Supplementary Material (ESI) for Chemical Communications This journal is © The Royal Society of Chemistry 2002 data_ag _database_code_CSD 178360 _journal_coden_Cambridge 182 _publ_requested_journal 'Chemical Communications' loop_ _publ_author_name 'Jin, Xianglin' 'Tang, Kaluo' 'Xie, Xiangjin' 'Zhang, Yaohua' 'Zhao, Xia' _publ_contact_author_name 'Prof Xianglin Jin' _publ_contact_author_address ; Chemistry Peking University Chemistry Department, Peking Univer Bejing 100871 CHINA ; _publ_contact_author_email 'JT1939@PKU.EDU.CN' _publ_section_title ; Synthesis and crystal structure of a novel pentaconta-nuclear silver anionic cluster complex [HNEt3]4[Ag50S7(SC6H4But-4)40]¡¤2CS2¡¤6C3H6O ; _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C444 H620 Ag50 N4 O6 S51' _chemical_formula_weight 13138.00 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'C' 'C' 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'H' 'H' 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'O' 'O' 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'S' 'S' 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Ag' 'Ag' -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'N' 'N' 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting 'Monoclinic' _symmetry_space_group_name_H-M 'C 2/c' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y, -z+1/2' 'x+1/2, y+1/2, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y, z-1/2' '-x+1/2, -y+1/2, -z' 'x+1/2, -y+1/2, z-1/2' _cell_length_a 36.486(7) _cell_length_b 36.666(7) _cell_length_c 40.702(8) _cell_angle_alpha 90.00 _cell_angle_beta 95.21(3) _cell_angle_gamma 90.00 _cell_volume 54226(19) _cell_formula_units_Z 4 _cell_measurement_temperature 123(2) _cell_measurement_reflns_used 148864 _cell_measurement_theta_min 0.79 _cell_measurement_theta_max 27.48 _exptl_crystal_description 'Block' _exptl_crystal_colour 'Red' _exptl_crystal_size_max 0.80 _exptl_crystal_size_mid 0.60 _exptl_crystal_size_min 0.40 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.609 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 26104 _exptl_absorpt_coefficient_mu 1.998 _exptl_absorpt_correction_type 'Empirical' _exptl_absorpt_correction_T_min 0.1582 _exptl_absorpt_correction_T_max 0.4497 _exptl_absorpt_process_details ? _exptl_special_details ; ABSCOR by T.Higashi 8 March, 1995 ; _diffrn_ambient_temperature 123(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type 'MoK\a' _diffrn_radiation_source 'Fine-focus sealed tube' _diffrn_radiation_monochromator 'Graphite' _diffrn_measurement_device_type 'Rigaku RAXIS RAPID IP' _diffrn_measurement_method 'Oscillation' _diffrn_detector_area_resol_mean '100x100 microns' _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 148864 _diffrn_reflns_av_R_equivalents 0.0993 _diffrn_reflns_av_sigmaI/netI 0.3603 _diffrn_reflns_limit_h_min -43 _diffrn_reflns_limit_h_max 43 _diffrn_reflns_limit_k_min -43 _diffrn_reflns_limit_k_max 43 _diffrn_reflns_limit_l_min -48 _diffrn_reflns_limit_l_max 48 _diffrn_reflns_theta_min 0.79 _diffrn_reflns_theta_max 25.00 _reflns_number_total 44541 _reflns_number_gt 11821 _reflns_threshold_expression >2sigma(I) _computing_data_collection ; Molecular Structure Corporation (1994) MSC/AFC Diffractometer Control Software MSC, 3200 Research Forest Drive, The Woodlands, TX 77381, USA. ; _computing_cell_refinement ; Molecular Structure Corporation (1994) MSC/AFC Diffractometer Control Software MSC, 3200 Research Forest Drive, The Woodlands, TX 77381 USA. ; _computing_data_reduction ;Sheldrick, G. M. (1997) SHELXS97, Program for the Solution of Crystal Structure, University of Gottingen, Germany. ; _computing_structure_solution ; Sheldrick, G. M. (1997) SHELXS97, Program for the Solution of Crystal Structure, University of Gottingen, Germany. ; _computing_structure_refinement ; Sheldrick, G. M. (1997) SHELXL97, Program for the Refinement of Crystal Structure, University of Gottingen, Germany. ; _computing_molecular_graphics ; Interactive Molecular Graphics XP, Virsion 4.2 for MSDOS (1990), Siemens Analytical X-ray Instruments Inc., Madison, Wisconsin, USA. ; _computing_publication_material ; Sheldrick, G. M. (1997) SHELXL97, Program for the refinement of Crystal Structure, University of Gottingen, Germany. ; _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef 'Fsqd' _refine_ls_matrix_type 'fullcycle' _refine_ls_weighting_scheme 'calc' _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.1243P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary 'direct' _atom_sites_solution_secondary 'difmap' _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment mixed _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 44541 _refine_ls_number_parameters 1751 _refine_ls_number_restraints 111 _refine_ls_R_factor_all 0.2694 _refine_ls_R_factor_gt 0.0969 _refine_ls_wR_factor_ref 0.2907 _refine_ls_wR_factor_gt 0.2331 _refine_ls_goodness_of_fit_ref 0.813 _refine_ls_restrained_S_all 0.813 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0.000 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_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Ag1 Ag 0.54858(4) 0.46774(4) 0.24156(4) 0.0691(5) Uani 1 1 d . . . Ag2 Ag 0.63710(5) 0.44254(5) 0.22952(4) 0.0712(5) Uani 1 1 d . . . Ag3 Ag 0.68568(5) 0.36267(5) 0.22467(5) 0.0827(6) Uani 1 1 d . . . Ag4 Ag 0.72285(5) 0.26976(5) 0.22740(5) 0.0890(6) Uani 1 1 d . . . Ag5 Ag 0.71619(4) 0.18814(4) 0.22182(3) 0.0629(5) Uani 1 1 d . . . Ag6 Ag 0.66380(5) 0.10345(4) 0.21323(4) 0.0746(5) Uani 1 1 d . . . Ag7 Ag 0.58228(5) 0.04453(4) 0.22562(5) 0.0904(6) Uani 1 1 d . . . Ag8 Ag 0.5000 0.01591(6) 0.2500 0.0909(9) Uani 1 2 d S . . Ag9 Ag 0.53157(5) 0.11809(4) 0.21167(4) 0.0756(5) Uani 1 1 d . . . Ag10 Ag 0.56574(6) 0.10833(7) 0.28392(4) 0.1279(9) Uani 1 1 d . . . Ag11 Ag 0.59577(5) 0.16396(5) 0.18906(4) 0.0811(5) Uani 1 1 d . . . Ag12 Ag 0.63325(5) 0.14997(5) 0.26826(4) 0.0818(6) Uani 1 1 d . . . Ag13 Ag 0.63379(5) 0.25139(4) 0.19422(4) 0.0744(5) Uani 1 1 d . . . Ag14 Ag 0.64921(6) 0.25669(5) 0.27643(5) 0.1126(8) Uani 1 1 d . . . Ag15 Ag 0.61102(6) 0.33225(4) 0.19014(4) 0.0798(6) Uani 1 1 d . . . Ag16 Ag 0.62267(5) 0.33390(4) 0.27073(4) 0.0773(5) Uani 1 1 d . . . Ag17 Ag 0.53227(4) 0.39168(5) 0.20689(4) 0.0683(5) Uani 1 1 d . . . Ag18 Ag 0.55299(4) 0.39131(5) 0.28609(4) 0.0686(5) Uani 1 1 d . . . Ag19 Ag 0.53037(6) 0.32049(5) 0.16597(4) 0.0982(7) Uani 1 1 d . . . Ag2A Ag 0.54320(9) 0.29742(7) 0.31890(5) 0.0821(9) Uani 0.754(4) 1 d P . . Ag2B Ag 0.5654(3) 0.3168(2) 0.31994(17) 0.0821(9) Uani 0.246(4) 1 d P . . Ag2C Ag 0.54617(7) 0.31729(7) 0.24111(6) 0.0579(6) Uani 0.619(2) 1 d P . . Ag2D Ag 0.52266(11) 0.28876(11) 0.24486(9) 0.0579(6) Uani 0.381(2) 1 d P . . Ag22 Ag 0.53830(7) 0.23649(5) 0.16467(4) 0.1057(7) Uani 1 1 d . . . Ag2E Ag 0.57330(11) 0.22571(9) 0.23919(9) 0.0696(7) Uani 0.464(2) 1 d P . . Ag2F Ag 0.54445(9) 0.23779(8) 0.24431(8) 0.0696(7) Uani 0.536(2) 1 d P . . Ag24 Ag 0.58633(9) 0.22307(6) 0.31591(5) 0.1472(11) Uani 1 1 d . . . Ag25 Ag 0.47425(6) 0.16853(7) 0.17359(4) 0.1174(8) Uani 1 1 d . . . Ag26 Ag 0.5000 0.17654(8) 0.2500 0.0840(8) Uani 1 2 d S . . S1 S 0.60575(15) 0.50035(14) 0.24297(12) 0.0624(15) Uani 1 1 d . . . S2 S 0.69757(15) 0.42543(15) 0.21005(13) 0.0690(16) Uani 1 1 d . . . S3 S 0.7718(2) 0.2259(2) 0.2221(3) 0.165(5) Uani 1 1 d D . . S4 S 0.72822(15) 0.11837(14) 0.22080(12) 0.0645(15) Uani 1 1 d . . . S5 S 0.5614(2) -0.01245(16) 0.24682(15) 0.090(2) Uani 1 1 d . . . S6 S 0.48604(14) 0.07060(12) 0.20565(11) 0.0536(13) Uani 1 1 d . . . S7 S 0.60325(16) 0.08823(14) 0.18435(12) 0.0670(15) Uani 1 1 d . . . S8 S 0.63043(18) 0.08163(16) 0.26964(13) 0.0839(19) Uani 1 1 d . . . S9 S 0.65559(14) 0.19126(13) 0.18166(10) 0.0524(13) Uani 1 1 d . . . S10 S 0.67879(13) 0.19807(13) 0.27264(10) 0.0488(12) Uani 1 1 d . . . S11 S 0.67782(16) 0.30822(14) 0.18411(12) 0.0669(16) Uani 1 1 d . . . S12 S 0.69876(15) 0.31211(15) 0.26761(12) 0.0703(16) Uani 1 1 d . . . S13 S 0.59414(13) 0.39687(12) 0.19071(10) 0.0467(12) Uani 1 1 d . . . S14 S 0.61834(13) 0.39854(12) 0.27945(11) 0.0489(12) Uani 1 1 d . . . S15 S 0.48850(13) 0.45153(13) 0.20840(11) 0.0542(13) Uani 1 1 d . . . S16 S 0.53312(15) 0.16841(14) 0.15201(12) 0.0648(15) Uani 1 1 d . . . S17 S 0.56522(14) 0.16616(14) 0.24369(11) 0.0546(13) Uani 1 1 d . . . S18 S 0.59143(15) 0.15958(15) 0.33120(12) 0.0682(16) Uani 1 1 d . . . S19 S 0.57809(15) 0.28383(14) 0.14457(11) 0.0646(15) Uani 1 1 d . . . S20 S 0.59678(14) 0.28297(14) 0.23519(11) 0.0585(15) Uani 1 1 d . . . S21 S 0.61652(16) 0.28450(14) 0.32494(11) 0.0680(16) Uani 1 1 d . . . S22 S 0.5000 0.35678(18) 0.2500 0.0558(19) Uani 1 2 d S . . S23 S 0.47549(15) 0.35993(14) 0.16158(12) 0.0641(15) Uani 1 1 d . . . S31 S 0.48729(19) 0.2450(2) 0.20251(12) 0.102(2) Uani 1 1 d . . . S32 S 0.4654(3) 0.2510(2) 0.1131(2) 0.153(3) Uani 1 1 d . . . S33 S 0.4481(3) 0.2552(3) 0.0361(2) 0.184(4) Uani 1 1 d . . . C11 C 0.6001(5) 0.5287(5) 0.2057(5) 0.062(5) Uiso 1 1 d . . . C12 C 0.6125(6) 0.5129(6) 0.1781(6) 0.087(7) Uiso 1 1 d . . . C13 C 0.6084(8) 0.5379(8) 0.1500(7) 0.121(10) Uiso 1 1 d . . . C14 C 0.5961(7) 0.5727(7) 0.1523(6) 0.093(7) Uiso 1 1 d . . . C15 C 0.5867(8) 0.5862(7) 0.1817(7) 0.127(10) Uiso 1 1 d . . . C16 C 0.5892(6) 0.5625(6) 0.2122(5) 0.084(7) Uiso 1 1 d . . . C17 C 0.5950(10) 0.5987(9) 0.1171(9) 0.153(12) Uiso 1 1 d . . . C18 C 0.6211(10) 0.5851(9) 0.0922(8) 0.162(13) Uiso 1 1 d . . . C19 C 0.6126(11) 0.6362(9) 0.1369(9) 0.185(15) Uiso 1 1 d . . . C20 C 0.5534(17) 0.6012(14) 0.1078(14) 0.32(3) Uiso 1 1 d . . . C21 C 0.7321(5) 0.4391(5) 0.2403(5) 0.050(5) Uani 1 1 d . . . C22 C 0.7605(8) 0.4569(7) 0.2317(5) 0.104(10) Uani 1 1 d . . . C23 C 0.7898(7) 0.4670(6) 0.2537(7) 0.094(8) Uani 1 1 d . . . C24 C 0.7875(7) 0.4599(5) 0.2872(6) 0.082(7) Uani 1 1 d . . . C25 C 0.7545(6) 0.4414(6) 0.2993(6) 0.088(7) Uani 1 1 d . . . C26 C 0.7264(6) 0.4329(5) 0.2735(6) 0.081(7) Uani 1 1 d . . . C27 C 0.8172(8) 0.4736(7) 0.3156(7) 0.107(8) Uiso 1 1 d . . . C28 C 0.7994(9) 0.5092(8) 0.3359(8) 0.151(12) Uiso 1 1 d . . . C29 C 0.8306(11) 0.4427(10) 0.3435(9) 0.192(15) Uiso 1 1 d . . . C30 C 0.8538(10) 0.4849(9) 0.2978(8) 0.168(13) Uiso 1 1 d . . . C31 C 0.7857(5) 0.2315(6) 0.1819(3) 0.172(14) Uiso 1 1 d GD . . C32 C 0.7608(4) 0.2439(6) 0.1565(4) 0.31(3) Uiso 1 1 d GD . . C33 C 0.7729(5) 0.2524(6) 0.1260(4) 0.186(15) Uiso 1 1 d GD . . C34 C 0.8099(5) 0.2486(5) 0.1210(4) 0.140(11) Uiso 1 1 d GD . . C35 C 0.8348(4) 0.2362(6) 0.1464(4) 0.199(16) Uiso 1 1 d GD . . C36 C 0.8227(5) 0.2277(6) 0.1769(4) 0.212(17) Uiso 1 1 d GD . . C37 C 0.8228(8) 0.2601(8) 0.0881(5) 0.155(12) Uiso 1 1 d D . . C38 C 0.8226(8) 0.2984(6) 0.0919(7) 0.146(11) Uiso 1 1 d D . . C39 C 0.7967(9) 0.2453(8) 0.0598(9) 0.207(17) Uiso 1 1 d D . . C40 C 0.8608(9) 0.2419(9) 0.0873(12) 0.26(2) Uiso 1 1 d D . . C41 C 0.7497(6) 0.1151(5) 0.1820(4) 0.054(5) Uani 1 1 d . . . C42 C 0.7288(7) 0.0934(6) 0.1558(5) 0.080(7) Uani 1 1 d . . . C43 C 0.7467(7) 0.0913(6) 0.1259(5) 0.076(7) Uani 1 1 d . . . C44 C 0.7809(7) 0.1094(6) 0.1237(6) 0.078(7) Uani 1 1 d . . . C45 C 0.7961(6) 0.1317(6) 0.1481(6) 0.080(7) Uani 1 1 d . . . C46 C 0.7809(6) 0.1336(5) 0.1788(5) 0.071(6) Uani 1 1 d . . . C47 C 0.8023(7) 0.1066(6) 0.0927(6) 0.110(9) Uiso 1 1 d D . . C48 C 0.8097(12) 0.1452(8) 0.0744(11) 0.124(16) Uiso 0.60 1 d PD . . C49 C 0.7743(11) 0.0870(12) 0.0645(12) 0.148(19) Uiso 0.60 1 d PD . . C50 C 0.8381(12) 0.0856(12) 0.0938(13) 0.17(2) Uiso 0.60 1 d PD . . C48B C 0.8106(13) 0.0647(7) 0.0894(11) 0.075(16) Uiso 0.40 1 d PD . . C49B C 0.7818(12) 0.1188(12) 0.0601(10) 0.092(19) Uiso 0.40 1 d PD . . C50B C 0.8411(10) 0.1253(12) 0.0955(13) 0.10(2) Uiso 0.40 1 d PD . . C51 C 0.5577(6) -0.0422(6) 0.2120(5) 0.065(6) Uani 1 1 d . . . C52 C 0.5358(7) -0.0287(6) 0.1817(6) 0.091(7) Uani 1 1 d . . . C53 C 0.5320(7) -0.0542(7) 0.1535(6) 0.102(8) Uani 1 1 d . . . C54 C 0.5486(8) -0.0876(7) 0.1545(6) 0.103(9) Uani 1 1 d . . . C55 C 0.5675(8) -0.0986(6) 0.1886(9) 0.123(11) Uani 1 1 d . . . C56 C 0.5733(6) -0.0751(6) 0.2151(5) 0.078(7) Uani 1 1 d . . . C57 C 0.5434(8) -0.1126(7) 0.1231(7) 0.116(9) Uiso 1 1 d . . . C58 C 0.5024(8) -0.1159(7) 0.1125(7) 0.121(9) Uiso 1 1 d . . . C59 C 0.5639(9) -0.1551(8) 0.1326(7) 0.147(11) Uiso 1 1 d . . . C60 C 0.5710(9) -0.0959(8) 0.0968(8) 0.146(11) Uiso 1 1 d . . . C61 C 0.4801(6) 0.0559(5) 0.1643(5) 0.057(6) Uani 1 1 d . . . C62 C 0.5032(6) 0.0670(6) 0.1422(5) 0.069(6) Uani 1 1 d . . . C63 C 0.4971(6) 0.0524(7) 0.1093(6) 0.090(8) Uani 1 1 d . . . C64 C 0.4711(10) 0.0261(7) 0.1013(6) 0.109(11) Uani 1 1 d . . . C65 C 0.4474(9) 0.0142(8) 0.1243(8) 0.119(10) Uani 1 1 d . . . C66 C 0.4531(8) 0.0317(7) 0.1573(7) 0.101(8) Uani 1 1 d . . . C67 C 0.4683(8) 0.0122(7) 0.0639(6) 0.101(8) Uiso 1 1 d . . . C68 C 0.5088(10) -0.0003(8) 0.0559(8) 0.160(13) Uiso 1 1 d . . . C69 C 0.4538(8) 0.0415(7) 0.0389(7) 0.121(9) Uiso 1 1 d . . . C70 C 0.4441(10) -0.0237(9) 0.0655(8) 0.163(13) Uiso 1 1 d . . . C71 C 0.6104(6) 0.0688(7) 0.1466(5) 0.070(6) Uani 1 1 d . . . C72 C 0.6358(6) 0.0891(6) 0.1260(5) 0.082(8) Uani 1 1 d . . . C73 C 0.6435(6) 0.0718(7) 0.0954(6) 0.089(8) Uani 1 1 d . . . C74 C 0.6260(7) 0.0368(7) 0.0849(5) 0.085(9) Uani 1 1 d . . . C75 C 0.6028(7) 0.0201(6) 0.1050(5) 0.083(8) Uani 1 1 d . . . C76 C 0.5947(6) 0.0339(6) 0.1354(6) 0.087(8) Uani 1 1 d . . . C77 C 0.6344(8) 0.0143(8) 0.0499(7) 0.125(10) Uiso 1 1 d . . . C78 C 0.6783(10) 0.0149(11) 0.0578(11) 0.26(2) Uiso 1 1 d D . . C79 C 0.6193(11) -0.0201(9) 0.0488(10) 0.23(2) Uiso 1 1 d D . . C80 C 0.6242(11) 0.0402(8) 0.0229(9) 0.209(17) Uiso 1 1 d D . . C81 C 0.6502(5) 0.0675(7) 0.3084(4) 0.103(8) Uiso 1 1 d G . . C82 C 0.6454(6) 0.0314(6) 0.3177(6) 0.170(14) Uiso 1 1 d G . . C83 C 0.6551(7) 0.0206(4) 0.3500(7) 0.213(18) Uiso 1 1 d G . . C84 C 0.6697(6) 0.0458(8) 0.3731(4) 0.216(18) Uiso 1 1 d GD . . C85 C 0.6745(6) 0.0818(7) 0.3639(5) 0.166(13) Uiso 1 1 d G . . C86 C 0.6648(6) 0.0927(4) 0.3316(6) 0.163(13) Uiso 1 1 d G . . C87 C 0.6812(7) 0.0286(7) 0.4077(6) 0.45(4) Uiso 1 1 d D . . C88 C 0.7110(7) 0.0009(8) 0.4047(8) 0.184(15) Uiso 1 1 d D . . C89 C 0.6482(8) 0.0113(9) 0.4221(8) 0.209(17) Uiso 1 1 d D . . C90 C 0.6959(12) 0.0592(9) 0.4317(8) 0.500 Uiso 1 1 d D . . C91 C 0.6614(5) 0.1925(5) 0.1398(4) 0.056(5) Uani 1 1 d . . . C92 C 0.6939(6) 0.1810(5) 0.1288(5) 0.064(6) Uani 1 1 d . . . C93 C 0.6983(6) 0.1807(6) 0.0935(5) 0.068(6) Uani 1 1 d . . . C94 C 0.6703(7) 0.1909(6) 0.0712(5) 0.088(8) Uani 1 1 d . . . C95 C 0.6380(8) 0.2026(9) 0.0827(6) 0.144(12) Uani 1 1 d . . . C96 C 0.6345(7) 0.2060(8) 0.1168(5) 0.113(10) Uani 1 1 d . . . C97 C 0.6739(7) 0.1866(7) 0.0318(6) 0.107(8) Uiso 1 1 d . . . C98 C 0.7102(7) 0.2037(7) 0.0252(6) 0.106(8) Uiso 1 1 d . . . C99 C 0.6414(8) 0.2108(7) 0.0127(7) 0.117(9) Uiso 1 1 d . . . C100 C 0.6722(8) 0.1502(8) 0.0234(7) 0.130(10) Uiso 1 1 d . . . C101 C 0.7061(5) 0.1884(4) 0.3091(4) 0.044(4) Uiso 1 1 d . . . C102 C 0.6903(8) 0.1878(8) 0.3375(7) 0.130(10) Uiso 1 1 d . . . C103 C 0.7137(10) 0.1806(9) 0.3735(8) 0.159(13) Uiso 1 1 d . . . C104 C 0.7494(6) 0.1713(5) 0.3686(5) 0.067(6) Uiso 1 1 d . . . C105 C 0.7631(8) 0.1705(7) 0.3405(7) 0.111(9) Uiso 1 1 d . . . C106 C 0.7447(8) 0.1831(7) 0.3095(7) 0.118(9) Uiso 1 1 d . . . C107 C 0.7741(8) 0.1608(7) 0.4024(7) 0.112(9) Uiso 1 1 d . . . C108 C 0.7497(11) 0.1603(10) 0.4325(10) 0.201(16) Uiso 1 1 d . . . C109 C 0.7855(9) 0.1185(9) 0.3961(8) 0.157(12) Uiso 1 1 d . . . C110 C 0.8074(9) 0.1861(8) 0.4031(8) 0.145(11) Uiso 1 1 d . . . C111 C 0.6859(5) 0.3173(5) 0.1426(5) 0.060(5) Uiso 1 1 d . . . C112 C 0.6798(6) 0.2906(6) 0.1200(6) 0.082(7) Uiso 1 1 d . . . C113 C 0.6841(8) 0.2967(8) 0.0856(7) 0.126(10) Uiso 1 1 d . . . C114 C 0.7019(8) 0.3341(7) 0.0801(7) 0.109(9) Uiso 1 1 d . . . C115 C 0.7055(8) 0.3617(7) 0.1011(7) 0.115(9) Uiso 1 1 d . . . C116 C 0.6975(8) 0.3512(7) 0.1354(7) 0.118(9) Uiso 1 1 d . . . C117 C 0.7070(12) 0.3450(11) 0.0371(10) 0.193(16) Uiso 1 1 d . . . C118 C 0.7446(11) 0.3632(10) 0.0430(9) 0.176(14) Uiso 1 1 d . . . C119 C 0.7008(9) 0.3114(9) 0.0161(8) 0.150(12) Uiso 1 1 d . . . C120 C 0.6739(9) 0.3760(8) 0.0298(8) 0.148(12) Uiso 1 1 d . . . C121 C 0.7296(4) 0.3167(5) 0.3036(3) 0.056(5) Uiso 1 1 d G . . C122 C 0.7319(5) 0.3490(4) 0.3216(5) 0.144(11) Uiso 1 1 d G . . C123 C 0.7569(6) 0.3520(4) 0.3494(4) 0.161(13) Uiso 1 1 d G . . C124 C 0.7795(4) 0.3227(6) 0.3592(3) 0.099(8) Uiso 1 1 d G . . C125 C 0.7771(5) 0.2904(5) 0.3412(5) 0.167(13) Uiso 1 1 d G . . C126 C 0.7522(5) 0.2874(4) 0.3134(4) 0.147(11) Uiso 1 1 d G . . C127 C 0.8133(7) 0.3248(7) 0.3922(6) 0.151(12) Uiso 1 1 d D . . C128 C 0.7958(11) 0.3055(9) 0.4209(10) 0.24(2) Uiso 1 1 d D . . C129 C 0.8229(12) 0.3641(7) 0.4025(11) 0.25(2) Uiso 1 1 d D . . C130 C 0.8523(10) 0.3050(11) 0.3914(13) 0.34(3) Uiso 1 1 d D . . C131 C 0.5919(5) 0.4137(4) 0.1481(4) 0.042(5) Uani 1 1 d . . . C132 C 0.5605(7) 0.4245(7) 0.1340(6) 0.113(10) Uani 1 1 d . . . C133 C 0.5622(8) 0.4409(7) 0.1027(7) 0.114(10) Uani 1 1 d . . . C134 C 0.5911(8) 0.4438(6) 0.0854(4) 0.078(7) Uani 1 1 d . . . C135 C 0.6210(7) 0.4296(10) 0.1009(6) 0.157(16) Uani 1 1 d . . . C136 C 0.6228(8) 0.4122(8) 0.1320(6) 0.145(13) Uani 1 1 d . . . C137 C 0.5896(7) 0.4569(6) 0.0496(6) 0.083(7) Uiso 1 1 d . . . C138 C 0.6243(10) 0.4746(9) 0.0454(8) 0.162(13) Uiso 1 1 d . . . C139 C 0.5633(9) 0.4893(8) 0.0467(8) 0.145(11) Uiso 1 1 d . . . C140 C 0.5850(9) 0.4230(8) 0.0260(7) 0.135(11) Uiso 1 1 d . . . C141 C 0.6408(5) 0.4099(5) 0.3185(5) 0.052(5) Uani 1 1 d . . . C142 C 0.6507(7) 0.3843(6) 0.3439(5) 0.084(7) Uani 1 1 d . . . C143 C 0.6688(8) 0.3938(6) 0.3736(7) 0.111(9) Uani 1 1 d . . . C144 C 0.6808(6) 0.4316(7) 0.3798(5) 0.091(8) Uani 1 1 d . . . C145 C 0.6698(6) 0.4563(6) 0.3555(5) 0.071(7) Uani 1 1 d . . . C146 C 0.6507(6) 0.4473(5) 0.3266(5) 0.067(6) Uani 1 1 d . . . C147 C 0.6996(7) 0.4429(7) 0.4117(6) 0.100(8) Uiso 1 1 d . . . C148 C 0.7057(9) 0.4092(8) 0.4374(8) 0.150(12) Uiso 1 1 d . . . C149 C 0.7321(11) 0.4656(9) 0.4065(9) 0.179(14) Uiso 1 1 d . . . C150 C 0.6717(9) 0.4725(8) 0.4273(8) 0.142(11) Uiso 1 1 d . . . C151 C 0.4763(5) 0.4733(4) 0.1716(4) 0.045(5) Uani 1 1 d . . . C152 C 0.4442(7) 0.4690(6) 0.1545(5) 0.090(8) Uani 1 1 d . . . C153 C 0.4318(7) 0.4875(7) 0.1266(6) 0.096(8) Uani 1 1 d . . . C154 C 0.4593(8) 0.5132(6) 0.1145(4) 0.084(8) Uani 1 1 d . . . C155 C 0.4931(6) 0.5173(9) 0.1324(8) 0.136(12) Uani 1 1 d . . . C156 C 0.5014(7) 0.4931(8) 0.1583(6) 0.118(11) Uani 1 1 d . . . C157 C 0.4441(8) 0.5365(7) 0.0800(6) 0.106(8) Uiso 1 1 d . . . C158 C 0.4081(10) 0.5242(9) 0.0661(8) 0.158(12) Uiso 1 1 d . . . C159 C 0.4779(16) 0.5471(14) 0.0598(13) 0.30(3) Uiso 1 1 d . . . C160 C 0.4438(9) 0.5791(9) 0.0904(8) 0.157(12) Uiso 1 1 d . . . C161 C 0.5290(7) 0.1577(5) 0.1088(5) 0.071(7) Uani 1 1 d . . . C162 C 0.5608(7) 0.1447(8) 0.0960(5) 0.121(11) Uani 1 1 d . . . C163 C 0.5582(9) 0.1366(8) 0.0605(5) 0.120(11) Uani 1 1 d . . . C164 C 0.5252(8) 0.1418(6) 0.0419(5) 0.087(8) Uani 1 1 d . . . C165 C 0.4930(8) 0.1509(8) 0.0540(6) 0.120(11) Uani 1 1 d . . . C166 C 0.4958(8) 0.1599(7) 0.0873(7) 0.110(9) Uani 1 1 d . . . C167 C 0.5225(8) 0.1373(7) 0.0016(6) 0.105(8) Uiso 1 1 d . . . C168 C 0.5141(9) 0.1707(9) -0.0131(8) 0.151(12) Uiso 1 1 d . . . C169 C 0.4967(12) 0.1047(11) -0.0054(10) 0.215(17) Uiso 1 1 d . . . C170 C 0.5538(13) 0.1143(11) -0.0097(11) 0.230(19) Uiso 1 1 d . . . C181 C 0.6027(4) 0.1553(5) 0.3748(3) 0.079(7) Uiso 1 1 d G . . C182 C 0.5951(4) 0.1226(4) 0.3901(4) 0.093(7) Uiso 1 1 d G . . C183 C 0.6052(5) 0.1178(4) 0.4236(4) 0.103(8) Uiso 1 1 d G . . C184 C 0.6230(5) 0.1458(6) 0.4418(3) 0.115(9) Uiso 1 1 d G . . C185 C 0.6306(5) 0.1785(5) 0.4265(5) 0.141(11) Uiso 1 1 d G . . C186 C 0.6204(5) 0.1833(4) 0.3931(5) 0.161(13) Uiso 1 1 d G . . C187 C 0.6344(11) 0.1346(9) 0.4830(9) 0.177(14) Uiso 1 1 d . . . C188 C 0.6122(10) 0.1671(8) 0.4991(9) 0.196(16) Uiso 1 1 d D . . C189 C 0.6211(10) 0.1001(7) 0.4939(9) 0.191(15) Uiso 1 1 d D . . C190 C 0.6720(9) 0.1419(10) 0.4816(11) 0.24(2) Uiso 1 1 d D . . C191 C 0.5726(5) 0.2880(6) 0.1015(4) 0.057(5) Uani 1 1 d . . . C192 C 0.5830(7) 0.3223(6) 0.0880(6) 0.096(8) Uani 1 1 d . . . C193 C 0.5779(7) 0.3274(7) 0.0527(5) 0.090(8) Uani 1 1 d . . . C194 C 0.5654(6) 0.2982(7) 0.0338(4) 0.094(9) Uani 1 1 d D . . C195 C 0.5564(6) 0.2631(6) 0.0472(5) 0.073(6) Uani 1 1 d . . . C196 C 0.5592(5) 0.2614(6) 0.0815(4) 0.064(6) Uani 1 1 d . . . C197 C 0.5568(7) 0.3000(7) -0.0067(6) 0.103(8) Uiso 1 1 d . . . C198 C 0.5998(8) 0.3239(10) -0.0118(8) 0.30(3) Uiso 1 1 d D . . C199 C 0.5320(8) 0.3301(8) -0.0139(7) 0.184(15) Uiso 1 1 d D . . C200 C 0.5609(9) 0.2692(7) -0.0226(7) 0.173(14) Uiso 1 1 d D . . C211 C 0.6381(6) 0.2869(5) 0.3670(4) 0.053(5) Uani 1 1 d . . . C212 C 0.6724(8) 0.2736(7) 0.3763(5) 0.114(10) Uani 1 1 d . . . C213 C 0.6870(7) 0.2722(8) 0.4077(5) 0.109(10) Uani 1 1 d . . . C214 C 0.6701(7) 0.2921(6) 0.4309(5) 0.073(6) Uani 1 1 d . . . C215 C 0.6356(7) 0.3065(6) 0.4224(5) 0.079(7) Uani 1 1 d . . . C216 C 0.6180(7) 0.3040(6) 0.3897(5) 0.090(7) Uani 1 1 d . . . C217 C 0.6859(6) 0.2919(6) 0.4680(5) 0.090(7) Uiso 1 1 d D . . C218 C 0.6951(13) 0.3319(12) 0.4795(11) 0.112(15) Uiso 0.60 1 d P . . C219 C 0.7197(15) 0.2643(13) 0.4723(13) 0.136(18) Uiso 0.60 1 d P . . C220 C 0.6553(11) 0.2739(10) 0.4902(10) 0.092(12) Uiso 0.60 1 d P . . C21A C 0.7256(8) 0.3076(10) 0.4677(12) 0.072(15) Uiso 0.40 1 d PD . . C21B C 0.6896(11) 0.2550(7) 0.4857(10) 0.053(12) Uiso 0.40 1 d PD . . C21C C 0.6635(13) 0.3180(10) 0.4880(14) 0.12(2) Uiso 0.40 1 d PD . . C231 C 0.4649(6) 0.3724(5) 0.1213(5) 0.061(5) Uiso 1 1 d . . . C232 C 0.4319(7) 0.3877(6) 0.1113(6) 0.095(8) Uiso 1 1 d . . . C233 C 0.4222(7) 0.3977(6) 0.0759(6) 0.095(8) Uiso 1 1 d . . . C234 C 0.4462(6) 0.3900(6) 0.0539(5) 0.078(6) Uiso 1 1 d . . . C235 C 0.4739(7) 0.3672(7) 0.0608(6) 0.100(8) Uiso 1 1 d . . . C236 C 0.4849(8) 0.3590(7) 0.0937(7) 0.125(10) Uiso 1 1 d . . . C237 C 0.4343(6) 0.3969(6) 0.0161(5) 0.073(6) Uiso 1 1 d . . . C238 C 0.4297(8) 0.3641(7) -0.0008(7) 0.128(10) Uiso 1 1 d . . . C239 C 0.4020(7) 0.4200(6) 0.0128(6) 0.095(8) Uiso 1 1 d . . . C240 C 0.4657(8) 0.4176(7) 0.0021(7) 0.122(10) Uiso 1 1 d . . . C301 C 0.4556(8) 0.2555(7) 0.0721(7) 0.128(10) Uiso 1 1 d . . . O1 O 0.7890(8) -0.0505(7) 0.4143(6) 0.227(12) Uiso 1 1 d D . . C401 C 0.7528(15) -0.0566(16) 0.3629(10) 0.48(5) Uiso 1 1 d D . . C402 C 0.7788(13) -0.0355(12) 0.3885(8) 0.500 Uiso 1 1 d D . . C403 C 0.8033(11) -0.0092(9) 0.3707(8) 0.214(18) Uiso 1 1 d D . . O2 O 0.7402(8) 0.0286(8) 0.5026(9) 0.305(18) Uiso 1 1 d D . . C404 C 0.7951(10) 0.0358(8) 0.4745(10) 0.218(18) Uiso 1 1 d D . . C405 C 0.7670(10) 0.0144(7) 0.4932(12) 0.23(2) Uiso 1 1 d D . . C406 C 0.7757(9) -0.0258(6) 0.4934(8) 0.179(15) Uiso 1 1 d D . . O4 O 0.8509(10) 0.4173(9) 0.1139(8) 0.129(13) Uiso 0.50 1 d PD . . C410 C 0.8462(15) 0.4067(15) 0.0554(8) 0.16(2) Uiso 0.50 1 d PD . . C411 C 0.8602(12) 0.3997(12) 0.0909(8) 0.13(2) Uiso 0.50 1 d PD . . C412 C 0.8929(14) 0.3742(15) 0.0933(13) 0.17(3) Uiso 0.50 1 d PD . . O5 O 0.6158(8) 0.5564(8) 0.3227(8) 0.126(12) Uiso 0.50 1 d PD . . C413 C 0.6050(11) 0.6110(9) 0.2907(11) 0.106(17) Uiso 0.50 1 d PD . . C414 C 0.5943(9) 0.5772(9) 0.3094(11) 0.114(18) Uiso 0.50 1 d PD . . C415 C 0.5535(8) 0.5679(11) 0.2997(11) 0.110(17) Uiso 0.50 1 d PD . . N1 N 0.7095(6) 0.5713(6) 0.2373(5) 0.134(8) Uiso 1 1 d D . . C501 C 0.7119(12) 0.5331(7) 0.2499(7) 0.23(2) Uiso 1 1 d D . . C502 C 0.7058(8) 0.5330(7) 0.2866(6) 0.130(10) Uiso 1 1 d D . . C503 C 0.7130(12) 0.5749(10) 0.2016(6) 0.25(2) Uiso 1 1 d D . . C504 C 0.7503(12) 0.5548(13) 0.2063(12) 0.28(2) Uiso 1 1 d D . . C505 C 0.6760(13) 0.5903(11) 0.2475(12) 0.41(4) Uiso 1 1 d D . . C506 C 0.6809(11) 0.6210(9) 0.2226(9) 0.195(16) Uiso 1 1 d D . . N2A N 0.3812(7) -0.0843(10) 0.1939(12) 0.21(3) Uiso 0.40 1 d PD . . C507 C 0.4049(15) -0.1163(13) 0.197(3) 0.56(15) Uiso 0.40 1 d PD . . C508 C 0.4456(11) -0.1085(16) 0.1935(15) 0.14(3) Uiso 0.40 1 d PD . . C509 C 0.3467(10) -0.0853(10) 0.2088(11) 0.10(2) Uiso 0.40 1 d PD . . C510 C 0.3223 -0.1184 0.1982 0.050 Uiso 0.40 1 d PD . . C511 C 0.3845(14) -0.061(3) 0.165(2) 0.38(9) Uiso 0.40 1 d PD . . C512 C 0.4246(13) -0.0577(15) 0.1568(13) 0.11(2) Uiso 0.40 1 d PD . . N2B N 0.3147(7) -0.1528(7) 0.2189(6) 0.098(10) Uiso 0.60 1 d PD . . C513 C 0.3346(16) -0.1862(13) 0.2134(12) 0.49(8) Uiso 0.60 1 d PD . . C514 C 0.3561(14) -0.1857(19) 0.1825(14) 0.36(6) Uiso 0.60 1 d PD . . C515 C 0.2999(9) -0.1478(12) 0.2506(7) 0.16(2) Uiso 0.60 1 d PD . . C516 C 0.3272(11) -0.1392(11) 0.2798(7) 0.107(14) Uiso 0.60 1 d PD . . C517 C 0.2871(11) -0.1431(11) 0.1904(8) 0.143(19) Uiso 0.60 1 d PD . . C518 C 0.2933(17) -0.1671(16) 0.1607(9) 0.24(3) Uiso 0.60 1 d PD . . 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 Ag1 0.0516(11) 0.0500(10) 0.1068(13) 0.0075(9) 0.0134(10) -0.0082(8) Ag2 0.0641(12) 0.0891(13) 0.0587(10) -0.0019(9) -0.0040(9) -0.0128(9) Ag3 0.0718(13) 0.0800(13) 0.0969(14) -0.0152(10) 0.0111(11) -0.0303(10) Ag4 0.0553(12) 0.0897(14) 0.1242(16) -0.0405(12) 0.0191(11) 0.0018(10) Ag5 0.0610(11) 0.0814(12) 0.0464(9) -0.0088(8) 0.0061(8) 0.0152(9) Ag6 0.0639(12) 0.0749(12) 0.0834(12) -0.0143(10) -0.0021(10) 0.0163(9) Ag7 0.0955(16) 0.0548(11) 0.1230(16) -0.0165(11) 0.0219(13) 0.0001(10) Ag8 0.132(3) 0.0606(17) 0.0821(18) 0.000 0.0189(18) 0.000 Ag9 0.0766(13) 0.0559(11) 0.0880(12) 0.0079(9) -0.0266(10) -0.0096(9) Ag10 0.1129(19) 0.202(2) 0.0650(12) 0.0427(14) -0.0125(12) -0.0781(17) Ag11 0.0696(13) 0.1043(14) 0.0700(11) 0.0027(10) 0.0105(10) 0.0028(10) Ag12 0.0756(13) 0.1163(15) 0.0509(10) -0.0051(10) -0.0081(9) -0.0330(11) Ag13 0.0951(14) 0.0558(11) 0.0705(11) -0.0101(9) -0.0024(10) 0.0139(9) Ag14 0.1278(19) 0.0995(16) 0.1026(15) -0.0158(12) -0.0328(14) 0.0655(14) Ag15 0.1320(17) 0.0571(11) 0.0482(9) 0.0028(8) -0.0033(10) 0.0025(10) Ag16 0.0896(14) 0.0549(11) 0.0880(12) -0.0181(9) 0.0104(11) 0.0055(9) Ag17 0.0522(10) 0.0920(13) 0.0631(10) 0.0005(9) 0.0174(8) 0.0002(9) Ag18 0.0434(10) 0.0992(13) 0.0635(10) -0.0012(9) 0.0063(8) -0.0012(9) Ag19 0.1130(17) 0.1089(16) 0.0740(12) -0.0187(11) 0.0150(12) 0.0319(13) Ag2A 0.128(3) 0.073(2) 0.0418(11) 0.0010(12) -0.0081(14) -0.0041(16) Ag2B 0.128(3) 0.073(2) 0.0418(11) 0.0010(12) -0.0081(14) -0.0041(16) Ag2C 0.0491(14) 0.0677(16) 0.0568(12) 0.0043(12) 0.0047(11) 0.0163(10) Ag2D 0.0491(14) 0.0677(16) 0.0568(12) 0.0043(12) 0.0047(11) 0.0163(10) Ag22 0.155(2) 0.1115(16) 0.0456(10) 0.0105(10) -0.0206(11) -0.0384(14) Ag2E 0.0629(18) 0.0547(15) 0.0905(16) -0.0112(13) 0.0037(15) -0.0022(13) Ag2F 0.0629(18) 0.0547(15) 0.0905(16) -0.0112(13) 0.0037(15) -0.0022(13) Ag24 0.270(4) 0.0933(17) 0.0678(13) 0.0137(12) -0.0418(17) -0.0272(18) Ag25 0.0713(14) 0.219(3) 0.0585(11) 0.0219(14) -0.0114(10) -0.0001(15) Ag26 0.0643(17) 0.124(2) 0.0628(15) 0.000 0.0010(13) 0.000 S1 0.060(4) 0.070(4) 0.057(3) 0.000(3) 0.003(3) -0.024(3) S2 0.067(4) 0.082(4) 0.059(3) -0.008(3) 0.009(3) -0.024(3) S3 0.079(6) 0.105(6) 0.323(14) -0.089(7) 0.080(7) -0.015(4) S4 0.063(4) 0.074(4) 0.056(3) 0.005(3) 0.004(3) 0.033(3) S5 0.126(6) 0.069(4) 0.075(4) -0.015(3) -0.001(4) -0.016(4) S6 0.069(4) 0.044(3) 0.046(3) -0.003(2) -0.004(3) -0.008(3) S7 0.081(4) 0.058(4) 0.059(3) -0.013(3) -0.008(3) 0.013(3) S8 0.106(5) 0.094(5) 0.049(3) 0.000(3) -0.005(3) -0.021(4) S9 0.059(3) 0.063(3) 0.034(3) -0.009(2) -0.001(2) 0.016(3) S10 0.046(3) 0.064(3) 0.035(3) -0.001(2) -0.004(2) 0.013(2) S11 0.082(4) 0.078(4) 0.042(3) -0.003(3) 0.009(3) -0.023(3) S12 0.071(4) 0.089(4) 0.048(3) -0.012(3) -0.017(3) 0.024(3) S13 0.049(3) 0.056(3) 0.035(2) -0.002(2) 0.004(2) -0.008(2) S14 0.042(3) 0.052(3) 0.052(3) -0.003(2) 0.005(2) -0.003(2) S15 0.049(3) 0.057(3) 0.057(3) 0.010(3) 0.010(3) 0.000(2) S16 0.072(4) 0.075(4) 0.044(3) -0.004(3) -0.015(3) 0.005(3) S17 0.057(3) 0.069(4) 0.037(3) -0.010(2) 0.001(2) 0.006(3) S18 0.064(4) 0.098(4) 0.040(3) 0.002(3) -0.004(3) -0.005(3) S19 0.078(4) 0.077(4) 0.038(3) -0.006(3) -0.001(3) 0.006(3) S20 0.054(3) 0.088(4) 0.034(3) -0.019(3) 0.008(2) -0.031(3) S21 0.098(5) 0.076(4) 0.030(3) -0.004(3) 0.003(3) 0.002(3) S22 0.076(5) 0.049(4) 0.045(4) 0.000 0.022(4) 0.000 S23 0.067(4) 0.077(4) 0.048(3) -0.015(3) 0.004(3) -0.003(3) S31 0.096(5) 0.177(7) 0.031(3) -0.016(4) -0.012(3) 0.016(5) S32 0.175(10) 0.185(9) 0.095(6) -0.027(6) -0.013(6) -0.003(7) S33 0.193(11) 0.232(11) 0.122(7) 0.007(7) -0.021(7) 0.049(9) C21 0.029(11) 0.060(13) 0.062(13) 0.001(10) 0.007(10) -0.006(10) C22 0.11(2) 0.14(2) 0.061(15) -0.010(15) -0.010(15) -0.089(19) C23 0.10(2) 0.081(18) 0.11(2) 0.035(16) 0.027(18) -0.026(15) C24 0.083(19) 0.045(14) 0.11(2) -0.013(14) -0.033(16) 0.009(12) C25 0.057(16) 0.12(2) 0.087(17) -0.023(15) 0.010(14) -0.025(15) C26 0.068(16) 0.073(16) 0.099(18) 0.020(13) -0.010(14) -0.056(13) C41 0.060(15) 0.056(13) 0.045(12) 0.018(10) -0.004(11) 0.032(11) C42 0.11(2) 0.083(17) 0.040(12) 0.007(11) -0.025(13) 0.058(14) C43 0.085(19) 0.069(16) 0.073(16) 0.016(12) -0.007(14) 0.041(14) C44 0.09(2) 0.050(15) 0.094(18) 0.010(14) 0.014(16) 0.063(14) C45 0.090(19) 0.052(15) 0.097(18) -0.006(14) 0.003(16) 0.029(13) C46 0.070(17) 0.066(15) 0.079(16) -0.032(12) 0.017(13) 0.003(12) C51 0.060(15) 0.062(15) 0.073(15) -0.031(12) 0.006(12) -0.005(11) C52 0.10(2) 0.078(17) 0.088(17) -0.005(15) -0.021(16) 0.007(14) C53 0.11(2) 0.078(19) 0.11(2) 0.007(16) -0.031(17) 0.022(16) C54 0.14(3) 0.072(18) 0.089(18) -0.013(15) -0.031(18) 0.038(17) C55 0.13(3) 0.036(15) 0.21(3) 0.006(19) 0.02(2) 0.035(15) C56 0.095(19) 0.050(15) 0.091(17) -0.034(13) 0.020(14) 0.019(13) C61 0.050(14) 0.051(14) 0.064(14) -0.022(11) -0.033(11) 0.011(11) C62 0.069(16) 0.095(17) 0.042(12) -0.017(12) 0.006(12) 0.012(13) C63 0.064(17) 0.11(2) 0.087(18) -0.040(16) -0.026(14) 0.058(15) C64 0.17(3) 0.08(2) 0.061(16) -0.040(15) -0.054(19) 0.07(2) C65 0.14(3) 0.11(2) 0.11(2) -0.02(2) 0.01(2) 0.014(19) C66 0.11(2) 0.076(18) 0.12(2) -0.015(16) 0.026(19) 0.008(16) C71 0.048(14) 0.12(2) 0.040(12) -0.001(13) -0.008(11) 0.032(13) C72 0.089(18) 0.12(2) 0.032(11) -0.010(12) -0.014(12) 0.060(15) C73 0.039(14) 0.14(2) 0.083(18) -0.008(17) -0.032(13) 0.016(14) C74 0.09(2) 0.13(2) 0.023(11) 0.014(13) -0.013(12) 0.072(18) C75 0.10(2) 0.106(19) 0.035(12) -0.023(13) -0.039(13) 0.068(16) C76 0.083(18) 0.078(17) 0.090(18) -0.024(14) -0.054(14) 0.046(14) C91 0.049(13) 0.071(14) 0.048(12) 0.002(10) 0.010(11) 0.021(11) C92 0.081(17) 0.049(13) 0.060(13) -0.003(10) -0.002(12) 0.019(11) C93 0.072(16) 0.085(16) 0.046(12) 0.007(11) -0.004(11) 0.042(13) C94 0.10(2) 0.102(19) 0.072(16) -0.024(14) 0.031(16) 0.052(15) C95 0.12(3) 0.24(4) 0.071(19) -0.03(2) -0.029(18) 0.07(2) C96 0.10(2) 0.20(3) 0.030(12) -0.031(15) -0.007(13) 0.064(19) C131 0.066(14) 0.040(11) 0.020(9) -0.004(8) 0.004(10) -0.008(10) C132 0.068(19) 0.17(3) 0.096(19) 0.095(19) -0.008(15) 0.009(17) C133 0.11(2) 0.14(3) 0.09(2) 0.041(18) 0.021(19) 0.046(19) C134 0.13(2) 0.082(16) 0.023(11) 0.013(10) 0.027(14) 0.017(15) C135 0.060(19) 0.35(5) 0.054(15) 0.11(2) -0.014(14) 0.01(2) C136 0.15(3) 0.24(3) 0.059(16) 0.071(19) 0.077(19) 0.05(2) C141 0.041(12) 0.049(13) 0.071(14) -0.005(11) 0.022(10) 0.005(10) C142 0.11(2) 0.073(16) 0.059(14) 0.006(13) -0.040(14) -0.030(14) C143 0.12(2) 0.063(18) 0.14(3) 0.018(17) -0.02(2) -0.027(16) C144 0.078(18) 0.14(2) 0.055(14) 0.055(15) -0.023(13) -0.028(16) C145 0.093(18) 0.078(16) 0.041(12) -0.023(12) 0.003(12) -0.032(13) C146 0.070(16) 0.036(13) 0.097(17) 0.012(12) 0.010(14) -0.009(11) C151 0.053(13) 0.044(12) 0.036(10) 0.002(9) 0.001(10) -0.022(10) C152 0.082(18) 0.13(2) 0.052(13) 0.014(13) -0.056(13) 0.023(15) C153 0.072(18) 0.13(2) 0.082(18) 0.021(16) -0.001(15) 0.000(16) C154 0.13(2) 0.099(18) 0.024(11) 0.023(11) 0.021(13) 0.038(17) C155 0.022(15) 0.25(4) 0.13(3) 0.03(3) -0.004(17) 0.005(18) C156 0.09(2) 0.19(3) 0.073(17) 0.075(19) -0.008(15) 0.05(2) C161 0.11(2) 0.038(13) 0.057(13) -0.015(10) -0.003(14) 0.024(12) C162 0.074(19) 0.23(3) 0.057(15) -0.020(18) 0.011(14) 0.064(19) C163 0.15(3) 0.17(3) 0.030(12) -0.049(15) -0.014(16) 0.02(2) C164 0.14(3) 0.096(19) 0.024(12) -0.018(11) -0.006(15) -0.014(17) C165 0.13(3) 0.20(3) 0.035(14) -0.032(16) 0.023(16) 0.03(2) C166 0.10(2) 0.09(2) 0.13(3) 0.029(18) -0.02(2) 0.034(16) C191 0.056(14) 0.083(16) 0.029(10) -0.012(11) -0.006(10) 0.007(11) C192 0.13(2) 0.081(18) 0.088(18) 0.029(14) 0.039(17) 0.039(16) C193 0.12(2) 0.13(2) 0.015(10) 0.011(13) -0.003(12) 0.027(17) C194 0.10(2) 0.15(3) 0.039(14) 0.030(16) 0.021(14) 0.034(18) C195 0.090(18) 0.081(17) 0.044(12) -0.003(12) -0.013(12) 0.027(13) C196 0.054(14) 0.102(17) 0.034(11) -0.006(11) -0.005(10) 0.036(12) C211 0.066(15) 0.063(14) 0.031(10) 0.002(9) 0.013(10) 0.005(11) C212 0.12(2) 0.16(3) 0.054(15) -0.036(16) -0.018(16) 0.07(2) C213 0.10(2) 0.20(3) 0.024(12) 0.003(15) -0.012(13) 0.030(19) C214 0.09(2) 0.075(16) 0.052(14) 0.009(12) -0.015(14) -0.009(14) C215 0.09(2) 0.102(19) 0.043(13) -0.025(12) 0.008(13) -0.010(15) C216 0.10(2) 0.12(2) 0.052(14) 0.003(14) 0.007(14) 0.002(15) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; 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 Ag1 S1 2.400(5) . ? Ag1 S15 2.538(5) . ? Ag1 S15 2.614(5) 2_655 ? Ag1 Ag17 3.158(2) . ? Ag1 Ag18 3.333(2) . ? Ag1 Ag2 3.437(2) . ? Ag1 Ag1 3.672(3) 2_655 ? Ag2 S2 2.491(6) . ? Ag2 S1 2.493(6) . ? Ag2 S13 2.703(5) . ? Ag2 S14 2.730(5) . ? Ag2 Ag3 3.438(3) . ? Ag3 S2 2.426(6) . ? Ag3 S12 2.563(6) . ? Ag3 S11 2.590(5) . ? Ag3 Ag15 3.154(3) . ? Ag3 Ag16 3.270(3) . ? Ag3 Ag4 3.665(3) . ? Ag4 S3 2.427(7) . ? Ag4 S12 2.475(5) . ? Ag4 S11 2.696(6) . ? Ag4 Ag5 3.010(2) . ? Ag4 Ag13 3.470(3) . ? Ag4 Ag14 3.522(3) . ? Ag5 S3 2.456(7) . ? Ag5 S4 2.597(5) . ? Ag5 S10 2.605(4) . ? Ag5 S9 2.630(5) . ? Ag5 Ag6 3.647(2) . ? Ag6 S4 2.406(6) . ? Ag6 S7 2.470(6) . ? Ag6 S8 2.811(6) . ? Ag6 Ag12 3.102(2) . ? Ag6 Ag11 3.407(3) . ? Ag6 Ag7 3.747(3) . ? Ag7 S5 2.411(6) . ? Ag7 S7 2.492(6) . ? Ag7 S8 2.752(6) . ? Ag7 Ag9 3.291(2) . ? Ag7 Ag8 3.412(2) . ? Ag7 Ag10 3.425(3) . ? Ag8 S5 2.483(7) 2_655 ? Ag8 S5 2.483(7) . ? Ag8 S6 2.715(5) 2_655 ? Ag8 S6 2.715(5) . ? Ag9 S6 2.404(5) . ? Ag9 S17 2.454(5) . ? Ag9 Ag26 2.946(3) . ? Ag9 S16 3.055(5) . ? Ag9 Ag11 3.091(2) . ? Ag9 Ag25 3.100(3) . ? Ag9 Ag10 3.109(3) . ? Ag9 S7 3.131(6) . ? Ag10 S6 2.410(5) 2_655 ? Ag10 S8 2.668(7) . ? Ag10 S17 2.678(5) . ? Ag10 S18 2.790(6) . ? Ag10 Ag12 3.015(3) . ? Ag10 Ag25 3.233(4) 2_655 ? Ag10 Ag26 3.649(3) . ? Ag11 S9 2.445(5) . ? Ag11 S17 2.578(5) . ? Ag11 S16 2.627(6) . ? Ag11 S7 2.798(5) . ? Ag11 Ag2E 3.204(4) . ? Ag11 Ag12 3.424(3) . ? Ag11 Ag22 3.475(3) . ? Ag11 Ag2F 4.081(4) . ? Ag12 S10 2.419(5) . ? Ag12 S8 2.509(6) . ? Ag12 S17 2.657(5) . ? Ag12 S18 3.119(5) . ? Ag12 Ag2E 3.664(4) . ? Ag12 Ag24 3.805(3) . ? Ag12 Ag2F 4.609(4) . ? Ag13 S9 2.414(5) . ? Ag13 S20 2.520(5) . ? Ag13 S11 2.686(5) . ? Ag13 S19 2.980(6) . ? Ag13 Ag15 3.079(2) . ? Ag13 Ag2E 3.137(4) . ? Ag13 Ag14 3.348(3) . ? Ag13 Ag22 3.622(3) . ? Ag13 Ag2F 4.030(4) . ? Ag14 S10 2.416(5) . ? Ag14 S21 2.606(5) . ? Ag14 S20 2.612(6) . ? Ag14 S12 2.765(6) . ? Ag14 Ag16 2.994(2) . ? Ag14 Ag24 3.168(4) . ? Ag14 Ag2E 3.240(4) . ? Ag14 Ag2F 3.986(4) . ? Ag15 S13 2.449(5) . ? Ag15 S11 2.624(6) . ? Ag15 S20 2.659(5) . ? Ag15 S19 2.763(5) . ? Ag15 Ag19 3.047(3) . ? Ag15 Ag16 3.270(2) . ? Ag15 Ag2C 3.331(3) . ? Ag15 Ag2D 4.382(4) . ? Ag16 S14 2.404(5) . ? Ag16 S20 2.495(5) . ? Ag16 S21 2.879(5) . ? Ag16 S12 2.903(6) . ? Ag16 Ag2C 3.001(3) . ? Ag16 Ag2B 3.086(9) . ? Ag16 Ag2A 3.882(4) . ? Ag16 Ag2D 4.058(5) . ? Ag17 S13 2.416(5) . ? Ag17 S22 2.545(4) . ? Ag17 S15 2.718(5) . ? Ag17 S23 2.891(6) . ? Ag17 Ag2C 3.083(3) . ? Ag17 Ag19 3.094(2) . ? Ag17 Ag18 3.150(2) 2_655 ? Ag17 Ag18 3.243(2) . ? Ag17 Ag2D 4.105(4) . ? Ag18 S14 2.438(5) . ? Ag18 S22 2.642(4) . ? Ag18 S15 2.698(5) 2_655 ? Ag18 S23 2.710(5) 2_655 ? Ag18 Ag2B 3.074(8) . ? Ag18 Ag17 3.150(2) 2_655 ? Ag18 Ag2C 3.270(3) . ? Ag18 Ag2A 3.721(3) . ? Ag18 Ag2D 4.224(5) . ? Ag19 S19 2.423(5) . ? Ag19 S23 2.463(6) . ? Ag19 Ag2A 2.933(4) 2_655 ? Ag19 Ag2C 3.063(3) . ? Ag19 Ag22 3.094(3) . ? Ag19 Ag2D 3.451(4) . ? Ag19 S31 3.574(8) . ? Ag19 Ag2B 3.596(11) 2_655 ? Ag2A Ag2B 1.077(9) . ? Ag2A S31 2.349(8) 2_655 ? Ag2A S23 2.539(6) 2_655 ? Ag2A S21 2.706(7) . ? Ag2A Ag19 2.933(4) 2_655 ? Ag2A Ag2D 3.055(4) . ? Ag2A Ag24 3.155(4) . ? Ag2A Ag2C 3.260(3) . ? Ag2B S21 2.202(11) . ? Ag2B S23 2.345(10) 2_655 ? Ag2B Ag2C 3.222(7) . ? Ag2B Ag2D 3.460(9) . ? Ag2B Ag24 3.528(9) . ? Ag2B Ag19 3.596(10) 2_655 ? Ag2C Ag2D 1.370(5) . ? Ag2C S20 2.266(6) . ? Ag2C S22 2.275(5) . ? Ag2C Ag2D 2.826(4) 2_655 ? Ag2C Ag2F 2.919(4) . ? Ag2D Ag2D 1.742(8) 2_655 ? Ag2D Ag2F 2.032(5) . ? Ag2D S31 2.609(8) . ? Ag2D S22 2.642(7) . ? Ag2D S31 2.727(7) 2_655 ? Ag2D S20 2.776(6) . ? Ag2D Ag2C 2.826(4) 2_655 ? Ag2D Ag2E 2.981(5) . ? Ag2D Ag2F 3.143(5) 2_655 ? Ag22 S19 2.451(6) . ? Ag22 S31 2.540(6) . ? Ag22 S16 2.552(6) . ? Ag22 Ag2E 3.207(4) . ? Ag22 Ag2F 3.229(4) . ? Ag22 Ag25 3.458(3) . ? Ag2E Ag2F 1.178(4) . ? Ag2E S17 2.213(6) . ? Ag2E S20 2.279(6) . ? Ag2E Ag24 3.117(4) . ? Ag2E Ag26 3.288(4) . ? Ag2E S31 3.424(8) . ? Ag2F S31 2.559(6) 2_655 ? Ag2F S20 2.580(5) . ? Ag2F S31 2.582(7) . ? Ag2F S17 2.735(6) . ? Ag2F Ag26 2.792(4) . ? Ag2F Ag2D 3.143(5) 2_655 ? Ag2F Ag24 3.211(4) . ? Ag2F Ag2F 3.318(7) 2_655 ? Ag24 S18 2.413(6) . ? Ag24 S21 2.519(6) . ? Ag24 S31 2.839(7) 2_655 ? Ag24 Ag25 3.040(3) 2_655 ? Ag25 S16 2.394(6) . ? Ag25 S18 2.409(6) 2_655 ? Ag25 Ag24 3.040(3) 2_655 ? Ag25 S31 3.061(8) . ? Ag25 Ag26 3.180(2) . ? Ag25 Ag10 3.233(3) 2_655 ? Ag26 S17 2.446(5) . ? Ag26 S17 2.446(5) 2_655 ? Ag26 Ag2F 2.792(4) 2_655 ? Ag26 Ag9 2.946(3) 2_655 ? Ag26 S31 3.175(7) . ? Ag26 Ag25 3.180(2) 2_655 ? Ag26 Ag2E 3.288(4) 2_655 ? S1 C11 1.836(19) . ? S2 C21 1.751(19) . ? S3 C31 1.766(10) . ? S4 C41 1.827(18) . ? S5 C51 1.783(19) . ? S6 C61 1.762(18) . ? S6 Ag10 2.410(5) 2_655 ? S6 S6 3.661(9) 2_655 ? S7 C71 1.736(19) . ? S7 S8 3.531(7) . ? S8 C81 1.755(14) . ? S9 C91 1.738(17) . ? S9 S10 3.731(6) . ? S10 C101 1.746(17) . ? S11 C111 1.771(18) . ? S11 S12 3.418(7) . ? S12 C121 1.772(12) . ? S13 C131 1.835(15) . ? S13 S14 3.640(6) . ? S14 C141 1.77(2) . ? S15 C151 1.720(17) . ? S15 Ag1 2.614(5) 2_655 ? S15 Ag18 2.698(5) 2_655 ? S15 S15 3.414(10) 2_655 ? S16 C161 1.795(19) . ? S16 S17 3.809(7) . ? S17 S18 3.611(7) . ? S18 C181 1.793(12) . ? S18 Ag25 2.409(6) 2_655 ? S19 C191 1.754(17) . ? S19 S20 3.690(6) . ? S20 S21 3.659(6) . ? S21 C211 1.821(18) . ? S22 Ag2C 2.275(5) 2_655 ? S22 Ag17 2.545(4) 2_655 ? S22 Ag2D 2.642(7) 2_655 ? S22 Ag18 2.642(4) 2_655 ? S22 S23 3.631(5) 2_655 ? S22 S23 3.631(5) . ? S23 C231 1.712(19) . ? S23 Ag2B 2.345(10) 2_655 ? S23 Ag2A 2.539(6) 2_655 ? S23 Ag18 2.710(5) 2_655 ? S31 Ag2A 2.349(8) 2_655 ? S31 Ag2F 2.559(6) 2_655 ? S31 Ag2D 2.727(7) 2_655 ? S31 Ag24 2.839(7) 2_655 ? S32 C301 1.68(3) . ? S33 C301 1.47(3) . ? C11 C16 1.34(2) . ? C11 C12 1.38(2) . ? C12 C13 1.46(3) . ? C13 C14 1.36(3) . ? C14 C15 1.37(3) . ? C14 C17 1.72(4) . ? C15 C16 1.51(3) . ? C17 C20 1.53(6) . ? C17 C18 1.53(4) . ? C17 C19 1.69(4) . ? C21 C22 1.30(2) . ? C21 C26 1.40(3) . ? C22 C23 1.38(3) . ? C23 C24 1.40(3) . ? C24 C25 1.51(3) . ? C24 C27 1.59(3) . ? C25 C26 1.43(3) . ? C27 C30 1.63(4) . ? C27 C29 1.65(4) . ? C27 C28 1.70(3) . ? C31 C32 1.3900 . ? C31 C36 1.3900 . ? C32 C33 1.3900 . ? C33 C34 1.3900 . ? C34 C35 1.3900 . ? C34 C37 1.518(12) . ? C35 C36 1.3900 . ? C37 C38 1.41(3) . ? C37 C39 1.52(4) . ? C37 C40 1.54(4) . ? C41 C46 1.34(3) . ? C41 C42 1.48(3) . ? C42 C43 1.43(3) . ? C43 C44 1.42(3) . ? C44 C45 1.37(3) . ? C44 C47 1.55(3) . ? C45 C46 1.42(3) . ? C47 C50 1.51(4) . ? C47 C49B 1.528(18) . ? C47 C50B 1.567(18) . ? C47 C48B 1.574(18) . ? C47 C49 1.63(4) . ? C47 C48 1.63(4) . ? C48 C49B 1.48(5) . ? C48 C50B 1.55(5) . ? C49 C49B 1.21(5) . ? C49 C48B 1.79(5) . ? C50 C48B 1.26(5) . ? C50 C50B 1.46(5) . ? C51 C56 1.34(3) . ? C51 C52 1.49(3) . ? C52 C53 1.48(3) . ? C53 C54 1.37(3) . ? C54 C55 1.54(4) . ? C54 C57 1.57(3) . ? C55 C56 1.38(3) . ? C57 C58 1.52(4) . ? C57 C60 1.65(3) . ? C57 C59 1.76(4) . ? C61 C66 1.34(3) . ? C61 C62 1.35(3) . ? C62 C63 1.44(3) . ? C63 C64 1.37(4) . ? C64 C65 1.40(4) . ? C64 C67 1.60(3) . ? C65 C66 1.49(4) . ? C67 C69 1.54(3) . ? C67 C70 1.59(4) . ? C67 C68 1.61(4) . ? C71 C76 1.46(3) . ? C71 C72 1.50(3) . ? C72 C73 1.45(3) . ? C73 C74 1.48(3) . ? C74 C75 1.37(3) . ? C74 C77 1.70(3) . ? C75 C76 1.39(3) . ? C77 C79 1.38(4) . ? C77 C80 1.47(4) . ? C77 C78 1.60(4) . ? C81 C82 1.3900 . ? C81 C86 1.3900 . ? C82 C83 1.3900 . ? C83 C84 1.3900 . ? C84 C85 1.3900 . ? C84 C87 1.565(18) . ? C85 C86 1.3900 . ? C87 C88 1.502(18) . ? C87 C89 1.523(18) . ? C87 C90 1.550(18) . ? C91 C92 1.37(2) . ? C91 C96 1.39(3) . ? C92 C93 1.46(2) . ? C93 C94 1.36(3) . ? C94 C95 1.38(3) . ? C94 C97 1.63(3) . ? C95 C96 1.41(3) . ? C97 C100 1.38(3) . ? C97 C98 1.51(3) . ? C97 C99 1.62(4) . ? C101 C102 1.34(3) . ? C101 C106 1.42(3) . ? C102 C103 1.65(4) . ? C103 C104 1.38(4) . ? C104 C105 1.29(3) . ? C104 C107 1.62(3) . ? C105 C106 1.45(3) . ? C107 C110 1.53(4) . ? C107 C108 1.58(4) . ? C107 C109 1.63(4) . ? C111 C112 1.35(3) . ? C111 C116 1.36(3) . ? C112 C113 1.44(3) . ? C113 C114 1.54(3) . ? C114 C115 1.32(3) . ? C114 C117 1.82(4) . ? C115 C116 1.50(3) . ? C117 C119 1.51(4) . ? C117 C118 1.53(5) . ? C117 C120 1.66(5) . ? C121 C122 1.3900 . ? C121 C126 1.3900 . ? C122 C123 1.3900 . ? C123 C124 1.3900 . ? C124 C125 1.3900 . ? C124 C127 1.74(3) . ? C125 C126 1.3900 . ? C127 C129 1.533(18) . ? C127 C128 1.554(18) . ? C127 C130 1.598(19) . ? C131 C132 1.30(3) . ? C131 C136 1.36(3) . ? C132 C133 1.41(3) . ? C133 C134 1.32(3) . ? C134 C135 1.32(3) . ? C134 C137 1.53(3) . ? C135 C136 1.41(3) . ? C137 C138 1.45(4) . ? C137 C139 1.52(3) . ? C137 C140 1.57(3) . ? C141 C142 1.42(3) . ? C141 C146 1.45(2) . ? C142 C143 1.37(3) . ? C143 C144 1.47(3) . ? C144 C145 1.37(3) . ? C144 C147 1.47(3) . ? C145 C146 1.35(3) . ? C147 C149 1.48(4) . ? C147 C148 1.62(4) . ? C147 C150 1.66(4) . ? C151 C152 1.32(3) . ? C151 C156 1.32(3) . ? C152 C153 1.37(3) . ? C153 C154 1.49(3) . ? C154 C155 1.38(3) . ? C154 C157 1.69(3) . ? C155 C156 1.39(3) . ? C157 C158 1.45(4) . ? C157 C159 1.59(5) . ? C157 C160 1.62(4) . ? C161 C162 1.40(3) . ? C161 C166 1.43(3) . ? C162 C163 1.47(3) . ? C163 C164 1.38(3) . ? C164 C165 1.36(3) . ? C164 C167 1.64(3) . ? C165 C166 1.39(3) . ? C167 C168 1.38(3) . ? C167 C170 1.53(5) . ? C167 C169 1.54(4) . ? C181 C182 1.3900 . ? C181 C186 1.3900 . ? C182 C183 1.3900 . ? C183 C184 1.3900 . ? C184 C185 1.3900 . ? C184 C187 1.74(4) . ? C185 C186 1.3900 . ? C187 C190 1.41(4) . ? C187 C189 1.44(4) . ? C187 C188 1.61(4) . ? C191 C196 1.33(2) . ? C191 C192 1.44(3) . ? C192 C193 1.44(3) . ? C193 C194 1.37(3) . ? C194 C195 1.45(3) . ? C194 C197 1.65(3) . ? C195 C196 1.39(2) . ? C197 C200 1.32(3) . ? C197 C199 1.44(3) . ? C197 C198 1.83(4) . ? C211 C212 1.36(3) . ? C211 C216 1.38(3) . ? C212 C213 1.34(3) . ? C213 C214 1.38(3) . ? C214 C215 1.38(3) . ? C214 C217 1.57(3) . ? C215 C216 1.42(3) . ? C217 C21B 1.532(18) . ? C217 C21C 1.538(18) . ? C217 C21A 1.558(18) . ? C217 C218 1.57(4) . ? C217 C219 1.59(5) . ? C217 C220 1.64(4) . ? C218 C21C 1.33(5) . ? C218 C21A 1.54(5) . ? C219 C21B 1.31(5) . ? C219 C21A 1.61(5) . ? C220 C21B 1.46(5) . ? C220 C21C 1.65(5) . ? C231 C232 1.36(3) . ? C231 C236 1.48(3) . ? C232 C233 1.50(3) . ? C233 C234 1.34(3) . ? C234 C235 1.32(3) . ? C234 C237 1.58(3) . ? C235 C236 1.39(3) . ? C237 C238 1.39(3) . ? C237 C239 1.45(3) . ? C237 C240 1.53(3) . ? O1 C402 1.22(2) . ? C401 C402 1.55(2) . ? C402 C403 1.54(2) . ? O2 C405 1.199(17) . ? C404 C405 1.545(17) . ? C405 C406 1.510(17) . ? O4 C411 1.212(17) . ? C410 C411 1.509(18) . ? C411 C412 1.513(18) . ? O5 C414 1.189(17) . ? C413 C414 1.524(18) . ? C414 C415 1.542(18) . ? N1 C503 1.475(17) . ? N1 C501 1.493(17) . ? N1 C505 1.498(18) . ? C501 C502 1.531(18) . ? C503 C504 1.546(19) . ? C505 C506 1.537(19) . ? N2A C509 1.446(16) . ? N2A C507 1.457(19) . ? N2A C511 1.458(19) . ? C507 C508 1.53(2) . ? C509 C510 1.545(19) . ? C510 N2B 1.56(3) . ? C510 C517 1.58(5) . ? C511 C512 1.54(2) . ? N2B C513 1.453(19) . ? N2B C515 1.453(17) . ? N2B C517 1.507(18) . ? C513 C514 1.54(2) . ? C515 C516 1.515(19) . ? C517 C518 1.530(19) . ? 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 S1 Ag1 S15 146.72(18) . . ? S1 Ag1 S15 127.21(18) . 2_655 ? S15 Ag1 S15 82.99(17) . 2_655 ? S1 Ag1 Ag17 125.36(14) . . ? S15 Ag1 Ag17 55.74(12) . . ? S15 Ag1 Ag17 93.30(11) 2_655 . ? S1 Ag1 Ag18 114.01(15) . . ? S15 Ag1 Ag18 95.10(12) . . ? S15 Ag1 Ag18 52.27(11) 2_655 . ? Ag17 Ag1 Ag18 59.88(5) . . ? S1 Ag1 Ag2 46.49(14) . . ? S15 Ag1 Ag2 129.69(12) . . ? S15 Ag1 Ag2 127.55(13) 2_655 . ? Ag17 Ag1 Ag2 80.80(5) . . ? Ag18 Ag1 Ag2 81.48(5) . . ? S1 Ag1 Ag1 147.90(14) . 2_655 ? S15 Ag1 Ag1 45.38(11) . 2_655 ? S15 Ag1 Ag1 43.73(12) 2_655 2_655 ? Ag17 Ag1 Ag1 86.43(5) . 2_655 ? Ag18 Ag1 Ag1 84.14(5) . 2_655 ? Ag2 Ag1 Ag1 164.24(4) . 2_655 ? S2 Ag2 S1 136.15(18) . . ? S2 Ag2 S13 98.13(16) . . ? S1 Ag2 S13 113.69(17) . . ? S2 Ag2 S14 112.16(17) . . ? S1 Ag2 S14 100.83(15) . . ? S13 Ag2 S14 84.13(14) . . ? S2 Ag2 Ag1 169.69(14) . . ? S1 Ag2 Ag1 44.30(12) . . ? S13 Ag2 Ag1 75.37(11) . . ? S14 Ag2 Ag1 75.54(11) . . ? S2 Ag2 Ag3 44.86(13) . . ? S1 Ag2 Ag3 170.43(14) . . ? S13 Ag2 Ag3 73.34(11) . . ? S14 Ag2 Ag3 72.84(11) . . ? Ag1 Ag2 Ag3 137.16(6) . . ? S2 Ag3 S12 145.8(2) . . ? S2 Ag3 S11 125.94(18) . . ? S12 Ag3 S11 83.10(17) . . ? S2 Ag3 Ag15 113.13(15) . . ? S12 Ag3 Ag15 98.50(14) . . ? S11 Ag3 Ag15 53.28(14) . . ? S2 Ag3 Ag16 126.68(14) . . ? S12 Ag3 Ag16 58.18(13) . . ? S11 Ag3 Ag16 94.23(12) . . ? Ag15 Ag3 Ag16 61.16(5) . . ? S2 Ag3 Ag2 46.43(13) . . ? S12 Ag3 Ag2 129.94(13) . . ? S11 Ag3 Ag2 131.72(15) . . ? Ag15 Ag3 Ag2 84.14(6) . . ? Ag16 Ag3 Ag2 81.31(6) . . ? S2 Ag3 Ag4 144.62(15) . . ? S12 Ag3 Ag4 42.38(12) . . ? S11 Ag3 Ag4 47.31(13) . . ? Ag15 Ag3 Ag4 89.26(6) . . ? Ag16 Ag3 Ag4 87.72(6) . . ? Ag2 Ag3 Ag4 168.92(6) . . ? S3 Ag4 S12 141.5(3) . . ? S3 Ag4 S11 134.3(3) . . ? S12 Ag4 S11 82.65(17) . . ? S3 Ag4 Ag5 52.39(17) . . ? S12 Ag4 Ag5 130.00(16) . . ? S11 Ag4 Ag5 115.50(13) . . ? S3 Ag4 Ag13 120.5(2) . . ? S12 Ag4 Ag13 90.16(14) . . ? S11 Ag4 Ag13 49.72(11) . . ? Ag5 Ag4 Ag13 73.21(5) . . ? S3 Ag4 Ag14 124.5(2) . . ? S12 Ag4 Ag14 51.36(15) . . ? S11 Ag4 Ag14 89.45(12) . . ? Ag5 Ag4 Ag14 81.20(6) . . ? Ag13 Ag4 Ag14 57.21(5) . . ? S3 Ag4 Ag3 152.40(19) . . ? S12 Ag4 Ag3 44.28(13) . . ? S11 Ag4 Ag3 44.93(11) . . ? Ag5 Ag4 Ag3 153.51(7) . . ? Ag13 Ag4 Ag3 80.66(5) . . ? Ag14 Ag4 Ag3 81.05(5) . . ? S3 Ag5 S4 114.5(2) . . ? S3 Ag5 S10 114.2(2) . . ? S4 Ag5 S10 104.59(16) . . ? S3 Ag5 S9 128.7(3) . . ? S4 Ag5 S9 99.60(17) . . ? S10 Ag5 S9 90.92(15) . . ? S3 Ag5 Ag4 51.51(17) . . ? S4 Ag5 Ag4 165.54(14) . . ? S10 Ag5 Ag4 81.11(12) . . ? S9 Ag5 Ag4 93.51(12) . . ? S3 Ag5 Ag6 155.02(17) . . ? S4 Ag5 Ag6 41.18(13) . . ? S10 Ag5 Ag6 83.53(12) . . ? S9 Ag5 Ag6 64.77(12) . . ? Ag4 Ag5 Ag6 153.14(7) . . ? S4 Ag6 S7 158.98(18) . . ? S4 Ag6 S8 116.79(19) . . ? S7 Ag6 S8 83.65(18) . . ? S4 Ag6 Ag12 101.16(13) . . ? S7 Ag6 Ag12 95.93(13) . . ? S8 Ag6 Ag12 49.91(13) . . ? S4 Ag6 Ag11 124.52(14) . . ? S7 Ag6 Ag11 54.06(12) . . ? S8 Ag6 Ag11 93.61(15) . . ? Ag12 Ag6 Ag11 63.27(5) . . ? S4 Ag6 Ag5 45.29(12) . . ? S7 Ag6 Ag5 132.55(14) . . ? S8 Ag6 Ag5 115.23(13) . . ? Ag12 Ag6 Ag5 71.47(5) . . ? Ag11 Ag6 Ag5 80.50(5) . . ? S4 Ag6 Ag7 153.14(14) . . ? S7 Ag6 Ag7 41.18(13) . . ? S8 Ag6 Ag7 47.00(13) . . ? Ag12 Ag6 Ag7 83.00(6) . . ? Ag11 Ag6 Ag7 81.25(6) . . ? Ag5 Ag6 Ag7 153.34(6) . . ? S5 Ag7 S7 157.71(19) . . ? S5 Ag7 S8 113.5(2) . . ? S7 Ag7 S8 84.49(17) . . ? S5 Ag7 Ag9 125.51(19) . . ? S7 Ag7 Ag9 63.83(13) . . ? S8 Ag7 Ag9 91.31(15) . . ? S5 Ag7 Ag8 46.68(18) . . ? S7 Ag7 Ag8 136.57(15) . . ? S8 Ag7 Ag8 119.28(14) . . ? Ag9 Ag7 Ag8 78.84(6) . . ? S5 Ag7 Ag10 105.22(16) . . ? S7 Ag7 Ag10 96.44(12) . . ? S8 Ag7 Ag10 49.73(14) . . ? Ag9 Ag7 Ag10 55.11(6) . . ? Ag8 Ag7 Ag10 78.08(6) . . ? S5 Ag7 Ag6 145.96(19) . . ? S7 Ag7 Ag6 40.74(13) . . ? S8 Ag7 Ag6 48.33(12) . . ? Ag9 Ag7 Ag6 86.85(6) . . ? Ag8 Ag7 Ag6 161.21(7) . . ? Ag10 Ag7 Ag6 83.77(6) . . ? S5 Ag8 S5 130.5(3) 2_655 . ? S5 Ag8 S6 112.97(18) 2_655 2_655 ? S5 Ag8 S6 103.20(17) . 2_655 ? S5 Ag8 S6 103.20(17) 2_655 . ? S5 Ag8 S6 112.97(18) . . ? S6 Ag8 S6 84.8(2) 2_655 . ? S5 Ag8 Ag7 164.91(15) 2_655 . ? S5 Ag8 Ag7 44.94(14) . . ? S6 Ag8 Ag7 81.34(12) 2_655 . ? S6 Ag8 Ag7 72.32(12) . . ? S6 Ag9 S17 151.92(17) . . ? S6 Ag9 Ag26 106.33(13) . . ? S17 Ag9 Ag26 52.92(12) . . ? S6 Ag9 S16 114.77(16) . . ? S17 Ag9 S16 86.79(15) . . ? Ag26 Ag9 S16 91.02(11) . . ? S6 Ag9 Ag11 154.05(13) . . ? S17 Ag9 Ag11 53.93(11) . . ? Ag26 Ag9 Ag11 96.04(7) . . ? S16 Ag9 Ag11 50.60(11) . . ? S6 Ag9 Ag25 87.28(14) . . ? S17 Ag9 Ag25 96.86(14) . . ? Ag26 Ag9 Ag25 63.40(6) . . ? S16 Ag9 Ag25 45.76(11) . . ? Ag11 Ag9 Ag25 91.23(7) . . ? S6 Ag9 Ag10 103.13(13) . . ? S17 Ag9 Ag10 56.08(12) . . ? Ag26 Ag9 Ag10 74.06(7) . . ? S16 Ag9 Ag10 141.89(12) . . ? Ag11 Ag9 Ag10 95.44(7) . . ? Ag25 Ag9 Ag10 137.40(9) . . ? S6 Ag9 S7 107.60(16) . . ? S17 Ag9 S7 92.64(16) . . ? Ag26 Ag9 S7 145.26(12) . . ? S16 Ag9 S7 81.51(15) . . ? Ag11 Ag9 S7 53.45(11) . . ? Ag25 Ag9 S7 125.34(12) . . ? Ag10 Ag9 S7 91.13(12) . . ? S6 Ag9 Ag7 78.25(13) . . ? S17 Ag9 Ag7 104.52(13) . . ? Ag26 Ag9 Ag7 138.22(7) . . ? S16 Ag9 Ag7 125.56(12) . . ? Ag11 Ag9 Ag7 93.90(7) . . ? Ag25 Ag9 Ag7 156.71(8) . . ? Ag10 Ag9 Ag7 64.64(7) . . ? S7 Ag9 Ag7 45.58(10) . . ? S6 Ag10 S8 123.4(2) 2_655 . ? S6 Ag10 S17 126.88(18) 2_655 . ? S8 Ag10 S17 96.58(17) . . ? S6 Ag10 S18 118.99(17) 2_655 . ? S8 Ag10 S18 98.57(18) . . ? S17 Ag10 S18 82.63(16) . . ? S6 Ag10 Ag12 175.16(17) 2_655 . ? S8 Ag10 Ag12 51.96(14) . . ? S17 Ag10 Ag12 55.27(12) . . ? S18 Ag10 Ag12 64.86(12) . . ? S6 Ag10 Ag9 88.81(13) 2_655 . ? S8 Ag10 Ag9 97.05(14) . . ? S17 Ag10 Ag9 49.50(11) . . ? S18 Ag10 Ag9 130.97(14) . . ? Ag12 Ag10 Ag9 90.39(7) . . ? S6 Ag10 Ag25 84.18(14) 2_655 2_655 ? S8 Ag10 Ag25 144.93(15) . 2_655 ? S17 Ag10 Ag25 78.94(12) . 2_655 ? S18 Ag10 Ag25 46.44(13) . 2_655 ? Ag12 Ag10 Ag25 100.63(9) . 2_655 ? Ag9 Ag10 Ag25 105.42(9) . 2_655 ? S6 Ag10 Ag7 85.42(13) 2_655 . ? S8 Ag10 Ag7 51.92(13) . . ? S17 Ag10 Ag7 96.26(11) . . ? S18 Ag10 Ag7 150.30(15) . . ? Ag12 Ag10 Ag7 90.03(7) . . ? Ag9 Ag10 Ag7 60.25(6) . . ? Ag25 Ag10 Ag7 162.48(9) 2_655 . ? S6 Ag10 Ag26 87.78(13) 2_655 . ? S8 Ag10 Ag26 137.17(13) . . ? S17 Ag10 Ag26 42.10(11) . . ? S18 Ag10 Ag26 88.13(14) . . ? Ag12 Ag10 Ag26 95.42(7) . . ? Ag9 Ag10 Ag26 50.94(5) . . ? Ag25 Ag10 Ag26 54.64(6) 2_655 . ? Ag7 Ag10 Ag26 110.93(7) . . ? S9 Ag11 S17 123.66(17) . . ? S9 Ag11 S16 130.09(17) . . ? S17 Ag11 S16 94.10(17) . . ? S9 Ag11 S7 107.70(17) . . ? S17 Ag11 S7 98.20(16) . . ? S16 Ag11 S7 96.18(17) . . ? S9 Ag11 Ag9 165.63(14) . . ? S17 Ag11 Ag9 50.31(12) . . ? S16 Ag11 Ag9 63.98(13) . . ? S7 Ag11 Ag9 64.01(12) . . ? S9 Ag11 Ag2E 94.13(13) . . ? S17 Ag11 Ag2E 43.35(13) . . ? S16 Ag11 Ag2E 93.56(14) . . ? S7 Ag11 Ag2E 140.99(14) . . ? Ag9 Ag11 Ag2E 87.14(8) . . ? S9 Ag11 Ag6 70.55(12) . . ? S17 Ag11 Ag6 97.58(12) . . ? S16 Ag11 Ag6 141.21(14) . . ? S7 Ag11 Ag6 45.62(12) . . ? Ag9 Ag11 Ag6 96.40(6) . . ? Ag2E Ag11 Ag6 119.88(9) . . ? S9 Ag11 Ag12 83.84(12) . . ? S17 Ag11 Ag12 50.17(12) . . ? S16 Ag11 Ag12 143.33(13) . . ? S7 Ag11 Ag12 83.26(12) . . ? Ag9 Ag11 Ag12 83.49(6) . . ? Ag2E Ag11 Ag12 67.03(8) . . ? Ag6 Ag11 Ag12 54.01(5) . . ? S9 Ag11 Ag22 100.01(13) . . ? S17 Ag11 Ag22 85.73(12) . . ? S16 Ag11 Ag22 46.95(12) . . ? S7 Ag11 Ag22 143.12(13) . . ? Ag9 Ag11 Ag22 92.73(7) . . ? Ag2E Ag11 Ag22 57.21(8) . . ? Ag6 Ag11 Ag22 170.30(7) . . ? Ag12 Ag11 Ag22 124.23(7) . . ? S9 Ag11 Ag2F 104.82(12) . . ? S17 Ag11 Ag2F 41.23(12) . . ? S16 Ag11 Ag2F 81.73(13) . . ? S7 Ag11 Ag2F 138.45(13) . . ? Ag9 Ag11 Ag2F 78.39(7) . . ? Ag2E Ag11 Ag2F 12.48(8) . . ? Ag6 Ag11 Ag2F 129.16(7) . . ? Ag12 Ag11 Ag2F 75.20(7) . . ? Ag22 Ag11 Ag2F 49.81(6) . . ? S10 Ag12 S8 139.1(2) . . ? S10 Ag12 S17 118.48(17) . . ? S8 Ag12 S17 101.12(19) . . ? S10 Ag12 Ag10 157.33(13) . . ? S8 Ag12 Ag10 56.88(16) . . ? S17 Ag12 Ag10 55.91(12) . . ? S10 Ag12 Ag6 99.47(12) . . ? S8 Ag12 Ag6 59.01(13) . . ? S17 Ag12 Ag6 103.64(11) . . ? Ag10 Ag12 Ag6 103.20(8) . . ? S10 Ag12 S18 103.96(15) . . ? S8 Ag12 S18 94.04(17) . . ? S17 Ag12 S18 76.93(14) . . ? Ag10 Ag12 S18 54.09(11) . . ? Ag6 Ag12 S18 152.88(13) . . ? S10 Ag12 Ag11 99.96(12) . . ? S8 Ag12 Ag11 99.04(14) . . ? S17 Ag12 Ag11 48.15(10) . . ? Ag10 Ag12 Ag11 90.62(7) . . ? Ag6 Ag12 Ag11 62.71(5) . . ? S18 Ag12 Ag11 124.97(12) . . ? S10 Ag12 Ag2E 81.79(13) . . ? S8 Ag12 Ag2E 137.71(17) . . ? S17 Ag12 Ag2E 36.82(12) . . ? Ag10 Ag12 Ag2E 88.67(9) . . ? Ag6 Ag12 Ag2E 115.26(8) . . ? S18 Ag12 Ag2E 81.80(12) . . ? Ag11 Ag12 Ag2E 53.61(7) . . ? S10 Ag12 Ag24 77.68(12) . . ? S8 Ag12 Ag24 132.15(15) . . ? S17 Ag12 Ag24 65.57(11) . . ? Ag10 Ag12 Ag24 80.50(8) . . ? Ag6 Ag12 Ag24 164.40(7) . . ? S18 Ag12 Ag24 39.23(11) . . ? Ag11 Ag12 Ag24 102.39(7) . . ? Ag2E Ag12 Ag24 49.29(7) . . ? S10 Ag12 Ag2F 88.35(12) . . ? S8 Ag12 Ag2F 132.31(16) . . ? S17 Ag12 Ag2F 31.76(11) . . ? Ag10 Ag12 Ag2F 80.00(8) . . ? Ag6 Ag12 Ag2F 121.55(7) . . ? S18 Ag12 Ag2F 73.01(11) . . ? Ag11 Ag12 Ag2F 58.88(6) . . ? Ag2E Ag12 Ag2F 9.82(7) . . ? Ag24 Ag12 Ag2F 43.57(6) . . ? S9 Ag13 S20 140.01(18) . . ? S9 Ag13 S11 117.57(19) . . ? S20 Ag13 S11 96.25(16) . . ? S9 Ag13 S19 115.99(16) . . ? S20 Ag13 S19 83.80(16) . . ? S11 Ag13 S19 88.11(17) . . ? S9 Ag13 Ag15 163.78(13) . . ? S20 Ag13 Ag15 55.62(12) . . ? S11 Ag13 Ag15 53.63(13) . . ? S19 Ag13 Ag15 54.21(11) . . ? S9 Ag13 Ag2E 96.45(14) . . ? S20 Ag13 Ag2E 45.92(13) . . ? S11 Ag13 Ag2E 141.69(14) . . ? S19 Ag13 Ag2E 92.46(13) . . ? Ag15 Ag13 Ag2E 96.89(9) . . ? S9 Ag13 Ag14 103.65(12) . . ? S20 Ag13 Ag14 50.48(13) . . ? S11 Ag13 Ag14 93.41(12) . . ? S19 Ag13 Ag14 134.18(11) . . ? Ag15 Ag13 Ag14 91.04(6) . . ? Ag2E Ag13 Ag14 59.84(9) . . ? S9 Ag13 Ag4 86.83(13) . . ? S20 Ag13 Ag4 101.10(12) . . ? S11 Ag13 Ag4 49.97(13) . . ? S19 Ag13 Ag4 138.01(13) . . ? Ag15 Ag13 Ag4 94.16(6) . . ? Ag2E Ag13 Ag4 120.99(9) . . ? Ag14 Ag13 Ag4 62.18(7) . . ? S9 Ag13 Ag22 96.75(13) . . ? S20 Ag13 Ag22 74.45(12) . . ? S11 Ag13 Ag22 129.56(14) . . ? S19 Ag13 Ag22 42.19(11) . . ? Ag15 Ag13 Ag22 83.15(6) . . ? Ag2E Ag13 Ag22 56.09(8) . . ? Ag14 Ag13 Ag22 114.20(8) . . ? Ag4 Ag13 Ag22 175.54(7) . . ? S9 Ag13 Ag2F 106.94(13) . . ? S20 Ag13 Ag2F 38.33(11) . . ? S11 Ag13 Ag2F 134.13(13) . . ? S19 Ag13 Ag2F 81.91(12) . . ? Ag15 Ag13 Ag2F 85.40(7) . . ? Ag2E Ag13 Ag2F 12.41(8) . . ? Ag14 Ag13 Ag2F 64.65(7) . . ? Ag4 Ag13 Ag2F 126.81(7) . . ? Ag22 Ag13 Ag2F 49.57(6) . . ? S10 Ag14 S21 129.37(18) . . ? S10 Ag14 S20 126.33(17) . . ? S21 Ag14 S20 89.07(16) . . ? S10 Ag14 S12 110.13(18) . . ? S21 Ag14 S12 99.23(17) . . ? S20 Ag14 S12 95.45(16) . . ? S10 Ag14 Ag16 168.31(16) . . ? S21 Ag14 Ag16 61.42(12) . . ? S20 Ag14 Ag16 52.31(11) . . ? S12 Ag14 Ag16 60.38(12) . . ? S10 Ag14 Ag24 91.98(14) . . ? S21 Ag14 Ag24 50.61(13) . . ? S20 Ag14 Ag24 87.00(13) . . ? S12 Ag14 Ag24 149.78(13) . . ? Ag16 Ag14 Ag24 99.39(8) . . ? S10 Ag14 Ag2E 91.50(15) . . ? S21 Ag14 Ag2E 93.50(16) . . ? S20 Ag14 Ag2E 44.24(13) . . ? S12 Ag14 Ag2E 137.59(14) . . ? Ag16 Ag14 Ag2E 92.21(9) . . ? Ag24 Ag14 Ag2E 58.21(9) . . ? S10 Ag14 Ag13 85.42(12) . . ? S21 Ag14 Ag13 137.15(14) . . ? S20 Ag14 Ag13 48.11(11) . . ? S12 Ag14 Ag13 88.02(12) . . ? Ag16 Ag14 Ag13 87.34(6) . . ? Ag24 Ag14 Ag13 114.88(9) . . ? Ag2E Ag14 Ag13 56.85(8) . . ? S10 Ag14 Ag4 73.54(13) . . ? S21 Ag14 Ag4 143.26(15) . . ? S20 Ag14 Ag4 97.91(12) . . ? S12 Ag14 Ag4 44.35(11) . . ? Ag16 Ag14 Ag4 94.90(8) . . ? Ag24 Ag14 Ag4 164.86(8) . . ? Ag2E Ag14 Ag4 116.51(10) . . ? Ag13 Ag14 Ag4 60.61(6) . . ? S10 Ag14 Ag2F 104.19(14) . . ? S21 Ag14 Ag2F 79.94(15) . . ? S20 Ag14 Ag2F 39.55(11) . . ? S12 Ag14 Ag2F 134.75(13) . . ? Ag16 Ag14 Ag2F 81.10(7) . . ? Ag24 Ag14 Ag2F 51.81(7) . . ? Ag2E Ag14 Ag2F 14.57(7) . . ? Ag13 Ag14 Ag2F 65.99(7) . . ? Ag4 Ag14 Ag2F 126.58(8) . . ? S13 Ag15 S11 124.22(17) . . ? S13 Ag15 S20 125.87(16) . . ? S11 Ag15 S20 94.45(17) . . ? S13 Ag15 S19 122.27(17) . . ? S11 Ag15 S19 94.15(17) . . ? S20 Ag15 S19 85.75(15) . . ? S13 Ag15 Ag19 84.48(13) . . ? S11 Ag15 Ag19 143.15(13) . . ? S20 Ag15 Ag19 83.28(12) . . ? S19 Ag15 Ag19 49.00(12) . . ? S13 Ag15 Ag13 176.29(13) . . ? S11 Ag15 Ag13 55.49(12) . . ? S20 Ag15 Ag13 51.47(11) . . ? S19 Ag15 Ag13 61.07(12) . . ? Ag19 Ag15 Ag13 97.41(7) . . ? S13 Ag15 Ag3 82.03(12) . . ? S11 Ag15 Ag3 52.29(12) . . ? S20 Ag15 Ag3 98.51(12) . . ? S19 Ag15 Ag3 146.30(14) . . ? Ag19 Ag15 Ag3 164.50(8) . . ? Ag13 Ag15 Ag3 95.66(7) . . ? S13 Ag15 Ag16 89.00(11) . . ? S11 Ag15 Ag16 93.60(12) . . ? S20 Ag15 Ag16 48.43(10) . . ? S19 Ag15 Ag16 133.98(12) . . ? Ag19 Ag15 Ag16 111.11(8) . . ? Ag13 Ag15 Ag16 87.35(6) . . ? Ag3 Ag15 Ag16 61.18(6) . . ? S13 Ag15 Ag2C 87.71(12) . . ? S11 Ag15 Ag2C 136.16(13) . . ? S20 Ag15 Ag2C 42.63(12) . . ? S19 Ag15 Ag2C 91.27(13) . . ? Ag19 Ag15 Ag2C 57.18(7) . . ? Ag13 Ag15 Ag2C 90.64(7) . . ? Ag3 Ag15 Ag2C 114.48(7) . . ? Ag16 Ag15 Ag2C 54.07(6) . . ? S13 Ag15 Ag2D 98.63(12) . . ? S11 Ag15 Ag2D 131.13(13) . . ? S20 Ag15 Ag2D 37.18(13) . . ? S19 Ag15 Ag2D 79.17(13) . . ? Ag19 Ag15 Ag2D 51.62(7) . . ? Ag13 Ag15 Ag2D 80.18(7) . . ? Ag3 Ag15 Ag2D 123.22(8) . . ? Ag16 Ag15 Ag2D 62.06(7) . . ? Ag2C Ag15 Ag2D 13.21(7) . . ? S14 Ag16 S20 142.86(19) . . ? S14 Ag16 S21 119.75(16) . . ? S20 Ag16 S21 85.51(16) . . ? S14 Ag16 S12 110.72(17) . . ? S20 Ag16 S12 94.70(17) . . ? S21 Ag16 S12 90.10(17) . . ? S14 Ag16 Ag14 161.07(14) . . ? S20 Ag16 Ag14 55.94(14) . . ? S21 Ag16 Ag14 52.63(11) . . ? S12 Ag16 Ag14 55.89(13) . . ? S14 Ag16 Ag2C 100.85(13) . . ? S20 Ag16 Ag2C 47.60(13) . . ? S21 Ag16 Ag2C 92.62(14) . . ? S12 Ag16 Ag2C 141.73(13) . . ? Ag14 Ag16 Ag2C 96.99(8) . . ? S14 Ag16 Ag2B 92.67(19) . . ? S20 Ag16 Ag2B 89.0(2) . . ? S21 Ag16 Ag2B 43.16(19) . . ? S12 Ag16 Ag2B 132.7(2) . . ? Ag14 Ag16 Ag2B 89.49(17) . . ? Ag2C Ag16 Ag2B 63.90(17) . . ? S14 Ag16 Ag15 99.33(12) . . ? S20 Ag16 Ag15 52.89(12) . . ? S21 Ag16 Ag15 138.17(12) . . ? S12 Ag16 Ag15 89.36(11) . . ? Ag14 Ag16 Ag15 94.12(6) . . ? Ag2C Ag16 Ag15 64.01(7) . . ? Ag2B Ag16 Ag15 127.84(18) . . ? S14 Ag16 Ag3 79.96(12) . . ? S20 Ag16 Ag3 99.09(12) . . ? S21 Ag16 Ag3 138.59(14) . . ? S12 Ag16 Ag3 48.61(12) . . ? Ag14 Ag16 Ag3 96.33(7) . . ? Ag2C Ag16 Ag3 120.79(8) . . ? Ag2B Ag16 Ag3 171.80(18) . . ? Ag15 Ag16 Ag3 57.66(6) . . ? S14 Ag16 Ag2A 101.71(12) . . ? S20 Ag16 Ag2A 76.94(12) . . ? S21 Ag16 Ag2A 44.15(13) . . ? S12 Ag16 Ag2A 133.50(13) . . ? Ag14 Ag16 Ag2A 83.47(7) . . ? Ag2C Ag16 Ag2A 54.75(7) . . ? Ag2B Ag16 Ag2A 12.04(16) . . ? Ag15 Ag16 Ag2A 117.73(7) . . ? Ag3 Ag16 Ag2A 175.37(8) . . ? S14 Ag16 Ag2D 111.77(13) . . ? S20 Ag16 Ag2D 42.27(13) . . ? S21 Ag16 Ag2D 79.13(14) . . ? S12 Ag16 Ag2D 135.85(13) . . ? Ag14 Ag16 Ag2D 84.91(8) . . ? Ag2C Ag16 Ag2D 14.35(7) . . ? Ag2B Ag16 Ag2D 55.96(18) . . ? Ag15 Ag16 Ag2D 72.56(8) . . ? Ag3 Ag16 Ag2D 130.19(8) . . ? Ag2A Ag16 Ag2D 45.19(7) . . ? S13 Ag17 S22 136.88(15) . . ? S13 Ag17 S15 120.53(16) . . ? S22 Ag17 S15 94.63(15) . . ? S13 Ag17 S23 119.41(15) . . ? S22 Ag17 S23 83.55(12) . . ? S15 Ag17 S23 87.19(16) . . ? S13 Ag17 Ag2C 94.22(13) . . ? S22 Ag17 Ag2C 46.47(12) . . ? S15 Ag17 Ag2C 140.97(11) . . ? S23 Ag17 Ag2C 90.62(13) . . ? S13 Ag17 Ag19 84.00(12) . . ? S22 Ag17 Ag19 87.59(13) . . ? S15 Ag17 Ag19 135.14(13) . . ? S23 Ag17 Ag19 48.47(11) . . ? Ag2C Ag17 Ag19 59.45(7) . . ? S13 Ag17 Ag18 168.56(13) . 2_655 ? S22 Ag17 Ag18 54.03(7) . 2_655 ? S15 Ag17 Ag18 54.15(11) . 2_655 ? S23 Ag17 Ag18 53.10(10) . 2_655 ? Ag2C Ag17 Ag18 94.50(7) . 2_655 ? Ag19 Ag17 Ag18 94.08(7) . 2_655 ? S13 Ag17 Ag1 84.80(12) . . ? S22 Ag17 Ag1 102.49(13) . . ? S15 Ag17 Ag1 50.51(11) . . ? S23 Ag17 Ag1 137.38(12) . . ? Ag2C Ag17 Ag1 124.26(8) . . ? Ag19 Ag17 Ag1 168.48(7) . . ? Ag18 Ag17 Ag1 96.36(6) 2_655 . ? S13 Ag17 Ag18 97.60(12) . . ? S22 Ag17 Ag18 52.65(7) . . ? S15 Ag17 Ag18 93.75(11) . . ? S23 Ag17 Ag18 136.16(11) . . ? Ag2C Ag17 Ag18 62.19(6) . . ? Ag19 Ag17 Ag18 121.56(7) . . ? Ag18 Ag17 Ag18 93.02(6) 2_655 . ? Ag1 Ag17 Ag18 62.75(5) . . ? S13 Ag17 Ag2D 106.80(13) . . ? S22 Ag17 Ag2D 38.52(13) . . ? S15 Ag17 Ag2D 131.55(12) . . ? S23 Ag17 Ag2D 77.83(13) . . ? Ag2C Ag17 Ag2D 14.75(8) . . ? Ag19 Ag17 Ag2D 55.15(7) . . ? Ag18 Ag17 Ag2D 80.96(7) 2_655 . ? Ag1 Ag17 Ag2D 131.52(8) . . ? Ag18 Ag17 Ag2D 69.03(7) . . ? S14 Ag18 S22 131.61(13) . . ? S14 Ag18 S15 118.80(16) . 2_655 ? S22 Ag18 S15 92.91(16) . 2_655 ? S14 Ag18 S23 125.58(17) . 2_655 ? S22 Ag18 S23 85.42(14) . 2_655 ? S15 Ag18 S23 91.38(15) 2_655 2_655 ? S14 Ag18 Ag2B 92.3(2) . . ? S22 Ag18 Ag2B 83.9(2) . . ? S15 Ag18 Ag2B 138.7(2) 2_655 . ? S23 Ag18 Ag2B 47.32(19) 2_655 . ? S14 Ag18 Ag17 173.40(13) . 2_655 ? S22 Ag18 Ag17 51.22(7) . 2_655 ? S15 Ag18 Ag17 54.74(11) 2_655 2_655 ? S23 Ag18 Ag17 58.54(12) 2_655 2_655 ? Ag2B Ag18 Ag17 94.0(2) . 2_655 ? S14 Ag18 Ag17 91.80(12) . . ? S22 Ag18 Ag17 49.97(7) . . ? S15 Ag18 Ag17 89.85(12) 2_655 . ? S23 Ag18 Ag17 135.37(13) 2_655 . ? Ag2B Ag18 Ag17 117.45(15) . . ? Ag17 Ag18 Ag17 86.98(6) 2_655 . ? S14 Ag18 Ag2C 93.08(12) . . ? S22 Ag18 Ag2C 43.67(11) . . ? S15 Ag18 Ag2C 135.32(13) 2_655 . ? S23 Ag18 Ag2C 94.16(13) 2_655 . ? Ag2B Ag18 Ag2C 60.95(15) . . ? Ag17 Ag18 Ag2C 91.65(7) 2_655 . ? Ag17 Ag18 Ag2C 56.51(6) . . ? S14 Ag18 Ag1 81.24(12) . . ? S22 Ag18 Ag1 95.96(13) . . ? S15 Ag18 Ag1 50.01(11) 2_655 . ? S23 Ag18 Ag1 141.38(13) 2_655 . ? Ag2B Ag18 Ag1 171.30(17) . . ? Ag17 Ag18 Ag1 92.66(6) 2_655 . ? Ag17 Ag18 Ag1 57.37(5) . . ? Ag2C Ag18 Ag1 113.32(7) . . ? S14 Ag18 Ag2A 105.49(13) . . ? S22 Ag18 Ag2A 70.55(13) . . ? S15 Ag18 Ag2A 130.88(12) 2_655 . ? S23 Ag18 Ag2A 43.03(12) 2_655 . ? Ag2B Ag18 Ag2A 14.63(19) . . ? Ag17 Ag18 Ag2A 81.01(7) 2_655 . ? Ag17 Ag18 Ag2A 109.83(6) . . ? Ag2C Ag18 Ag2A 55.13(6) . . ? Ag1 Ag18 Ag2A 166.26(7) . . ? S14 Ag18 Ag2D 106.05(13) . . ? S22 Ag18 Ag2D 36.93(13) . . ? S15 Ag18 Ag2D 129.27(13) 2_655 . ? S23 Ag18 Ag2D 80.15(13) 2_655 . ? Ag2B Ag18 Ag2D 53.84(17) . . ? Ag17 Ag18 Ag2D 79.32(7) 2_655 . ? Ag17 Ag18 Ag2D 65.16(7) . . ? Ag2C Ag18 Ag2D 15.22(6) . . ? Ag1 Ag18 Ag2D 122.31(8) . . ? Ag2A Ag18 Ag2D 44.67(7) . . ? S19 Ag19 S23 154.88(18) . . ? S19 Ag19 Ag2A 128.07(16) . 2_655 ? S23 Ag19 Ag2A 55.32(14) . 2_655 ? S19 Ag19 Ag15 59.36(14) . . ? S23 Ag19 Ag15 134.04(15) . . ? Ag2A Ag19 Ag15 148.04(9) 2_655 . ? S19 Ag19 Ag2C 105.16(14) . . ? S23 Ag19 Ag2C 99.96(13) . . ? Ag2A Ag19 Ag2C 82.64(8) 2_655 . ? Ag15 Ag19 Ag2C 66.08(7) . . ? S19 Ag19 Ag17 132.83(16) . . ? S23 Ag19 Ag17 61.45(13) . . ? Ag2A Ag19 Ag17 96.11(8) 2_655 . ? Ag15 Ag19 Ag17 74.52(7) . . ? Ag2C Ag19 Ag17 60.11(6) . . ? S19 Ag19 Ag22 50.98(14) . . ? S23 Ag19 Ag22 131.27(16) . . ? Ag2A Ag19 Ag22 78.77(9) 2_655 . ? Ag15 Ag19 Ag22 93.29(7) . . ? Ag2C Ag19 Ag22 88.25(7) . . ? Ag17 Ag19 Ag22 148.36(8) . . ? S19 Ag19 Ag2D 105.63(15) . . ? S23 Ag19 Ag2D 97.52(14) . . ? Ag2A Ag19 Ag2D 63.49(10) 2_655 . ? Ag15 Ag19 Ag2D 84.57(9) . . ? Ag2C Ag19 Ag2D 23.32(8) . . ? Ag17 Ag19 Ag2D 77.48(8) . . ? Ag22 Ag19 Ag2D 72.30(8) . . ? S19 Ag19 S31 94.43(17) . . ? S23 Ag19 S31 95.72(18) . . ? Ag2A Ag19 S31 40.85(13) 2_655 . ? Ag15 Ag19 S31 115.06(12) . . ? Ag2C Ag19 S31 66.71(11) . . ? Ag17 Ag19 S31 114.75(11) . . ? Ag22 Ag19 S31 44.06(11) . . ? Ag2D Ag19 S31 43.56(11) . . ? S19 Ag19 Ag2B 141.0(2) . 2_655 ? S23 Ag19 Ag2B 40.34(19) . 2_655 ? Ag2A Ag19 Ag2B 15.02(13) 2_655 2_655 ? Ag15 Ag19 Ag2B 151.40(13) . 2_655 ? Ag2C Ag19 Ag2B 86.37(13) . 2_655 ? Ag17 Ag19 Ag2B 85.42(14) . 2_655 ? Ag22 Ag19 Ag2B 93.40(16) . 2_655 ? Ag2D Ag19 Ag2B 71.12(14) . 2_655 ? S31 Ag19 Ag2B 55.53(18) . 2_655 ? Ag2B Ag2A S31 152.3(5) . 2_655 ? Ag2B Ag2A S23 67.3(5) . 2_655 ? S31 Ag2A S23 136.3(3) 2_655 2_655 ? Ag2B Ag2A S21 51.5(5) . . ? S31 Ag2A S21 108.7(2) 2_655 . ? S23 Ag2A S21 114.9(2) 2_655 . ? Ag2B Ag2A Ag19 120.1(5) . 2_655 ? S31 Ag2A Ag19 84.4(2) 2_655 2_655 ? S23 Ag2A Ag19 52.91(14) 2_655 2_655 ? S21 Ag2A Ag19 161.37(14) . 2_655 ? Ag2B Ag2A Ag2D 103.0(4) . . ? S31 Ag2A Ag2D 58.90(16) 2_655 . ? S23 Ag2A Ag2D 110.72(15) 2_655 . ? S21 Ag2A Ag2D 102.91(14) . . ? Ag19 Ag2A Ag2D 95.16(12) 2_655 . ? Ag2B Ag2A Ag24 101.3(5) . . ? S31 Ag2A Ag24 59.97(19) 2_655 . ? S23 Ag2A Ag24 160.19(17) 2_655 . ? S21 Ag2A Ag24 50.20(13) . . ? Ag19 Ag2A Ag24 136.59(13) 2_655 . ? Ag2D Ag2A Ag24 87.17(10) . . ? Ag2B Ag2A Ag2C 78.4(4) . . ? S31 Ag2A Ag2C 83.06(15) 2_655 . ? S23 Ag2A Ag2C 97.81(14) 2_655 . ? S21 Ag2A Ag2C 90.44(13) . . ? Ag19 Ag2A Ag2C 104.55(10) 2_655 . ? Ag2D Ag2A Ag2C 24.79(9) . . ? Ag24 Ag2A Ag2C 95.45(8) . . ? Ag2B Ag2A Ag18 46.1(5) . . ? S31 Ag2A Ag18 132.98(17) 2_655 . ? S23 Ag2A Ag18 46.74(12) 2_655 . ? S21 Ag2A Ag18 93.92(14) . . ? Ag19 Ag2A Ag18 85.88(8) 2_655 . ? Ag2D Ag2A Ag18 76.42(9) . . ? Ag24 Ag2A Ag18 136.13(11) . . ? Ag2C Ag2A Ag18 55.39(6) . . ? Ag2B Ag2A Ag16 36.7(4) . . ? S31 Ag2A Ag16 116.42(17) 2_655 . ? S23 Ag2A Ag16 94.66(14) 2_655 . ? S21 Ag2A Ag16 47.83(12) . . ? Ag19 Ag2A Ag16 138.29(9) 2_655 . ? Ag2D Ag2A Ag16 70.45(10) . . ? Ag24 Ag2A Ag16 83.12(9) . . ? Ag2C Ag2A Ag16 48.73(7) . . ? Ag18 Ag2A Ag16 53.11(5) . . ? Ag2A Ag2B S21 106.0(6) . . ? Ag2A Ag2B S23 87.6(6) . 2_655 ? S21 Ag2B S23 153.1(4) . 2_655 ? Ag2A Ag2B Ag18 119.3(6) . . ? S21 Ag2B Ag18 127.5(4) . . ? S23 Ag2B Ag18 58.2(2) 2_655 . ? Ag2A Ag2B Ag16 131.3(5) . . ? S21 Ag2B Ag16 63.4(3) . . ? S23 Ag2B Ag16 124.0(4) 2_655 . ? Ag18 Ag2B Ag16 67.05(18) . . ? Ag2A Ag2B Ag2C 82.4(4) . . ? S21 Ag2B Ag2C 101.6(3) . . ? S23 Ag2B Ag2C 103.2(3) 2_655 . ? Ag18 Ag2B Ag2C 62.54(15) . . ? Ag16 Ag2B Ag2C 56.76(14) . . ? Ag2A Ag2B Ag2D 59.4(4) . . ? S21 Ag2B Ag2D 103.4(3) . . ? S23 Ag2B Ag2D 103.6(3) 2_655 . ? Ag18 Ag2B Ag2D 80.32(18) . . ? Ag16 Ag2B Ag2D 76.38(17) . . ? Ag2C Ag2B Ag2D 23.32(9) . . ? Ag2A Ag2B Ag24 61.3(5) . . ? S21 Ag2B Ag24 45.2(2) . . ? S23 Ag2B Ag24 144.9(4) 2_655 . ? Ag18 Ag2B Ag24 150.3(2) . . ? Ag16 Ag2B Ag24 90.3(2) . . ? Ag2C Ag2B Ag24 89.27(19) . . ? Ag2D Ag2B Ag24 75.58(18) . . ? Ag2A Ag2B Ag19 44.9(5) . 2_655 ? S21 Ag2B Ag19 146.3(4) . 2_655 ? S23 Ag2B Ag19 42.9(2) 2_655 2_655 ? Ag18 Ag2B Ag19 86.1(2) . 2_655 ? Ag16 Ag2B Ag19 145.2(3) . 2_655 ? Ag2C Ag2B Ag19 91.8(2) . 2_655 ? Ag2D Ag2B Ag19 77.6(2) . 2_655 ? Ag24 Ag2B Ag19 105.1(3) . 2_655 ? Ag2D Ag2C S20 96.4(2) . . ? Ag2D Ag2C S22 89.3(2) . . ? S20 Ag2C S22 173.2(2) . . ? Ag2D Ag2C Ag2D 28.13(17) . 2_655 ? S20 Ag2C Ag2D 124.30(17) . 2_655 ? S22 Ag2C Ag2D 61.26(16) . 2_655 ? Ag2D Ag2C Ag2F 38.40(19) . . ? S20 Ag2C Ag2F 58.06(14) . . ? S22 Ag2C Ag2F 127.54(17) . . ? Ag2D Ag2C Ag2F 66.31(11) 2_655 . ? Ag2D Ag2C Ag16 132.8(2) . . ? S20 Ag2C Ag16 54.41(13) . . ? S22 Ag2C Ag16 118.82(14) . . ? Ag2D Ag2C Ag16 143.62(12) 2_655 . ? Ag2F Ag2C Ag16 101.99(10) . . ? Ag2D Ag2C Ag19 94.5(2) . . ? S20 Ag2C Ag19 89.78(14) . . ? S22 Ag2C Ag19 93.42(9) . . ? Ag2D Ag2C Ag19 97.23(12) 2_655 . ? Ag2F Ag2C Ag19 94.58(10) . . ? Ag16 Ag2C Ag19 118.50(9) . . ? Ag2D Ag2C Ag17 130.3(2) . . ? S20 Ag2C Ag17 123.06(15) . . ? S22 Ag2C Ag17 54.21(12) . . ? Ag2D Ag2C Ag17 107.83(12) 2_655 . ? Ag2F Ag2C Ag17 154.19(12) . . ? Ag16 Ag2C Ag17 96.36(9) . . ? Ag19 Ag2C Ag17 60.45(6) . . ? Ag2D Ag2C Ag2B 88.1(3) . . ? S20 Ag2C Ag2B 89.8(2) . . ? S22 Ag2C Ag2B 86.72(17) . . ? Ag2D Ag2C Ag2B 85.1(2) 2_655 . ? Ag2F Ag2C Ag2B 87.36(18) . . ? Ag16 Ag2C Ag2B 59.3(2) . . ? Ag19 Ag2C Ag2B 177.4(2) . . ? Ag17 Ag2C Ag2B 117.81(17) . . ? Ag2D Ag2C Ag2A 69.2(2) . . ? S20 Ag2C Ag2A 94.50(15) . . ? S22 Ag2C Ag2A 84.11(10) . . ? Ag2D Ag2C Ag2A 67.21(11) 2_655 . ? Ag2F Ag2C Ag2A 74.38(10) . . ? Ag16 Ag2C Ag2A 76.52(9) . . ? Ag19 Ag2C Ag2A 163.44(12) . . ? Ag17 Ag2C Ag2A 128.15(9) . . ? Ag2B Ag2C Ag2A 19.12(16) . . ? Ag2D Ag2C Ag18 126.0(2) . . ? S20 Ag2C Ag18 119.95(15) . . ? S22 Ag2C Ag18 53.32(11) . . ? Ag2D Ag2C Ag18 102.59(11) 2_655 . ? Ag2F Ag2C Ag18 143.57(11) . . ? Ag16 Ag2C Ag18 65.54(7) . . ? Ag19 Ag2C Ag18 121.67(9) . . ? Ag17 Ag2C Ag18 61.30(6) . . ? Ag2B Ag2C Ag18 56.51(16) . . ? Ag2A Ag2C Ag18 69.48(7) . . ? Ag2D Ag2C Ag15 133.0(2) . . ? S20 Ag2C Ag15 52.64(13) . . ? S22 Ag2C Ag15 124.92(14) . . ? Ag2D Ag2C Ag15 151.80(12) 2_655 . ? Ag2F Ag2C Ag15 102.21(9) . . ? Ag16 Ag2C Ag15 61.92(7) . . ? Ag19 Ag2C Ag15 56.74(7) . . ? Ag17 Ag2C Ag15 70.73(6) . . ? Ag2B Ag2C Ag15 121.2(2) . . ? Ag2A Ag2C Ag15 136.87(11) . . ? Ag18 Ag2C Ag15 100.94(8) . . ? Ag2C Ag2D Ag2D 130.11(19) . 2_655 ? Ag2C Ag2D Ag2F 116.8(3) . . ? Ag2D Ag2D Ag2F 112.56(15) 2_655 . ? Ag2C Ag2D S31 132.3(3) . . ? Ag2D Ag2D S31 74.7(3) 2_655 . ? Ag2F Ag2D S31 66.3(2) . . ? Ag2C Ag2D S22 59.43(18) . . ? Ag2D Ag2D S22 70.75(10) 2_655 . ? Ag2F Ag2D S22 174.2(2) . . ? S31 Ag2D S22 119.6(2) . . ? Ag2C Ag2D S31 131.8(3) . 2_655 ? Ag2D Ag2D S31 67.3(2) 2_655 2_655 ? Ag2F Ag2D S31 63.1(2) . 2_655 ? S31 Ag2D S31 93.6(3) . 2_655 ? S22 Ag2D S31 115.4(2) . 2_655 ? Ag2C Ag2D S20 54.2(2) . . ? Ag2D Ag2D S20 172.8(3) 2_655 . ? Ag2F Ag2D S20 62.67(17) . . ? S31 Ag2D S20 106.8(2) . . ? S22 Ag2D S20 113.53(19) . . ? S31 Ag2D S20 105.5(2) 2_655 . ? Ag2C Ag2D Ag2C 108.5(2) . 2_655 ? Ag2D Ag2D Ag2C 21.77(9) 2_655 2_655 ? Ag2F Ag2D Ag2C 134.3(2) . 2_655 ? S31 Ag2D Ag2C 88.1(2) . 2_655 ? S22 Ag2D Ag2C 49.03(9) . 2_655 ? S31 Ag2D Ag2C 82.83(19) 2_655 2_655 ? S20 Ag2D Ag2C 162.1(2) . 2_655 ? Ag2C Ag2D Ag2E 100.6(2) . . ? Ag2D Ag2D Ag2E 128.83(11) 2_655 . ? Ag2F Ag2D Ag2E 16.28(12) . . ? S31 Ag2D Ag2E 75.20(19) . . ? S22 Ag2D Ag2E 159.84(19) . . ? S31 Ag2D Ag2E 74.46(19) 2_655 . ? S20 Ag2D Ag2E 46.46(14) . . ? Ag2C Ag2D Ag2E 150.58(18) 2_655 . ? Ag2C Ag2D Ag2A 86.0(2) . . ? Ag2D Ag2D Ag2A 85.2(3) 2_655 . ? Ag2F Ag2D Ag2A 92.60(17) . . ? S31 Ag2D Ag2A 141.1(2) . . ? S22 Ag2D Ag2A 82.78(12) . . ? S31 Ag2D Ag2A 47.53(16) 2_655 . ? S20 Ag2D Ag2A 89.60(16) . . ? Ag2C Ag2D Ag2A 84.56(12) 2_655 . ? Ag2E Ag2D Ag2A 93.37(14) . . ? Ag2C Ag2D Ag2F 166.7(3) . 2_655 ? Ag2D Ag2D Ag2F 36.66(9) 2_655 2_655 ? Ag2F Ag2D Ag2F 76.43(19) . 2_655 ? S31 Ag2D Ag2F 51.84(17) . 2_655 ? S22 Ag2D Ag2F 107.27(14) . 2_655 ? S31 Ag2D Ag2F 51.60(17) 2_655 2_655 ? S20 Ag2D Ag2F 139.09(18) . 2_655 ? Ag2C Ag2D Ag2F 58.26(10) 2_655 2_655 ? Ag2E Ag2D Ag2F 92.64(14) . 2_655 ? Ag2A Ag2D Ag2F 92.75(13) . 2_655 ? Ag2C Ag2D Ag19 62.23(18) . . ? Ag2D Ag2D Ag19 112.5(3) 2_655 . ? Ag2F Ag2D Ag19 103.57(16) . . ? S31 Ag2D Ag19 70.73(17) . . ? S22 Ag2D Ag19 78.92(10) . . ? S31 Ag2D Ag19 163.2(2) 2_655 . ? S20 Ag2D Ag19 74.39(14) . . ? Ag2C Ag2D Ag19 102.26(13) 2_655 . ? Ag2E Ag2D Ag19 94.92(13) . . ? Ag2A Ag2D Ag19 148.14(16) . . ? Ag2F Ag2D Ag19 117.48(15) 2_655 . ? S19 Ag22 S31 127.2(2) . . ? S19 Ag22 S16 131.33(19) . . ? S31 Ag22 S16 101.4(2) . . ? S19 Ag22 Ag19 50.20(13) . . ? S31 Ag22 Ag19 78.06(19) . . ? S16 Ag22 Ag19 166.30(14) . . ? S19 Ag22 Ag2E 101.89(15) . . ? S31 Ag22 Ag2E 72.08(15) . . ? S16 Ag22 Ag2E 94.95(13) . . ? Ag19 Ag22 Ag2E 97.84(9) . . ? S19 Ag22 Ag2F 109.60(14) . . ? S31 Ag22 Ag2F 51.50(15) . . ? S16 Ag22 Ag2F 102.37(13) . . ? Ag19 Ag22 Ag2F 88.07(8) . . ? Ag2E Ag22 Ag2F 21.09(8) . . ? S19 Ag22 Ag25 166.40(13) . . ? S31 Ag22 Ag25 59.02(18) . . ? S16 Ag22 Ag25 43.79(13) . . ? Ag19 Ag22 Ag25 130.57(10) . . ? Ag2E Ag22 Ag25 91.53(8) . . ? Ag2F Ag22 Ag25 83.76(8) . . ? S19 Ag22 Ag11 106.08(15) . . ? S31 Ag22 Ag11 112.14(17) . . ? S16 Ag22 Ag11 48.77(13) . . ? Ag19 Ag22 Ag11 144.26(9) . . ? Ag2E Ag22 Ag11 57.14(8) . . ? Ag2F Ag22 Ag11 74.90(8) . . ? Ag25 Ag22 Ag11 79.31(6) . . ? S19 Ag22 Ag13 54.76(13) . . ? S31 Ag22 Ag13 121.04(15) . . ? S16 Ag22 Ag13 105.42(14) . . ? Ag19 Ag22 Ag13 86.15(7) . . ? Ag2E Ag22 Ag13 54.28(8) . . ? Ag2F Ag22 Ag13 71.79(8) . . ? Ag25 Ag22 Ag13 135.45(7) . . ? Ag11 Ag22 Ag13 58.89(6) . . ? Ag2F Ag2E S17 103.2(3) . . ? Ag2F Ag2E S20 90.8(3) . . ? S17 Ag2E S20 165.6(3) . . ? Ag2F Ag2E Ag2D 28.9(2) . . ? S17 Ag2E Ag2D 132.1(2) . . ? S20 Ag2E Ag2D 62.02(17) . . ? Ag2F Ag2E Ag24 83.8(3) . . ? S17 Ag2E Ag24 84.02(16) . . ? S20 Ag2E Ag24 94.36(16) . . ? Ag2D Ag2E Ag24 89.18(13) . . ? Ag2F Ag2E Ag13 132.7(3) . . ? S17 Ag2E Ag13 116.78(18) . . ? S20 Ag2E Ag13 52.61(14) . . ? Ag2D Ag2E Ag13 106.63(13) . . ? Ag24 Ag2E Ag13 122.84(14) . . ? Ag2F Ag2E Ag11 131.5(3) . . ? S17 Ag2E Ag11 53.08(14) . . ? S20 Ag2E Ag11 119.07(18) . . ? Ag2D Ag2E Ag11 142.52(16) . . ? Ag24 Ag2E Ag11 126.26(13) . . ? Ag13 Ag2E Ag11 66.82(9) . . ? Ag2F Ag2E Ag22 80.5(3) . . ? S17 Ag2E Ag22 98.95(17) . . ? S20 Ag2E Ag22 86.49(16) . . ? Ag2D Ag2E Ag22 77.37(13) . . ? Ag24 Ag2E Ag22 164.31(15) . . ? Ag13 Ag2E Ag22 69.64(9) . . ? Ag11 Ag2E Ag22 65.65(9) . . ? Ag2F Ag2E Ag14 121.7(3) . . ? S17 Ag2E Ag14 114.95(19) . . ? S20 Ag2E Ag14 53.09(16) . . ? Ag2D Ag2E Ag14 101.62(13) . . ? Ag24 Ag2E Ag14 59.73(10) . . ? Ag13 Ag2E Ag14 63.31(9) . . ? Ag11 Ag2E Ag14 106.76(12) . . ? Ag22 Ag2E Ag14 130.50(13) . . ? Ag2F Ag2E Ag26 55.4(2) . . ? S17 Ag2E Ag26 48.08(15) . . ? S20 Ag2E Ag26 146.1(2) . . ? Ag2D Ag2E Ag26 84.11(13) . . ? Ag24 Ag2E Ag26 84.31(11) . . ? Ag13 Ag2E Ag26 150.07(13) . . ? Ag11 Ag2E Ag26 87.49(10) . . ? Ag22 Ag2E Ag26 86.29(10) . . ? Ag14 Ag2E Ag26 143.21(13) . . ? Ag2F Ag2E S31 37.0(2) . . ? S17 Ag2E S31 96.7(2) . . ? S20 Ag2E S31 96.6(2) . . ? Ag2D Ag2E S31 47.46(15) . . ? Ag24 Ag2E S31 119.57(16) . . ? Ag13 Ag2E S31 110.44(16) . . ? Ag11 Ag2E S31 98.37(14) . . ? Ag22 Ag2E S31 44.91(11) . . ? Ag14 Ag2E S31 147.38(17) . . ? Ag26 Ag2E S31 56.43(14) . . ? Ag2F Ag2E Ag2C 51.4(2) . . ? S17 Ag2E Ag2C 154.6(2) . . ? S20 Ag2E Ag2C 39.42(15) . . ? Ag2D Ag2E Ag2C 22.60(9) . . ? Ag24 Ag2E Ag2C 91.43(10) . . ? Ag13 Ag2E Ag2C 86.59(9) . . ? Ag11 Ag2E Ag2C 141.32(13) . . ? Ag22 Ag2E Ag2C 79.28(10) . . ? Ag14 Ag2E Ag2C 83.38(9) . . ? Ag26 Ag2E Ag2C 106.71(12) . . ? S31 Ag2E Ag2C 64.05(15) . . ? Ag2E Ag2F Ag2D 134.8(3) . . ? Ag2E Ag2F S31 132.0(3) . 2_655 ? Ag2D Ag2F S31 71.8(2) . 2_655 ? Ag2E Ag2F S20 62.0(3) . . ? Ag2D Ag2F S20 72.94(19) . . ? S31 Ag2F S20 117.0(2) 2_655 . ? Ag2E Ag2F S31 127.1(3) . . ? Ag2D Ag2F S31 67.7(2) . . ? S31 Ag2F S31 98.41(19) 2_655 . ? S20 Ag2F S31 113.8(2) . . ? Ag2E Ag2F S17 52.0(2) . . ? Ag2D Ag2F S17 173.0(2) . . ? S31 Ag2F S17 104.7(2) 2_655 . ? S20 Ag2F S17 114.0(2) . . ? S31 Ag2F S17 107.5(2) . . ? Ag2E Ag2F Ag26 104.3(2) . . ? Ag2D Ag2F Ag26 120.53(19) . . ? S31 Ag2F Ag26 72.65(18) 2_655 . ? S20 Ag2F Ag26 166.27(18) . . ? S31 Ag2F Ag26 72.32(19) . . ? S17 Ag2F Ag26 52.54(12) . . ? Ag2E Ag2F Ag2C 110.2(3) . . ? Ag2D Ag2F Ag2C 24.77(13) . . ? S31 Ag2F Ag2C 87.03(19) 2_655 . ? S20 Ag2F Ag2C 48.18(14) . . ? S31 Ag2F Ag2C 83.6(2) . . ? S17 Ag2F Ag2C 162.13(17) . . ? Ag26 Ag2F Ag2C 145.28(14) . . ? Ag2E Ag2F Ag2D 165.6(3) . 2_655 ? Ag2D Ag2F Ag2D 30.79(15) . 2_655 ? S31 Ag2F Ag2D 53.28(18) 2_655 2_655 ? S20 Ag2F Ag2D 103.57(17) . 2_655 ? S31 Ag2F Ag2D 55.87(17) . 2_655 ? S17 Ag2F Ag2D 142.42(17) . 2_655 ? Ag26 Ag2F Ag2D 90.05(12) . 2_655 ? Ag2C Ag2F Ag2D 55.43(9) . 2_655 ? Ag2E Ag2F Ag24 74.8(3) . . ? Ag2D Ag2F Ag24 107.39(17) . . ? S31 Ag2F Ag24 57.61(17) 2_655 . ? S20 Ag2F Ag24 86.62(15) . . ? S31 Ag2F Ag24 154.7(2) . . ? S17 Ag2F Ag24 74.78(13) . . ? Ag26 Ag2F Ag24 91.24(10) . . ? Ag2C Ag2F Ag24 101.41(11) . . ? Ag2D Ag2F Ag24 106.57(13) 2_655 . ? Ag2E Ag2F Ag22 78.4(3) . . ? Ag2D Ag2F Ag22 91.90(16) . . ? S31 Ag2F Ag22 148.75(19) 2_655 . ? S20 Ag2F Ag22 81.36(13) . . ? S31 Ag2F Ag22 50.35(15) . . ? S17 Ag2F Ag22 88.32(13) . . ? Ag26 Ag2F Ag22 94.79(10) . . ? Ag2C Ag2F Ag22 88.27(10) . . ? Ag2D Ag2F Ag22 99.53(13) 2_655 . ? Ag24 Ag2F Ag22 153.19(13) . . ? Ag2E Ag2F Ag2F 157.7(2) . 2_655 ? Ag2D Ag2F Ag2F 67.04(15) . 2_655 ? S31 Ag2F Ag2F 50.11(17) 2_655 2_655 ? S20 Ag2F Ag2F 139.98(14) . 2_655 ? S31 Ag2F Ag2F 49.52(16) . 2_655 ? S17 Ag2F Ag2F 106.06(12) . 2_655 ? Ag26 Ag2F Ag2F 53.55(7) . 2_655 ? Ag2C Ag2F Ag2F 91.80(8) . 2_655 ? Ag2D Ag2F Ag2F 36.53(9) 2_655 2_655 ? Ag24 Ag2F Ag2F 105.31(15) . 2_655 ? Ag22 Ag2F Ag2F 99.24(15) . 2_655 ? S18 Ag24 S21 143.4(2) . . ? S18 Ag24 S31 113.0(2) . 2_655 ? S21 Ag24 S31 100.2(2) . 2_655 ? S18 Ag24 Ag25 50.86(14) . 2_655 ? S21 Ag24 Ag25 151.82(17) . 2_655 ? S31 Ag24 Ag25 62.64(16) 2_655 2_655 ? S18 Ag24 Ag2E 106.83(15) . . ? S21 Ag24 Ag2E 98.24(13) . . ? S31 Ag24 Ag2E 70.85(14) 2_655 . ? Ag25 Ag24 Ag2E 96.58(10) 2_655 . ? S18 Ag24 Ag2A 148.28(18) . . ? S21 Ag24 Ag2A 55.60(15) . . ? S31 Ag24 Ag2A 45.77(16) 2_655 . ? Ag25 Ag24 Ag2A 101.03(12) 2_655 . ? Ag2E Ag24 Ag2A 88.89(10) . . ? S18 Ag24 Ag14 117.65(17) . . ? S21 Ag24 Ag14 53.06(13) . . ? S31 Ag24 Ag14 117.88(14) 2_655 . ? Ag25 Ag24 Ag14 153.74(9) 2_655 . ? Ag2E Ag24 Ag14 62.06(9) . . ? Ag2A Ag24 Ag14 94.02(8) . . ? S18 Ag24 Ag2F 114.55(15) . . ? S21 Ag24 Ag2F 98.51(14) . . ? S31 Ag24 Ag2F 49.59(13) 2_655 . ? Ag25 Ag24 Ag2F 86.90(10) 2_655 . ? Ag2E Ag24 Ag2F 21.39(8) . . ? Ag2A Ag24 Ag2F 72.05(9) . . ? Ag14 Ag24 Ag2F 77.36(8) . . ? S18 Ag24 Ag2B 160.1(2) . . ? S21 Ag24 Ag2B 38.3(2) . . ? S31 Ag24 Ag2B 62.2(2) 2_655 . ? Ag25 Ag24 Ag2B 118.1(2) 2_655 . ? Ag2E Ag24 Ag2B 90.15(14) . . ? Ag2A Ag24 Ag2B 17.43(16) . . ? Ag14 Ag24 Ag2B 79.28(17) . . ? Ag2F Ag24 Ag2B 77.97(14) . . ? S18 Ag24 Ag12 54.84(13) . . ? S21 Ag24 Ag12 119.55(16) . . ? S31 Ag24 Ag12 121.56(15) 2_655 . ? Ag25 Ag24 Ag12 88.55(7) 2_655 . ? Ag2E Ag24 Ag12 63.00(8) . . ? Ag2A Ag24 Ag12 151.31(8) . . ? Ag14 Ag24 Ag12 68.63(7) . . ? Ag2F Ag24 Ag12 81.66(8) . . ? Ag2B Ag24 Ag12 145.00(15) . . ? S16 Ag25 S18 152.79(19) . 2_655 ? S16 Ag25 Ag24 137.83(17) . 2_655 ? S18 Ag25 Ag24 50.97(15) 2_655 2_655 ? S16 Ag25 S31 91.69(19) . . ? S18 Ag25 S31 105.9(2) 2_655 . ? Ag24 Ag25 S31 55.46(14) 2_655 . ? S16 Ag25 Ag9 66.12(14) . . ? S18 Ag25 Ag9 125.47(16) 2_655 . ? Ag24 Ag25 Ag9 142.04(8) 2_655 . ? S31 Ag25 Ag9 106.25(14) . . ? S16 Ag25 Ag26 99.43(13) . . ? S18 Ag25 Ag26 107.17(13) 2_655 . ? Ag24 Ag25 Ag26 87.46(8) 2_655 . ? S31 Ag25 Ag26 61.14(12) . . ? Ag9 Ag25 Ag26 55.95(6) . . ? S16 Ag25 Ag10 131.21(16) . 2_655 ? S18 Ag25 Ag10 57.07(14) 2_655 2_655 ? Ag24 Ag25 Ag10 90.27(8) 2_655 2_655 ? S31 Ag25 Ag10 118.78(13) . 2_655 ? Ag9 Ag25 Ag10 69.02(7) . 2_655 ? Ag26 Ag25 Ag10 69.36(6) . 2_655 ? S16 Ag25 Ag22 47.56(14) . . ? S18 Ag25 Ag22 140.04(17) 2_655 . ? Ag24 Ag25 Ag22 92.73(10) 2_655 . ? S31 Ag25 Ag22 45.37(13) . . ? Ag9 Ag25 Ag22 92.91(7) . . ? Ag26 Ag25 Ag22 83.89(7) . . ? Ag10 Ag25 Ag22 152.92(8) 2_655 . ? S17 Ag26 S17 162.1(3) . 2_655 ? S17 Ag26 Ag2F 62.53(14) . . ? S17 Ag26 Ag2F 135.38(17) 2_655 . ? S17 Ag26 Ag2F 135.38(17) . 2_655 ? S17 Ag26 Ag2F 62.53(14) 2_655 2_655 ? Ag2F Ag26 Ag2F 72.91(15) . 2_655 ? S17 Ag26 Ag9 53.15(12) . . ? S17 Ag26 Ag9 111.91(15) 2_655 . ? Ag2F Ag26 Ag9 106.45(7) . . ? Ag2F Ag26 Ag9 152.51(8) 2_655 . ? S17 Ag26 Ag9 111.91(15) . 2_655 ? S17 Ag26 Ag9 53.15(12) 2_655 2_655 ? Ag2F Ag26 Ag9 152.51(8) . 2_655 ? Ag2F Ag26 Ag9 106.45(7) 2_655 2_655 ? Ag9 Ag26 Ag9 86.65(10) . 2_655 ? S17 Ag26 S31 98.56(17) . . ? S17 Ag26 S31 95.58(17) 2_655 . ? Ag2F Ag26 S31 50.78(15) . . ? Ag2F Ag26 S31 50.29(13) 2_655 . ? Ag9 Ag26 S31 107.16(11) . . ? Ag9 Ag26 S31 148.71(13) 2_655 . ? S17 Ag26 Ag25 94.98(11) . . ? S17 Ag26 Ag25 83.36(11) 2_655 . ? Ag2F Ag26 Ag25 96.63(9) . . ? Ag2F Ag26 Ag25 91.91(9) 2_655 . ? Ag9 Ag26 Ag25 60.65(6) . . ? Ag9 Ag26 Ag25 110.83(8) 2_655 . ? S31 Ag26 Ag25 57.58(12) . . ? S17 Ag26 Ag25 83.36(11) . 2_655 ? S17 Ag26 Ag25 94.98(11) 2_655 2_655 ? Ag2F Ag26 Ag25 91.91(9) . 2_655 ? Ag2F Ag26 Ag25 96.63(9) 2_655 2_655 ? Ag9 Ag26 Ag25 110.83(8) . 2_655 ? Ag9 Ag26 Ag25 60.65(6) 2_655 2_655 ? S31 Ag26 Ag25 133.02(14) . 2_655 ? Ag25 Ag26 Ag25 169.39(13) . 2_655 ? S17 Ag26 Ag2E 42.31(14) . . ? S17 Ag26 Ag2E 155.54(17) 2_655 . ? Ag2F Ag26 Ag2E 20.32(8) . . ? Ag2F Ag26 Ag2E 93.20(13) 2_655 . ? Ag9 Ag26 Ag2E 88.05(7) . . ? Ag9 Ag26 Ag2E 146.27(8) 2_655 . ? S31 Ag26 Ag2E 63.95(15) . . ? Ag25 Ag26 Ag2E 95.24(8) . . ? Ag25 Ag26 Ag2E 90.57(8) 2_655 . ? S17 Ag26 Ag2E 155.54(17) . 2_655 ? S17 Ag26 Ag2E 42.31(14) 2_655 2_655 ? Ag2F Ag26 Ag2E 93.20(13) . 2_655 ? Ag2F Ag26 Ag2E 20.32(8) 2_655 2_655 ? Ag9 Ag26 Ag2E 146.27(8) . 2_655 ? Ag9 Ag26 Ag2E 88.05(7) 2_655 2_655 ? S31 Ag26 Ag2E 64.70(14) . 2_655 ? Ag25 Ag26 Ag2E 90.57(8) . 2_655 ? Ag25 Ag26 Ag2E 95.24(8) 2_655 2_655 ? Ag2E Ag26 Ag2E 113.50(15) . 2_655 ? S17 Ag26 Ag10 47.21(12) . . ? S17 Ag26 Ag10 117.77(14) 2_655 . ? Ag2F Ag26 Ag10 102.47(8) . . ? Ag2F Ag26 Ag10 152.47(8) 2_655 . ? Ag9 Ag26 Ag10 55.00(6) . . ? Ag9 Ag26 Ag10 64.93(6) 2_655 . ? S31 Ag26 Ag10 145.75(13) . . ? Ag25 Ag26 Ag10 115.62(8) . . ? Ag25 Ag26 Ag10 56.00(6) 2_655 . ? Ag2E Ag26 Ag10 84.94(7) . . ? Ag2E Ag26 Ag10 147.13(7) 2_655 . ? C11 S1 Ag1 103.3(7) . . ? C11 S1 Ag2 108.6(6) . . ? Ag1 S1 Ag2 89.21(17) . . ? C21 S2 Ag3 103.4(7) . . ? C21 S2 Ag2 107.8(6) . . ? Ag3 S2 Ag2 88.71(17) . . ? C31 S3 Ag4 106.3(7) . . ? C31 S3 Ag5 111.5(8) . . ? Ag4 S3 Ag5 76.1(2) . . ? C41 S4 Ag6 111.4(7) . . ? C41 S4 Ag5 99.4(6) . . ? Ag6 S4 Ag5 93.52(17) . . ? C51 S5 Ag7 104.4(7) . . ? C51 S5 Ag8 107.2(8) . . ? Ag7 S5 Ag8 88.4(2) . . ? C61 S6 Ag9 110.0(8) . . ? C61 S6 Ag10 108.3(6) . 2_655 ? Ag9 S6 Ag10 96.41(18) . 2_655 ? C61 S6 Ag8 114.1(6) . . ? Ag9 S6 Ag8 112.39(19) . . ? Ag10 S6 Ag8 114.18(18) 2_655 . ? C61 S6 S6 160.2(6) . 2_655 ? Ag9 S6 S6 76.80(15) . 2_655 ? Ag10 S6 S6 88.78(17) 2_655 2_655 ? Ag8 S6 S6 47.60(10) . 2_655 ? C71 S7 Ag6 108.3(7) . . ? C71 S7 Ag7 114.4(8) . . ? Ag6 S7 Ag7 98.08(19) . . ? C71 S7 Ag11 119.5(8) . . ? Ag6 S7 Ag11 80.33(16) . . ? Ag7 S7 Ag11 123.6(2) . . ? C71 S7 Ag9 131.0(6) . . ? Ag6 S7 Ag9 119.46(18) . . ? Ag7 S7 Ag9 70.59(14) . . ? Ag11 S7 Ag9 62.54(11) . . ? C71 S7 S8 142.3(6) . . ? Ag6 S7 S8 52.30(14) . . ? Ag7 S7 S8 50.89(14) . . ? Ag11 S7 S8 91.21(16) . . ? Ag9 S7 S8 81.01(16) . . ? C81 S8 Ag12 107.6(8) . . ? C81 S8 Ag10 102.3(6) . . ? Ag12 S8 Ag10 71.16(18) . . ? C81 S8 Ag7 128.7(8) . . ? Ag12 S8 Ag7 120.3(2) . . ? Ag10 S8 Ag7 78.36(19) . . ? C81 S8 Ag6 130.2(6) . . ? Ag12 S8 Ag6 71.08(15) . . ? Ag10 S8 Ag6 122.1(2) . . ? Ag7 S8 Ag6 84.67(15) . . ? C81 S8 S7 164.0(7) . . ? Ag12 S8 S7 85.29(17) . . ? Ag10 S8 S7 90.81(19) . . ? Ag7 S8 S7 44.62(13) . . ? Ag6 S8 S7 44.05(13) . . ? C91 S9 Ag13 104.8(6) . . ? C91 S9 Ag11 108.7(7) . . ? Ag13 S9 Ag11 91.88(17) . . ? C91 S9 Ag5 116.1(6) . . ? Ag13 S9 Ag5 100.53(17) . . ? Ag11 S9 Ag5 127.97(19) . . ? C91 S9 S10 159.3(7) . . ? Ag13 S9 S10 77.18(13) . . ? Ag11 S9 S10 91.71(15) . . ? Ag5 S9 S10 44.27(10) . . ? C101 S10 Ag14 110.5(5) . . ? C101 S10 Ag12 104.5(5) . . ? Ag14 S10 Ag12 110.2(2) . . ? C101 S10 Ag5 110.3(5) . . ? Ag14 S10 Ag5 116.38(19) . . ? Ag12 S10 Ag5 104.21(17) . . ? C101 S10 S9 152.9(5) . . ? Ag14 S10 S9 93.47(15) . . ? Ag12 S10 S9 77.62(14) . . ? Ag5 S10 S9 44.81(11) . . ? C111 S11 Ag3 116.4(6) . . ? C111 S11 Ag15 105.2(6) . . ? Ag3 S11 Ag15 74.43(15) . . ? C111 S11 Ag13 116.4(6) . . ? Ag3 S11 Ag13 122.25(19) . . ? Ag15 S11 Ag13 70.89(14) . . ? C111 S11 Ag4 125.2(6) . . ? Ag3 S11 Ag4 87.77(17) . . ? Ag15 S11 Ag4 129.11(19) . . ? Ag13 S11 Ag4 80.31(15) . . ? C111 S11 S12 154.0(6) . . ? Ag3 S11 S12 48.11(13) . . ? Ag15 S11 S12 91.07(16) . . ? Ag13 S11 S12 87.87(16) . . ? Ag4 S11 S12 45.89(12) . . ? C121 S12 Ag4 111.7(5) . . ? C121 S12 Ag3 124.0(5) . . ? Ag4 S12 Ag3 93.33(18) . . ? C121 S12 Ag14 109.6(5) . . ? Ag4 S12 Ag14 84.29(18) . . ? Ag3 S12 Ag14 122.5(2) . . ? C121 S12 Ag16 118.3(5) . . ? Ag4 S12 Ag16 126.9(2) . . ? Ag3 S12 Ag16 73.21(14) . . ? Ag14 S12 Ag16 63.73(13) . . ? C121 S12 S11 153.4(5) . . ? Ag4 S12 S11 51.46(14) . . ? Ag3 S12 S11 48.79(13) . . ? Ag14 S12 S11 90.50(17) . . ? Ag16 S12 S11 85.79(16) . . ? C131 S13 Ag17 108.8(6) . . ? C131 S13 Ag15 107.9(5) . . ? Ag17 S13 Ag15 99.69(17) . . ? C131 S13 Ag2 108.5(5) . . ? Ag17 S13 Ag2 113.33(17) . . ? Ag15 S13 Ag2 118.16(19) . . ? C131 S13 S14 156.6(5) . . ? Ag17 S13 S14 83.06(14) . . ? Ag15 S13 S14 89.27(15) . . ? Ag2 S13 S14 48.25(10) . . ? C141 S14 Ag16 109.5(6) . . ? C141 S14 Ag18 107.6(5) . . ? Ag16 S14 Ag18 89.26(16) . . ? C141 S14 Ag2 113.7(6) . . ? Ag16 S14 Ag2 116.64(17) . . ? Ag18 S14 Ag2 117.42(19) . . ? C141 S14 S13 161.0(6) . . ? Ag16 S14 S13 81.38(15) . . ? Ag18 S14 S13 87.51(16) . . ? Ag2 S14 S13 47.62(10) . . ? C151 S15 Ag1 119.9(6) . . ? C151 S15 Ag1 117.5(6) . 2_655 ? Ag1 S15 Ag1 90.89(16) . 2_655 ? C151 S15 Ag18 110.4(6) . 2_655 ? Ag1 S15 Ag18 127.68(19) . 2_655 ? Ag1 S15 Ag18 77.72(13) 2_655 2_655 ? C151 S15 Ag17 117.4(6) . . ? Ag1 S15 Ag17 73.75(14) . . ? Ag1 S15 Ag17 123.22(18) 2_655 . ? Ag18 S15 Ag17 71.11(13) 2_655 . ? C151 S15 S15 152.3(5) . 2_655 ? Ag1 S15 S15 49.45(13) . 2_655 ? Ag1 S15 S15 47.55(11) 2_655 2_655 ? Ag18 S15 S15 90.38(13) 2_655 2_655 ? Ag17 S15 S15 86.01(15) . 2_655 ? C161 S16 Ag25 111.2(8) . . ? C161 S16 Ag22 114.2(6) . . ? Ag25 S16 Ag22 88.65(19) . . ? C161 S16 Ag11 122.7(8) . . ? Ag25 S16 Ag11 123.5(2) . . ? Ag22 S16 Ag11 84.28(17) . . ? C161 S16 Ag9 129.8(6) . . ? Ag25 S16 Ag9 68.12(14) . . ? Ag22 S16 Ag9 115.88(17) . . ? Ag11 S16 Ag9 65.42(12) . . ? C161 S16 S17 161.1(7) . . ? Ag25 S16 S17 81.19(15) . . ? Ag22 S16 S17 79.21(14) . . ? Ag11 S16 S17 42.45(11) . . ? Ag9 S16 S17 40.03(10) . . ? Ag2E S17 Ag26 89.6(2) . . ? Ag2E S17 Ag9 136.8(2) . . ? Ag26 S17 Ag9 73.92(16) . . ? Ag2E S17 Ag11 83.57(19) . . ? Ag26 S17 Ag11 126.6(2) . . ? Ag9 S17 Ag11 75.76(14) . . ? Ag2E S17 Ag12 97.2(2) . . ? Ag26 S17 Ag12 151.58(19) . . ? Ag9 S17 Ag12 116.39(19) . . ? Ag11 S17 Ag12 81.68(15) . . ? Ag2E S17 Ag10 147.0(2) . . ? Ag26 S17 Ag10 90.69(17) . . ? Ag9 S17 Ag10 74.42(15) . . ? Ag11 S17 Ag10 121.55(19) . . ? Ag12 S17 Ag10 68.81(13) . . ? Ag2E S17 Ag2F 24.80(12) . . ? Ag26 S17 Ag2F 64.94(15) . . ? Ag9 S17 Ag2F 124.7(2) . . ? Ag11 S17 Ag2F 100.36(18) . . ? Ag12 S17 Ag2F 117.5(2) . . ? Ag10 S17 Ag2F 137.86(19) . . ? Ag2E S17 S18 97.02(19) . . ? Ag26 S17 S18 94.58(15) . . ? Ag9 S17 S18 123.42(19) . . ? Ag11 S17 S18 138.8(2) . . ? Ag12 S17 S18 57.27(13) . . ? Ag10 S17 S18 50.02(12) . . ? Ag2F S17 S18 95.96(16) . . ? Ag2E S17 S16 85.91(18) . . ? Ag26 S17 S16 83.34(15) . . ? Ag9 S17 S16 53.19(12) . . ? Ag11 S17 S16 43.45(12) . . ? Ag12 S17 S16 124.54(17) . . ? Ag10 S17 S16 126.92(18) . . ? Ag2F S17 S16 85.83(16) . . ? S18 S17 S16 176.4(2) . . ? C181 S18 Ag25 103.2(5) . 2_655 ? C181 S18 Ag24 110.2(6) . . ? Ag25 S18 Ag24 78.17(19) 2_655 . ? C181 S18 Ag10 131.0(6) . . ? Ag25 S18 Ag10 76.50(17) 2_655 . ? Ag24 S18 Ag10 117.3(2) . . ? C181 S18 Ag12 136.0(5) . . ? Ag25 S18 Ag12 120.41(19) 2_655 . ? Ag24 S18 Ag12 85.93(16) . . ? Ag10 S18 Ag12 61.05(11) . . ? C181 S18 S17 177.6(6) . . ? Ag25 S18 S17 74.86(16) 2_655 . ? Ag24 S18 S17 70.96(15) . . ? Ag10 S18 S17 47.34(12) . . ? Ag12 S18 S17 45.79(10) . . ? C191 S19 Ag19 106.9(6) . . ? C191 S19 Ag22 112.2(7) . . ? Ag19 S19 Ag22 78.82(18) . . ? C191 S19 Ag15 128.2(7) . . ? Ag19 S19 Ag15 71.64(14) . . ? Ag22 S19 Ag15 117.76(18) . . ? C191 S19 Ag13 136.2(6) . . ? Ag19 S19 Ag13 116.45(17) . . ? Ag22 S19 Ag13 83.06(15) . . ? Ag15 S19 Ag13 64.72(12) . . ? C191 S19 S20 173.9(7) . . ? Ag19 S19 S20 73.68(15) . . ? Ag22 S19 S20 73.82(14) . . ? Ag15 S19 S20 45.95(11) . . ? Ag13 S19 S20 42.78(11) . . ? Ag2C S20 Ag2E 100.9(2) . . ? Ag2C S20 Ag16 77.98(17) . . ? Ag2E S20 Ag16 140.6(2) . . ? Ag2C S20 Ag13 144.7(2) . . ? Ag2E S20 Ag13 81.46(18) . . ? Ag16 S20 Ag13 122.00(19) . . ? Ag2C S20 Ag2F 73.76(16) . . ? Ag2E S20 Ag2F 27.17(11) . . ? Ag16 S20 Ag2F 130.04(19) . . ? Ag13 S20 Ag2F 104.38(19) . . ? Ag2C S20 Ag14 133.9(2) . . ? Ag2E S20 Ag14 82.7(2) . . ? Ag16 S20 Ag14 71.75(14) . . ? Ag13 S20 Ag14 81.41(17) . . ? Ag2F S20 Ag14 100.3(2) . . ? Ag2C S20 Ag15 84.73(19) . . ? Ag2E S20 Ag15 140.7(2) . . ? Ag16 S20 Ag15 78.68(15) . . ? Ag13 S20 Ag15 72.90(12) . . ? Ag2F S20 Ag15 136.8(2) . . ? Ag14 S20 Ag15 121.08(19) . . ? Ag2C S20 Ag2D 29.37(11) . . ? Ag2E S20 Ag2D 71.52(18) . . ? Ag16 S20 Ag2D 100.54(19) . . ? Ag13 S20 Ag2D 135.8(2) . . ? Ag2F S20 Ag2D 44.40(13) . . ? Ag14 S20 Ag2D 127.09(19) . . ? Ag15 S20 Ag2D 107.4(2) . . ? Ag2C S20 S21 88.49(17) . . ? Ag2E S20 S21 89.09(19) . . ? Ag16 S20 S21 51.67(12) . . ? Ag13 S20 S21 126.8(2) . . ? Ag2F S20 S21 86.98(16) . . ? Ag14 S20 S21 45.40(12) . . ? Ag15 S20 S21 130.16(18) . . ? Ag2D S20 S21 87.89(16) . . ? Ag2C S20 S19 91.33(19) . . ? Ag2E S20 S19 92.45(18) . . ? Ag16 S20 S19 126.80(19) . . ? Ag13 S20 S19 53.42(12) . . ? Ag2F S20 S19 94.44(17) . . ? Ag14 S20 S19 134.72(19) . . ? Ag15 S20 S19 48.30(12) . . ? Ag2D S20 S19 92.71(18) . . ? S21 S20 S19 178.46(19) . . ? C211 S21 Ag2B 110.6(6) . . ? C211 S21 Ag24 109.1(6) . . ? Ag2B S21 Ag24 96.5(4) . . ? C211 S21 Ag14 122.9(6) . . ? Ag2B S21 Ag14 125.6(3) . . ? Ag24 S21 Ag14 76.33(16) . . ? C211 S21 Ag2A 114.7(6) . . ? Ag2B S21 Ag2A 22.5(2) . . ? Ag24 S21 Ag2A 74.20(18) . . ? Ag14 S21 Ag2A 121.1(2) . . ? C211 S21 Ag16 129.3(6) . . ? Ag2B S21 Ag16 73.4(3) . . ? Ag24 S21 Ag16 120.93(18) . . ? Ag14 S21 Ag16 65.95(12) . . ? Ag2A S21 Ag16 88.02(17) . . ? C211 S21 S20 165.6(6) . . ? Ag2B S21 S20 80.1(2) . . ? Ag24 S21 S20 78.27(15) . . ? Ag14 S21 S20 45.54(12) . . ? Ag2A S21 S20 78.96(15) . . ? Ag16 S21 S20 42.82(10) . . ? Ag2C S22 Ag2C 100.9(3) 2_655 . ? Ag2C S22 Ag17 79.32(7) 2_655 2_655 ? Ag2C S22 Ag17 145.61(10) . 2_655 ? Ag2C S22 Ag17 145.61(10) 2_655 . ? Ag2C S22 Ag17 79.32(7) . . ? Ag17 S22 Ag17 119.6(3) 2_655 . ? Ag2C S22 Ag2D 31.24(13) 2_655 2_655 ? Ag2C S22 Ag2D 69.7(2) . 2_655 ? Ag17 S22 Ag2D 104.62(13) 2_655 2_655 ? Ag17 S22 Ag2D 134.18(18) . 2_655 ? Ag2C S22 Ag2D 69.7(2) 2_655 . ? Ag2C S22 Ag2D 31.24(13) . . ? Ag17 S22 Ag2D 134.18(18) 2_655 . ? Ag17 S22 Ag2D 104.62(13) . . ? Ag2D S22 Ag2D 38.5(2) 2_655 . ? Ag2C S22 Ag18 137.01(9) 2_655 . ? Ag2C S22 Ag18 83.02(8) . . ? Ag17 S22 Ag18 74.75(12) 2_655 . ? Ag17 S22 Ag18 77.37(12) . . ? Ag2D S22 Ag18 128.81(17) 2_655 . ? Ag2D S22 Ag18 106.14(13) . . ? Ag2C S22 Ag18 83.02(8) 2_655 2_655 ? Ag2C S22 Ag18 137.01(9) . 2_655 ? Ag17 S22 Ag18 77.37(12) 2_655 2_655 ? Ag17 S22 Ag18 74.75(12) . 2_655 ? Ag2D S22 Ag18 106.14(13) 2_655 2_655 ? Ag2D S22 Ag18 128.81(17) . 2_655 ? Ag18 S22 Ag18 122.7(3) . 2_655 ? Ag2C S22 S23 88.96(12) 2_655 2_655 ? Ag2C S22 S23 93.36(12) . 2_655 ? Ag17 S22 S23 52.29(9) 2_655 2_655 ? Ag17 S22 S23 125.43(15) . 2_655 ? Ag2D S22 S23 90.13(15) 2_655 2_655 ? Ag2D S22 S23 93.32(15) . 2_655 ? Ag18 S22 S23 48.07(9) . 2_655 ? Ag18 S22 S23 129.62(16) 2_655 2_655 ? Ag2C S22 S23 93.36(12) 2_655 . ? Ag2C S22 S23 88.96(12) . . ? Ag17 S22 S23 125.43(15) 2_655 . ? Ag17 S22 S23 52.29(9) . . ? Ag2D S22 S23 93.31(15) 2_655 . ? Ag2D S22 S23 90.13(15) . . ? Ag18 S22 S23 129.62(16) . . ? Ag18 S22 S23 48.07(9) 2_655 . ? S23 S22 S23 176.4(3) 2_655 . ? C231 S23 Ag2B 113.1(6) . 2_655 ? C231 S23 Ag19 109.7(7) . . ? Ag2B S23 Ag19 96.8(3) 2_655 . ? C231 S23 Ag2A 119.8(6) . 2_655 ? Ag2B S23 Ag2A 25.1(2) 2_655 2_655 ? Ag19 S23 Ag2A 71.77(17) . 2_655 ? C231 S23 Ag18 124.8(6) . 2_655 ? Ag2B S23 Ag18 74.5(2) 2_655 2_655 ? Ag19 S23 Ag18 124.0(2) . 2_655 ? Ag2A S23 Ag18 90.23(17) 2_655 2_655 ? C231 S23 Ag17 126.2(6) . . ? Ag2B S23 Ag17 120.5(3) 2_655 . ? Ag19 S23 Ag17 70.08(15) . . ? Ag2A S23 Ag17 111.2(2) 2_655 . ? Ag18 S23 Ag17 68.36(12) 2_655 . ? C231 S23 S22 166.4(6) . . ? Ag2B S23 S22 76.5(2) 2_655 . ? Ag19 S23 S22 77.53(15) . . ? Ag2A S23 S22 73.14(16) 2_655 . ? Ag18 S23 S22 46.51(10) 2_655 . ? Ag17 S23 S22 44.15(10) . . ? Ag2A S31 Ag22 102.9(2) 2_655 . ? Ag2A S31 Ag2F 99.4(2) 2_655 2_655 ? Ag22 S31 Ag2F 155.9(3) . 2_655 ? Ag2A S31 Ag2F 130.9(3) 2_655 . ? Ag22 S31 Ag2F 78.2(2) . . ? Ag2F S31 Ag2F 80.37(19) 2_655 . ? Ag2A S31 Ag2D 86.0(3) 2_655 . ? Ag22 S31 Ag2D 97.5(3) . . ? Ag2F S31 Ag2D 74.88(18) 2_655 . ? Ag2F S31 Ag2D 46.07(15) . . ? Ag2A S31 Ag2D 73.6(2) 2_655 2_655 ? Ag22 S31 Ag2D 134.9(3) . 2_655 ? Ag2F S31 Ag2D 45.06(14) 2_655 2_655 ? Ag2F S31 Ag2D 72.53(18) . 2_655 ? Ag2D S31 Ag2D 38.02(18) . 2_655 ? Ag2A S31 Ag24 74.3(2) 2_655 2_655 ? Ag22 S31 Ag24 122.2(2) . 2_655 ? Ag2F S31 Ag24 72.80(19) 2_655 2_655 ? Ag2F S31 Ag24 146.5(3) . 2_655 ? Ag2D S31 Ag24 138.4(3) . 2_655 ? Ag2D S31 Ag24 100.6(2) 2_655 2_655 ? Ag2A S31 Ag25 123.7(2) 2_655 . ? Ag22 S31 Ag25 75.61(17) . . ? Ag2F S31 Ag25 99.5(2) 2_655 . ? Ag2F S31 Ag25 104.4(2) . . ? Ag2D S31 Ag25 150.2(3) . . ? Ag2D S31 Ag25 144.5(3) 2_655 . ? Ag24 S31 Ag25 61.90(16) 2_655 . ? Ag2A S31 Ag26 155.6(3) 2_655 . ? Ag22 S31 Ag26 101.4(2) . . ? Ag2F S31 Ag26 57.06(15) 2_655 . ? Ag2F S31 Ag26 56.90(14) . . ? Ag2D S31 Ag26 92.75(18) . . ? Ag2D S31 Ag26 90.55(17) 2_655 . ? Ag24 S31 Ag26 91.1(2) 2_655 . ? Ag25 S31 Ag26 61.28(15) . . ? Ag2A S31 Ag2E 135.6(3) 2_655 . ? Ag22 S31 Ag2E 63.01(16) . . ? Ag2F S31 Ag2E 94.43(19) 2_655 . ? Ag2F S31 Ag2E 15.93(10) . . ? Ag2D S31 Ag2E 57.34(16) . . ? Ag2D S31 Ag2E 87.77(19) 2_655 . ? Ag24 S31 Ag2E 149.8(3) 2_655 . ? Ag25 S31 Ag2E 94.8(2) . . ? Ag26 S31 Ag2E 59.62(13) . . ? Ag2A S31 Ag19 54.75(17) 2_655 . ? Ag22 S31 Ag19 57.89(15) . . ? Ag2F S31 Ag19 133.0(3) 2_655 . ? Ag2F S31 Ag19 89.6(2) . . ? Ag2D S31 Ag19 65.70(19) . . ? Ag2D S31 Ag19 88.0(2) 2_655 . ? Ag24 S31 Ag19 123.4(2) 2_655 . ? Ag25 S31 Ag19 127.46(17) . . ? Ag26 S31 Ag19 145.1(2) . . ? Ag2E S31 Ag19 85.47(17) . . ? Ag2A S31 Ag2C 78.9(2) 2_655 . ? Ag22 S31 Ag2C 85.2(2) . . ? Ag2F S31 Ag2C 90.26(18) 2_655 . ? Ag2F S31 Ag2C 52.13(14) . . ? Ag2D S31 Ag2C 16.01(11) . . ? Ag2D S31 Ag2C 49.74(14) 2_655 . ? Ag24 S31 Ag2C 145.0(2) 2_655 . ? Ag25 S31 Ag2C 152.9(2) . . ? Ag26 S31 Ag2C 105.22(16) . . ? Ag2E S31 Ag2C 59.03(13) . . ? Ag19 S31 Ag2C 49.97(11) . . ? C16 C11 C12 133(2) . . ? C16 C11 S1 111.9(16) . . ? C12 C11 S1 114.6(16) . . ? C11 C12 C13 111(2) . . ? C14 C13 C12 123(2) . . ? C13 C14 C15 121(3) . . ? C13 C14 C17 117(2) . . ? C15 C14 C17 123(2) . . ? C14 C15 C16 121(2) . . ? C11 C16 C15 112(2) . . ? C20 C17 C18 121(4) . . ? C20 C17 C19 113(3) . . ? C18 C17 C19 110(3) . . ? C20 C17 C14 101(3) . . ? C18 C17 C14 114(3) . . ? C19 C17 C14 94(2) . . ? C22 C21 C26 122.2(19) . . ? C22 C21 S2 119.5(17) . . ? C26 C21 S2 118.1(14) . . ? C21 C22 C23 123(2) . . ? C22 C23 C24 118(2) . . ? C23 C24 C25 121(2) . . ? C23 C24 C27 124(2) . . ? C25 C24 C27 115(2) . . ? C26 C25 C24 113.6(19) . . ? C21 C26 C25 120.8(18) . . ? C24 C27 C30 107(2) . . ? C24 C27 C29 115(2) . . ? C30 C27 C29 106(3) . . ? C24 C27 C28 109(2) . . ? C30 C27 C28 113(2) . . ? C29 C27 C28 107(2) . . ? C32 C31 C36 120.0 . . ? C32 C31 S3 120.3(9) . . ? C36 C31 S3 119.2(9) . . ? C33 C32 C31 120.0 . . ? C32 C33 C34 120.0 . . ? C35 C34 C33 120.0 . . ? C35 C34 C37 120.9(10) . . ? C33 C34 C37 119.0(10) . . ? C34 C35 C36 120.0 . . ? C35 C36 C31 120.0 . . ? C38 C37 C34 100(2) . . ? C38 C37 C39 115(2) . . ? C34 C37 C39 110(2) . . ? C38 C37 C40 116(3) . . ? C34 C37 C40 104(2) . . ? C39 C37 C40 109(2) . . ? C46 C41 C42 125.7(19) . . ? C46 C41 S4 119.1(17) . . ? C42 C41 S4 115.1(17) . . ? C43 C42 C41 113(2) . . ? C44 C43 C42 120(2) . . ? C45 C44 C43 122(2) . . ? C45 C44 C47 115(2) . . ? C43 C44 C47 122(2) . . ? C44 C45 C46 120(2) . . ? C41 C46 C45 118(2) . . ? C50 C47 C49B 122(3) . . ? C50 C47 C44 120(3) . . ? C49B C47 C44 116(3) . . ? C50 C47 C50B 56(2) . . ? C49B C47 C50B 107.7(16) . . ? C44 C47 C50B 115(3) . . ? C50 C47 C48B 48(2) . . ? C49B C47 C48B 107.3(16) . . ? C44 C47 C48B 104(2) . . ? C50B C47 C48B 104.6(15) . . ? C50 C47 C49 106(2) . . ? C49B C47 C49 45(2) . . ? C44 C47 C49 106(2) . . ? C50B C47 C49 138(3) . . ? C48B C47 C49 68(2) . . ? C50 C47 C48 106(2) . . ? C49B C47 C48 56(2) . . ? C44 C47 C48 116(2) . . ? C50B C47 C48 58(2) . . ? C48B C47 C48 140(3) . . ? C49 C47 C48 100(2) . . ? C49B C48 C50B 111(2) . . ? C49B C48 C47 58.4(15) . . ? C50B C48 C47 58.8(16) . . ? C49B C49 C47 63.0(19) . . ? C49B C49 C48B 111(3) . . ? C47 C49 C48B 54.5(16) . . ? C48B C50 C50B 132(3) . . ? C48B C50 C47 68(2) . . ? C50B C50 C47 63.6(19) . . ? C50 C48B C47 63(2) . . ? C50 C48B C49 110(3) . . ? C47 C48B C49 57.5(16) . . ? C49 C49B C48 136(3) . . ? C49 C49B C47 72(3) . . ? C48 C49B C47 65.7(19) . . ? C50 C50B C48 113(3) . . ? C50 C50B C47 59.9(19) . . ? C48 C50B C47 63.1(18) . . ? C56 C51 C52 124.7(19) . . ? C56 C51 S5 118.5(18) . . ? C52 C51 S5 116.7(16) . . ? C53 C52 C51 115.9(19) . . ? C54 C53 C52 122(2) . . ? C53 C54 C55 115(2) . . ? C53 C54 C57 119(2) . . ? C55 C54 C57 126(2) . . ? C56 C55 C54 124(2) . . ? C51 C56 C55 117(2) . . ? C58 C57 C54 109(2) . . ? C58 C57 C60 119(2) . . ? C54 C57 C60 106(2) . . ? C58 C57 C59 112(2) . . ? C54 C57 C59 109(2) . . ? C60 C57 C59 101(2) . . ? C66 C61 C62 123(2) . . ? C66 C61 S6 115(2) . . ? C62 C61 S6 121.0(16) . . ? C61 C62 C63 117(2) . . ? C64 C63 C62 122(2) . . ? C63 C64 C65 121(2) . . ? C63 C64 C67 116(3) . . ? C65 C64 C67 123(3) . . ? C64 C65 C66 115(3) . . ? C61 C66 C65 121(2) . . ? C69 C67 C70 116(3) . . ? C69 C67 C64 113(2) . . ? C70 C67 C64 102(2) . . ? C69 C67 C68 109(2) . . ? C70 C67 C68 107(2) . . ? C64 C67 C68 108(3) . . ? C76 C71 C72 120.4(18) . . ? C76 C71 S7 123.3(18) . . ? C72 C71 S7 116.2(17) . . ? C73 C72 C71 116(2) . . ? C72 C73 C74 121(2) . . ? C75 C74 C73 119(2) . . ? C75 C74 C77 117(2) . . ? C73 C74 C77 124(2) . . ? C74 C75 C76 124(2) . . ? C75 C76 C71 119(2) . . ? C79 C77 C80 120(3) . . ? C79 C77 C78 114(3) . . ? C80 C77 C78 109(2) . . ? C79 C77 C74 112(3) . . ? C80 C77 C74 105(2) . . ? C78 C77 C74 95(3) . . ? C82 C81 C86 120.0 . . ? C82 C81 S8 118.2(18) . . ? C86 C81 S8 120.9(18) . . ? C83 C82 C81 120.0 . . ? C82 C83 C84 120.0 . . ? C85 C84 C83 120.0 . . ? C85 C84 C87 127(2) . . ? C83 C84 C87 113(2) . . ? C84 C85 C86 120.0 . . ? C85 C86 C81 120.0 . . ? C88 C87 C89 110.7(16) . . ? C88 C87 C90 109.2(16) . . ? C89 C87 C90 107.4(15) . . ? C88 C87 C84 109.5(15) . . ? C89 C87 C84 111.0(15) . . ? C90 C87 C84 108.9(16) . . ? C92 C91 C96 118.1(18) . . ? C92 C91 S9 119.9(15) . . ? C96 C91 S9 122.0(15) . . ? C91 C92 C93 119.9(19) . . ? C94 C93 C92 120.9(19) . . ? C93 C94 C95 118(2) . . ? C93 C94 C97 120.6(19) . . ? C95 C94 C97 121(2) . . ? C94 C95 C96 121(3) . . ? C91 C96 C95 121(2) . . ? C100 C97 C98 112(2) . . ? C100 C97 C99 113(2) . . ? C98 C97 C99 108(2) . . ? C100 C97 C94 109(2) . . ? C98 C97 C94 107(2) . . ? C99 C97 C94 107(2) . . ? C102 C101 C106 119(2) . . ? C102 C101 S10 118.7(18) . . ? C106 C101 S10 121.7(16) . . ? C101 C102 C103 123(3) . . ? C104 C103 C102 109(3) . . ? C105 C104 C103 125(3) . . ? C105 C104 C107 121(2) . . ? C103 C104 C107 113(2) . . ? C104 C105 C106 125(3) . . ? C101 C106 C105 116(2) . . ? C110 C107 C108 120(3) . . ? C110 C107 C104 104(2) . . ? C108 C107 C104 111(2) . . ? C110 C107 C109 111(2) . . ? C108 C107 C109 106(2) . . ? C104 C107 C109 103(2) . . ? C112 C111 C116 123(2) . . ? C112 C111 S11 119.0(16) . . ? C116 C111 S11 117.5(17) . . ? C111 C112 C113 122(2) . . ? C112 C113 C114 111(2) . . ? C115 C114 C113 127(3) . . ? C115 C114 C117 116(3) . . ? C113 C114 C117 115(3) . . ? C114 C115 C116 113(3) . . ? C111 C116 C115 122(2) . . ? C119 C117 C118 122(4) . . ? C119 C117 C120 113(4) . . ? C118 C117 C120 111(3) . . ? C119 C117 C114 110(3) . . ? C118 C117 C114 97(3) . . ? C120 C117 C114 101(3) . . ? C122 C121 C126 120.0 . . ? C122 C121 S12 121.4(12) . . ? C126 C121 S12 118.5(12) . . ? C121 C122 C123 120.0 . . ? C124 C123 C122 120.0 . . ? C125 C124 C123 120.0 . . ? C125 C124 C127 116.7(17) . . ? C123 C124 C127 123.2(17) . . ? C124 C125 C126 120.0 . . ? C125 C126 C121 120.0 . . ? C129 C127 C128 108.6(17) . . ? C129 C127 C130 104.6(16) . . ? C128 C127 C130 103.8(16) . . ? C129 C127 C124 112(3) . . ? C128 C127 C124 104(2) . . ? C130 C127 C124 122(3) . . ? C132 C131 C136 122.6(19) . . ? C132 C131 S13 118.9(15) . . ? C136 C131 S13 118.3(17) . . ? C131 C132 C133 115(2) . . ? C134 C133 C132 128(2) . . ? C135 C134 C133 112(2) . . ? C135 C134 C137 122(2) . . ? C133 C134 C137 125(3) . . ? C134 C135 C136 125(2) . . ? C131 C136 C135 116(2) . . ? C138 C137 C139 101(2) . . ? C138 C137 C134 107(2) . . ? C139 C137 C134 107(2) . . ? C138 C137 C140 109(2) . . ? C139 C137 C140 123(2) . . ? C134 C137 C140 109.2(19) . . ? C142 C141 C146 114.9(19) . . ? C142 C141 S14 124.3(15) . . ? C146 C141 S14 120.8(15) . . ? C143 C142 C141 123(2) . . ? C142 C143 C144 120(2) . . ? C145 C144 C147 122(2) . . ? C145 C144 C143 116(2) . . ? C147 C144 C143 122(2) . . ? C146 C145 C144 124(2) . . ? C145 C146 C141 121.7(19) . . ? C144 C147 C149 110(2) . . ? C144 C147 C148 112(2) . . ? C149 C147 C148 117(3) . . ? C144 C147 C150 106(2) . . ? C149 C147 C150 102(2) . . ? C148 C147 C150 108(2) . . ? C152 C151 C156 118(2) . . ? C152 C151 S15 123.6(15) . . ? C156 C151 S15 118.5(16) . . ? C151 C152 C153 126(2) . . ? C152 C153 C154 114(2) . . ? C155 C154 C153 119(2) . . ? C155 C154 C157 126(3) . . ? C153 C154 C157 114(2) . . ? C154 C155 C156 117(3) . . ? C151 C156 C155 123(2) . . ? C158 C157 C159 126(3) . . ? C158 C157 C160 112(2) . . ? C159 C157 C160 86(2) . . ? C158 C157 C154 112(2) . . ? C159 C157 C154 110(3) . . ? C160 C157 C154 106(2) . . ? C162 C161 C166 118(2) . . ? C162 C161 S16 116.3(19) . . ? C166 C161 S16 125(2) . . ? C161 C162 C163 117(2) . . ? C164 C163 C162 119(2) . . ? C165 C164 C163 125(2) . . ? C165 C164 C167 114(2) . . ? C163 C164 C167 120(2) . . ? C164 C165 C166 115(3) . . ? C165 C166 C161 125(3) . . ? C168 C167 C170 120(3) . . ? C168 C167 C169 120(3) . . ? C170 C167 C169 89(3) . . ? C168 C167 C164 109(2) . . ? C170 C167 C164 112(3) . . ? C169 C167 C164 104(2) . . ? C182 C181 C186 120.0 . . ? C182 C181 S18 118.7(12) . . ? C186 C181 S18 121.2(12) . . ? C183 C182 C181 120.0 . . ? C184 C183 C182 120.0 . . ? C183 C184 C185 120.0 . . ? C183 C184 C187 113.5(18) . . ? C185 C184 C187 126.5(18) . . ? C184 C185 C186 120.0 . . ? C185 C186 C181 120.0 . . ? C190 C187 C189 123(3) . . ? C190 C187 C188 114(3) . . ? C189 C187 C188 109(3) . . ? C190 C187 C184 94(3) . . ? C189 C187 C184 117(3) . . ? C188 C187 C184 98(3) . . ? C196 C191 C192 120.1(18) . . ? C196 C191 S19 123.3(16) . . ? C192 C191 S19 116.6(16) . . ? C191 C192 C193 119(2) . . ? C194 C193 C192 118(2) . . ? C193 C194 C195 123.7(17) . . ? C193 C194 C197 124(2) . . ? C195 C194 C197 113(2) . . ? C196 C195 C194 114.9(19) . . ? C191 C196 C195 125(2) . . ? C200 C197 C199 131(3) . . ? C200 C197 C194 116(2) . . ? C199 C197 C194 107.0(19) . . ? C200 C197 C198 102(2) . . ? C199 C197 C198 98.0(18) . . ? C194 C197 C198 92.6(18) . . ? C212 C211 C216 120.4(19) . . ? C212 C211 S21 123.5(15) . . ? C216 C211 S21 116.2(16) . . ? C213 C212 C211 124(2) . . ? C212 C213 C214 118(2) . . ? C215 C214 C213 118.9(19) . . ? C215 C214 C217 120(2) . . ? C213 C214 C217 120(2) . . ? C214 C215 C216 122(2) . . ? C211 C216 C215 116(2) . . ? C21B C217 C21C 109.3(16) . . ? C21B C217 C21A 106.7(16) . . ? C21C C217 C21A 108.3(16) . . ? C21B C217 C218 133(3) . . ? C21C C217 C218 51(2) . . ? C21A C217 C218 59(2) . . ? C21B C217 C214 118(2) . . ? C21C C217 C214 110(3) . . ? C21A C217 C214 105(2) . . ? C218 C217 C214 110(2) . . ? C21B C217 C219 50(2) . . ? C21C C217 C219 141(3) . . ? C21A C217 C219 62(2) . . ? C218 C217 C219 115(3) . . ? C214 C217 C219 109(2) . . ? C21B C217 C220 54.6(19) . . ? C21C C217 C220 63(2) . . ? C21A C217 C220 146(3) . . ? C218 C217 C220 111(2) . . ? C214 C217 C220 109(2) . . ? C219 C217 C220 104(3) . . ? C21C C218 C21A 122(3) . . ? C21C C218 C217 63(2) . . ? C21A C218 C217 60.3(18) . . ? C21B C219 C217 63(2) . . ? C21B C219 C21A 116(3) . . ? C217 C219 C21A 58.3(18) . . ? C21B C220 C217 59.0(17) . . ? C21B C220 C21C 107(3) . . ? C217 C220 C21C 55.8(15) . . ? C218 C21A C217 60.8(19) . . ? C218 C21A C219 115(3) . . ? C217 C21A C219 60(2) . . ? C219 C21B C220 133(3) . . ? C219 C21B C217 67(2) . . ? C220 C21B C217 66.4(19) . . ? C218 C21C C217 66(2) . . ? C218 C21C C220 124(3) . . ? C217 C21C C220 61.7(17) . . ? C232 C231 C236 113(2) . . ? C232 C231 S23 120.8(16) . . ? C236 C231 S23 123.8(18) . . ? C231 C232 C233 121(2) . . ? C234 C233 C232 119(2) . . ? C235 C234 C233 122(2) . . ? C235 C234 C237 116(2) . . ? C233 C234 C237 119(2) . . ? C234 C235 C236 119(2) . . ? C235 C236 C231 123(2) . . ? C238 C237 C239 114(2) . . ? C238 C237 C240 108(2) . . ? C239 C237 C240 108(2) . . ? C238 C237 C234 111(2) . . ? C239 C237 C234 109.4(18) . . ? C240 C237 C234 107(2) . . ? S33 C301 S32 173.8(19) . . ? O1 C402 C403 123(3) . . ? O1 C402 C401 118(2) . . ? C403 C402 C401 110.1(19) . . ? O2 C405 C406 126.8(19) . . ? O2 C405 C404 122.2(19) . . ? C406 C405 C404 110.4(15) . . ? O4 C411 C410 124(2) . . ? O4 C411 C412 124(2) . . ? C410 C411 C412 111.4(16) . . ? O5 C414 C413 124(2) . . ? O5 C414 C415 124(2) . . ? C413 C414 C415 109.7(15) . . ? C503 N1 C501 114.6(17) . . ? C503 N1 C505 112.2(18) . . ? C501 N1 C505 111.5(16) . . ? N1 C501 C502 109(2) . . ? N1 C503 C504 89(2) . . ? N1 C505 C506 91(2) . . ? C509 N2A C507 118.3(17) . . ? C509 N2A C511 119.1(18) . . ? C507 N2A C511 117(2) . . ? N2A C507 C508 114(2) . . ? N2A C509 C510 114.0(18) . . ? C509 C510 N2B 128(2) . . ? C509 C510 C517 161(2) . . ? N2B C510 C517 57.5(11) . . ? N2A C511 C512 112(2) . . ? C513 N2B C515 118.4(19) . . ? C513 N2B C517 112.9(19) . . ? C515 N2B C517 112.1(17) . . ? C513 N2B C510 119(2) . . ? C515 N2B C510 118(2) . . ? C517 N2B C510 62(2) . . ? N2B C513 C514 114(2) . . ? N2B C515 C516 117(2) . . ? N2B C517 C518 109.6(18) . . ? N2B C517 C510 60.4(18) . . ? C518 C517 C510 108(4) . . ? _diffrn_measured_fraction_theta_max 0.932 _diffrn_reflns_theta_full 25.00 _diffrn_measured_fraction_theta_full 0.932 _refine_diff_density_max 3.102 _refine_diff_density_min -1.596 _refine_diff_density_rms 0.184