.0493(7) 0.0694(7) 0.6974(5) 0.172(6) Uani 1 1 d . . . . . C1D C 0.2505(4) 0.3664(5) 0.5214(2) 0.087(3) Uani 1 1 d . . . . . C2D C 0.2228(5) 0.3261(5) 0.5148(2) 0.093(3) Uani 1 1 d . . . . . C3D C 0.1599(4) 0.3420(4) 0.5115(2) 0.081(2) Uani 1 1 d . . . . . C4D C 0.1437(4) 0.4003(4) 0.5136(2) 0.080(2) Uani 1 1 d . . . . . C5D C 0.1983(4) 0.4124(4) 0.5199(3) 0.091(3) Uani 1 1 d . . . . . C6D C 0.3158(5) 0.3676(6) 0.5266(4) 0.120(4) Uani 1 1 d . . . . . C7D C 0.2597(7) 0.2703(7) 0.5114(3) 0.128(5) Uani 1 1 d . . . . . C8D C 0.1124(5) 0.3114(5) 0.5060(3) 0.117(3) Uani 1 1 d . . . . . C9D C 0.0775(5) 0.4359(8) 0.5090(4) 0.135(6) Uani 1 1 d . . . . . C10D C 0.2079(7) 0.4672(6) 0.5235(4) 0.129(5) Uani 1 1 d . . . . . C1E C 0.2519(4) 0.0898(4) 1.0515(2) 0.075(2) Uani 1 1 d . . . . . C2E C 0.3095(4) 0.0997(4) 1.0445(2) 0.073(2) Uani 1 1 d . . . . . C3E C 0.3138(4) 0.1523(4) 1.0484(2) 0.085(3) Uani 1 1 d . . . . . C4E C 0.2574(6) 0.1763(5) 1.0602(2) 0.104(4) Uani 1 1 d . . . . . C5E C 0.2161(6) 0.1389(6) 1.0607(2) 0.120(4) Uani 1 1 d . . . . . C6E C 0.2290(5) 0.0385(5) 1.0510(4) 0.118(4) Uani 1 1 d . . . . . C7E C 0.3614(4) 0.0588(4) 1.0342(3) 0.085(3) Uani 1 1 d . . . . . C8E C 0.3707(7) 0.1773(7) 1.0454(3) 0.134(4) Uani 1 1 d . . . . . C9E C 0.2398(11) 0.2313(6) 1.0694(3) 0.171(7) Uani 1 1 d . . . . . C10E C 0.1548(7) 0.1468(9) 1.0723(3) 0.183(8) Uani 1 1 d . . . . . C1F C -0.0545(3) 0.2833(3) 0.9571(2) 0.0710(19) Uani 1 1 d . . . . . C2F C -0.0287(3) 0.3133(3) 0.97870(18) 0.0655(17) Uani 1 1 d . . . . . C3F C -0.0340(3) 0.3696(3) 0.9567(2) 0.0712(19) Uani 1 1 d . . . . . C4F C -0.0583(3) 0.3749(4) 0.9220(2) 0.080(3) Uani 1 1 d . . . . . C5F C -0.0698(3) 0.3196(4) 0.9237(2) 0.079(2) Uani 1 1 d . . . . . C6F C -0.0619(4) 0.2226(4) 0.9712(4) 0.108(4) Uani 1 1 d . . . . . C7F C -0.0038(4) 0.2910(5) 1.0167(2) 0.087(3) Uani 1 1 d . . . . . C8F C -0.0184(4) 0.4180(4) 0.9673(3) 0.092(3) Uani 1 1 d . . . . . C9F C -0.0723(4) 0.4264(6) 0.8904(3) 0.120(4) Uani 1 1 d . . . . . C10F C -0.0978(4) 0.3048(6) 0.8930(3) 0.117(4) Uani 1 1 d . . . . . C1G C 0.2644(3) 0.5825(4) 0.98370(18) 0.0704(19) Uani 1 1 d . . . . . C2G C 0.3281(3) 0.5726(3) 0.99149(17) 0.0656(18) Uani 1 1 d . . . . . C3G C 0.3406(3) 0.6268(4) 0.99222(16) 0.0681(18) Uani 1 1 d . . . . . C4G C 0.2851(4) 0.6674(3) 0.98599(18) 0.075(2) Uani 1 1 d . . . . . C5G C 0.2366(3) 0.6414(4) 0.97891(18) 0.0691(19) Uani 1 1 d . . . . . C6G C 0.2326(5) 0.5382(5) 0.9810(3) 0.109(3) Uani 1 1 d . . . . . C7G C 0.3745(5) 0.5174(5) 1.0003(2) 0.103(4) Uani 1 1 d . . . . . C8G C 0.4022(3) 0.6346(4) 0.9997(2) 0.086(2) Uani 1 1 d . . . . . C9G C 0.2740(8) 0.7283(5) 0.9852(3) 0.119(4) Uani 1 1 d . . . . . C10G C 0.1680(4) 0.6634(6) 0.9725(3) 0.108(4) Uani 1 1 d . . . . . C1H C 0.5260(4) 0.7686(4) 0.8893(3) 0.088(2) Uani 1 1 d . . . . . C2H C 0.5315(3) 0.7906(3) 0.8517(3) 0.083(2) Uani 1 1 d . . . . . C3H C 0.4827(4) 0.8455(3) 0.8388(3) 0.092(3) Uani 1 1 d . . . . . C4H C 0.4509(4) 0.8501(3) 0.8696(3) 0.092(2) Uani 1 1 d . . . . . C5H C 0.4758(4) 0.8042(3) 0.8990(2) 0.0734(18) Uani 1 1 d . . . . . C6H C 0.5670(5) 0.7174(5) 0.9122(3) 0.111(3) Uani 1 1 d . . . . . C7H C 0.5804(4) 0.7697(5) 0.8307(3) 0.112(3) Uani 1 1 d . . . . . C8H C 0.4733(5) 0.8849(4) 0.8028(4) 0.121(4) Uani 1 1 d . . . . . C9H C 0.4022(5) 0.8988(4) 0.8710(3) 0.108(3) Uani 1 1 d . . . . . C10H C 0.4547(6) 0.7944(5) 0.9371(3) 0.117(3) Uani 1 1 d . . . . . C1I C -0.1709(4) 0.6248(4) 0.6190(2) 0.0571(19) Uani 0.772(7) 1 d . . P A 1 C2I C -0.1812(4) 0.5854(4) 0.6503(2) 0.068(2) Uani 0.772(7) 1 d . . P A 1 C3I C -0.2279(4) 0.6086(4) 0.6687(3) 0.068(2) Uani 0.772(7) 1 d . . P A 1 C4I C -0.2474(3) 0.6679(5) 0.6500(3) 0.083(3) Uani 0.772(7) 1 d . . P A 1 C5I C -0.2110(4) 0.6779(5) 0.6172(3) 0.075(2) Uani 0.772(7) 1 d . . P A 1 C6I C -0.1278(6) 0.6147(6) 0.5922(3) 0.092(3) Uani 0.772(7) 1 d . . P A 1 C7I C -0.1434(8) 0.5217(6) 0.6622(4) 0.113(4) Uani 0.772(7) 1 d . . P A 1 C8I C -0.2493(6) 0.5697(6) 0.7019(4) 0.099(4) Uani 0.772(7) 1 d . . P A 1 C9I C -0.2938(5) 0.7048(8) 0.6643(4) 0.127(5) Uani 0.772(7) 1 d . . P A 1 C10I C -0.2164(8) 0.7295(7) 0.5867(4) 0.127(5) Uani 0.772(7) 1 d . . P A 1 C11I C -0.1805(6) 0.6475(4) 0.6123(3) 0.059(7) Uiso 0.228(7) 1 d D . P A 2 C12I C -0.2241(8) 0.6778(5) 0.6295(4) 0.094(12) Uiso 0.228(7) 1 d DG . P A 2 C13I C -0.2343(11) 0.6395(7) 0.6616(5) 0.067(8) Uiso 0.228(7) 1 d DG . P A 2 C14I C -0.1970(12) 0.5854(6) 0.6642(5) 0.120(16) Uiso 0.228(7) 1 d DG . P A 2 C15I C -0.1638(9) 0.5903(5) 0.6337(4) 0.110(15) Uiso 0.228(7) 1 d DG . P A 2 C16I C -0.1421(10) 0.6585(9) 0.5809(5) 0.108(14) Uiso 0.228(7) 1 d D . P A 2 C17I C -0.2501(11) 0.7371(6) 0.6097(5) 0.085(8) Uiso 0.228(7) 1 d D . P A 2 C18I C -0.2685(11) 0.6294(8) 0.6932(4) 0.106(12) Uiso 0.228(7) 1 d D . P A 2 C19I C -0.1930(11) 0.5218(6) 0.6832(6) 0.094(10) Uiso 0.228(7) 1 d D . P A 2 C20I C -0.1102(10) 0.5388(7) 0.6301(7) 0.147(18) Uiso 0.228(7) 1 d D . P A 2 C1J C -0.2022(4) 0.8346(4) 0.7935(2) 0.085(2) Uani 1 1 d . . . . . C2J C -0.2162(4) 0.8702(4) 0.7577(3) 0.091(3) Uani 1 1 d . . . . . C3J C -0.2583(4) 0.8502(5) 0.7396(3) 0.097(3) Uani 1 1 d . . . . . C4J C -0.2676(3) 0.8004(4) 0.7648(3) 0.088(2) Uani 1 1 d . . . . . C5J C -0.2334(4) 0.7886(4) 0.7974(2) 0.086(2) Uani 1 1 d . . . . . C6J C -0.1630(6) 0.8451(6) 0.8199(3) 0.122(4) Uani 1 1 d . . . . . C7J C -0.1928(9) 0.9273(6) 0.7432(4) 0.160(6) Uani 1 1 d . . . . . C8J C -0.2878(7) 0.8747(9) 0.7029(4) 0.163(7) Uani 1 1 d . . . . . C9J C -0.3102(5) 0.7669(5) 0.7564(3) 0.115(3) Uani 1 1 d . . . . . C10J C -0.2382(7) 0.7436(6) 0.8303(3) 0.130(5) Uani 1 1 d . . . . . C1K C 0.56373(17) 0.6710(2) 0.54168(12) 0.085(4) Uani 0.530(9) 1 d . . P B 1 C2K C 0.5873(2) 0.6527(3) 0.57732(14) 0.085(5) Uani 0.530(9) 1 d G . P B 1 C3K C 0.5875(3) 0.5946(3) 0.59151(17) 0.102(6) Uani 0.530(9) 1 d G . P B 1 C4K C 0.5641(3) 0.5771(3) 0.56463(19) 0.095(5) Uani 0.530(9) 1 d G . P B 1 C5K C 0.5494(2) 0.6244(3) 0.53384(15) 0.100(5) Uani 0.530(9) 1 d G . P B 1 C6K C 0.5554(3) 0.7299(3) 0.51655(19) 0.148(9) Uani 0.530(9) 1 d G . P B 1 C7K C 0.6084(4) 0.6885(4) 0.5967(2) 0.149(8) Uani 0.530(9) 1 d G . P B 1 C8K C 0.6089(4) 0.5579(5) 0.6286(2) 0.183(19) Uani 0.530(9) 1 d G . P B 1 C9K C 0.5562(5) 0.5186(4) 0.5682(3) 0.207(17) Uani 0.530(9) 1 d G . P B 1 C10K C 0.5231(4) 0.6249(4) 0.4989(2) 0.119(7) Uani 0.530(9) 1 d G . P B 1 C11K C 0.55451(18) 0.6695(2) 0.53254(12) 0.093(6) Uani 0.470(9) 1 d G . P B 2 C12K C 0.5753(2) 0.6774(2) 0.56393(15) 0.084(5) Uani 0.470(9) 1 d G . P B 2 C13K C 0.5871(3) 0.6245(3) 0.59068(15) 0.079(5) Uani 0.470(9) 1 d G . P B 2 C14K C 0.5736(3) 0.5839(3) 0.57581(18) 0.076(5) Uani 0.470(9) 1 d G . P B 2 C15K C 0.5535(2) 0.6118(3) 0.53988(16) 0.084(6) Uani 0.470(9) 1 d G . P B 2 C16K C 0.5366(3) 0.7146(4) 0.49753(18) 0.123(10) Uani 0.470(9) 1 d G . P B 2 C17K C 0.5834(4) 0.7323(3) 0.5682(2) 0.153(12) Uani 0.470(9) 1 d G . P B 2 C18K C 0.6100(4) 0.6133(5) 0.6283(2) 0.113(7) Uani 0.470(9) 1 d G . P B 2 C19K C 0.5796(5) 0.5222(4) 0.5948(3) 0.42(4) Uani 0.470(9) 1 d G . P B 2 C20K C 0.5343(4) 0.5847(4) 0.5140(2) 0.189(17) Uani 0.470(9) 1 d G . P B 2 C1L C 0.2948(8) 0.8684(7) 0.4612(3) 0.143(5) Uani 1 1 d . . . . . C2L C 0.3093(5) 0.8235(6) 0.4486(3) 0.106(4) Uani 1 1 d . . . . . C3L C 0.2511(8) 0.8031(6) 0.4468(3) 0.129(5) Uani 1 1 d . . . . . C4L C 0.2063(7) 0.8425(10) 0.4589(4) 0.166(8) Uani 1 1 d . . . . . C5L C 0.2346(10) 0.8758(9) 0.4650(5) 0.174(8) Uani 1 1 d . . . . . C6L C 0.3411(14) 0.9010(10) 0.4598(8) 0.230(10) Uani 1 1 d . . . . . C7L C 0.3729(13) 0.7981(15) 0.4349(6) 0.232(14) Uani 1 1 d . . . . . C8L C 0.2397(15) 0.7501(12) 0.4356(6) 0.254(11) Uani 1 1 d . . . . . C9L C 0.1474(11) 0.8320(15) 0.4619(9) 0.263(17) Uani 1 1 d . . . . . C10L C 0.215(3) 0.9237(13) 0.4776(6) 0.40(3) Uani 1 1 d . . . . . C1 C 0.6733(3) 0.2241(3) 0.80488(16) 0.0525(14) Uani 1 1 d . . . . . C2 C 0.6652(3) 0.2730(3) 0.77570(15) 0.0520(14) Uani 1 1 d . . . . . C3 C 0.6368(3) 0.3279(3) 0.72294(17) 0.0602(16) Uani 1 1 d . . . . . C4 C 0.6155(5) 0.3508(4) 0.6875(2) 0.090(3) Uani 1 1 d . . . . . C5 C 0.5901(5) 0.4079(4) 0.6754(2) 0.088(3) Uani 1 1 d . . . . . C6 C 0.5899(5) 0.4424(3) 0.6987(3) 0.087(3) Uani 1 1 d . . . . . C7 C 0.6123(4) 0.4194(3) 0.7341(2) 0.074(2) Uani 1 1 d . . . . . C8 C 0.6342(3) 0.3611(3) 0.74631(17) 0.0565(15) Uani 1 1 d . . . . . C9 C 0.6632(3) 0.1743(3) 0.85750(17) 0.0596(16) Uani 1 1 d . . . . . C10 C 0.6524(4) 0.1529(4) 0.89268(19) 0.074(2) Uani 1 1 d . . . . . C11 C 0.6495(5) 0.0974(3) 0.9049(2) 0.081(3) Uani 1 1 d . . . . . C12 C 0.6592(4) 0.0611(3) 0.8810(2) 0.076(2) Uani 1 1 d . . . . . C13 C 0.6671(4) 0.0825(3) 0.8464(2) 0.071(2) Uani 1 1 d . . . . . C14 C 0.6708(4) 0.1401(3) 0.83307(18) 0.0653(18) Uani 1 1 d . . . . . C15 C 0.1043(3) 0.2911(3) 0.6081(2) 0.0645(17) Uani 1 1 d . . . . . C16 C 0.1506(3) 0.2460(3) 0.60620(18) 0.0607(16) Uani 1 1 d . . . . . C17 C 0.2057(4) 0.1601(3) 0.6228(2) 0.075(2) Uani 1 1 d . . . . . C18 C 0.2323(7) 0.1019(5) 0.6391(4) 0.119(4) Uani 1 1 d . . . . . C19 C 0.2955(6) 0.0839(5) 0.6310(4) 0.123(5) Uani 1 1 d . . . . . C20 C 0.3261(7) 0.1180(7) 0.6137(4) 0.131(5) Uani 1 1 d . . . . . C21 C 0.3027(5) 0.1784(4) 0.5976(3) 0.098(3) Uani 1 1 d . . . . . C22 C 0.2412(4) 0.1962(4) 0.6031(2) 0.078(2) Uani 1 1 d . . . . . C23 C 0.0616(4) 0.3799(4) 0.6061(3) 0.095(3) Uani 0.585(13) 1 d . . P C 3 C24 C 0.0418(9) 0.4348(8) 0.5952(8) 0.135(9) Uani 0.585(13) 1 d . . P C 3 C25 C -0.0140(12) 0.4554(7) 0.6119(10) 0.236(12) Uani 0.585(13) 1 d . . P C 3 C26 C -0.0559(18) 0.417(2) 0.6521(16) 0.24(2) Uani 0.585(13) 1 d . . P C 3 C27 C -0.0195(9) 0.3591(8) 0.6430(6) 0.131(6) Uani 0.585(13) 1 d . . P C 3 C28 C 0.0282(6) 0.3405(8) 0.6245(5) 0.112(6) Uani 0.585(13) 1 d . . P C 3 C23' C 0.0616(4) 0.3799(4) 0.6061(3) 0.095(3) Uani 0.415(13) 1 d . . P C 4 C24' C 0.0496(8) 0.4348(9) 0.6089(6) 0.076(6) Uani 0.415(13) 1 d . . P C 4 C25' C 0.0081(15) 0.4556(13) 0.6279(9) 0.210(13) Uani 0.415(13) 1 d . . P C 4 C26' C -0.0267(8) 0.4174(10) 0.6470(6) 0.099(7) Uani 0.415(13) 1 d . . P C 4 C27' C -0.0105(10) 0.3627(10) 0.6566(4) 0.081(6) Uani 0.415(13) 1 d . . P C 4 C28' C 0.0275(13) 0.3449(11) 0.6373(7) 0.113(9) Uani 0.415(13) 1 d . . P C 4 C29 C 0.1453(3) 0.2610(3) 0.97191(15) 0.0527(14) Uani 1 1 d . . . . . C30 C 0.1275(3) 0.2123(2) 0.96729(17) 0.0532(14) Uani 1 1 d . . . . . C31 C 0.1352(4) 0.1311(3) 0.9614(2) 0.0688(19) Uani 1 1 d . . . . . C32 C 0.1525(4) 0.0738(3) 0.9615(3) 0.089(2) Uani 1 1 d . . . . . C33 C 0.1175(5) 0.0564(4) 0.9407(4) 0.101(3) Uani 1 1 d . . . . . C34 C 0.0663(5) 0.0917(4) 0.9218(3) 0.102(3) Uani 1 1 d . . . . . C35 C 0.0443(4) 0.1503(4) 0.9200(2) 0.092(2) Uani 1 1 d . . . . . C36 C 0.0813(4) 0.1681(3) 0.94088(19) 0.0692(17) Uani 1 1 d . . . . . C37 C 0.1494(3) 0.3480(3) 0.96203(19) 0.0607(15) Uani 1 1 d . . . . . C38 C 0.1438(4) 0.4064(3) 0.9509(3) 0.077(2) Uani 1 1 d . . . . . C39 C 0.1911(5) 0.4272(3) 0.9553(4) 0.122(4) Uani 1 1 d . . . . . C40 C 0.2486(4) 0.3919(4) 0.9724(4) 0.135(4) Uani 1 1 d . . . . . C41 C 0.2568(4) 0.3329(4) 0.9841(3) 0.091(2) Uani 1 1 d . . . . . C42 C 0.2058(3) 0.3111(3) 0.9792(2) 0.0656(17) Uani 1 1 d . . . . . C43 C 0.3952(3) 0.6787(3) 0.89760(17) 0.0565(14) Uani 1 1 d . . . . . C44 C 0.3447(3) 0.7272(2) 0.89240(16) 0.0543(13) Uani 1 1 d . . . . . C45 C 0.2532(3) 0.7743(3) 0.89020(19) 0.0605(15) Uani 1 1 d . . . . . C46 C 0.1894(3) 0.7946(3) 0.8918(2) 0.075(2) Uani 1 1 d . . . . . C47 C 0.1642(4) 0.8510(4) 0.8722(3) 0.091(3) Uani 1 1 d . . . . . C48 C 0.1999(4) 0.8858(4) 0.8512(3) 0.097(3) Uani 1 1 d . . . . . C49 C 0.2609(4) 0.8654(3) 0.8519(3) 0.079(2) Uani 1 1 d . . . . . C50 C 0.2881(3) 0.8106(3) 0.8702(2) 0.0646(17) Uani 1 1 d . . . . . C51 C 0.4813(2) 0.6289(2) 0.88983(16) 0.0503(13) Uani 1 1 d . . . . . C52 C 0.5389(3) 0.6062(3) 0.8806(2) 0.0674(18) Uani 1 1 d . . . . . C53 C 0.5613(3) 0.5478(4) 0.8931(2) 0.073(2) Uani 1 1 d . . . . . C54 C 0.5264(3) 0.5130(3) 0.9132(2) 0.0685(19) Uani 1 1 d . . . . . C55 C 0.4683(3) 0.5341(3) 0.92263(19) 0.0620(17) Uani 1 1 d . . . . . C56 C 0.4450(2) 0.5935(3) 0.91100(15) 0.0510(13) Uani 1 1 d . . . . . C21I C -0.1532(3) 0.6926(3) 0.72573(16) 0.0529(14) Uani 1 1 d . . . . . C58 C -0.1519(3) 0.7418(3) 0.69617(16) 0.0524(14) Uani 1 1 d . . . . . C59 C -0.1349(3) 0.7887(3) 0.64499(18) 0.0647(17) Uani 1 1 d . . . . . C60 C -0.1219(4) 0.8074(4) 0.6090(2) 0.085(2) Uani 1 1 d . . . . . C61 C -0.1131(5) 0.8640(4) 0.5974(3) 0.104(3) Uani 1 1 d . . . . . C62 C -0.1218(7) 0.8994(5) 0.6216(3) 0.113(4) Uani 1 1 d . . . . . C63 C -0.1355(5) 0.8784(4) 0.6551(3) 0.094(3) Uani 1 1 d . . . . . C64 C -0.1414(3) 0.8232(3) 0.6676(2) 0.0667(19) Uani 1 1 d . . . . . C65 C -0.1469(4) 0.6427(3) 0.77845(18) 0.0639(17) Uani 1 1 d . . . . . C66 C -0.1427(5) 0.6172(4) 0.8151(2) 0.085(3) Uani 1 1 d . . . . . C67 C -0.1390(6) 0.5594(4) 0.8277(3) 0.101(3) Uani 1 1 d . . . . . C68 C -0.1347(6) 0.5250(4) 0.8045(3) 0.099(3) Uani 1 1 d . . . . . C69 C -0.1379(4) 0.5480(3) 0.7682(2) 0.078(2) Uani 1 1 d . . . . . C70 C -0.1435(3) 0.6073(3) 0.75567(19) 0.0643(18) Uani 1 1 d . . . . . C71 C 0.3752(3) 0.6949(4) 0.5367(2) 0.0757(19) Uani 1 1 d . . . . . C72 C 0.3890(3) 0.7390(4) 0.5468(2) 0.079(2) Uani 1 1 d . . . . . C73 C 0.4308(4) 0.7822(5) 0.5759(2) 0.095(2) Uani 1 1 d . . . . . C74 C 0.4657(5) 0.7994(4) 0.5984(3) 0.099(3) Uani 1 1 d . . . . . C75 C 0.4478(6) 0.8521(5) 0.6012(4) 0.116(4) Uani 1 1 d . . . . . C76 C 0.3906(8) 0.8933(5) 0.5821(4) 0.134(5) Uani 1 1 d . . . . . C77 C 0.3555(5) 0.8772(5) 0.5583(3) 0.101(3) Uani 1 1 d . . . . . C78 C 0.3776(4) 0.8211(4) 0.5574(2) 0.089(2) Uani 1 1 d . . . . . C79 C 0.3222(4) 0.6502(4) 0.5155(2) 0.086(2) Uani 1 1 d . . . . . C80 C 0.2834(5) 0.6258(5) 0.4991(3) 0.115(3) Uani 1 1 d . . . . . C81 C 0.2985(6) 0.5717(6) 0.5013(4) 0.130(4) Uani 1 1 d . . . . . C82 C 0.3522(7) 0.5330(6) 0.5204(4) 0.134(4) Uani 1 1 d . . . . . C83 C 0.3891(5) 0.5532(5) 0.5384(3) 0.107(3) Uani 1 1 d . . . . . C84 C 0.3787(4) 0.6113(4) 0.5354(2) 0.093(2) Uani 1 1 d . . . . . C85 C 0.5319(3) 0.3848(3) 0.81411(18) 0.0573(15) Uani 1 1 d . . . . . C86 C 0.4691(3) 0.4022(3) 0.81280(17) 0.0564(15) Uani 1 1 d . . . . . C87 C 0.4376(3) 0.3681(3) 0.83634(16) 0.0564(14) Uani 1 1 d . . . . . C88 C 0.4715(3) 0.3191(3) 0.86073(17) 0.0577(15) Uani 1 1 d . . . . . C89 C 0.5347(3) 0.3042(3) 0.85933(17) 0.0567(15) Uani 1 1 d . . . . . C90 C 0.3690(3) 0.3838(3) 0.83402(18) 0.0576(15) Uani 1 1 d . . . . . C91 C 0.2754(3) 0.3733(3) 0.86484(19) 0.0621(16) Uani 1 1 d . . . . . C92 C 0.2545(3) 0.3209(3) 0.86325(17) 0.0576(15) Uani 1 1 d . . . . . C93 C 0.2700(3) 0.2968(3) 0.83561(18) 0.0650(17) Uani 1 1 d . . . . . C94 C 0.2508(4) 0.2499(3) 0.8340(2) 0.0701(19) Uani 1 1 d . . . . . C95 C 0.2165(4) 0.2232(3) 0.86083(19) 0.0689(18) Uani 1 1 d . . . . . C96 C 0.2010(3) 0.2472(3) 0.88774(18) 0.0674(18) Uani 1 1 d . . . . . C97 C 0.2205(3) 0.2952(3) 0.88944(17) 0.0643(17) Uani 1 1 d . . . . . C98 C 0.1948(4) 0.1707(4) 0.8584(2) 0.090(2) Uani 1 1 d . . . . . C99 C 0.1936(4) 0.1610(4) 0.7991(2) 0.078(2) Uani 1 1 d . . . . . C100 C 0.1522(3) 0.1454(3) 0.7105(2) 0.0712(19) Uani 1 1 d . . . . . C101 C 0.1809(4) 0.1362(3) 0.7439(2) 0.0708(18) Uani 1 1 d . . . . . C102 C 0.1592(3) 0.1716(3) 0.7647(2) 0.0725(17) Uani 1 1 d . . . . . C103 C 0.1064(4) 0.2156(3) 0.7508(2) 0.079(2) Uani 1 1 d . . . . . C104 C 0.0819(4) 0.2238(4) 0.7174(2) 0.079(2) Uani 1 1 d . . . . . C105 C 0.2903(3) 0.3276(3) 0.61842(17) 0.0627(15) Uani 1 1 d . . . . . C106 C 0.3229(3) 0.3374(3) 0.64447(18) 0.0641(16) Uani 1 1 d . . . . . C107 C 0.2970(3) 0.3845(3) 0.65696(17) 0.0636(14) Uani 1 1 d . . . . . C108 C 0.2413(3) 0.4173(3) 0.64204(19) 0.0678(16) Uani 1 1 d . . . . . C109 C 0.2116(3) 0.4041(3) 0.6152(2) 0.0690(17) Uani 1 1 d . . . . . C110 C 0.3260(3) 0.3973(3) 0.68672(19) 0.0666(16) Uani 1 1 d . . . . . C111 C 0.4235(3) 0.3825(3) 0.72315(19) 0.0706(16) Uani 1 1 d . . . . . C112 C 0.4379(3) 0.3290(3) 0.75141(17) 0.0643(15) Uani 1 1 d . . . . . C113 C 0.3926(3) 0.3011(3) 0.7679(2) 0.0677(16) Uani 1 1 d . . . . . C114 C 0.4073(3) 0.2524(4) 0.7941(2) 0.076(2) Uani 1 1 d . . . . . C115 C 0.4684(3) 0.2260(3) 0.80804(18) 0.0626(16) Uani 1 1 d . . . . . C116 C 0.5130(3) 0.2527(3) 0.79326(18) 0.0666(16) Uani 1 1 d . . . . . C117 C 0.4972(3) 0.3038(3) 0.76540(19) 0.0717(17) Uani 1 1 d . . . . . C118 C 0.4831(3) 0.1722(4) 0.8378(2) 0.074(2) Uani 1 1 d . . . . . C119 C 0.3975(3) 0.1528(3) 0.8733(2) 0.0688(17) Uani 1 1 d . . . . . C120 C 0.2956(4) 0.1216(3) 0.9470(2) 0.0664(18) Uani 1 1 d . . . . . C121 C 0.3290(3) 0.1170(3) 0.91932(19) 0.0661(17) Uani 1 1 d . . . . . C122 C 0.3631(3) 0.1574(3) 0.90556(19) 0.0662(17) Uani 1 1 d . . . . . C123 C 0.3618(3) 0.1995(3) 0.9209(2) 0.0709(18) Uani 1 1 d . . . . . C124 C 0.3261(3) 0.2027(3) 0.94884(18) 0.0619(15) Uani 1 1 d . . . . . C125 C 0.0779(3) 0.3836(3) 0.87334(17) 0.0578(15) Uani 1 1 d . . . . . C126 C 0.1010(3) 0.4024(3) 0.84029(19) 0.0640(17) Uani 1 1 d . . . . . C127 C 0.1022(3) 0.3718(3) 0.81686(17) 0.0579(15) Uani 1 1 d . . . . . C128 C 0.0801(3) 0.3216(3) 0.82635(18) 0.0687(17) Uani 1 1 d . . . . . C129 C 0.0606(3) 0.3045(3) 0.86020(18) 0.0632(15) Uani 1 1 d . . . . . C130 C 0.1299(3) 0.3909(3) 0.78160(18) 0.0614(16) Uani 1 1 d . . . . . C131 C 0.1362(4) 0.3855(4) 0.71937(18) 0.078(2) Uani 1 1 d . . . . . C132 C 0.1776(3) 0.3358(3) 0.71455(17) 0.0666(17) Uani 1 1 d . . . . . C133 C 0.2302(4) 0.3046(3) 0.73948(18) 0.0735(19) Uani 1 1 d . . . . . C134 C 0.2680(4) 0.2582(4) 0.7353(2) 0.0759(19) Uani 1 1 d . . . . . C135 C 0.2616(3) 0.2387(4) 0.7063(2) 0.0783(19) Uani 1 1 d . . . . . C136 C 0.2104(3) 0.2692(4) 0.6815(2) 0.090(2) Uani 1 1 d . . . . . C137 C 0.1706(3) 0.3132(4) 0.68701(19) 0.0758(19) Uani 1 1 d . . . . . C138 C 0.3059(4) 0.1858(4) 0.7012(3) 0.088(2) Uani 1 1 d . . . . . C139 C 0.4066(4) 0.1639(4) 0.7338(2) 0.081(2) Uani 1 1 d . . . . . C140 C 0.5716(4) 0.1346(3) 0.76082(19) 0.0705(19) Uani 1 1 d . . . . . C141 C 0.5142(4) 0.1281(4) 0.7599(2) 0.080(2) Uani 1 1 d . . . . . C142 C 0.4689(4) 0.1702(3) 0.73406(18) 0.0726(19) Uani 1 1 d . . . . . C143 C 0.4895(4) 0.2141(3) 0.7126(2) 0.0694(19) Uani 1 1 d . . . . . C144 C 0.5497(4) 0.2181(3) 0.71610(19) 0.0675(18) Uani 1 1 d . . . . . C145 C 0.4513(3) 0.7284(3) 0.7948(2) 0.0691(18) Uani 1 1 d . . . . . C146 C 0.4403(3) 0.7261(3) 0.76040(19) 0.0617(16) Uani 1 1 d . . . . . C147 C 0.3920(3) 0.7647(3) 0.7395(2) 0.0670(17) Uani 1 1 d . . . . . C148 C 0.3559(3) 0.8058(3) 0.7523(2) 0.0668(18) Uani 1 1 d . . . . . C149 C 0.3707(3) 0.8064(3) 0.7871(2) 0.0658(18) Uani 1 1 d . . . . . C150 C 0.3837(3) 0.7618(3) 0.7016(2) 0.0663(18) Uani 1 1 d . . . . . C151 C 0.3153(4) 0.7752(4) 0.6503(2) 0.077(2) Uani 1 1 d . . . . . C152 C 0.2957(3) 0.7225(4) 0.64965(18) 0.071(2) Uani 1 1 d . . . . . C153 C 0.3045(4) 0.7017(4) 0.61951(19) 0.077(2) Uani 1 1 d . . . . . C154 C 0.2844(4) 0.6553(4) 0.6172(2) 0.079(2) Uani 1 1 d . . . . . C155 C 0.2574(3) 0.6254(3) 0.64509(18) 0.0644(18) Uani 1 1 d . . . . . C156 C 0.2508(3) 0.6429(3) 0.67518(19) 0.0663(17) Uani 1 1 d . . . . . C157 C 0.2686(3) 0.6913(4) 0.6773(2) 0.073(2) Uani 1 1 d . . . . . C158 C 0.2366(3) 0.5721(3) 0.64368(19) 0.0639(18) Uani 1 1 d . . . . . C159 C 0.1416(3) 0.5626(3) 0.67369(16) 0.0558(15) Uani 1 1 d . . . . . C160 C -0.0243(3) 0.5719(3) 0.69202(18) 0.0593(16) Uani 1 1 d . . . . . C161 C 0.0392(3) 0.5512(3) 0.69478(18) 0.0609(17) Uani 1 1 d . . . . . C162 C 0.0721(3) 0.5814(3) 0.67040(16) 0.0553(15) Uani 1 1 d . . . . . C163 C 0.0416(3) 0.6292(3) 0.6443(2) 0.0654(18) Uani 1 1 d . . . . . C164 C -0.0211(3) 0.6488(4) 0.64479(19) 0.0665(18) Uani 1 1 d . . . . . C165 C -0.0514(3) 0.7358(3) 0.7990(2) 0.0685(19) Uani 1 1 d . . . . . C166 C 0.0068(3) 0.7310(3) 0.8118(2) 0.071(2) Uani 1 1 d . . . . . C167 C 0.0410(3) 0.7670(3) 0.79258(19) 0.0613(17) Uani 1 1 d . . . . . C168 C 0.0144(4) 0.8085(4) 0.7621(2) 0.073(2) Uani 1 1 d . . . . . C169 C -0.0453(3) 0.8126(3) 0.7509(2) 0.0663(18) Uani 1 1 d . . . . . C170 C 0.1046(3) 0.7610(3) 0.8089(2) 0.0627(16) Uani 1 1 d . . . . . C171 C 0.2102(3) 0.7687(4) 0.7981(2) 0.0727(19) Uani 1 1 d . . . . . C172 C 0.2528(3) 0.7130(3) 0.79587(17) 0.0594(15) Uani 1 1 d . . . . . C173 C 0.2410(3) 0.6862(4) 0.7718(2) 0.073(2) Uani 1 1 d . . . . . C174 C 0.2807(3) 0.6359(4) 0.76944(19) 0.0698(18) Uani 1 1 d . . . . . C175 C 0.3365(3) 0.6137(3) 0.79105(16) 0.0564(14) Uani 1 1 d . . . . . C176 C 0.3480(3) 0.6419(3) 0.81508(17) 0.0608(16) Uani 1 1 d . . . . . C177 C 0.3063(3) 0.6890(3) 0.81800(17) 0.0617(16) Uani 1 1 d . . . . . C178 C 0.3782(3) 0.5601(3) 0.78803(17) 0.0630(17) Uani 1 1 d . . . . . C179 C 0.3868(3) 0.5541(3) 0.72605(18) 0.0580(15) Uani 1 1 d . . . . . C180 C 0.4340(3) 0.5682(3) 0.63188(19) 0.0696(18) Uani 1 1 d . . . . . C181 C 0.4122(3) 0.5471(3) 0.66531(18) 0.0620(16) Uani 1 1 d . . . . . C182 C 0.4145(3) 0.5738(3) 0.69142(18) 0.0605(15) Uani 1 1 d . . . . . C183 C 0.4389(3) 0.6208(3) 0.6832(2) 0.0711(18) Uani 1 1 d . . . . . C184 C 0.4584(4) 0.6402(4) 0.6492(2) 0.0789(19) Uani 1 1 d . . . . . C185 C 0.1868(4) 0.7442(4) 0.5461(2) 0.089(2) Uani 1 1 d . . . . . C186 C 0.1405(4) 0.7404(4) 0.5686(2) 0.086(2) Uani 1 1 d . . . . . C187 C 0.1290(4) 0.7764(4) 0.5892(2) 0.082(2) Uani 1 1 d . . . . . C188 C 0.1604(4) 0.8166(4) 0.5862(2) 0.084(2) Uani 1 1 d . . . . . C189 C 0.2075(4) 0.8184(4) 0.5615(3) 0.088(2) Uani 1 1 d . . . . . C190 C 0.0765(4) 0.7697(3) 0.6139(2) 0.073(2) Uani 1 1 d . . . . . C191 C 0.0342(4) 0.7772(4) 0.6691(2) 0.078(2) Uani 1 1 d . . . . . C192 C 0.0497(3) 0.7202(3) 0.69892(17) 0.0636(16) Uani 1 1 d . . . . . C193 C 0.1088(3) 0.6921(4) 0.7085(2) 0.077(2) Uani 1 1 d . . . . . C194 C 0.1228(3) 0.6399(3) 0.73679(19) 0.0652(18) Uani 1 1 d . . . . . C195 C 0.0763(3) 0.6196(3) 0.75515(17) 0.0621(16) Uani 1 1 d . . . . . C196 C 0.0159(3) 0.6510(3) 0.74422(18) 0.0626(16) Uani 1 1 d . . . . . C197 C 0.0042(3) 0.6991(3) 0.7185(2) 0.0710(18) Uani 1 1 d . . . . . C198 C 0.0921(3) 0.5644(3) 0.78491(17) 0.0622(15) Uani 1 1 d . . . . . C199 C 0.1856(3) 0.5527(3) 0.82180(15) 0.0531(13) Uani 1 1 d . . . . . C200 C 0.2945(3) 0.5593(3) 0.89238(16) 0.0575(15) Uani 1 1 d . . . . . C201 C 0.2685(3) 0.5401(3) 0.86821(17) 0.0590(16) Uani 1 1 d . . . . . C202 C 0.2127(2) 0.5704(2) 0.85059(14) 0.0480(13) Uani 1 1 d . . . . . C203 C 0.1839(3) 0.6194(3) 0.85944(17) 0.0587(15) Uani 1 1 d . . . . . C204 C 0.2132(3) 0.6376(3) 0.88370(17) 0.0585(15) Uani 1 1 d . . . . . O25 O 0.5848(5) 0.9882(4) 0.8039(3) 0.124(3) Uani 1 1 d . . . . . O26 O 0.6949(4) 0.9566(5) 0.8009(4) 0.175(5) Uani 1 1 d . . . . . O27 O 0.6310(4) 0.9025(4) 0.78764(19) 0.115(2) Uani 1 1 d . . . . . O28 O 0.1140(4) 0.6181(4) 0.57219(19) 0.118(3) Uani 1 1 d . . . . . O29 O 0.0127(4) 0.6282(6) 0.5552(2) 0.151(4) Uani 1 1 d . . . . . O30 O 0.0741(7) 0.5516(4) 0.5503(3) 0.192(5) Uani 1 1 d . . . . . O31 O 0.7012(4) 0.4334(5) 0.9300(2) 0.136(3) Uani 1 1 d . . . . . O32 O 0.7776(4) 0.4290(6) 0.8864(3) 0.152(4) Uani 1 1 d . . . . . O33 O 0.8075(4) 0.4180(5) 0.9463(2) 0.133(3) Uani 1 1 d . . . . . S1 S 0.30782(18) -0.01331(12) 0.75383(10) 0.1160(10) Uani 1 1 d D . . . . S2 S 0.43423(9) 0.31074(8) 0.96359(6) 0.0751(5) Uani 1 1 d . . . . . S3 S 1.01492(10) 0.56242(10) 0.88751(6) 0.0808(6) Uani 1 1 d . . . . . S4 S 0.58128(11) 0.58637(11) 0.75109(6) 0.0949(6) Uani 1 1 d . . . . . S5 S 0.63675(11) 0.94255(11) 0.80474(7) 0.0889(7) Uani 1 1 d . . . . . S6 S 0.07256(11) 0.60436(10) 0.55173(6) 0.0890(6) Uani 1 1 d . . . . . S7 S 0.76022(13) 0.4391(2) 0.91952(8) 0.1355(12) Uani 1 1 d . . . . . S8 S 0.94823(14) 0.32577(16) 0.75844(12) 0.0797(11) Uani 0.556(4) 1 d . . P D 1 C325 C 0.2329(10) -0.0288(6) 0.7516(5) 0.153(7) Uani 1 1 d . . . . . C326 C 0.4312(4) 0.3864(4) 0.9471(2) 0.088(3) Uani 1 1 d D . . . . C327 C 1.0486(5) 0.5696(5) 0.9270(3) 0.097(3) Uani 1 1 d . . . . . C328 C 0.6243(4) 0.6148(6) 0.7783(3) 0.099(3) Uani 1 1 d . . . . . C329 C 0.6453(5) 0.9048(3) 0.8498(3) 0.090(3) Uani 1 1 d . . . . . C330 C 0.0851(4) 0.6399(5) 0.5064(3) 0.098(3) Uani 1 1 d . . . . . C331 C 0.7519(7) 0.5192(8) 0.9095(4) 0.140(5) Uani 1 1 d . . . . . C332 C 0.9266(8) 0.3983(6) 0.7630(7) 0.099(6) Uani 0.556(4) 1 d . . P D 1 C339 C 0.2417(8) 0.0094(7) 0.8730(5) 0.161(5) Uani 1 1 d . . . . . C340 C 0.4937(6) 0.0116(7) 0.8702(5) 0.132(5) Uani 1 1 d . . . . . C341 C 0.9683(5) 0.2028(8) 0.8184(5) 0.159(6) Uani 1 1 d D . . . . C432 C 0.8730(7) 0.3253(8) 0.7253(5) 0.78(12) Uani 0.444(4) 1 d D . P D 2 O34 O 1.0099(4) 0.3202(4) 0.7512(3) 0.064(2) Uani 0.556(4) 1 d . . P D 1 O35 O 0.9422(7) 0.2896(7) 0.7943(5) 0.128(5) Uani 0.556(4) 1 d . . P D 1 O36 O 0.9056(7) 0.3278(6) 0.7312(4) 0.108(4) Uani 0.556(4) 1 d . . P D 1 F1 F 0.2353(6) -0.0808(4) 0.7643(3) 0.170(4) Uani 1 1 d . . . . . F2 F 0.1893(5) 0.0042(5) 0.7604(5) 0.224(7) Uani 1 1 d . . . . . F3 F 0.2103(11) 0.0038(16) 0.7209(5) 0.400(18) Uani 1 1 d . . . . . F4 F 0.3815(3) 0.4208(2) 0.9399(2) 0.114(2) Uani 1 1 d . . . . . F5 F 0.4634(3) 0.4014(3) 0.9715(2) 0.144(2) Uani 1 1 d D . . . . F6 F 0.4672(4) 0.3964(3) 0.9197(3) 0.150(3) Uani 1 1 d . . . . . F7 F 1.0226(6) 0.6219(3) 0.9331(3) 0.172(4) Uani 1 1 d . . . . . F8 F 1.0428(5) 0.5336(4) 0.95541(19) 0.143(3) Uani 1 1 d . . . . . F9 F 1.1090(4) 0.5625(4) 0.9256(3) 0.166(3) Uani 1 1 d . . . . . F10 F 0.6052(4) 0.6680(3) 0.7717(3) 0.152(3) Uani 1 1 d . . . . . F11 F 0.6167(4) 0.5914(4) 0.81265(16) 0.125(2) Uani 1 1 d . . . . . F12 F 0.6827(3) 0.6062(6) 0.7738(2) 0.201(5) Uani 1 1 d . . . . . F13 F 0.6550(4) 0.9318(3) 0.87171(18) 0.141(2) Uani 1 1 d . . . . . F14 F 0.5950(4) 0.8851(3) 0.8600(2) 0.134(2) Uani 1 1 d . . . . . F15 F 0.6964(5) 0.8593(4) 0.8561(3) 0.171(4) Uani 1 1 d . . . . . F16 F 0.0854(5) 0.6928(4) 0.5013(2) 0.157(3) Uani 1 1 d . . . . . F17 F 0.1400(3) 0.6183(4) 0.4979(2) 0.150(3) Uani 1 1 d . . . . . F18 F 0.0467(4) 0.6384(4) 0.48150(18) 0.158(2) Uani 1 1 d . . . . . F19 F 0.8025(4) 0.5326(6) 0.9052(3) 0.205(5) Uani 1 1 d . . . . . F20 F 0.7158(6) 0.5408(8) 0.8799(3) 0.227(7) Uani 1 1 d . . . . . F21 F 0.7300(6) 0.5355(7) 0.9362(3) 0.210(6) Uani 1 1 d . . . . . F22 F 0.9401(5) 0.4347(5) 0.7333(5) 0.129(5) Uani 0.556(4) 1 d . . P D 1 F23 F 0.8658(5) 0.4130(6) 0.7670(4) 0.129(4) Uani 0.556(4) 1 d . . P D 1 F24 F 0.9582(6) 0.4041(5) 0.7898(3) 0.109(3) Uani 0.556(4) 1 d . . P D 1 F22' F 0.8905(8) 0.3626(7) 0.6983(4) 0.153(6) Uani 0.444(4) 1 d D . P D 2 F23' F 0.9248(7) 0.2863(7) 0.7278(9) 0.198(11) Uani 0.444(4) 1 d D . P D 2 F24' F 0.8234(8) 0.3417(10) 0.7413(5) 0.178(9) Uani 0.444(4) 1 d D . P D 2 S8' S 0.9350(3) 0.3680(3) 0.75770(17) 0.0944(16) Uani 0.444(4) 1 d . . P D 2 O34' O 0.9270(8) 0.3416(18) 0.7935(4) 0.195(16) Uani 0.444(4) 1 d . . P D 2 O35' O 0.9970(8) 0.3485(11) 0.7470(6) 0.125(7) Uani 0.444(4) 1 d . . P D 2 O36' O 0.9010(14) 0.4237(7) 0.7457(7) 0.160(9) Uani 0.444(4) 1 d . . P D 2 O61 O 0.0355(9) 0.7541(7) 0.8934(3) 0.205(6) Uani 1 1 d . . . . . O60 O 0.9606(5) 0.7407(6) 0.5531(3) 0.178(4) Uani 1 1 d . . . . . O59 O 0.5098(3) 0.1963(3) 0.92583(18) 0.098(2) Uani 1 1 d . . . . . O55 O 0.4762(4) 0.0121(4) 0.8386(3) 0.125(3) Uani 1 1 d . . . . . O58 O 0.5490(4) 0.7290(7) 0.6766(3) 0.166(5) Uani 1 1 d . . . . . O56 O 0.3069(4) 0.0148(3) 0.8790(3) 0.123(3) Uani 1 1 d . . . . . O57 O 1.0287(3) 0.2087(4) 0.8266(2) 0.123(2) Uani 1 1 d D . . . . 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 Rh1 0.0692(3) 0.0726(2) 0.0464(2) -0.02776(17) 0.0095(2) -0.0087(2) Rh2 0.03836(17) 0.0775(2) 0.04498(18) -0.03065(15) 0.00230(15) -0.01094(16) Rh3 0.0566(2) 0.0901(3) 0.0768(3) -0.0248(2) 0.0011(2) -0.03352(19) Rh4 0.04625(19) 0.0947(3) 0.0572(2) -0.03627(18) 0.00660(17) -0.02849(17) Rh5 0.0611(2) 0.0717(2) 0.0515(2) -0.02586(18) 0.0107(2) -0.0064(2) Rh6 0.04469(17) 0.0726(2) 0.04780(19) -0.02548(15) 0.01089(15) -0.02611(15) Rh7 0.03837(17) 0.0789(2) 0.04622(18) -0.03536(14) 0.00619(14) -0.01634(15) Rh8 0.0517(2) 0.0717(2) 0.0751(3) -0.03931(17) 0.00833(19) -0.02636(16) Rh9 0.03986(17) 0.0873(2) 0.0502(2) -0.03162(17) 0.00598(16) -0.02157(16) Rh10 0.04301(19) 0.0699(2) 0.0625(2) -0.03204(17) 0.00785(18) -0.01003(17) Rh11 0.0609(2) 0.1307(3) 0.0548(2) -0.0426(2) 0.02268(18) -0.05456(19) Rh12 0.0937(3) 0.1360(4) 0.0554(3) -0.0165(3) 0.0083(3) -0.0604(3) K1 0.0370(5) 0.0758(6) 0.0444(5) -0.0297(4) 0.0089(4) -0.0182(4) K2 0.0851(9) 0.0885(7) 0.0797(8) -0.0470(6) 0.0244(7) -0.0334(6) N1 0.056(3) 0.073(3) 0.051(2) -0.025(2) 0.002(2) -0.012(2) N2 0.062(3) 0.064(2) 0.044(2) -0.0231(17) 0.006(2) -0.0208(19) N3 0.043(2) 0.072(2) 0.047(2) -0.0274(18) 0.0079(18) -0.0142(18) N4 0.047(2) 0.067(2) 0.047(2) -0.0242(18) -0.0003(19) -0.0074(19) N5 0.055(3) 0.086(4) 0.102(5) -0.029(3) 0.002(3) -0.017(3) N6 0.090(3) 0.080(2) 0.068(3) -0.038(2) 0.013(3) -0.046(2) N7 0.058(3) 0.086(3) 0.059(3) -0.038(2) 0.009(2) -0.020(2) N8 0.044(2) 0.092(3) 0.070(3) -0.030(3) 0.009(2) -0.018(2) N9 0.044(2) 0.078(3) 0.056(2) -0.034(2) 0.013(2) -0.008(2) N10 0.071(3) 0.078(3) 0.058(3) -0.022(2) 0.014(3) -0.026(2) N11 0.056(2) 0.059(2) 0.058(3) -0.0247(18) 0.012(2) -0.0226(18) N12 0.043(2) 0.063(2) 0.058(2) -0.0313(17) 0.0102(19) -0.0160(17) N13 0.041(2) 0.072(2) 0.045(2) -0.0294(17) 0.0062(17) -0.0147(17) N14 0.037(2) 0.074(2) 0.063(3) -0.0353(19) 0.0051(19) -0.0126(18) N15 0.053(3) 0.066(2) 0.071(3) -0.035(2) 0.008(2) -0.014(2) N16 0.044(2) 0.067(2) 0.064(3) -0.0365(18) 0.009(2) -0.0158(18) N17 0.046(2) 0.079(3) 0.046(2) -0.023(2) 0.0070(19) -0.017(2) N18 0.054(2) 0.076(3) 0.055(3) -0.024(2) 0.000(2) -0.017(2) N19 0.056(3) 0.069(3) 0.073(3) -0.025(2) 0.003(2) -0.017(2) N20 0.058(3) 0.081(3) 0.050(2) -0.031(2) 0.010(2) -0.010(2) N21 0.060(3) 0.129(4) 0.060(3) -0.036(3) 0.020(2) -0.050(2) N22 0.070(3) 0.124(4) 0.066(3) -0.038(3) 0.018(2) -0.055(2) N23 0.077(3) 0.107(3) 0.066(3) -0.028(3) 0.013(3) -0.052(2) N24 0.084(3) 0.125(4) 0.054(3) -0.023(3) 0.007(3) -0.063(2) N25 0.038(2) 0.076(3) 0.048(2) -0.0290(18) -0.0009(18) -0.0084(19) N26 0.034(2) 0.094(3) 0.059(3) -0.034(2) 0.0032(19) -0.014(2) N27 0.102(4) 0.146(4) 0.072(3) -0.057(3) 0.036(3) -0.074(3) N28 0.056(3) 0.091(3) 0.067(3) -0.044(2) 0.014(2) -0.028(2) N29 0.047(2) 0.095(3) 0.067(3) -0.046(2) 0.004(2) -0.026(2) N30 0.057(3) 0.115(3) 0.058(2) -0.0558(19) 0.016(2) -0.035(2) N31 0.076(3) 0.092(3) 0.065(3) -0.035(3) 0.028(3) -0.026(3) N32 0.062(3) 0.067(2) 0.056(2) -0.0322(18) 0.019(2) -0.021(2) N33 0.051(2) 0.080(2) 0.053(2) -0.0286(19) 0.0075(19) -0.0321(18) N34 0.065(3) 0.112(4) 0.045(3) -0.026(2) 0.014(2) -0.039(2) N35 0.073(4) 0.140(5) 0.071(3) -0.058(3) 0.009(3) -0.033(3) N36 0.081(3) 0.070(3) 0.047(2) -0.0269(19) 0.002(2) -0.017(2) N37 0.056(3) 0.065(2) 0.066(3) -0.026(2) 0.005(2) -0.0203(19) N38 0.064(3) 0.101(4) 0.070(3) -0.027(3) 0.015(3) -0.037(2) N39 0.043(2) 0.109(4) 0.053(3) -0.030(2) 0.004(2) -0.020(2) N40 0.045(2) 0.098(3) 0.046(2) -0.027(2) 0.0059(19) -0.020(2) N41 0.046(2) 0.077(3) 0.063(3) -0.030(2) 0.000(2) -0.010(2) N42 0.055(3) 0.083(3) 0.072(3) -0.031(3) 0.001(3) -0.012(2) N43 0.044(2) 0.096(3) 0.048(2) -0.029(2) 0.0142(19) -0.026(2) N44 0.074(3) 0.131(3) 0.050(2) -0.042(2) 0.026(2) -0.066(2) N45 0.074(3) 0.132(5) 0.074(4) -0.018(4) 0.007(3) -0.050(3) N46 0.077(3) 0.103(3) 0.072(3) -0.031(3) -0.002(3) -0.044(2) N47 0.053(2) 0.087(3) 0.049(2) -0.0423(17) 0.0120(19) -0.020(2) N48 0.047(2) 0.080(2) 0.049(2) -0.0340(17) 0.0055(18) -0.0220(18) O1 0.0419(19) 0.095(3) 0.062(2) -0.030(2) 0.0064(18) -0.005(2) O2 0.085(3) 0.133(4) 0.087(3) -0.055(3) 0.023(3) -0.032(3) O3 0.067(2) 0.126(3) 0.083(2) -0.0774(17) 0.028(2) -0.037(2) O4 0.088(3) 0.115(3) 0.089(3) -0.069(2) 0.033(2) -0.043(2) O5 0.066(2) 0.095(3) 0.060(2) -0.027(2) 0.0220(19) -0.0427(18) O6 0.101(4) 0.121(4) 0.078(3) -0.035(3) 0.029(3) -0.051(3) O7 0.057(2) 0.113(3) 0.083(3) -0.047(2) 0.014(2) -0.029(2) O8 0.050(2) 0.104(3) 0.056(2) -0.021(2) -0.002(2) -0.003(2) O9 0.059(2) 0.095(3) 0.067(3) -0.033(2) -0.001(2) -0.014(2) O10 0.054(2) 0.094(3) 0.060(2) -0.0292(19) 0.0145(18) -0.0320(18) O11 0.072(3) 0.120(4) 0.076(3) -0.016(3) -0.010(2) -0.040(2) O12 0.053(2) 0.092(2) 0.059(2) -0.0477(15) 0.0068(17) -0.0175(18) O13 0.206(10) 0.282(11) 0.145(7) -0.117(6) 0.056(7) -0.113(8) O14 0.202(12) 0.140(6) 0.217(9) -0.109(5) 0.017(9) 0.007(7) O15 0.213(10) 0.137(7) 0.293(16) -0.067(8) 0.110(10) -0.082(6) O16 0.117(5) 0.132(5) 0.063(3) -0.024(3) -0.013(3) -0.029(4) O17 0.092(3) 0.098(3) 0.062(3) -0.034(2) 0.003(2) -0.029(3) O18 0.083(4) 0.100(4) 0.156(6) -0.046(4) 0.016(4) -0.017(3) O19 0.099(4) 0.087(3) 0.105(4) -0.027(3) 0.030(3) -0.029(3) O20 0.186(8) 0.093(3) 0.123(5) -0.053(3) 0.021(5) -0.042(4) O21 0.100(4) 0.219(7) 0.108(5) -0.068(5) 0.016(4) -0.070(4) O22 0.060(2) 0.094(3) 0.123(4) -0.051(3) 0.010(3) -0.031(2) O23 0.091(4) 0.282(11) 0.078(4) -0.064(5) 0.018(3) -0.047(6) O24 0.221(10) 0.125(5) 0.202(8) -0.101(4) -0.079(7) 0.075(6) C1A 0.070(4) 0.078(4) 0.069(4) -0.033(3) 0.013(3) 0.019(3) C2A 0.090(5) 0.094(4) 0.072(4) -0.042(3) 0.018(4) -0.007(4) C3A 0.153(9) 0.086(4) 0.061(4) -0.043(3) 0.015(5) 0.006(5) C4A 0.114(5) 0.107(6) 0.092(5) -0.037(4) 0.071(4) -0.020(5) C5A 0.068(4) 0.108(5) 0.097(5) -0.053(4) 0.045(3) -0.014(4) C6A 0.079(5) 0.081(5) 0.094(6) -0.015(4) 0.009(5) 0.008(4) C7A 0.094(6) 0.096(4) 0.115(6) -0.064(3) -0.006(5) -0.007(4) C8A 0.192(13) 0.192(13) 0.043(4) -0.021(6) -0.001(6) 0.055(11) C9A 0.126(6) 0.129(8) 0.137(7) -0.045(6) 0.085(5) -0.047(6) C10A 0.091(6) 0.133(7) 0.152(9) -0.065(6) 0.042(6) -0.045(5) C1B 0.070(4) 0.091(3) 0.090(4) -0.052(3) -0.026(3) -0.011(3) C2B 0.067(4) 0.156(5) 0.054(3) -0.057(3) 0.002(3) -0.042(3) C3B 0.057(3) 0.113(4) 0.054(3) -0.031(3) -0.017(2) -0.027(3) C4B 0.038(2) 0.091(4) 0.066(3) -0.030(3) -0.004(2) -0.020(2) C5B 0.079(4) 0.087(4) 0.071(4) -0.037(3) -0.022(3) -0.021(3) C6B 0.102(6) 0.126(5) 0.154(6) -0.095(4) -0.031(5) -0.011(4) C7B 0.081(5) 0.286(11) 0.080(4) -0.104(5) 0.018(4) -0.059(6) C8B 0.086(4) 0.146(7) 0.111(7) 0.024(6) -0.043(4) -0.056(4) C9B 0.045(3) 0.144(6) 0.103(5) -0.062(4) 0.017(3) -0.035(3) C10B 0.105(5) 0.114(5) 0.105(6) -0.021(4) -0.017(4) -0.066(3) C1C 0.065(4) 0.136(7) 0.143(10) -0.021(7) 0.006(5) -0.050(4) C2C 0.063(4) 0.159(8) 0.187(11) -0.047(7) -0.032(5) -0.046(4) C3C 0.108(5) 0.121(5) 0.134(7) -0.024(5) -0.043(4) -0.067(3) C4C 0.116(5) 0.143(5) 0.136(7) -0.061(5) -0.009(5) -0.076(4) C5C 0.103(5) 0.112(5) 0.119(8) -0.020(5) -0.007(5) -0.065(3) C6C 0.131(7) 0.239(10) 0.39(2) -0.205(10) 0.137(9) -0.123(6) C7C 0.089(7) 0.214(16) 0.54(6) 0.03(3) -0.041(16) -0.084(7) C8C 0.229(12) 0.245(14) 0.108(8) -0.029(8) -0.049(7) -0.130(9) C9C 0.186(12) 0.155(6) 0.246(13) -0.130(6) 0.034(10) -0.086(6) C10C 0.144(7) 0.176(9) 0.166(13) 0.043(9) -0.039(8) -0.104(5) C1D 0.059(4) 0.149(7) 0.060(4) -0.033(4) 0.013(3) -0.034(4) C2D 0.111(6) 0.138(6) 0.051(3) -0.042(4) 0.027(4) -0.051(5) C3D 0.082(4) 0.128(5) 0.049(3) -0.025(3) 0.008(3) -0.059(3) C4D 0.059(4) 0.114(5) 0.067(4) -0.028(4) -0.007(3) -0.020(4) C5D 0.090(4) 0.116(5) 0.074(5) -0.014(4) 0.011(4) -0.059(3) C6D 0.077(4) 0.190(9) 0.114(7) -0.050(6) 0.011(5) -0.068(4) C7D 0.137(10) 0.167(10) 0.079(5) -0.059(5) 0.010(6) -0.006(8) C8D 0.138(6) 0.165(6) 0.081(5) -0.040(4) -0.007(4) -0.099(4) C9D 0.071(5) 0.172(12) 0.116(9) 0.008(9) -0.018(6) -0.008(7) C10D 0.164(10) 0.118(7) 0.109(9) -0.014(6) -0.001(8) -0.068(6) C1E 0.068(4) 0.091(5) 0.058(4) -0.011(3) 0.011(3) -0.019(3) C2E 0.060(4) 0.085(4) 0.060(4) -0.013(3) -0.009(3) -0.002(3) C3E 0.082(5) 0.104(5) 0.064(4) -0.030(4) -0.006(4) -0.009(4) C4E 0.133(8) 0.103(5) 0.061(4) -0.039(4) -0.006(5) 0.022(6) C5E 0.115(7) 0.160(9) 0.039(3) -0.020(4) 0.014(4) 0.042(6) C6E 0.102(6) 0.121(7) 0.111(8) 0.011(6) -0.026(5) -0.047(5) C7E 0.056(4) 0.099(5) 0.089(5) -0.030(4) 0.007(4) 0.008(4) C8E 0.155(10) 0.167(9) 0.094(6) -0.052(6) -0.028(6) -0.048(7) C9E 0.260(19) 0.152(8) 0.081(5) -0.076(4) -0.030(8) 0.045(10) C10E 0.124(8) 0.261(18) 0.071(6) 0.002(8) 0.040(5) 0.071(9) C1F 0.055(3) 0.092(4) 0.076(4) -0.027(3) 0.030(3) -0.037(3) C2F 0.047(3) 0.104(4) 0.058(3) -0.037(3) 0.024(2) -0.026(3) C3F 0.047(3) 0.082(3) 0.098(4) -0.048(3) 0.019(3) -0.015(3) C4F 0.046(3) 0.096(5) 0.082(5) 0.000(4) 0.001(3) -0.018(3) C5F 0.046(3) 0.121(5) 0.087(5) -0.042(3) 0.005(3) -0.040(3) C6F 0.081(4) 0.088(5) 0.155(9) -0.024(5) 0.050(5) -0.039(3) C7F 0.070(4) 0.113(6) 0.065(4) -0.021(4) 0.013(4) -0.005(4) C8F 0.074(4) 0.100(4) 0.124(6) -0.062(4) 0.032(4) -0.028(4) C9F 0.065(4) 0.161(9) 0.097(7) 0.021(7) 0.002(5) -0.033(5) C10F 0.067(4) 0.203(9) 0.105(6) -0.057(6) 0.001(4) -0.064(4) C1G 0.070(4) 0.108(4) 0.046(3) -0.031(3) 0.006(3) -0.036(3) C2G 0.068(4) 0.089(4) 0.044(3) -0.025(3) 0.009(3) -0.022(3) C3G 0.054(3) 0.123(4) 0.043(3) -0.043(2) 0.005(2) -0.028(3) C4G 0.094(5) 0.096(4) 0.053(3) -0.049(2) 0.019(3) -0.022(3) C5G 0.052(3) 0.113(5) 0.051(3) -0.039(3) 0.022(2) -0.019(3) C6G 0.132(6) 0.139(6) 0.081(5) -0.033(4) -0.003(5) -0.079(4) C7G 0.098(6) 0.140(8) 0.057(4) -0.037(4) 0.003(4) 0.011(6) C8G 0.057(3) 0.131(5) 0.081(4) -0.036(4) -0.016(3) -0.036(3) C9G 0.177(12) 0.106(5) 0.093(5) -0.067(3) 0.015(6) -0.018(6) C10G 0.056(4) 0.185(10) 0.079(5) -0.047(6) 0.011(4) -0.012(5) C1H 0.070(4) 0.111(4) 0.108(5) -0.058(3) -0.009(3) -0.038(3) C2H 0.060(3) 0.096(3) 0.123(5) -0.058(3) 0.007(3) -0.046(2) C3H 0.100(5) 0.077(3) 0.112(6) -0.026(4) -0.010(4) -0.048(3) C4H 0.063(4) 0.092(4) 0.151(7) -0.072(3) 0.024(4) -0.032(3) C5H 0.072(4) 0.085(3) 0.086(4) -0.051(3) 0.007(3) -0.032(3) C6H 0.111(6) 0.121(6) 0.114(6) -0.049(4) -0.038(4) -0.034(4) C7H 0.083(4) 0.147(5) 0.151(8) -0.083(5) 0.035(5) -0.067(4) C8H 0.123(6) 0.095(4) 0.172(10) -0.049(5) 0.023(6) -0.069(3) C9H 0.106(6) 0.092(4) 0.154(7) -0.072(4) 0.006(6) -0.031(4) C10H 0.133(8) 0.152(6) 0.102(5) -0.080(4) 0.004(5) -0.050(5) C1I 0.048(3) 0.082(4) 0.050(4) -0.031(3) 0.005(3) -0.019(3) C2I 0.077(4) 0.100(4) 0.050(4) -0.036(3) 0.010(3) -0.051(3) C3I 0.051(3) 0.097(5) 0.069(5) -0.028(4) 0.001(3) -0.040(3) C4I 0.024(3) 0.161(7) 0.088(5) -0.081(4) 0.002(3) -0.012(4) C5I 0.059(4) 0.108(5) 0.066(4) -0.034(4) -0.024(3) -0.027(3) C6I 0.094(6) 0.145(7) 0.071(5) -0.067(4) 0.024(5) -0.053(5) C7I 0.146(10) 0.115(7) 0.110(8) -0.060(5) 0.032(7) -0.060(6) C8I 0.094(7) 0.135(8) 0.073(7) -0.024(6) 0.007(6) -0.049(6) C9I 0.041(5) 0.204(11) 0.167(9) -0.123(7) -0.002(6) -0.003(6) C10I 0.146(11) 0.120(9) 0.113(8) -0.043(6) -0.066(7) -0.014(8) C1J 0.056(4) 0.113(5) 0.103(5) -0.067(3) 0.019(3) -0.011(3) C2J 0.073(5) 0.086(4) 0.117(6) -0.052(4) 0.021(4) 0.002(4) C3J 0.061(4) 0.107(6) 0.100(6) -0.029(5) -0.003(4) 0.023(4) C4J 0.048(3) 0.112(5) 0.121(5) -0.068(4) 0.025(3) -0.012(3) C5J 0.081(5) 0.113(5) 0.074(4) -0.047(3) 0.035(3) -0.019(4) C6J 0.103(7) 0.173(7) 0.114(5) -0.098(4) 0.016(5) -0.011(6) C7J 0.226(15) 0.092(6) 0.160(10) -0.049(6) 0.095(9) -0.020(8) C8J 0.117(8) 0.212(15) 0.104(9) -0.036(9) -0.022(7) 0.059(9) C9J 0.097(6) 0.140(5) 0.153(7) -0.096(4) 0.024(5) -0.046(4) C10J 0.157(10) 0.128(8) 0.085(6) -0.029(6) 0.055(6) 0.002(8) C1K 0.066(5) 0.146(9) 0.070(7) -0.036(7) 0.045(5) -0.075(4) C2K 0.068(8) 0.117(11) 0.074(9) -0.030(8) -0.015(7) -0.025(7) C3K 0.104(11) 0.102(11) 0.092(11) -0.018(9) 0.051(8) -0.028(9) C4K 0.070(7) 0.110(8) 0.126(13) -0.044(8) 0.003(8) -0.050(5) C5K 0.059(6) 0.219(14) 0.067(6) -0.090(6) 0.039(5) -0.061(7) C6K 0.137(11) 0.175(18) 0.124(13) -0.004(13) 0.080(9) -0.076(10) C7K 0.096(9) 0.197(13) 0.20(2) -0.094(11) -0.006(10) -0.090(7) C8K 0.34(5) 0.117(15) 0.074(11) -0.048(10) 0.00(2) 0.00(2) C9K 0.126(17) 0.174(17) 0.39(5) -0.15(2) 0.04(2) -0.079(13) C10K 0.085(9) 0.224(18) 0.085(9) -0.076(10) 0.024(8) -0.070(10) C11K 0.071(9) 0.133(12) 0.097(11) -0.060(9) 0.008(9) -0.032(9) C12K 0.031(5) 0.115(10) 0.107(12) -0.021(9) -0.015(6) -0.036(5) C13K 0.047(6) 0.126(12) 0.060(7) -0.023(7) -0.025(5) -0.017(7) C14K 0.060(6) 0.101(10) 0.068(8) -0.017(8) 0.039(6) -0.034(6) C15K 0.055(7) 0.120(11) 0.085(11) -0.030(9) -0.005(7) -0.036(7) C16K 0.088(11) 0.156(19) 0.112(17) -0.001(15) 0.023(11) -0.053(11) C17K 0.081(12) 0.098(11) 0.31(3) -0.102(14) 0.055(17) -0.029(9) C18K 0.047(7) 0.234(18) 0.073(7) -0.092(8) -0.016(6) -0.007(9) C19K 0.72(11) 0.26(3) 0.37(4) -0.19(2) -0.14(4) -0.17(3) C20K 0.14(2) 0.27(4) 0.15(2) -0.103(19) 0.059(16) 0.02(2) C1L 0.165(10) 0.166(10) 0.076(6) 0.018(7) -0.027(7) -0.068(8) C2L 0.099(6) 0.150(9) 0.056(5) -0.011(5) 0.006(4) -0.029(6) C3L 0.197(12) 0.125(7) 0.064(5) -0.024(5) -0.031(6) -0.043(7) C4L 0.090(7) 0.227(17) 0.106(8) 0.046(10) -0.016(7) -0.015(9) C5L 0.167(15) 0.164(14) 0.134(12) 0.032(11) 0.004(12) -0.026(12) C6L 0.30(2) 0.192(14) 0.21(2) -0.044(13) -0.058(16) -0.121(12) C7L 0.21(2) 0.29(3) 0.124(13) -0.035(16) -0.048(13) 0.05(2) C8L 0.38(3) 0.228(17) 0.176(14) -0.065(11) -0.096(14) -0.112(15) C9L 0.120(13) 0.29(3) 0.26(3) 0.08(2) -0.014(16) -0.025(17) C10L 0.87(10) 0.154(19) 0.108(13) -0.014(13) 0.12(3) -0.04(4) C1 0.046(3) 0.071(3) 0.044(3) -0.022(2) 0.000(2) -0.014(2) C2 0.040(2) 0.076(3) 0.043(2) -0.027(2) 0.009(2) -0.006(2) C3 0.056(3) 0.086(3) 0.043(3) -0.024(2) 0.003(2) -0.021(3) C4 0.125(7) 0.091(5) 0.055(4) -0.020(3) -0.006(4) -0.032(4) C5 0.099(6) 0.087(5) 0.068(5) -0.008(4) -0.014(4) -0.023(4) C6 0.113(6) 0.066(4) 0.076(5) -0.013(3) -0.016(4) -0.025(4) C7 0.086(5) 0.076(4) 0.064(4) -0.026(3) 0.007(3) -0.022(3) C8 0.052(3) 0.069(3) 0.051(3) -0.023(2) 0.005(2) -0.015(2) C9 0.050(3) 0.077(3) 0.052(3) -0.028(2) 0.003(2) -0.003(3) C10 0.075(4) 0.094(5) 0.047(3) -0.022(3) -0.005(3) -0.007(4) C11 0.110(6) 0.066(4) 0.055(4) -0.004(3) 0.007(4) -0.017(4) C12 0.096(5) 0.067(4) 0.058(4) -0.016(3) -0.008(4) -0.008(4) C13 0.084(5) 0.062(3) 0.060(4) -0.018(3) -0.007(3) -0.004(3) C14 0.073(4) 0.074(3) 0.046(3) -0.024(2) 0.000(3) -0.003(3) C15 0.051(3) 0.081(3) 0.067(4) -0.020(3) -0.006(3) -0.028(2) C16 0.050(3) 0.084(3) 0.060(3) -0.031(2) 0.004(2) -0.027(2) C17 0.080(4) 0.075(3) 0.081(4) -0.037(3) 0.024(4) -0.025(3) C18 0.123(8) 0.108(6) 0.129(7) -0.062(5) 0.027(7) 0.002(6) C19 0.105(7) 0.095(6) 0.155(10) -0.037(6) 0.033(7) 0.002(6) C20 0.107(8) 0.132(9) 0.141(10) -0.050(7) 0.025(7) 0.012(7) C21 0.089(5) 0.103(5) 0.109(6) -0.052(4) 0.044(4) -0.011(4) C22 0.071(4) 0.102(4) 0.075(4) -0.046(3) 0.013(3) -0.026(3) C23 0.062(4) 0.091(5) 0.133(7) -0.040(5) 0.041(4) -0.014(4) C24 0.086(9) 0.078(9) 0.21(2) 0.001(12) 0.073(10) -0.009(8) C25 0.201(15) 0.042(7) 0.42(3) -0.015(12) 0.212(14) -0.017(8) C26 0.15(2) 0.26(4) 0.29(5) 0.02(4) -0.03(3) -0.11(2) C27 0.114(9) 0.093(9) 0.187(13) -0.059(8) 0.106(7) -0.008(8) C28 0.051(5) 0.108(11) 0.152(11) -0.022(9) 0.073(5) 0.007(6) C23' 0.062(4) 0.091(5) 0.133(7) -0.040(5) 0.041(4) -0.014(4) C24' 0.048(7) 0.094(10) 0.087(12) -0.014(9) -0.008(7) -0.036(6) C25' 0.145(17) 0.152(17) 0.17(2) 0.102(14) 0.094(14) 0.095(13) C26' 0.061(8) 0.093(13) 0.111(13) -0.002(11) 0.057(8) 0.010(9) C27' 0.083(10) 0.098(12) 0.042(7) -0.017(7) 0.038(6) 0.011(9) C28' 0.117(17) 0.088(13) 0.080(12) 0.042(10) -0.034(12) -0.007(12) C29 0.055(3) 0.068(3) 0.046(3) -0.028(2) 0.009(2) -0.021(2) C30 0.056(3) 0.055(2) 0.053(3) -0.018(2) 0.011(2) -0.019(2) C31 0.077(4) 0.066(3) 0.069(4) -0.023(3) 0.018(3) -0.024(3) C32 0.101(5) 0.080(3) 0.110(6) -0.047(3) 0.038(4) -0.043(3) C33 0.092(5) 0.082(4) 0.143(8) -0.048(4) 0.027(6) -0.031(4) C34 0.124(6) 0.103(4) 0.109(6) -0.047(4) 0.013(5) -0.064(4) C35 0.112(5) 0.112(4) 0.088(5) -0.053(3) 0.024(4) -0.069(3) C36 0.087(4) 0.077(3) 0.067(3) -0.038(2) 0.024(3) -0.045(2) C37 0.044(3) 0.076(3) 0.072(3) -0.038(2) -0.003(2) -0.013(2) C38 0.060(4) 0.069(3) 0.106(5) -0.038(3) -0.003(4) -0.006(3) C39 0.095(6) 0.072(3) 0.230(10) -0.087(4) 0.012(6) -0.030(3) C40 0.073(4) 0.086(4) 0.266(11) -0.082(4) -0.047(5) -0.020(3) C41 0.063(4) 0.097(4) 0.138(6) -0.077(3) 0.003(4) -0.015(3) C42 0.054(3) 0.073(3) 0.075(4) -0.037(3) -0.004(3) -0.005(3) C43 0.042(2) 0.075(3) 0.063(3) -0.038(2) -0.003(2) -0.014(2) C44 0.055(3) 0.065(2) 0.057(3) -0.0382(18) -0.003(2) -0.015(2) C45 0.041(3) 0.070(3) 0.080(3) -0.041(2) -0.007(2) -0.009(2) C46 0.048(3) 0.082(4) 0.102(5) -0.048(3) 0.005(3) -0.004(3) C47 0.061(4) 0.107(5) 0.109(6) -0.054(4) -0.003(4) 0.004(4) C48 0.074(5) 0.082(5) 0.128(7) -0.036(5) -0.015(5) -0.002(4) C49 0.060(4) 0.075(3) 0.112(6) -0.043(3) 0.008(4) -0.015(3) C50 0.057(3) 0.068(3) 0.080(4) -0.039(2) -0.004(3) -0.015(2) C51 0.039(2) 0.068(2) 0.057(3) -0.0362(19) 0.007(2) -0.0163(19) C52 0.049(3) 0.089(4) 0.073(4) -0.042(3) 0.013(3) -0.012(3) C53 0.048(3) 0.092(4) 0.084(4) -0.044(3) 0.003(3) -0.007(3) C54 0.056(3) 0.079(4) 0.073(4) -0.035(3) 0.011(3) -0.005(3) C55 0.056(3) 0.073(3) 0.058(3) -0.027(3) 0.004(3) -0.009(3) C56 0.040(2) 0.075(3) 0.053(2) -0.0387(19) 0.004(2) -0.015(2) C21I 0.041(2) 0.073(3) 0.049(3) -0.025(2) 0.005(2) -0.015(2) C58 0.039(2) 0.072(3) 0.050(3) -0.023(2) 0.003(2) -0.015(2) C59 0.061(3) 0.079(3) 0.054(3) -0.024(3) -0.007(3) -0.013(3) C60 0.096(5) 0.086(4) 0.069(5) -0.003(4) -0.006(4) -0.040(3) C61 0.119(6) 0.103(5) 0.089(6) -0.001(5) 0.000(5) -0.060(4) C62 0.157(9) 0.092(5) 0.088(7) -0.013(5) 0.007(7) -0.046(5) C63 0.104(6) 0.068(4) 0.098(6) -0.010(4) -0.003(5) -0.019(4) C64 0.058(3) 0.080(4) 0.062(4) -0.022(3) 0.003(3) -0.014(3) C65 0.078(4) 0.067(3) 0.054(3) -0.023(2) 0.008(3) -0.024(3) C66 0.100(6) 0.091(5) 0.057(4) -0.017(4) 0.002(4) -0.018(4) C67 0.159(9) 0.089(4) 0.066(4) -0.028(3) 0.001(5) -0.044(5) C68 0.141(9) 0.078(5) 0.069(5) -0.016(4) 0.009(5) -0.016(5) C69 0.100(5) 0.073(3) 0.073(4) -0.032(3) 0.014(4) -0.031(3) C70 0.069(4) 0.067(3) 0.058(3) -0.018(3) 0.002(3) -0.020(3) C71 0.077(3) 0.114(4) 0.059(3) -0.034(3) 0.022(3) -0.057(3) C72 0.068(3) 0.133(5) 0.050(3) -0.029(3) 0.018(3) -0.050(3) C73 0.100(5) 0.145(6) 0.068(4) -0.044(4) 0.029(4) -0.071(4) C74 0.129(6) 0.120(5) 0.080(5) -0.047(4) 0.021(4) -0.070(4) C75 0.112(7) 0.121(6) 0.135(9) -0.048(6) 0.025(6) -0.053(5) C76 0.183(11) 0.105(6) 0.140(10) -0.048(6) 0.028(9) -0.069(6) C77 0.094(5) 0.119(6) 0.098(6) -0.029(5) 0.012(5) -0.046(4) C78 0.104(5) 0.109(4) 0.072(4) -0.030(4) 0.012(4) -0.060(3) C79 0.074(4) 0.138(6) 0.059(4) -0.030(4) 0.011(3) -0.053(3) C80 0.111(5) 0.153(6) 0.112(7) -0.047(5) 0.015(5) -0.087(4) C81 0.128(6) 0.148(7) 0.123(8) -0.018(6) -0.037(5) -0.078(5) C82 0.157(8) 0.156(7) 0.122(8) -0.053(6) 0.012(7) -0.089(5) C83 0.088(5) 0.143(6) 0.117(7) -0.064(5) 0.014(5) -0.052(4) C84 0.095(4) 0.153(5) 0.065(4) -0.051(3) 0.022(3) -0.076(3) C85 0.048(3) 0.074(3) 0.057(3) -0.026(2) 0.005(2) -0.021(2) C86 0.046(3) 0.072(3) 0.052(3) -0.027(2) 0.001(2) -0.006(2) C87 0.051(3) 0.079(3) 0.052(3) -0.038(2) 0.011(2) -0.018(2) C88 0.043(3) 0.076(3) 0.057(3) -0.031(2) 0.002(2) -0.006(2) C89 0.049(3) 0.073(3) 0.048(3) -0.023(2) 0.004(2) -0.008(2) C90 0.046(3) 0.071(3) 0.061(3) -0.028(2) -0.003(2) -0.013(2) C91 0.036(2) 0.090(3) 0.070(3) -0.043(3) 0.012(2) -0.010(2) C92 0.040(2) 0.085(3) 0.054(3) -0.030(2) 0.005(2) -0.016(2) C93 0.053(3) 0.097(4) 0.055(3) -0.031(3) 0.016(2) -0.029(3) C94 0.074(4) 0.090(4) 0.060(3) -0.032(3) 0.015(3) -0.033(3) C95 0.071(4) 0.093(4) 0.057(3) -0.035(3) 0.015(3) -0.031(3) C96 0.058(3) 0.104(4) 0.054(3) -0.036(3) 0.016(3) -0.030(3) C97 0.056(3) 0.095(4) 0.050(3) -0.034(3) 0.011(3) -0.018(3) C98 0.122(5) 0.134(4) 0.057(3) -0.050(3) 0.034(3) -0.087(3) C99 0.084(4) 0.092(4) 0.074(4) -0.040(3) 0.023(3) -0.036(3) C100 0.060(3) 0.091(4) 0.072(4) -0.035(3) 0.003(3) -0.025(3) C101 0.069(4) 0.094(4) 0.069(3) -0.048(3) 0.012(3) -0.025(3) C102 0.065(3) 0.106(4) 0.076(4) -0.054(3) 0.026(3) -0.045(3) C103 0.076(4) 0.100(4) 0.087(4) -0.058(3) 0.034(3) -0.037(3) C104 0.076(4) 0.100(4) 0.086(4) -0.052(3) 0.034(3) -0.039(3) C105 0.050(3) 0.096(3) 0.063(3) -0.049(2) 0.017(2) -0.026(2) C106 0.054(3) 0.091(3) 0.062(3) -0.040(2) 0.005(3) -0.024(3) C107 0.058(3) 0.097(3) 0.065(3) -0.056(2) 0.025(2) -0.036(2) C108 0.057(3) 0.095(3) 0.080(3) -0.057(2) 0.027(3) -0.035(2) C109 0.064(3) 0.088(3) 0.080(4) -0.052(2) 0.019(3) -0.032(3) C110 0.062(3) 0.090(3) 0.071(3) -0.044(2) 0.015(3) -0.038(2) C111 0.052(3) 0.112(3) 0.082(3) -0.064(2) 0.017(3) -0.041(2) C112 0.050(3) 0.110(4) 0.057(3) -0.051(2) 0.018(2) -0.033(2) C113 0.055(3) 0.095(3) 0.078(4) -0.051(3) 0.025(3) -0.034(2) C114 0.050(3) 0.114(5) 0.079(4) -0.048(3) 0.013(3) -0.027(3) C115 0.052(3) 0.088(3) 0.063(3) -0.042(2) 0.020(2) -0.023(3) C116 0.056(3) 0.104(4) 0.063(3) -0.049(2) 0.014(2) -0.034(3) C117 0.050(3) 0.125(4) 0.069(3) -0.059(3) 0.016(2) -0.039(3) C118 0.059(3) 0.110(4) 0.068(3) -0.050(3) 0.026(3) -0.019(3) C119 0.071(4) 0.082(3) 0.074(3) -0.047(2) 0.029(3) -0.028(3) C120 0.074(4) 0.065(3) 0.066(4) -0.027(3) 0.021(3) -0.021(3) C121 0.071(4) 0.074(3) 0.072(3) -0.043(2) 0.019(3) -0.028(3) C122 0.066(3) 0.081(3) 0.068(3) -0.040(2) 0.019(3) -0.026(3) C123 0.062(3) 0.091(4) 0.080(4) -0.048(3) 0.033(3) -0.028(3) C124 0.057(3) 0.078(3) 0.066(3) -0.045(2) 0.021(3) -0.019(2) C125 0.051(3) 0.076(3) 0.054(3) -0.024(2) 0.016(2) -0.025(2) C126 0.046(3) 0.091(3) 0.064(4) -0.025(3) 0.007(2) -0.034(2) C127 0.052(3) 0.077(3) 0.056(3) -0.027(2) 0.012(2) -0.030(2) C128 0.083(4) 0.090(3) 0.046(3) -0.020(3) 0.015(3) -0.048(3) C129 0.065(3) 0.086(3) 0.061(3) -0.037(2) 0.024(2) -0.042(2) C130 0.052(3) 0.084(3) 0.059(3) -0.029(3) 0.013(2) -0.029(2) C131 0.088(4) 0.122(5) 0.039(3) -0.023(3) 0.014(3) -0.058(3) C132 0.053(3) 0.115(4) 0.047(3) -0.031(3) 0.013(2) -0.042(2) C133 0.090(4) 0.100(4) 0.043(3) -0.026(3) -0.004(3) -0.042(3) C134 0.080(4) 0.111(4) 0.061(3) -0.045(3) 0.017(3) -0.046(3) C135 0.068(3) 0.130(4) 0.065(3) -0.052(3) 0.021(3) -0.049(3) C136 0.071(3) 0.173(5) 0.068(3) -0.068(3) 0.019(3) -0.071(3) C137 0.075(4) 0.119(4) 0.054(3) -0.035(3) 0.012(3) -0.050(3) C138 0.082(4) 0.109(4) 0.103(5) -0.062(3) 0.017(4) -0.044(3) C139 0.083(4) 0.109(5) 0.068(4) -0.045(3) 0.019(3) -0.034(4) C140 0.090(5) 0.073(3) 0.053(3) -0.025(3) 0.001(3) -0.022(3) C141 0.091(5) 0.093(4) 0.064(4) -0.034(3) 0.017(4) -0.024(4) C142 0.095(5) 0.087(4) 0.052(3) -0.037(2) 0.017(3) -0.032(3) C143 0.070(4) 0.083(4) 0.063(3) -0.033(3) 0.004(3) -0.020(3) C144 0.077(4) 0.081(4) 0.050(3) -0.024(3) 0.004(3) -0.024(3) C145 0.052(3) 0.091(4) 0.075(4) -0.039(3) 0.006(3) -0.022(3) C146 0.055(3) 0.077(3) 0.066(3) -0.035(2) 0.006(3) -0.025(2) C147 0.055(3) 0.095(4) 0.066(4) -0.033(3) 0.015(3) -0.037(2) C148 0.061(3) 0.072(3) 0.075(4) -0.028(3) 0.012(3) -0.024(3) C149 0.050(3) 0.074(3) 0.080(4) -0.030(3) 0.005(3) -0.020(2) C150 0.053(3) 0.086(4) 0.066(4) -0.020(3) 0.005(3) -0.031(2) C151 0.067(4) 0.102(5) 0.062(4) -0.015(4) 0.004(3) -0.034(3) C152 0.054(3) 0.115(5) 0.044(3) -0.019(3) 0.009(3) -0.029(3) C153 0.085(4) 0.113(5) 0.042(3) -0.023(3) 0.018(3) -0.040(4) C154 0.072(4) 0.123(5) 0.050(3) -0.029(3) 0.015(3) -0.036(4) C155 0.045(3) 0.103(4) 0.048(3) -0.024(3) 0.006(2) -0.020(3) C156 0.062(3) 0.093(4) 0.060(3) -0.036(3) 0.018(3) -0.030(3) C157 0.058(3) 0.115(5) 0.058(3) -0.035(3) 0.018(3) -0.028(3) C158 0.037(2) 0.097(4) 0.063(3) -0.030(3) 0.012(2) -0.018(3) C159 0.044(3) 0.075(3) 0.049(3) -0.025(2) 0.011(2) -0.006(2) C160 0.052(3) 0.075(3) 0.056(3) -0.026(2) 0.010(2) -0.016(2) C161 0.054(3) 0.076(3) 0.052(3) -0.024(3) 0.005(3) -0.008(3) C162 0.040(2) 0.080(3) 0.048(3) -0.024(2) 0.004(2) -0.013(2) C163 0.041(3) 0.090(4) 0.065(4) -0.025(3) 0.007(3) -0.013(3) C164 0.046(3) 0.103(4) 0.055(3) -0.023(3) 0.007(2) -0.027(3) C165 0.061(3) 0.072(3) 0.072(4) -0.021(3) -0.007(3) -0.016(3) C166 0.050(3) 0.079(4) 0.085(5) -0.022(3) -0.005(3) -0.020(3) C167 0.053(3) 0.068(3) 0.066(3) -0.027(3) 0.004(3) -0.012(2) C168 0.071(4) 0.083(4) 0.066(4) -0.027(3) 0.019(3) -0.017(3) C169 0.051(3) 0.088(4) 0.068(4) -0.034(3) 0.010(3) -0.017(3) C170 0.057(3) 0.066(3) 0.075(4) -0.033(2) 0.003(3) -0.017(2) C171 0.056(3) 0.109(4) 0.070(3) -0.052(3) 0.007(3) -0.021(3) C172 0.047(3) 0.093(3) 0.050(3) -0.033(2) 0.011(2) -0.025(2) C173 0.055(3) 0.110(4) 0.062(3) -0.041(3) -0.004(3) -0.014(3) C174 0.053(3) 0.108(4) 0.059(3) -0.043(3) -0.003(3) -0.015(3) C175 0.044(2) 0.094(3) 0.043(3) -0.026(2) 0.010(2) -0.033(2) C176 0.054(3) 0.091(4) 0.044(3) -0.024(3) 0.009(2) -0.026(3) C177 0.053(3) 0.090(4) 0.050(3) -0.027(2) 0.002(2) -0.025(3) C178 0.056(3) 0.094(4) 0.043(3) -0.024(3) 0.013(2) -0.022(3) C179 0.048(3) 0.074(3) 0.060(3) -0.027(2) 0.015(2) -0.021(2) C180 0.056(3) 0.110(4) 0.063(3) -0.041(3) 0.020(3) -0.041(3) C181 0.055(3) 0.092(3) 0.055(3) -0.034(2) 0.013(2) -0.034(2) C182 0.046(3) 0.085(3) 0.065(3) -0.035(2) 0.016(2) -0.028(2) C183 0.080(4) 0.093(3) 0.062(3) -0.034(3) 0.019(3) -0.047(3) C184 0.084(4) 0.120(4) 0.059(3) -0.045(3) 0.023(3) -0.055(3) C185 0.094(4) 0.116(5) 0.069(4) -0.017(4) -0.003(4) -0.063(3) C186 0.082(4) 0.129(5) 0.060(4) -0.027(4) 0.002(3) -0.051(3) C187 0.077(4) 0.101(4) 0.066(4) -0.011(4) -0.018(3) -0.038(3) C188 0.083(5) 0.102(5) 0.068(4) -0.021(4) -0.001(4) -0.033(4) C189 0.091(5) 0.103(5) 0.079(5) -0.024(4) 0.008(4) -0.047(3) C190 0.065(4) 0.074(4) 0.070(4) -0.005(3) -0.007(3) -0.019(3) C191 0.054(3) 0.096(5) 0.085(5) -0.030(4) -0.001(3) -0.015(3) C192 0.056(3) 0.095(4) 0.049(3) -0.032(2) -0.003(2) -0.022(3) C193 0.041(3) 0.125(5) 0.072(4) -0.036(4) 0.008(3) -0.024(3) C194 0.041(3) 0.099(4) 0.060(3) -0.032(3) 0.004(2) -0.014(3) C195 0.034(2) 0.106(4) 0.060(3) -0.044(2) 0.003(2) -0.020(2) C196 0.037(2) 0.095(3) 0.068(3) -0.047(2) 0.003(2) -0.011(2) C197 0.040(3) 0.101(4) 0.088(4) -0.052(3) 0.013(3) -0.019(3) C198 0.049(3) 0.098(3) 0.054(3) -0.042(2) 0.002(2) -0.023(2) C199 0.051(3) 0.072(3) 0.048(3) -0.032(2) 0.005(2) -0.021(2) C200 0.044(3) 0.088(3) 0.050(3) -0.037(2) 0.003(2) -0.014(2) C201 0.043(3) 0.088(3) 0.052(3) -0.033(2) 0.005(2) -0.013(2) C202 0.042(2) 0.067(3) 0.042(2) -0.0251(19) 0.005(2) -0.015(2) C203 0.048(3) 0.080(3) 0.058(3) -0.039(2) -0.003(2) -0.010(2) C204 0.051(3) 0.078(3) 0.057(3) -0.040(2) 0.001(2) -0.010(2) O25 0.135(6) 0.099(4) 0.122(6) -0.030(4) 0.010(5) 0.000(5) O26 0.097(5) 0.144(7) 0.260(12) -0.023(8) 0.076(6) -0.032(5) O27 0.138(6) 0.137(5) 0.096(4) -0.068(3) 0.038(4) -0.037(4) O28 0.109(5) 0.159(6) 0.069(4) -0.004(4) -0.016(3) -0.039(4) O29 0.079(4) 0.284(11) 0.107(5) -0.073(6) 0.025(4) -0.056(5) O30 0.314(12) 0.133(5) 0.181(8) -0.074(5) 0.111(8) -0.120(6) O31 0.097(4) 0.228(8) 0.100(5) -0.058(5) 0.008(4) -0.064(5) O32 0.101(4) 0.267(10) 0.117(6) -0.076(6) 0.031(4) -0.080(5) O33 0.083(4) 0.231(8) 0.106(5) -0.073(5) 0.006(3) -0.053(4) S1 0.138(2) 0.0920(12) 0.130(2) -0.0522(12) 0.0112(18) -0.0284(13) S2 0.0677(9) 0.0818(9) 0.0797(10) -0.0333(7) -0.0084(8) -0.0133(7) S3 0.0738(10) 0.0979(11) 0.0755(11) -0.0286(9) 0.0125(9) -0.0264(9) S4 0.0747(11) 0.1247(13) 0.0910(11) -0.0648(8) -0.0119(9) 0.0071(10) S5 0.0806(12) 0.0923(12) 0.0950(14) -0.0301(10) 0.0090(11) -0.0204(10) S6 0.0981(12) 0.1121(11) 0.0808(11) -0.0445(9) 0.0259(9) -0.0520(9) S7 0.0805(13) 0.264(3) 0.0859(14) -0.0730(16) 0.0140(11) -0.0611(16) S8 0.0487(13) 0.0866(18) 0.110(2) -0.0364(17) 0.0278(14) -0.0204(12) C325 0.183(15) 0.094(7) 0.168(13) -0.042(8) -0.008(12) -0.002(9) C326 0.067(4) 0.102(6) 0.079(5) -0.015(5) 0.005(4) -0.004(4) C327 0.099(6) 0.102(6) 0.096(6) -0.034(5) 0.008(5) -0.026(5) C328 0.058(4) 0.169(8) 0.084(5) -0.066(4) 0.013(4) -0.020(5) C329 0.102(6) 0.061(3) 0.109(6) -0.033(4) 0.009(5) -0.012(4) C330 0.091(5) 0.144(6) 0.086(5) -0.054(4) 0.004(4) -0.056(4) C331 0.124(8) 0.197(12) 0.116(9) -0.048(9) 0.041(7) -0.068(8) C332 0.072(8) 0.049(6) 0.165(17) -0.027(8) 0.026(10) 0.002(6) C339 0.163(10) 0.165(10) 0.199(12) -0.096(8) 0.101(8) -0.075(8) C340 0.087(7) 0.137(9) 0.177(12) -0.067(8) 0.010(8) -0.013(6) C341 0.087(6) 0.232(13) 0.183(13) -0.071(10) 0.004(7) -0.075(6) C432 2.0(3) 0.26(4) 0.077(15) -0.077(16) -0.18(5) -0.21(8) O34 0.041(3) 0.074(4) 0.079(5) -0.025(4) 0.020(3) -0.018(3) O35 0.125(9) 0.107(8) 0.140(10) -0.025(8) 0.069(7) -0.024(7) O36 0.132(8) 0.115(6) 0.105(8) -0.050(5) 0.017(7) -0.063(5) F1 0.233(10) 0.120(5) 0.157(7) -0.039(5) -0.007(7) -0.048(6) F2 0.138(7) 0.142(6) 0.397(19) -0.090(9) 0.062(9) -0.031(6) F3 0.332(19) 0.54(4) 0.237(14) -0.01(2) -0.153(12) -0.06(2) F4 0.092(3) 0.084(3) 0.156(5) -0.032(3) -0.026(3) -0.006(3) F5 0.118(4) 0.131(3) 0.208(5) -0.080(3) -0.051(3) -0.041(2) F6 0.170(6) 0.119(4) 0.188(7) -0.058(4) 0.060(5) -0.073(3) F7 0.251(10) 0.105(4) 0.155(6) -0.047(4) -0.040(7) -0.021(5) F8 0.212(8) 0.130(5) 0.084(4) -0.034(3) -0.005(5) -0.032(5) F9 0.143(5) 0.190(6) 0.176(7) -0.047(5) -0.039(5) -0.069(4) F10 0.128(4) 0.159(4) 0.196(7) -0.060(4) -0.010(4) -0.078(3) F11 0.131(5) 0.185(5) 0.083(3) -0.070(3) 0.011(3) -0.045(4) F12 0.066(3) 0.436(13) 0.124(4) -0.143(5) 0.005(3) -0.027(5) F13 0.184(6) 0.133(4) 0.113(3) -0.058(3) -0.055(3) -0.022(4) F14 0.158(5) 0.153(5) 0.111(4) -0.042(4) 0.037(4) -0.077(4) F15 0.178(7) 0.129(5) 0.145(6) -0.023(5) -0.026(6) 0.061(5) F16 0.234(9) 0.155(6) 0.076(4) -0.005(4) -0.010(5) -0.072(5) F17 0.117(4) 0.189(6) 0.163(6) -0.054(5) 0.065(4) -0.073(4) F18 0.145(4) 0.265(6) 0.109(4) -0.088(3) -0.012(3) -0.096(4) F19 0.119(5) 0.343(12) 0.199(9) -0.102(8) 0.047(5) -0.117(5) F20 0.154(8) 0.315(17) 0.144(8) 0.019(10) 0.017(7) -0.037(9) F21 0.209(10) 0.283(13) 0.140(6) -0.095(7) 0.058(6) -0.025(10) F22 0.086(6) 0.090(6) 0.195(13) -0.023(7) 0.028(7) -0.015(5) F23 0.072(5) 0.141(8) 0.182(10) -0.076(7) 0.033(6) -0.008(6) F24 0.109(7) 0.115(6) 0.111(6) -0.061(4) -0.006(6) -0.004(5) F22' 0.167(12) 0.241(14) 0.110(9) -0.098(8) 0.049(8) -0.105(10) F23' 0.178(14) 0.138(10) 0.30(3) -0.063(13) -0.004(17) -0.089(8) F24' 0.25(2) 0.177(14) 0.126(13) -0.059(11) 0.006(15) -0.082(14) S8' 0.072(3) 0.119(3) 0.101(3) -0.050(3) 0.012(2) -0.019(2) O34' 0.074(9) 0.40(4) 0.055(8) 0.006(15) 0.020(7) -0.037(16) O35' 0.084(9) 0.189(17) 0.106(12) -0.034(12) 0.022(8) -0.050(9) O36' 0.21(2) 0.082(8) 0.186(15) -0.077(8) -0.054(15) 0.014(11) O61 0.331(18) 0.186(10) 0.124(7) -0.058(7) 0.063(9) -0.097(10) O60 0.124(6) 0.295(11) 0.152(6) -0.124(6) -0.018(5) -0.047(6) O59 0.102(4) 0.120(4) 0.074(3) -0.034(3) 0.014(3) -0.023(4) O55 0.087(4) 0.138(6) 0.147(7) -0.051(5) 0.017(5) -0.010(4) O58 0.066(4) 0.313(14) 0.113(6) -0.055(7) 0.020(4) -0.044(6) O56 0.136(5) 0.111(4) 0.143(6) -0.049(4) 0.031(5) -0.057(4) O57 0.121(4) 0.191(4) 0.117(4) -0.097(3) 0.041(3) -0.090(3) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0137 0.0067 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0241 0.0134 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' F F 0.0583 0.0400 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' S S 0.2925 0.4295 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' K K 0.3778 0.8310 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Rh Rh -0.0161 2.8414 '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' O O 0.0389 0.0241 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag N2 Rh1 N1 79.0(2) . . ? N36 Rh1 N1 89.6(2) . . ? N36 Rh1 N2 90.9(2) . . ? N36 Rh1 C1A 123.8(3) . . ? N36 Rh1 C2A 95.0(3) . . ? C1A Rh1 N1 98.2(3) . . ? C1A Rh1 N2 145.2(3) . . ? C1A Rh1 C2A 37.6(4) . . ? C2A Rh1 N1 125.5(3) . . ? C2A Rh1 N2 154.8(3) . . ? C3A Rh1 N1 162.2(3) . . ? C3A Rh1 N2 116.0(3) . . ? C3A Rh1 N36 99.3(4) . . ? C3A Rh1 C1A 64.1(3) . . ? C3A Rh1 C2A 38.8(3) . . ? C3A Rh1 C4A 38.5(5) . . ? C3A Rh1 C5A 66.5(5) . . ? C4A Rh1 N1 136.5(4) . . ? C4A Rh1 N2 94.2(3) . . ? C4A Rh1 N36 133.7(3) . . ? C4A Rh1 C1A 63.9(3) . . ? C4A Rh1 C2A 64.3(4) . . ? C4A Rh1 C5A 39.5(4) . . ? C5A Rh1 N1 101.0(3) . . ? C5A Rh1 N2 106.4(3) . . ? C5A Rh1 N36 161.0(3) . . ? C5A Rh1 C1A 39.5(4) . . ? C5A Rh1 C2A 66.1(4) . . ? N3 Rh2 N4 78.52(19) . . ? N3 Rh2 C1B 121.1(3) . . ? N3 Rh2 C5B 95.4(2) . . ? N4 Rh2 C5B 140.0(3) . . ? N25 Rh2 N3 89.06(18) . . ? N25 Rh2 N4 93.3(2) . . ? N25 Rh2 C1B 96.3(3) . . ? N25 Rh2 C2B 98.2(3) . . ? N25 Rh2 C3B 131.0(2) . . ? N25 Rh2 C5B 126.4(3) . . ? C1B Rh2 N4 158.2(2) . . ? C1B Rh2 C5B 37.9(3) . . ? C2B Rh2 N3 159.7(3) . . ? C2B Rh2 N4 119.7(3) . . ? C2B Rh2 C1B 39.5(3) . . ? C2B Rh2 C3B 37.6(3) . . ? C2B Rh2 C5B 65.0(3) . . ? C3B Rh2 N3 139.9(2) . . ? C3B Rh2 N4 95.3(3) . . ? C3B Rh2 C1B 63.8(3) . . ? C3B Rh2 C5B 64.2(3) . . ? C4B Rh2 N3 103.3(2) . . ? C4B Rh2 N4 103.3(2) . . ? C4B Rh2 N25 160.9(3) . . ? C4B Rh2 C1B 64.9(3) . . ? C4B Rh2 C2B 65.5(3) . . ? C4B Rh2 C3B 39.0(3) . . ? C4B Rh2 C5B 39.1(3) . . ? N5 Rh3 N6 79.7(2) . . ? N5 Rh3 C2C 94.8(4) . . ? N5 Rh3 C4C 139.2(4) . . ? N5 Rh3 C5C 156.0(3) . . ? N6 Rh3 C4C 93.1(4) . . ? N28 Rh3 N5 90.2(3) . . ? N28 Rh3 N6 89.2(2) . . ? N28 Rh3 C2C 134.3(5) . . ? N28 Rh3 C4C 130.1(3) . . ? N28 Rh3 C5C 96.2(4) . . ? C1C Rh3 N5 119.8(4) . . ? C1C Rh3 N6 158.1(4) . . ? C1C Rh3 N28 99.9(4) . . ? C1C Rh3 C2C 39.9(5) . . ? C1C Rh3 C4C 65.8(5) . . ? C1C Rh3 C5C 36.3(4) . . ? C2C Rh3 N6 136.4(5) . . ? C2C Rh3 C4C 63.2(5) . . ? C2C Rh3 C5C 64.4(5) . . ? C3C Rh3 N5 105.7(3) . . ? C3C Rh3 N6 104.8(4) . . ? C3C Rh3 N28 160.3(4) . . ? C3C Rh3 C1C 62.3(5) . . ? C3C Rh3 C2C 34.9(5) . . ? C3C Rh3 C4C 37.2(4) . . ? C3C Rh3 C5C 64.6(4) . . ? C5C Rh3 N6 123.4(4) . . ? C5C Rh3 C4C 43.3(5) . . ? N8 Rh4 N7 79.3(2) . . ? N29 Rh4 N7 91.7(2) . . ? N29 Rh4 N8 89.4(2) . . ? N29 Rh4 C1D 97.1(3) . . ? C1D Rh4 N7 118.9(3) . . ? C1D Rh4 N8 160.3(3) . . ? C2D Rh4 N7 95.1(3) . . ? C2D Rh4 N8 140.7(4) . . ? C2D Rh4 N29 129.8(3) . . ? C2D Rh4 C1D 37.9(4) . . ? C2D Rh4 C4D 63.9(4) . . ? C3D Rh4 N7 101.7(3) . . ? C3D Rh4 N8 104.6(3) . . ? C3D Rh4 N29 162.0(3) . . ? C3D Rh4 C1D 66.0(3) . . ? C3D Rh4 C2D 37.9(4) . . ? C3D Rh4 C4D 40.1(4) . . ? C4D Rh4 N7 139.1(3) . . ? C4D Rh4 N8 95.2(3) . . ? C4D Rh4 N29 128.9(3) . . ? C4D Rh4 C1D 66.3(3) . . ? C5D Rh4 N7 156.9(3) . . ? C5D Rh4 N8 121.2(3) . . ? C5D Rh4 N29 98.7(3) . . ? C5D Rh4 C1D 39.5(4) . . ? C5D Rh4 C2D 62.4(4) . . ? C5D Rh4 C3D 64.6(4) . . ? C5D Rh4 C4D 37.8(4) . . ? N9 Rh5 N10 79.2(2) . . ? N9 Rh5 C1E 148.3(3) . . ? N9 Rh5 C2E 150.0(3) . . ? N9 Rh5 C3E 111.7(3) . . ? N9 Rh5 C4E 92.3(3) . . ? N9 Rh5 C5E 108.8(4) . . ? N32 Rh5 N9 91.8(2) . . ? N32 Rh5 N10 88.0(2) . . ? N32 Rh5 C1E 119.9(3) . . ? N32 Rh5 C2E 95.2(3) . . ? N32 Rh5 C3E 102.8(3) . . ? N32 Rh5 C4E 138.4(4) . . ? N32 Rh5 C5E 159.0(3) . . ? C1E Rh5 N10 99.3(3) . . ? C1E Rh5 C4E 65.5(4) . . ? C2E Rh5 N10 130.0(3) . . ? C2E Rh5 C1E 37.9(3) . . ? C2E Rh5 C3E 38.3(4) . . ? C2E Rh5 C4E 63.6(4) . . ? C3E Rh5 N10 164.0(3) . . ? C3E Rh5 C1E 65.2(4) . . ? C3E Rh5 C4E 38.3(4) . . ? C4E Rh5 N10 133.4(4) . . ? C5E Rh5 N10 99.7(4) . . ? C5E Rh5 C1E 39.8(4) . . ? C5E Rh5 C2E 64.8(4) . . ? C5E Rh5 C3E 66.2(4) . . ? C5E Rh5 C4E 39.8(5) . . ? N11 Rh6 N12 79.43(19) . . ? N33 Rh6 N11 92.7(2) . . ? N33 Rh6 N12 88.34(19) . . ? N33 Rh6 C1F 137.5(3) . . ? N33 Rh6 C3F 121.7(3) . . ? C1F Rh6 N11 92.5(3) . . ? C1F Rh6 N12 134.1(3) . . ? C1F Rh6 C3F 65.3(3) . . ? C2F Rh6 N11 107.6(3) . . ? C2F Rh6 N12 98.6(2) . . ? C2F Rh6 N33 159.4(2) . . ? C2F Rh6 C1F 40.8(3) . . ? C2F Rh6 C3F 38.5(3) . . ? C2F Rh6 C4F 65.7(3) . . ? C2F Rh6 C5F 65.8(3) . . ? C3F Rh6 N11 145.5(3) . . ? C3F Rh6 N12 96.9(3) . . ? C4F Rh6 N11 152.8(3) . . ? C4F Rh6 N12 126.9(3) . . ? C4F Rh6 N33 94.7(3) . . ? C4F Rh6 C1F 64.8(3) . . ? C4F Rh6 C3F 38.8(4) . . ? C5F Rh6 N11 112.9(3) . . ? C5F Rh6 N12 162.0(3) . . ? C5F Rh6 N33 103.6(3) . . ? C5F Rh6 C1F 37.0(3) . . ? C5F Rh6 C3F 65.4(3) . . ? C5F Rh6 C4F 39.9(4) . . ? N14 Rh7 N13 79.22(18) . . ? N48 Rh7 N13 89.13(19) . . ? N48 Rh7 N14 91.4(2) . . ? N48 Rh7 C1G 94.0(3) . . ? N48 Rh7 C2G 115.3(3) . . ? N48 Rh7 C4G 146.2(3) . . ? N48 Rh7 C5G 107.5(3) . . ? C1G Rh7 N13 136.0(2) . . ? C1G Rh7 N14 144.4(3) . . ? C1G Rh7 C4G 64.8(3) . . ? C2G Rh7 N13 101.8(2) . . ? C2G Rh7 N14 153.3(3) . . ? C2G Rh7 C1G 38.4(3) . . ? C2G Rh7 C4G 64.8(3) . . ? C3G Rh7 N13 96.4(2) . . ? C3G Rh7 N14 113.3(3) . . ? C3G Rh7 N48 155.3(3) . . ? C3G Rh7 C1G 65.5(3) . . ? C3G Rh7 C2G 40.1(3) . . ? C3G Rh7 C4G 37.7(3) . . ? C3G Rh7 C5G 65.7(3) . . ? C4G Rh7 N13 124.6(3) . . ? C4G Rh7 N14 92.3(3) . . ? C5G Rh7 N13 162.1(2) . . ? C5G Rh7 N14 106.4(3) . . ? C5G Rh7 C1G 38.8(3) . . ? C5G Rh7 C2G 65.4(3) . . ? C5G Rh7 C4G 39.6(3) . . ? N15 Rh8 C1H 132.8(3) . . ? N16 Rh8 N15 78.84(19) . . ? N16 Rh8 N37 88.9(2) . . ? N16 Rh8 C1H 94.0(3) . . ? N16 Rh8 C3H 154.9(3) . . ? N16 Rh8 C5H 108.7(2) . . ? N37 Rh8 N15 88.6(2) . . ? N37 Rh8 C1H 138.3(3) . . ? N37 Rh8 C3H 96.6(3) . . ? N37 Rh8 C5H 161.4(3) . . ? C2H Rh8 N15 162.8(3) . . ? C2H Rh8 N16 113.7(2) . . ? C2H Rh8 N37 102.9(3) . . ? C2H Rh8 C1H 38.8(4) . . ? C2H Rh8 C3H 41.2(3) . . ? C2H Rh8 C4H 65.8(3) . . ? C2H Rh8 C5H 65.1(3) . . ? C3H Rh8 N15 125.6(3) . . ? C3H Rh8 C1H 65.8(3) . . ? C3H Rh8 C5H 64.9(4) . . ? C4H Rh8 N15 97.1(3) . . ? C4H Rh8 N16 145.2(3) . . ? C4H Rh8 N37 125.7(3) . . ? C4H Rh8 C1H 63.3(3) . . ? C4H Rh8 C3H 38.8(4) . . ? C4H Rh8 C5H 37.5(3) . . ? C5H Rh8 N15 100.4(3) . . ? C5H Rh8 C1H 37.7(3) . . ? N17 Rh9 N18 78.7(2) . . ? N17 Rh9 N40 89.1(2) . . ? N17 Rh9 C1I 154.9(3) . . ? N17 Rh9 C3I 94.4(3) . . ? N17 Rh9 C5I 145.9(3) . . ? N17 Rh9 C11I 163.3(4) . . ? N17 Rh9 C14I 102.0(5) . . ? N18 Rh9 C1I 125.6(3) . . ? N18 Rh9 C3I 135.5(3) . . ? N40 Rh9 N18 91.4(2) . . ? N40 Rh9 C1I 96.2(3) . . ? N40 Rh9 C3I 132.7(3) . . ? N40 Rh9 C5I 124.9(3) . . ? N40 Rh9 C11I 102.8(3) . . ? N40 Rh9 C14I 110.9(6) . . ? C1I Rh9 C3I 64.2(4) . . ? C2I Rh9 N17 117.2(3) . . ? C2I Rh9 N18 159.9(3) . . ? C2I Rh9 N40 100.7(3) . . ? C2I Rh9 C1I 37.7(3) . . ? C2I Rh9 C3I 37.5(4) . . ? C2I Rh9 C4I 63.9(4) . . ? C2I Rh9 C5I 63.5(4) . . ? C4I Rh9 N17 105.9(3) . . ? C4I Rh9 N18 101.0(4) . . ? C4I Rh9 N40 162.0(3) . . ? C4I Rh9 C1I 66.0(4) . . ? C4I Rh9 C3I 38.3(4) . . ? C4I Rh9 C5I 41.3(4) . . ? C5I Rh9 N18 96.4(3) . . ? C5I Rh9 C1I 38.1(4) . . ? C5I Rh9 C3I 65.4(4) . . ? C11I Rh9 N18 112.2(3) . . ? C12I Rh9 N17 131.0(4) . . ? C12I Rh9 N18 96.0(5) . . ? C12I Rh9 N40 139.9(4) . . ? C12I Rh9 C11I 38.4(3) . . ? C12I Rh9 C14I 66.4(7) . . ? C13I Rh9 N17 98.3(6) . . ? C13I Rh9 N18 117.8(5) . . ? C13I Rh9 N40 150.7(6) . . ? C13I Rh9 C11I 65.7(6) . . ? C13I Rh9 C12I 41.5(5) . . ? C13I Rh9 C14I 39.9(5) . . ? C14I Rh9 N18 157.7(6) . . ? C14I Rh9 C11I 62.9(5) . . ? N19 Rh10 C1J 147.5(3) . . ? N19 Rh10 C3J 92.8(3) . . ? N20 Rh10 N19 78.1(2) . . ? N20 Rh10 C1J 134.0(3) . . ? N20 Rh10 C3J 126.0(4) . . ? N41 Rh10 N19 89.8(2) . . ? N41 Rh10 N20 90.1(2) . . ? N41 Rh10 C1J 94.1(3) . . ? N41 Rh10 C3J 143.5(4) . . ? N41 Rh10 C4J 156.4(3) . . ? N41 Rh10 C5J 118.3(3) . . ? C2J Rh10 N19 109.6(3) . . ? C2J Rh10 N20 161.7(3) . . ? C2J Rh10 N41 106.1(3) . . ? C2J Rh10 C1J 38.6(4) . . ? C2J Rh10 C3J 39.4(5) . . ? C2J Rh10 C4J 64.2(4) . . ? C2J Rh10 C5J 65.3(4) . . ? C3J Rh10 C1J 65.6(4) . . ? C4J Rh10 N19 113.7(3) . . ? C4J Rh10 N20 97.6(3) . . ? C4J Rh10 C1J 64.6(4) . . ? C4J Rh10 C3J 38.1(4) . . ? C5J Rh10 N19 152.0(3) . . ? C5J Rh10 N20 99.9(3) . . ? C5J Rh10 C1J 39.4(4) . . ? C5J Rh10 C3J 65.4(4) . . ? C5J Rh10 C4J 38.4(4) . . ? N21 Rh11 C2K 156.2(2) . . ? N21 Rh11 C4K 106.0(3) . . ? N21 Rh11 C11K 107.5(2) . . ? N21 Rh11 C12K 142.7(2) . . ? N22 Rh11 N21 78.4(3) . . ? N22 Rh11 C2K 105.8(2) . . ? N22 Rh11 C4K 160.6(2) . . ? N22 Rh11 C11K 98.3(2) . . ? N22 Rh11 C12K 92.2(2) . . ? N44 Rh11 N21 88.7(2) . . ? N44 Rh11 N22 90.2(3) . . ? N44 Rh11 C2K 114.5(2) . . ? N44 Rh11 C4K 108.6(3) . . ? N44 Rh11 C5K 145.5(3) . . ? N44 Rh11 C11K 162.92(19) . . ? N44 Rh11 C12K 127.7(2) . . ? C1K Rh11 N21 118.6(2) . . ? C1K Rh11 N22 97.7(2) . . ? C1K Rh11 N44 152.5(2) . . ? C1K Rh11 C2K 38.05(10) . . ? C1K Rh11 C4K 63.33(16) . . ? C1K Rh11 C5K 38.35(10) . . ? C2K Rh11 C4K 62.61(16) . . ? C5K Rh11 N21 94.4(2) . . ? C5K Rh11 N22 124.1(2) . . ? C5K Rh11 C2K 63.46(15) . . ? C5K Rh11 C4K 37.74(11) . . ? C12K Rh11 C11K 37.70(10) . . ? C13K Rh11 N21 159.2(3) . . ? C13K Rh11 N22 120.5(3) . . ? C13K Rh11 N44 99.1(2) . . ? C13K Rh11 C11K 63.86(16) . . ? C13K Rh11 C12K 38.20(11) . . ? C13K Rh11 C15K 64.62(16) . . ? C14K Rh11 N21 120.6(3) . . ? C14K Rh11 N22 156.5(3) . . ? C14K Rh11 N44 103.1(2) . . ? C14K Rh11 C11K 64.24(16) . . ? C14K Rh11 C12K 64.35(16) . . ? C14K Rh11 C13K 38.91(11) . . ? C14K Rh11 C15K 38.80(11) . . ? C15K Rh11 N21 96.6(2) . . ? C15K Rh11 N22 132.9(2) . . ? C15K Rh11 N44 136.8(3) . . ? C15K Rh11 C11K 38.03(10) . . ? C15K Rh11 C12K 63.77(16) . . ? N23 Rh12 N24 79.2(3) . . ? N45 Rh12 N23 89.3(3) . . ? N45 Rh12 N24 90.9(3) . . ? N45 Rh12 C1L 132.6(6) . . ? N45 Rh12 C2L 159.4(4) . . ? N45 Rh12 C3L 122.0(5) . . ? N45 Rh12 C4L 93.8(5) . . ? N45 Rh12 C5L 101.7(7) . . ? C1L Rh12 N23 94.5(5) . . ? C1L Rh12 N24 136.2(5) . . ? C1L Rh12 C3L 65.5(6) . . ? C1L Rh12 C4L 63.1(7) . . ? C2L Rh12 N23 107.6(4) . . ? C2L Rh12 N24 103.6(4) . . ? C2L Rh12 C1L 36.9(6) . . ? C2L Rh12 C3L 42.1(6) . . ? C2L Rh12 C4L 65.7(5) . . ? C2L Rh12 C5L 60.2(7) . . ? C3L Rh12 N23 148.7(5) . . ? C3L Rh12 N24 98.4(4) . . ? C3L Rh12 C4L 38.9(7) . . ? C4L Rh12 N23 151.6(7) . . ? C4L Rh12 N24 128.9(7) . . ? C5L Rh12 N23 118.2(8) . . ? C5L Rh12 N24 158.2(7) . . ? C5L Rh12 C1L 36.9(7) . . ? C5L Rh12 C3L 59.8(8) . . ? C5L Rh12 C4L 33.6(9) . . ? O1 K1 O3 97.91(16) . . ? O1 K1 O5 96.21(16) . . ? O1 K1 O8 178.95(18) . . ? O1 K1 O10 83.37(15) . . ? O1 K1 O12 80.81(15) . . ? O3 K1 O5 96.98(18) . . ? O3 K1 O8 82.27(17) . . ? O3 K1 O10 81.34(17) . . ? O3 K1 O12 178.50(15) . . ? O5 K1 O8 82.74(16) . . ? O5 K1 O10 178.18(17) . . ? O5 K1 O12 83.95(16) . . ? O8 K1 O10 97.68(16) . . ? O8 K1 O12 99.03(16) . . ? O12 K1 O10 97.72(16) . . ? O2 K2 O4 82.7(2) . . ? O2 K2 O13 98.7(3) . . ? O2 K2 O55 162.2(3) . . ? O2 K2 O56 84.2(2) . . ? O4 K2 O13 168.2(3) . . ? O4 K2 O55 79.6(3) . . ? O4 K2 O56 82.8(2) . . ? O6 K2 O2 86.4(2) . . ? O6 K2 O4 84.5(2) . . ? O6 K2 O13 107.3(3) . . ? O6 K2 O55 89.7(3) . . ? O6 K2 O56 165.0(3) . . ? O55 K2 O13 99.1(4) . . ? O56 K2 O13 85.7(3) . . ? O56 K2 O55 95.8(3) . . ? C1 N1 Rh1 108.3(4) . . ? C1 N1 C14 103.8(6) . . ? C14 N1 Rh1 147.6(5) . . ? C2 N2 Rh1 107.6(4) . . ? C2 N2 C3 103.4(5) . . ? C3 N2 Rh1 148.9(5) . . ? C2 N3 Rh2 109.3(4) . . ? C2 N3 C8 102.6(5) . . ? C8 N3 Rh2 147.2(5) . . ? C1 N4 Rh2 109.9(4) . . ? C1 N4 C9 102.9(5) . . ? C9 N4 Rh2 147.2(5) . . ? C15 N5 Rh3 108.4(5) . . ? C15 N5 C28 101.6(8) . . ? C15 N5 C28' 110.2(12) . . ? C28 N5 Rh3 149.2(8) . . ? C28' N5 Rh3 140.3(10) . . ? C16 N6 Rh3 108.3(5) . . ? C16 N6 C17 102.7(6) . . ? C17 N6 Rh3 148.4(5) . . ? C16 N7 Rh4 106.7(4) . . ? C16 N7 C22 103.2(6) . . ? C22 N7 Rh4 149.9(5) . . ? C15 N8 Rh4 109.3(5) . . ? C15 N8 C23 104.6(6) . . ? C15 N8 C23' 104.6(6) . . ? C23 N8 Rh4 145.2(6) . . ? C23' N8 Rh4 145.2(6) . . ? C29 N9 Rh5 109.4(4) . . ? C29 N9 C42 102.3(5) . . ? C42 N9 Rh5 148.2(5) . . ? C30 N10 Rh5 109.6(5) . . ? C30 N10 C31 101.2(6) . . ? C31 N10 Rh5 148.6(5) . . ? C30 N11 Rh6 110.1(4) . . ? C30 N11 C36 102.0(5) . . ? C36 N11 Rh6 147.8(5) . . ? C29 N12 Rh6 108.6(4) . . ? C29 N12 C37 103.2(5) . . ? C37 N12 Rh6 147.8(4) . . ? C43 N13 Rh7 107.4(4) . . ? C43 N13 C56 103.7(5) . . ? C56 N13 Rh7 148.7(4) . . ? C44 N14 Rh7 108.2(4) . . ? C44 N14 C45 104.5(5) . . ? C45 N14 Rh7 146.8(4) . . ? C44 N15 Rh8 108.7(4) . . ? C44 N15 C50 102.3(6) . . ? C50 N15 Rh8 148.9(5) . . ? C43 N16 Rh8 110.2(4) . . ? C43 N16 C51 103.8(5) . . ? C51 N16 Rh8 145.5(4) . . ? C21I N17 Rh9 110.4(4) . . ? C21I N17 C70 102.0(6) . . ? C70 N17 Rh9 147.3(5) . . ? C58 N18 Rh9 109.2(4) . . ? C58 N18 C59 100.9(6) . . ? C59 N18 Rh9 149.7(5) . . ? C58 N19 Rh10 110.0(4) . . ? C58 N19 C64 102.0(6) . . ? C64 N19 Rh10 148.0(5) . . ? C21I N20 Rh10 111.2(4) . . ? C21I N20 C65 100.3(6) . . ? C65 N20 Rh10 148.4(5) . . ? C71 N21 Rh11 109.4(6) . . ? C71 N21 C84 104.5(7) . . ? C84 N21 Rh11 145.6(6) . . ? C72 N22 Rh11 107.8(6) . . ? C72 N22 C73 103.8(7) . . ? C73 N22 Rh11 148.2(6) . . ? C72 N23 Rh12 107.5(6) . . ? C72 N23 C78 104.6(7) . . ? C78 N23 Rh12 147.9(6) . . ? C71 N24 Rh12 108.2(6) . . ? C71 N24 C79 103.9(7) . . ? C79 N24 Rh12 147.4(5) . . ? C85 N25 Rh2 121.3(4) . . ? C85 N25 C89 117.7(5) . . ? C89 N25 Rh2 120.9(4) . . ? C90 N26 C91 123.6(5) . . ? C99 N27 C98 116.7(7) . . ? C100 N28 Rh3 118.4(5) . . ? C100 N28 C104 117.4(7) . . ? C104 N28 Rh3 124.1(5) . . ? C105 N29 Rh4 121.6(5) . . ? C105 N29 C109 118.1(6) . . ? C109 N29 Rh4 120.3(4) . . ? C110 N30 C111 124.8(6) . . ? C119 N31 C118 121.2(7) . . ? C120 N32 Rh5 120.8(5) . . ? C124 N32 Rh5 121.6(5) . . ? C124 N32 C120 117.5(6) . . ? C125 N33 Rh6 119.3(5) . . ? C125 N33 C129 119.4(6) . . ? C129 N33 Rh6 121.3(4) . . ? C130 N34 C131 123.7(6) . . ? C139 N35 C138 123.8(8) . . ? C140 N36 Rh1 119.2(5) . . ? C144 N36 Rh1 122.1(5) . . ? C144 N36 C140 118.6(7) . . ? C145 N37 Rh8 120.6(5) . . ? C145 N37 C149 119.4(7) . . ? C149 N37 Rh8 119.8(5) . . ? C150 N38 C151 122.3(7) . . ? C159 N39 C158 123.8(5) . . ? C160 N40 Rh9 123.3(5) . . ? C160 N40 C164 117.6(6) . . ? C164 N40 Rh9 119.1(4) . . ? C165 N41 Rh10 117.2(5) . . ? C169 N41 Rh10 123.7(4) . . ? C169 N41 C165 118.6(6) . . ? C170 N42 C171 124.4(6) . . ? C179 N43 C178 123.0(6) . . ? C180 N44 Rh11 121.8(5) . . ? C180 N44 C184 118.8(6) . . ? C184 N44 Rh11 119.4(5) . . ? C185 N45 Rh12 119.4(7) . . ? C189 N45 Rh12 124.5(7) . . ? C189 N45 C185 116.0(8) . . ? C190 N46 C191 121.4(7) . . ? C199 N47 C198 124.3(5) . . ? C200 N48 Rh7 123.2(4) . . ? C204 N48 Rh7 118.6(4) . . ? C204 N48 C200 118.1(5) . . ? C90 O1 K1 164.9(4) . . ? C99 O2 K2 167.1(7) . . ? C110 O3 K1 162.6(5) . . ? C119 O4 K2 166.1(5) . . ? C130 O5 K1 162.7(5) . . ? C139 O6 K2 171.7(7) . . ? C159 O8 K1 162.2(4) . . ? C179 O10 K1 161.3(5) . . ? C199 O12 K1 158.2(4) . . ? S1 O13 K2 118.4(8) . . ? C2A C1A Rh1 71.4(5) . . ? C2A C1A C5A 111.0(7) . . ? C2A C1A C6A 125.6(9) . . ? C5A C1A Rh1 69.6(4) . . ? C5A C1A C6A 123.3(9) . . ? C6A C1A Rh1 124.3(6) . . ? C1A C2A Rh1 71.0(5) . . ? C1A C2A C3A 107.5(10) . . ? C1A C2A C7A 128.8(8) . . ? C3A C2A Rh1 69.5(5) . . ? C3A C2A C7A 123.7(9) . . ? C7A C2A Rh1 125.1(7) . . ? C2A C3A Rh1 71.7(5) . . ? C2A C3A C8A 127.0(13) . . ? C4A C3A Rh1 70.8(5) . . ? C4A C3A C2A 107.5(9) . . ? C4A C3A C8A 125.3(12) . . ? C8A C3A Rh1 126.9(9) . . ? C3A C4A Rh1 70.7(6) . . ? C3A C4A C5A 110.6(9) . . ? C3A C4A C9A 124.7(10) . . ? C5A C4A Rh1 70.4(5) . . ? C5A C4A C9A 124.7(11) . . ? C9A C4A Rh1 127.7(8) . . ? C1A C5A Rh1 70.9(5) . . ? C1A C5A C10A 124.0(9) . . ? C4A C5A Rh1 70.1(5) . . ? C4A C5A C1A 103.2(9) . . ? C4A C5A C10A 132.6(10) . . ? C10A C5A Rh1 126.7(7) . . ? C2B C1B Rh2 69.4(5) . . ? C2B C1B C6B 129.4(9) . . ? C5B C1B Rh2 72.0(5) . . ? C5B C1B C2B 108.5(7) . . ? C5B C1B C6B 122.0(8) . . ? C6B C1B Rh2 127.8(6) . . ? C1B C2B Rh2 71.1(4) . . ? C1B C2B C7B 122.3(9) . . ? C3B C2B Rh2 72.0(4) . . ? C3B C2B C1B 107.0(7) . . ? C3B C2B C7B 130.4(9) . . ? C7B C2B Rh2 126.4(7) . . ? C2B C3B Rh2 70.4(4) . . ? C2B C3B C4B 109.7(7) . . ? C2B C3B C8B 127.6(8) . . ? C4B C3B Rh2 69.0(3) . . ? C4B C3B C8B 122.6(8) . . ? C8B C3B Rh2 124.4(7) . . ? C3B C4B Rh2 72.0(4) . . ? C3B C4B C5B 107.0(7) . . ? C3B C4B C9B 129.4(7) . . ? C5B C4B Rh2 72.9(4) . . ? C5B C4B C9B 123.5(7) . . ? C9B C4B Rh2 122.9(6) . . ? C1B C5B Rh2 70.2(5) . . ? C1B C5B C4B 107.4(7) . . ? C1B C5B C10B 127.0(8) . . ? C4B C5B Rh2 68.0(4) . . ? C10B C5B Rh2 126.4(6) . . ? C10B C5B C4B 125.6(8) . . ? C2C C1C Rh3 71.5(6) . . ? C2C C1C C6C 121.2(12) . . ? C5C C1C Rh3 73.5(6) . . ? C5C C1C C2C 110.8(13) . . ? C5C C1C C6C 127.9(13) . . ? C6C C1C Rh3 124.0(11) . . ? C1C C2C Rh3 68.6(6) . . ? C1C C2C C7C 114(2) . . ? C3C C2C Rh3 70.3(6) . . ? C3C C2C C1C 105.8(11) . . ? C3C C2C C7C 140(2) . . ? C7C C2C Rh3 120.7(14) . . ? C2C C3C Rh3 74.9(8) . . ? C2C C3C C4C 118.1(13) . . ? C2C C3C C8C 125.9(13) . . ? C4C C3C Rh3 73.8(6) . . ? C4C C3C C8C 116.0(13) . . ? C8C C3C Rh3 122.7(9) . . ? C3C C4C Rh3 69.0(7) . . ? C3C C4C C5C 100.5(10) . . ? C3C C4C C9C 135.0(14) . . ? C5C C4C Rh3 68.2(6) . . ? C9C C4C Rh3 127.9(10) . . ? C9C C4C C5C 124.3(11) . . ? C1C C5C Rh3 70.2(6) . . ? C1C C5C C4C 104.7(10) . . ? C1C C5C C10C 133.1(14) . . ? C4C C5C Rh3 68.5(5) . . ? C10C C5C Rh3 125.5(8) . . ? C10C C5C C4C 122.2(12) . . ? C2D C1D Rh4 69.8(5) . . ? C2D C1D C5D 101.4(8) . . ? C2D C1D C6D 132.9(11) . . ? C5D C1D Rh4 68.1(5) . . ? C5D C1D C6D 125.6(11) . . ? C6D C1D Rh4 126.8(7) . . ? C1D C2D Rh4 72.3(5) . . ? C1D C2D C7D 121.7(11) . . ? C3D C2D Rh4 70.6(5) . . ? C3D C2D C1D 114.5(10) . . ? C3D C2D C7D 123.8(11) . . ? C7D C2D Rh4 126.5(7) . . ? C2D C3D Rh4 71.5(5) . . ? C2D C3D C4D 105.5(8) . . ? C2D C3D C8D 132.2(10) . . ? C4D C3D Rh4 71.0(5) . . ? C4D C3D C8D 122.3(8) . . ? C8D C3D Rh4 123.0(6) . . ? C3D C4D Rh4 68.9(4) . . ? C3D C4D C9D 122.9(10) . . ? C5D C4D Rh4 69.4(5) . . ? C5D C4D C3D 105.2(8) . . ? C5D C4D C9D 131.9(12) . . ? C9D C4D Rh4 125.8(7) . . ? C1D C5D Rh4 72.4(5) . . ? C1D C5D C10D 119.4(10) . . ? C4D C5D Rh4 72.8(5) . . ? C4D C5D C1D 113.3(10) . . ? C4D C5D C10D 127.3(10) . . ? C10D C5D Rh4 125.3(8) . . ? C2E C1E Rh5 70.6(4) . . ? C2E C1E C5E 106.9(10) . . ? C2E C1E C6E 128.4(9) . . ? C5E C1E Rh5 69.5(5) . . ? C5E C1E C6E 124.7(10) . . ? C6E C1E Rh5 126.3(7) . . ? C1E C2E Rh5 71.5(4) . . ? C1E C2E C3E 111.6(8) . . ? C1E C2E C7E 124.3(9) . . ? C3E C2E Rh5 71.0(5) . . ? C3E C2E C7E 124.1(8) . . ? C7E C2E Rh5 125.2(6) . . ? C2E C3E Rh5 70.6(5) . . ? C2E C3E C4E 107.2(10) . . ? C2E C3E C8E 127.8(10) . . ? C4E C3E Rh5 72.1(6) . . ? C4E C3E C8E 124.5(11) . . ? C8E C3E Rh5 128.3(7) . . ? C3E C4E Rh5 69.5(5) . . ? C3E C4E C5E 107.9(10) . . ? C3E C4E C9E 127.9(15) . . ? C5E C4E Rh5 68.4(5) . . ? C5E C4E C9E 124.2(14) . . ? C9E C4E Rh5 125.6(7) . . ? C1E C5E Rh5 70.7(5) . . ? C1E C5E C4E 106.2(9) . . ? C4E C5E Rh5 71.8(6) . . ? C10E C5E Rh5 127.7(8) . . ? C10E C5E C1E 127.7(16) . . ? C10E C5E C4E 125.7(15) . . ? C2F C1F Rh6 68.4(4) . . ? C2F C1F C6F 124.5(8) . . ? C5F C1F Rh6 70.7(4) . . ? C5F C1F C2F 108.1(7) . . ? C5F C1F C6F 127.4(9) . . ? C6F C1F Rh6 126.6(6) . . ? C1F C2F Rh6 70.8(4) . . ? C1F C2F C7F 128.5(8) . . ? C3F C2F Rh6 72.3(4) . . ? C3F C2F C1F 106.6(6) . . ? C3F C2F C7F 124.8(8) . . ? C7F C2F Rh6 124.0(5) . . ? C2F C3F Rh6 69.3(4) . . ? C2F C3F C4F 109.1(7) . . ? C2F C3F C8F 126.8(8) . . ? C4F C3F Rh6 70.3(5) . . ? C4F C3F C8F 124.1(8) . . ? C8F C3F Rh6 127.4(5) . . ? C3F C4F Rh6 70.9(4) . . ? C3F C4F C5F 106.4(7) . . ? C3F C4F C9F 128.0(10) . . ? C5F C4F Rh6 69.3(4) . . ? C5F C4F C9F 125.5(10) . . ? C9F C4F Rh6 126.7(6) . . ? C1F C5F Rh6 72.4(4) . . ? C1F C5F C4F 109.7(8) . . ? C1F C5F C10F 124.6(9) . . ? C4F C5F Rh6 70.8(4) . . ? C4F C5F C10F 125.7(8) . . ? C10F C5F Rh6 125.3(6) . . ? C2G C1G Rh7 70.3(4) . . ? C2G C1G C5G 109.0(7) . . ? C2G C1G C6G 124.6(8) . . ? C5G C1G Rh7 70.0(4) . . ? C5G C1G C6G 126.4(8) . . ? C6G C1G Rh7 125.7(6) . . ? C1G C2G Rh7 71.3(4) . . ? C1G C2G C3G 107.5(7) . . ? C1G C2G C7G 127.8(9) . . ? C3G C2G Rh7 69.6(4) . . ? C3G C2G C7G 124.6(8) . . ? C7G C2G Rh7 127.9(6) . . ? C2G C3G Rh7 70.3(4) . . ? C2G C3G C8G 124.6(7) . . ? C4G C3G Rh7 72.6(4) . . ? C4G C3G C2G 107.9(7) . . ? C4G C3G C8G 127.4(8) . . ? C8G C3G Rh7 124.4(5) . . ? C3G C4G Rh7 69.7(4) . . ? C3G C4G C5G 108.7(7) . . ? C3G C4G C9G 128.1(10) . . ? C5G C4G Rh7 69.1(4) . . ? C5G C4G C9G 123.2(9) . . ? C9G C4G Rh7 125.7(6) . . ? C1G C5G Rh7 71.2(4) . . ? C1G C5G C4G 106.8(6) . . ? C1G C5G C10G 120.4(9) . . ? C4G C5G Rh7 71.3(4) . . ? C4G C5G C10G 132.4(9) . . ? C10G C5G Rh7 128.3(6) . . ? C2H C1H Rh8 68.7(4) . . ? C2H C1H C6H 123.6(9) . . ? C5H C1H Rh8 70.1(4) . . ? C5H C1H C2H 108.7(7) . . ? C5H C1H C6H 127.7(9) . . ? C6H C1H Rh8 127.1(7) . . ? C1H C2H Rh8 72.5(5) . . ? C1H C2H C3H 106.2(8) . . ? C1H C2H C7H 127.4(8) . . ? C3H C2H Rh8 70.0(4) . . ? C7H C2H Rh8 129.4(6) . . ? C7H C2H C3H 125.7(9) . . ? C2H C3H Rh8 68.8(4) . . ? C4H C3H Rh8 70.4(5) . . ? C4H C3H C2H 104.8(8) . . ? C4H C3H C8H 129.2(9) . . ? C8H C3H Rh8 126.3(7) . . ? C8H C3H C2H 126.0(10) . . ? C3H C4H Rh8 70.8(5) . . ? C3H C4H C9H 125.1(9) . . ? C5H C4H Rh8 71.8(5) . . ? C5H C4H C3H 110.8(7) . . ? C5H C4H C9H 123.9(10) . . ? C9H C4H Rh8 128.5(7) . . ? C1H C5H Rh8 72.2(5) . . ? C1H C5H C10H 124.3(8) . . ? C4H C5H Rh8 70.8(5) . . ? C4H C5H C1H 109.4(8) . . ? C4H C5H C10H 126.3(8) . . ? C10H C5H Rh8 125.7(7) . . ? C2I C1I Rh9 69.4(5) . . ? C2I C1I C5I 106.9(8) . . ? C2I C1I C6I 127.9(9) . . ? C5I C1I Rh9 70.1(5) . . ? C5I C1I C6I 125.2(9) . . ? C6I C1I Rh9 126.1(7) . . ? C1I C2I Rh9 72.9(5) . . ? C1I C2I C7I 121.9(10) . . ? C3I C2I Rh9 73.5(6) . . ? C3I C2I C1I 113.0(8) . . ? C3I C2I C7I 125.2(9) . . ? C7I C2I Rh9 122.1(8) . . ? C2I C3I Rh9 69.0(5) . . ? C2I C3I C4I 107.1(8) . . ? C2I C3I C8I 119.7(9) . . ? C4I C3I Rh9 69.0(5) . . ? C4I C3I C8I 133.2(10) . . ? C8I C3I Rh9 128.2(8) . . ? C3I C4I Rh9 72.8(5) . . ? C3I C4I C5I 106.1(8) . . ? C3I C4I C9I 119.9(11) . . ? C5I C4I Rh9 69.9(4) . . ? C9I C4I Rh9 122.0(9) . . ? C9I C4I C5I 133.9(12) . . ? C1I C5I Rh9 71.8(5) . . ? C1I C5I C4I 106.8(8) . . ? C1I C5I C10I 123.1(11) . . ? C4I C5I Rh9 68.8(5) . . ? C10I C5I Rh9 128.0(9) . . ? C10I C5I C4I 130.0(11) . . ? C12I C11I Rh9 62.7(7) . . ? C12I C11I C15I 108.0 . . ? C12I C11I C16I 139.6(11) . . ? C15I C11I Rh9 74.6(5) . . ? C15I C11I C16I 111.9(10) . . ? C16I C11I Rh9 122.8(13) . . ? C11I C12I Rh9 78.8(7) . . ? C11I C12I C17I 115.4(11) . . ? C13I C12I Rh9 67.1(7) . . ? C13I C12I C11I 108.0 . . ? C13I C12I C17I 136.4(11) . . ? C17I C12I Rh9 124.8(16) . . ? C12I C13I Rh9 71.4(5) . . ? C12I C13I C14I 108.0 . . ? C12I C13I C18I 148.1(13) . . ? C14I C13I Rh9 77.1(6) . . ? C14I C13I C18I 103.8(13) . . ? C18I C13I Rh9 119.2(19) . . ? C13I C14I Rh9 63.1(7) . . ? C13I C14I C18I 38.9(7) . . ? C13I C14I C19I 140.0(15) . . ? C15I C14I Rh9 77.6(6) . . ? C15I C14I C13I 108.0 . . ? C15I C14I C18I 146.8(7) . . ? C15I C14I C19I 109.3(13) . . ? C18I C14I Rh9 84.5(9) . . ? C19I C14I Rh9 139.8(19) . . ? C19I C14I C18I 102.5(12) . . ? C11I C15I Rh9 69.1(5) . . ? C11I C15I C19I 143.4(8) . . ? C14I C15I Rh9 65.6(7) . . ? C14I C15I C11I 108.0 . . ? C14I C15I C19I 37.3(7) . . ? C19I C15I Rh9 94.9(8) . . ? C20I C15I Rh9 123.6(16) . . ? C20I C15I C11I 129.9(12) . . ? C20I C15I C14I 121.4(12) . . ? C20I C15I C19I 86.5(9) . . ? C13I C18I C14I 37.3(8) . . ? C14I C19I C15I 33.5(7) . . ? C20I C19I C14I 67.0(10) . . ? C20I C19I C15I 34.7(5) . . ? C15I C20I C19I 58.8(8) . . ? C2J C1J Rh10 68.4(5) . . ? C2J C1J C5J 106.0(8) . . ? C2J C1J C6J 124.1(10) . . ? C5J C1J Rh10 69.2(5) . . ? C5J C1J C6J 129.9(9) . . ? C6J C1J Rh10 126.7(7) . . ? C1J C2J Rh10 73.0(5) . . ? C1J C2J C3J 110.5(9) . . ? C1J C2J C7J 121.6(11) . . ? C3J C2J Rh10 72.1(5) . . ? C3J C2J C7J 127.5(11) . . ? C7J C2J Rh10 127.0(8) . . ? C2J C3J Rh10 68.4(5) . . ? C2J C3J C8J 129.9(13) . . ? C4J C3J Rh10 70.3(5) . . ? C4J C3J C2J 105.1(9) . . ? C4J C3J C8J 124.9(13) . . ? C8J C3J Rh10 126.0(9) . . ? C3J C4J Rh10 71.5(5) . . ? C3J C4J C5J 111.1(9) . . ? C3J C4J C9J 121.9(10) . . ? C5J C4J Rh10 70.7(5) . . ? C5J C4J C9J 127.0(9) . . ? C9J C4J Rh10 125.9(7) . . ? C1J C5J Rh10 71.4(5) . . ? C1J C5J C10J 127.5(10) . . ? C4J C5J Rh10 70.9(5) . . ? C4J C5J C1J 107.1(8) . . ? C4J C5J C10J 124.6(11) . . ? C10J C5J Rh10 130.7(8) . . ? C2K C1K Rh11 72.74(18) . . ? C2K C1K C6K 126.0 . . ? C5K C1K Rh11 71.3(2) . . ? C5K C1K C2K 108.0 . . ? C5K C1K C6K 126.0 . . ? C6K C1K Rh11 121.67(19) . . ? C1K C2K Rh11 69.21(17) . . ? C1K C2K C7K 126.0 . . ? C3K C2K Rh11 72.9(2) . . ? C3K C2K C1K 108.0 . . ? C3K C2K C7K 126.0 . . ? C7K C2K Rh11 123.50(19) . . ? C2K C3K Rh11 69.80(19) . . ? C2K C3K C8K 126.0 . . ? C4K C3K Rh11 70.65(19) . . ? C4K C3K C2K 108.0 . . ? C4K C3K C8K 126.0 . . ? C8K C3K Rh11 125.11(16) . . ? C3K C4K Rh11 72.24(18) . . ? C3K C4K C5K 108.0 . . ? C3K C4K C9K 126.0 . . ? C5K C4K Rh11 69.08(17) . . ? C5K C4K C9K 126.0 . . ? C9K C4K Rh11 124.30(18) . . ? C1K C5K Rh11 70.3(2) . . ? C1K C5K C4K 108.0 . . ? C1K C5K C10K 126.0 . . ? C4K C5K Rh11 73.18(19) . . ? C4K C5K C10K 126.0 . . ? C10K C5K Rh11 122.15(18) . . ? C12K C11K Rh11 70.88(19) . . ? C12K C11K C16K 126.0 . . ? C15K C11K Rh11 69.2(2) . . ? C15K C11K C12K 108.0 . . ? C15K C11K C16K 126.0 . . ? C16K C11K Rh11 125.43(18) . . ? C11K C12K Rh11 71.41(18) . . ? C11K C12K C13K 108.0 . . ? C11K C12K C17K 126.0 . . ? C13K C12K Rh11 68.99(19) . . ? C13K C12K C17K 126.0 . . ? C17K C12K Rh11 125.17(19) . . ? C12K C13K Rh11 72.8(2) . . ? C12K C13K C18K 126.0 . . ? C14K C13K Rh11 69.6(2) . . ? C14K C13K C12K 108.0 . . ? C14K C13K C18K 126.0 . . ? C18K C13K Rh11 123.24(17) . . ? C13K C14K Rh11 71.5(2) . . ? C13K C14K C19K 126.0 . . ? C15K C14K Rh11 71.95(18) . . ? C15K C14K C13K 108.0 . . ? C15K C14K C19K 126.0 . . ? C19K C14K Rh11 122.26(19) . . ? C11K C15K Rh11 72.7(2) . . ? C11K C15K C14K 108.0 . . ? C11K C15K C20K 126.0 . . ? C14K C15K Rh11 69.25(18) . . ? C14K C15K C20K 126.0 . . ? C20K C15K Rh11 123.65(19) . . ? C2L C1L Rh12 70.9(8) . . ? C2L C1L C5L 104.2(18) . . ? C2L C1L C6L 116.6(18) . . ? C5L C1L Rh12 71.0(10) . . ? C5L C1L C6L 138(2) . . ? C6L C1L Rh12 131.8(13) . . ? C1L C2L Rh12 72.2(8) . . ? C1L C2L C3L 106.9(12) . . ? C1L C2L C7L 128.1(19) . . ? C3L C2L Rh12 69.8(6) . . ? C3L C2L C7L 124.9(18) . . ? C7L C2L Rh12 126.9(10) . . ? C2L C3L Rh12 68.1(6) . . ? C2L C3L C8L 130.7(18) . . ? C4L C3L Rh12 72.0(8) . . ? C4L C3L C2L 103.3(14) . . ? C4L C3L C8L 126(2) . . ? C8L C3L Rh12 122.1(11) . . ? C3L C4L Rh12 69.1(7) . . ? C5L C4L Rh12 70.5(11) . . ? C5L C4L C3L 104.5(16) . . ? C5L C4L C9L 139(3) . . ? C9L C4L Rh12 121.1(15) . . ? C9L C4L C3L 116(3) . . ? C1L C5L Rh12 72.1(10) . . ? C1L C5L C10L 108(3) . . ? C4L C5L Rh12 75.9(12) . . ? C4L C5L C1L 121(2) . . ? C4L C5L C10L 131(3) . . ? C10L C5L Rh12 120.8(18) . . ? N1 C1 N4 118.3(5) . . ? N1 C1 C2 120.9(6) . . ? N4 C1 C2 119.7(6) . . ? N2 C2 N3 116.6(5) . . ? N2 C2 C1 121.6(6) . . ? N3 C2 C1 120.7(6) . . ? N2 C3 C4 128.2(7) . . ? N2 C3 C8 108.5(5) . . ? C4 C3 C8 122.9(7) . . ? C5 C4 C3 117.6(9) . . ? C4 C5 C6 119.6(8) . . ? C7 C6 C5 122.5(7) . . ? C8 C7 C6 116.7(8) . . ? N3 C8 C3 108.9(6) . . ? C7 C8 N3 130.6(7) . . ? C7 C8 C3 120.4(6) . . ? N4 C9 C14 106.3(6) . . ? C10 C9 N4 131.0(7) . . ? C10 C9 C14 122.7(7) . . ? C11 C10 C9 118.1(8) . . ? C10 C11 C12 120.5(7) . . ? C13 C12 C11 121.4(7) . . ? C12 C13 C14 119.2(8) . . ? N1 C14 C9 108.8(6) . . ? N1 C14 C13 133.1(7) . . ? C13 C14 C9 118.1(6) . . ? N5 C15 N8 117.4(7) . . ? N5 C15 C16 122.7(7) . . ? N8 C15 C16 119.3(6) . . ? N6 C16 C15 119.1(6) . . ? N7 C16 N6 116.9(6) . . ? N7 C16 C15 122.9(6) . . ? N6 C17 C18 129.7(9) . . ? N6 C17 C22 109.9(7) . . ? C18 C17 C22 120.2(9) . . ? C17 C18 C19 113.8(12) . . ? C20 C19 C18 123.7(12) . . ? C19 C20 C21 125.3(12) . . ? C22 C21 C20 112.1(10) . . ? C17 C22 N7 107.4(7) . . ? C21 C22 N7 127.9(8) . . ? C21 C22 C17 124.6(8) . . ? C24 C23 N8 128.3(13) . . ? C24 C23 C28 126.0(12) . . ? C28 C23 N8 102.0(10) . . ? C23 C24 C25 113.0(17) . . ? C24 C25 C26 132(2) . . ? C27 C26 C25 83(3) . . ? C28 C27 C26 141(2) . . ? N5 C28 C23 112.7(9) . . ? C27 C28 N5 126.6(16) . . ? C27 C28 C23 118.3(18) . . ? N8 C23' C28' 114.0(12) . . ? C24' C23' N8 136.1(11) . . ? C24' C23' C28' 105.7(16) . . ? C25' C24' C23' 125(2) . . ? C24' C25' C26' 116(3) . . ? C27' C26' C25' 126(2) . . ? C28' C27' C26' 112(2) . . ? C23' C28' N5 91.5(16) . . ? C27' C28' N5 139(2) . . ? C27' C28' C23' 129(2) . . ? N9 C29 C30 119.2(5) . . ? N12 C29 N9 117.9(6) . . ? N12 C29 C30 121.9(5) . . ? N10 C30 N11 121.0(6) . . ? N10 C30 C29 120.3(6) . . ? N11 C30 C29 117.5(5) . . ? N10 C31 C36 109.2(6) . . ? C32 C31 N10 131.0(7) . . ? C32 C31 C36 119.8(8) . . ? C33 C32 C31 117.7(8) . . ? C34 C33 C32 121.7(9) . . ? C33 C34 C35 125.2(10) . . ? C36 C35 C34 112.6(8) . . ? N11 C36 C31 106.5(6) . . ? C35 C36 N11 130.6(7) . . ? C35 C36 C31 122.8(7) . . ? N12 C37 C42 107.8(6) . . ? C38 C37 N12 132.7(6) . . ? C38 C37 C42 119.3(7) . . ? C39 C38 C37 119.9(7) . . ? C38 C39 C40 122.9(8) . . ? C41 C40 C39 119.6(8) . . ? C40 C41 C42 117.0(7) . . ? N9 C42 C37 108.8(6) . . ? N9 C42 C41 129.5(6) . . ? C41 C42 C37 121.3(7) . . ? N13 C43 N16 118.3(5) . . ? N13 C43 C44 121.8(6) . . ? N16 C43 C44 119.6(6) . . ? N14 C44 N15 118.2(5) . . ? N14 C44 C43 120.8(5) . . ? N15 C44 C43 120.5(6) . . ? N14 C45 C46 131.7(7) . . ? N14 C45 C50 107.6(5) . . ? C50 C45 C46 120.7(6) . . ? C47 C46 C45 116.3(8) . . ? C46 C47 C48 121.9(8) . . ? C49 C48 C47 119.5(8) . . ? C48 C49 C50 121.3(9) . . ? C45 C50 N15 107.5(5) . . ? C49 C50 N15 132.2(7) . . ? C49 C50 C45 120.1(7) . . ? N16 C51 C56 105.4(5) . . ? C52 C51 N16 132.5(6) . . ? C52 C51 C56 122.1(6) . . ? C53 C52 C51 117.7(7) . . ? C52 C53 C54 121.0(7) . . ? C53 C54 C55 123.0(7) . . ? C54 C55 C56 117.2(7) . . ? N13 C56 C51 108.8(5) . . ? N13 C56 C55 132.2(6) . . ? C55 C56 C51 119.1(5) . . ? N17 C21I N20 121.3(6) . . ? N17 C21I C58 120.4(6) . . ? N20 C21I C58 117.9(6) . . ? N18 C58 C21I 118.8(6) . . ? N19 C58 N18 120.0(6) . . ? N19 C58 C21I 120.7(6) . . ? N18 C59 C60 127.7(8) . . ? N18 C59 C64 108.9(6) . . ? C64 C59 C60 123.5(7) . . ? C59 C60 C61 114.8(9) . . ? C60 C61 C62 120.2(10) . . ? C63 C62 C61 120.7(10) . . ? C62 C63 C64 120.5(11) . . ? N19 C64 C59 108.3(7) . . ? C63 C64 N19 131.5(9) . . ? C63 C64 C59 120.2(8) . . ? N20 C65 C66 131.9(8) . . ? N20 C65 C70 109.5(6) . . ? C66 C65 C70 118.6(7) . . ? C67 C66 C65 118.4(9) . . ? C66 C67 C68 121.7(9) . . ? C69 C68 C67 121.9(9) . . ? C68 C69 C70 115.5(8) . . ? N17 C70 C65 106.9(6) . . ? N17 C70 C69 129.4(7) . . ? C69 C70 C65 123.7(7) . . ? N21 C71 N24 118.4(8) . . ? N21 C71 C72 120.7(7) . . ? N24 C71 C72 120.5(8) . . ? N22 C72 N23 115.6(9) . . ? N22 C72 C71 121.4(8) . . ? N23 C72 C71 122.7(7) . . ? N22 C73 C74 131.6(9) . . ? N22 C73 C78 109.8(8) . . ? C74 C73 C78 118.6(10) . . ? C75 C74 C73 119.2(11) . . ? C74 C75 C76 122.5(13) . . ? C77 C76 C75 119.1(12) . . ? C78 C77 C76 114.1(10) . . ? N23 C78 C73 106.2(8) . . ? C77 C78 N23 127.4(9) . . ? C77 C78 C73 126.4(10) . . ? N24 C79 C80 136.6(8) . . ? N24 C79 C84 106.4(7) . . ? C80 C79 C84 116.9(9) . . ? C81 C80 C79 120.8(10) . . ? C80 C81 C82 123.7(12) . . ? C83 C82 C81 118.1(13) . . ? C82 C83 C84 121.8(11) . . ? N21 C84 C79 106.7(8) . . ? N21 C84 C83 134.8(8) . . ? C83 C84 C79 118.4(9) . . ? N25 C85 C86 124.6(6) . . ? C85 C86 C87 118.7(6) . . ? C86 C87 C90 120.0(5) . . ? C88 C87 C86 117.6(6) . . ? C88 C87 C90 122.4(6) . . ? C87 C88 C89 119.5(6) . . ? N25 C89 C88 121.8(6) . . ? N26 C90 C87 117.3(5) . . ? O1 C90 N26 123.4(6) . . ? O1 C90 C87 119.3(6) . . ? N26 C91 C92 112.2(5) . . ? C93 C92 C91 121.2(6) . . ? C97 C92 C91 120.6(6) . . ? C97 C92 C93 118.2(7) . . ? C94 C93 C92 121.2(7) . . ? C93 C94 C95 120.9(7) . . ? C94 C95 C98 120.1(7) . . ? C96 C95 C94 117.7(8) . . ? C96 C95 C98 122.2(7) . . ? C95 C96 C97 121.6(7) . . ? C92 C97 C96 120.4(7) . . ? N27 C98 C95 112.1(7) . . ? N27 C99 C102 116.4(7) . . ? O2 C99 N27 123.4(8) . . ? O2 C99 C102 120.1(8) . . ? N28 C100 C101 121.7(8) . . ? C102 C101 C100 120.9(7) . . ? C101 C102 C99 118.0(7) . . ? C101 C102 C103 116.6(7) . . ? C103 C102 C99 125.4(7) . . ? C104 C103 C102 119.6(8) . . ? N28 C104 C103 123.6(7) . . ? N29 C105 C106 124.2(7) . . ? C105 C106 C107 118.5(6) . . ? C106 C107 C110 123.4(6) . . ? C108 C107 C106 117.3(6) . . ? C108 C107 C110 119.1(6) . . ? C107 C108 C109 120.1(7) . . ? N29 C109 C108 121.8(6) . . ? N30 C110 C107 117.1(6) . . ? O3 C110 N30 123.1(7) . . ? O3 C110 C107 119.7(6) . . ? C112 C111 N30 113.1(6) . . ? C113 C112 C111 123.0(6) . . ? C117 C112 C111 120.9(6) . . ? C117 C112 C113 116.0(6) . . ? C114 C113 C112 121.6(6) . . ? C113 C114 C115 122.3(7) . . ? C114 C115 C118 121.0(7) . . ? C116 C115 C114 117.4(7) . . ? C116 C115 C118 121.6(6) . . ? C115 C116 C117 119.9(6) . . ? C112 C117 C116 122.8(7) . . ? N31 C118 C115 114.0(6) . . ? N31 C119 C122 116.9(7) . . ? O4 C119 N31 122.8(7) . . ? O4 C119 C122 120.2(7) . . ? C121 C120 N32 123.0(7) . . ? C120 C121 C122 118.4(7) . . ? C121 C122 C119 117.1(7) . . ? C123 C122 C119 123.8(7) . . ? C123 C122 C121 119.1(7) . . ? C122 C123 C124 119.9(7) . . ? N32 C124 C123 122.1(7) . . ? N33 C125 C126 122.0(7) . . ? C127 C126 C125 119.1(6) . . ? C126 C127 C128 119.8(6) . . ? C126 C127 C130 119.1(6) . . ? C128 C127 C130 121.1(6) . . ? C129 C128 C127 117.3(7) . . ? N33 C129 C128 122.3(6) . . ? N34 C130 C127 116.3(6) . . ? O5 C130 N34 124.1(6) . . ? O5 C130 C127 119.6(6) . . ? C132 C131 N34 114.5(6) . . ? C131 C132 C133 121.0(7) . . ? C137 C132 C131 124.2(6) . . ? C137 C132 C133 114.8(7) . . ? C134 C133 C132 121.0(7) . . ? C133 C134 C135 122.6(7) . . ? C134 C135 C136 116.8(8) . . ? C134 C135 C138 122.4(7) . . ? C136 C135 C138 120.8(8) . . ? C137 C136 C135 120.4(8) . . ? C136 C137 C132 124.1(7) . . ? N35 C138 C135 112.3(7) . . ? N35 C139 C142 119.5(8) . . ? O6 C139 N35 121.1(8) . . ? O6 C139 C142 119.4(7) . . ? N36 C140 C141 123.7(7) . . ? C140 C141 C142 119.1(8) . . ? C141 C142 C139 119.0(7) . . ? C143 C142 C139 125.9(7) . . ? C143 C142 C141 115.1(8) . . ? C142 C143 C144 121.8(7) . . ? N36 C144 C143 121.7(7) . . ? N37 C145 C146 122.7(6) . . ? C147 C146 C145 118.8(7) . . ? C146 C147 C148 119.7(7) . . ? C146 C147 C150 116.5(7) . . ? C148 C147 C150 123.6(6) . . ? C147 C148 C149 118.3(6) . . ? N37 C149 C148 121.0(7) . . ? N38 C150 C147 118.7(7) . . ? O7 C150 N38 120.6(8) . . ? O7 C150 C147 120.6(6) . . ? N38 C151 C152 114.3(6) . . ? C153 C152 C151 121.0(7) . . ? C157 C152 C151 123.4(8) . . ? C157 C152 C153 115.7(8) . . ? C154 C153 C152 122.6(7) . . ? C155 C154 C153 120.2(8) . . ? C154 C155 C156 118.6(8) . . ? C154 C155 C158 121.2(7) . . ? C156 C155 C158 120.2(6) . . ? C155 C156 C157 121.8(7) . . ? C152 C157 C156 121.0(8) . . ? N39 C158 C155 111.5(6) . . ? N39 C159 C162 116.4(5) . . ? O8 C159 N39 124.1(6) . . ? O8 C159 C162 119.4(6) . . ? N40 C160 C161 124.3(6) . . ? C162 C161 C160 117.6(6) . . ? C161 C162 C159 119.5(5) . . ? C163 C162 C159 121.5(6) . . ? C163 C162 C161 119.0(6) . . ? C162 C163 C164 119.7(7) . . ? N40 C164 C163 121.6(6) . . ? C166 C165 N41 121.3(7) . . ? C165 C166 C167 119.4(7) . . ? C166 C167 C170 116.9(6) . . ? C168 C167 C166 118.7(7) . . ? C168 C167 C170 124.2(7) . . ? C167 C168 C169 119.5(7) . . ? N41 C169 C168 122.3(7) . . ? N42 C170 C167 117.4(6) . . ? O9 C170 N42 123.4(7) . . ? O9 C170 C167 119.2(6) . . ? N42 C171 C172 113.2(7) . . ? C173 C172 C171 122.2(6) . . ? C173 C172 C177 117.9(7) . . ? C177 C172 C171 119.9(7) . . ? C172 C173 C174 121.8(6) . . ? C173 C174 C175 119.4(7) . . ? C174 C175 C178 118.5(6) . . ? C176 C175 C174 117.9(6) . . ? C176 C175 C178 123.6(5) . . ? C177 C176 C175 120.9(6) . . ? C176 C177 C172 122.0(7) . . ? N43 C178 C175 111.5(5) . . ? N43 C179 C182 116.0(6) . . ? O10 C179 N43 123.6(6) . . ? O10 C179 C182 120.2(6) . . ? N44 C180 C181 120.9(7) . . ? C182 C181 C180 120.4(7) . . ? C181 C182 C179 120.3(6) . . ? C183 C182 C179 121.8(7) . . ? C183 C182 C181 117.7(6) . . ? C182 C183 C184 118.8(7) . . ? N44 C184 C183 123.3(8) . . ? C186 C185 N45 123.0(10) . . ? C185 C186 C187 118.7(9) . . ? C186 C187 C190 116.1(8) . . ? C188 C187 C186 120.9(9) . . ? C188 C187 C190 122.9(9) . . ? C187 C188 C189 116.8(10) . . ? N45 C189 C188 124.3(9) . . ? N46 C190 C187 117.2(7) . . ? O11 C190 N46 124.3(8) . . ? O11 C190 C187 118.4(8) . . ? N46 C191 C192 113.7(6) . . ? C193 C192 C191 119.9(7) . . ? C193 C192 C197 119.0(7) . . ? C197 C192 C191 120.9(6) . . ? C192 C193 C194 119.4(7) . . ? C195 C194 C193 119.9(6) . . ? C194 C195 C196 118.0(6) . . ? C194 C195 C198 119.0(5) . . ? C196 C195 C198 123.0(6) . . ? C197 C196 C195 121.0(6) . . ? C196 C197 C192 122.5(6) . . ? N47 C198 C195 111.4(6) . . ? N47 C199 C202 116.7(5) . . ? O12 C199 N47 124.4(6) . . ? O12 C199 C202 118.6(5) . . ? N48 C200 C201 122.6(5) . . ? C200 C201 C202 120.1(6) . . ? C201 C202 C199 121.0(6) . . ? C201 C202 C203 117.1(6) . . ? C203 C202 C199 121.8(5) . . ? C202 C203 C204 120.2(5) . . ? N48 C204 C203 121.7(6) . . ? O13 S1 O15 112.5(11) . . ? O13 S1 C325 103.5(9) . . ? O14 S1 O13 109.9(9) . . ? O14 S1 O15 121.7(9) . . ? O14 S1 C325 102.9(9) . . ? O15 S1 C325 104.0(8) . . ? O16 S2 C326 102.9(5) . . ? O17 S2 O16 115.4(4) . . ? O17 S2 C326 97.7(4) . . ? O18 S2 O16 118.1(5) . . ? O18 S2 O17 114.3(5) . . ? O18 S2 C326 104.5(4) . . ? O19 S3 O21 117.7(5) . . ? O19 S3 C327 105.0(5) . . ? O20 S3 O19 113.1(5) . . ? O20 S3 O21 110.2(7) . . ? O20 S3 C327 103.5(6) . . ? O21 S3 C327 105.9(6) . . ? O22 S4 O23 112.7(5) . . ? O22 S4 C328 103.6(4) . . ? O23 S4 C328 100.7(6) . . ? O24 S4 O22 127.2(7) . . ? O24 S4 O23 107.7(8) . . ? O24 S4 C328 100.7(7) . . ? O25 S5 C329 100.9(5) . . ? O26 S5 O25 116.7(7) . . ? O26 S5 C329 99.2(7) . . ? O27 S5 O25 119.0(6) . . ? O27 S5 O26 112.6(7) . . ? O27 S5 C329 104.5(5) . . ? O28 S6 C330 104.3(5) . . ? O29 S6 O28 113.5(7) . . ? O29 S6 C330 104.0(5) . . ? O30 S6 O28 125.1(8) . . ? O30 S6 O29 105.9(9) . . ? O30 S6 C330 101.4(7) . . ? O31 S7 O32 117.1(6) . . ? O31 S7 C331 101.9(7) . . ? O32 S7 C331 103.2(8) . . ? O33 S7 O31 116.7(5) . . ? O33 S7 O32 113.8(6) . . ? O33 S7 C331 100.7(7) . . ? O34 S8 C332 102.1(7) . . ? O34 S8 O35 110.7(8) . . ? O34 S8 O36 118.5(8) . . ? O35 S8 C332 102.8(10) . . ? O36 S8 C332 103.5(9) . . ? O36 S8 O35 116.4(10) . . ? F1 C325 S1 112.0(14) . . ? F1 C325 F2 115.7(19) . . ? F1 C325 F3 127(3) . . ? F2 C325 S1 116.0(14) . . ? F2 C325 F3 80.1(18) . . ? F3 C325 S1 102.2(18) . . ? F4 C326 S2 119.6(7) . . ? F4 C326 F5 106.8(9) . . ? F4 C326 F6 110.6(8) . . ? F5 C326 S2 109.0(6) . . ? F6 C326 S2 109.8(7) . . ? F6 C326 F5 98.9(8) . . ? F7 C327 S3 112.9(8) . . ? F8 C327 S3 115.4(9) . . ? F8 C327 F7 103.4(10) . . ? F8 C327 F9 103.7(10) . . ? F9 C327 S3 110.9(9) . . ? F9 C327 F7 110.0(11) . . ? F10 C328 S4 111.8(7) . . ? F10 C328 F11 107.0(10) . . ? F10 C328 F12 105.5(12) . . ? F11 C328 S4 109.1(8) . . ? F12 C328 S4 114.5(9) . . ? F12 C328 F11 108.7(8) . . ? F13 C329 S5 117.0(7) . . ? F13 C329 F14 106.1(10) . . ? F13 C329 F15 103.8(9) . . ? F14 C329 S5 110.4(8) . . ? F14 C329 F15 109.9(8) . . ? F15 C329 S5 109.3(8) . . ? F16 C330 S6 112.7(8) . . ? F16 C330 F17 102.7(10) . . ? F16 C330 F18 107.1(9) . . ? F17 C330 S6 111.5(7) . . ? F17 C330 F18 105.4(10) . . ? F18 C330 S6 116.3(8) . . ? F19 C331 S7 112.3(13) . . ? F19 C331 F20 111.5(14) . . ? F19 C331 F21 105.8(17) . . ? F20 C331 S7 102.9(15) . . ? F21 C331 S7 109.8(12) . . ? F21 C331 F20 114.6(15) . . ? F22 C332 S8 108.1(16) . . ? F22 C332 F23 109.3(14) . . ? F23 C332 S8 110.1(13) . . ? F24 C332 S8 113.0(11) . . ? F24 C332 F22 106.0(15) . . ? F24 C332 F23 110.2(19) . . ? F22' C432 F23' 92.5(16) . . ? F24' C432 F22' 120.0(17) . . ? F24' C432 F23' 146(2) . . ? C325 F2 F3 50.5(14) . . ? C325 F3 F2 49.4(12) . . ? O34' S8' O35' 113.6(13) . . ? O36' S8' O34' 112(2) . . ? O36' S8' O35' 123.7(17) . . ? C340 O55 K2 116.1(8) . . ? C339 O56 K2 111.7(8) . . ? loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Rh1 N1 2.199(6) . ? Rh1 N2 2.170(5) . ? Rh1 N36 2.134(7) . ? Rh1 C1A 2.151(7) . ? Rh1 C2A 2.156(9) . ? Rh1 C3A 2.126(9) . ? Rh1 C4A 2.128(9) . ? Rh1 C5A 2.133(8) . ? Rh2 N3 2.160(5) . ? Rh2 N4 2.168(6) . ? Rh2 N25 2.136(5) . ? Rh2 C1B 2.164(8) . ? Rh2 C2B 2.142(8) . ? Rh2 C3B 2.161(6) . ? Rh2 C4B 2.121(6) . ? Rh2 C5B 2.188(8) . ? Rh3 N5 2.141(7) . ? Rh3 N6 2.162(7) . ? Rh3 N28 2.123(6) . ? Rh3 C1C 2.120(10) . ? Rh3 C2C 2.159(9) . ? Rh3 C3C 2.106(11) . ? Rh3 C4C 2.165(12) . ? Rh3 C5C 2.162(10) . ? Rh4 N7 2.167(6) . ? Rh4 N8 2.160(6) . ? Rh4 N29 2.147(6) . ? Rh4 C1D 2.154(8) . ? Rh4 C2D 2.123(9) . ? Rh4 C3D 2.112(8) . ? Rh4 C4D 2.141(8) . ? Rh4 C5D 2.098(9) . ? Rh5 N9 2.123(5) . ? Rh5 N10 2.177(7) . ? Rh5 N32 2.117(5) . ? Rh5 C1E 2.145(8) . ? Rh5 C2E 2.134(7) . ? Rh5 C3E 2.140(9) . ? Rh5 C4E 2.174(10) . ? Rh5 C5E 2.128(9) . ? Rh6 N11 2.161(5) . ? Rh6 N12 2.175(5) . ? Rh6 N33 2.147(5) . ? Rh6 C1F 2.148(7) . ? Rh6 C2F 2.115(7) . ? Rh6 C3F 2.154(8) . ? Rh6 C4F 2.146(8) . ? Rh6 C5F 2.127(7) . ? Rh7 N13 2.198(5) . ? Rh7 N14 2.172(5) . ? Rh7 N48 2.138(5) . ? Rh7 C1G 2.158(7) . ? Rh7 C2G 2.144(7) . ? Rh7 C3G 2.135(6) . ? Rh7 C4G 2.171(7) . ? Rh7 C5G 2.142(7) . ? Rh8 N15 2.175(6) . ? Rh8 N16 2.144(5) . ? Rh8 N37 2.149(6) . ? Rh8 C1H 2.184(8) . ? Rh8 C2H 2.133(7) . ? Rh8 C3H 2.150(8) . ? Rh8 C4H 2.144(9) . ? Rh8 C5H 2.157(8) . ? Rh9 N17 2.144(5) . ? Rh9 N18 2.173(6) . ? Rh9 N40 2.154(5) . ? Rh9 C1I 2.181(9) . ? Rh9 C2I 2.136(10) . ? Rh9 C3I 2.193(9) . ? Rh9 C4I 2.143(8) . ? Rh9 C5I 2.159(8) . ? Rh9 C11I 2.215(13) . ? Rh9 C12I 2.007(19) . ? Rh9 C13I 1.95(3) . ? Rh9 C14I 2.13(2) . ? Rh10 N19 2.167(7) . ? Rh10 N20 2.159(6) . ? Rh10 N41 2.118(5) . ? Rh10 C1J 2.181(9) . ? Rh10 C2J 2.120(9) . ? Rh10 C3J 2.169(8) . ? Rh10 C4J 2.153(8) . ? Rh10 C5J 2.150(8) . ? Rh11 N21 2.160(6) . ? Rh11 N22 2.153(7) . ? Rh11 N44 2.144(6) . ? Rh11 C1K 2.132(4) . ? Rh11 C2K 2.177(5) . ? Rh11 C4K 2.197(7) . ? Rh11 C5K 2.144(6) . ? Rh11 C11K 2.177(4) . ? Rh11 C12K 2.171(5) . ? Rh11 C13K 2.121(6) . ? Rh11 C14K 2.097(7) . ? Rh11 C15K 2.132(6) . ? Rh12 N23 2.186(7) . ? Rh12 N24 2.207(7) . ? Rh12 N45 2.095(8) . ? Rh12 C1L 2.121(14) . ? Rh12 C2L 2.106(10) . ? Rh12 C3L 2.131(11) . ? Rh12 C4L 2.169(13) . ? Rh12 C5L 2.108(18) . ? K1 O1 2.648(5) . ? K1 O3 2.657(5) . ? K1 O5 2.658(5) . ? K1 O8 2.677(5) . ? K1 O10 2.716(5) . ? K1 O12 2.706(5) . ? K2 O2 2.595(7) . ? K2 O4 2.642(6) . ? K2 O6 2.581(7) . ? K2 O13 2.957(16) . ? K2 O55 2.798(9) . ? K2 O56 2.758(10) . ? N1 C1 1.323(9) . ? N1 C14 1.343(9) . ? N2 C2 1.345(8) . ? N2 C3 1.374(8) . ? N3 C2 1.347(9) . ? N3 C8 1.384(8) . ? N4 C1 1.328(8) . ? N4 C9 1.393(9) . ? N5 C15 1.323(10) . ? N5 C28 1.38(2) . ? N5 C28' 1.65(3) . ? N6 C16 1.366(9) . ? N6 C17 1.381(10) . ? N7 C16 1.336(9) . ? N7 C22 1.419(10) . ? N8 C15 1.337(10) . ? N8 C23 1.448(12) . ? N8 C23' 1.448(12) . ? N9 C29 1.343(8) . ? N9 C42 1.392(10) . ? N10 C30 1.284(8) . ? N10 C31 1.426(11) . ? N11 C30 1.357(8) . ? N11 C36 1.407(9) . ? N12 C29 1.337(7) . ? N12 C37 1.388(9) . ? N13 C43 1.303(8) . ? N13 C56 1.359(7) . ? N14 C44 1.307(8) . ? N14 C45 1.371(8) . ? N15 C44 1.312(8) . ? N15 C50 1.414(9) . ? N16 C43 1.309(8) . ? N16 C51 1.398(7) . ? N17 C21I 1.303(9) . ? N17 C70 1.385(9) . ? N18 C58 1.331(9) . ? N18 C59 1.394(10) . ? N19 C58 1.312(10) . ? N19 C64 1.389(10) . ? N20 C21I 1.327(9) . ? N20 C65 1.375(9) . ? N21 C71 1.283(10) . ? N21 C84 1.384(12) . ? N22 C72 1.324(10) . ? N22 C73 1.396(14) . ? N23 C72 1.360(11) . ? N23 C78 1.405(13) . ? N24 C71 1.348(10) . ? N24 C79 1.365(13) . ? N25 C85 1.299(8) . ? N25 C89 1.345(9) . ? N26 C90 1.324(9) . ? N26 C91 1.462(8) . ? N27 C98 1.456(11) . ? N27 C99 1.384(12) . ? N28 C100 1.346(9) . ? N28 C104 1.365(11) . ? N29 C105 1.313(8) . ? N29 C109 1.339(10) . ? N30 C110 1.334(9) . ? N30 C111 1.506(9) . ? N31 C118 1.458(10) . ? N31 C119 1.335(11) . ? N32 C120 1.381(10) . ? N32 C124 1.332(9) . ? N33 C125 1.323(9) . ? N33 C129 1.356(9) . ? N34 C130 1.335(10) . ? N34 C131 1.494(9) . ? N35 C138 1.466(12) . ? N35 C139 1.336(11) . ? N36 C140 1.337(10) . ? N36 C144 1.299(9) . ? N37 C145 1.312(10) . ? N37 C149 1.348(8) . ? N38 C150 1.336(9) . ? N38 C151 1.444(12) . ? N39 C158 1.468(8) . ? N39 C159 1.326(9) . ? N40 C160 1.313(8) . ? N40 C164 1.348(9) . ? N41 C165 1.376(9) . ? N41 C169 1.310(10) . ? N42 C170 1.304(10) . ? N42 C171 1.470(10) . ? N43 C178 1.487(8) . ? N43 C179 1.347(10) . ? N44 C180 1.330(10) . ? N44 C184 1.332(11) . ? N45 C185 1.375(13) . ? N45 C189 1.301(14) . ? N46 C190 1.324(12) . ? N46 C191 1.438(11) . ? N47 C198 1.464(8) . ? N47 C199 1.329(8) . ? N48 C200 1.366(9) . ? N48 C204 1.322(8) . ? O1 C90 1.215(8) . ? O2 C99 1.215(11) . ? O3 C110 1.241(9) . ? O4 C119 1.247(10) . ? O5 C130 1.250(9) . ? O6 C139 1.270(11) . ? O7 C150 1.228(9) . ? O8 C159 1.228(8) . ? O9 C170 1.226(9) . ? O10 C179 1.253(8) . ? O11 C190 1.223(11) . ? O12 C199 1.248(8) . ? O13 S1 1.408(13) . ? O14 S1 1.330(12) . ? O15 S1 1.421(10) . ? O16 S2 1.447(8) . ? O17 S2 1.423(6) . ? O18 S2 1.422(8) . ? O19 S3 1.412(7) . ? O20 S3 1.391(8) . ? O21 S3 1.432(9) . ? O22 S4 1.417(6) . ? O23 S4 1.473(9) . ? O24 S4 1.349(9) . ? C1A C2A 1.389(13) . ? C1A C5A 1.448(14) . ? C1A C6A 1.531(12) . ? C2A C3A 1.423(13) . ? C2A C7A 1.523(16) . ? C3A C4A 1.402(18) . ? C3A C8A 1.518(17) . ? C4A C5A 1.440(13) . ? C4A C9A 1.506(17) . ? C5A C10A 1.457(18) . ? C1B C2B 1.454(12) . ? C1B C5B 1.412(12) . ? C1B C6B 1.514(13) . ? C2B C3B 1.388(12) . ? C2B C7B 1.483(13) . ? C3B C4B 1.431(10) . ? C3B C8B 1.497(14) . ? C4B C5B 1.442(10) . ? C4B C9B 1.502(12) . ? C5B C10B 1.426(13) . ? C1C C2C 1.46(2) . ? C1C C5C 1.335(16) . ? C1C C6C 1.51(3) . ? C2C C3C 1.278(19) . ? C2C C7C 1.46(3) . ? C3C C4C 1.364(15) . ? C3C C8C 1.56(2) . ? C4C C5C 1.597(19) . ? C4C C9C 1.42(2) . ? C5C C10C 1.506(18) . ? C1D C2D 1.390(16) . ? C1D C5D 1.437(14) . ? C1D C6D 1.494(13) . ? C2D C3D 1.375(13) . ? C2D C7D 1.505(19) . ? C3D C4D 1.459(14) . ? C3D C8D 1.504(13) . ? C4D C5D 1.373(13) . ? C4D C9D 1.534(15) . ? C5D C10D 1.492(18) . ? C1E C2E 1.388(12) . ? C1E C5E 1.456(16) . ? C1E C6E 1.502(17) . ? C2E C3E 1.403(15) . ? C2E C7E 1.511(12) . ? C3E C4E 1.417(15) . ? C3E C8E 1.54(2) . ? C4E C5E 1.47(2) . ? C4E C9E 1.498(18) . ? C5E C10E 1.441(18) . ? C1F C2F 1.487(12) . ? C1F C5F 1.355(11) . ? C1F C6F 1.516(13) . ? C2F C3F 1.407(11) . ? C2F C7F 1.495(11) . ? C3F C4F 1.430(13) . ? C3F C8F 1.513(14) . ? C4F C5F 1.459(14) . ? C4F C9F 1.482(14) . ? C5F C10F 1.543(15) . ? C1G C2G 1.416(11) . ? C1G C5G 1.428(12) . ? C1G C6G 1.488(14) . ? C2G C3G 1.465(12) . ? C2G C7G 1.484(14) . ? C3G C4G 1.393(11) . ? C3G C8G 1.486(10) . ? C4G C5G 1.463(13) . ? C4G C9G 1.489(14) . ? C5G C10G 1.512(11) . ? C1H C2H 1.436(13) . ? C1H C5H 1.403(12) . ? C1H C6H 1.452(13) . ? C2H C3H 1.508(11) . ? C2H C7H 1.469(15) . ? C3H C4H 1.426(16) . ? C3H C8H 1.455(17) . ? C4H C5H 1.382(12) . ? C4H C9H 1.462(13) . ? C5H C10H 1.538(15) . ? C1I C2I 1.395(12) . ? C1I C5I 1.416(14) . ? C1I C6I 1.467(15) . ? C2I C3I 1.391(14) . ? C2I C7I 1.567(17) . ? C3I C4I 1.423(15) . ? C3I C8I 1.540(16) . ? C4I C5I 1.519(14) . ? C4I C9I 1.459(18) . ? C5I C10I 1.468(19) . ? C11I C12I 1.403(7) . ? C11I C15I 1.403(7) . ? C11I C16I 1.500(16) . ? C12I C13I 1.403(7) . ? C12I C17I 1.451(15) . ? C13I C14I 1.403(7) . ? C13I C18I 1.453(17) . ? C14I C15I 1.403(7) . ? C14I C18I 2.25(3) . ? C14I C19I 1.541(16) . ? C15I C19I 2.40(2) . ? C15I C20I 1.598(16) . ? C19I C20I 2.80(2) . ? C1J C2J 1.422(13) . ? C1J C5J 1.461(15) . ? C1J C6J 1.482(16) . ? C2J C3J 1.448(17) . ? C2J C7J 1.59(2) . ? C3J C4J 1.413(15) . ? C3J C8J 1.483(18) . ? C4J C5J 1.416(13) . ? C4J C9J 1.507(16) . ? C5J C10J 1.473(16) . ? C1K C2K 1.405(3) . ? C1K C5K 1.405(3) . ? C1K C6K 1.493(3) . ? C2K C3K 1.405(3) . ? C2K C7K 1.494(3) . ? C3K C4K 1.405(3) . ? C3K C8K 1.493(3) . ? C4K C5K 1.405(3) . ? C4K C9K 1.494(3) . ? C5K C10K 1.494(3) . ? C11K C12K 1.405(3) . ? C11K C15K 1.405(3) . ? C11K C16K 1.493(3) . ? C12K C13K 1.405(3) . ? C12K C17K 1.493(3) . ? C13K C14K 1.405(3) . ? C13K C18K 1.493(3) . ? C14K C15K 1.405(3) . ? C14K C19K 1.493(3) . ? C15K C20K 1.493(3) . ? C1L C2L 1.34(2) . ? C1L C5L 1.34(3) . ? C1L C6L 1.46(3) . ? C2L C3L 1.52(2) . ? C2L C7L 1.59(3) . ? C3L C4L 1.43(2) . ? C3L C8L 1.60(3) . ? C4L C5L 1.24(3) . ? C4L C9L 1.41(3) . ? C5L C10L 1.42(4) . ? C1 C2 1.393(8) . ? C3 C4 1.384(10) . ? C3 C8 1.406(10) . ? C4 C5 1.360(14) . ? C5 C6 1.436(15) . ? C6 C7 1.388(12) . ? C7 C8 1.375(10) . ? C9 C10 1.374(10) . ? C9 C14 1.453(11) . ? C10 C11 1.357(13) . ? C11 C12 1.476(13) . ? C12 C13 1.336(11) . ? C13 C14 1.416(11) . ? C15 C16 1.376(10) . ? C17 C18 1.405(14) . ? C17 C22 1.409(12) . ? C18 C19 1.457(19) . ? C19 C20 1.27(2) . ? C20 C21 1.438(18) . ? C21 C22 1.391(13) . ? C23 C24 1.29(2) . ? C23 C28 1.41(2) . ? C24 C25 1.48(3) . ? C25 C26 1.96(6) . ? C26 C27 1.65(6) . ? C27 C28 1.37(2) . ? C23' C24' 1.39(3) . ? C23' C28' 1.60(3) . ? C24' C25' 1.31(4) . ? C25' C26' 1.42(4) . ? C26' C27' 1.28(3) . ? C27' C28' 1.24(4) . ? C29 C30 1.435(9) . ? C31 C32 1.407(12) . ? C31 C36 1.429(10) . ? C32 C33 1.362(16) . ? C33 C34 1.349(15) . ? C34 C35 1.426(13) . ? C35 C36 1.402(12) . ? C37 C38 1.384(11) . ? C37 C42 1.424(9) . ? C38 C39 1.322(14) . ? C39 C40 1.432(14) . ? C40 C41 1.392(12) . ? C41 C42 1.417(12) . ? C43 C44 1.431(8) . ? C45 C46 1.417(9) . ? C45 C50 1.408(10) . ? C46 C47 1.389(12) . ? C47 C48 1.412(16) . ? C48 C49 1.348(13) . ? C49 C50 1.354(10) . ? C51 C52 1.385(9) . ? C51 C56 1.433(8) . ? C52 C53 1.380(11) . ? C53 C54 1.385(12) . ? C54 C55 1.390(10) . ? C55 C56 1.404(9) . ? C21I C58 1.436(9) . ? C59 C60 1.407(12) . ? C59 C64 1.404(12) . ? C60 C61 1.426(14) . ? C61 C62 1.470(19) . ? C62 C63 1.335(17) . ? C63 C64 1.372(13) . ? C65 C66 1.389(11) . ? C65 C70 1.429(11) . ? C66 C67 1.379(14) . ? C67 C68 1.425(16) . ? C68 C69 1.370(13) . ? C69 C70 1.408(11) . ? C71 C72 1.381(14) . ? C73 C74 1.405(15) . ? C73 C78 1.406(13) . ? C74 C75 1.334(17) . ? C75 C76 1.50(2) . ? C76 C77 1.43(2) . ? C77 C78 1.401(16) . ? C79 C80 1.428(15) . ? C79 C84 1.475(12) . ? C80 C81 1.305(18) . ? C81 C82 1.418(18) . ? C82 C83 1.363(19) . ? C83 C84 1.399(16) . ? C85 C86 1.376(9) . ? C86 C87 1.382(9) . ? C87 C88 1.380(9) . ? C87 C90 1.500(9) . ? C88 C89 1.391(9) . ? C91 C92 1.520(11) . ? C92 C93 1.401(11) . ? C92 C97 1.379(10) . ? C93 C94 1.366(12) . ? C94 C95 1.408(11) . ? C95 C96 1.374(11) . ? C95 C98 1.540(12) . ? C96 C97 1.397(12) . ? C99 C102 1.483(12) . ? C100 C101 1.398(11) . ? C101 C102 1.392(11) . ? C102 C103 1.409(11) . ? C103 C104 1.367(12) . ? C105 C106 1.375(10) . ? C106 C107 1.420(10) . ? C107 C108 1.359(9) . ? C107 C110 1.490(10) . ? C108 C109 1.406(11) . ? C111 C112 1.444(10) . ? C112 C113 1.419(10) . ? C112 C117 1.377(9) . ? C113 C114 1.324(11) . ? C114 C115 1.417(10) . ? C115 C116 1.369(10) . ? C115 C118 1.481(10) . ? C116 C117 1.397(10) . ? C119 C122 1.505(10) . ? C120 C121 1.339(11) . ? C121 C122 1.399(11) . ? C122 C123 1.363(11) . ? C123 C124 1.371(10) . ? C125 C126 1.392(10) . ? C126 C127 1.362(11) . ? C127 C128 1.415(10) . ? C127 C130 1.513(9) . ? C128 C129 1.379(10) . ? C131 C132 1.443(12) . ? C132 C133 1.452(10) . ? C132 C137 1.387(11) . ? C133 C134 1.333(12) . ? C134 C135 1.387(12) . ? C135 C136 1.425(11) . ? C135 C138 1.537(13) . ? C136 C137 1.328(12) . ? C139 C142 1.447(13) . ? C140 C141 1.343(13) . ? C141 C142 1.441(11) . ? C142 C143 1.356(11) . ? C143 C144 1.393(12) . ? C145 C146 1.398(11) . ? C146 C147 1.363(9) . ? C147 C148 1.381(11) . ? C147 C150 1.528(11) . ? C148 C149 1.414(12) . ? C151 C152 1.501(14) . ? C152 C153 1.428(12) . ? C152 C157 1.375(11) . ? C153 C154 1.372(14) . ? C154 C155 1.367(11) . ? C155 C156 1.376(11) . ? C155 C158 1.537(12) . ? C156 C157 1.395(13) . ? C159 C162 1.521(8) . ? C160 C161 1.397(9) . ? C161 C162 1.372(10) . ? C162 C163 1.369(9) . ? C163 C164 1.386(9) . ? C165 C166 1.371(10) . ? C166 C167 1.379(11) . ? C167 C168 1.369(10) . ? C167 C170 1.527(10) . ? C168 C169 1.388(11) . ? C171 C172 1.534(11) . ? C172 C173 1.375(11) . ? C172 C177 1.392(9) . ? C173 C174 1.401(12) . ? C174 C175 1.420(9) . ? C175 C176 1.396(10) . ? C175 C178 1.496(10) . ? C176 C177 1.370(10) . ? C179 C182 1.495(9) . ? C180 C181 1.400(10) . ? C181 C182 1.391(11) . ? C182 C183 1.373(10) . ? C183 C184 1.391(11) . ? C185 C186 1.369(13) . ? C186 C187 1.367(14) . ? C187 C188 1.343(14) . ? C187 C190 1.538(12) . ? C188 C189 1.437(14) . ? C191 C192 1.534(11) . ? C192 C193 1.352(10) . ? C192 C197 1.391(10) . ? C193 C194 1.424(11) . ? C194 C195 1.381(10) . ? C195 C196 1.404(8) . ? C195 C198 1.502(10) . ? C196 C197 1.305(10) . ? C199 C202 1.511(8) . ? C200 C201 1.372(10) . ? C201 C202 1.378(8) . ? C202 C203 1.396(9) . ? C203 C204 1.398(10) . ? O25 S5 1.434(9) . ? O26 S5 1.430(10) . ? O27 S5 1.396(9) . ? O28 S6 1.397(9) . ? O29 S6 1.368(9) . ? O30 S6 1.343(11) . ? O31 S7 1.416(9) . ? O32 S7 1.438(11) . ? O33 S7 1.394(8) . ? S1 C325 1.82(2) . ? S2 C326 1.811(10) . ? S3 C327 1.802(13) . ? S4 C328 1.836(12) . ? S5 C329 1.736(11) . ? S6 C330 1.800(10) . ? S7 C331 1.90(2) . ? S8 C332 1.844(18) . ? S8 O34 1.400(9) . ? S8 O35 1.464(16) . ? S8 O36 1.421(15) . ? C325 F1 1.247(18) . ? C325 F2 1.25(2) . ? C325 F3 1.27(3) . ? C326 F4 1.223(10) . ? C326 F5 1.394(11) . ? C326 F6 1.347(13) . ? C327 F7 1.404(15) . ? C327 F8 1.246(13) . ? C327 F9 1.334(15) . ? C328 F10 1.260(15) . ? C328 F11 1.334(12) . ? C328 F12 1.304(11) . ? C329 F13 1.293(13) . ? C329 F14 1.352(14) . ? C329 F15 1.389(12) . ? C330 F16 1.292(15) . ? C330 F17 1.318(13) . ? C330 F18 1.323(12) . ? C331 F19 1.258(18) . ? C331 F20 1.318(19) . ? C331 F21 1.30(2) . ? C332 F22 1.34(2) . ? C332 F23 1.35(2) . ? C332 F24 1.33(3) . ? C339 O56 1.53(2) . ? C340 O55 1.30(2) . ? C341 O57 1.447(13) . ? C432 F22' 1.322(16) . ? C432 F23' 1.324(16) . ? C432 F24' 1.322(16) . ? F2 F3 1.63(3) . ? S8' O34' 1.401(19) . ? S8' O35' 1.47(2) . ? S8' O36' 1.38(2) . ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag Rh1 N1 C1 N4 176.1(4) . . . . ? Rh1 N1 C1 C2 8.4(7) . . . . ? Rh1 N1 C14 C9 -171.5(6) . . . . ? Rh1 N1 C14 C13 4.9(16) . . . . ? Rh1 N2 C2 N3 177.1(4) . . . . ? Rh1 N2 C2 C1 -15.1(7) . . . . ? Rh1 N2 C3 C4 10.0(15) . . . . ? Rh1 N2 C3 C8 -177.0(7) . . . . ? Rh1 N36 C140 C141 -178.2(7) . . . . ? Rh1 N36 C144 C143 176.1(6) . . . . ? Rh1 C1A C2A C3A 60.2(7) . . . . ? Rh1 C1A C2A C7A -120.3(10) . . . . ? Rh1 C1A C5A C4A -63.2(5) . . . . ? Rh1 C1A C5A C10A 122.0(9) . . . . ? Rh1 C2A C3A C4A 62.2(7) . . . . ? Rh1 C2A C3A C8A -122.9(13) . . . . ? Rh1 C3A C4A C5A 59.3(6) . . . . ? Rh1 C3A C4A C9A -123.0(10) . . . . ? Rh1 C4A C5A C1A 63.8(5) . . . . ? Rh1 C4A C5A C10A -122.0(11) . . . . ? Rh2 N3 C2 N2 174.5(4) . . . . ? Rh2 N3 C2 C1 6.6(7) . . . . ? Rh2 N3 C8 C3 -168.7(6) . . . . ? Rh2 N3 C8 C7 8.7(14) . . . . ? Rh2 N4 C1 N1 179.2(4) . . . . ? Rh2 N4 C1 C2 -12.9(7) . . . . ? Rh2 N4 C9 C10 3.4(13) . . . . ? Rh2 N4 C9 C14 179.8(6) . . . . ? Rh2 N25 C85 C86 -178.6(6) . . . . ? Rh2 N25 C89 C88 176.6(5) . . . . ? Rh2 C1B C2B C3B 63.4(6) . . . . ? Rh2 C1B C2B C7B -121.7(9) . . . . ? Rh2 C1B C5B C4B -57.9(5) . . . . ? Rh2 C1B C5B C10B 121.3(9) . . . . ? Rh2 C2B C3B C4B 57.9(5) . . . . ? Rh2 C2B C3B C8B -118.9(9) . . . . ? Rh2 C3B C4B C5B 65.1(5) . . . . ? Rh2 C3B C4B C9B -118.2(8) . . . . ? Rh2 C4B C5B C1B 59.3(5) . . . . ? Rh2 C4B C5B C10B -119.9(8) . . . . ? Rh3 N5 C15 N8 176.1(5) . . . . ? Rh3 N5 C15 C16 -12.8(9) . . . . ? Rh3 N5 C28 C23 -176.9(11) . . . . ? Rh3 N5 C28 C27 21(4) . . . . ? Rh3 N5 C28' C23' -180.0(7) . . . . ? Rh3 N5 C28' C27' -6(4) . . . . ? Rh3 N6 C16 N7 174.5(5) . . . . ? Rh3 N6 C16 C15 6.1(8) . . . . ? Rh3 N6 C17 C18 5.6(19) . . . . ? Rh3 N6 C17 C22 -169.5(8) . . . . ? Rh3 N28 C100 C101 -176.2(6) . . . . ? Rh3 N28 C104 C103 173.2(6) . . . . ? Rh3 C1C C2C C3C 60.9(8) . . . . ? Rh3 C1C C2C C7C -115.2(13) . . . . ? Rh3 C1C C5C C4C -60.1(7) . . . . ? Rh3 C1C C5C C10C 120.6(14) . . . . ? Rh3 C2C C3C C4C 61.8(9) . . . . ? Rh3 C2C C3C C8C -119.7(13) . . . . ? Rh3 C3C C4C C5C 61.6(6) . . . . ? Rh3 C3C C4C C9C -123.2(15) . . . . ? Rh3 C4C C5C C1C 61.3(8) . . . . ? Rh3 C4C C5C C10C -119.3(11) . . . . ? Rh4 N7 C16 N6 175.9(5) . . . . ? Rh4 N7 C16 C15 -16.3(8) . . . . ? Rh4 N7 C22 C17 -172.9(8) . . . . ? Rh4 N7 C22 C21 11.0(17) . . . . ? Rh4 N8 C15 N5 176.8(6) . . . . ? Rh4 N8 C15 C16 5.4(8) . . . . ? Rh4 N8 C23 C24 24(3) . . . . ? Rh4 N8 C23 C28 -177.3(10) . . . . ? Rh4 N8 C23' C24' -8(2) . . . . ? Rh4 N8 C23' C28' -160.6(13) . . . . ? Rh4 N29 C105 C106 178.3(5) . . . . ? Rh4 N29 C109 C108 -179.0(5) . . . . ? Rh4 C1D C2D C3D 58.1(6) . . . . ? Rh4 C1D C2D C7D -122.4(9) . . . . ? Rh4 C1D C5D C4D -61.7(7) . . . . ? Rh4 C1D C5D C10D 121.1(10) . . . . ? Rh4 C2D C3D C4D 63.3(6) . . . . ? Rh4 C2D C3D C8D -118.2(9) . . . . ? Rh4 C3D C4D C5D 60.3(6) . . . . ? Rh4 C3D C4D C9D -119.8(10) . . . . ? Rh4 C4D C5D C1D 61.4(7) . . . . ? Rh4 C4D C5D C10D -121.6(12) . . . . ? Rh5 N9 C29 N12 177.3(4) . . . . ? Rh5 N9 C29 C30 -13.7(7) . . . . ? Rh5 N9 C42 C37 -175.7(6) . . . . ? Rh5 N9 C42 C41 11.3(15) . . . . ? Rh5 N10 C30 N11 174.2(5) . . . . ? Rh5 N10 C30 C29 6.8(8) . . . . ? Rh5 N10 C31 C32 8.5(16) . . . . ? Rh5 N10 C31 C36 -169.1(7) . . . . ? Rh5 N32 C120 C121 -176.6(6) . . . . ? Rh5 N32 C124 C123 175.5(5) . . . . ? Rh5 C1E C2E C3E 59.9(6) . . . . ? Rh5 C1E C2E C7E -120.4(8) . . . . ? Rh5 C1E C5E C4E -63.5(6) . . . . ? Rh5 C1E C5E C10E 123.3(11) . . . . ? Rh5 C2E C3E C4E 63.3(6) . . . . ? Rh5 C2E C3E C8E -124.0(10) . . . . ? Rh5 C3E C4E C5E 57.8(6) . . . . ? Rh5 C3E C4E C9E -119.8(10) . . . . ? Rh5 C4E C5E C1E 62.8(5) . . . . ? Rh5 C4E C5E C10E -123.8(10) . . . . ? Rh6 N11 C30 N10 177.3(5) . . . . ? Rh6 N11 C30 C29 -15.0(7) . . . . ? Rh6 N11 C36 C31 -175.3(7) . . . . ? Rh6 N11 C36 C35 7.2(15) . . . . ? Rh6 N12 C29 N9 175.8(4) . . . . ? Rh6 N12 C29 C30 7.2(7) . . . . ? Rh6 N12 C37 C38 2.7(15) . . . . ? Rh6 N12 C37 C42 -172.0(6) . . . . ? Rh6 N33 C125 C126 179.3(5) . . . . ? Rh6 N33 C129 C128 177.6(5) . . . . ? Rh6 C1F C2F C3F 63.9(5) . . . . ? Rh6 C1F C2F C7F -118.6(7) . . . . ? Rh6 C1F C5F C4F -61.3(5) . . . . ? Rh6 C1F C5F C10F 121.2(8) . . . . ? Rh6 C2F C3F C4F 59.2(5) . . . . ? Rh6 C2F C3F C8F -121.9(8) . . . . ? Rh6 C3F C4F C5F 60.5(5) . . . . ? Rh6 C3F C4F C9F -122.2(9) . . . . ? Rh6 C4F C5F C1F 62.3(5) . . . . ? Rh6 C4F C5F C10F -120.2(8) . . . . ? Rh7 N13 C43 N16 177.2(5) . . . . ? Rh7 N13 C43 C44 -9.5(7) . . . . ? Rh7 N13 C56 C51 -173.5(6) . . . . ? Rh7 N13 C56 C55 7.9(13) . . . . ? Rh7 N14 C44 N15 -174.9(5) . . . . ? Rh7 N14 C44 C43 14.0(7) . . . . ? Rh7 N14 C45 C46 -13.8(15) . . . . ? Rh7 N14 C45 C50 169.6(6) . . . . ? Rh7 N48 C200 C201 176.3(5) . . . . ? Rh7 N48 C204 C203 -174.9(5) . . . . ? Rh7 C1G C2G C3G 60.5(4) . . . . ? Rh7 C1G C2G C7G -123.9(8) . . . . ? Rh7 C1G C5G C4G -62.8(5) . . . . ? Rh7 C1G C5G C10G 124.0(7) . . . . ? Rh7 C2G C3G C4G 63.2(5) . . . . ? Rh7 C2G C3G C8G -118.8(7) . . . . ? Rh7 C3G C4G C5G 58.2(5) . . . . ? Rh7 C3G C4G C9G -120.0(8) . . . . ? Rh7 C4G C5G C1G 62.7(5) . . . . ? Rh7 C4G C5G C10G -125.2(9) . . . . ? Rh8 N15 C44 N14 178.8(5) . . . . ? Rh8 N15 C44 C43 -10.0(7) . . . . ? Rh8 N15 C50 C45 -176.5(7) . . . . ? Rh8 N15 C50 C49 8.6(16) . . . . ? Rh8 N16 C43 N13 -175.0(5) . . . . ? Rh8 N16 C43 C44 11.6(7) . . . . ? Rh8 N16 C51 C52 -11.3(13) . . . . ? Rh8 N16 C51 C56 171.0(6) . . . . ? Rh8 N37 C145 C146 -173.6(5) . . . . ? Rh8 N37 C149 C148 175.4(5) . . . . ? Rh8 C1H C2H C3H 62.3(5) . . . . ? Rh8 C1H C2H C7H -126.7(9) . . . . ? Rh8 C1H C5H C4H -61.3(6) . . . . ? Rh8 C1H C5H C10H 121.5(9) . . . . ? Rh8 C2H C3H C4H 61.7(6) . . . . ? Rh8 C2H C3H C8H -120.2(10) . . . . ? Rh8 C3H C4H C5H 60.9(6) . . . . ? Rh8 C3H C4H C9H -124.2(10) . . . . ? Rh8 C4H C5H C1H 62.2(6) . . . . ? Rh8 C4H C5H C10H -120.7(9) . . . . ? Rh9 N17 C21I N20 176.5(5) . . . . ? Rh9 N17 C21I C58 -11.3(7) . . . . ? Rh9 N17 C70 C65 -174.0(6) . . . . ? Rh9 N17 C70 C69 6.5(14) . . . . ? Rh9 N18 C58 N19 -175.8(4) . . . . ? Rh9 N18 C58 C21I 12.1(6) . . . . ? Rh9 N18 C59 C60 -7.5(14) . . . . ? Rh9 N18 C59 C64 173.1(7) . . . . ? Rh9 N40 C160 C161 -179.1(6) . . . . ? Rh9 N40 C164 C163 -176.6(6) . . . . ? Rh9 C1I C2I C3I 63.1(7) . . . . ? Rh9 C1I C2I C7I -117.6(10) . . . . ? Rh9 C1I C5I C4I -60.2(6) . . . . ? Rh9 C1I C5I C10I 124.0(11) . . . . ? Rh9 C2I C3I C4I 58.7(7) . . . . ? Rh9 C2I C3I C8I -123.0(9) . . . . ? Rh9 C3I C4I C5I 62.3(6) . . . . ? Rh9 C3I C4I C9I -117.5(10) . . . . ? Rh9 C4I C5I C1I 62.2(6) . . . . ? Rh9 C4I C5I C10I -122.5(12) . . . . ? Rh9 C11I C12I C13I -61.3(7) . . . . ? Rh9 C11I C12I C17I 123.3(19) . . . . ? Rh9 C11I C15I C14I 53.9(8) . . . . ? Rh9 C11I C15I C19I 68.9(18) . . . . ? Rh9 C11I C15I C20I -117(2) . . . . ? Rh9 C12I C13I C14I -69.0(7) . . . . ? Rh9 C12I C13I C18I 116(4) . . . . ? Rh9 C13I C14I C15I -65.2(6) . . . . ? Rh9 C13I C14I C18I 117(2) . . . . ? Rh9 C13I C14I C19I 137(3) . . . . ? Rh9 C13I C18I C14I -82.7(12) . . . . ? Rh9 C14I C15I C11I -56.0(6) . . . . ? Rh9 C14I C15I C19I 139(2) . . . . ? Rh9 C14I C15I C20I 115.8(18) . . . . ? Rh9 C14I C19I C15I -93(2) . . . . ? Rh9 C14I C19I C20I -82(2) . . . . ? Rh9 C15I C20I C19I 93.6(12) . . . . ? Rh10 N19 C58 N18 177.9(4) . . . . ? Rh10 N19 C58 C21I -10.2(7) . . . . ? Rh10 N19 C64 C59 -177.6(7) . . . . ? Rh10 N19 C64 C63 3.8(16) . . . . ? Rh10 N20 C21I N17 -176.8(4) . . . . ? Rh10 N20 C21I C58 10.8(7) . . . . ? Rh10 N20 C65 C66 -6.5(17) . . . . ? Rh10 N20 C65 C70 173.0(7) . . . . ? Rh10 N41 C165 C166 -171.4(7) . . . . ? Rh10 N41 C169 C168 172.9(6) . . . . ? Rh10 C1J C2J C3J 62.8(7) . . . . ? Rh10 C1J C2J C7J -123.4(10) . . . . ? Rh10 C1J C5J C4J -62.3(6) . . . . ? Rh10 C1J C5J C10J 127.6(10) . . . . ? Rh10 C2J C3J C4J 61.2(6) . . . . ? Rh10 C2J C3J C8J -119.6(12) . . . . ? Rh10 C3J C4J C5J 59.8(6) . . . . ? Rh10 C3J C4J C9J -121.4(9) . . . . ? Rh10 C4J C5J C1J 62.6(6) . . . . ? Rh10 C4J C5J C10J -126.9(10) . . . . ? Rh11 N21 C71 N24 176.1(5) . . . . ? Rh11 N21 C71 C72 -11.2(9) . . . . ? Rh11 N21 C84 C79 -170.7(7) . . . . ? Rh11 N21 C84 C83 11.7(18) . . . . ? Rh11 N22 C72 N23 -175.1(5) . . . . ? Rh11 N22 C72 C71 11.3(9) . . . . ? Rh11 N22 C73 C74 -9.8(18) . . . . ? Rh11 N22 C73 C78 172.7(8) . . . . ? Rh11 N44 C180 C181 178.5(5) . . . . ? Rh11 N44 C184 C183 -176.9(6) . . . . ? Rh11 C1K C2K C3K 63.0(2) . . . . ? Rh11 C1K C2K C7K -117.0(2) . . . . ? Rh11 C1K C5K C4K -63.94(19) . . . . ? Rh11 C1K C5K C10K 116.04(19) . . . . ? Rh11 C2K C3K C4K 60.62(18) . . . . ? Rh11 C2K C3K C8K -119.36(18) . . . . ? Rh11 C3K C4K C5K 60.11(19) . . . . ? Rh11 C3K C4K C9K -119.91(18) . . . . ? Rh11 C4K C5K C1K 62.1(2) . . . . ? Rh11 C4K C5K C10K -117.9(2) . . . . ? Rh11 C11K C12K C13K 59.5(2) . . . . ? Rh11 C11K C12K C17K -120.5(2) . . . . ? Rh11 C11K C15K C14K -60.58(19) . . . . ? Rh11 C11K C15K C20K 119.44(18) . . . . ? Rh11 C12K C13K C14K 61.1(2) . . . . ? Rh11 C12K C13K C18K -119.0(2) . . . . ? Rh11 C13K C14K C15K 63.10(19) . . . . ? Rh11 C13K C14K C19K -116.90(19) . . . . ? Rh11 C14K C15K C11K 62.8(2) . . . . ? Rh11 C14K C15K C20K -117.2(2) . . . . ? Rh12 N23 C72 N22 176.9(5) . . . . ? Rh12 N23 C72 C71 -9.7(9) . . . . ? Rh12 N23 C78 C73 -175.9(8) . . . . ? Rh12 N23 C78 C77 4.8(18) . . . . ? Rh12 N24 C71 N21 -176.8(6) . . . . ? Rh12 N24 C71 C72 10.5(9) . . . . ? Rh12 N24 C79 C80 -7.6(19) . . . . ? Rh12 N24 C79 C84 171.5(8) . . . . ? Rh12 N45 C185 C186 -170.0(7) . . . . ? Rh12 N45 C189 C188 170.9(6) . . . . ? Rh12 C1L C2L C3L 61.6(7) . . . . ? Rh12 C1L C2L C7L -123.3(14) . . . . ? Rh12 C1L C5L C4L -60.4(16) . . . . ? Rh12 C1L C5L C10L 117.5(16) . . . . ? Rh12 C2L C3L C4L 64.0(8) . . . . ? Rh12 C2L C3L C8L -114.1(15) . . . . ? Rh12 C3L C4L C5L 62.1(12) . . . . ? Rh12 C3L C4L C9L -115.4(17) . . . . ? Rh12 C4L C5L C1L 58.5(15) . . . . ? Rh12 C4L C5L C10L -119(2) . . . . ? K1 O1 C90 N26 3(3) . . . . ? K1 O1 C90 C87 -176.4(16) . . . . ? K1 O3 C110 N30 15(2) . . . . ? K1 O3 C110 C107 -167.7(12) . . . . ? K1 O5 C130 N34 -1(2) . . . . ? K1 O5 C130 C127 177.7(11) . . . . ? K1 O8 C159 N39 -7(2) . . . . ? K1 O8 C159 C162 176.7(14) . . . . ? K1 O10 C179 N43 -1.3(18) . . . . ? K1 O10 C179 C182 -176.5(10) . . . . ? K1 O12 C199 N47 -8.2(15) . . . . ? K1 O12 C199 C202 178.7(8) . . . . ? K2 O2 C99 N27 100(3) . . . . ? K2 O2 C99 C102 -82(3) . . . . ? K2 O4 C119 N31 92(2) . . . . ? K2 O4 C119 C122 -91(2) . . . . ? K2 O13 S1 O14 124.7(10) . . . . ? K2 O13 S1 O15 -14.4(11) . . . . ? K2 O13 S1 C325 -126.0(8) . . . . ? N1 C1 C2 N2 4.8(9) . . . . ? N1 C1 C2 N3 172.1(6) . . . . ? N2 C3 C4 C5 171.0(9) . . . . ? N2 C3 C8 N3 1.2(7) . . . . ? N2 C3 C8 C7 -176.5(7) . . . . ? N4 C1 C2 N2 -162.7(6) . . . . ? N4 C1 C2 N3 4.6(9) . . . . ? N4 C9 C10 C11 176.8(8) . . . . ? N4 C9 C14 N1 -0.1(8) . . . . ? N4 C9 C14 C13 -177.1(7) . . . . ? N5 C15 C16 N6 4.8(11) . . . . ? N5 C15 C16 N7 -162.8(7) . . . . ? N6 C17 C18 C19 -179.7(11) . . . . ? N6 C17 C22 N7 0.7(10) . . . . ? N6 C17 C22 C21 177.0(9) . . . . ? N8 C15 C16 N6 175.7(7) . . . . ? N8 C15 C16 N7 8.1(11) . . . . ? N8 C23 C24 C25 170(2) . . . . ? N8 C23 C28 N5 13.2(17) . . . . ? N8 C23 C28 C27 176.7(17) . . . . ? N8 C23' C24' C25' -168(2) . . . . ? N8 C23' C28' N5 -12.0(16) . . . . ? N8 C23' C28' C27' 173(2) . . . . ? N9 C29 C30 N10 4.8(9) . . . . ? N9 C29 C30 N11 -162.9(6) . . . . ? N10 C31 C32 C33 -175.5(9) . . . . ? N10 C31 C36 N11 -0.5(8) . . . . ? N10 C31 C36 C35 177.2(7) . . . . ? N12 C29 C30 N10 173.3(6) . . . . ? N12 C29 C30 N11 5.5(9) . . . . ? N12 C37 C38 C39 -172.3(10) . . . . ? N12 C37 C42 N9 0.0(8) . . . . ? N12 C37 C42 C41 173.7(7) . . . . ? N13 C43 C44 N14 -3.2(10) . . . . ? N13 C43 C44 N15 -174.1(6) . . . . ? N14 C45 C46 C47 -175.0(8) . . . . ? N14 C45 C50 N15 0.6(8) . . . . ? N14 C45 C50 C49 176.2(8) . . . . ? N16 C43 C44 N14 170.0(6) . . . . ? N16 C43 C44 N15 -0.9(9) . . . . ? N16 C51 C52 C53 -178.6(7) . . . . ? N16 C51 C56 N13 -1.1(6) . . . . ? N16 C51 C56 C55 177.7(6) . . . . ? N17 C21I C58 N18 -0.8(8) . . . . ? N17 C21I C58 N19 -172.8(6) . . . . ? N18 C59 C60 C61 -176.9(8) . . . . ? N18 C59 C64 N19 1.0(8) . . . . ? N18 C59 C64 C63 179.9(8) . . . . ? N20 C21I C58 N18 171.7(6) . . . . ? N20 C21I C58 N19 -0.3(8) . . . . ? N20 C65 C66 C67 175.7(10) . . . . ? N20 C65 C70 N17 2.8(8) . . . . ? N20 C65 C70 C69 -177.5(8) . . . . ? N21 C71 C72 N22 -0.1(12) . . . . ? N21 C71 C72 N23 -173.2(7) . . . . ? N22 C73 C74 C75 -178.1(10) . . . . ? N22 C73 C78 N23 -0.1(10) . . . . ? N22 C73 C78 C77 179.2(9) . . . . ? N24 C71 C72 N22 172.4(7) . . . . ? N24 C71 C72 N23 -0.7(12) . . . . ? N24 C79 C80 C81 177.9(12) . . . . ? N24 C79 C84 N21 -0.5(9) . . . . ? N24 C79 C84 C83 177.6(9) . . . . ? N25 C85 C86 C87 -0.1(11) . . . . ? N26 C91 C92 C93 -54.4(8) . . . . ? N26 C91 C92 C97 124.6(6) . . . . ? N27 C99 C102 C101 -157.6(8) . . . . ? N27 C99 C102 C103 23.7(12) . . . . ? N28 C100 C101 C102 0.6(12) . . . . ? N29 C105 C106 C107 0.5(11) . . . . ? N30 C111 C112 C113 -56.0(9) . . . . ? N30 C111 C112 C117 128.1(7) . . . . ? N31 C119 C122 C121 -153.9(7) . . . . ? N31 C119 C122 C123 28.7(10) . . . . ? N32 C120 C121 C122 0.0(11) . . . . ? N33 C125 C126 C127 2.5(9) . . . . ? N34 C131 C132 C133 -55.2(10) . . . . ? N34 C131 C132 C137 123.6(8) . . . . ? N35 C139 C142 C141 -156.3(9) . . . . ? N35 C139 C142 C143 26.1(14) . . . . ? N36 C140 C141 C142 2.4(13) . . . . ? N37 C145 C146 C147 -1.8(11) . . . . ? N38 C151 C152 C153 -155.8(7) . . . . ? N38 C151 C152 C157 24.3(10) . . . . ? N39 C159 C162 C161 159.5(7) . . . . ? N39 C159 C162 C163 -22.8(11) . . . . ? N40 C160 C161 C162 -2.2(12) . . . . ? N41 C165 C166 C167 -3.1(13) . . . . ? N42 C171 C172 C173 28.7(10) . . . . ? N42 C171 C172 C177 -153.2(6) . . . . ? N43 C179 C182 C181 160.8(6) . . . . ? N43 C179 C182 C183 -24.0(9) . . . . ? N44 C180 C181 C182 0.1(10) . . . . ? N45 C185 C186 C187 -5.2(13) . . . . ? N46 C191 C192 C193 26.5(12) . . . . ? N46 C191 C192 C197 -159.2(8) . . . . ? N47 C199 C202 C201 157.0(6) . . . . ? N47 C199 C202 C203 -25.9(8) . . . . ? N48 C200 C201 C202 1.7(10) . . . . ? O2 C99 C102 C101 24.3(12) . . . . ? O2 C99 C102 C103 -154.4(9) . . . . ? O4 C119 C122 C121 28.9(10) . . . . ? O4 C119 C122 C123 -148.5(7) . . . . ? O6 C139 C142 C141 24.1(13) . . . . ? O6 C139 C142 C143 -153.4(9) . . . . ? O8 C159 C162 C161 -24.3(11) . . . . ? O8 C159 C162 C163 153.3(8) . . . . ? O10 C179 C182 C181 -23.7(9) . . . . ? O10 C179 C182 C183 151.5(7) . . . . ? O12 C199 C202 C201 -29.3(9) . . . . ? O12 C199 C202 C203 147.8(6) . . . . ? O13 S1 C325 F1 -68.1(16) . . . . ? O13 S1 C325 F2 67.8(17) . . . . ? O13 S1 C325 F3 153(2) . . . . ? O14 S1 C325 F1 46.4(16) . . . . ? O14 S1 C325 F2 -177.7(15) . . . . ? O14 S1 C325 F3 -93(2) . . . . ? O15 S1 C325 F1 174.2(15) . . . . ? O15 S1 C325 F2 -49.9(18) . . . . ? O15 S1 C325 F3 35(2) . . . . ? O16 S2 C326 F4 -64.5(9) . . . . ? O16 S2 C326 F5 58.7(7) . . . . ? O16 S2 C326 F6 166.1(7) . . . . ? O17 S2 C326 F4 53.9(9) . . . . ? O17 S2 C326 F5 177.0(6) . . . . ? O17 S2 C326 F6 -75.6(7) . . . . ? O18 S2 C326 F4 171.5(9) . . . . ? O18 S2 C326 F5 -65.3(8) . . . . ? O18 S2 C326 F6 42.1(8) . . . . ? O19 S3 C327 F7 64.3(10) . . . . ? O19 S3 C327 F8 -177.2(9) . . . . ? O19 S3 C327 F9 -59.7(9) . . . . ? O20 S3 C327 F7 -176.9(9) . . . . ? O20 S3 C327 F8 -58.4(11) . . . . ? O20 S3 C327 F9 59.1(10) . . . . ? O21 S3 C327 F7 -60.9(10) . . . . ? O21 S3 C327 F8 57.6(11) . . . . ? O21 S3 C327 F9 175.1(9) . . . . ? O22 S4 C328 F10 -55.1(9) . . . . ? O22 S4 C328 F11 63.0(8) . . . . ? O22 S4 C328 F12 -175.0(9) . . . . ? O23 S4 C328 F10 61.6(9) . . . . ? O23 S4 C328 F11 179.7(8) . . . . ? O23 S4 C328 F12 -58.2(11) . . . . ? O24 S4 C328 F10 172.1(10) . . . . ? O24 S4 C328 F11 -69.8(9) . . . . ? O24 S4 C328 F12 52.3(12) . . . . ? C1A C2A C3A Rh1 -61.1(7) . . . . ? C1A C2A C3A C4A 1.0(11) . . . . ? C1A C2A C3A C8A 176.0(11) . . . . ? C2A C1A C5A Rh1 59.5(6) . . . . ? C2A C1A C5A C4A -3.7(9) . . . . ? C2A C1A C5A C10A -178.6(9) . . . . ? C2A C3A C4A Rh1 -62.8(7) . . . . ? C2A C3A C4A C5A -3.5(11) . . . . ? C2A C3A C4A C9A 174.2(9) . . . . ? C3A C4A C5A Rh1 -59.4(7) . . . . ? C3A C4A C5A C1A 4.4(10) . . . . ? C3A C4A C5A C10A 178.5(11) . . . . ? C5A C1A C2A Rh1 -58.4(6) . . . . ? C5A C1A C2A C3A 1.8(10) . . . . ? C5A C1A C2A C7A -178.7(9) . . . . ? C6A C1A C2A Rh1 119.3(8) . . . . ? C6A C1A C2A C3A 179.5(8) . . . . ? C6A C1A C2A C7A -1.0(15) . . . . ? C6A C1A C5A Rh1 -118.3(8) . . . . ? C6A C1A C5A C4A 178.5(8) . . . . ? C6A C1A C5A C10A 3.6(13) . . . . ? C7A C2A C3A Rh1 119.3(9) . . . . ? C7A C2A C3A C4A -178.5(9) . . . . ? C7A C2A C3A C8A -3.6(17) . . . . ? C8A C3A C4A Rh1 122.2(12) . . . . ? C8A C3A C4A C5A -178.6(11) . . . . ? C8A C3A C4A C9A -0.8(17) . . . . ? C9A C4A C5A Rh1 122.9(10) . . . . ? C9A C4A C5A C1A -173.4(9) . . . . ? C9A C4A C5A C10A 0.8(17) . . . . ? C1B C2B C3B Rh2 -62.8(5) . . . . ? C1B C2B C3B C4B -5.0(9) . . . . ? C1B C2B C3B C8B 178.2(9) . . . . ? C2B C1B C5B Rh2 60.1(5) . . . . ? C2B C1B C5B C4B 2.2(9) . . . . ? C2B C1B C5B C10B -178.6(8) . . . . ? C2B C3B C4B Rh2 -58.7(6) . . . . ? C2B C3B C4B C5B 6.3(9) . . . . ? C2B C3B C4B C9B -176.9(8) . . . . ? C3B C4B C5B Rh2 -64.4(5) . . . . ? C3B C4B C5B C1B -5.1(8) . . . . ? C3B C4B C5B C10B 175.7(8) . . . . ? C5B C1B C2B Rh2 -61.7(5) . . . . ? C5B C1B C2B C3B 1.7(9) . . . . ? C5B C1B C2B C7B 176.6(8) . . . . ? C6B C1B C2B Rh2 122.6(9) . . . . ? C6B C1B C2B C3B -174.0(8) . . . . ? C6B C1B C2B C7B 0.9(14) . . . . ? C6B C1B C5B Rh2 -123.8(8) . . . . ? C6B C1B C5B C4B 178.2(7) . . . . ? C6B C1B C5B C10B -2.6(13) . . . . ? C7B C2B C3B Rh2 122.8(11) . . . . ? C7B C2B C3B C4B -179.3(10) . . . . ? C7B C2B C3B C8B 3.9(16) . . . . ? C8B C3B C4B Rh2 118.2(8) . . . . ? C8B C3B C4B C5B -176.7(8) . . . . ? C8B C3B C4B C9B 0.1(13) . . . . ? C9B C4B C5B Rh2 118.6(7) . . . . ? C9B C4B C5B C1B 177.9(7) . . . . ? C9B C4B C5B C10B -1.3(12) . . . . ? C1C C2C C3C Rh3 -59.8(8) . . . . ? C1C C2C C3C C4C 2.0(14) . . . . ? C1C C2C C3C C8C -179.5(12) . . . . ? C2C C1C C5C Rh3 62.2(8) . . . . ? C2C C1C C5C C4C 2.1(12) . . . . ? C2C C1C C5C C10C -177.2(13) . . . . ? C2C C3C C4C Rh3 -62.4(10) . . . . ? C2C C3C C4C C5C -0.8(13) . . . . ? C2C C3C C4C C9C 174.4(14) . . . . ? C3C C4C C5C Rh3 -62.2(7) . . . . ? C3C C4C C5C C1C -0.9(11) . . . . ? C3C C4C C5C C10C 178.5(11) . . . . ? C5C C1C C2C Rh3 -63.4(8) . . . . ? C5C C1C C2C C3C -2.6(14) . . . . ? C5C C1C C2C C7C -178.6(13) . . . . ? C6C C1C C2C Rh3 119.2(13) . . . . ? C6C C1C C2C C3C -180.0(12) . . . . ? C6C C1C C2C C7C 4.0(19) . . . . ? C6C C1C C5C Rh3 -120.6(14) . . . . ? C6C C1C C5C C4C 179.3(12) . . . . ? C6C C1C C5C C10C 0(2) . . . . ? C7C C2C C3C Rh3 115(2) . . . . ? C7C C2C C3C C4C 176.4(19) . . . . ? C7C C2C C3C C8C -5(3) . . . . ? C8C C3C C4C Rh3 119.0(11) . . . . ? C8C C3C C4C C5C -179.4(10) . . . . ? C8C C3C C4C C9C -4(2) . . . . ? C9C C4C C5C Rh3 121.9(12) . . . . ? C9C C4C C5C C1C -176.8(12) . . . . ? C9C C4C C5C C10C 2.6(18) . . . . ? C1D C2D C3D Rh4 -59.0(6) . . . . ? C1D C2D C3D C4D 4.3(10) . . . . ? C1D C2D C3D C8D -177.2(9) . . . . ? C2D C1D C5D Rh4 62.6(6) . . . . ? C2D C1D C5D C4D 1.0(10) . . . . ? C2D C1D C5D C10D -176.3(10) . . . . ? C2D C3D C4D Rh4 -63.6(5) . . . . ? C2D C3D C4D C5D -3.3(9) . . . . ? C2D C3D C4D C9D 176.5(9) . . . . ? C3D C4D C5D Rh4 -60.0(6) . . . . ? C3D C4D C5D C1D 1.5(10) . . . . ? C3D C4D C5D C10D 178.4(10) . . . . ? C5D C1D C2D Rh4 -61.4(6) . . . . ? C5D C1D C2D C3D -3.3(10) . . . . ? C5D C1D C2D C7D 176.2(8) . . . . ? C6D C1D C2D Rh4 122.0(11) . . . . ? C6D C1D C2D C3D -179.9(10) . . . . ? C6D C1D C2D C7D -0.4(16) . . . . ? C6D C1D C5D Rh4 -120.5(10) . . . . ? C6D C1D C5D C4D 177.8(9) . . . . ? C6D C1D C5D C10D 0.6(15) . . . . ? C7D C2D C3D Rh4 121.5(9) . . . . ? C7D C2D C3D C4D -175.2(8) . . . . ? C7D C2D C3D C8D 3.3(15) . . . . ? C8D C3D C4D Rh4 117.7(8) . . . . ? C8D C3D C4D C5D 178.0(8) . . . . ? C8D C3D C4D C9D -2.2(14) . . . . ? C9D C4D C5D Rh4 120.2(11) . . . . ? C9D C4D C5D C1D -178.4(10) . . . . ? C9D C4D C5D C10D -1.4(18) . . . . ? C1E C2E C3E Rh5 -60.2(6) . . . . ? C1E C2E C3E C4E 3.1(10) . . . . ? C1E C2E C3E C8E 175.8(9) . . . . ? C2E C1E C5E Rh5 61.1(6) . . . . ? C2E C1E C5E C4E -2.4(9) . . . . ? C2E C1E C5E C10E -175.7(10) . . . . ? C2E C3E C4E Rh5 -62.3(6) . . . . ? C2E C3E C4E C5E -4.5(10) . . . . ? C2E C3E C4E C9E 177.9(9) . . . . ? C3E C4E C5E Rh5 -58.5(6) . . . . ? C3E C4E C5E C1E 4.3(9) . . . . ? C3E C4E C5E C10E 177.7(9) . . . . ? C5E C1E C2E Rh5 -60.3(5) . . . . ? C5E C1E C2E C3E -0.4(9) . . . . ? C5E C1E C2E C7E 179.3(8) . . . . ? C6E C1E C2E Rh5 121.5(10) . . . . ? C6E C1E C2E C3E -178.6(9) . . . . ? C6E C1E C2E C7E 1.1(14) . . . . ? C6E C1E C5E Rh5 -120.7(9) . . . . ? C6E C1E C5E C4E 175.9(9) . . . . ? C6E C1E C5E C10E 2.6(15) . . . . ? C7E C2E C3E Rh5 120.2(8) . . . . ? C7E C2E C3E C4E -176.5(8) . . . . ? C7E C2E C3E C8E -3.8(14) . . . . ? C8E C3E C4E Rh5 124.7(9) . . . . ? C8E C3E C4E C5E -177.5(9) . . . . ? C8E C3E C4E C9E 4.9(15) . . . . ? C9E C4E C5E Rh5 119.2(9) . . . . ? C9E C4E C5E C1E -178.0(9) . . . . ? C9E C4E C5E C10E -4.6(15) . . . . ? C1F C2F C3F Rh6 -62.9(4) . . . . ? C1F C2F C3F C4F -3.7(8) . . . . ? C1F C2F C3F C8F 175.2(7) . . . . ? C2F C1F C5F Rh6 58.3(5) . . . . ? C2F C1F C5F C4F -2.9(8) . . . . ? C2F C1F C5F C10F 179.5(7) . . . . ? C2F C3F C4F Rh6 -58.6(5) . . . . ? C2F C3F C4F C5F 2.0(8) . . . . ? C2F C3F C4F C9F 179.3(8) . . . . ? C3F C4F C5F Rh6 -61.6(5) . . . . ? C3F C4F C5F C1F 0.7(8) . . . . ? C3F C4F C5F C10F 178.2(8) . . . . ? C5F C1F C2F Rh6 -59.7(5) . . . . ? C5F C1F C2F C3F 4.1(8) . . . . ? C5F C1F C2F C7F -178.4(7) . . . . ? C6F C1F C2F Rh6 120.4(7) . . . . ? C6F C1F C2F C3F -175.7(7) . . . . ? C6F C1F C2F C7F 1.8(12) . . . . ? C6F C1F C5F Rh6 -121.9(8) . . . . ? C6F C1F C5F C4F 176.9(7) . . . . ? C6F C1F C5F C10F -0.7(13) . . . . ? C7F C2F C3F Rh6 119.5(7) . . . . ? C7F C2F C3F C4F 178.7(7) . . . . ? C7F C2F C3F C8F -2.4(12) . . . . ? C8F C3F C4F Rh6 122.5(7) . . . . ? C8F C3F C4F C5F -177.0(7) . . . . ? C8F C3F C4F C9F 0.3(13) . . . . ? C9F C4F C5F Rh6 121.1(9) . . . . ? C9F C4F C5F C1F -176.7(8) . . . . ? C9F C4F C5F C10F 0.8(13) . . . . ? C1G C2G C3G Rh7 -61.6(5) . . . . ? C1G C2G C3G C4G 1.6(7) . . . . ? C1G C2G C3G C8G 179.6(7) . . . . ? C2G C1G C5G Rh7 59.7(5) . . . . ? C2G C1G C5G C4G -3.1(8) . . . . ? C2G C1G C5G C10G -176.3(7) . . . . ? C2G C3G C4G Rh7 -61.8(4) . . . . ? C2G C3G C4G C5G -3.6(7) . . . . ? C2G C3G C4G C9G 178.2(8) . . . . ? C3G C4G C5G Rh7 -58.6(5) . . . . ? C3G C4G C5G C1G 4.2(8) . . . . ? C3G C4G C5G C10G 176.2(8) . . . . ? C5G C1G C2G Rh7 -59.5(5) . . . . ? C5G C1G C2G C3G 1.0(8) . . . . ? C5G C1G C2G C7G 176.5(7) . . . . ? C6G C1G C2G Rh7 120.4(8) . . . . ? C6G C1G C2G C3G -179.1(7) . . . . ? C6G C1G C2G C7G -3.5(12) . . . . ? C6G C1G C5G Rh7 -120.3(8) . . . . ? C6G C1G C5G C4G 176.9(8) . . . . ? C6G C1G C5G C10G 3.8(12) . . . . ? C7G C2G C3G Rh7 122.7(7) . . . . ? C7G C2G C3G C4G -174.1(7) . . . . ? C7G C2G C3G C8G 3.9(11) . . . . ? C8G C3G C4G Rh7 120.3(7) . . . . ? C8G C3G C4G C5G 178.5(7) . . . . ? C8G C3G C4G C9G 0.3(13) . . . . ? C9G C4G C5G Rh7 119.7(8) . . . . ? C9G C4G C5G C1G -177.5(7) . . . . ? C9G C4G C5G C10G -5.5(13) . . . . ? C1H C2H C3H Rh8 -64.0(5) . . . . ? C1H C2H C3H C4H -2.3(9) . . . . ? C1H C2H C3H C8H 175.8(9) . . . . ? C2H C1H C5H Rh8 57.9(6) . . . . ? C2H C1H C5H C4H -3.4(10) . . . . ? C2H C1H C5H C10H 179.5(8) . . . . ? C2H C3H C4H Rh8 -60.6(5) . . . . ? C2H C3H C4H C5H 0.3(10) . . . . ? C2H C3H C4H C9H 175.2(9) . . . . ? C3H C4H C5H Rh8 -60.3(7) . . . . ? C3H C4H C5H C1H 1.9(10) . . . . ? C3H C4H C5H C10H 179.0(9) . . . . ? C5H C1H C2H Rh8 -58.8(6) . . . . ? C5H C1H C2H C3H 3.5(9) . . . . ? C5H C1H C2H C7H 174.5(8) . . . . ? C6H C1H C2H Rh8 121.2(9) . . . . ? C6H C1H C2H C3H -176.6(8) . . . . ? C6H C1H C2H C7H -5.5(14) . . . . ? C6H C1H C5H Rh8 -122.0(10) . . . . ? C6H C1H C5H C4H 176.6(9) . . . . ? C6H C1H C5H C10H -0.5(15) . . . . ? C7H C2H C3H Rh8 124.8(9) . . . . ? C7H C2H C3H C4H -173.5(8) . . . . ? C7H C2H C3H C8H 4.6(14) . . . . ? C8H C3H C4H Rh8 121.4(10) . . . . ? C8H C3H C4H C5H -177.7(9) . . . . ? C8H C3H C4H C9H -2.8(16) . . . . ? C9H C4H C5H Rh8 124.7(9) . . . . ? C9H C4H C5H C1H -173.1(9) . . . . ? C9H C4H C5H C10H 4.0(15) . . . . ? C1I C2I C3I Rh9 -62.7(7) . . . . ? C1I C2I C3I C4I -4.1(11) . . . . ? C1I C2I C3I C8I 174.3(9) . . . . ? C2I C1I C5I Rh9 59.9(6) . . . . ? C2I C1I C5I C4I -0.3(10) . . . . ? C2I C1I C5I C10I -176.0(11) . . . . ? C2I C3I C4I Rh9 -58.7(6) . . . . ? C2I C3I C4I C5I 3.6(10) . . . . ? C2I C3I C4I C9I -176.2(10) . . . . ? C3I C4I C5I Rh9 -64.2(6) . . . . ? C3I C4I C5I C1I -2.1(10) . . . . ? C3I C4I C5I C10I 173.3(12) . . . . ? C5I C1I C2I Rh9 -60.4(6) . . . . ? C5I C1I C2I C3I 2.7(11) . . . . ? C5I C1I C2I C7I -177.9(10) . . . . ? C6I C1I C2I Rh9 120.3(10) . . . . ? C6I C1I C2I C3I -176.6(10) . . . . ? C6I C1I C2I C7I 2.7(16) . . . . ? C6I C1I C5I Rh9 -120.7(10) . . . . ? C6I C1I C5I C4I 179.1(9) . . . . ? C6I C1I C5I C10I 3.3(16) . . . . ? C7I C2I C3I Rh9 117.9(11) . . . . ? C7I C2I C3I C4I 176.6(10) . . . . ? C7I C2I C3I C8I -5.0(16) . . . . ? C8I C3I C4I Rh9 123.2(12) . . . . ? C8I C3I C4I C5I -174.5(11) . . . . ? C8I C3I C4I C9I 5.7(18) . . . . ? C9I C4I C5I Rh9 115.5(13) . . . . ? C9I C4I C5I C1I 177.7(12) . . . . ? C9I C4I C5I C10I -7(2) . . . . ? C11I C12I C13I Rh9 69.0(7) . . . . ? C11I C12I C13I C14I 0.0 . . . . ? C11I C12I C13I C18I -175(4) . . . . ? C11I C15I C20I C19I -177(2) . . . . ? C12I C11I C15I Rh9 -53.9(8) . . . . ? C12I C11I C15I C14I 0.0 . . . . ? C12I C11I C15I C19I 14.9(19) . . . . ? C12I C11I C15I C20I -171(2) . . . . ? C12I C13I C14I Rh9 65.2(6) . . . . ? C12I C13I C14I C15I 0.0 . . . . ? C12I C13I C14I C18I -177(2) . . . . ? C12I C13I C14I C19I -158(3) . . . . ? C12I C13I C18I C14I 175(4) . . . . ? C13I C14I C15I Rh9 56.0(6) . . . . ? C13I C14I C15I C11I 0.0 . . . . ? C13I C14I C15I C19I -165(2) . . . . ? C13I C14I C15I C20I 172(2) . . . . ? C13I C14I C19I C15I 158(3) . . . . ? C13I C14I C19I C20I 170(2) . . . . ? C14I C15I C20I C19I 13.6(13) . . . . ? C15I C11I C12I Rh9 61.3(7) . . . . ? C15I C11I C12I C13I 0.0 . . . . ? C15I C11I C12I C17I -175.4(19) . . . . ? C15I C14I C19I C20I 11.8(11) . . . . ? C16I C11I C12I Rh9 -110(2) . . . . ? C16I C11I C12I C13I -171(2) . . . . ? C16I C11I C12I C17I 14(3) . . . . ? C16I C11I C15I Rh9 119.7(14) . . . . ? C16I C11I C15I C14I 173.6(15) . . . . ? C16I C11I C15I C19I -171(2) . . . . ? C16I C11I C15I C20I 3(2) . . . . ? C17I C12I C13I Rh9 -117(2) . . . . ? C17I C12I C13I C14I 174(2) . . . . ? C17I C12I C13I C18I -1(4) . . . . ? C18I C13I C14I Rh9 -117(2) . . . . ? C18I C13I C14I C15I 177(2) . . . . ? C18I C13I C14I C19I 19(3) . . . . ? C18I C14I C15I Rh9 59(2) . . . . ? C18I C14I C15I C11I 3(2) . . . . ? C18I C14I C15I C19I -162(4) . . . . ? C18I C14I C15I C20I 175(3) . . . . ? C18I C14I C19I C15I 170(2) . . . . ? C18I C14I C19I C20I -177.9(17) . . . . ? C19I C14I C15I Rh9 -139(2) . . . . ? C19I C14I C15I C11I 165(2) . . . . ? C19I C14I C15I C20I -23(2) . . . . ? C1J C2J C3J Rh10 -63.4(6) . . . . ? C1J C2J C3J C4J -2.2(10) . . . . ? C1J C2J C3J C8J 177.0(11) . . . . ? C2J C1J C5J Rh10 58.7(6) . . . . ? C2J C1J C5J C4J -3.6(9) . . . . ? C2J C1J C5J C10J -173.7(10) . . . . ? C2J C3J C4J Rh10 -59.9(6) . . . . ? C2J C3J C4J C5J -0.1(10) . . . . ? C2J C3J C4J C9J 178.7(9) . . . . ? C3J C4J C5J Rh10 -60.3(7) . . . . ? C3J C4J C5J C1J 2.3(10) . . . . ? C3J C4J C5J C10J 172.8(10) . . . . ? C5J C1J C2J Rh10 -59.2(6) . . . . ? C5J C1J C2J C3J 3.6(10) . . . . ? C5J C1J C2J C7J 177.3(10) . . . . ? C6J C1J C2J Rh10 120.6(9) . . . . ? C6J C1J C2J C3J -176.6(9) . . . . ? C6J C1J C2J C7J -2.8(15) . . . . ? C6J C1J C5J Rh10 -121.1(10) . . . . ? C6J C1J C5J C4J 176.6(9) . . . . ? C6J C1J C5J C10J 6.5(16) . . . . ? C7J C2J C3J Rh10 123.3(11) . . . . ? C7J C2J C3J C4J -175.5(10) . . . . ? C7J C2J C3J C8J 3.7(19) . . . . ? C8J C3J C4J Rh10 120.8(12) . . . . ? C8J C3J C4J C5J -179.4(11) . . . . ? C8J C3J C4J C9J -0.6(16) . . . . ? C9J C4J C5J Rh10 121.0(9) . . . . ? C9J C4J C5J C1J -176.4(9) . . . . ? C9J C4J C5J C10J -5.9(15) . . . . ? C1K C2K C3K Rh11 -60.65(18) . . . . ? C1K C2K C3K C4K 0.0 . . . . ? C1K C2K C3K C8K 180.0 . . . . ? C2K C1K C5K Rh11 63.95(19) . . . . ? C2K C1K C5K C4K 0.0 . . . . ? C2K C1K C5K C10K 180.0 . . . . ? C2K C3K C4K Rh11 -60.09(18) . . . . ? C2K C3K C4K C5K 0.0 . . . . ? C2K C3K C4K C9K 180.0 . . . . ? C3K C4K C5K Rh11 -62.1(2) . . . . ? C3K C4K C5K C1K 0.0 . . . . ? C3K C4K C5K C10K 180.0 . . . . ? C5K C1K C2K Rh11 -63.0(2) . . . . ? C5K C1K C2K C3K 0.0 . . . . ? C5K C1K C2K C7K 180.0 . . . . ? C6K C1K C2K Rh11 117.0(2) . . . . ? C6K C1K C2K C3K -180.0 . . . . ? C6K C1K C2K C7K 0.0 . . . . ? C6K C1K C5K Rh11 -116.05(19) . . . . ? C6K C1K C5K C4K -180.0 . . . . ? C6K C1K C5K C10K 0.0 . . . . ? C7K C2K C3K Rh11 119.38(19) . . . . ? C7K C2K C3K C4K 180.0 . . . . ? C7K C2K C3K C8K 0.0 . . . . ? C8K C3K C4K Rh11 119.90(18) . . . . ? C8K C3K C4K C5K -180.0 . . . . ? C8K C3K C4K C9K 0.0 . . . . ? C9K C4K C5K Rh11 117.90(19) . . . . ? C9K C4K C5K C1K -180.0 . . . . ? C9K C4K C5K C10K 0.0 . . . . ? C11K C12K C13K Rh11 -61.1(2) . . . . ? C11K C12K C13K C14K 0.0 . . . . ? C11K C12K C13K C18K 180.0 . . . . ? C12K C11K C15K Rh11 60.57(19) . . . . ? C12K C11K C15K C14K 0.0 . . . . ? C12K C11K C15K C20K -180.0 . . . . ? C12K C13K C14K Rh11 -63.12(19) . . . . ? C12K C13K C14K C15K 0.0 . . . . ? C12K C13K C14K C19K 180.0 . . . . ? C13K C14K C15K Rh11 -62.8(2) . . . . ? C13K C14K C15K C11K 0.0 . . . . ? C13K C14K C15K C20K 180.0 . . . . ? C15K C11K C12K Rh11 -59.5(2) . . . . ? C15K C11K C12K C13K 0.0 . . . . ? C15K C11K C12K C17K -180.0 . . . . ? C16K C11K C12K Rh11 120.4(2) . . . . ? C16K C11K C12K C13K 180.0 . . . . ? C16K C11K C12K C17K 0.0 . . . . ? C16K C11K C15K Rh11 -119.39(18) . . . . ? C16K C11K C15K C14K -180.0 . . . . ? C16K C11K C15K C20K 0.0 . . . . ? C17K C12K C13K Rh11 118.9(2) . . . . ? C17K C12K C13K C14K 180.0 . . . . ? C17K C12K C13K C18K 0.0 . . . . ? C18K C13K C14K Rh11 116.92(19) . . . . ? C18K C13K C14K C15K -180.0 . . . . ? C18K C13K C14K C19K 0.0 . . . . ? C19K C14K C15K Rh11 117.2(2) . . . . ? C19K C14K C15K C11K -180.0 . . . . ? C19K C14K C15K C20K 0.0 . . . . ? C1L C2L C3L Rh12 -63.1(8) . . . . ? C1L C2L C3L C4L 0.9(12) . . . . ? C1L C2L C3L C8L -177.2(14) . . . . ? C2L C1L C5L Rh12 63.7(9) . . . . ? C2L C1L C5L C4L 3(2) . . . . ? C2L C1L C5L C10L -178.8(15) . . . . ? C2L C3L C4L Rh12 -61.3(7) . . . . ? C2L C3L C4L C5L 0.9(15) . . . . ? C2L C3L C4L C9L -176.6(16) . . . . ? C3L C4L C5L Rh12 -61.2(10) . . . . ? C3L C4L C5L C1L -3(2) . . . . ? C3L C4L C5L C10L -180(2) . . . . ? C5L C1L C2L Rh12 -63.7(10) . . . . ? C5L C1L C2L C3L -2.2(14) . . . . ? C5L C1L C2L C7L 173.0(14) . . . . ? C6L C1L C2L Rh12 128.0(15) . . . . ? C6L C1L C2L C3L -170.4(14) . . . . ? C6L C1L C2L C7L 5(2) . . . . ? C6L C1L C5L Rh12 -132(2) . . . . ? C6L C1L C5L C4L 168(2) . . . . ? C6L C1L C5L C10L -15(3) . . . . ? C7L C2L C3L Rh12 121.6(13) . . . . ? C7L C2L C3L C4L -174.4(13) . . . . ? C7L C2L C3L C8L 7(2) . . . . ? C8L C3L C4L Rh12 117.0(14) . . . . ? C8L C3L C4L C5L 179.1(15) . . . . ? C8L C3L C4L C9L 2(2) . . . . ? C9L C4L C5L Rh12 115(3) . . . . ? C9L C4L C5L C1L 174(2) . . . . ? C9L C4L C5L C10L -3(4) . . . . ? C1 N1 C14 C9 -0.6(7) . . . . ? C1 N1 C14 C13 175.7(9) . . . . ? C1 N4 C9 C10 -175.7(8) . . . . ? C1 N4 C9 C14 0.8(7) . . . . ? C2 N2 C3 C4 -173.1(9) . . . . ? C2 N2 C3 C8 0.0(7) . . . . ? C2 N3 C8 C3 -1.8(7) . . . . ? C2 N3 C8 C7 175.6(8) . . . . ? C3 N2 C2 N3 -1.2(7) . . . . ? C3 N2 C2 C1 166.5(6) . . . . ? C3 C4 C5 C6 4.0(16) . . . . ? C4 C3 C8 N3 174.7(8) . . . . ? C4 C3 C8 C7 -3.0(12) . . . . ? C4 C5 C6 C7 -3.0(17) . . . . ? C5 C6 C7 C8 -1.0(15) . . . . ? C6 C7 C8 N3 -173.2(8) . . . . ? C6 C7 C8 C3 3.9(12) . . . . ? C8 N3 C2 N2 1.9(7) . . . . ? C8 N3 C2 C1 -166.0(6) . . . . ? C8 C3 C4 C5 -1.2(15) . . . . ? C9 N4 C1 N1 -1.3(7) . . . . ? C9 N4 C1 C2 166.5(6) . . . . ? C9 C10 C11 C12 1.4(14) . . . . ? C10 C9 C14 N1 176.7(7) . . . . ? C10 C9 C14 C13 -0.3(11) . . . . ? C10 C11 C12 C13 -4.4(15) . . . . ? C11 C12 C13 C14 4.9(14) . . . . ? C12 C13 C14 N1 -178.7(9) . . . . ? C12 C13 C14 C9 -2.6(12) . . . . ? C14 N1 C1 N4 1.3(8) . . . . ? C14 N1 C1 C2 -166.4(6) . . . . ? C14 C9 C10 C11 0.8(12) . . . . ? C15 N5 C28 C23 -10.6(17) . . . . ? C15 N5 C28 C27 -172(2) . . . . ? C15 N5 C28' C23' 14.1(15) . . . . ? C15 N5 C28' C27' -172(3) . . . . ? C15 N8 C23 C24 -169.0(19) . . . . ? C15 N8 C23 C28 -10.1(12) . . . . ? C15 N8 C23' C24' 159.8(17) . . . . ? C15 N8 C23' C28' 6.7(15) . . . . ? C16 N6 C17 C18 174.4(11) . . . . ? C16 N6 C17 C22 -0.8(9) . . . . ? C16 N7 C22 C17 -0.3(9) . . . . ? C16 N7 C22 C21 -176.4(10) . . . . ? C17 N6 C16 N7 0.7(9) . . . . ? C17 N6 C16 C15 -167.7(7) . . . . ? C17 C18 C19 C20 7(2) . . . . ? C18 C17 C22 N7 -175.0(10) . . . . ? C18 C17 C22 C21 1.3(16) . . . . ? C18 C19 C20 C21 -4(3) . . . . ? C19 C20 C21 C22 0(2) . . . . ? C20 C21 C22 N7 176.9(11) . . . . ? C20 C21 C22 C17 1.4(16) . . . . ? C22 N7 C16 N6 -0.3(9) . . . . ? C22 N7 C16 C15 167.6(7) . . . . ? C22 C17 C18 C19 -4.9(17) . . . . ? C23 N8 C15 N5 4.5(10) . . . . ? C23 N8 C15 C16 -166.9(8) . . . . ? C23 C24 C25 C26 11(5) . . . . ? C24 C23 C28 N5 173(2) . . . . ? C24 C23 C28 C27 -24(3) . . . . ? C25 C26 C27 C28 16(5) . . . . ? C26 C27 C28 N5 162(4) . . . . ? C26 C27 C28 C23 1(5) . . . . ? C28 N5 C15 N8 3.5(12) . . . . ? C28 N5 C15 C16 174.6(11) . . . . ? C28 C23 C24 C25 16(4) . . . . ? C23' N8 C15 N5 4.5(10) . . . . ? C23' N8 C15 C16 -166.9(8) . . . . ? C23' C24' C25' C26' 0(4) . . . . ? C24' C23' C28' N5 -173.0(12) . . . . ? C24' C23' C28' C27' 12(3) . . . . ? C24' C25' C26' C27' 23(5) . . . . ? C25' C26' C27' C28' -25(4) . . . . ? C26' C27' C28' N5 -167(3) . . . . ? C26' C27' C28' C23' 6(4) . . . . ? C28' N5 C15 N8 -13.3(13) . . . . ? C28' N5 C15 C16 157.8(11) . . . . ? C28' C23' C24' C25' -14(3) . . . . ? C29 N9 C42 C37 0.2(7) . . . . ? C29 N9 C42 C41 -172.8(9) . . . . ? C29 N12 C37 C38 174.5(9) . . . . ? C29 N12 C37 C42 -0.2(7) . . . . ? C30 N10 C31 C32 178.0(9) . . . . ? C30 N10 C31 C36 0.3(8) . . . . ? C30 N11 C36 C31 0.5(7) . . . . ? C30 N11 C36 C35 -177.0(8) . . . . ? C31 N10 C30 N11 0.0(8) . . . . ? C31 N10 C30 C29 -167.3(6) . . . . ? C31 C32 C33 C34 -2.9(17) . . . . ? C32 C31 C36 N11 -178.4(7) . . . . ? C32 C31 C36 C35 -0.7(12) . . . . ? C32 C33 C34 C35 2.8(19) . . . . ? C33 C34 C35 C36 -1.4(16) . . . . ? C34 C35 C36 N11 177.5(8) . . . . ? C34 C35 C36 C31 0.4(13) . . . . ? C36 N11 C30 N10 -0.3(8) . . . . ? C36 N11 C30 C29 167.4(6) . . . . ? C36 C31 C32 C33 1.9(13) . . . . ? C37 N12 C29 N9 0.4(7) . . . . ? C37 N12 C29 C30 -168.2(6) . . . . ? C37 C38 C39 C40 -2(2) . . . . ? C38 C37 C42 N9 -175.6(7) . . . . ? C38 C37 C42 C41 -1.9(12) . . . . ? C38 C39 C40 C41 2(2) . . . . ? C39 C40 C41 C42 -2.0(19) . . . . ? C40 C41 C42 N9 174.2(10) . . . . ? C40 C41 C42 C37 1.9(14) . . . . ? C42 N9 C29 N12 -0.4(8) . . . . ? C42 N9 C29 C30 168.6(6) . . . . ? C42 C37 C38 C39 2.0(14) . . . . ? C43 N13 C56 C51 0.4(6) . . . . ? C43 N13 C56 C55 -178.2(7) . . . . ? C43 N16 C51 C52 179.0(7) . . . . ? C43 N16 C51 C56 1.3(6) . . . . ? C44 N14 C45 C46 176.8(8) . . . . ? C44 N14 C45 C50 0.1(7) . . . . ? C44 N15 C50 C45 -1.1(7) . . . . ? C44 N15 C50 C49 -176.0(9) . . . . ? C45 N14 C44 N15 -0.9(8) . . . . ? C45 N14 C44 C43 -172.1(6) . . . . ? C45 C46 C47 C48 1.3(15) . . . . ? C46 C45 C50 N15 -176.5(7) . . . . ? C46 C45 C50 C49 -0.9(12) . . . . ? C46 C47 C48 C49 -4.5(18) . . . . ? C47 C48 C49 C50 5.0(17) . . . . ? C48 C49 C50 N15 172.0(10) . . . . ? C48 C49 C50 C45 -2.4(15) . . . . ? C50 N15 C44 N14 1.3(8) . . . . ? C50 N15 C44 C43 172.4(6) . . . . ? C50 C45 C46 C47 1.4(12) . . . . ? C51 N16 C43 N13 -1.2(8) . . . . ? C51 N16 C43 C44 -174.7(6) . . . . ? C51 C52 C53 C54 2.1(12) . . . . ? C52 C51 C56 N13 -179.1(6) . . . . ? C52 C51 C56 C55 -0.3(9) . . . . ? C52 C53 C54 C55 -1.5(13) . . . . ? C53 C54 C55 C56 -0.1(12) . . . . ? C54 C55 C56 N13 179.5(7) . . . . ? C54 C55 C56 C51 0.9(10) . . . . ? C56 N13 C43 N16 0.5(8) . . . . ? C56 N13 C43 C44 173.8(6) . . . . ? C56 C51 C52 C53 -1.2(11) . . . . ? C21I N17 C70 C65 -2.4(7) . . . . ? C21I N17 C70 C69 178.0(8) . . . . ? C21I N20 C65 C66 178.6(9) . . . . ? C21I N20 C65 C70 -1.9(8) . . . . ? C58 N18 C59 C60 178.2(8) . . . . ? C58 N18 C59 C64 -1.2(7) . . . . ? C58 N19 C64 C59 -0.3(7) . . . . ? C58 N19 C64 C63 -179.0(9) . . . . ? C59 N18 C58 N19 1.2(7) . . . . ? C59 N18 C58 C21I -170.9(5) . . . . ? C59 C60 C61 C62 -3.9(15) . . . . ? C60 C59 C64 N19 -178.4(7) . . . . ? C60 C59 C64 C63 0.4(12) . . . . ? C60 C61 C62 C63 2.6(19) . . . . ? C61 C62 C63 C64 0.4(19) . . . . ? C62 C63 C64 N19 176.6(10) . . . . ? C62 C63 C64 C59 -1.9(15) . . . . ? C64 N19 C58 N18 -0.6(7) . . . . ? C64 N19 C58 C21I 171.3(5) . . . . ? C64 C59 C60 C61 2.5(12) . . . . ? C65 N20 C21I N17 0.4(8) . . . . ? C65 N20 C21I C58 -172.0(6) . . . . ? C65 C66 C67 C68 4.9(18) . . . . ? C66 C65 C70 N17 -177.6(7) . . . . ? C66 C65 C70 C69 2.0(13) . . . . ? C66 C67 C68 C69 -4(2) . . . . ? C67 C68 C69 C70 2.2(17) . . . . ? C68 C69 C70 N17 178.3(9) . . . . ? C68 C69 C70 C65 -1.2(14) . . . . ? C70 N17 C21I N20 1.3(8) . . . . ? C70 N17 C21I C58 173.6(6) . . . . ? C70 C65 C66 C67 -3.7(14) . . . . ? C71 N21 C84 C79 -0.9(9) . . . . ? C71 N21 C84 C83 -178.5(11) . . . . ? C71 N24 C79 C80 -177.6(11) . . . . ? C71 N24 C79 C84 1.5(8) . . . . ? C72 N22 C73 C74 176.9(10) . . . . ? C72 N22 C73 C78 -0.6(9) . . . . ? C72 N23 C78 C73 0.8(9) . . . . ? C72 N23 C78 C77 -178.6(10) . . . . ? C73 N22 C72 N23 1.2(9) . . . . ? C73 N22 C72 C71 -172.4(7) . . . . ? C73 C74 C75 C76 2.2(19) . . . . ? C74 C73 C78 N23 -178.0(8) . . . . ? C74 C73 C78 C77 1.4(15) . . . . ? C74 C75 C76 C77 -4(2) . . . . ? C75 C76 C77 C78 4.1(18) . . . . ? C76 C77 C78 N23 176.2(11) . . . . ? C76 C77 C78 C73 -3.0(17) . . . . ? C78 N23 C72 N22 -1.3(9) . . . . ? C78 N23 C72 C71 172.2(7) . . . . ? C78 C73 C74 C75 -0.8(15) . . . . ? C79 N24 C71 N21 -2.4(10) . . . . ? C79 N24 C71 C72 -175.1(7) . . . . ? C79 C80 C81 C82 2(2) . . . . ? C80 C79 C84 N21 178.9(8) . . . . ? C80 C79 C84 C83 -3.1(13) . . . . ? C80 C81 C82 C83 2(2) . . . . ? C81 C82 C83 C84 -7(2) . . . . ? C82 C83 C84 N21 -175.5(11) . . . . ? C82 C83 C84 C79 7.1(17) . . . . ? C84 N21 C71 N24 2.1(9) . . . . ? C84 N21 C71 C72 174.8(7) . . . . ? C84 C79 C80 C81 -1.2(16) . . . . ? C85 N25 C89 C88 -1.9(10) . . . . ? C85 C86 C87 C88 2.1(10) . . . . ? C85 C86 C87 C90 -176.0(6) . . . . ? C86 C87 C88 C89 -4.0(10) . . . . ? C86 C87 C90 N26 -154.1(7) . . . . ? C86 C87 C90 O1 25.6(10) . . . . ? C87 C88 C89 N25 4.0(11) . . . . ? C88 C87 C90 N26 27.9(10) . . . . ? C88 C87 C90 O1 -152.4(7) . . . . ? C89 N25 C85 C86 -0.1(11) . . . . ? C90 N26 C91 C92 97.7(8) . . . . ? C90 C87 C88 C89 174.0(7) . . . . ? C91 N26 C90 O1 5.2(12) . . . . ? C91 N26 C90 C87 -175.0(6) . . . . ? C91 C92 C93 C94 -179.5(6) . . . . ? C91 C92 C97 C96 179.5(6) . . . . ? C92 C93 C94 C95 -2.0(11) . . . . ? C93 C92 C97 C96 -1.4(9) . . . . ? C93 C94 C95 C96 2.5(11) . . . . ? C93 C94 C95 C98 179.5(7) . . . . ? C94 C95 C96 C97 -2.4(11) . . . . ? C94 C95 C98 N27 -53.3(10) . . . . ? C95 C96 C97 C92 2.0(10) . . . . ? C96 C95 C98 N27 123.6(8) . . . . ? C97 C92 C93 C94 1.5(10) . . . . ? C98 N27 C99 O2 -2.6(13) . . . . ? C98 N27 C99 C102 179.4(7) . . . . ? C98 C95 C96 C97 -179.4(7) . . . . ? C99 N27 C98 C95 99.9(9) . . . . ? C99 C102 C103 C104 174.5(8) . . . . ? C100 N28 C104 C103 -2.5(12) . . . . ? C100 C101 C102 C99 -177.1(7) . . . . ? C100 C101 C102 C103 1.7(11) . . . . ? C101 C102 C103 C104 -4.2(12) . . . . ? C102 C103 C104 N28 4.8(13) . . . . ? C104 N28 C100 C101 -0.3(11) . . . . ? C105 N29 C109 C108 -0.8(10) . . . . ? C105 C106 C107 C108 -0.4(10) . . . . ? C105 C106 C107 C110 175.7(6) . . . . ? C106 C107 C108 C109 -0.3(10) . . . . ? C106 C107 C110 N30 28.4(10) . . . . ? C106 C107 C110 O3 -148.9(7) . . . . ? C107 C108 C109 N29 0.9(11) . . . . ? C108 C107 C110 N30 -155.5(7) . . . . ? C108 C107 C110 O3 27.1(10) . . . . ? C109 N29 C105 C106 0.1(10) . . . . ? C110 N30 C111 C112 95.3(8) . . . . ? C110 C107 C108 C109 -176.6(6) . . . . ? C111 N30 C110 O3 5.8(11) . . . . ? C111 N30 C110 C107 -171.5(6) . . . . ? C111 C112 C113 C114 -179.0(8) . . . . ? C111 C112 C117 C116 178.5(7) . . . . ? C112 C113 C114 C115 1.9(13) . . . . ? C113 C112 C117 C116 2.4(11) . . . . ? C113 C114 C115 C116 -0.2(13) . . . . ? C113 C114 C115 C118 178.8(8) . . . . ? C114 C115 C116 C117 -0.4(11) . . . . ? C114 C115 C118 N31 -51.6(11) . . . . ? C115 C116 C117 C112 -0.8(12) . . . . ? C116 C115 C118 N31 127.3(8) . . . . ? C117 C112 C113 C114 -3.0(11) . . . . ? C118 N31 C119 O4 -2.0(11) . . . . ? C118 N31 C119 C122 -179.2(6) . . . . ? C118 C115 C116 C117 -179.4(7) . . . . ? C119 N31 C118 C115 97.6(9) . . . . ? C119 C122 C123 C124 175.7(7) . . . . ? C120 N32 C124 C123 -1.3(10) . . . . ? C120 C121 C122 C119 -176.9(7) . . . . ? C120 C121 C122 C123 0.6(11) . . . . ? C121 C122 C123 C124 -1.6(11) . . . . ? C122 C123 C124 N32 2.0(11) . . . . ? C124 N32 C120 C121 0.3(10) . . . . ? C125 N33 C129 C128 -1.1(9) . . . . ? C125 C126 C127 C128 0.1(9) . . . . ? C125 C126 C127 C130 -177.2(6) . . . . ? C126 C127 C128 C129 -3.0(10) . . . . ? C126 C127 C130 N34 -154.1(6) . . . . ? C126 C127 C130 O5 27.3(9) . . . . ? C127 C128 C129 N33 3.6(10) . . . . ? C128 C127 C130 N34 28.6(9) . . . . ? C128 C127 C130 O5 -150.0(7) . . . . ? C129 N33 C125 C126 -2.0(9) . . . . ? C130 N34 C131 C132 100.5(9) . . . . ? C130 C127 C128 C129 174.3(6) . . . . ? C131 N34 C130 O5 5.2(11) . . . . ? C131 N34 C130 C127 -173.3(6) . . . . ? C131 C132 C133 C134 179.2(7) . . . . ? C131 C132 C137 C136 176.3(8) . . . . ? C132 C133 C134 C135 3.4(13) . . . . ? C133 C132 C137 C136 -4.8(11) . . . . ? C133 C134 C135 C136 -2.8(12) . . . . ? C133 C134 C135 C138 178.9(8) . . . . ? C134 C135 C136 C137 -1.6(12) . . . . ? C134 C135 C138 N35 -51.5(11) . . . . ? C135 C136 C137 C132 5.5(13) . . . . ? C136 C135 C138 N35 130.2(8) . . . . ? C137 C132 C133 C134 0.2(11) . . . . ? C138 N35 C139 O6 0.9(15) . . . . ? C138 N35 C139 C142 -178.7(8) . . . . ? C138 C135 C136 C137 176.8(8) . . . . ? C139 N35 C138 C135 96.2(10) . . . . ? C139 C142 C143 C144 176.2(8) . . . . ? C140 N36 C144 C143 0.6(11) . . . . ? C140 C141 C142 C139 -178.2(8) . . . . ? C140 C141 C142 C143 -0.4(12) . . . . ? C141 C142 C143 C144 -1.4(12) . . . . ? C142 C143 C144 N36 1.4(13) . . . . ? C144 N36 C140 C141 -2.5(12) . . . . ? C145 N37 C149 C148 1.4(10) . . . . ? C145 C146 C147 C148 1.4(11) . . . . ? C145 C146 C147 C150 177.5(6) . . . . ? C146 C147 C148 C149 0.2(11) . . . . ? C146 C147 C150 N38 151.0(7) . . . . ? C146 C147 C150 O7 -26.9(10) . . . . ? C147 C148 C149 N37 -1.6(11) . . . . ? C148 C147 C150 N38 -33.1(11) . . . . ? C148 C147 C150 O7 149.0(8) . . . . ? C149 N37 C145 C146 0.3(11) . . . . ? C150 N38 C151 C152 96.2(9) . . . . ? C150 C147 C148 C149 -175.6(7) . . . . ? C151 N38 C150 O7 -0.1(12) . . . . ? C151 N38 C150 C147 -178.0(7) . . . . ? C151 C152 C153 C154 -176.6(7) . . . . ? C151 C152 C157 C156 179.4(7) . . . . ? C152 C153 C154 C155 -3.2(12) . . . . ? C153 C152 C157 C156 -0.5(10) . . . . ? C153 C154 C155 C156 0.2(11) . . . . ? C153 C154 C155 C158 -177.8(7) . . . . ? C154 C155 C156 C157 2.6(10) . . . . ? C154 C155 C158 N39 -115.6(7) . . . . ? C155 C156 C157 C152 -2.4(11) . . . . ? C156 C155 C158 N39 66.4(8) . . . . ? C157 C152 C153 C154 3.3(11) . . . . ? C158 N39 C159 O8 -2.7(13) . . . . ? C158 N39 C159 C162 173.2(7) . . . . ? C158 C155 C156 C157 -179.4(6) . . . . ? C159 N39 C158 C155 -98.7(8) . . . . ? C159 C162 C163 C164 -172.2(7) . . . . ? C160 N40 C164 C163 2.7(12) . . . . ? C160 C161 C162 C159 176.3(7) . . . . ? C160 C161 C162 C163 -1.4(11) . . . . ? C161 C162 C163 C164 5.5(12) . . . . ? C162 C163 C164 N40 -6.3(13) . . . . ? C164 N40 C160 C161 1.6(12) . . . . ? C165 N41 C169 C168 1.2(12) . . . . ? C165 C166 C167 C168 3.2(13) . . . . ? C165 C166 C167 C170 177.8(7) . . . . ? C166 C167 C168 C169 -1.3(12) . . . . ? C166 C167 C170 N42 151.8(7) . . . . ? C166 C167 C170 O9 -26.8(10) . . . . ? C167 C168 C169 N41 -1.0(13) . . . . ? C168 C167 C170 N42 -34.0(11) . . . . ? C168 C167 C170 O9 147.5(8) . . . . ? C169 N41 C165 C166 0.8(12) . . . . ? C170 N42 C171 C172 96.0(9) . . . . ? C170 C167 C168 C169 -175.4(7) . . . . ? C171 N42 C170 O9 1.9(12) . . . . ? C171 N42 C170 C167 -176.6(7) . . . . ? C171 C172 C173 C174 178.8(7) . . . . ? C171 C172 C177 C176 -174.9(7) . . . . ? C172 C173 C174 C175 -3.7(12) . . . . ? C173 C172 C177 C176 3.3(10) . . . . ? C173 C174 C175 C176 2.9(10) . . . . ? C173 C174 C175 C178 -179.8(7) . . . . ? C174 C175 C176 C177 0.9(10) . . . . ? C174 C175 C178 N43 69.5(8) . . . . ? C175 C176 C177 C172 -4.1(10) . . . . ? C176 C175 C178 N43 -113.4(7) . . . . ? C177 C172 C173 C174 0.7(11) . . . . ? C178 N43 C179 O10 -3.1(10) . . . . ? C178 N43 C179 C182 172.2(6) . . . . ? C178 C175 C176 C177 -176.3(6) . . . . ? C179 N43 C178 C175 -102.0(8) . . . . ? C179 C182 C183 C184 -173.6(6) . . . . ? C180 N44 C184 C183 2.8(11) . . . . ? C180 C181 C182 C179 175.1(6) . . . . ? C180 C181 C182 C183 -0.4(9) . . . . ? C181 C182 C183 C184 1.8(10) . . . . ? C182 C183 C184 N44 -3.1(12) . . . . ? C184 N44 C180 C181 -1.2(10) . . . . ? C185 N45 C189 C188 -4.7(13) . . . . ? C185 C186 C187 C188 3.2(12) . . . . ? C185 C186 C187 C190 -179.8(7) . . . . ? C186 C187 C188 C189 -2.1(12) . . . . ? C186 C187 C190 N46 151.4(7) . . . . ? C186 C187 C190 O11 -31.4(10) . . . . ? C187 C188 C189 N45 3.0(13) . . . . ? C188 C187 C190 N46 -31.7(11) . . . . ? C188 C187 C190 O11 145.5(8) . . . . ? C189 N45 C185 C186 5.9(12) . . . . ? C190 N46 C191 C192 94.0(9) . . . . ? C190 C187 C188 C189 -178.8(7) . . . . ? C191 N46 C190 O11 4.7(12) . . . . ? C191 N46 C190 C187 -178.3(7) . . . . ? C191 C192 C193 C194 178.6(8) . . . . ? C191 C192 C197 C196 -179.6(8) . . . . ? C192 C193 C194 C195 -2.8(13) . . . . ? C193 C192 C197 C196 -5.2(13) . . . . ? C193 C194 C195 C196 2.1(12) . . . . ? C193 C194 C195 C198 -179.9(7) . . . . ? C194 C195 C196 C197 -2.9(12) . . . . ? C194 C195 C198 N47 67.7(8) . . . . ? C195 C196 C197 C192 4.5(13) . . . . ? C196 C195 C198 N47 -114.4(7) . . . . ? C197 C192 C193 C194 4.2(13) . . . . ? C198 N47 C199 O12 -2.8(10) . . . . ? C198 N47 C199 C202 170.5(6) . . . . ? C198 C195 C196 C197 179.2(7) . . . . ? C199 N47 C198 C195 -100.0(7) . . . . ? C199 C202 C203 C204 -173.7(6) . . . . ? C200 N48 C204 C203 4.1(9) . . . . ? C200 C201 C202 C199 175.1(6) . . . . ? C200 C201 C202 C203 -2.1(9) . . . . ? C201 C202 C203 C204 3.5(9) . . . . ? C202 C203 C204 N48 -4.7(10) . . . . ? C204 N48 C200 C201 -2.7(9) . . . . ? O25 S5 C329 F13 -59.6(10) . . . . ? O25 S5 C329 F14 61.9(8) . . . . ? O25 S5 C329 F15 -177.2(9) . . . . ? O26 S5 C329 F13 60.0(10) . . . . ? O26 S5 C329 F14 -178.5(8) . . . . ? O26 S5 C329 F15 -57.6(10) . . . . ? O27 S5 C329 F13 176.3(9) . . . . ? O27 S5 C329 F14 -62.2(8) . . . . ? O27 S5 C329 F15 58.8(9) . . . . ? O28 S6 C330 F16 -49.1(10) . . . . ? O28 S6 C330 F17 65.8(10) . . . . ? O28 S6 C330 F18 -173.3(9) . . . . ? O29 S6 C330 F16 70.1(10) . . . . ? O29 S6 C330 F17 -175.0(10) . . . . ? O29 S6 C330 F18 -54.1(11) . . . . ? O30 S6 C330 F16 179.9(10) . . . . ? O30 S6 C330 F17 -65.2(11) . . . . ? O30 S6 C330 F18 55.7(11) . . . . ? S1 C325 F2 F3 99(2) . . . . ? S1 C325 F3 F2 -114.7(14) . . . . ? O34 S8 C332 F22 55.1(14) . . . . ? O34 S8 C332 F23 174.5(15) . . . . ? O34 S8 C332 F24 -61.8(15) . . . . ? O35 S8 C332 F22 170.0(14) . . . . ? O35 S8 C332 F23 -70.7(18) . . . . ? O35 S8 C332 F24 53.0(16) . . . . ? O36 S8 C332 F22 -68.5(14) . . . . ? O36 S8 C332 F23 50.8(18) . . . . ? O36 S8 C332 F24 174.5(14) . . . . ? F1 C325 F2 F3 -127(3) . . . . ? F1 C325 F3 F2 115(3) . . . . ?