# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
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data_11_a_sq
_database_code_depnum_ccdc_archive 'CCDC 2022214'
loop_
_audit_author_name
_audit_author_address
'Xu Liu'
;university of science and technology of china
China
;
_audit_update_record             
;
2020-08-08 deposited with the CCDC.	2021-01-05 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C224 H252 Au44 S28'
_chemical_formula_weight         12508.45

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'
Au Au -2.0133 8.8022 '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'

_space_group_crystal_system      trigonal
_space_group_IT_number           167
_space_group_name_H-M_alt        'R -3 c :H'
_space_group_name_Hall           '-R 3 2"c'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'y, x, -z+1/2'
'x-y, -y, -z+1/2'
'-x, -x+y, -z+1/2'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'y+2/3, x+1/3, -z+5/6'
'x-y+2/3, -y+1/3, -z+5/6'
'-x+2/3, -x+y+1/3, -z+5/6'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'y+1/3, x+2/3, -z+7/6'
'x-y+1/3, -y+2/3, -z+7/6'
'-x+1/3, -x+y+2/3, -z+7/6'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-y, -x, z-1/2'
'-x+y, y, z-1/2'
'x, x-y, z-1/2'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-y+2/3, -x+1/3, z-1/6'
'-x+y+2/3, y+1/3, z-1/6'
'x+2/3, x-y+1/3, z-1/6'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
'-y+1/3, -x+2/3, z+1/6'
'-x+y+1/3, y+2/3, z+1/6'
'x+1/3, x-y+2/3, z+1/6'

_cell_length_a                   45.692(2)
_cell_length_b                   45.692(2)
_cell_length_c                   77.435(4)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     140008(14)
_cell_formula_units_Z            18
_cell_measurement_temperature    193(2)
_cell_measurement_reflns_used    9330
_cell_measurement_theta_min      2.26
_cell_measurement_theta_max      26.07

_exptl_crystal_description       block
_exptl_crystal_colour            ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.670
_exptl_crystal_F_000             99360
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.120
_exptl_crystal_size_mid          0.110
_exptl_crystal_size_min          0.090
_exptl_absorpt_coefficient_mu    20.874
_shelx_estimated_absorpt_T_min   0.188
_shelx_estimated_absorpt_T_max   0.255
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.0856
_exptl_absorpt_correction_T_max  0.2616
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      193(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            432161
_diffrn_reflns_av_unetI/netI     0.0547
_diffrn_reflns_av_R_equivalents  0.1146
_diffrn_reflns_limit_h_min       -59
_diffrn_reflns_limit_h_max       59
_diffrn_reflns_limit_k_min       -59
_diffrn_reflns_limit_k_max       52
_diffrn_reflns_limit_l_min       -96
_diffrn_reflns_limit_l_max       100
_diffrn_reflns_theta_min         1.929
_diffrn_reflns_theta_max         27.481
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             35644
_reflns_number_gt                23024
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0744P)²+5929.5830P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         35644
_refine_ls_number_parameters     1351
_refine_ls_number_restraints     1789
_refine_ls_R_factor_all          0.0923
_refine_ls_R_factor_gt           0.0488
_refine_ls_wR_factor_ref         0.1596
_refine_ls_wR_factor_gt          0.1309
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_restrained_S_all      0.995
_refine_ls_shift/su_max          0.004
_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.55669(2) 0.66904(2) 0.62333(2) 0.05037(14) Uani 1 1 d . . . . .
Au2 Au 0.61538(2) 0.71809(2) 0.60104(2) 0.04136(12) Uani 1 1 d . . . . .
Au3 Au 0.55256(2) 0.73658(2) 0.58115(2) 0.05589(16) Uani 1 1 d . . . . .
Au4 Au 0.666667 0.78416(2) 0.583333 0.04820(19) Uani 1 2 d S T P . .
Au5 Au 0.666667 0.71454(2) 0.583333 0.03733(15) Uani 1 2 d S T P . .
Au6 Au 0.66465(2) 0.71380(2) 0.61903(2) 0.04180(12) Uani 1 1 d . . . . .
Au7 Au 0.61498(2) 0.65269(2) 0.64584(2) 0.05340(15) Uani 1 1 d . . . . .
Au8 Au 0.67328(2) 0.65335(2) 0.61939(2) 0.04479(13) Uani 1 1 d . . . . .
Au9 Au 0.666667 0.65174(2) 0.583333 0.04112(17) Uani 1 2 d S T P . .
Au10 Au 0.72208(2) 0.70584(2) 0.64331(2) 0.04994(14) Uani 1 1 d . . . . .
Au11 Au 0.72107(2) 0.70979(2) 0.60204(2) 0.04069(12) Uani 1 1 d . . . . .
Au12 Au 0.71926(2) 0.70985(2) 0.56377(2) 0.04027(12) Uani 1 1 d . . . . .
Au13 Au 0.76979(2) 0.76070(2) 0.62158(2) 0.04704(14) Uani 1 1 d . . . . .
Au14 Au 0.77141(2) 0.76760(2) 0.58656(2) 0.04516(13) Uani 1 1 d . . . . .
Au15 Au 0.80775(2) 0.83578(2) 0.62532(2) 0.0700(2) Uani 1 1 d . . . . .
Au16 Au 0.76948(2) 0.71164(2) 0.54382(2) 0.04735(14) Uani 1 1 d . . . . .
Au17 Au 0.71965(2) 0.64875(2) 0.59907(2) 0.04891(14) Uani 1 1 d . . . . .
Au18 Au 0.72713(2) 0.65247(2) 0.56162(2) 0.04991(14) Uani 1 1 d . . . . .
Au19 Au 0.666667 0.58501(2) 0.583333 0.0679(3) Uani 1 2 d S T P . .
Au20 Au 0.77408(2) 0.70740(2) 0.57842(2) 0.04779(14) Uani 1 1 d . . . . .
Au21 Au 0.78094(2) 0.63593(2) 0.57591(2) 0.06369(18) Uani 1 1 d . . . . .
Au22 Au 0.81175(2) 0.68208(2) 0.53837(2) 0.06430(18) Uani 1 1 d . . . . .
Au23 Au 0.78917(2) 0.70875(2) 0.61914(2) 0.05366(15) Uani 1 1 d . . . . .
Au24 Au 0.72382(2) 0.77299(2) 0.60489(2) 0.04374(13) Uani 1 1 d . . . . .
C1 C 0.4633(4) 0.6141(5) 0.5863(2) 0.068(3) Uani 1 1 d . U . . .
H1 H 0.472018 0.625383 0.575612 0.081 Uiso 1 1 calc R U . . .
C2 C 0.4310(5) 0.5875(5) 0.5870(2) 0.070(3) Uani 1 1 d . U . . .
C3 C 0.4175(5) 0.5731(5) 0.6029(2) 0.070(3) Uani 1 1 d . U . . .
H3 H 0.394428 0.555884 0.603490 0.084 Uiso 1 1 calc R U . . .
C4 C 0.4360(5) 0.5829(5) 0.6174(2) 0.069(3) Uani 1 1 d . U . . .
C5 C 0.4697(4) 0.6089(5) 0.6169(2) 0.065(3) Uani 1 1 d . U . . .
H5 H 0.483203 0.615644 0.627010 0.078 Uiso 1 1 calc R U . . .
C6 C 0.4834(4) 0.6249(4) 0.6007(2) 0.061(3) Uani 1 1 d . U . . .
C7 C 0.4104(6) 0.5767(6) 0.5709(3) 0.106(6) Uani 1 1 d . U . . .
H7A H 0.397006 0.588038 0.570139 0.159 Uiso 1 1 calc R U . . .
H7B H 0.395154 0.552165 0.571128 0.159 Uiso 1 1 calc R U . . .
H7C H 0.425342 0.582776 0.560866 0.159 Uiso 1 1 calc R U . . .
C8 C 0.4216(5) 0.5667(5) 0.6347(2) 0.082(5) Uani 1 1 d . U . . .
H8A H 0.405478 0.542577 0.633047 0.122 Uiso 1 1 calc R U . . .
H8B H 0.410062 0.577629 0.639973 0.122 Uiso 1 1 calc R U . . .
H8C H 0.439966 0.569324 0.642271 0.122 Uiso 1 1 calc R U . . .
C9 C 0.5706(5) 0.7482(5) 0.6226(2) 0.063(3) Uani 1 1 d . U . . .
C10 C 0.5367(5) 0.7363(4) 0.6234(2) 0.064(3) Uani 1 1 d . U . . .
H10 H 0.523895 0.731153 0.613072 0.077 Uiso 1 1 calc R U . . .
C11 C 0.5205(5) 0.7317(5) 0.6397(2) 0.071(3) Uani 1 1 d . U . . .
C12 C 0.5391(5) 0.7402(5) 0.6544(2) 0.071(3) Uani 1 1 d . U . . .
H12 H 0.528578 0.737300 0.665301 0.086 Uiso 1 1 calc R U . . .
C13 C 0.5743(5) 0.7534(5) 0.6533(2) 0.069(3) Uani 1 1 d . U . . .
C14 C 0.5886(5) 0.7562(5) 0.6378(2) 0.066(3) Uani 1 1 d . U . . .
H14 H 0.612209 0.764138 0.637354 0.079 Uiso 1 1 calc R U . . .
C15 C 0.4831(5) 0.7181(6) 0.6405(3) 0.093(5) Uani 1 1 d . U . . .
H15A H 0.471779 0.694239 0.643983 0.139 Uiso 1 1 calc R U . . .
H15B H 0.474949 0.720059 0.629152 0.139 Uiso 1 1 calc R U . . .
H15C H 0.478242 0.730979 0.649010 0.139 Uiso 1 1 calc R U . . .
C16 C 0.5949(5) 0.7615(5) 0.6702(2) 0.077(4) Uani 1 1 d . U . . .
H16A H 0.617665 0.765629 0.667536 0.116 Uiso 1 1 calc R U . . .
H16B H 0.583702 0.742334 0.678120 0.116 Uiso 1 1 calc R U . . .
H16C H 0.596529 0.781672 0.675530 0.116 Uiso 1 1 calc R U . . .
C17 C 0.5619(6) 0.6712(6) 0.6662(3) 0.083(4) Uani 1 1 d . U . . .
C18 C 0.5294(6) 0.6627(6) 0.6650(3) 0.087(4) Uani 1 1 d . U . . .
H18 H 0.519742 0.661708 0.654034 0.105 Uiso 1 1 calc R U . . .
C19 C 0.5097(6) 0.6553(6) 0.6797(3) 0.090(4) Uani 1 1 d . U . . .
C20 C 0.5245(6) 0.6569(6) 0.6954(3) 0.092(4) Uani 1 1 d . U . . .
H20 H 0.511715 0.654060 0.705548 0.110 Uiso 1 1 calc R U . . .
C21 C 0.5575(6) 0.6626(6) 0.6972(3) 0.089(4) Uani 1 1 d . U . . .
C22 C 0.5764(6) 0.6691(5) 0.6824(3) 0.087(4) Uani 1 1 d . U . . .
H22 H 0.598527 0.672075 0.682792 0.104 Uiso 1 1 calc R U . . .
C23 C 0.4735(6) 0.6467(7) 0.6778(3) 0.113(6) Uani 1 1 d . U . . .
H23A H 0.459805 0.623316 0.673812 0.170 Uiso 1 1 calc R U . . .
H23B H 0.472042 0.661978 0.669423 0.170 Uiso 1 1 calc R U . . .
H23C H 0.464992 0.649187 0.689025 0.170 Uiso 1 1 calc R U . . .
C24 C 0.5727(6) 0.6608(6) 0.7140(3) 0.098(6) Uani 1 1 d . U . . .
H24A H 0.596337 0.678982 0.714509 0.147 Uiso 1 1 calc R U . . .
H24B H 0.571594 0.638919 0.715000 0.147 Uiso 1 1 calc R U . . .
H24C H 0.560108 0.663457 0.723566 0.147 Uiso 1 1 calc R U . . .
C25 C 0.6676(7) 0.6325(6) 0.6639(3) 0.104(4) Uani 1 1 d . U . . .
C26 C 0.6603(7) 0.6455(6) 0.6784(3) 0.110(4) Uani 1 1 d . U . . .
H26 H 0.643596 0.651899 0.677310 0.133 Uiso 1 1 calc R U . . .
C27 C 0.6754(7) 0.6496(7) 0.6940(4) 0.114(4) Uani 1 1 d . U . . .
C28 C 0.7025(7) 0.6434(7) 0.6938(4) 0.118(5) Uani 1 1 d . U . . .
H28 H 0.716770 0.649697 0.703706 0.141 Uiso 1 1 calc R U . . .
C29 C 0.7098(7) 0.6283(7) 0.6797(4) 0.112(4) Uani 1 1 d . U . . .
C30 C 0.6926(7) 0.6237(6) 0.6644(3) 0.110(4) Uani 1 1 d . U . . .
H30 H 0.697633 0.614765 0.654551 0.131 Uiso 1 1 calc R U . . .
C31 C 0.6621(8) 0.6583(7) 0.7104(4) 0.134(7) Uani 1 1 d . U . . .
H31A H 0.675586 0.682597 0.712609 0.201 Uiso 1 1 calc R U . . .
H31B H 0.663948 0.645821 0.720229 0.201 Uiso 1 1 calc R U . . .
H31C H 0.638404 0.651919 0.708708 0.201 Uiso 1 1 calc R U . . .
C32 C 0.7372(7) 0.6215(7) 0.6812(4) 0.139(7) Uani 1 1 d . U . . .
H32A H 0.737487 0.608951 0.670997 0.208 Uiso 1 1 calc R U . . .
H32B H 0.734152 0.608089 0.691588 0.208 Uiso 1 1 calc R U . . .
H32C H 0.758629 0.642916 0.681944 0.208 Uiso 1 1 calc R U . . .
C33 C 0.7322(5) 0.7787(5) 0.6660(2) 0.068(3) Uani 1 1 d . U . . .
H33 H 0.743632 0.766399 0.667993 0.082 Uiso 1 1 calc R U . . .
C34 C 0.7439(5) 0.8104(5) 0.6733(2) 0.068(3) Uani 1 1 d . U . . .
C35 C 0.7283(5) 0.8282(5) 0.6705(2) 0.072(3) Uani 1 1 d . U . . .
H35 H 0.737631 0.850204 0.675241 0.087 Uiso 1 1 calc R U . . .
C36 C 0.6981(5) 0.8149(5) 0.6605(2) 0.066(3) Uani 1 1 d . U . . .
C37 C 0.6865(5) 0.7834(4) 0.6529(2) 0.064(3) Uani 1 1 d . U . . .
H37 H 0.666835 0.774032 0.645880 0.077 Uiso 1 1 calc R U . . .
C38 C 0.7034(4) 0.7653(4) 0.6557(2) 0.061(3) Uani 1 1 d . U . . .
C39 C 0.7746(5) 0.8242(6) 0.6843(3) 0.094(6) Uani 1 1 d . U . . .
H39A H 0.772016 0.836133 0.694184 0.141 Uiso 1 1 calc R U . . .
H39B H 0.794392 0.839962 0.677525 0.141 Uiso 1 1 calc R U . . .
H39C H 0.777645 0.805649 0.688461 0.141 Uiso 1 1 calc R U . . .
C40 C 0.6813(5) 0.8359(5) 0.6572(3) 0.086(5) Uani 1 1 d . U . . .
H40A H 0.675749 0.835015 0.644931 0.129 Uiso 1 1 calc R U . . .
H40B H 0.696731 0.859436 0.660570 0.129 Uiso 1 1 calc R U . . .
H40C H 0.660525 0.826902 0.664075 0.129 Uiso 1 1 calc R U . . .
C41 C 0.7861(7) 0.7057(8) 0.6615(3) 0.112(5) Uani 1 1 d . U . . .
C42 C 0.7745(7) 0.7175(7) 0.6751(3) 0.113(4) Uani 1 1 d . U . . .
H42 H 0.752986 0.715869 0.674332 0.136 Uiso 1 1 calc R U . . .
C43 C 0.7945(7) 0.7316(8) 0.6898(3) 0.119(5) Uani 1 1 d . U . . .
C44 C 0.8250(7) 0.7324(8) 0.6898(3) 0.125(5) Uani 1 1 d . U . . .
H44 H 0.840527 0.744289 0.698862 0.150 Uiso 1 1 calc R U . . .
C45 C 0.8342(7) 0.7163(8) 0.6772(3) 0.124(5) Uani 1 1 d . U . . .
C46 C 0.8151(7) 0.7065(8) 0.6633(3) 0.122(5) Uani 1 1 d . U . . .
H46 H 0.822897 0.699401 0.653712 0.146 Uiso 1 1 calc R U . . .
C47 C 0.7799(8) 0.7443(8) 0.7047(3) 0.134(7) Uani 1 1 d . U . . .
H47A H 0.781869 0.765912 0.701403 0.200 Uiso 1 1 calc R U . . .
H47B H 0.792795 0.747364 0.715375 0.200 Uiso 1 1 calc R U . . .
H47C H 0.756114 0.727574 0.706712 0.200 Uiso 1 1 calc R U . . .
C48 C 0.8695(8) 0.7199(9) 0.6795(4) 0.151(8) Uani 1 1 d . U . . .
H48A H 0.866899 0.698692 0.684060 0.227 Uiso 1 1 calc R U . . .
H48B H 0.882817 0.738275 0.687630 0.227 Uiso 1 1 calc R U . . .
H48C H 0.881046 0.724917 0.668339 0.227 Uiso 1 1 calc R U . . .
C49 C 0.8449(6) 0.8041(6) 0.6464(3) 0.130(5) Uani 1 1 d . U . . .
C50 C 0.8661(6) 0.8284(5) 0.6575(3) 0.140(5) Uani 1 1 d . U . . .
H50 H 0.858102 0.841431 0.663209 0.168 Uiso 1 1 calc R U . . .
C51 C 0.8975(6) 0.8351(5) 0.6608(2) 0.139(5) Uani 1 1 d D U . . .
C52 C 0.9081(6) 0.8168(6) 0.6527(3) 0.140(5) Uani 1 1 d . U . . .
H52 H 0.930458 0.821365 0.654892 0.169 Uiso 1 1 calc R U . . .
C53 C 0.8890(6) 0.7918(6) 0.6414(3) 0.138(5) Uani 1 1 d . U . . .
C54 C 0.8558(6) 0.7857(6) 0.6383(3) 0.136(5) Uani 1 1 d . U . . .
H54 H 0.841342 0.768457 0.630466 0.163 Uiso 1 1 calc R U . . .
C55 C 0.9168(7) 0.8630(6) 0.6735(3) 0.174(8) Uani 1 1 d D U . . .
H55A H 0.913201 0.853551 0.685208 0.261 Uiso 1 1 calc R U . . .
H55B H 0.908820 0.879308 0.672955 0.261 Uiso 1 1 calc R U . . .
H55C H 0.940932 0.874406 0.670742 0.261 Uiso 1 1 calc R U . . .
C56 C 0.8998(6) 0.7690(7) 0.6314(4) 0.152(7) Uani 1 1 d . U . . .
H56A H 0.924561 0.780063 0.631145 0.227 Uiso 1 1 calc R U . . .
H56B H 0.891228 0.765638 0.619517 0.227 Uiso 1 1 calc R U . . .
H56C H 0.890537 0.747118 0.637180 0.227 Uiso 1 1 calc R U . . .
C57 C 0.8603(3) 0.8906(5) 0.6011(2) 0.147(5) Uani 1 1 d DG U . . .
C58 C 0.8855(5) 0.9030(5) 0.61359(17) 0.155(6) Uani 1 1 d DG U . . .
H58 H 0.879882 0.902742 0.625418 0.186 Uiso 1 1 calc R U . . .
C59 C 0.9191(4) 0.9158(4) 0.6088(2) 0.155(6) Uani 1 1 d DG U . . .
C60 C 0.9273(3) 0.9161(4) 0.5915(2) 0.151(5) Uani 1 1 d DG U . . .
H60 H 0.950238 0.924885 0.588165 0.182 Uiso 1 1 calc R U . . .
C61 C 0.9021(4) 0.9037(4) 0.57899(17) 0.143(5) Uani 1 1 d DG U . . .
C62 C 0.8686(4) 0.8909(5) 0.5838(2) 0.141(5) Uani 1 1 d DG U . . .
H62 H 0.851297 0.882436 0.575282 0.169 Uiso 1 1 calc R U . . .
C63 C 0.9436(7) 0.9283(7) 0.6236(3) 0.192(9) Uani 1 1 d D U . . .
H63A H 0.950587 0.951951 0.626010 0.288 Uiso 1 1 calc R U . . .
H63B H 0.963505 0.926512 0.620600 0.288 Uiso 1 1 calc R U . . .
H63C H 0.932757 0.914562 0.633871 0.288 Uiso 1 1 calc R U . . .
C64 C 0.9132(6) 0.9050(6) 0.5607(2) 0.137(7) Uani 1 1 d D U . . .
H64A H 0.894336 0.888047 0.553828 0.206 Uiso 1 1 calc R U . . .
H64B H 0.931966 0.900357 0.560356 0.206 Uiso 1 1 calc R U . . .
H64C H 0.920751 0.927542 0.555901 0.206 Uiso 1 1 calc R U . . .
C65 C 0.7170(5) 0.8432(4) 0.6117(2) 0.066(3) Uani 1 1 d . U . . .
C66 C 0.7416(4) 0.8560(4) 0.6247(2) 0.068(3) Uani 1 1 d . U . . .
H66 H 0.745232 0.841178 0.631750 0.081 Uiso 1 1 calc R U . . .
C67 C 0.7606(5) 0.8909(5) 0.6271(3) 0.074(3) Uani 1 1 d . U . . .
C68 C 0.7536(5) 0.9116(5) 0.6157(3) 0.076(3) Uani 1 1 d . U . . .
H68 H 0.767028 0.935456 0.616929 0.091 Uiso 1 1 calc R U . . .
C69 C 0.7289(5) 0.8994(5) 0.6032(3) 0.073(3) Uani 1 1 d . U . . .
C70 C 0.7107(5) 0.8639(4) 0.6004(3) 0.070(3) Uani 1 1 d . U . . .
H70 H 0.694801 0.854264 0.591259 0.084 Uiso 1 1 calc R U . . .
C71 C 0.7841(5) 0.9052(5) 0.6414(3) 0.092(6) Uani 1 1 d . U . . .
H71A H 0.772969 0.909498 0.651118 0.139 Uiso 1 1 calc R U . . .
H71B H 0.803805 0.926494 0.637778 0.139 Uiso 1 1 calc R U . . .
H71C H 0.791424 0.889313 0.645037 0.139 Uiso 1 1 calc R U . . .
C72 C 0.7226(5) 0.9225(5) 0.5922(3) 0.087(5) Uani 1 1 d . U . . .
H72A H 0.743346 0.938002 0.585973 0.130 Uiso 1 1 calc R U . . .
H72B H 0.715660 0.935410 0.599496 0.130 Uiso 1 1 calc R U . . .
H72C H 0.704658 0.909111 0.583847 0.130 Uiso 1 1 calc R U . . .
C73 C 0.7685(7) 0.5786(7) 0.6074(5) 0.144(6) Uani 1 1 d . U . . .
H73 H 0.785584 0.587672 0.598808 0.173 Uiso 1 1 calc R U . . .
C74 C 0.7612(8) 0.5501(8) 0.6170(5) 0.145(6) Uani 1 1 d . U . . .
C75 C 0.7349(8) 0.5349(8) 0.6272(5) 0.150(6) Uani 1 1 d . U . . .
H75 H 0.728987 0.513453 0.631850 0.180 Uiso 1 1 calc R U . . .
C76 C 0.7155(8) 0.5495(8) 0.6313(5) 0.150(6) Uani 1 1 d . U . . .
C77 C 0.7234(7) 0.5801(7) 0.6234(5) 0.145(6) Uani 1 1 d . U . . .
H77 H 0.711232 0.591183 0.626350 0.174 Uiso 1 1 calc R U . . .
C78 C 0.7478(8) 0.5935(7) 0.6116(5) 0.143(6) Uani 1 1 d . U . . .
C79 C 0.7826(8) 0.5331(8) 0.6138(5) 0.162(8) Uani 1 1 d . U . . .
H79A H 0.784026 0.522389 0.624451 0.243 Uiso 1 1 calc R U . . .
H79B H 0.805370 0.550243 0.610121 0.243 Uiso 1 1 calc R U . . .
H79C H 0.772020 0.515999 0.604717 0.243 Uiso 1 1 calc R U . . .
C80 C 0.6877(7) 0.5339(8) 0.6452(5) 0.166(8) Uani 1 1 d . U . . .
H80A H 0.693113 0.520831 0.653380 0.250 Uiso 1 1 calc R U . . .
H80B H 0.665960 0.518899 0.639691 0.250 Uiso 1 1 calc R U . . .
H80C H 0.686456 0.551887 0.651411 0.250 Uiso 1 1 calc R U . . .
C81 C 0.8663(4) 0.7304(5) 0.5746(2) 0.064(3) Uani 1 1 d . U . . .
H81 H 0.862871 0.745578 0.567684 0.077 Uiso 1 1 calc R U . . .
C82 C 0.8892(5) 0.7209(5) 0.5694(2) 0.067(3) Uani 1 1 d . U . . .
C83 C 0.8922(4) 0.6976(5) 0.5794(2) 0.065(3) Uani 1 1 d . U . . .
H83 H 0.907556 0.690401 0.575882 0.078 Uiso 1 1 calc R U . . .
C84 C 0.8736(4) 0.6843(5) 0.5944(2) 0.064(3) Uani 1 1 d . U . . .
C85 C 0.8517(4) 0.6952(5) 0.5997(2) 0.065(3) Uani 1 1 d . U . . .
H85 H 0.839152 0.686926 0.610118 0.078 Uiso 1 1 calc R U . . .
C86 C 0.8484(4) 0.7183(4) 0.5897(2) 0.059(3) Uani 1 1 d . U . . .
C87 C 0.9082(5) 0.7349(5) 0.5527(2) 0.077(4) Uani 1 1 d . U . . .
H87A H 0.892092 0.728591 0.543181 0.115 Uiso 1 1 calc R U . . .
H87B H 0.923121 0.725562 0.550662 0.115 Uiso 1 1 calc R U . . .
H87C H 0.921761 0.759551 0.553512 0.115 Uiso 1 1 calc R U . . .
C88 C 0.8765(5) 0.6595(5) 0.6054(3) 0.079(4) Uani 1 1 d . U . . .
H88A H 0.871141 0.639377 0.598606 0.119 Uiso 1 1 calc R U . . .
H88B H 0.860542 0.653123 0.615084 0.119 Uiso 1 1 calc R U . . .
H88C H 0.899538 0.669523 0.609920 0.119 Uiso 1 1 calc R U . . .
C89 C 0.8660(6) 0.6490(6) 0.5414(3) 0.090(4) Uani 1 1 d . U . . .
H89 H 0.864771 0.663922 0.533299 0.107 Uiso 1 1 calc R U . . .
C90 C 0.8955(6) 0.6477(6) 0.5419(3) 0.092(4) Uani 1 1 d . U . . .
C91 C 0.8967(6) 0.6257(6) 0.5534(3) 0.094(4) Uani 1 1 d . U . . .
H91 H 0.916866 0.624686 0.554369 0.112 Uiso 1 1 calc R U . . .
C92 C 0.8683(6) 0.6039(6) 0.5640(3) 0.093(4) Uani 1 1 d . U . . .
C93 C 0.8398(6) 0.6079(6) 0.5627(3) 0.094(4) Uani 1 1 d . U . . .
H93 H 0.820834 0.594485 0.569871 0.113 Uiso 1 1 calc R U . . .
C94 C 0.8383(6) 0.6304(6) 0.5516(3) 0.089(4) Uani 1 1 d . U . . .
C95 C 0.9268(6) 0.6684(6) 0.5313(3) 0.099(5) Uani 1 1 d . U . . .
H95A H 0.929235 0.690597 0.528985 0.148 Uiso 1 1 calc R U . . .
H95B H 0.924963 0.656826 0.520388 0.148 Uiso 1 1 calc R U . . .
H95C H 0.946549 0.671285 0.537730 0.148 Uiso 1 1 calc R U . . .
C96 C 0.8674(7) 0.5789(7) 0.5775(3) 0.116(6) Uani 1 1 d . U . . .
H96A H 0.874755 0.590265 0.588702 0.175 Uiso 1 1 calc R U . . .
H96B H 0.882555 0.570624 0.573928 0.175 Uiso 1 1 calc R U . . .
H96C H 0.844297 0.559763 0.578521 0.175 Uiso 1 1 calc R U . . .
C97 C 0.7090(7) 0.5686(6) 0.5540(3) 0.130(5) Uani 1 1 d D U . . .
C98 C 0.7241(7) 0.5694(6) 0.5386(3) 0.137(5) Uani 1 1 d D U . . .
H98 H 0.725971 0.584507 0.529653 0.164 Uiso 1 1 calc R U . . .
C99 C 0.7363(8) 0.5477(7) 0.5363(3) 0.140(5) Uani 1 1 d D U . . .
C100 C 0.7341(8) 0.5256(7) 0.5490(3) 0.141(5) Uani 1 1 d D U . . .
H100 H 0.741965 0.510202 0.546944 0.169 Uiso 1 1 calc R U . . .
C101 C 0.7202(8) 0.5262(7) 0.5648(3) 0.140(5) Uani 1 1 d D U . . .
C102 C 0.7088(7) 0.5487(6) 0.5674(3) 0.135(5) Uani 1 1 d D U . . .
H102 H 0.700696 0.550454 0.578435 0.162 Uiso 1 1 calc R U . . .
C103 C 0.7483(9) 0.5482(8) 0.5182(5) 0.166(8) Uani 1 1 d . U . . .
H10A H 0.760028 0.535165 0.517697 0.250 Uiso 1 1 calc R U . . .
H10B H 0.763915 0.571597 0.514695 0.250 Uiso 1 1 calc R U . . .
H10C H 0.728923 0.538182 0.510320 0.250 Uiso 1 1 calc R U . . .
C104 C 0.7204(9) 0.5041(8) 0.5794(4) 0.167(8) Uani 1 1 d . U . . .
H10D H 0.732223 0.518232 0.589400 0.251 Uiso 1 1 calc R U . . .
H10E H 0.732117 0.492125 0.575588 0.251 Uiso 1 1 calc R U . . .
H10F H 0.697147 0.487604 0.582605 0.251 Uiso 1 1 calc R U . . .
C105 C 0.8219(5) 0.7331(6) 0.4897(2) 0.078(3) Uani 1 1 d . U . . .
H105 H 0.840561 0.755064 0.491724 0.093 Uiso 1 1 calc R U . . .
C106 C 0.8133(5) 0.7207(6) 0.4726(2) 0.081(3) Uani 1 1 d . U . . .
C107 C 0.7845(5) 0.6879(6) 0.4701(3) 0.083(3) Uani 1 1 d . U . . .
H107 H 0.778462 0.679625 0.458613 0.100 Uiso 1 1 calc R U . . .
C108 C 0.7650(5) 0.6677(6) 0.4836(3) 0.083(3) Uani 1 1 d . U . . .
C109 C 0.7746(5) 0.6806(6) 0.5010(2) 0.079(3) Uani 1 1 d . U . . .
H109 H 0.762112 0.667288 0.510621 0.095 Uiso 1 1 calc R U . . .
C110 C 0.8025(5) 0.7128(6) 0.5036(2) 0.076(3) Uani 1 1 d . U . . .
C111 C 0.8355(6) 0.7432(6) 0.4581(3) 0.097(5) Uani 1 1 d . U . . .
H11A H 0.857533 0.759891 0.462801 0.146 Uiso 1 1 calc R U . . .
H11B H 0.824709 0.754804 0.452747 0.146 Uiso 1 1 calc R U . . .
H11C H 0.838622 0.729363 0.449417 0.146 Uiso 1 1 calc R U . . .
C112 C 0.7369(6) 0.6340(6) 0.4806(3) 0.100(6) Uani 1 1 d . U . . .
H11D H 0.745318 0.619551 0.476130 0.151 Uiso 1 1 calc R U . . .
H11E H 0.721343 0.634989 0.472242 0.151 Uiso 1 1 calc R U . . .
H11F H 0.724896 0.624587 0.491533 0.151 Uiso 1 1 calc R U . . .
S00 S 0.81667(10) 0.72888(12) 0.52450(5) 0.0585(10) Uani 1 1 d . . . . .
S1 S 0.52268(9) 0.66307(10) 0.59994(5) 0.0482(8) Uani 1 1 d . . . . .
S2 S 0.58958(10) 0.68506(11) 0.64801(5) 0.0552(10) Uani 1 1 d . . . . .
S3 S 0.64265(10) 0.62225(10) 0.64455(5) 0.0539(9) Uani 1 1 d . . . . .
S4 S 0.68291(10) 0.72251(10) 0.64844(5) 0.0479(8) Uani 1 1 d . . . . .
S5 S 0.68980(12) 0.59393(11) 0.55604(7) 0.0701(13) Uani 1 1 d . . . . .
S6 S 0.76308(11) 0.63512(11) 0.60362(6) 0.0620(11) Uani 1 1 d . . . . .
S7 S 0.75843(11) 0.68408(12) 0.64369(6) 0.0610(11) Uani 1 1 d . . . . .
S8 S 0.59234(10) 0.75497(10) 0.60263(5) 0.0497(9) Uani 1 1 d . . . . .
S9 S 0.69102(9) 0.79855(9) 0.61042(5) 0.0478(8) Uani 1 1 d . . . . .
S10 S 0.81850(14) 0.87927(13) 0.60744(7) 0.0751(13) Uani 1 1 d . . . . .
S11 S 0.80180(12) 0.79580(13) 0.64502(6) 0.0687(12) Uani 1 1 d . . . . .
S12 S 0.82273(9) 0.73631(10) 0.59577(5) 0.0483(8) Uani 1 1 d . . . . .
S13 S 0.80029(13) 0.63134(14) 0.54923(7) 0.0744(13) Uani 1 1 d . . . . .


_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
Au1 S2 2.312(4) . ?
Au1 S1 2.312(4) . ?
Au1 Au16 2.9289(9) 18_655 ?
Au1 Au2 3.0307(8) . ?
Au1 Au12 3.3293(8) 18_655 ?
Au1 Au14 3.3774(9) 18_655 ?
Au2 S8 2.395(4) . ?
Au2 Au6 2.7369(8) . ?
Au2 Au12 2.7544(8) 18_655 ?
Au2 Au5 2.7887(6) . ?
Au2 Au14 2.9657(8) 18_655 ?
Au2 Au24 3.0494(8) 18_655 ?
Au2 Au4 3.0675(7) . ?
Au3 S8 2.291(4) . ?
Au3 S10 2.304(5) 18_655 ?
Au4 S9 2.310(4) . ?
Au4 S9 2.310(4) 18_655 ?
Au4 Au5 3.1809(11) . ?
Au4 Au24 3.3467(7) 18_655 ?
Au4 Au24 3.3467(7) . ?
Au5 Au6 2.7657(6) . ?
Au5 Au6 2.7659(6) 18_655 ?
Au5 Au9 2.8692(10) . ?
Au5 Au12 2.9378(6) 18_655 ?
Au5 Au12 2.9380(6) . ?
Au5 Au11 2.9773(6) . ?
Au5 Au11 2.9773(6) 18_655 ?
Au5 Au24 3.1250(6) 18_655 ?
Au5 Au24 3.1251(7) . ?
Au6 S4 2.389(4) . ?
Au6 Au12 2.7581(8) 18_655 ?
Au6 Au24 2.9173(8) . ?
Au6 Au8 2.9787(8) . ?
Au6 Au11 2.9806(8) . ?
Au6 Au7 3.3043(8) . ?
Au7 S2 2.298(4) . ?
Au7 S3 2.303(4) . ?
Au7 Au16 2.8216(9) 18_655 ?
Au7 Au12 3.3334(8) 18_655 ?
Au7 Au8 3.3479(9) . ?
Au8 S3 2.405(4) . ?
Au8 Au17 2.7308(8) . ?
Au8 Au11 2.7555(8) . ?
Au8 Au9 2.8056(6) . ?
Au8 Au10 2.9676(8) . ?
Au8 Au12 3.0759(8) 18_655 ?
Au8 Au18 3.1456(8) 18_655 ?
Au9 Au17 2.7740(7) . ?
Au9 Au17 2.7742(7) 18_655 ?
Au9 Au11 2.9525(6) 18_655 ?
Au9 Au11 2.9526(6) . ?
Au9 Au12 2.9557(7) 18_655 ?
Au9 Au12 2.9561(7) . ?
Au9 Au19 3.0492(12) . ?
Au9 Au18 3.2199(7) 18_655 ?
Au9 Au18 3.2201(7) . ?
Au10 S4 2.303(4) . ?
Au10 S7 2.324(4) . ?
Au10 Au13 2.8986(8) . ?
Au10 Au11 3.2026(8) . ?
Au11 Au13 2.7345(8) . ?
Au11 Au14 2.7623(8) . ?
Au11 Au17 2.7665(8) . ?
Au11 Au24 2.8358(8) . ?
Au11 Au12 2.9646(8) . ?
Au11 Au20 3.0801(8) . ?
Au12 Au16 2.7330(8) . ?
Au12 Au20 2.8024(8) . ?
Au12 Au18 2.8236(8) . ?
Au12 Au14 3.0771(8) . ?
Au13 S11 2.379(4) . ?
Au13 Au14 2.7269(8) . ?
Au13 Au24 2.7523(8) . ?
Au13 Au23 2.9254(9) . ?
Au13 Au15 2.9852(10) . ?
Au14 S1 2.364(4) 18_655 ?
Au14 Au24 2.7092(8) . ?
Au14 Au20 2.8835(9) . ?
Au15 S10 2.265(5) . ?
Au15 S11 2.290(5) . ?
Au16 S00 2.410(4) . ?
Au16 Au20 2.7023(8) . ?
Au16 Au18 2.7791(9) . ?
Au16 Au22 2.8884(9) . ?
Au17 S6 2.385(4) . ?
Au17 Au18 2.9145(9) . ?
Au17 Au19 2.9626(8) . ?
Au17 Au20 3.0426(9) . ?
Au17 Au23 3.3637(9) . ?
Au18 S5 2.385(4) . ?
Au18 Au20 2.6849(9) . ?
Au18 Au21 3.1143(9) . ?
Au19 S5 2.306(6) 18_655 ?
Au19 S5 2.306(6) . ?
Au20 S12 2.357(4) . ?
Au20 Au23 3.2216(9) . ?
Au21 S6 2.289(5) . ?
Au21 S13 2.298(5) . ?
Au22 S13 2.268(5) . ?
Au22 S00 2.301(5) . ?
Au23 S7 2.297(4) . ?
Au23 S12 2.298(4) . ?
Au24 S9 2.355(4) . ?
C1 C2 1.37(2) . ?
C1 C6 1.37(2) . ?
C1 H1 0.9500 . ?
C2 C3 1.38(2) . ?
C2 C7 1.49(3) . ?
C3 C4 1.34(2) . ?
C3 H3 0.9500 . ?
C4 C5 1.40(2) . ?
C4 C8 1.51(2) . ?
C5 C6 1.42(2) . ?
C5 H5 0.9500 . ?
C6 S1 1.772(18) . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 C10 1.36(2) . ?
C9 C14 1.38(2) . ?
C9 S8 1.780(17) . ?
C10 C11 1.43(2) . ?
C10 H10 0.9500 . ?
C11 C12 1.35(3) . ?
C11 C15 1.50(3) . ?
C12 C13 1.41(2) . ?
C12 H12 0.9500 . ?
C13 C14 1.34(2) . ?
C13 C16 1.54(3) . ?
C14 H14 0.9500 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 C18 1.34(3) . ?
C17 C22 1.44(3) . ?
C17 S2 1.78(2) . ?
C18 C19 1.38(3) . ?
C18 H18 0.9500 . ?
C19 C20 1.38(3) . ?
C19 C23 1.51(3) . ?
C20 C21 1.40(3) . ?
C20 H20 0.9500 . ?
C21 C22 1.38(3) . ?
C21 C24 1.49(3) . ?
C22 H22 0.9500 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 C26 1.38(4) . ?
C25 C30 1.39(3) . ?
C25 S3 1.80(2) . ?
C26 C27 1.36(3) . ?
C26 H26 0.9500 . ?
C27 C28 1.40(4) . ?
C27 C31 1.54(4) . ?
C28 C29 1.42(4) . ?
C28 H28 0.9500 . ?
C29 C30 1.38(3) . ?
C29 C32 1.44(4) . ?
C30 H30 0.9500 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 C34 1.39(2) . ?
C33 C38 1.40(2) . ?
C33 H33 0.9500 . ?
C34 C35 1.34(3) . ?
C34 C39 1.48(3) . ?
C35 C36 1.43(3) . ?
C35 H35 0.9500 . ?
C36 C37 1.39(2) . ?
C36 C40 1.52(3) . ?
C37 C38 1.40(2) . ?
C37 H37 0.9500 . ?
C38 S4 1.785(17) . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 C46 1.31(3) . ?
C41 C42 1.40(3) . ?
C41 S7 1.80(3) . ?
C42 C43 1.40(3) . ?
C42 H42 0.9500 . ?
C43 C44 1.37(4) . ?
C43 C47 1.59(4) . ?
C44 C45 1.41(4) . ?
C44 H44 0.9500 . ?
C45 C46 1.32(3) . ?
C45 C48 1.55(4) . ?
C46 H46 0.9500 . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C49 C54 1.33(3) . ?
C49 C50 1.35(3) . ?
C49 S11 1.81(2) . ?
C50 C51 1.34(3) . ?
C50 H50 0.9500 . ?
C51 C52 1.32(3) . ?
C51 C55 1.501(10) . ?
C52 C53 1.35(3) . ?
C52 H52 0.9500 . ?
C53 C54 1.42(3) . ?
C53 C56 1.56(4) . ?
C54 H54 0.9500 . ?
C55 H55A 0.9800 . ?
C55 H55B 0.9800 . ?
C55 H55C 0.9800 . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C57 C58 1.3900 . ?
C57 C62 1.3900 . ?
C57 S10 1.779(13) . ?
C58 C59 1.3900 . ?
C58 H58 0.9500 . ?
C59 C60 1.3900 . ?
C59 C63 1.505(10) . ?
C60 C61 1.3900 . ?
C60 H60 0.9500 . ?
C61 C62 1.3900 . ?
C61 C64 1.497(10) . ?
C62 H62 0.9500 . ?
C63 H63A 0.9800 . ?
C63 H63B 0.9800 . ?
C63 H63C 0.9800 . ?
C64 H64A 0.9800 . ?
C64 H64B 0.9800 . ?
C64 H64C 0.9800 . ?
C65 C66 1.40(3) . ?
C65 C70 1.42(3) . ?
C65 S9 1.776(17) . ?
C66 C67 1.39(2) . ?
C66 H66 0.9500 . ?
C67 C68 1.44(3) . ?
C67 C71 1.45(3) . ?
C68 C69 1.38(3) . ?
C68 H68 0.9500 . ?
C69 C70 1.42(2) . ?
C69 C72 1.49(3) . ?
C70 H70 0.9500 . ?
C71 H71A 0.9800 . ?
C71 H71B 0.9800 . ?
C71 H71C 0.9800 . ?
C72 H72A 0.9800 . ?
C72 H72B 0.9800 . ?
C72 H72C 0.9800 . ?
C73 C74 1.39(3) . ?
C73 C78 1.45(4) . ?
C73 H73 0.9500 . ?
C74 C75 1.31(4) . ?
C74 C79 1.54(4) . ?
C75 C76 1.39(4) . ?
C75 H75 0.9500 . ?
C76 C77 1.40(3) . ?
C76 C80 1.54(4) . ?
C77 C78 1.33(4) . ?
C77 H77 0.9500 . ?
C78 S6 1.78(3) . ?
C79 H79A 0.9800 . ?
C79 H79B 0.9800 . ?
C79 H79C 0.9800 . ?
C80 H80A 0.9800 . ?
C80 H80B 0.9800 . ?
C80 H80C 0.9800 . ?
C81 C82 1.38(2) . ?
C81 C86 1.37(2) . ?
C81 H81 0.9500 . ?
C82 C83 1.37(2) . ?
C82 C87 1.51(3) . ?
C83 C84 1.39(2) . ?
C83 H83 0.9500 . ?
C84 C85 1.39(2) . ?
C84 C88 1.48(2) . ?
C85 C86 1.38(2) . ?
C85 H85 0.9500 . ?
C86 S12 1.799(16) . ?
C87 H87A 0.9800 . ?
C87 H87B 0.9800 . ?
C87 H87C 0.9800 . ?
C88 H88A 0.9800 . ?
C88 H88B 0.9800 . ?
C88 H88C 0.9800 . ?
C89 C94 1.37(3) . ?
C89 C90 1.38(3) . ?
C89 H89 0.9500 . ?
C90 C91 1.37(3) . ?
C90 C95 1.50(3) . ?
C91 C92 1.43(3) . ?
C91 H91 0.9500 . ?
C92 C93 1.40(3) . ?
C92 C96 1.54(3) . ?
C93 C94 1.37(3) . ?
C93 H93 0.9500 . ?
C94 S13 1.77(2) . ?
C95 H95A 0.9800 . ?
C95 H95B 0.9800 . ?
C95 H95C 0.9800 . ?
C96 H96A 0.9800 . ?
C96 H96B 0.9800 . ?
C96 H96C 0.9800 . ?
C97 C98 1.375(17) . ?
C97 C102 1.374(17) . ?
C97 S5 1.773(18) . ?
C98 C99 1.368(16) . ?
C98 H98 0.9500 . ?
C99 C100 1.379(17) . ?
C99 C103 1.50(4) . ?
C100 C101 1.385(17) . ?
C100 H100 0.9500 . ?
C101 C102 1.384(16) . ?
C101 C104 1.52(4) . ?
C102 H102 0.9500 . ?
C103 H10A 0.9800 . ?
C103 H10B 0.9800 . ?
C103 H10C 0.9800 . ?
C104 H10D 0.9800 . ?
C104 H10E 0.9800 . ?
C104 H10F 0.9800 . ?
C105 C110 1.41(3) . ?
C105 C106 1.42(3) . ?
C105 H105 0.9500 . ?
C106 C107 1.43(3) . ?
C106 C111 1.51(3) . ?
C107 C108 1.39(3) . ?
C107 H107 0.9500 . ?
C108 C109 1.45(3) . ?
C108 C112 1.45(3) . ?
C109 C110 1.40(3) . ?
C109 H109 0.9500 . ?
C110 S00 1.765(19) . ?
C111 H11A 0.9800 . ?
C111 H11B 0.9800 . ?
C111 H11C 0.9800 . ?
C112 H11D 0.9800 . ?
C112 H11E 0.9800 . ?
C112 H11F 0.9800 . ?

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
S2 Au1 S1 167.67(15) . . ?
S2 Au1 Au16 87.00(11) . 18_655 ?
S1 Au1 Au16 105.26(10) . 18_655 ?
S2 Au1 Au2 92.41(10) . . ?
S1 Au1 Au2 86.27(10) . . ?
Au16 Au1 Au2 102.36(2) 18_655 . ?
S2 Au1 Au12 90.24(11) . 18_655 ?
S1 Au1 Au12 98.38(9) . 18_655 ?
Au16 Au1 Au12 51.307(17) 18_655 18_655 ?
Au2 Au1 Au12 51.063(16) . 18_655 ?
S2 Au1 Au14 141.58(11) . 18_655 ?
S1 Au1 Au14 44.38(9) . 18_655 ?
Au16 Au1 Au14 82.12(2) 18_655 18_655 ?
Au2 Au1 Au14 54.814(17) . 18_655 ?
Au12 Au1 Au14 54.615(16) 18_655 18_655 ?
S8 Au2 Au6 133.69(10) . . ?
S8 Au2 Au12 155.79(10) . 18_655 ?
Au6 Au2 Au12 60.300(19) . 18_655 ?
S8 Au2 Au5 138.06(10) . . ?
Au6 Au2 Au5 60.060(17) . . ?
Au12 Au2 Au5 64.01(2) 18_655 . ?
S8 Au2 Au14 99.33(10) . 18_655 ?
Au6 Au2 Au14 125.05(2) . 18_655 ?
Au12 Au2 Au14 64.96(2) 18_655 18_655 ?
Au5 Au2 Au14 92.32(2) . 18_655 ?
S8 Au2 Au1 87.32(10) . . ?
Au6 Au2 Au1 96.45(2) . . ?
Au12 Au2 Au1 70.08(2) 18_655 . ?
Au5 Au2 Au1 134.08(3) . . ?
Au14 Au2 Au1 68.55(2) 18_655 . ?
S8 Au2 Au24 90.74(10) . 18_655 ?
Au6 Au2 Au24 124.53(2) . 18_655 ?
Au12 Au2 Au24 93.49(2) 18_655 18_655 ?
Au5 Au2 Au24 64.544(16) . 18_655 ?
Au14 Au2 Au24 53.514(18) 18_655 18_655 ?
Au1 Au2 Au24 120.84(2) . 18_655 ?
S8 Au2 Au4 73.67(10) . . ?
Au6 Au2 Au4 92.69(2) . . ?
Au12 Au2 Au4 129.56(2) 18_655 . ?
Au5 Au2 Au4 65.60(2) . . ?
Au14 Au2 Au4 119.48(2) 18_655 . ?
Au1 Au2 Au4 160.12(3) . . ?
Au24 Au2 Au4 66.339(16) 18_655 . ?
S8 Au3 S10 170.38(17) . 18_655 ?
S9 Au4 S9 174.97(18) . 18_655 ?
S9 Au4 Au2 84.07(10) . . ?
S9 Au4 Au2 98.99(9) 18_655 . ?
S9 Au4 Au2 98.99(9) . 18_655 ?
S9 Au4 Au2 84.06(10) 18_655 18_655 ?
Au2 Au4 Au2 105.95(3) . 18_655 ?
S9 Au4 Au5 92.52(9) . . ?
S9 Au4 Au5 92.52(9) 18_655 . ?
Au2 Au4 Au5 52.977(16) . . ?
Au2 Au4 Au5 52.977(16) 18_655 . ?
S9 Au4 Au24 139.34(10) . 18_655 ?
S9 Au4 Au24 44.69(9) 18_655 18_655 ?
Au2 Au4 Au24 56.571(17) . 18_655 ?
Au2 Au4 Au24 84.11(2) 18_655 18_655 ?
Au5 Au4 Au24 57.138(15) . 18_655 ?
S9 Au4 Au24 44.69(9) . . ?
S9 Au4 Au24 139.34(10) 18_655 . ?
Au2 Au4 Au24 84.11(2) . . ?
Au2 Au4 Au24 56.574(17) 18_655 . ?
Au5 Au4 Au24 57.140(15) . . ?
Au24 Au4 Au24 114.28(3) 18_655 . ?
Au6 Au5 Au6 179.50(4) . 18_655 ?
Au6 Au5 Au2 59.041(17) . . ?
Au6 Au5 Au2 120.68(2) 18_655 . ?
Au6 Au5 Au2 120.68(2) . 18_655 ?
Au6 Au5 Au2 59.039(17) 18_655 18_655 ?
Au2 Au5 Au2 122.86(3) . 18_655 ?
Au6 Au5 Au9 90.253(18) . . ?
Au6 Au5 Au9 90.247(18) 18_655 . ?
Au2 Au5 Au9 118.575(17) . . ?
Au2 Au5 Au9 118.568(17) 18_655 . ?
Au6 Au5 Au12 57.745(16) . 18_655 ?
Au6 Au5 Au12 122.54(2) 18_655 18_655 ?
Au2 Au5 Au12 57.429(15) . 18_655 ?
Au2 Au5 Au12 178.216(17) 18_655 18_655 ?
Au9 Au5 Au12 61.179(16) . 18_655 ?
Au6 Au5 Au12 122.55(2) . . ?
Au6 Au5 Au12 57.738(16) 18_655 . ?
Au2 Au5 Au12 178.215(17) . . ?
Au2 Au5 Au12 57.416(15) 18_655 . ?
Au9 Au5 Au12 61.185(16) . . ?
Au12 Au5 Au12 122.36(3) 18_655 . ?
Au6 Au5 Au11 62.401(16) . . ?
Au6 Au5 Au11 117.876(19) 18_655 . ?
Au2 Au5 Au11 121.442(16) . . ?
Au2 Au5 Au11 86.989(16) 18_655 . ?
Au9 Au5 Au11 60.633(16) . . ?
Au12 Au5 Au11 91.43(2) 18_655 . ?
Au12 Au5 Au11 60.152(17) . . ?
Au6 Au5 Au11 117.880(19) . 18_655 ?
Au6 Au5 Au11 62.398(16) 18_655 18_655 ?
Au2 Au5 Au11 86.993(15) . 18_655 ?
Au2 Au5 Au11 121.438(16) 18_655 18_655 ?
Au9 Au5 Au11 60.630(16) . 18_655 ?
Au12 Au5 Au11 60.149(17) 18_655 18_655 ?
Au12 Au5 Au11 91.43(2) . 18_655 ?
Au11 Au5 Au11 121.26(3) . 18_655 ?
Au6 Au5 Au24 120.747(19) . 18_655 ?
Au6 Au5 Au24 58.999(16) 18_655 18_655 ?
Au2 Au5 Au24 61.772(17) . 18_655 ?
Au2 Au5 Au24 93.16(2) 18_655 18_655 ?
Au9 Au5 Au24 115.899(15) . 18_655 ?
Au12 Au5 Au24 88.476(15) 18_655 18_655 ?
Au12 Au5 Au24 116.595(15) . 18_655 ?
Au11 Au5 Au24 175.88(2) . 18_655 ?
Au11 Au5 Au24 55.321(14) 18_655 18_655 ?
Au6 Au5 Au24 58.995(16) . . ?
Au6 Au5 Au24 120.750(19) 18_655 . ?
Au2 Au5 Au24 93.16(2) . . ?
Au2 Au5 Au24 61.776(18) 18_655 . ?
Au9 Au5 Au24 115.899(15) . . ?
Au12 Au5 Au24 116.598(15) 18_655 . ?
Au12 Au5 Au24 88.474(15) . . ?
Au11 Au5 Au24 55.319(14) . . ?
Au11 Au5 Au24 175.88(2) 18_655 . ?
Au24 Au5 Au24 128.20(3) 18_655 . ?
Au6 Au5 Au4 89.747(18) . . ?
Au6 Au5 Au4 89.753(18) 18_655 . ?
Au2 Au5 Au4 61.425(17) . . ?
Au2 Au5 Au4 61.432(17) 18_655 . ?
Au9 Au5 Au4 180.0 . . ?
Au12 Au5 Au4 118.821(16) 18_655 . ?
Au12 Au5 Au4 118.815(16) . . ?
Au11 Au5 Au4 119.367(16) . . ?
Au11 Au5 Au4 119.370(16) 18_655 . ?
Au24 Au5 Au4 64.101(15) 18_655 . ?
Au24 Au5 Au4 64.101(15) . . ?
S4 Au6 Au2 134.80(10) . . ?
S4 Au6 Au12 130.33(10) . 18_655 ?
Au2 Au6 Au12 60.163(19) . 18_655 ?
S4 Au6 Au5 160.74(10) . . ?
Au2 Au6 Au5 60.899(18) . . ?
Au12 Au6 Au5 64.259(18) 18_655 . ?
S4 Au6 Au24 96.82(10) . . ?
Au2 Au6 Au24 99.02(2) . . ?
Au12 Au6 Au24 130.73(3) 18_655 . ?
Au5 Au6 Au24 66.658(18) . . ?
S4 Au6 Au8 87.05(10) . . ?
Au2 Au6 Au8 124.48(2) . . ?
Au12 Au6 Au8 64.714(19) 18_655 . ?
Au5 Au6 Au8 90.09(2) . . ?
Au24 Au6 Au8 111.85(2) . . ?
S4 Au6 Au11 100.98(10) . . ?
Au2 Au6 Au11 123.18(2) . . ?
Au12 Au6 Au11 95.02(2) 18_655 . ?
Au5 Au6 Au11 62.281(17) . . ?
Au24 Au6 Au11 57.466(18) . . ?
Au8 Au6 Au11 55.084(18) . . ?
S4 Au6 Au7 64.98(10) . . ?
Au2 Au6 Au7 97.95(2) . . ?
Au12 Au6 Au7 66.00(2) 18_655 . ?
Au5 Au6 Au7 130.00(2) . . ?
Au24 Au6 Au7 161.04(3) . . ?
Au8 Au6 Au7 64.153(19) . . ?
Au11 Au6 Au7 118.37(2) . . ?
S2 Au7 S3 177.05(16) . . ?
S2 Au7 Au16 89.89(11) . 18_655 ?
S3 Au7 Au16 93.05(11) . 18_655 ?
S2 Au7 Au6 81.76(10) . . ?
S3 Au7 Au6 97.50(10) . . ?
Au16 Au7 Au6 100.30(2) 18_655 . ?
S2 Au7 Au12 90.39(10) . 18_655 ?
S3 Au7 Au12 91.27(10) . 18_655 ?
Au16 Au7 Au12 51.919(18) 18_655 18_655 ?
Au6 Au7 Au12 49.103(16) . 18_655 ?
S2 Au7 Au8 134.00(10) . . ?
S3 Au7 Au8 45.91(10) . . ?
Au16 Au7 Au8 89.59(2) 18_655 . ?
Au6 Au7 Au8 53.197(16) . . ?
Au12 Au7 Au8 54.823(17) 18_655 . ?
S3 Au8 Au17 131.76(10) . . ?
S3 Au8 Au11 154.52(11) . . ?
Au17 Au8 Au11 60.56(2) . . ?
S3 Au8 Au9 140.13(10) . . ?
Au17 Au8 Au9 60.119(19) . . ?
Au11 Au8 Au9 64.131(19) . . ?
S3 Au8 Au10 87.26(10) . . ?
Au17 Au8 Au10 97.09(2) . . ?
Au11 Au8 Au10 67.94(2) . . ?
Au9 Au8 Au10 132.06(3) . . ?
S3 Au8 Au6 104.35(10) . . ?
Au17 Au8 Au6 122.24(3) . . ?
Au11 Au8 Au6 62.493(19) . . ?
Au9 Au8 Au6 87.28(2) . . ?
Au10 Au8 Au6 69.56(2) . . ?
S3 Au8 Au12 95.85(10) . 18_655 ?
Au17 Au8 Au12 120.24(3) . 18_655 ?
Au11 Au8 Au12 92.96(2) . 18_655 ?
Au9 Au8 Au12 60.126(17) . 18_655 ?
Au10 Au8 Au12 122.66(2) . 18_655 ?
Au6 Au8 Au12 54.171(17) . 18_655 ?
S3 Au8 Au18 74.92(10) . 18_655 ?
Au17 Au8 Au18 100.11(2) . 18_655 ?
Au11 Au8 Au18 128.66(3) . 18_655 ?
Au9 Au8 Au18 65.218(18) . 18_655 ?
Au10 Au8 Au18 160.79(3) . 18_655 ?
Au6 Au8 Au18 107.54(2) . 18_655 ?
Au12 Au8 Au18 53.964(17) 18_655 18_655 ?
S3 Au8 Au7 43.45(10) . . ?
Au17 Au8 Au7 175.09(3) . . ?
Au11 Au8 Au7 124.16(2) . . ?
Au9 Au8 Au7 122.26(2) . . ?
Au10 Au8 Au7 84.18(2) . . ?
Au6 Au8 Au7 62.651(19) . . ?
Au12 Au8 Au7 62.348(18) 18_655 . ?
Au18 Au8 Au7 77.98(2) 18_655 . ?
Au17 Au9 Au17 121.89(4) . 18_655 ?
Au17 Au9 Au8 58.603(18) . . ?
Au17 Au9 Au8 119.62(2) 18_655 . ?
Au17 Au9 Au8 119.61(2) . 18_655 ?
Au17 Au9 Au8 58.598(18) 18_655 18_655 ?
Au8 Au9 Au8 176.83(4) . 18_655 ?
Au17 Au9 Au5 119.055(18) . . ?
Au17 Au9 Au5 119.057(18) 18_655 . ?
Au8 Au9 Au5 91.582(19) . . ?
Au8 Au9 Au5 91.589(19) 18_655 . ?
Au17 Au9 Au11 176.647(18) . 18_655 ?
Au17 Au9 Au11 57.673(16) 18_655 18_655 ?
Au8 Au9 Au11 124.71(2) . 18_655 ?
Au8 Au9 Au11 57.117(16) 18_655 18_655 ?
Au5 Au9 Au11 61.496(16) . 18_655 ?
Au17 Au9 Au11 57.674(16) . . ?
Au17 Au9 Au11 176.652(18) 18_655 . ?
Au8 Au9 Au11 57.111(16) . . ?
Au8 Au9 Au11 124.71(2) 18_655 . ?
Au5 Au9 Au11 61.494(16) . . ?
Au11 Au9 Au11 122.99(3) 18_655 . ?
Au17 Au9 Au12 123.078(17) . 18_655 ?
Au17 Au9 Au12 86.089(16) 18_655 18_655 ?
Au8 Au9 Au12 64.477(16) . 18_655 ?
Au8 Au9 Au12 117.267(19) 18_655 18_655 ?
Au5 Au9 Au12 60.555(16) . 18_655 ?
Au11 Au9 Au12 60.231(17) 18_655 18_655 ?
Au11 Au9 Au12 91.56(2) . 18_655 ?
Au17 Au9 Au12 86.085(16) . . ?
Au17 Au9 Au12 123.073(17) 18_655 . ?
Au8 Au9 Au12 117.260(19) . . ?
Au8 Au9 Au12 64.476(16) 18_655 . ?
Au5 Au9 Au12 60.555(16) . . ?
Au11 Au9 Au12 91.56(2) 18_655 . ?
Au11 Au9 Au12 60.231(17) . . ?
Au12 Au9 Au12 121.11(3) 18_655 . ?
Au17 Au9 Au19 60.945(18) . . ?
Au17 Au9 Au19 60.944(18) 18_655 . ?
Au8 Au9 Au19 88.418(19) . . ?
Au8 Au9 Au19 88.411(19) 18_655 . ?
Au5 Au9 Au19 180.0 . . ?
Au11 Au9 Au19 118.504(16) 18_655 . ?
Au11 Au9 Au19 118.506(16) . . ?
Au12 Au9 Au19 119.445(16) 18_655 . ?
Au12 Au9 Au19 119.445(16) . . ?
Au17 Au9 Au18 97.41(2) . 18_655 ?
Au17 Au9 Au18 57.612(18) 18_655 18_655 ?
Au8 Au9 Au18 62.494(17) . 18_655 ?
Au8 Au9 Au18 116.023(19) 18_655 18_655 ?
Au5 Au9 Au18 114.755(16) . 18_655 ?
Au11 Au9 Au18 85.074(15) 18_655 18_655 ?
Au11 Au9 Au18 119.047(16) . 18_655 ?
Au12 Au9 Au18 54.208(15) 18_655 18_655 ?
Au12 Au9 Au18 175.23(3) . 18_655 ?
Au19 Au9 Au18 65.246(16) . 18_655 ?
Au17 Au9 Au18 57.611(18) . . ?
Au17 Au9 Au18 97.41(2) 18_655 . ?
Au8 Au9 Au18 116.026(19) . . ?
Au8 Au9 Au18 62.484(17) 18_655 . ?
Au5 Au9 Au18 114.752(16) . . ?
Au11 Au9 Au18 119.043(16) 18_655 . ?
Au11 Au9 Au18 85.075(15) . . ?
Au12 Au9 Au18 175.23(3) 18_655 . ?
Au12 Au9 Au18 54.205(15) . . ?
Au19 Au9 Au18 65.248(16) . . ?
Au18 Au9 Au18 130.49(3) 18_655 . ?
S4 Au10 S7 168.29(14) . . ?
S4 Au10 Au13 100.77(10) . . ?
S7 Au10 Au13 89.32(11) . . ?
S4 Au10 Au8 88.89(10) . . ?
S7 Au10 Au8 94.09(12) . . ?
Au13 Au10 Au8 105.83(2) . . ?
S4 Au10 Au11 96.78(9) . . ?
S7 Au10 Au11 94.04(11) . . ?
Au13 Au10 Au11 52.971(18) . . ?
Au8 Au10 Au11 52.882(17) . . ?
Au13 Au11 Au8 116.96(3) . . ?
Au13 Au11 Au14 59.48(2) . . ?
Au8 Au11 Au14 176.33(3) . . ?
Au13 Au11 Au17 120.16(3) . . ?
Au8 Au11 Au17 59.28(2) . . ?
Au14 Au11 Au17 121.11(3) . . ?
Au13 Au11 Au24 59.19(2) . . ?
Au8 Au11 Au24 121.72(3) . . ?
Au14 Au11 Au24 57.869(19) . . ?
Au17 Au11 Au24 178.92(3) . . ?
Au13 Au11 Au9 175.69(3) . . ?
Au8 Au11 Au9 58.759(17) . . ?
Au14 Au11 Au9 124.79(2) . . ?
Au17 Au11 Au9 57.92(2) . . ?
Au24 Au11 Au9 122.80(3) . . ?
Au13 Au11 Au12 124.30(2) . . ?
Au8 Au11 Au12 118.62(2) . . ?
Au14 Au11 Au12 64.89(2) . . ?
Au17 Au11 Au12 86.05(2) . . ?
Au24 Au11 Au12 93.68(2) . . ?
Au9 Au11 Au12 59.942(15) . . ?
Au13 Au11 Au5 124.15(3) . . ?
Au8 Au11 Au5 90.32(2) . . ?
Au14 Au11 Au5 92.60(2) . . ?
Au17 Au11 Au5 115.69(3) . . ?
Au24 Au11 Au5 64.99(2) . . ?
Au9 Au11 Au5 57.87(2) . . ?
Au12 Au11 Au5 59.266(15) . . ?
Au13 Au11 Au6 93.70(2) . . ?
Au8 Au11 Au6 62.423(19) . . ?
Au14 Au11 Au6 117.71(2) . . ?
Au17 Au11 Au6 120.91(2) . . ?
Au24 Au11 Au6 60.147(19) . . ?
Au9 Au11 Au6 84.621(19) . . ?
Au12 Au11 Au6 114.58(2) . . ?
Au5 Au11 Au6 55.318(15) . . ?
Au13 Au11 Au20 92.21(2) . . ?
Au8 Au11 Au20 121.72(2) . . ?
Au14 Au11 Au20 58.849(19) . . ?
Au17 Au11 Au20 62.45(2) . . ?
Au24 Au11 Au20 116.56(2) . . ?
Au9 Au11 Au20 90.041(19) . . ?
Au12 Au11 Au20 55.201(17) . . ?
Au5 Au11 Au20 114.44(2) . . ?
Au6 Au11 Au20 169.73(3) . . ?
Au13 Au11 Au10 57.804(19) . . ?
Au8 Au11 Au10 59.178(19) . . ?
Au14 Au11 Au10 117.28(2) . . ?
Au17 Au11 Au10 91.15(2) . . ?
Au24 Au11 Au10 89.14(2) . . ?
Au9 Au11 Au10 117.93(2) . . ?
Au12 Au11 Au10 177.13(2) . . ?
Au5 Au11 Au10 121.71(2) . . ?
Au6 Au11 Au10 66.429(19) . . ?
Au20 Au11 Au10 123.83(2) . . ?
Au16 Au12 Au2 115.61(3) . 18_655 ?
Au16 Au12 Au6 118.25(3) . 18_655 ?
Au2 Au12 Au6 59.546(19) 18_655 18_655 ?
Au16 Au12 Au20 58.43(2) . . ?
Au2 Au12 Au20 118.64(3) 18_655 . ?
Au6 Au12 Au20 175.70(3) 18_655 . ?
Au16 Au12 Au18 59.99(2) . . ?
Au2 Au12 Au18 174.72(3) 18_655 . ?
Au6 Au12 Au18 124.55(3) 18_655 . ?
Au20 Au12 Au18 57.01(2) . . ?
Au16 Au12 Au5 173.90(3) . . ?
Au2 Au12 Au5 58.570(19) 18_655 . ?
Au6 Au12 Au5 57.999(16) 18_655 . ?
Au20 Au12 Au5 125.04(2) . . ?
Au18 Au12 Au5 125.92(3) . . ?
Au16 Au12 Au9 127.59(3) . . ?
Au2 Au12 Au9 116.80(2) 18_655 . ?
Au6 Au12 Au9 88.62(2) 18_655 . ?
Au20 Au12 Au9 95.63(2) . . ?
Au18 Au12 Au9 67.67(2) . . ?
Au5 Au12 Au9 58.26(2) . . ?
Au16 Au12 Au11 122.80(2) . . ?
Au2 Au12 Au11 87.88(2) 18_655 . ?
Au6 Au12 Au11 118.56(2) 18_655 . ?
Au20 Au12 Au11 64.491(19) . . ?
Au18 Au12 Au11 92.37(2) . . ?
Au5 Au12 Au11 60.581(15) . . ?
Au9 Au12 Au11 59.828(15) . . ?
Au16 Au12 Au8 97.18(2) . 18_655 ?
Au2 Au12 Au8 120.29(2) 18_655 18_655 ?
Au6 Au12 Au8 61.114(19) 18_655 18_655 ?
Au20 Au12 Au8 121.02(2) . 18_655 ?
Au18 Au12 Au8 64.27(2) . 18_655 ?
Au5 Au12 Au8 85.101(19) . 18_655 ?
Au9 Au12 Au8 55.392(15) . 18_655 ?
Au11 Au12 Au8 115.22(2) . 18_655 ?
Au16 Au12 Au14 91.14(2) . . ?
Au2 Au12 Au14 60.843(19) 18_655 . ?
Au6 Au12 Au14 120.19(2) 18_655 . ?
Au20 Au12 Au14 58.516(19) . . ?
Au18 Au12 Au14 115.25(2) . . ?
Au5 Au12 Au14 87.279(18) . . ?
Au9 Au12 Au14 114.17(2) . . ?
Au11 Au12 Au14 54.375(17) . . ?
Au8 Au12 Au14 169.41(2) 18_655 . ?
Au16 Au12 Au1 56.762(19) . 18_655 ?
Au2 Au12 Au1 58.857(18) 18_655 18_655 ?
Au6 Au12 Au1 89.54(2) 18_655 18_655 ?
Au20 Au12 Au1 86.27(2) . 18_655 ?
Au18 Au12 Au1 116.62(2) . 18_655 ?
Au5 Au12 Au1 117.42(2) . 18_655 ?
Au9 Au12 Au1 175.57(3) . 18_655 ?
Au11 Au12 Au1 117.84(2) . 18_655 ?
Au8 Au12 Au1 126.77(2) 18_655 18_655 ?
Au14 Au12 Au1 63.496(18) . 18_655 ?
Au16 Au12 Au7 54.351(19) . 18_655 ?
Au2 Au12 Au7 96.93(2) 18_655 18_655 ?
Au6 Au12 Au7 64.896(19) 18_655 18_655 ?
Au20 Au12 Au7 112.26(2) . 18_655 ?
Au18 Au12 Au7 82.78(2) . 18_655 ?
Au5 Au12 Au7 122.68(2) . 18_655 ?
Au9 Au12 Au7 118.03(2) . 18_655 ?
Au11 Au12 Au7 175.15(2) . 18_655 ?
Au8 Au12 Au7 62.827(18) 18_655 18_655 ?
Au14 Au12 Au7 127.71(2) . 18_655 ?
Au1 Au12 Au7 64.619(18) 18_655 18_655 ?
S11 Au13 Au14 135.14(13) . . ?
S11 Au13 Au11 163.77(13) . . ?
Au14 Au13 Au11 60.77(2) . . ?
S11 Au13 Au24 119.69(13) . . ?
Au14 Au13 Au24 59.26(2) . . ?
Au11 Au13 Au24 62.24(2) . . ?
S11 Au13 Au10 94.76(13) . . ?
Au14 Au13 Au10 129.99(3) . . ?
Au11 Au13 Au10 69.23(2) . . ?
Au24 Au13 Au10 97.38(2) . . ?
S11 Au13 Au23 105.23(13) . . ?
Au14 Au13 Au23 91.60(2) . . ?
Au11 Au13 Au23 73.86(2) . . ?
Au24 Au13 Au23 134.98(3) . . ?
Au10 Au13 Au23 74.79(2) . . ?
S11 Au13 Au15 48.95(13) . . ?
Au14 Au13 Au15 89.83(3) . . ?
Au11 Au13 Au15 142.13(3) . . ?
Au24 Au13 Au15 82.83(2) . . ?
Au10 Au13 Au15 133.71(3) . . ?
Au23 Au13 Au15 134.51(3) . . ?
S1 Au14 Au24 127.47(10) 18_655 . ?
S1 Au14 Au13 134.47(10) 18_655 . ?
Au24 Au14 Au13 60.84(2) . . ?
S1 Au14 Au11 164.24(10) 18_655 . ?
Au24 Au14 Au11 62.43(2) . . ?
Au13 Au14 Au11 59.75(2) . . ?
S1 Au14 Au20 101.98(10) 18_655 . ?
Au24 Au14 Au20 128.31(3) . . ?
Au13 Au14 Au20 96.81(2) . . ?
Au11 Au14 Au20 66.08(2) . . ?
S1 Au14 Au2 86.87(10) 18_655 18_655 ?
Au24 Au14 Au2 64.83(2) . 18_655 ?
Au13 Au14 Au2 124.86(3) . 18_655 ?
Au11 Au14 Au2 87.71(2) . 18_655 ?
Au20 Au14 Au2 109.56(2) . 18_655 ?
S1 Au14 Au12 104.37(10) 18_655 . ?
Au24 Au14 Au12 93.79(2) . . ?
Au13 Au14 Au12 120.43(2) . . ?
Au11 Au14 Au12 60.738(19) . . ?
Au20 Au14 Au12 55.975(18) . . ?
Au2 Au14 Au12 54.188(17) 18_655 . ?
S1 Au14 Au1 43.15(10) 18_655 18_655 ?
Au24 Au14 Au1 120.23(2) . 18_655 ?
Au13 Au14 Au1 177.62(3) . 18_655 ?
Au11 Au14 Au1 122.59(2) . 18_655 ?
Au20 Au14 Au1 84.10(2) . 18_655 ?
Au2 Au14 Au1 56.628(18) 18_655 18_655 ?
Au12 Au14 Au1 61.887(18) . 18_655 ?
S10 Au15 S11 173.94(17) . . ?
S10 Au15 Au13 134.06(12) . . ?
S11 Au15 Au13 51.59(11) . . ?
S00 Au16 Au20 123.35(11) . . ?
S00 Au16 Au12 163.97(12) . . ?
Au20 Au16 Au12 62.07(2) . . ?
S00 Au16 Au18 134.40(11) . . ?
Au20 Au16 Au18 58.64(2) . . ?
Au12 Au16 Au18 61.62(2) . . ?
S00 Au16 Au7 101.53(11) . 18_655 ?
Au20 Au16 Au7 134.97(3) . 18_655 ?
Au12 Au16 Au7 73.73(2) . 18_655 ?
Au18 Au16 Au7 93.77(3) . 18_655 ?
S00 Au16 Au22 50.50(11) . . ?
Au20 Au16 Au22 90.97(3) . . ?
Au12 Au16 Au22 144.70(3) . . ?
Au18 Au16 Au22 85.44(3) . . ?
Au7 Au16 Au22 124.11(3) 18_655 . ?
S00 Au16 Au1 92.13(11) . 18_655 ?
Au20 Au16 Au1 96.68(2) . 18_655 ?
Au12 Au16 Au1 71.93(2) . 18_655 ?
Au18 Au16 Au1 133.36(3) . 18_655 ?
Au7 Au16 Au1 76.50(2) 18_655 18_655 ?
Au22 Au16 Au1 137.75(3) . 18_655 ?
S6 Au17 Au8 135.56(12) . . ?
S6 Au17 Au11 130.38(12) . . ?
Au8 Au17 Au11 60.16(2) . . ?
S6 Au17 Au9 159.82(12) . . ?
Au8 Au17 Au9 61.278(18) . . ?
Au11 Au17 Au9 64.41(2) . . ?
S6 Au17 Au18 94.22(12) . . ?
Au8 Au17 Au18 129.93(3) . . ?
Au11 Au17 Au18 94.65(2) . . ?
Au9 Au17 Au18 68.903(19) . . ?
S6 Au17 Au19 100.47(11) . . ?
Au8 Au17 Au19 91.64(2) . . ?
Au11 Au17 Au19 128.39(3) . . ?
Au9 Au17 Au19 64.12(2) . . ?
Au18 Au17 Au19 70.282(19) . . ?
S6 Au17 Au20 83.53(12) . . ?
Au8 Au17 Au20 123.99(3) . . ?
Au11 Au17 Au20 63.83(2) . . ?
Au9 Au17 Au20 94.30(2) . . ?
Au18 Au17 Au20 53.525(19) . . ?
Au19 Au17 Au20 123.79(2) . . ?
S6 Au17 Au23 64.81(11) . . ?
Au8 Au17 Au23 97.12(2) . . ?
Au11 Au17 Au23 66.64(2) . . ?
Au9 Au17 Au23 130.90(3) . . ?
Au18 Au17 Au23 112.13(2) . . ?
Au19 Au17 Au23 164.97(3) . . ?
Au20 Au17 Au23 60.135(19) . . ?
S5 Au18 Au20 157.71(13) . . ?
S5 Au18 Au16 139.53(14) . . ?
Au20 Au18 Au16 59.25(2) . . ?
S5 Au18 Au12 134.44(11) . . ?
Au20 Au18 Au12 61.10(2) . . ?
Au16 Au18 Au12 58.39(2) . . ?
S5 Au18 Au17 96.76(14) . . ?
Au20 Au18 Au17 65.68(2) . . ?
Au16 Au18 Au17 123.68(3) . . ?
Au12 Au18 Au17 85.98(2) . . ?
S5 Au18 Au21 90.06(11) . . ?
Au20 Au18 Au21 72.31(2) . . ?
Au16 Au18 Au21 99.34(3) . . ?
Au12 Au18 Au21 133.39(3) . . ?
Au17 Au18 Au21 73.52(2) . . ?
S5 Au18 Au8 73.85(11) . 18_655 ?
Au20 Au18 Au8 122.60(3) . 18_655 ?
Au16 Au18 Au8 94.65(2) . 18_655 ?
Au12 Au18 Au8 61.766(19) . 18_655 ?
Au17 Au18 Au8 105.40(2) . 18_655 ?
Au21 Au18 Au8 163.72(3) . 18_655 ?
S5 Au18 Au9 87.37(13) . . ?
Au20 Au18 Au9 92.12(2) . . ?
Au16 Au18 Au9 116.45(2) . . ?
Au12 Au18 Au9 58.122(19) . . ?
Au17 Au18 Au9 53.486(16) . . ?
Au21 Au18 Au9 126.12(3) . . ?
Au8 Au18 Au9 52.290(15) 18_655 . ?
S5 Au19 S5 174.0(2) 18_655 . ?
S5 Au19 Au17 86.23(12) 18_655 . ?
S5 Au19 Au17 97.24(11) . . ?
S5 Au19 Au17 97.25(11) 18_655 18_655 ?
S5 Au19 Au17 86.22(12) . 18_655 ?
Au17 Au19 Au17 109.88(4) . 18_655 ?
S5 Au19 Au9 93.01(11) 18_655 . ?
S5 Au19 Au9 93.01(11) . . ?
Au17 Au19 Au9 54.935(18) . . ?
Au17 Au19 Au9 54.940(18) 18_655 . ?
S12 Au20 Au18 152.73(10) . . ?
S12 Au20 Au16 127.61(10) . . ?
Au18 Au20 Au16 62.11(2) . . ?
S12 Au20 Au12 145.07(10) . . ?
Au18 Au20 Au12 61.89(2) . . ?
Au16 Au20 Au12 59.50(2) . . ?
S12 Au20 Au14 79.56(9) . . ?
Au18 Au20 Au14 127.05(3) . . ?
Au16 Au20 Au14 96.10(2) . . ?
Au12 Au20 Au14 65.51(2) . . ?
S12 Au20 Au17 108.71(10) . . ?
Au18 Au20 Au17 60.80(2) . . ?
Au16 Au20 Au17 121.71(3) . . ?
Au12 Au20 Au17 83.95(2) . . ?
Au14 Au20 Au17 108.64(2) . . ?
S12 Au20 Au11 100.36(9) . . ?
Au18 Au20 Au11 92.63(2) . . ?
Au16 Au20 Au11 119.70(2) . . ?
Au12 Au20 Au11 60.308(19) . . ?
Au14 Au20 Au11 55.067(18) . . ?
Au17 Au20 Au11 53.721(18) . . ?
S12 Au20 Au23 45.46(10) . . ?
Au18 Au20 Au23 123.74(3) . . ?
Au16 Au20 Au23 173.07(3) . . ?
Au12 Au20 Au23 125.63(3) . . ?
Au14 Au20 Au23 83.03(2) . . ?
Au17 Au20 Au23 64.88(2) . . ?
Au11 Au20 Au23 65.347(19) . . ?
S6 Au21 S13 172.56(17) . . ?
S6 Au21 Au18 91.07(11) . . ?
S13 Au21 Au18 95.12(12) . . ?
S13 Au22 S00 171.26(17) . . ?
S13 Au22 Au16 123.88(13) . . ?
S00 Au22 Au16 53.92(10) . . ?
S7 Au23 S12 176.02(16) . . ?
S7 Au23 Au13 89.18(11) . . ?
S12 Au23 Au13 89.77(10) . . ?
S7 Au23 Au20 136.74(12) . . ?
S12 Au23 Au20 46.96(9) . . ?
Au13 Au23 Au20 85.98(2) . . ?
S7 Au23 Au17 83.45(12) . . ?
S12 Au23 Au17 100.50(10) . . ?
Au13 Au23 Au17 98.36(2) . . ?
Au20 Au23 Au17 54.984(18) . . ?
S9 Au24 Au14 151.53(10) . . ?
S9 Au24 Au13 139.11(10) . . ?
Au14 Au24 Au13 59.90(2) . . ?
S9 Au24 Au11 143.54(10) . . ?
Au14 Au24 Au11 59.70(2) . . ?
Au13 Au24 Au11 58.57(2) . . ?
S9 Au24 Au6 82.36(10) . . ?
Au14 Au24 Au6 121.76(3) . . ?
Au13 Au24 Au6 94.74(2) . . ?
Au11 Au24 Au6 62.387(19) . . ?
S9 Au24 Au2 98.48(10) . 18_655 ?
Au14 Au24 Au2 61.66(2) . 18_655 ?
Au13 Au24 Au2 120.82(2) . 18_655 ?
Au11 Au24 Au2 84.78(2) . 18_655 ?
Au6 Au24 Au2 107.96(2) . 18_655 ?
S9 Au24 Au5 93.08(9) . . ?
Au14 Au24 Au5 90.46(2) . . ?
Au13 Au24 Au5 118.25(2) . . ?
Au11 Au24 Au5 59.695(19) . . ?
Au6 Au24 Au5 54.348(15) . . ?
Au2 Au24 Au5 53.684(14) 18_655 . ?
S9 Au24 Au4 43.63(10) . . ?
Au14 Au24 Au4 118.38(2) . . ?
Au13 Au24 Au4 176.89(3) . . ?
Au11 Au24 Au4 118.40(2) . . ?
Au6 Au24 Au4 84.057(19) . . ?
Au2 Au24 Au4 57.094(15) 18_655 . ?
Au5 Au24 Au4 58.760(19) . . ?
C2 C1 C6 121.0(18) . . ?
C2 C1 H1 119.5 . . ?
C6 C1 H1 119.5 . . ?
C1 C2 C3 119.3(19) . . ?
C1 C2 C7 118.8(18) . . ?
C3 C2 C7 121.7(18) . . ?
C4 C3 C2 121.8(18) . . ?
C4 C3 H3 119.1 . . ?
C2 C3 H3 119.1 . . ?
C3 C4 C5 120.1(18) . . ?
C3 C4 C8 122.1(18) . . ?
C5 C4 C8 117.9(18) . . ?
C4 C5 C6 118.4(18) . . ?
C4 C5 H5 120.8 . . ?
C6 C5 H5 120.8 . . ?
C1 C6 C5 119.2(17) . . ?
C1 C6 S1 119.4(14) . . ?
C5 C6 S1 120.3(14) . . ?
C2 C7 H7A 109.5 . . ?
C2 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C2 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C4 C8 H8A 109.5 . . ?
C4 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C4 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C10 C9 C14 118.4(16) . . ?
C10 C9 S8 122.1(14) . . ?
C14 C9 S8 119.4(14) . . ?
C9 C10 C11 120.1(17) . . ?
C9 C10 H10 119.9 . . ?
C11 C10 H10 119.9 . . ?
C12 C11 C10 119.5(18) . . ?
C12 C11 C15 120.6(17) . . ?
C10 C11 C15 119.9(18) . . ?
C11 C12 C13 119.6(17) . . ?
C11 C12 H12 120.2 . . ?
C13 C12 H12 120.2 . . ?
C14 C13 C12 119.5(18) . . ?
C14 C13 C16 121.4(18) . . ?
C12 C13 C16 118.9(16) . . ?
C13 C14 C9 122.7(18) . . ?
C13 C14 H14 118.7 . . ?
C9 C14 H14 118.7 . . ?
C11 C15 H15A 109.5 . . ?
C11 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C11 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C13 C16 H16A 109.5 . . ?
C13 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C13 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C18 C17 C22 121(2) . . ?
C18 C17 S2 122.5(18) . . ?
C22 C17 S2 116.3(17) . . ?
C17 C18 C19 121(2) . . ?
C17 C18 H18 119.7 . . ?
C19 C18 H18 119.7 . . ?
C20 C19 C18 118(2) . . ?
C20 C19 C23 123(2) . . ?
C18 C19 C23 119(2) . . ?
C19 C20 C21 124(2) . . ?
C19 C20 H20 118.2 . . ?
C21 C20 H20 118.2 . . ?
C22 C21 C20 117(2) . . ?
C22 C21 C24 119(2) . . ?
C20 C21 C24 124(2) . . ?
C21 C22 C17 119(2) . . ?
C21 C22 H22 120.6 . . ?
C17 C22 H22 120.6 . . ?
C19 C23 H23A 109.5 . . ?
C19 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C19 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C21 C24 H24A 109.5 . . ?
C21 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C21 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C26 C25 C30 120(2) . . ?
C26 C25 S3 122(2) . . ?
C30 C25 S3 117(2) . . ?
C27 C26 C25 125(3) . . ?
C27 C26 H26 117.7 . . ?
C25 C26 H26 117.7 . . ?
C26 C27 C28 114(3) . . ?
C26 C27 C31 122(3) . . ?
C28 C27 C31 124(2) . . ?
C29 C28 C27 123(3) . . ?
C29 C28 H28 118.4 . . ?
C27 C28 H28 118.4 . . ?
C30 C29 C28 119(3) . . ?
C30 C29 C32 122(3) . . ?
C28 C29 C32 119(3) . . ?
C29 C30 C25 118(3) . . ?
C29 C30 H30 120.9 . . ?
C25 C30 H30 120.9 . . ?
C27 C31 H31A 109.5 . . ?
C27 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C27 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C29 C32 H32A 109.5 . . ?
C29 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C29 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C34 C33 C38 118.4(18) . . ?
C34 C33 H33 120.8 . . ?
C38 C33 H33 120.8 . . ?
C35 C34 C33 121.4(18) . . ?
C35 C34 C39 120.8(18) . . ?
C33 C34 C39 117.7(19) . . ?
C34 C35 C36 121.8(18) . . ?
C34 C35 H35 119.1 . . ?
C36 C35 H35 119.1 . . ?
C37 C36 C35 117.2(17) . . ?
C37 C36 C40 122.1(18) . . ?
C35 C36 C40 120.5(17) . . ?
C38 C37 C36 120.6(17) . . ?
C38 C37 H37 119.7 . . ?
C36 C37 H37 119.7 . . ?
C37 C38 C33 120.5(16) . . ?
C37 C38 S4 117.2(14) . . ?
C33 C38 S4 121.5(14) . . ?
C34 C39 H39A 109.5 . . ?
C34 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C34 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C36 C40 H40A 109.5 . . ?
C36 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C36 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C46 C41 C42 119(2) . . ?
C46 C41 S7 121(2) . . ?
C42 C41 S7 119(2) . . ?
C43 C42 C41 120(3) . . ?
C43 C42 H42 120.0 . . ?
C41 C42 H42 120.0 . . ?
C42 C43 C44 116(3) . . ?
C42 C43 C47 118(2) . . ?
C44 C43 C47 126(2) . . ?
C45 C44 C43 123(3) . . ?
C45 C44 H44 118.5 . . ?
C43 C44 H44 118.5 . . ?
C46 C45 C44 115(3) . . ?
C46 C45 C48 128(3) . . ?
C44 C45 C48 116(3) . . ?
C41 C46 C45 126(3) . . ?
C41 C46 H46 117.1 . . ?
C45 C46 H46 117.1 . . ?
C43 C47 H47A 109.5 . . ?
C43 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
C43 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C45 C48 H48A 109.5 . . ?
C45 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
C45 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C54 C49 C50 119(2) . . ?
C54 C49 S11 123.5(19) . . ?
C50 C49 S11 118(2) . . ?
C49 C50 C51 124(3) . . ?
C49 C50 H50 118.1 . . ?
C51 C50 H50 118.1 . . ?
C52 C51 C50 117(2) . . ?
C52 C51 C55 127(3) . . ?
C50 C51 C55 115(3) . . ?
C51 C52 C53 124(3) . . ?
C51 C52 H52 118.1 . . ?
C53 C52 H52 118.1 . . ?
C52 C53 C54 117(3) . . ?
C52 C53 C56 127(2) . . ?
C54 C53 C56 117(2) . . ?
C49 C54 C53 120(3) . . ?
C49 C54 H54 120.1 . . ?
C53 C54 H54 120.1 . . ?
C51 C55 H55A 109.5 . . ?
C51 C55 H55B 109.5 . . ?
H55A C55 H55B 109.5 . . ?
C51 C55 H55C 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
C53 C56 H56A 109.5 . . ?
C53 C56 H56B 109.5 . . ?
H56A C56 H56B 109.5 . . ?
C53 C56 H56C 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C58 C57 C62 120.0 . . ?
C58 C57 S10 118.6(11) . . ?
C62 C57 S10 121.0(11) . . ?
C59 C58 C57 120.0 . . ?
C59 C58 H58 120.0 . . ?
C57 C58 H58 120.0 . . ?
C58 C59 C60 120.0 . . ?
C58 C59 C63 114.2(18) . . ?
C60 C59 C63 125.8(18) . . ?
C59 C60 C61 120.0 . . ?
C59 C60 H60 120.0 . . ?
C61 C60 H60 120.0 . . ?
C62 C61 C60 120.0 . . ?
C62 C61 C64 123.6(15) . . ?
C60 C61 C64 116.4(15) . . ?
C61 C62 C57 120.0 . . ?
C61 C62 H62 120.0 . . ?
C57 C62 H62 120.0 . . ?
C59 C63 H63A 109.5 . . ?
C59 C63 H63B 109.5 . . ?
H63A C63 H63B 109.5 . . ?
C59 C63 H63C 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
C61 C64 H64A 109.5 . . ?
C61 C64 H64B 109.5 . . ?
H64A C64 H64B 109.5 . . ?
C61 C64 H64C 109.5 . . ?
H64A C64 H64C 109.5 . . ?
H64B C64 H64C 109.5 . . ?
C66 C65 C70 123.4(17) . . ?
C66 C65 S9 117.2(14) . . ?
C70 C65 S9 119.3(15) . . ?
C67 C66 C65 119.3(19) . . ?
C67 C66 H66 120.3 . . ?
C65 C66 H66 120.3 . . ?
C66 C67 C68 116.6(18) . . ?
C66 C67 C71 121(2) . . ?
C68 C67 C71 121.9(18) . . ?
C69 C68 C67 124.8(18) . . ?
C69 C68 H68 117.6 . . ?
C67 C68 H68 117.6 . . ?
C68 C69 C70 117.5(19) . . ?
C68 C69 C72 121.6(18) . . ?
C70 C69 C72 120.8(19) . . ?
C65 C70 C69 118.1(18) . . ?
C65 C70 H70 121.0 . . ?
C69 C70 H70 121.0 . . ?
C67 C71 H71A 109.5 . . ?
C67 C71 H71B 109.5 . . ?
H71A C71 H71B 109.5 . . ?
C67 C71 H71C 109.5 . . ?
H71A C71 H71C 109.5 . . ?
H71B C71 H71C 109.5 . . ?
C69 C72 H72A 109.5 . . ?
C69 C72 H72B 109.5 . . ?
H72A C72 H72B 109.5 . . ?
C69 C72 H72C 109.5 . . ?
H72A C72 H72C 109.5 . . ?
H72B C72 H72C 109.5 . . ?
C74 C73 C78 114(3) . . ?
C74 C73 H73 122.8 . . ?
C78 C73 H73 122.8 . . ?
C75 C74 C73 123(3) . . ?
C75 C74 C79 118(3) . . ?
C73 C74 C79 118(3) . . ?
C74 C75 C76 122(3) . . ?
C74 C75 H75 119.2 . . ?
C76 C75 H75 119.2 . . ?
C77 C76 C75 118(3) . . ?
C77 C76 C80 121(3) . . ?
C75 C76 C80 121(3) . . ?
C78 C77 C76 120(3) . . ?
C78 C77 H77 120.0 . . ?
C76 C77 H77 120.0 . . ?
C77 C78 C73 122(3) . . ?
C77 C78 S6 122(3) . . ?
C73 C78 S6 115(2) . . ?
C74 C79 H79A 109.5 . . ?
C74 C79 H79B 109.5 . . ?
H79A C79 H79B 109.5 . . ?
C74 C79 H79C 109.5 . . ?
H79A C79 H79C 109.5 . . ?
H79B C79 H79C 109.5 . . ?
C76 C80 H80A 109.5 . . ?
C76 C80 H80B 109.5 . . ?
H80A C80 H80B 109.5 . . ?
C76 C80 H80C 109.5 . . ?
H80A C80 H80C 109.5 . . ?
H80B C80 H80C 109.5 . . ?
C82 C81 C86 120.9(18) . . ?
C82 C81 H81 119.5 . . ?
C86 C81 H81 119.5 . . ?
C81 C82 C83 117.9(18) . . ?
C81 C82 C87 118.8(17) . . ?
C83 C82 C87 123.3(17) . . ?
C82 C83 C84 122.1(17) . . ?
C82 C83 H83 119.0 . . ?
C84 C83 H83 119.0 . . ?
C83 C84 C85 119.1(17) . . ?
C83 C84 C88 123.5(16) . . ?
C85 C84 C88 117.4(18) . . ?
C86 C85 C84 118.9(18) . . ?
C86 C85 H85 120.6 . . ?
C84 C85 H85 120.6 . . ?
C81 C86 C85 121.1(16) . . ?
C81 C86 S12 115.6(13) . . ?
C85 C86 S12 123.2(14) . . ?
C82 C87 H87A 109.5 . . ?
C82 C87 H87B 109.5 . . ?
H87A C87 H87B 109.5 . . ?
C82 C87 H87C 109.5 . . ?
H87A C87 H87C 109.5 . . ?
H87B C87 H87C 109.5 . . ?
C84 C88 H88A 109.5 . . ?
C84 C88 H88B 109.5 . . ?
H88A C88 H88B 109.5 . . ?
C84 C88 H88C 109.5 . . ?
H88A C88 H88C 109.5 . . ?
H88B C88 H88C 109.5 . . ?
C94 C89 C90 126(2) . . ?
C94 C89 H89 117.2 . . ?
C90 C89 H89 117.2 . . ?
C91 C90 C89 116(2) . . ?
C91 C90 C95 116(2) . . ?
C89 C90 C95 127(2) . . ?
C90 C91 C92 122(2) . . ?
C90 C91 H91 119.0 . . ?
C92 C91 H91 119.0 . . ?
C93 C92 C91 117(2) . . ?
C93 C92 C96 118(2) . . ?
C91 C92 C96 126(2) . . ?
C94 C93 C92 122(2) . . ?
C94 C93 H93 118.8 . . ?
C92 C93 H93 118.8 . . ?
C89 C94 C93 117(2) . . ?
C89 C94 S13 122.8(17) . . ?
C93 C94 S13 120(2) . . ?
C90 C95 H95A 109.5 . . ?
C90 C95 H95B 109.5 . . ?
H95A C95 H95B 109.5 . . ?
C90 C95 H95C 109.5 . . ?
H95A C95 H95C 109.5 . . ?
H95B C95 H95C 109.5 . . ?
C92 C96 H96A 109.5 . . ?
C92 C96 H96B 109.5 . . ?
H96A C96 H96B 109.5 . . ?
C92 C96 H96C 109.5 . . ?
H96A C96 H96C 109.5 . . ?
H96B C96 H96C 109.5 . . ?
C98 C97 C102 120.7(17) . . ?
C98 C97 S5 117.8(16) . . ?
C102 C97 S5 121.5(16) . . ?
C99 C98 C97 118.5(19) . . ?
C99 C98 H98 120.7 . . ?
C97 C98 H98 120.7 . . ?
C100 C99 C98 122(2) . . ?
C100 C99 C103 125(2) . . ?
C98 C99 C103 113(2) . . ?
C99 C100 C101 119.0(18) . . ?
C99 C100 H100 120.5 . . ?
C101 C100 H100 120.5 . . ?
C102 C101 C100 119.3(19) . . ?
C102 C101 C104 121(2) . . ?
C100 C101 C104 119(2) . . ?
C97 C102 C101 120.2(18) . . ?
C97 C102 H102 119.9 . . ?
C101 C102 H102 119.9 . . ?
C99 C103 H10A 109.5 . . ?
C99 C103 H10B 109.5 . . ?
H10A C103 H10B 109.5 . . ?
C99 C103 H10C 109.5 . . ?
H10A C103 H10C 109.5 . . ?
H10B C103 H10C 109.5 . . ?
C101 C104 H10D 109.5 . . ?
C101 C104 H10E 109.5 . . ?
H10D C104 H10E 109.5 . . ?
C101 C104 H10F 109.5 . . ?
H10D C104 H10F 109.5 . . ?
H10E C104 H10F 109.5 . . ?
C110 C105 C106 120(2) . . ?
C110 C105 H105 120.2 . . ?
C106 C105 H105 120.2 . . ?
C105 C106 C107 118(2) . . ?
C105 C106 C111 117(2) . . ?
C107 C106 C111 124.4(19) . . ?
C108 C107 C106 123(2) . . ?
C108 C107 H107 118.5 . . ?
C106 C107 H107 118.5 . . ?
C107 C108 C109 118(2) . . ?
C107 C108 C112 122(2) . . ?
C109 C108 C112 121(2) . . ?
C110 C109 C108 119(2) . . ?
C110 C109 H109 120.3 . . ?
C108 C109 H109 120.3 . . ?
C109 C110 C105 121.9(18) . . ?
C109 C110 S00 121.3(16) . . ?
C105 C110 S00 116.7(17) . . ?
C106 C111 H11A 109.5 . . ?
C106 C111 H11B 109.5 . . ?
H11A C111 H11B 109.5 . . ?
C106 C111 H11C 109.5 . . ?
H11A C111 H11C 109.5 . . ?
H11B C111 H11C 109.5 . . ?
C108 C112 H11D 109.5 . . ?
C108 C112 H11E 109.5 . . ?
H11D C112 H11E 109.5 . . ?
C108 C112 H11F 109.5 . . ?
H11D C112 H11F 109.5 . . ?
H11E C112 H11F 109.5 . . ?
C110 S00 Au22 101.4(8) . . ?
C110 S00 Au16 110.6(6) . . ?
Au22 S00 Au16 75.58(13) . . ?
C6 S1 Au1 112.3(6) . . ?
C6 S1 Au14 114.6(6) . 18_655 ?
Au1 S1 Au14 92.47(13) . 18_655 ?
C17 S2 Au7 109.0(8) . . ?
C17 S2 Au1 107.9(8) . . ?
Au7 S2 Au1 101.15(17) . . ?
C25 S3 Au7 105.9(9) . . ?
C25 S3 Au8 114.5(9) . . ?
Au7 S3 Au8 90.64(14) . . ?
C38 S4 Au10 110.4(6) . . ?
C38 S4 Au6 115.4(6) . . ?
Au10 S4 Au6 92.57(13) . . ?
C97 S5 Au19 107.3(8) . . ?
C97 S5 Au18 115.9(10) . . ?
Au19 S5 Au18 92.27(17) . . ?
C78 S6 Au21 106.8(13) . . ?
C78 S6 Au17 113.5(10) . . ?
Au21 S6 Au17 101.16(17) . . ?
C41 S7 Au23 106.0(9) . . ?
C41 S7 Au10 103.4(9) . . ?
Au23 S7 Au10 99.91(16) . . ?
C9 S8 Au3 107.3(6) . . ?
C9 S8 Au2 108.9(6) . . ?
Au3 S8 Au2 104.59(15) . . ?
C65 S9 Au4 109.1(7) . . ?
C65 S9 Au24 110.8(6) . . ?
Au4 S9 Au24 91.68(13) . . ?
C57 S10 Au15 98.8(8) . . ?
C57 S10 Au3 110.6(6) . 18_655 ?
Au15 S10 Au3 100.41(19) . 18_655 ?
C49 S11 Au15 100.9(7) . . ?
C49 S11 Au13 114.9(9) . . ?
Au15 S11 Au13 79.46(15) . . ?
C86 S12 Au23 111.4(6) . . ?
C86 S12 Au20 104.0(6) . . ?
Au23 S12 Au20 87.58(13) . . ?
C94 S13 Au22 109.6(9) . . ?
C94 S13 Au21 109.6(8) . . ?
Au22 S13 Au21 98.20(19) . . ?

_refine_diff_density_max         3.424
_refine_diff_density_min         -2.632
_refine_diff_density_rms         0.282



####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_20200323zhuya_lx_0m_sq
_database_code_depnum_ccdc_archive 'CCDC 2022215'
loop_
_audit_author_name
_audit_author_address
'Xu Liu'
;university of science and technology of china
China
;
_audit_update_record             
;
2020-08-08 deposited with the CCDC.	2021-01-05 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C240 H270 Au38 Cd4 S30'
_chemical_formula_weight         12050.67

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'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cd Cd -0.8075 1.2024 '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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   35.243(3)
_cell_length_b                   36.193(3)
_cell_length_c                   46.321(4)
_cell_angle_alpha                78.898(3)
_cell_angle_beta                 74.680(3)
_cell_angle_gamma                79.183(3)
_cell_volume                     55331(8)
_cell_formula_units_Z            6
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    9462
_cell_measurement_theta_min      2.20
_cell_measurement_theta_max      25.94

_exptl_crystal_description       block
_exptl_crystal_colour            ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.170
_exptl_crystal_F_000             32304
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.100
_exptl_absorpt_coefficient_mu    15.470
_shelx_estimated_absorpt_T_min   0.148
_shelx_estimated_absorpt_T_max   0.307
_exptl_absorpt_process_details   
;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_max  0.0962
_exptl_absorpt_correction_T_min  0.0310
_exptl_special_details           
;
 The following wavelength and cell were deduced by SADABS from the
 direction cosines etc. They are given here for emergency use only:
 CELL 0.71058   35.139   36.041   46.150   79.037   74.436   79.183
;
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'BRUKER D8 VENTURE PHOTON II'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            432873
_diffrn_reflns_av_unetI/netI     0.1216
_diffrn_reflns_av_R_equivalents  0.0661
_diffrn_reflns_limit_h_min       -42
_diffrn_reflns_limit_h_max       42
_diffrn_reflns_limit_k_min       -43
_diffrn_reflns_limit_k_max       40
_diffrn_reflns_limit_l_min       -55
_diffrn_reflns_limit_l_max       55
_diffrn_reflns_theta_min         1.933
_diffrn_reflns_theta_max         25.290
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measured_fraction_theta_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_point_group_measured_fraction_full 0.993
_reflns_number_total             199500
_reflns_number_gt                110274
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0800P)²+9.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         199500
_refine_ls_number_parameters     9099
_refine_ls_number_restraints     109786
_refine_ls_R_factor_all          0.1086
_refine_ls_R_factor_gt           0.0551
_refine_ls_wR_factor_ref         0.1750
_refine_ls_wR_factor_gt          0.1486
_refine_ls_goodness_of_fit_ref   0.953
_refine_ls_restrained_S_all      0.870
_refine_ls_shift/su_max          0.062
_refine_ls_shift/su_mean         0.001

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.50680(2) 0.26300(2) 0.81631(2) 0.04399(15) Uani 1 1 d . . . . .
Au2 Au 0.55333(2) 0.17860(2) 0.36499(2) 0.04736(16) Uani 1 1 d . . . . .
Au3 Au 0.56019(2) 0.26080(2) 0.30939(2) 0.04674(16) Uani 1 1 d . . . . .
Au4 Au 0.60553(2) 0.21806(2) 0.80447(2) 0.04743(16) Uani 1 1 d . . . . .
Au5 Au 0.57298(2) 0.28439(2) 0.77175(2) 0.04691(16) Uani 1 1 d . . . . .
Au6 Au 0.51146(2) 0.26809(2) 0.75395(2) 0.04765(16) Uani 1 1 d . U . . .
Au7 Au 0.53894(2) 0.19576(2) 0.78826(2) 0.04663(16) Uani 1 1 d . . . . .
Au8 Au 0.45505(2) 0.22052(2) 0.79338(2) 0.04792(16) Uani 1 1 d . U . . .
Au9 Au 0.56189(2) 0.25437(2) 0.37113(2) 0.04887(17) Uani 1 1 d . . . . .
Au10 Au 0.49194(2) 0.22714(2) 0.34170(2) 0.04939(17) Uani 1 1 d . . . . .
Au11 Au 0.49706(2) 0.22215(2) 0.40439(2) 0.04973(17) Uani 1 1 d . U . . .
Au12 Au 0.60432(2) 0.21481(2) 0.74557(2) 0.04962(17) Uani 1 1 d . U . . .
Au13 Au 0.50157(2) 0.33224(2) 0.78131(2) 0.04771(16) Uani 1 1 d . U . . .
Au14 Au 0.56952(2) 0.32948(2) 0.33577(2) 0.04825(16) Uani 1 1 d . U . . .
Au15 Au 0.57155(2) 0.28489(2) 0.83271(2) 0.04910(16) Uani 1 1 d . . . . .
Au16 Au 0.66071(2) 0.25901(2) 0.74989(2) 0.05067(17) Uani 1 1 d . U . . .
Au17 Au 0.49575(2) 0.33345(2) 0.84767(2) 0.05001(17) Uani 1 1 d . U . . .
Au18 Au 0.49584(2) 0.29898(2) 0.34782(2) 0.04913(17) Uani 1 1 d . U . . .
Au19 Au 0.62086(2) 0.21089(2) 0.33248(2) 0.05143(17) Uani 1 1 d . . . . .
Au20 Au 0.53921(2) 0.19656(2) 0.84856(2) 0.04874(16) Uani 1 1 d . . . . .
Au21 Au 0.50534(2) 0.25628(2) 0.87840(2) 0.05194(17) Uani 1 1 d . U . . .
Au22 Au 0.49010(2) 0.28310(2) 0.29235(2) 0.05008(17) Uani 1 1 d . U . . .
Au23 Au 0.60993(2) 0.14900(2) 0.78856(2) 0.05316(17) Uani 1 1 d . U . . .
Au24 Au 0.60591(2) 0.22181(2) 0.86364(2) 0.05236(17) Uani 1 1 d . U . . .
Au25 Au 0.42185(2) 0.30317(2) 0.82699(2) 0.05181(17) Uani 1 1 d . U . . .
Au26 Au 0.46866(2) 0.16153(2) 0.38858(2) 0.05400(18) Uani 1 1 d . U . . .
Au27 Au 0.55319(2) 0.18671(2) 0.30206(2) 0.05273(17) Uani 1 1 d . . . . .
Au28 Au 0.61746(2) 0.14600(2) 0.84963(2) 0.05275(17) Uani 1 1 d . U . . .
Au29 Au 0.62410(2) 0.29140(2) 0.36640(2) 0.05403(18) Uani 1 1 d . U . . .
Au30 Au 0.55597(2) 0.24399(2) 0.24765(2) 0.05483(18) Uani 1 1 d . U . . .
Au31 Au 0.45789(2) 0.21845(2) 0.85817(2) 0.05265(18) Uani 1 1 d . U . . .
Au32 Au 0.52981(2) 0.12481(2) 0.34259(2) 0.05345(18) Uani 1 1 d . U . . .
Au33 Au 0.49725(2) 0.16720(2) 0.75774(2) 0.05346(18) Uani 1 1 d . U . . .
Au34 Au 0.63412(2) 0.14115(2) 0.37692(2) 0.05524(18) Uani 1 1 d . U . . .
Au35 Au 0.56091(2) 0.23571(2) 0.62358(2) 0.05516(18) Uani 1 1 d . U . . .
Au36 Au 0.55557(2) 0.40075(2) 0.36576(2) 0.05428(18) Uani 1 1 d . U . . .
Au37 Au 0.54906(2) 0.31875(2) 0.39715(2) 0.05434(18) Uani 1 1 d . U . . .
Au38 Au 0.57281(2) 0.19446(2) 0.41468(2) 0.05548(18) Uani 1 1 d . U . . .
Au39 Au 0.48281(2) 0.15126(2) 0.81995(2) 0.05379(18) Uani 1 1 d . U . . .
Au40 Au 0.55609(2) 0.15295(2) 0.89912(2) 0.05738(19) Uani 1 1 d . U . . .
Au41 Au 0.61381(2) 0.30053(2) 0.71329(2) 0.05241(17) Uani 1 1 d . U . . .
Au42 Au 0.63405(2) 0.28050(2) 0.29860(2) 0.05639(19) Uani 1 1 d . U . . .
Au43 Au 0.48885(2) 0.41298(2) 0.80759(2) 0.05427(18) Uani 1 1 d . U . . .
Au44 Au 0.62483(2) 0.21980(2) 0.27252(2) 0.05635(18) Uani 1 1 d . U . . .
Au45 Au 0.65205(2) 0.26447(2) 0.81296(2) 0.05567(18) Uani 1 1 d . U . . .
Au46 Au 0.62962(2) 0.32995(2) 0.75931(2) 0.05665(19) Uani 1 1 d . U . . .
Au47 Au 0.61035(2) 0.13656(2) 0.32355(2) 0.05502(18) Uani 1 1 d . U . . .
Au48 Au 0.40701(2) 0.18558(2) 0.76350(2) 0.05628(18) Uani 1 1 d . U . . .
Au49 Au 0.56116(2) 0.35949(2) 0.80892(2) 0.05471(18) Uani 1 1 d . U . . .
Au50 Au 0.69113(2) 0.17878(2) 0.79453(2) 0.05747(18) Uani 1 1 d . U . . .
Au51 Au 0.70602(2) 0.29254(2) 0.68663(2) 0.05595(18) Uani 1 1 d . U . . .
Au52 Au 0.64872(2) 0.35826(2) 0.32255(2) 0.05688(19) Uani 1 1 d . U . . .
Au53 Au 0.55055(2) 0.12004(2) 0.85097(2) 0.05695(18) Uani 1 1 d . U . . .
Au54 Au 0.56572(2) 0.32932(2) 0.26259(2) 0.05716(19) Uani 1 1 d . U . . .
Au55 Au 0.48552(2) 0.39611(2) 0.88743(2) 0.05698(18) Uani 1 1 d . U . . .
Au56 Au 0.71195(2) 0.31660(2) 0.75580(2) 0.05885(19) Uani 1 1 d . U . . .
Au57 Au 0.62021(2) 0.06664(2) 0.83295(2) 0.06020(19) Uani 1 1 d . U . . .
Au58 Au 0.55036(2) 0.10600(2) 0.40961(2) 0.05905(19) Uani 1 1 d . U . . .
Au59 Au 0.43522(2) 0.10204(2) 0.36475(2) 0.0594(2) Uani 1 1 d . U . . .
Au60 Au 0.65702(2) 0.20786(2) 0.37765(2) 0.06022(19) Uani 1 1 d . U . . .
Au61 Au 0.37927(2) 0.15776(2) 0.42063(2) 0.0615(2) Uani 1 1 d . U . . .
Au62 Au 0.62543(2) 0.08517(2) 0.90449(2) 0.06137(19) Uani 1 1 d . U . . .
Au63 Au 0.55908(2) 0.33810(2) 0.86951(2) 0.0618(2) Uani 1 1 d . U . . .
Au64 Au 0.47953(2) 0.26800(2) 0.22445(2) 0.0624(2) Uani 1 1 d . U . . .
Au65 Au 0.44829(2) 0.17655(2) 0.33531(2) 0.0623(2) Uani 1 1 d . U . . .
Au66 Au 0.49383(2) 0.20512(2) 0.27225(2) 0.0637(2) Uani 1 1 d . U . . .
Au67 Au 0.39694(2) 0.17097(2) 0.83942(2) 0.0643(2) Uani 1 1 d . U . . .
Au68 Au 0.69247(2) 0.16677(2) 0.33011(2) 0.0637(2) Uani 1 1 d . U . . .
Au72 Au 0.66038(2) 0.15287(2) 0.43109(2) 0.0665(2) Uani 1 1 d . U . . .
Au73 Au 0.55601(3) 0.23485(2) 0.99800(2) 0.0714(2) Uani 1 1 d . U . . .
Au74 Au 0.41722(2) 0.22542(2) 0.37776(2) 0.0698(2) Uani 1 1 d . U . . .
Au76 Au 0.56830(3) 0.21798(2) 0.18575(2) 0.0707(2) Uani 1 1 d . U . . .
Au79 Au 0.72256(2) 0.10087(2) 0.37544(2) 0.0714(2) Uani 1 1 d . U . . .
Au82 Au 0.36944(3) 0.33995(2) 0.46369(2) 0.0782(3) Uani 1 1 d . U . . .
Au95 Au 0.56720(3) 0.16814(2) 0.24612(2) 0.0852(3) Uani 1 1 d . U . . .
Au1K Au 0.74676(3) 0.09037(3) 0.21766(2) 0.1052(3) Uani 1 1 d . U . . .
Cd1 Cd 0.62718(4) 0.25620(4) 0.66139(3) 0.0543(3) Uani 1 1 d . U . . .
Cd2 Cd 0.49328(4) 0.21432(4) 0.69220(3) 0.0548(3) Uani 1 1 d . U . . .
Cd3 Cd 0.46284(4) 0.36206(4) 0.41474(3) 0.0600(4) Uani 1 1 d . U . . .
Cd4 Cd 0.52643(4) 0.30976(4) 0.93959(3) 0.0641(4) Uani 1 1 d . U . . .
Cd5 Cd 0.59064(5) 0.16939(4) 0.94716(3) 0.0646(4) Uani 1 1 d . U . . .
Cd6 Cd 0.38386(5) 0.25385(4) 0.43955(3) 0.0746(5) Uani 1 1 d . U . . .
Cd7 Cd 0.72645(4) 0.10032(5) 0.29479(3) 0.0722(4) Uani 1 1 d . U . . .
Cd10 Cd 0.65596(6) 0.15330(5) 0.20812(3) 0.0940(6) Uani 1 1 d . U . . .
Au1O Au 0.81822(2) 0.50467(3) 0.39632(2) 0.0731(2) Uani 1 1 d . U . . .
Au1N Au 0.89472(3) 0.69020(3) 0.37450(2) 0.0902(3) Uani 1 1 d . U . . .
Au69 Au 1.08570(4) 0.53035(5) 0.23625(4) 0.0828(5) Uani 0.812(2) 1 d D U P A 1
Au70 Au 1.04979(4) 0.44725(5) 0.25446(4) 0.0772(4) Uani 0.812(2) 1 d D U P A 1
Au71 Au 1.00025(4) 0.52746(4) 0.24612(3) 0.0607(4) Uani 0.812(2) 1 d D U P A 1
Au75 Au 1.01810(5) 0.47956(5) 0.20237(4) 0.0778(4) Uani 0.812(2) 1 d D U P A 1
Au77 Au 0.96348(5) 0.46225(5) 0.26210(4) 0.0683(4) Uani 0.812(2) 1 d D U P A 1
Au78 Au 1.01761(4) 0.61256(4) 0.22771(3) 0.0658(4) Uani 0.812(2) 1 d D U P A 1
Au80 Au 1.09398(5) 0.36433(6) 0.25234(6) 0.1325(7) Uani 0.812(2) 1 d D U P A 1
Au81 Au 0.95509(4) 0.53495(5) 0.20174(3) 0.0640(4) Uani 0.812(2) 1 d D U P A 1
Au83 Au 1.03123(5) 0.55581(5) 0.18806(4) 0.0729(4) Uani 0.812(2) 1 d D U P A 1
Au84 Au 0.91836(5) 0.46463(5) 0.22267(4) 0.0681(4) Uani 0.812(2) 1 d D U P A 1
Au85 Au 1.00697(5) 0.39457(5) 0.25010(4) 0.0954(5) Uani 0.812(2) 1 d D U P A 1
Au86 Au 1.02405(4) 0.50172(5) 0.29872(4) 0.0656(4) Uani 0.812(2) 1 d D U P A 1
Au87 Au 0.89954(4) 0.52195(4) 0.25922(3) 0.0546(3) Uani 0.812(2) 1 d D U P A 1
Au88 Au 0.99883(5) 0.41995(6) 0.30488(5) 0.0807(5) Uani 0.812(2) 1 d D U P A 1
Au89 Au 0.96617(4) 0.63340(5) 0.19199(3) 0.0694(4) Uani 0.812(2) 1 d D U P A 1
Au90 Au 1.07796(7) 0.41374(6) 0.31249(6) 0.1116(6) Uani 0.812(2) 1 d D U P A 1
Au91 Au 0.94853(4) 0.65786(5) 0.24758(3) 0.0707(4) Uani 0.812(2) 1 d D U P A 1
Au92 Au 0.93755(4) 0.58729(4) 0.24305(4) 0.0594(4) Uani 0.812(2) 1 d D U P A 1
Au93 Au 1.04414(5) 0.64991(5) 0.16197(3) 0.0826(5) Uani 0.812(2) 1 d D U P A 1
Au94 Au 0.88576(5) 0.45009(5) 0.28533(4) 0.0633(4) Uani 0.812(2) 1 d D U P A 1
Au96 Au 1.02450(4) 0.69877(5) 0.22400(3) 0.0763(4) Uani 0.812(2) 1 d D U P A 1
Au97 Au 0.87131(5) 0.53370(5) 0.20150(4) 0.0597(4) Uani 0.812(2) 1 d D U P A 1
Au98 Au 0.94366(4) 0.51435(5) 0.30389(3) 0.0591(4) Uani 0.812(2) 1 d D U P A 1
Au99 Au 0.98243(5) 0.57585(4) 0.28869(3) 0.0601(4) Uani 0.812(2) 1 d D U P A 1
Au1A Au 0.90944(4) 0.59350(4) 0.17552(4) 0.0622(4) Uani 0.812(2) 1 d D U P A 1
Au1B Au 0.93231(5) 0.52534(5) 0.15223(4) 0.0637(4) Uani 0.812(2) 1 d D U P A 1
Au1C Au 1.00316(6) 0.36351(7) 0.12669(5) 0.1478(9) Uani 0.812(2) 1 d D U P A 1
Au1D Au 0.85942(5) 0.59127(5) 0.24148(4) 0.0594(4) Uani 0.812(2) 1 d D U P A 1
Au1E Au 0.88172(5) 0.57863(5) 0.29605(3) 0.0560(4) Uani 0.812(2) 1 d D U P A 1
Au1F Au 0.91913(5) 0.45176(6) 0.34195(5) 0.0669(4) Uani 0.812(2) 1 d D U P A 1
Au1G Au 0.86020(5) 0.50629(6) 0.32891(4) 0.0545(4) Uani 0.812(2) 1 d D U P A 1
Au1H Au 0.84828(5) 0.53000(5) 0.14194(4) 0.0681(4) Uani 0.812(2) 1 d D U P A 1
Au1I Au 0.81266(5) 0.51661(6) 0.27268(5) 0.0552(4) Uani 0.812(2) 1 d D U P A 1
Au1J Au 0.82473(5) 0.61072(5) 0.17881(5) 0.0674(4) Uani 0.812(2) 1 d D U P A 1
Au1L Au 0.84220(7) 0.42555(6) 0.36023(7) 0.0680(5) Uani 0.812(2) 1 d D U P A 1
Au1M Au 0.90582(7) 0.52064(7) 0.36310(4) 0.0651(5) Uani 0.812(2) 1 d D U P A 1
Cd8 Cd 1.04636(9) 0.37398(11) 0.18601(8) 0.1399(12) Uani 0.812(2) 1 d D U P A 1
Cd9 Cd 0.93057(11) 0.44421(8) 0.14020(7) 0.0843(8) Uani 0.812(2) 1 d D U P A 1
Cd11 Cd 0.96060(8) 0.68377(8) 0.30211(7) 0.0720(7) Uani 0.812(2) 1 d D U P A 1
Cd12 Cd 0.86385(15) 0.60192(9) 0.37807(10) 0.0676(7) Uani 0.812(2) 1 d D U P A
1
Au69_1000 Au 1.0917(2) 0.5109(3) 0.2347(2) 0.113(3) Uani 0.188(2) 1 d D U P A 2
Au70_1000 Au 1.0511(2) 0.4288(2) 0.2574(2) 0.111(2) Uani 0.188(2) 1 d D U P A 2
Au71_1000 Au 1.0048(2) 0.51099(19) 0.24633(16) 0.085(2) Uani 0.188(2) 1 d D U P
A 2
Au75_1000 Au 1.0187(3) 0.4614(2) 0.20499(19) 0.113(3) Uani 0.188(2) 1 d D U P A
2
Au77_1000 Au 0.9656(2) 0.4469(2) 0.26513(19) 0.087(2) Uani 0.188(2) 1 d D U P A
2
Au78_1000 Au 1.0266(2) 0.5932(2) 0.22634(16) 0.094(2) Uani 0.188(2) 1 d D U P A
2
Au80_1000 Au 1.0875(2) 0.3424(3) 0.2643(2) 0.145(3) Uani 0.188(2) 1 d D U P A 2
Au81_1000 Au 0.9588(2) 0.5179(2) 0.20242(17) 0.085(2) Uani 0.188(2) 1 d D U P A
2
Au83_1000 Au 1.0349(2) 0.5364(2) 0.18754(17) 0.102(3) Uani 0.188(2) 1 d D U P A
2
Au84_1000 Au 0.9203(3) 0.4488(2) 0.22566(19) 0.093(3) Uani 0.188(2) 1 d D U P A
2
Au85_1000 Au 1.0042(3) 0.3763(2) 0.2598(2) 0.122(3) Uani 0.188(2) 1 d D U P A 2
Au86_1000 Au 1.0299(3) 0.4874(2) 0.2985(2) 0.108(3) Uani 0.188(2) 1 d D U P A 2
Au87_1000 Au 0.9038(2) 0.5081(2) 0.26025(16) 0.078(2) Uani 0.188(2) 1 d D U P A
2
Au88_1000 Au 0.9998(3) 0.4080(3) 0.3100(2) 0.111(3) Uani 0.188(2) 1 d D U P A 2
Au89_1000 Au 0.9765(2) 0.6146(2) 0.18951(16) 0.094(2) Uani 0.188(2) 1 d D U P A
2
Au90_1000 Au 1.0783(4) 0.3997(3) 0.3177(3) 0.152(4) Uani 0.188(2) 1 d D U P A 2
Au91_1000 Au 0.9593(2) 0.6414(2) 0.24442(18) 0.093(2) Uani 0.188(2) 1 d D U P A
2
Au92_1000 Au 0.9439(2) 0.5721(2) 0.24180(18) 0.080(2) Uani 0.188(2) 1 d D U P A
2
Au93_1000 Au 1.0561(3) 0.6296(3) 0.1606(2) 0.127(3) Uani 0.188(2) 1 d D U P A 2
Au94_1000 Au 0.8871(3) 0.4375(2) 0.2885(2) 0.092(3) Uani 0.188(2) 1 d D U P A 2
Au96_1000 Au 1.0360(2) 0.6795(2) 0.2221(2) 0.113(2) Uani 0.188(2) 1 d D U P A 2
Au97_1000 Au 0.8761(3) 0.5191(2) 0.20180(19) 0.082(2) Uani 0.188(2) 1 d D U P A
2
Au98_1000 Au 0.9490(2) 0.5008(2) 0.30485(18) 0.089(3) Uani 0.188(2) 1 d D U P A
2
Au99_1000 Au 0.9892(3) 0.5610(2) 0.28798(18) 0.087(2) Uani 0.188(2) 1 d D U P A
2
Au1A_1000 Au 0.9153(2) 0.5779(2) 0.17501(19) 0.089(2) Uani 0.188(2) 1 d D U P A
2
Au1B_1000 Au 0.9369(3) 0.5096(3) 0.1524(2) 0.099(3) Uani 0.188(2) 1 d D U P A 2
Au1C_1000 Au 1.0033(3) 0.3384(3) 0.1374(2) 0.170(3) Uani 0.188(2) 1 d D U P A 2
Au1D_1000 Au 0.8656(2) 0.5772(2) 0.24126(19) 0.086(2) Uani 0.188(2) 1 d D U P A
2
Au1E_1000 Au 0.8887(3) 0.5660(2) 0.29575(19) 0.079(2) Uani 0.188(2) 1 d D U P A
2
Au1F_1000 Au 0.9206(3) 0.4417(3) 0.3446(2) 0.100(3) Uani 0.188(2) 1 d D U P A 2
Au1G_1000 Au 0.8638(3) 0.4952(3) 0.3299(2) 0.087(3) Uani 0.188(2) 1 d D U P A 2
Au1H_1000 Au 0.8547(3) 0.5145(3) 0.1419(3) 0.111(3) Uani 0.188(2) 1 d D U P A 2
Au1I_1000 Au 0.8165(3) 0.5053(3) 0.2730(3) 0.080(3) Uani 0.188(2) 1 d D U P A 2
Au1J_1000 Au 0.8296(3) 0.5957(3) 0.1790(3) 0.102(3) Uani 0.188(2) 1 d D U P A 2
Au1L_1000 Au 0.8441(4) 0.4150(3) 0.3627(4) 0.096(3) Uani 0.188(2) 1 d D U P A 2
Au1M_1000 Au 0.9100(4) 0.5111(3) 0.3633(3) 0.094(3) Uani 0.188(2) 1 d D U P A 2
Cd8_1000 Cd 1.0381(5) 0.3505(5) 0.1983(3) 0.159(3) Uani 0.188(2) 1 d D U P A 2
Cd9_1000 Cd 0.9351(6) 0.4276(4) 0.1424(4) 0.108(3) Uani 0.188(2) 1 d D U P A 2
Cd11_1000 Cd 0.9686(5) 0.6709(5) 0.2984(3) 0.104(3) Uani 0.188(2) 1 d D U P A 2
Cd12_1000 Cd 0.8648(8) 0.5911(5) 0.3788(5) 0.087(3) Uani 0.188(2) 1 d D U P A 2
S1_2 S 0.42521(13) 0.33061(12) 0.86700(9) 0.0537(11) Uani 1 1 d D U . . .
C1_2 C 0.40584(13) 0.38034(19) 0.8619(2) 0.058(3) Uani 1 1 d DG U . . .
C2_2 C 0.3951(2) 0.3987(3) 0.88721(18) 0.065(3) Uani 1 1 d DG U . . .
H2_2 H 0.398057 0.385281 0.905914 0.078 Uiso 1 1 calc R U . . .
C3_2 C 0.3799(2) 0.4372(3) 0.8846(2) 0.066(3) Uani 1 1 d DG U . . .
C4_2 C 0.3755(2) 0.45734(19) 0.8566(2) 0.068(3) Uani 1 1 d DG U . . .
H4_2 H 0.365324 0.483102 0.854834 0.082 Uiso 1 1 calc R U . . .
C5_2 C 0.3862(2) 0.4389(3) 0.83130(18) 0.065(3) Uani 1 1 d DG U . . .
C6_2 C 0.4014(2) 0.4004(3) 0.83395(19) 0.062(3) Uani 1 1 d DG U . . .
H6_2 H 0.408602 0.388140 0.817015 0.075 Uiso 1 1 calc R U . . .
C7_2 C 0.3683(4) 0.4575(5) 0.9121(3) 0.075(4) Uani 1 1 d D U . . .
H7A_2 H 0.358407 0.483734 0.906399 0.112 Uiso 1 1 calc R U . . .
H7B_2 H 0.347917 0.445676 0.927261 0.112 Uiso 1 1 calc R U . . .
H7C_2 H 0.391088 0.455836 0.920183 0.112 Uiso 1 1 calc R U . . .
C8_2 C 0.3816(4) 0.4608(5) 0.8008(3) 0.080(4) Uani 1 1 d D U . . .
H8A_2 H 0.390344 0.444025 0.785839 0.120 Uiso 1 1 calc R U . . .
H8B_2 H 0.354201 0.471201 0.801961 0.120 Uiso 1 1 calc R U . . .
H8C_2 H 0.397426 0.481152 0.795117 0.120 Uiso 1 1 calc R U . . .
S1_3 S 0.47224(13) 0.39463(12) 0.76784(9) 0.0519(10) Uani 1 1 d D U . . .
C1_3 C 0.49899(17) 0.4183(3) 0.7331(2) 0.054(2) Uani 1 1 d D U . . .
C2_3 C 0.5148(2) 0.4505(3) 0.7324(3) 0.058(3) Uani 1 1 d D U . . .
H2_3 H 0.511642 0.460344 0.750161 0.070 Uiso 1 1 calc R U . . .
C3_3 C 0.5355(3) 0.4684(3) 0.7049(3) 0.058(3) Uani 1 1 d D U . . .
C4_3 C 0.5399(3) 0.4537(3) 0.6788(3) 0.057(3) Uani 1 1 d D U . . .
H4_3 H 0.553692 0.465758 0.660543 0.068 Uiso 1 1 calc R U . . .
C5_3 C 0.5243(3) 0.4213(3) 0.6792(2) 0.054(3) Uani 1 1 d D U . . .
C6_3 C 0.5038(3) 0.4032(3) 0.7065(2) 0.053(3) Uani 1 1 d D U . . .
H6_3 H 0.493365 0.381209 0.707040 0.064 Uiso 1 1 calc R U . . .
C7_3 C 0.5526(4) 0.5039(3) 0.7047(4) 0.070(4) Uani 1 1 d D U . . .
H7A_3 H 0.546431 0.509667 0.724967 0.105 Uiso 1 1 calc R U . . .
H7B_3 H 0.580880 0.499603 0.697123 0.105 Uiso 1 1 calc R U . . .
H7C_3 H 0.541190 0.524774 0.691978 0.105 Uiso 1 1 calc R U . . .
C8_3 C 0.5296(4) 0.4059(4) 0.6503(3) 0.069(4) Uani 1 1 d D U . . .
H8A_3 H 0.517088 0.383488 0.654512 0.103 Uiso 1 1 calc R U . . .
H8B_3 H 0.517743 0.424775 0.636394 0.103 Uiso 1 1 calc R U . . .
H8C_3 H 0.557489 0.399672 0.641485 0.103 Uiso 1 1 calc R U . . .
S1_4 S 0.50521(14) 0.43817(12) 0.84427(10) 0.0569(11) Uani 1 1 d D U . . .
C1_4 C 0.47565(19) 0.4836(3) 0.8471(3) 0.066(3) Uani 1 1 d D U . . .
C2_4 C 0.4650(3) 0.5055(3) 0.8216(3) 0.070(3) Uani 1 1 d D U . . .
H2_4 H 0.473193 0.496344 0.803172 0.084 Uiso 1 1 calc R U . . .
C3_4 C 0.4417(3) 0.5414(4) 0.8236(3) 0.075(3) Uani 1 1 d D U . . .
C4_4 C 0.4297(3) 0.5546(4) 0.8509(3) 0.078(3) Uani 1 1 d D U . . .
H4_4 H 0.414364 0.578335 0.852067 0.093 Uiso 1 1 calc R U . . .
C5_4 C 0.4398(3) 0.5336(4) 0.8763(3) 0.075(3) Uani 1 1 d D U . . .
C6_4 C 0.4628(3) 0.4979(4) 0.8746(3) 0.071(3) Uani 1 1 d D U . . .
H6_4 H 0.469569 0.483421 0.891835 0.085 Uiso 1 1 calc R U . . .
C7_4 C 0.4312(5) 0.5635(5) 0.7947(3) 0.091(5) Uani 1 1 d D U . . .
H7A_4 H 0.442697 0.548954 0.778398 0.137 Uiso 1 1 calc R U . . .
H7B_4 H 0.402841 0.568241 0.797524 0.137 Uiso 1 1 calc R U . . .
H7C_4 H 0.441474 0.587288 0.789858 0.137 Uiso 1 1 calc R U . . .
C8_4 C 0.4259(5) 0.5490(5) 0.9065(3) 0.093(5) Uani 1 1 d D U . . .
H8A_4 H 0.435499 0.530763 0.921896 0.139 Uiso 1 1 calc R U . . .
H8B_4 H 0.436016 0.572426 0.904510 0.139 Uiso 1 1 calc R U . . .
H8C_4 H 0.397327 0.553489 0.912070 0.139 Uiso 1 1 calc R U . . .
S1_5 S 0.59727(13) 0.32439(13) 0.66701(9) 0.0550(11) Uani 1 1 d D U . . .
C1_5 C 0.6342(3) 0.3554(3) 0.6506(2) 0.065(3) Uani 1 1 d D U . . .
C2_5 C 0.6653(3) 0.3470(3) 0.6263(2) 0.066(3) Uani 1 1 d D U . . .
H2_5 H 0.667456 0.324931 0.618060 0.080 Uiso 1 1 calc R U . . .
C3_5 C 0.6938(3) 0.3721(3) 0.6140(3) 0.067(3) Uani 1 1 d D U . . .
C4_5 C 0.6896(4) 0.4042(3) 0.6268(3) 0.070(3) Uani 1 1 d D U . . .
H4_5 H 0.708268 0.420827 0.618783 0.085 Uiso 1 1 calc R U . . .
C5_5 C 0.6590(4) 0.4129(3) 0.6510(3) 0.072(3) Uani 1 1 d D U . . .
C6_5 C 0.6304(4) 0.3881(3) 0.6634(3) 0.069(3) Uani 1 1 d D U . . .
H6_5 H 0.609544 0.393364 0.679823 0.083 Uiso 1 1 calc R U . . .
C7_5 C 0.7273(4) 0.3616(5) 0.5873(3) 0.091(5) Uani 1 1 d D U . . .
H7A_5 H 0.724241 0.338002 0.582273 0.136 Uiso 1 1 calc R U . . .
H7B_5 H 0.726525 0.381277 0.570246 0.136 Uiso 1 1 calc R U . . .
H7C_5 H 0.752367 0.358916 0.592620 0.136 Uiso 1 1 calc R U . . .
C8_5 C 0.6545(5) 0.4489(4) 0.6650(4) 0.081(4) Uani 1 1 d D U . . .
H8A_5 H 0.631404 0.449776 0.681481 0.121 Uiso 1 1 calc R U . . .
H8B_5 H 0.677684 0.448624 0.672281 0.121 Uiso 1 1 calc R U . . .
H8C_5 H 0.651779 0.470891 0.649923 0.121 Uiso 1 1 calc R U . . .
S1_6 S 0.60730(14) 0.23135(12) 0.91264(9) 0.0561(11) Uani 1 1 d D U . . .
C1_6 C 0.6579(3) 0.22830(13) 0.9146(3) 0.065(3) Uani 1 1 d D U . . .
C2_6 C 0.6658(4) 0.2341(2) 0.9413(3) 0.072(3) Uani 1 1 d D U . . .
H2_6 H 0.644757 0.239436 0.957628 0.087 Uiso 1 1 calc R U . . .
C3_6 C 0.7052(4) 0.2320(3) 0.9440(3) 0.076(3) Uani 1 1 d D U . . .
C4_6 C 0.7356(4) 0.2241(3) 0.9195(3) 0.077(3) Uani 1 1 d D U . . .
H4_6 H 0.761722 0.222548 0.920882 0.092 Uiso 1 1 calc R U . . .
C5_6 C 0.7287(4) 0.2182(3) 0.8929(3) 0.074(3) Uani 1 1 d D U . . .
C6_6 C 0.6894(4) 0.2203(2) 0.8906(3) 0.072(3) Uani 1 1 d D U . . .
H6_6 H 0.684620 0.216245 0.872755 0.086 Uiso 1 1 calc R U . . .
C7_6 C 0.7125(6) 0.2385(4) 0.9734(3) 0.090(4) Uani 1 1 d D U . . .
H7A_6 H 0.687509 0.243618 0.987561 0.135 Uiso 1 1 calc R U . . .
H7B_6 H 0.727890 0.216121 0.981722 0.135 Uiso 1 1 calc R U . . .
H7C_6 H 0.726780 0.259741 0.969549 0.135 Uiso 1 1 calc R U . . .
C8_6 C 0.7624(5) 0.2095(4) 0.8659(4) 0.087(5) Uani 1 1 d D U . . .
H8A_6 H 0.751600 0.206397 0.849656 0.131 Uiso 1 1 calc R U . . .
H8B_6 H 0.777820 0.230125 0.859336 0.131 Uiso 1 1 calc R U . . .
H8C_6 H 0.779102 0.186490 0.871499 0.131 Uiso 1 1 calc R U . . .
S1_7 S 0.71044(13) 0.29129(15) 0.80591(10) 0.0630(12) Uani 1 1 d D U . . .
C1_7 C 0.69867(15) 0.3287(4) 0.8283(3) 0.074(3) Uani 1 1 d D U . . .
C2_7 C 0.6875(2) 0.3670(4) 0.8176(3) 0.081(3) Uani 1 1 d D U . . .
H2_7 H 0.685843 0.374308 0.797584 0.097 Uiso 1 1 calc R U . . .
C3_7 C 0.6786(3) 0.3952(4) 0.8373(3) 0.082(3) Uani 1 1 d D U . . .
C4_7 C 0.6815(3) 0.3832(4) 0.8669(3) 0.079(3) Uani 1 1 d D U . . .
H4_7 H 0.675798 0.401092 0.879897 0.095 Uiso 1 1 calc R U . . .
C5_7 C 0.6922(3) 0.3460(4) 0.8777(3) 0.078(3) Uani 1 1 d D U . . .
C6_7 C 0.7009(3) 0.3186(4) 0.8588(3) 0.079(3) Uani 1 1 d D U . . .
H6_7 H 0.708239 0.293245 0.866303 0.095 Uiso 1 1 calc R U . . .
C7_7 C 0.6665(4) 0.4367(4) 0.8257(4) 0.102(5) Uani 1 1 d D U . . .
H7A_7 H 0.666179 0.439502 0.804736 0.154 Uiso 1 1 calc R U . . .
H7B_7 H 0.640387 0.445334 0.837179 0.154 Uiso 1 1 calc R U . . .
H7C_7 H 0.685089 0.451618 0.827909 0.154 Uiso 1 1 calc R U . . .
C8_7 C 0.6950(4) 0.3335(5) 0.9106(3) 0.086(5) Uani 1 1 d D U . . .
H8A_7 H 0.702966 0.306520 0.914078 0.129 Uiso 1 1 calc R U . . .
H8B_7 H 0.714292 0.346235 0.914538 0.129 Uiso 1 1 calc R U . . .
H8C_7 H 0.669552 0.340079 0.923779 0.129 Uiso 1 1 calc R U . . .
S1_8 S 0.70804(13) 0.20165(13) 0.74378(10) 0.0575(11) Uani 1 1 d D U . . .
C1_8 C 0.7551(3) 0.21848(15) 0.7360(3) 0.066(3) Uani 1 1 d D U . . .
C2_8 C 0.7696(3) 0.2280(2) 0.7580(3) 0.068(3) Uani 1 1 d D U . . .
H2_8 H 0.754653 0.225887 0.777884 0.082 Uiso 1 1 calc R U . . .
C3_8 C 0.8062(4) 0.2409(3) 0.7508(3) 0.073(3) Uani 1 1 d D U . . .
C4_8 C 0.8274(4) 0.2438(3) 0.7209(3) 0.074(3) Uani 1 1 d D U . . .
H4_8 H 0.851931 0.252458 0.715790 0.088 Uiso 1 1 calc R U . . .
C5_8 C 0.8138(4) 0.2344(3) 0.6984(3) 0.072(3) Uani 1 1 d D U . . .
C6_8 C 0.7769(3) 0.2215(3) 0.7060(3) 0.069(3) Uani 1 1 d D U . . .
H6_8 H 0.767089 0.215035 0.691231 0.083 Uiso 1 1 calc R U . . .
C7_8 C 0.8216(5) 0.2514(4) 0.7756(4) 0.082(4) Uani 1 1 d D U . . .
H7A_8 H 0.802595 0.247418 0.794599 0.122 Uiso 1 1 calc R U . . .
H7B_8 H 0.846429 0.235714 0.776887 0.122 Uiso 1 1 calc R U . . .
H7C_8 H 0.825389 0.277659 0.770774 0.122 Uiso 1 1 calc R U . . .
C8_8 C 0.8381(5) 0.2380(5) 0.6661(3) 0.087(5) Uani 1 1 d D U . . .
H8A_8 H 0.824036 0.230261 0.653591 0.130 Uiso 1 1 calc R U . . .
H8B_8 H 0.842321 0.263918 0.658970 0.130 Uiso 1 1 calc R U . . .
H8C_8 H 0.863223 0.221932 0.665155 0.130 Uiso 1 1 calc R U . . .
S1_9 S 0.68750(13) 0.14735(13) 0.84281(10) 0.0600(11) Uani 1 1 d D U . . .
C1_9 C 0.71143(18) 0.0999(3) 0.8384(3) 0.076(3) Uani 1 1 d D U . . .
C2_9 C 0.7223(3) 0.0778(4) 0.8640(3) 0.078(3) Uani 1 1 d D U . . .
H2_9 H 0.717052 0.087780 0.881971 0.094 Uiso 1 1 calc R U . . .
C3_9 C 0.7412(3) 0.0402(4) 0.8623(3) 0.084(3) Uani 1 1 d D U . . .
C4_9 C 0.7486(3) 0.0262(4) 0.8356(3) 0.086(3) Uani 1 1 d D U . . .
H4_9 H 0.761141 0.001331 0.834482 0.103 Uiso 1 1 calc R U . . .
C5_9 C 0.7380(3) 0.0479(4) 0.8106(3) 0.082(3) Uani 1 1 d D U . . .
C6_9 C 0.7191(3) 0.0854(4) 0.8114(3) 0.080(3) Uani 1 1 d D U . . .
H6_9 H 0.711776 0.100223 0.794425 0.096 Uiso 1 1 calc R U . . .
C7_9 C 0.7531(5) 0.0160(5) 0.8904(4) 0.100(5) Uani 1 1 d D U . . .
H7A_9 H 0.745463 0.030687 0.906744 0.151 Uiso 1 1 calc R U . . .
H7B_9 H 0.739809 -0.006120 0.896158 0.151 Uiso 1 1 calc R U . . .
H7C_9 H 0.781311 0.008228 0.885951 0.151 Uiso 1 1 calc R U . . .
C8_9 C 0.7461(5) 0.0322(5) 0.7813(4) 0.096(5) Uani 1 1 d D U . . .
H8A_9 H 0.736692 0.051341 0.766315 0.144 Uiso 1 1 calc R U . . .
H8B_9 H 0.774236 0.024712 0.774270 0.144 Uiso 1 1 calc R U . . .
H8C_9 H 0.732693 0.010445 0.784540 0.144 Uiso 1 1 calc R U . . .
S1_10 S 0.50777(14) 0.24896(13) 0.92981(9) 0.0577(11) Uani 1 1 d D U . . .
C1_10 C 0.4574(3) 0.25294(17) 0.9523(3) 0.070(3) Uani 1 1 d D U . . .
C2_10 C 0.4250(4) 0.2652(2) 0.9392(3) 0.075(3) Uani 1 1 d D U . . .
H2_10 H 0.429083 0.271631 0.918319 0.090 Uiso 1 1 calc R U . . .
C3_10 C 0.3863(4) 0.2679(3) 0.9575(3) 0.079(3) Uani 1 1 d D U . . .
C4_10 C 0.3806(5) 0.2584(3) 0.9883(3) 0.082(3) Uani 1 1 d D U . . .
H4_10 H 0.354742 0.260300 1.000301 0.098 Uiso 1 1 calc R U . . .
C5_10 C 0.4115(4) 0.2462(3) 1.0019(3) 0.079(3) Uani 1 1 d D U . . .
C6_10 C 0.4501(4) 0.2435(3) 0.9836(3) 0.075(3) Uani 1 1 d D U . . .
H6_10 H 0.471514 0.235155 0.992565 0.090 Uiso 1 1 calc R U . . .
C7_10 C 0.3519(5) 0.2813(4) 0.9426(4) 0.095(5) Uani 1 1 d D U . . .
H7A_10 H 0.361784 0.286581 0.921049 0.142 Uiso 1 1 calc R U . . .
H7B_10 H 0.335078 0.261900 0.947337 0.142 Uiso 1 1 calc R U . . .
H7C_10 H 0.336863 0.304064 0.949928 0.142 Uiso 1 1 calc R U . . .
C8_10 C 0.4056(6) 0.2356(4) 1.0361(3) 0.100(5) Uani 1 1 d D U . . .
H8A_10 H 0.431070 0.227837 1.040963 0.150 Uiso 1 1 calc R U . . .
H8B_10 H 0.392030 0.257295 1.045646 0.150 Uiso 1 1 calc R U . . .
H8C_10 H 0.390132 0.215127 1.043146 0.150 Uiso 1 1 calc R U . . .
S1_11 S 0.39500(13) 0.19966(13) 0.88044(10) 0.0622(12) Uani 1 1 d D U . . .
C1_11 C 0.39736(17) 0.1614(3) 0.9109(2) 0.073(3) Uani 1 1 d D U . . .
C2_11 C 0.3873(2) 0.1267(3) 0.9094(3) 0.075(3) Uani 1 1 d D U . . .
H2_11 H 0.379323 0.123578 0.892565 0.090 Uiso 1 1 calc R U . . .
C3_11 C 0.3890(3) 0.0963(4) 0.9331(3) 0.076(3) Uani 1 1 d D U . . .
C4_11 C 0.4009(3) 0.1019(4) 0.9580(3) 0.076(3) Uani 1 1 d D U . . .
H4_11 H 0.402033 0.081908 0.973857 0.092 Uiso 1 1 calc R U . . .
C5_11 C 0.4111(3) 0.1360(4) 0.9600(3) 0.075(3) Uani 1 1 d D U . . .
C6_11 C 0.4093(3) 0.1657(4) 0.9362(3) 0.075(3) Uani 1 1 d D U . . .
H6_11 H 0.416272 0.188885 0.937201 0.090 Uiso 1 1 calc R U . . .
C7_11 C 0.3776(4) 0.0582(4) 0.9311(4) 0.089(5) Uani 1 1 d D U . . .
H7A_11 H 0.370271 0.059890 0.912279 0.134 Uiso 1 1 calc R U . . .
H7B_11 H 0.399868 0.038493 0.932079 0.134 Uiso 1 1 calc R U . . .
H7C_11 H 0.355562 0.052273 0.947633 0.134 Uiso 1 1 calc R U . . .
C8_11 C 0.4240(4) 0.1410(5) 0.9878(3) 0.081(4) Uani 1 1 d D U . . .
H8A_11 H 0.429930 0.166380 0.985483 0.121 Uiso 1 1 calc R U . . .
H8B_11 H 0.402853 0.136729 1.005545 0.121 Uiso 1 1 calc R U . . .
H8C_11 H 0.447186 0.123034 0.990001 0.121 Uiso 1 1 calc R U . . .
S1_12 S 0.52392(15) 0.14688(13) 0.95105(10) 0.0650(12) Uani 1 1 d D U . . .
C1_12 C 0.5313(3) 0.0961(3) 0.9581(2) 0.070(3) Uani 1 1 d D U . . .
C2_12 C 0.5129(3) 0.0760(4) 0.9444(2) 0.073(3) Uani 1 1 d D U . . .
H2_12 H 0.496818 0.089083 0.931611 0.088 Uiso 1 1 calc R U . . .
C3_12 C 0.5182(3) 0.0364(4) 0.9498(3) 0.075(3) Uani 1 1 d D U . . .
C4_12 C 0.5420(3) 0.0170(4) 0.9688(2) 0.077(3) Uani 1 1 d D U . . .
H4_12 H 0.545459 -0.009460 0.972381 0.093 Uiso 1 1 calc R U . . .
C5_12 C 0.5605(3) 0.0362(4) 0.9826(2) 0.074(3) Uani 1 1 d D U . . .
C6_12 C 0.5552(3) 0.0759(4) 0.9774(2) 0.072(3) Uani 1 1 d D U . . .
H6_12 H 0.567712 0.089041 0.986737 0.086 Uiso 1 1 calc R U . . .
C7_12 C 0.4982(4) 0.0141(5) 0.9344(3) 0.090(4) Uani 1 1 d D U . . .
H7A_12 H 0.482853 0.031630 0.922029 0.135 Uiso 1 1 calc R U . . .
H7B_12 H 0.518239 -0.001866 0.922051 0.135 Uiso 1 1 calc R U . . .
H7C_12 H 0.481129 -0.001333 0.949602 0.135 Uiso 1 1 calc R U . . .
C8_12 C 0.5875(4) 0.0145(5) 1.0033(3) 0.091(5) Uani 1 1 d D U . . .
H8A_12 H 0.597914 0.032334 1.010908 0.136 Uiso 1 1 calc R U . . .
H8B_12 H 0.572370 -0.001023 1.019910 0.136 Uiso 1 1 calc R U . . .
H8C_12 H 0.609026 -0.001355 0.992004 0.136 Uiso 1 1 calc R U . . .
S1_13 S 0.60377(15) 0.04216(14) 0.88386(11) 0.0668(12) Uani 1 1 d D U . . .
C1_13 C 0.6365(3) -0.0012(3) 0.8889(3) 0.085(3) Uani 1 1 d D U . . .
C2_13 C 0.6340(4) -0.0211(3) 0.9180(3) 0.096(4) Uani 1 1 d D U . . .
H2_13 H 0.615430 -0.011392 0.934103 0.115 Uiso 1 1 calc R U . . .
C3_13 C 0.6588(4) -0.0555(4) 0.9236(3) 0.096(4) Uani 1 1 d D U . . .
C4_13 C 0.6859(4) -0.0691(4) 0.8995(3) 0.097(4) Uani 1 1 d D U . . .
H4_13 H 0.702369 -0.091932 0.903104 0.116 Uiso 1 1 calc R U . . .
C5_13 C 0.6897(4) -0.0506(4) 0.8702(3) 0.093(4) Uani 1 1 d D U . . .
C6_13 C 0.6644(3) -0.0160(4) 0.8650(3) 0.093(4) Uani 1 1 d D U . . .
H6_13 H 0.666340 -0.003005 0.845349 0.112 Uiso 1 1 calc R U . . .
C7_13 C 0.6545(6) -0.0758(5) 0.9561(3) 0.120(6) Uani 1 1 d D U . . .
H7A_13 H 0.633924 -0.061358 0.969327 0.180 Uiso 1 1 calc R U . . .
H7B_13 H 0.647680 -0.100626 0.957475 0.180 Uiso 1 1 calc R U . . .
H7C_13 H 0.679175 -0.078133 0.961852 0.180 Uiso 1 1 calc R U . . .
C8_13 C 0.7202(5) -0.0666(5) 0.8439(4) 0.107(6) Uani 1 1 d D U . . .
H8A_13 H 0.718450 -0.049890 0.825334 0.161 Uiso 1 1 calc R U . . .
H8B_13 H 0.746381 -0.068773 0.847086 0.161 Uiso 1 1 calc R U . . .
H8C_13 H 0.714933 -0.091281 0.842655 0.161 Uiso 1 1 calc R U . . .
S1_14 S 0.39184(15) 0.13686(15) 0.80355(11) 0.0719(13) Uani 1 1 d D U . . .
C1_14 C 0.3402(3) 0.1323(2) 0.8108(3) 0.098(3) Uani 1 1 d D U . . .
C2_14 C 0.3184(4) 0.1472(3) 0.7896(3) 0.104(4) Uani 1 1 d D U . . .
H2_14 H 0.330550 0.160054 0.771092 0.125 Uiso 1 1 calc R U . . .
C3_14 C 0.2779(4) 0.1435(4) 0.7955(3) 0.108(4) Uani 1 1 d D U . . .
C4_14 C 0.2612(5) 0.1245(3) 0.8232(3) 0.112(4) Uani 1 1 d D U . . .
H4_14 H 0.234490 0.121871 0.827385 0.134 Uiso 1 1 calc R U . . .
C5_14 C 0.2819(4) 0.1090(4) 0.8450(3) 0.108(4) Uani 1 1 d D U . . .
C6_14 C 0.3218(4) 0.1133(3) 0.8384(3) 0.109(4) Uani 1 1 d D U . . .
H6_14 H 0.336442 0.103103 0.852862 0.130 Uiso 1 1 calc R U . . .
C7_14 C 0.2544(6) 0.1604(5) 0.7715(4) 0.123(6) Uani 1 1 d D U . . .
H7A_14 H 0.271499 0.172478 0.753866 0.184 Uiso 1 1 calc R U . . .
H7B_14 H 0.244285 0.140496 0.766083 0.184 Uiso 1 1 calc R U . . .
H7C_14 H 0.232640 0.178851 0.779393 0.184 Uiso 1 1 calc R U . . .
C8_14 C 0.2628(6) 0.0879(5) 0.8755(4) 0.139(7) Uani 1 1 d D U . . .
H8A_14 H 0.282218 0.079398 0.887395 0.208 Uiso 1 1 calc R U . . .
H8B_14 H 0.241220 0.104601 0.885932 0.208 Uiso 1 1 calc R U . . .
H8C_14 H 0.252835 0.066313 0.872527 0.208 Uiso 1 1 calc R U . . .
S1_15 S 0.41279(13) 0.28007(13) 0.78700(10) 0.0551(11) Uani 1 1 d D U . . .
C1_15 C 0.3633(3) 0.26931(19) 0.7938(3) 0.078(3) Uani 1 1 d D U . . .
C2_15 C 0.3457(4) 0.2780(3) 0.7697(3) 0.085(3) Uani 1 1 d D U . . .
H2_15 H 0.359459 0.289010 0.750966 0.102 Uiso 1 1 calc R U . . .
C3_15 C 0.3072(4) 0.2705(3) 0.7732(3) 0.089(3) Uani 1 1 d D U . . .
C4_15 C 0.2882(4) 0.2544(3) 0.8010(3) 0.093(3) Uani 1 1 d D U . . .
H4_15 H 0.262541 0.249226 0.803492 0.111 Uiso 1 1 calc R U . . .
C5_15 C 0.3048(4) 0.2453(3) 0.8256(3) 0.093(3) Uani 1 1 d D U . . .
C6_15 C 0.3436(4) 0.2530(3) 0.8220(3) 0.087(3) Uani 1 1 d D U . . .
H6_15 H 0.355642 0.247313 0.838213 0.105 Uiso 1 1 calc R U . . .
C7_15 C 0.2898(5) 0.2809(5) 0.7455(4) 0.102(5) Uani 1 1 d D U . . .
H7A_15 H 0.308784 0.291879 0.728597 0.153 Uiso 1 1 calc R U . . .
H7B_15 H 0.283390 0.258473 0.740766 0.153 Uiso 1 1 calc R U . . .
H7C_15 H 0.266056 0.299028 0.749599 0.153 Uiso 1 1 calc R U . . .
C8_15 C 0.2824(5) 0.2274(5) 0.8561(4) 0.118(6) Uani 1 1 d D U . . .
H8A_15 H 0.298702 0.223126 0.870371 0.177 Uiso 1 1 calc R U . . .
H8B_15 H 0.258418 0.244083 0.863041 0.177 Uiso 1 1 calc R U . . .
H8C_15 H 0.275749 0.203527 0.854213 0.177 Uiso 1 1 calc R U . . .
S1_16 S 0.48646(14) 0.10251(13) 0.86161(10) 0.0608(12) Uani 1 1 d D U . . .
C1_16 C 0.4849(4) 0.0559(3) 0.85417(11) 0.084(3) Uani 1 1 d D U . . .
C2_16 C 0.4495(5) 0.0467(4) 0.85274(19) 0.089(3) Uani 1 1 d D U . . .
H2_16 H 0.426678 0.064643 0.855566 0.106 Uiso 1 1 calc R U . . .
C3_16 C 0.4474(4) 0.0102(4) 0.8470(2) 0.090(3) Uani 1 1 d D U . . .
C4_16 C 0.4815(4) -0.0150(4) 0.8429(2) 0.095(3) Uani 1 1 d D U . . .
H4_16 H 0.480516 -0.039065 0.839108 0.114 Uiso 1 1 calc R U . . .
C5_16 C 0.5174(4) -0.0068(4) 0.8442(3) 0.094(3) Uani 1 1 d D U . . .
C6_16 C 0.5191(5) 0.0293(4) 0.8499(2) 0.090(3) Uani 1 1 d D U . . .
H6_16 H 0.543122 0.035475 0.850901 0.108 Uiso 1 1 calc R U . . .
C7_16 C 0.4074(5) 0.0011(5) 0.8455(4) 0.096(5) Uani 1 1 d D U . . .
H7A_16 H 0.387437 0.022789 0.848961 0.144 Uiso 1 1 calc R U . . .
H7B_16 H 0.409480 -0.005164 0.825831 0.144 Uiso 1 1 calc R U . . .
H7C_16 H 0.400238 -0.020179 0.860677 0.144 Uiso 1 1 calc R U . . .
C8_16 C 0.5551(5) -0.0351(5) 0.8396(4) 0.125(6) Uani 1 1 d D U . . .
H8A_16 H 0.576723 -0.023701 0.841419 0.187 Uiso 1 1 calc R U . . .
H8B_16 H 0.551679 -0.057226 0.854721 0.187 Uiso 1 1 calc R U . . .
H8C_16 H 0.560833 -0.042275 0.819864 0.187 Uiso 1 1 calc R U . . .
S1_17 S 0.51693(17) 0.29272(14) 0.99777(11) 0.0714(13) Uani 1 1 d D U . . .
C1_17 C 0.5406(5) 0.3230(3) 1.01136(16) 0.094(3) Uani 1 1 d D U . . .
C2_17 C 0.5812(5) 0.3171(4) 1.0086(2) 0.104(4) Uani 1 1 d D U . . .
H2_17 H 0.596758 0.296873 0.999337 0.125 Uiso 1 1 calc R U . . .
C3_17 C 0.5992(5) 0.3415(4) 1.0196(3) 0.106(4) Uani 1 1 d D U . . .
C4_17 C 0.5757(5) 0.3713(4) 1.0330(3) 0.106(4) Uani 1 1 d D U . . .
H4_17 H 0.587354 0.387544 1.040194 0.127 Uiso 1 1 calc R U . . .
C5_17 C 0.5353(5) 0.3776(4) 1.0360(2) 0.103(4) Uani 1 1 d D U . . .
C6_17 C 0.5173(5) 0.3534(3) 1.0251(2) 0.102(4) Uani 1 1 d D U . . .
H6_17 H 0.489971 0.357628 1.026999 0.122 Uiso 1 1 calc R U . . .
C7_17 C 0.6443(5) 0.3352(6) 1.0165(4) 0.127(5) Uani 1 1 d D U . . .
H7A_17 H 0.656109 0.313278 1.006662 0.190 Uiso 1 1 calc R U . . .
H7B_17 H 0.655328 0.357153 1.004575 0.190 Uiso 1 1 calc R U . . .
H7C_17 H 0.649705 0.331085 1.036181 0.190 Uiso 1 1 calc R U . . .
C8_17 C 0.5099(6) 0.4112(4) 1.0512(3) 0.116(5) Uani 1 1 d D U . . .
H8A_17 H 0.482478 0.411653 1.051477 0.174 Uiso 1 1 calc R U . . .
H8B_17 H 0.512821 0.408384 1.071550 0.174 Uiso 1 1 calc R U . . .
H8C_17 H 0.518558 0.434588 1.040004 0.174 Uiso 1 1 calc R U . . .
S1_18 S 0.59289(14) 0.39051(14) 0.76070(10) 0.0621(12) Uani 1 1 d D U . . .
C1_18 C 0.6157(4) 0.4313(3) 0.7594(2) 0.081(3) Uani 1 1 d D U . . .
C2_18 C 0.6540(4) 0.4337(4) 0.7424(2) 0.087(3) Uani 1 1 d D U . . .
H2_18 H 0.667855 0.414122 0.731640 0.104 Uiso 1 1 calc R U . . .
C3_18 C 0.6720(4) 0.4655(4) 0.7412(3) 0.087(3) Uani 1 1 d D U . . .
C4_18 C 0.6513(4) 0.4941(4) 0.7571(3) 0.092(3) Uani 1 1 d D U . . .
H4_18 H 0.663269 0.515255 0.756276 0.110 Uiso 1 1 calc R U . . .
C5_18 C 0.6133(4) 0.4923(4) 0.7742(3) 0.088(3) Uani 1 1 d D U . . .
C6_18 C 0.5955(4) 0.4607(3) 0.7754(3) 0.087(3) Uani 1 1 d D U . . .
H6_18 H 0.569747 0.459151 0.787032 0.105 Uiso 1 1 calc R U . . .
C7_18 C 0.7140(4) 0.4675(6) 0.7224(4) 0.116(6) Uani 1 1 d D U . . .
H7A_18 H 0.723586 0.445022 0.712943 0.174 Uiso 1 1 calc R U . . .
H7B_18 H 0.714108 0.489527 0.707055 0.174 Uiso 1 1 calc R U . . .
H7C_18 H 0.730816 0.469177 0.735165 0.174 Uiso 1 1 calc R U . . .
C8_18 C 0.5911(6) 0.5240(5) 0.7915(4) 0.108(5) Uani 1 1 d D U . . .
H8A_18 H 0.565127 0.518140 0.802122 0.162 Uiso 1 1 calc R U . . .
H8B_18 H 0.605399 0.526957 0.805686 0.162 Uiso 1 1 calc R U . . .
H8C_18 H 0.588635 0.547265 0.777593 0.162 Uiso 1 1 calc R U . . .
S1_19 S 0.71886(13) 0.34269(14) 0.70527(10) 0.0613(12) Uani 1 1 d D U . . .
C1_19 C 0.7711(3) 0.34314(13) 0.6900(3) 0.076(3) Uani 1 1 d D U . . .
C2_19 C 0.7873(4) 0.3435(2) 0.6593(3) 0.082(3) Uani 1 1 d D U . . .
H2_19 H 0.770901 0.343435 0.646614 0.098 Uiso 1 1 calc R U . . .
C3_19 C 0.8286(4) 0.3438(3) 0.6470(3) 0.085(3) Uani 1 1 d D U . . .
C4_19 C 0.8519(4) 0.3438(3) 0.6663(3) 0.084(3) Uani 1 1 d D U . . .
H4_19 H 0.879041 0.344032 0.658539 0.101 Uiso 1 1 calc R U . . .
C5_19 C 0.8366(4) 0.3435(3) 0.6971(3) 0.083(3) Uani 1 1 d D U . . .
C6_19 C 0.7960(3) 0.3432(3) 0.7088(3) 0.081(3) Uani 1 1 d D U . . .
H6_19 H 0.785374 0.342959 0.729463 0.097 Uiso 1 1 calc R U . . .
C7_19 C 0.8457(5) 0.3441(5) 0.6133(3) 0.101(5) Uani 1 1 d D U . . .
H7A_19 H 0.824715 0.344100 0.603636 0.152 Uiso 1 1 calc R U . . .
H7B_19 H 0.858070 0.366543 0.604890 0.152 Uiso 1 1 calc R U . . .
H7C_19 H 0.865077 0.321936 0.610034 0.152 Uiso 1 1 calc R U . . .
C8_19 C 0.8625(5) 0.3435(5) 0.7185(4) 0.098(5) Uani 1 1 d D U . . .
H8A_19 H 0.846356 0.343290 0.738753 0.147 Uiso 1 1 calc R U . . .
H8B_19 H 0.882358 0.321330 0.717715 0.147 Uiso 1 1 calc R U . . .
H8C_19 H 0.875293 0.365937 0.712606 0.147 Uiso 1 1 calc R U . . .
S1_20 S 0.69815(14) 0.24022(14) 0.66844(9) 0.0610(12) Uani 1 1 d D U . . .
C1_20 C 0.7304(2) 0.2333(3) 0.6324(2) 0.073(3) Uani 1 1 d D U . . .
C2_20 C 0.7270(3) 0.2025(3) 0.6201(3) 0.075(3) Uani 1 1 d D U . . .
H2_20 H 0.708439 0.186505 0.630588 0.090 Uiso 1 1 calc R U . . .
C3_20 C 0.7511(3) 0.1952(4) 0.5920(3) 0.077(3) Uani 1 1 d D U . . .
C4_20 C 0.7780(3) 0.2192(4) 0.5772(3) 0.080(3) Uani 1 1 d D U . . .
H4_20 H 0.794178 0.214431 0.558493 0.096 Uiso 1 1 calc R U . . .
C5_20 C 0.7823(3) 0.2498(4) 0.5885(3) 0.079(3) Uani 1 1 d D U . . .
C6_20 C 0.7582(3) 0.2573(4) 0.6167(3) 0.078(3) Uani 1 1 d D U . . .
H6_20 H 0.760736 0.278100 0.624757 0.093 Uiso 1 1 calc R U . . .
C7_20 C 0.7461(5) 0.1607(4) 0.5794(4) 0.089(5) Uani 1 1 d D U . . .
H7A_20 H 0.725614 0.147849 0.593494 0.133 Uiso 1 1 calc R U . . .
H7B_20 H 0.738836 0.169031 0.560410 0.133 Uiso 1 1 calc R U . . .
H7C_20 H 0.770674 0.143566 0.576556 0.133 Uiso 1 1 calc R U . . .
C8_20 C 0.8127(4) 0.2758(5) 0.5712(4) 0.098(5) Uani 1 1 d D U . . .
H8A_20 H 0.811480 0.295651 0.582636 0.147 Uiso 1 1 calc R U . . .
H8B_20 H 0.838849 0.261327 0.568077 0.147 Uiso 1 1 calc R U . . .
H8C_20 H 0.806964 0.286800 0.551983 0.147 Uiso 1 1 calc R U . . .
S1_21 S 0.62853(14) 0.23526(13) 0.61110(9) 0.0584(11) Uani 1 1 d D U . . .
C1_21 C 0.6407(3) 0.2770(3) 0.58495(17) 0.064(3) Uani 1 1 d D U . . .
C2_21 C 0.6144(4) 0.3101(3) 0.5835(2) 0.071(3) Uani 1 1 d D U . . .
H2_21 H 0.589120 0.311571 0.596431 0.085 Uiso 1 1 calc R U . . .
C3_21 C 0.6261(4) 0.3419(4) 0.5623(2) 0.071(3) Uani 1 1 d D U . . .
C4_21 C 0.6638(4) 0.3397(4) 0.5432(3) 0.071(3) Uani 1 1 d D U . . .
H4_21 H 0.671222 0.360965 0.529355 0.085 Uiso 1 1 calc R U . . .
C5_21 C 0.6905(4) 0.3068(4) 0.5443(2) 0.069(3) Uani 1 1 d D U . . .
C6_21 C 0.6784(4) 0.2755(4) 0.5654(2) 0.071(3) Uani 1 1 d D U . . .
H6_21 H 0.696025 0.252928 0.566435 0.086 Uiso 1 1 calc R U . . .
C7_21 C 0.5954(5) 0.3780(4) 0.5618(4) 0.098(5) Uani 1 1 d D U . . .
H7A_21 H 0.571473 0.373315 0.576821 0.146 Uiso 1 1 calc R U . . .
H7B_21 H 0.605848 0.398371 0.566242 0.146 Uiso 1 1 calc R U . . .
H7C_21 H 0.589732 0.384755 0.542189 0.146 Uiso 1 1 calc R U . . .
C8_21 C 0.7318(4) 0.3027(5) 0.5239(3) 0.081(4) Uani 1 1 d D U . . .
H8A_21 H 0.745190 0.277402 0.528511 0.121 Uiso 1 1 calc R U . . .
H8B_21 H 0.730057 0.307229 0.503138 0.121 Uiso 1 1 calc R U . . .
H8C_21 H 0.746385 0.320806 0.527096 0.121 Uiso 1 1 calc R U . . .
S1_22 S 0.59668(13) 0.20262(12) 0.69929(9) 0.0507(10) Uani 1 1 d D U . . .
C1_22 C 0.6329(3) 0.1639(2) 0.6866(2) 0.063(3) Uani 1 1 d D U . . .
C2_22 C 0.6644(3) 0.1487(3) 0.6999(3) 0.067(3) Uani 1 1 d D U . . .
H2_22 H 0.666853 0.158975 0.716145 0.081 Uiso 1 1 calc R U . . .
C3_22 C 0.6929(4) 0.1183(3) 0.6898(3) 0.071(3) Uani 1 1 d D U . . .
C4_22 C 0.6886(4) 0.1034(4) 0.6657(3) 0.075(3) Uani 1 1 d D U . . .
H4_22 H 0.707003 0.083165 0.658635 0.090 Uiso 1 1 calc R U . . .
C5_22 C 0.6575(4) 0.1179(3) 0.6520(3) 0.071(3) Uani 1 1 d D U . . .
C6_22 C 0.6290(4) 0.1484(3) 0.6622(2) 0.068(3) Uani 1 1 d D U . . .
H6_22 H 0.608014 0.158094 0.652939 0.081 Uiso 1 1 calc R U . . .
C7_22 C 0.7263(4) 0.1035(5) 0.7059(3) 0.085(4) Uani 1 1 d D U . . .
H7A_22 H 0.723396 0.118047 0.721884 0.127 Uiso 1 1 calc R U . . .
H7B_22 H 0.725270 0.077218 0.714386 0.127 Uiso 1 1 calc R U . . .
H7C_22 H 0.751446 0.105933 0.691786 0.127 Uiso 1 1 calc R U . . .
C8_22 C 0.6525(5) 0.1017(5) 0.6255(3) 0.084(4) Uani 1 1 d D U . . .
H8A_22 H 0.629377 0.115447 0.619049 0.127 Uiso 1 1 calc R U . . .
H8B_22 H 0.675586 0.104208 0.609041 0.127 Uiso 1 1 calc R U . . .
H8C_22 H 0.649569 0.075347 0.631617 0.127 Uiso 1 1 calc R U . . .
S1_23 S 0.51951(13) 0.27151(12) 0.70140(9) 0.0495(10) Uani 1 1 d D U . . .
C1_23 C 0.4826(3) 0.3073(2) 0.6891(3) 0.058(3) Uani 1 1 d D U . . .
C2_23 C 0.4864(4) 0.3169(3) 0.6581(3) 0.065(3) Uani 1 1 d D U . . .
H2_23 H 0.507571 0.304884 0.644745 0.078 Uiso 1 1 calc R U . . .
C3_23 C 0.4585(4) 0.3448(3) 0.6470(3) 0.066(3) Uani 1 1 d D U . . .
C4_23 C 0.4274(4) 0.3622(3) 0.6671(3) 0.072(3) Uani 1 1 d D U . . .
H4_23 H 0.408850 0.380699 0.659518 0.087 Uiso 1 1 calc R U . . .
C5_23 C 0.4229(4) 0.3533(3) 0.6977(3) 0.071(3) Uani 1 1 d D U . . .
C6_23 C 0.4514(3) 0.3250(3) 0.7089(3) 0.066(3) Uani 1 1 d D U . . .
H6_23 H 0.448956 0.318429 0.729656 0.080 Uiso 1 1 calc R U . . .
C7_23 C 0.4636(5) 0.3546(5) 0.6130(3) 0.080(4) Uani 1 1 d D U . . .
H7A_23 H 0.486998 0.339311 0.603056 0.119 Uiso 1 1 calc R U . . .
H7B_23 H 0.440776 0.349550 0.607590 0.119 Uiso 1 1 calc R U . . .
H7C_23 H 0.466331 0.381000 0.606752 0.119 Uiso 1 1 calc R U . . .
C8_23 C 0.3884(4) 0.3730(4) 0.7197(4) 0.090(5) Uani 1 1 d D U . . .
H8A_23 H 0.390250 0.362987 0.740100 0.135 Uiso 1 1 calc R U . . .
H8B_23 H 0.389421 0.399840 0.715971 0.135 Uiso 1 1 calc R U . . .
H8C_23 H 0.363714 0.368514 0.716815 0.135 Uiso 1 1 calc R U . . .
S1_24 S 0.42075(14) 0.23197(13) 0.72234(10) 0.0593(11) Uani 1 1 d D U . . .
C1_24 C 0.3906(2) 0.2324(3) 0.6970(2) 0.063(3) Uani 1 1 d D U . . .
C2_24 C 0.3672(3) 0.2045(3) 0.6997(3) 0.065(3) Uani 1 1 d D U . . .
H2_24 H 0.366728 0.184084 0.715369 0.078 Uiso 1 1 calc R U . . .
C3_24 C 0.3444(3) 0.2072(3) 0.6785(3) 0.068(3) Uani 1 1 d D U . . .
C4_24 C 0.3450(3) 0.2375(3) 0.6550(3) 0.071(3) Uani 1 1 d D U . . .
H4_24 H 0.329792 0.238939 0.641110 0.085 Uiso 1 1 calc R U . . .
C5_24 C 0.3679(3) 0.2652(3) 0.6521(3) 0.067(3) Uani 1 1 d D U . . .
C6_24 C 0.3907(3) 0.2627(3) 0.6730(2) 0.067(3) Uani 1 1 d D U . . .
H6_24 H 0.406355 0.281557 0.671026 0.080 Uiso 1 1 calc R U . . .
C7_24 C 0.3187(4) 0.1767(4) 0.6813(4) 0.085(4) Uani 1 1 d D U . . .
H7A_24 H 0.321473 0.157879 0.698566 0.127 Uiso 1 1 calc R U . . .
H7B_24 H 0.291386 0.188127 0.683689 0.127 Uiso 1 1 calc R U . . .
H7C_24 H 0.327036 0.164903 0.663324 0.127 Uiso 1 1 calc R U . . .
C8_24 C 0.3681(5) 0.2980(4) 0.6263(3) 0.086(5) Uani 1 1 d D U . . .
H8A_24 H 0.385494 0.314879 0.627440 0.129 Uiso 1 1 calc R U . . .
H8B_24 H 0.377237 0.288419 0.607360 0.129 Uiso 1 1 calc R U . . .
H8C_24 H 0.341639 0.311584 0.627815 0.129 Uiso 1 1 calc R U . . .
S1_25 S 0.49433(14) 0.23084(13) 0.63556(9) 0.0575(11) Uani 1 1 d D U . . .
C1_25 C 0.4902(4) 0.1879(3) 0.62354(16) 0.064(3) Uani 1 1 d D U . . .
C2_25 C 0.5225(4) 0.1670(3) 0.6070(2) 0.070(3) Uani 1 1 d D U . . .
H2_25 H 0.547144 0.175382 0.601930 0.084 Uiso 1 1 calc R U . . .
C3_25 C 0.5192(4) 0.1334(3) 0.5976(2) 0.073(3) Uani 1 1 d D U . . .
C4_25 C 0.4827(4) 0.1221(4) 0.6055(2) 0.074(3) Uani 1 1 d D U . . .
H4_25 H 0.479908 0.099866 0.599492 0.089 Uiso 1 1 calc R U . . .
C5_25 C 0.4499(4) 0.1420(3) 0.6219(2) 0.073(3) Uani 1 1 d D U . . .
C6_25 C 0.4534(4) 0.1756(3) 0.6312(2) 0.072(3) Uani 1 1 d D U . . .
H6_25 H 0.431310 0.189462 0.642384 0.087 Uiso 1 1 calc R U . . .
C7_25 C 0.5562(5) 0.1114(5) 0.5792(3) 0.093(5) Uani 1 1 d D U . . .
H7A_25 H 0.578652 0.124395 0.576216 0.139 Uiso 1 1 calc R U . . .
H7B_25 H 0.561326 0.086245 0.589982 0.139 Uiso 1 1 calc R U . . .
H7C_25 H 0.551877 0.109782 0.559918 0.139 Uiso 1 1 calc R U . . .
C8_25 C 0.4089(4) 0.1292(5) 0.6307(4) 0.085(5) Uani 1 1 d D U . . .
H8A_25 H 0.389988 0.146945 0.642090 0.128 Uiso 1 1 calc R U . . .
H8B_25 H 0.400744 0.128099 0.612642 0.128 Uiso 1 1 calc R U . . .
H8C_25 H 0.410086 0.104405 0.642691 0.128 Uiso 1 1 calc R U . . .
S1_26 S 0.52416(14) 0.14794(13) 0.70993(10) 0.0577(11) Uani 1 1 d D U . . .
C1_26 C 0.4957(4) 0.1155(2) 0.70331(19) 0.069(3) Uani 1 1 d D U . . .
C2_26 C 0.5158(4) 0.0895(3) 0.6839(2) 0.072(3) Uani 1 1 d D U . . .
H2_26 H 0.542806 0.089404 0.675048 0.086 Uiso 1 1 calc R U . . .
C3_26 C 0.4948(4) 0.0632(3) 0.6779(2) 0.075(3) Uani 1 1 d D U . . .
C4_26 C 0.4553(4) 0.0633(3) 0.6910(2) 0.075(3) Uani 1 1 d D U . . .
H4_26 H 0.441847 0.045868 0.686896 0.090 Uiso 1 1 calc R U . . .
C5_26 C 0.4350(4) 0.0890(3) 0.7102(3) 0.074(3) Uani 1 1 d D U . . .
C6_26 C 0.4555(4) 0.1158(3) 0.7165(3) 0.073(3) Uani 1 1 d D U . . .
H6_26 H 0.442047 0.133354 0.729382 0.088 Uiso 1 1 calc R U . . .
C7_26 C 0.5184(5) 0.0354(4) 0.6565(3) 0.086(5) Uani 1 1 d D U . . .
H7A_26 H 0.545503 0.040004 0.649786 0.128 Uiso 1 1 calc R U . . .
H7B_26 H 0.517462 0.009807 0.666908 0.128 Uiso 1 1 calc R U . . .
H7C_26 H 0.506998 0.038783 0.639310 0.128 Uiso 1 1 calc R U . . .
C8_26 C 0.3913(4) 0.0887(5) 0.7244(4) 0.094(5) Uani 1 1 d D U . . .
H8A_26 H 0.381708 0.108152 0.737064 0.141 Uiso 1 1 calc R U . . .
H8B_26 H 0.376958 0.093330 0.708743 0.141 Uiso 1 1 calc R U . . .
H8C_26 H 0.387303 0.064305 0.736355 0.141 Uiso 1 1 calc R U . . .
S1_27 S 0.63855(14) 0.08607(13) 0.78135(10) 0.0606(11) Uani 1 1 d D U . . .
C1_27 C 0.6078(4) 0.06842(17) 0.7637(2) 0.072(3) Uani 1 1 d D U . . .
C2_27 C 0.5669(4) 0.0705(3) 0.7752(3) 0.074(3) Uani 1 1 d D U . . .
H2_27 H 0.554672 0.081327 0.792601 0.089 Uiso 1 1 calc R U . . .
C3_27 C 0.5441(4) 0.0560(3) 0.7602(3) 0.075(3) Uani 1 1 d D U . . .
C4_27 C 0.5637(4) 0.0404(3) 0.7347(2) 0.079(3) Uani 1 1 d D U . . .
H4_27 H 0.548675 0.030894 0.724789 0.095 Uiso 1 1 calc R U . . .
C5_27 C 0.6039(4) 0.0378(3) 0.7226(3) 0.080(3) Uani 1 1 d D U . . .
C6_27 C 0.6262(4) 0.0522(3) 0.7377(3) 0.078(3) Uani 1 1 d D U . . .
H6_27 H 0.653544 0.050999 0.730186 0.094 Uiso 1 1 calc R U . . .
C7_27 C 0.4991(4) 0.0577(4) 0.7721(4) 0.084(4) Uani 1 1 d D U . . .
H7A_27 H 0.490609 0.069496 0.790023 0.127 Uiso 1 1 calc R U . . .
H7B_27 H 0.485962 0.072206 0.756912 0.127 Uiso 1 1 calc R U . . .
H7C_27 H 0.492380 0.032318 0.776772 0.127 Uiso 1 1 calc R U . . .
C8_27 C 0.6234(6) 0.0201(4) 0.6944(3) 0.098(5) Uani 1 1 d D U . . .
H8A_27 H 0.651454 0.020801 0.689444 0.146 Uiso 1 1 calc R U . . .
H8B_27 H 0.618618 -0.005847 0.697809 0.146 Uiso 1 1 calc R U . . .
H8C_27 H 0.612330 0.034046 0.677928 0.146 Uiso 1 1 calc R U . . .
S1_28 S 0.58801(16) 0.33998(16) 0.90959(11) 0.0769(14) Uani 1 1 d D U . . .
C1_28 C 0.57503(19) 0.3893(3) 0.9150(3) 0.108(3) Uani 1 1 d D U . . .
C2_28 C 0.5605(3) 0.3997(5) 0.9436(4) 0.124(4) Uani 1 1 d D U . . .
H2_28 H 0.557337 0.380907 0.960454 0.149 Uiso 1 1 calc R U . . .
C3_28 C 0.5505(4) 0.4382(5) 0.9475(3) 0.126(4) Uani 1 1 d D U . . .
C4_28 C 0.5554(4) 0.4659(5) 0.9225(3) 0.126(4) Uani 1 1 d D U . . .
H4_28 H 0.548900 0.491463 0.924867 0.151 Uiso 1 1 calc R U . . .
C5_28 C 0.5696(4) 0.4562(4) 0.8941(3) 0.118(4) Uani 1 1 d D U . . .
C6_28 C 0.5793(3) 0.4179(4) 0.8904(4) 0.113(4) Uani 1 1 d D U . . .
H6_28 H 0.588908 0.411527 0.870980 0.136 Uiso 1 1 calc R U . . .
C7_28 C 0.5346(6) 0.4488(6) 0.9793(3) 0.157(6) Uani 1 1 d D U . . .
H7A_28 H 0.533159 0.425994 0.993846 0.236 Uiso 1 1 calc R U . . .
H7B_28 H 0.552014 0.463718 0.983078 0.236 Uiso 1 1 calc R U . . .
H7C_28 H 0.508507 0.463215 0.980833 0.236 Uiso 1 1 calc R U . . .
C8_28 C 0.5739(6) 0.4885(5) 0.8679(4) 0.122(6) Uani 1 1 d D U . . .
H8A_28 H 0.584057 0.478305 0.849189 0.183 Uiso 1 1 calc R U . . .
H8B_28 H 0.548360 0.503505 0.867814 0.183 Uiso 1 1 calc R U . . .
H8C_28 H 0.591883 0.504097 0.869975 0.183 Uiso 1 1 calc R U . . .
S1_29 S 0.46352(15) 0.35560(14) 0.93115(10) 0.0661(12) Uani 1 1 d D U . . .
C1_29 C 0.4449(2) 0.3817(4) 0.9623(3) 0.112(4) Uani 1 1 d D U . . .
C2_29 C 0.4464(3) 0.4195(4) 0.9609(4) 0.122(4) Uani 1 1 d D U . . .
H2_29 H 0.457737 0.434020 0.942833 0.147 Uiso 1 1 calc R U . . .
C3_29 C 0.4302(4) 0.4359(4) 0.9877(4) 0.127(4) Uani 1 1 d D U . . .
C4_29 C 0.4138(4) 0.4141(5) 1.0140(4) 0.127(4) Uani 1 1 d D U . . .
H4_29 H 0.403443 0.425622 1.031291 0.153 Uiso 1 1 calc R U . . .
C5_29 C 0.4117(4) 0.3763(5) 1.0162(3) 0.121(4) Uani 1 1 d D U . . .
C6_29 C 0.4277(3) 0.3609(5) 0.9898(3) 0.118(4) Uani 1 1 d D U . . .
H6_29 H 0.427002 0.335200 0.990428 0.142 Uiso 1 1 calc R U . . .
C7_29 C 0.4320(6) 0.4782(5) 0.9860(5) 0.152(6) Uani 1 1 d D U . . .
H7A_29 H 0.444584 0.488339 0.965689 0.228 Uiso 1 1 calc R U . . .
H7B_29 H 0.405573 0.491537 0.991495 0.228 Uiso 1 1 calc R U . . .
H7C_29 H 0.447109 0.481183 0.999647 0.228 Uiso 1 1 calc R U . . .
C8_29 C 0.3934(6) 0.3523(6) 1.0456(4) 0.139(7) Uani 1 1 d D U . . .
H8A_29 H 0.394945 0.326678 1.042231 0.208 Uiso 1 1 calc R U . . .
H8B_29 H 0.407584 0.352394 1.060677 0.208 Uiso 1 1 calc R U . . .
H8C_29 H 0.366012 0.362756 1.052583 0.208 Uiso 1 1 calc R U . . .
S1_30 S 0.59605(19) 0.17751(15) 0.99999(10) 0.0813(15) Uani 1 1 d D U . . .
C1_30 C 0.5700(5) 0.1420(3) 1.02524(17) 0.105(4) Uani 1 1 d D U . . .
C2_30 C 0.5914(6) 0.1101(4) 1.0384(2) 0.110(4) Uani 1 1 d D U . . .
H2_30 H 0.619000 0.107428 1.034029 0.132 Uiso 1 1 calc R U . . .
C3_30 C 0.5713(6) 0.0821(4) 1.0583(3) 0.113(4) Uani 1 1 d D U . . .
C4_30 C 0.5308(5) 0.0863(4) 1.0647(3) 0.117(4) Uani 1 1 d D U . . .
H4_30 H 0.517611 0.067433 1.077977 0.141 Uiso 1 1 calc R U . . .
C5_30 C 0.5090(5) 0.1176(4) 1.0519(3) 0.114(4) Uani 1 1 d D U . . .
C6_30 C 0.5291(5) 0.1460(4) 1.0317(3) 0.111(4) Uani 1 1 d D U . . .
H6_30 H 0.514806 0.167366 1.022772 0.133 Uiso 1 1 calc R U . . .
C7_30 C 0.5972(7) 0.0482(5) 1.0715(4) 0.131(6) Uani 1 1 d D U . . .
H7A_30 H 0.624622 0.051479 1.063813 0.196 Uiso 1 1 calc R U . . .
H7B_30 H 0.590458 0.046319 1.093196 0.196 Uiso 1 1 calc R U . . .
H7C_30 H 0.592845 0.025378 1.065989 0.196 Uiso 1 1 calc R U . . .
C8_30 C 0.4640(5) 0.1214(6) 1.0592(4) 0.131(6) Uani 1 1 d D U . . .
H8A_30 H 0.453610 0.144822 1.048457 0.196 Uiso 1 1 calc R U . . .
H8B_30 H 0.456342 0.100411 1.053333 0.196 Uiso 1 1 calc R U . . .
H8C_30 H 0.453716 0.121300 1.080619 0.196 Uiso 1 1 calc R U . . .
S1_31 S 0.65237(16) 0.12483(14) 0.92455(11) 0.0696(13) Uani 1 1 d D U . . .
C1_31 C 0.67314(19) 0.0988(4) 0.9548(2) 0.105(3) Uani 1 1 d D U . . .
C2_31 C 0.6850(3) 0.1195(5) 0.9725(3) 0.115(4) Uani 1 1 d D U . . .
H2_31 H 0.681823 0.145938 0.968062 0.138 Uiso 1 1 calc R U . . .
C3_31 C 0.7016(4) 0.1014(5) 0.9968(3) 0.118(4) Uani 1 1 d D U . . .
C4_31 C 0.7054(4) 0.0627(5) 1.0019(3) 0.120(4) Uani 1 1 d D U . . .
H4_31 H 0.716301 0.049984 1.017963 0.144 Uiso 1 1 calc R U . . .
C5_31 C 0.6942(4) 0.0413(4) 0.9852(3) 0.115(4) Uani 1 1 d D U . . .
C6_31 C 0.6774(3) 0.0596(4) 0.9608(3) 0.110(4) Uani 1 1 d D U . . .
H6_31 H 0.669349 0.045654 0.949104 0.132 Uiso 1 1 calc R U . . .
C7_31 C 0.7141(6) 0.1257(6) 1.0153(4) 0.134(5) Uani 1 1 d D U . . .
H7A_31 H 0.708452 0.152061 1.007261 0.201 Uiso 1 1 calc R U . . .
H7B_31 H 0.699564 0.121178 1.035999 0.201 Uiso 1 1 calc R U . . .
H7C_31 H 0.742053 0.118996 1.014165 0.201 Uiso 1 1 calc R U . . .
C8_31 C 0.6998(6) -0.0017(5) 0.9930(5) 0.127(6) Uani 1 1 d D U . . .
H8A_31 H 0.690542 -0.012412 0.979174 0.190 Uiso 1 1 calc R U . . .
H8B_31 H 0.727533 -0.011049 0.991514 0.190 Uiso 1 1 calc R U . . .
H8C_31 H 0.685009 -0.008908 1.013298 0.190 Uiso 1 1 calc R U . . .
S1_32 S 0.36986(15) 0.12814(13) 0.38337(11) 0.0653(12) Uani 1 1 d D U . . .
C1_32 C 0.3442(3) 0.0890(3) 0.4037(2) 0.082(3) Uani 1 1 d D U . . .
C2_32 C 0.3574(4) 0.0531(3) 0.3961(3) 0.087(3) Uani 1 1 d D U . . .
H2_32 H 0.379694 0.048993 0.380358 0.105 Uiso 1 1 calc R U . . .
C3_32 C 0.3372(4) 0.0225(4) 0.4122(3) 0.089(3) Uani 1 1 d D U . . .
C4_32 C 0.3045(4) 0.0296(4) 0.4351(3) 0.094(3) Uani 1 1 d D U . . .
H4_32 H 0.291030 0.009464 0.445565 0.113 Uiso 1 1 calc R U . . .
C5_32 C 0.2904(4) 0.0653(4) 0.4434(3) 0.096(4) Uani 1 1 d D U . . .
C6_32 C 0.3110(3) 0.0953(4) 0.4271(3) 0.091(3) Uani 1 1 d D U . . .
H6_32 H 0.302370 0.119686 0.432089 0.110 Uiso 1 1 calc R U . . .
C7_32 C 0.3514(5) -0.0170(4) 0.4040(4) 0.098(5) Uani 1 1 d D U . . .
H7A_32 H 0.374579 -0.016540 0.387489 0.147 Uiso 1 1 calc R U . . .
H7B_32 H 0.357908 -0.034038 0.421192 0.147 Uiso 1 1 calc R U . . .
H7C_32 H 0.330785 -0.025582 0.398085 0.147 Uiso 1 1 calc R U . . .
C8_32 C 0.2539(5) 0.0725(6) 0.4691(4) 0.116(6) Uani 1 1 d D U . . .
H8A_32 H 0.249090 0.098952 0.471294 0.173 Uiso 1 1 calc R U . . .
H8B_32 H 0.231230 0.065839 0.464604 0.173 Uiso 1 1 calc R U . . .
H8C_32 H 0.258460 0.057330 0.487637 0.173 Uiso 1 1 calc R U . . .
S1_33 S 0.38735(17) 0.18314(15) 0.46027(11) 0.0828(15) Uani 1 1 d D U . . .
C1_33 C 0.3494(3) 0.1787(2) 0.4941(3) 0.115(4) Uani 1 1 d D U . . .
C2_33 C 0.3541(5) 0.1917(3) 0.5191(3) 0.123(4) Uani 1 1 d D U . . .
H2_33 H 0.376699 0.202359 0.517728 0.147 Uiso 1 1 calc R U . . .
C3_33 C 0.3246(5) 0.1889(4) 0.5466(3) 0.125(4) Uani 1 1 d D U . . .
C4_33 C 0.2917(5) 0.1729(3) 0.5477(4) 0.125(4) Uani 1 1 d D U . . .
H4_33 H 0.272120 0.170794 0.565623 0.150 Uiso 1 1 calc R U . . .
C5_33 C 0.2870(4) 0.1601(4) 0.5230(4) 0.123(4) Uani 1 1 d D U . . .
C6_33 C 0.3161(4) 0.1628(3) 0.4955(3) 0.119(4) Uani 1 1 d D U . . .
H6_33 H 0.312929 0.154187 0.478722 0.143 Uiso 1 1 calc R U . . .
C7_33 C 0.3331(6) 0.2041(5) 0.5725(4) 0.134(6) Uani 1 1 d D U . . .
H7A_33 H 0.358108 0.213691 0.565655 0.201 Uiso 1 1 calc R U . . .
H7B_33 H 0.312337 0.224282 0.578764 0.201 Uiso 1 1 calc R U . . .
H7C_33 H 0.334205 0.183996 0.589209 0.201 Uiso 1 1 calc R U . . .
C8_33 C 0.2522(5) 0.1427(5) 0.5225(5) 0.141(6) Uani 1 1 d D U . . .
H8A_33 H 0.255560 0.135923 0.502870 0.211 Uiso 1 1 calc R U . . .
H8B_33 H 0.250146 0.120259 0.537485 0.211 Uiso 1 1 calc R U . . .
H8C_33 H 0.228429 0.160593 0.526976 0.211 Uiso 1 1 calc R U . . .
S1_34 S 0.34173(18) 0.28667(18) 0.48439(14) 0.0999(18) Uani 1 1 d D U . . .
C1_34 C 0.2943(4) 0.2956(3) 0.4770(3) 0.137(4) Uani 1 1 d D U . . .
C2_34 C 0.2874(5) 0.3199(4) 0.4514(3) 0.146(5) Uani 1 1 d D U . . .
H2_34 H 0.307368 0.332060 0.437713 0.176 Uiso 1 1 calc R U . . .
C3_34 C 0.2478(5) 0.3255(4) 0.4472(4) 0.149(5) Uani 1 1 d D U . . .
C4_34 C 0.2191(5) 0.3071(4) 0.4679(4) 0.152(5) Uani 1 1 d D U . . .
H4_34 H 0.193619 0.311239 0.464548 0.183 Uiso 1 1 calc R U . . .
C5_34 C 0.2261(5) 0.2829(4) 0.4933(4) 0.149(5) Uani 1 1 d D U . . .
C6_34 C 0.2644(5) 0.2768(4) 0.4982(4) 0.145(5) Uani 1 1 d D U . . .
H6_34 H 0.270171 0.260693 0.515213 0.174 Uiso 1 1 calc R U . . .
C7_34 C 0.2408(7) 0.3527(5) 0.4187(4) 0.166(7) Uani 1 1 d D U . . .
H7A_34 H 0.265093 0.362095 0.407698 0.249 Uiso 1 1 calc R U . . .
H7B_34 H 0.232141 0.339330 0.406169 0.249 Uiso 1 1 calc R U . . .
H7C_34 H 0.220757 0.373610 0.424472 0.249 Uiso 1 1 calc R U . . .
C8_34 C 0.1925(6) 0.2635(6) 0.5155(5) 0.169(7) Uani 1 1 d D U . . .
H8A_34 H 0.202447 0.247655 0.531875 0.254 Uiso 1 1 calc R U . . .
H8B_34 H 0.171342 0.282431 0.523440 0.254 Uiso 1 1 calc R U . . .
H8C_34 H 0.182616 0.248074 0.505222 0.254 Uiso 1 1 calc R U . . .
S1_35 S 0.36181(15) 0.27158(15) 0.39014(13) 0.0772(14) Uani 1 1 d D U . . .
C1_35 C 0.3230(3) 0.2445(2) 0.3935(3) 0.098(3) Uani 1 1 d D U . . .
C2_35 C 0.3203(4) 0.2318(3) 0.3682(4) 0.106(4) Uani 1 1 d D U . . .
H2_35 H 0.338476 0.237509 0.349908 0.127 Uiso 1 1 calc R U . . .
C3_35 C 0.2905(4) 0.2104(4) 0.3693(4) 0.107(4) Uani 1 1 d D U . . .
C4_35 C 0.2642(4) 0.2024(4) 0.3959(4) 0.111(4) Uani 1 1 d D U . . .
H4_35 H 0.244462 0.188208 0.396601 0.133 Uiso 1 1 calc R U . . .
C5_35 C 0.2654(4) 0.2144(4) 0.4224(4) 0.111(4) Uani 1 1 d D U . . .
C6_35 C 0.2956(4) 0.2358(3) 0.4207(4) 0.108(4) Uani 1 1 d D U . . .
H6_35 H 0.297211 0.244193 0.438048 0.130 Uiso 1 1 calc R U . . .
C7_35 C 0.2909(6) 0.1984(6) 0.3399(4) 0.122(5) Uani 1 1 d D U . . .
H7A_35 H 0.312451 0.207605 0.324375 0.183 Uiso 1 1 calc R U . . .
H7B_35 H 0.294296 0.171086 0.342241 0.183 Uiso 1 1 calc R U . . .
H7C_35 H 0.266198 0.208672 0.334391 0.183 Uiso 1 1 calc R U . . .
C8_35 C 0.2343(5) 0.2039(6) 0.4519(4) 0.128(6) Uani 1 1 d D U . . .
H8A_35 H 0.239162 0.214257 0.467961 0.192 Uiso 1 1 calc R U . . .
H8B_35 H 0.208167 0.214325 0.449112 0.192 Uiso 1 1 calc R U . . .
H8C_35 H 0.236321 0.176764 0.456928 0.192 Uiso 1 1 calc R U . . .
S1_36 S 0.49791(14) 0.07183(13) 0.34536(9) 0.0596(11) Uani 1 1 d D U . . .
C1_36 C 0.5008(4) 0.06095(17) 0.3085(2) 0.065(3) Uani 1 1 d D U . . .
C2_36 C 0.4677(4) 0.0682(2) 0.2962(3) 0.066(3) Uani 1 1 d D U . . .
H2_36 H 0.443173 0.078938 0.306989 0.079 Uiso 1 1 calc R U . . .
C3_36 C 0.4718(4) 0.0590(3) 0.2672(3) 0.069(3) Uani 1 1 d D U . . .
C4_36 C 0.5080(4) 0.0431(3) 0.2519(3) 0.067(3) Uani 1 1 d D U . . .
H4_36 H 0.510239 0.036959 0.232849 0.081 Uiso 1 1 calc R U . . .
C5_36 C 0.5412(4) 0.0358(3) 0.2635(3) 0.067(3) Uani 1 1 d D U . . .
C6_36 C 0.5377(4) 0.0451(3) 0.2924(2) 0.066(3) Uani 1 1 d D U . . .
H6_36 H 0.559744 0.040656 0.300722 0.079 Uiso 1 1 calc R U . . .
C7_36 C 0.4347(4) 0.0674(4) 0.2544(4) 0.084(4) Uani 1 1 d D U . . .
H7A_36 H 0.412593 0.078527 0.268689 0.126 Uiso 1 1 calc R U . . .
H7B_36 H 0.439418 0.084843 0.235758 0.126 Uiso 1 1 calc R U . . .
H7C_36 H 0.428865 0.044176 0.250585 0.126 Uiso 1 1 calc R U . . .
C8_36 C 0.5807(4) 0.0184(4) 0.2457(4) 0.082(5) Uani 1 1 d D U . . .
H8A_36 H 0.600385 0.015321 0.257172 0.123 Uiso 1 1 calc R U . . .
H8B_36 H 0.578172 -0.006043 0.241738 0.123 Uiso 1 1 calc R U . . .
H8C_36 H 0.588498 0.034688 0.226877 0.123 Uiso 1 1 calc R U . . .
S1_37 S 0.4226(2) 0.2049(2) 0.29479(16) 0.0692(18) Uani 0.688(7) 1 d D U P B 1
C1_37 C 0.3984(3) 0.1800(3) 0.2775(4) 0.082(3) Uani 0.688(7) 1 d D U P B 1
C2_37 C 0.3773(4) 0.1513(4) 0.2956(4) 0.086(3) Uani 0.688(7) 1 d D U P B 1
H2_37 H 0.376389 0.145769 0.316250 0.103 Uiso 0.688(7) 1 calc R U P B 1
C3_37 C 0.3575(5) 0.1306(5) 0.2826(4) 0.087(3) Uani 0.688(7) 1 d D U P B 1
C4_37 C 0.3599(5) 0.1400(5) 0.2518(4) 0.089(3) Uani 0.688(7) 1 d D U P B 1
H4_37 H 0.347066 0.126746 0.242814 0.107 Uiso 0.688(7) 1 calc R U P B 1
C5_37 C 0.3810(5) 0.1688(5) 0.2335(4) 0.086(3) Uani 0.688(7) 1 d D U P B 1
C6_37 C 0.4009(4) 0.1896(5) 0.2465(4) 0.085(3) Uani 0.688(7) 1 d D U P B 1
H6_37 H 0.415089 0.208706 0.234779 0.102 Uiso 0.688(7) 1 calc R U P B 1
C7_37 C 0.3340(7) 0.0988(6) 0.3024(5) 0.089(5) Uani 0.688(7) 1 d D U P B 1
H7A_37 H 0.335864 0.096554 0.322989 0.134 Uiso 0.688(7) 1 calc R U P B 1
H7B_37 H 0.306646 0.105031 0.301438 0.134 Uiso 0.688(7) 1 calc R U P B 1
H7C_37 H 0.345065 0.075072 0.295034 0.134 Uiso 0.688(7) 1 calc R U P B 1
C8_37 C 0.3829(7) 0.1785(7) 0.1997(4) 0.094(5) Uani 0.688(7) 1 d D U P B 1
H8A_37 H 0.398499 0.198696 0.191009 0.141 Uiso 0.688(7) 1 calc R U P B 1
H8B_37 H 0.394931 0.156415 0.190143 0.141 Uiso 0.688(7) 1 calc R U P B 1
H8C_37 H 0.356505 0.186346 0.196638 0.141 Uiso 0.688(7) 1 calc R U P B 1
S1_38 S 0.50071(17) 0.22315(14) 0.19206(10) 0.0737(13) Uani 1 1 d D U . . .
C1_38 C 0.4924(2) 0.2442(4) 0.1557(2) 0.090(3) Uani 1 1 d D U . . .
C2_38 C 0.4743(3) 0.2813(4) 0.1504(3) 0.098(4) Uani 1 1 d D U . . .
H2_38 H 0.465989 0.296173 0.165810 0.117 Uiso 1 1 calc R U . . .
C3_38 C 0.4685(4) 0.2963(4) 0.1209(3) 0.100(4) Uani 1 1 d D U . . .
C4_38 C 0.4809(4) 0.2739(4) 0.0985(3) 0.102(4) Uani 1 1 d D U . . .
H4_38 H 0.477009 0.283910 0.079282 0.122 Uiso 1 1 calc R U . . .
C5_38 C 0.4987(4) 0.2373(4) 0.1039(3) 0.100(4) Uani 1 1 d D U . . .
C6_38 C 0.5047(3) 0.2221(5) 0.1325(3) 0.098(3) Uani 1 1 d D U . . .
H6_38 H 0.517063 0.197203 0.136176 0.118 Uiso 1 1 calc R U . . .
C7_38 C 0.4485(5) 0.3370(4) 0.1158(4) 0.118(6) Uani 1 1 d D U . . .
H7A_38 H 0.442279 0.347579 0.134244 0.176 Uiso 1 1 calc R U . . .
H7B_38 H 0.466149 0.351667 0.100319 0.176 Uiso 1 1 calc R U . . .
H7C_38 H 0.424541 0.337602 0.109500 0.176 Uiso 1 1 calc R U . . .
C8_38 C 0.5127(5) 0.2121(6) 0.0792(4) 0.118(6) Uani 1 1 d D U . . .
H8A_38 H 0.524410 0.187456 0.087251 0.177 Uiso 1 1 calc R U . . .
H8B_38 H 0.490343 0.209460 0.071874 0.177 Uiso 1 1 calc R U . . .
H8C_38 H 0.531980 0.223460 0.062757 0.177 Uiso 1 1 calc R U . . .
S1_39 S 0.45325(17) 0.31292(14) 0.25670(11) 0.0730(13) Uani 1 1 d D U . . .
C1_39 C 0.4008(3) 0.3080(2) 0.2718(3) 0.104(3) Uani 1 1 d D U . . .
C2_39 C 0.3808(4) 0.2881(3) 0.2589(3) 0.110(4) Uani 1 1 d D U . . .
H2_39 H 0.394449 0.276778 0.241922 0.132 Uiso 1 1 calc R U . . .
C3_39 C 0.3400(5) 0.2849(4) 0.2712(3) 0.111(4) Uani 1 1 d D U . . .
C4_39 C 0.3191(5) 0.3013(4) 0.2964(3) 0.114(4) Uani 1 1 d D U . . .
H4_39 H 0.292364 0.299141 0.304348 0.137 Uiso 1 1 calc R U . . .
C5_39 C 0.3382(5) 0.3213(4) 0.3098(3) 0.110(4) Uani 1 1 d D U . . .
C6_39 C 0.3786(4) 0.3239(3) 0.2971(3) 0.107(4) Uani 1 1 d D U . . .
H6_39 H 0.391278 0.337195 0.306190 0.128 Uiso 1 1 calc R U . . .
C7_39 C 0.3214(6) 0.2626(5) 0.2554(5) 0.126(5) Uani 1 1 d D U . . .
H7A_39 H 0.341040 0.253639 0.238495 0.189 Uiso 1 1 calc R U . . .
H7B_39 H 0.311651 0.241231 0.269303 0.189 Uiso 1 1 calc R U . . .
H7C_39 H 0.299783 0.278710 0.248269 0.189 Uiso 1 1 calc R U . . .
C8_39 C 0.3184(6) 0.3406(5) 0.3374(4) 0.112(5) Uani 1 1 d D U . . .
H8A_39 H 0.337469 0.352472 0.342434 0.169 Uiso 1 1 calc R U . . .
H8B_39 H 0.296837 0.359535 0.332994 0.169 Uiso 1 1 calc R U . . .
H8C_39 H 0.308418 0.322010 0.354091 0.169 Uiso 1 1 calc R U . . .
S1_40 S 0.6002(2) 0.11270(16) 0.22666(12) 0.0972(18) Uani 1 1 d D U . . .
C1_40 C 0.5811(5) 0.11635(13) 0.1936(3) 0.092(3) Uani 1 1 d D U . . .
C2_40 C 0.6062(5) 0.1171(2) 0.1651(3) 0.091(3) Uani 1 1 d D U . . .
H2_40 H 0.633480 0.115668 0.162780 0.109 Uiso 1 1 calc R U . . .
C3_40 C 0.5908(5) 0.1199(3) 0.1395(3) 0.090(3) Uani 1 1 d D U . . .
C4_40 C 0.5503(5) 0.1221(3) 0.1433(3) 0.094(3) Uani 1 1 d D U . . .
H4_40 H 0.539806 0.124110 0.126570 0.113 Uiso 1 1 calc R U . . .
C5_40 C 0.5256(4) 0.1212(3) 0.1716(3) 0.093(3) Uani 1 1 d D U . . .
C6_40 C 0.5403(5) 0.1185(2) 0.1974(4) 0.093(3) Uani 1 1 d D U . . .
H6_40 H 0.523232 0.118195 0.216545 0.111 Uiso 1 1 calc R U . . .
C7_40 C 0.6195(6) 0.1206(4) 0.1084(4) 0.105(5) Uani 1 1 d D U . . .
H7A_40 H 0.646160 0.118795 0.110581 0.157 Uiso 1 1 calc R U . . .
H7B_40 H 0.617439 0.099542 0.099419 0.157 Uiso 1 1 calc R U . . .
H7C_40 H 0.612932 0.144011 0.095765 0.157 Uiso 1 1 calc R U . . .
C8_40 C 0.4813(5) 0.1236(4) 0.1756(5) 0.104(5) Uani 1 1 d D U . . .
H8A_40 H 0.468314 0.122671 0.196668 0.157 Uiso 1 1 calc R U . . .
H8B_40 H 0.471467 0.147065 0.164476 0.157 Uiso 1 1 calc R U . . .
H8C_40 H 0.476039 0.102593 0.168110 0.157 Uiso 1 1 calc R U . . .
S1_41 S 0.63614(19) 0.21543(17) 0.17367(11) 0.0870(16) Uani 1 1 d D U . . .
C1_41 C 0.6541(5) 0.2100(2) 0.1344(3) 0.111(4) Uani 1 1 d D U . . .
C2_41 C 0.6936(5) 0.1958(3) 0.1236(3) 0.122(4) Uani 1 1 d D U . . .
H2_41 H 0.710670 0.189160 0.136603 0.147 Uiso 1 1 calc R U . . .
C3_41 C 0.7078(5) 0.1916(4) 0.0926(3) 0.123(4) Uani 1 1 d D U . . .
C4_41 C 0.6826(5) 0.2014(3) 0.0738(4) 0.123(4) Uani 1 1 d D U . . .
H4_41 H 0.691977 0.198514 0.053548 0.148 Uiso 1 1 calc R U . . .
C5_41 C 0.6437(5) 0.2153(4) 0.0843(3) 0.116(4) Uani 1 1 d D U . . .
C6_41 C 0.6291(5) 0.2197(3) 0.1145(3) 0.115(4) Uani 1 1 d D U . . .
H6_41 H 0.602414 0.229063 0.121557 0.138 Uiso 1 1 calc R U . . .
C7_41 C 0.7516(5) 0.1758(5) 0.0806(5) 0.153(7) Uani 1 1 d D U . . .
H7A_41 H 0.764946 0.170401 0.096894 0.229 Uiso 1 1 calc R U . . .
H7B_41 H 0.753239 0.152819 0.072628 0.229 Uiso 1 1 calc R U . . .
H7C_41 H 0.764023 0.194259 0.064961 0.229 Uiso 1 1 calc R U . . .
C8_41 C 0.6173(6) 0.2257(5) 0.0618(4) 0.126(6) Uani 1 1 d D U . . .
H8A_41 H 0.590796 0.235115 0.072024 0.188 Uiso 1 1 calc R U . . .
H8B_41 H 0.627606 0.244923 0.045814 0.188 Uiso 1 1 calc R U . . .
H8C_41 H 0.616847 0.203473 0.053509 0.188 Uiso 1 1 calc R U . . .
S1_42 S 0.58935(15) 0.29711(14) 0.22181(9) 0.0629(12) Uani 1 1 d D U . . .
C1_42 C 0.5645(3) 0.3219(3) 0.1931(3) 0.077(3) Uani 1 1 d D U . . .
C2_42 C 0.5794(4) 0.3133(3) 0.1641(3) 0.085(3) Uani 1 1 d D U . . .
H2_42 H 0.601721 0.295099 0.160103 0.101 Uiso 1 1 calc R U . . .
C3_42 C 0.5612(4) 0.3317(4) 0.1407(3) 0.085(3) Uani 1 1 d D U . . .
C4_42 C 0.5282(4) 0.3586(4) 0.1469(3) 0.083(3) Uani 1 1 d D U . . .
H4_42 H 0.516210 0.370818 0.131247 0.099 Uiso 1 1 calc R U . . .
C5_42 C 0.5124(4) 0.3680(3) 0.1754(3) 0.079(3) Uani 1 1 d D U . . .
C6_42 C 0.5309(4) 0.3492(3) 0.1987(3) 0.081(3) Uani 1 1 d D U . . .
H6_42 H 0.520653 0.355149 0.218239 0.097 Uiso 1 1 calc R U . . .
C7_42 C 0.5787(6) 0.3213(5) 0.1090(3) 0.105(5) Uani 1 1 d D U . . .
H7A_42 H 0.601545 0.302143 0.109267 0.157 Uiso 1 1 calc R U . . .
H7B_42 H 0.559133 0.311766 0.102608 0.157 Uiso 1 1 calc R U . . .
H7C_42 H 0.586494 0.343520 0.095194 0.157 Uiso 1 1 calc R U . . .
C8_42 C 0.4760(4) 0.3977(4) 0.1823(4) 0.101(5) Uani 1 1 d D U . . .
H8A_42 H 0.469620 0.400148 0.203375 0.151 Uiso 1 1 calc R U . . .
H8B_42 H 0.481321 0.421697 0.170255 0.151 Uiso 1 1 calc R U . . .
H8C_42 H 0.453937 0.389968 0.177628 0.151 Uiso 1 1 calc R U . . .
S1_43 S 0.7192(2) 0.1164(2) 0.17749(16) 0.136(2) Uani 1 1 d D U . . .
C1_43 C 0.7088(2) 0.0758(4) 0.1657(4) 0.146(4) Uani 1 1 d D U . . .
C2_43 C 0.7132(3) 0.0755(5) 0.1350(4) 0.153(5) Uani 1 1 d D U . . .
H2_43 H 0.721397 0.095958 0.120639 0.184 Uiso 1 1 calc R U . . .
C3_43 C 0.7048(4) 0.0435(5) 0.1264(4) 0.151(5) Uani 1 1 d D U . . .
C4_43 C 0.6928(4) 0.0134(5) 0.1474(4) 0.154(5) Uani 1 1 d D U . . .
H4_43 H 0.687490 -0.007454 0.140925 0.185 Uiso 1 1 calc R U . . .
C5_43 C 0.6882(4) 0.0131(5) 0.1776(4) 0.149(5) Uani 1 1 d D U . . .
C6_43 C 0.6964(3) 0.0451(5) 0.1868(4) 0.149(5) Uani 1 1 d D U . . .
H6_43 H 0.693476 0.045607 0.207264 0.179 Uiso 1 1 calc R U . . .
C7_43 C 0.7092(6) 0.0418(8) 0.0928(4) 0.168(7) Uani 1 1 d D U . . .
H7A_43 H 0.717841 0.064748 0.080830 0.252 Uiso 1 1 calc R U . . .
H7B_43 H 0.728549 0.020361 0.087001 0.252 Uiso 1 1 calc R U . . .
H7C_43 H 0.684107 0.039043 0.089702 0.252 Uiso 1 1 calc R U . . .
C8_43 C 0.6749(5) -0.0205(6) 0.2004(5) 0.155(6) Uani 1 1 d D U . . .
H8A_43 H 0.673407 -0.015735 0.220397 0.233 Uiso 1 1 calc R U . . .
H8B_43 H 0.649261 -0.024225 0.199038 0.233 Uiso 1 1 calc R U . . .
H8C_43 H 0.693724 -0.042853 0.196300 0.233 Uiso 1 1 calc R U . . .
S1_44 S 0.72094(15) 0.05694(16) 0.34600(12) 0.0773(14) Uani 1 1 d D U . . .
C1_44 C 0.7654(3) 0.0228(3) 0.3433(3) 0.113(4) Uani 1 1 d D U . . .
C2_44 C 0.7743(4) -0.0015(4) 0.3218(3) 0.121(4) Uani 1 1 d D U . . .
H2_44 H 0.757458 -0.000054 0.309006 0.145 Uiso 1 1 calc R U . . .
C3_44 C 0.8090(5) -0.0280(4) 0.3197(3) 0.124(4) Uani 1 1 d D U . . .
C4_44 C 0.8337(5) -0.0301(4) 0.3386(3) 0.128(4) Uani 1 1 d D U . . .
H4_44 H 0.856546 -0.047996 0.336881 0.153 Uiso 1 1 calc R U . . .
C5_44 C 0.8254(5) -0.0064(4) 0.3597(3) 0.125(4) Uani 1 1 d D U . . .
C6_44 C 0.7908(4) 0.0205(4) 0.3624(3) 0.123(4) Uani 1 1 d D U . . .
H6_44 H 0.784791 0.036805 0.376741 0.148 Uiso 1 1 calc R U . . .
C7_44 C 0.8186(7) -0.0547(6) 0.2959(4) 0.138(6) Uani 1 1 d D U . . .
H7A_44 H 0.798210 -0.049304 0.284841 0.207 Uiso 1 1 calc R U . . .
H7B_44 H 0.843746 -0.050980 0.282235 0.207 Uiso 1 1 calc R U . . .
H7C_44 H 0.819864 -0.080648 0.305838 0.207 Uiso 1 1 calc R U . . .
C8_44 C 0.8525(6) -0.0085(6) 0.3807(4) 0.142(6) Uani 1 1 d D U . . .
H8A_44 H 0.841787 0.010268 0.393940 0.213 Uiso 1 1 calc R U . . .
H8B_44 H 0.854506 -0.033371 0.392562 0.213 Uiso 1 1 calc R U . . .
H8C_44 H 0.878448 -0.003760 0.368941 0.213 Uiso 1 1 calc R U . . .
S1_45 S 0.65656(14) 0.10032(14) 0.28797(10) 0.0620(12) Uani 1 1 d D U . . .
C1_45 C 0.6511(3) 0.0506(3) 0.3007(2) 0.067(3) Uani 1 1 d D U . . .
C2_45 C 0.6775(3) 0.0228(4) 0.2855(3) 0.071(3) Uani 1 1 d D U . . .
H2_45 H 0.697804 0.029634 0.268907 0.085 Uiso 1 1 calc R U . . .
C3_45 C 0.6730(3) -0.0158(4) 0.2956(3) 0.070(3) Uani 1 1 d D U . . .
C4_45 C 0.6425(3) -0.0243(4) 0.3202(3) 0.072(3) Uani 1 1 d D U . . .
H4_45 H 0.639504 -0.049787 0.326827 0.086 Uiso 1 1 calc R U . . .
C5_45 C 0.6161(3) 0.0026(4) 0.3356(3) 0.070(3) Uani 1 1 d D U . . .
C6_45 C 0.6206(3) 0.0408(4) 0.3256(2) 0.066(3) Uani 1 1 d D U . . .
H6_45 H 0.603276 0.059684 0.335499 0.079 Uiso 1 1 calc R U . . .
C7_45 C 0.7025(4) -0.0451(5) 0.2783(4) 0.095(5) Uani 1 1 d D U . . .
H7A_45 H 0.720936 -0.032367 0.262067 0.142 Uiso 1 1 calc R U . . .
H7B_45 H 0.716633 -0.062170 0.291755 0.142 Uiso 1 1 calc R U . . .
H7C_45 H 0.688351 -0.059245 0.270110 0.142 Uiso 1 1 calc R U . . .
C8_45 C 0.5827(4) -0.0092(5) 0.3628(3) 0.081(5) Uani 1 1 d D U . . .
H8A_45 H 0.567265 0.013088 0.370673 0.122 Uiso 1 1 calc R U . . .
H8B_45 H 0.565813 -0.022467 0.356498 0.122 Uiso 1 1 calc R U . . .
H8C_45 H 0.593994 -0.025553 0.378247 0.122 Uiso 1 1 calc R U . . .
S1_46 S 0.68022(15) 0.18387(16) 0.24391(10) 0.0737(14) Uani 1 1 d D U . . .
C1_46 C 0.7094(3) 0.2173(4) 0.21802(19) 0.111(4) Uani 1 1 d D U . . .
C2_46 C 0.6989(4) 0.2561(4) 0.2158(3) 0.114(4) Uani 1 1 d D U . . .
H2_46 H 0.675446 0.266126 0.228209 0.136 Uiso 1 1 calc R U . . .
C3_46 C 0.7229(4) 0.2809(4) 0.1951(3) 0.117(4) Uani 1 1 d D U . . .
C4_46 C 0.7575(4) 0.2665(5) 0.1767(3) 0.129(4) Uani 1 1 d D U . . .
H4_46 H 0.773520 0.282946 0.162940 0.154 Uiso 1 1 calc R U . . .
C5_46 C 0.7688(4) 0.2277(5) 0.1784(3) 0.129(4) Uani 1 1 d D U . . .
C6_46 C 0.7451(4) 0.2024(5) 0.1990(3) 0.126(4) Uani 1 1 d D U . . .
H6_46 H 0.752864 0.176279 0.200073 0.151 Uiso 1 1 calc R U . . .
C7_46 C 0.7096(6) 0.3233(5) 0.1938(4) 0.134(6) Uani 1 1 d D U . . .
H7A_46 H 0.684759 0.327789 0.208346 0.201 Uiso 1 1 calc R U . . .
H7B_46 H 0.729261 0.334757 0.198500 0.201 Uiso 1 1 calc R U . . .
H7C_46 H 0.706268 0.334192 0.173908 0.201 Uiso 1 1 calc R U . . .
C8_46 C 0.8073(5) 0.2130(7) 0.1577(4) 0.167(7) Uani 1 1 d D U . . .
H8A_46 H 0.811367 0.185640 0.161346 0.250 Uiso 1 1 calc R U . . .
H8B_46 H 0.805965 0.221611 0.137005 0.250 Uiso 1 1 calc R U . . .
H8C_46 H 0.828974 0.222244 0.161571 0.250 Uiso 1 1 calc R U . . .
S1_47 S 0.75146(15) 0.16275(17) 0.29218(12) 0.0793(15) Uani 1 1 d D U . . .
C1_47 C 0.7871(3) 0.1543(4) 0.3146(2) 0.099(3) Uani 1 1 d D U . . .
C2_47 C 0.8160(4) 0.1225(4) 0.3131(3) 0.108(4) Uani 1 1 d D U . . .
H2_47 H 0.816928 0.105255 0.300345 0.129 Uiso 1 1 calc R U . . .
C3_47 C 0.8441(4) 0.1162(4) 0.3310(3) 0.109(4) Uani 1 1 d D U . . .
C4_47 C 0.8421(4) 0.1418(4) 0.3496(3) 0.109(4) Uani 1 1 d D U . . .
H4_47 H 0.860618 0.137643 0.361409 0.131 Uiso 1 1 calc R U . . .
C5_47 C 0.8137(4) 0.1736(4) 0.3516(3) 0.105(4) Uani 1 1 d D U . . .
C6_47 C 0.7857(4) 0.1800(4) 0.3338(3) 0.104(4) Uani 1 1 d D U . . .
H6_47 H 0.766316 0.201305 0.334870 0.125 Uiso 1 1 calc R U . . .
C7_47 C 0.8755(5) 0.0808(5) 0.3289(5) 0.134(6) Uani 1 1 d D U . . .
H7A_47 H 0.871888 0.066531 0.314671 0.201 Uiso 1 1 calc R U . . .
H7B_47 H 0.901540 0.088393 0.322320 0.201 Uiso 1 1 calc R U . . .
H7C_47 H 0.872989 0.065324 0.348456 0.201 Uiso 1 1 calc R U . . .
C8_47 C 0.8120(6) 0.2020(5) 0.3725(4) 0.115(5) Uani 1 1 d D U . . .
H8A_47 H 0.790368 0.222144 0.370817 0.173 Uiso 1 1 calc R U . . .
H8B_47 H 0.808041 0.189245 0.393082 0.173 Uiso 1 1 calc R U . . .
H8C_47 H 0.836525 0.212374 0.366939 0.173 Uiso 1 1 calc R U . . .
S1_48 S 0.68014(13) 0.32393(14) 0.28326(10) 0.0603(12) Uani 1 1 d D U . . .
C1_48 C 0.7275(3) 0.3028(2) 0.2888(3) 0.077(3) Uani 1 1 d D U . . .
C2_48 C 0.7507(4) 0.2782(3) 0.2696(3) 0.080(3) Uani 1 1 d D U . . .
H2_48 H 0.741643 0.272804 0.253967 0.096 Uiso 1 1 calc R U . . .
C3_48 C 0.7886(4) 0.2614(3) 0.2741(3) 0.085(3) Uani 1 1 d D U . . .
C4_48 C 0.8017(4) 0.2696(3) 0.2973(3) 0.084(3) Uani 1 1 d D U . . .
H4_48 H 0.826772 0.258318 0.299965 0.101 Uiso 1 1 calc R U . . .
C5_48 C 0.7787(4) 0.2941(4) 0.3167(3) 0.086(3) Uani 1 1 d D U . . .
C6_48 C 0.7412(4) 0.3106(3) 0.3121(3) 0.081(3) Uani 1 1 d D U . . .
H6_48 H 0.725157 0.327208 0.324937 0.098 Uiso 1 1 calc R U . . .
C7_48 C 0.8159(5) 0.2339(4) 0.2535(4) 0.098(5) Uani 1 1 d D U . . .
H7A_48 H 0.802846 0.230898 0.238515 0.146 Uiso 1 1 calc R U . . .
H7B_48 H 0.840214 0.243890 0.243722 0.146 Uiso 1 1 calc R U . . .
H7C_48 H 0.821591 0.209603 0.265420 0.146 Uiso 1 1 calc R U . . .
C8_48 C 0.7924(5) 0.3037(5) 0.3425(3) 0.096(5) Uani 1 1 d D U . . .
H8A_48 H 0.772048 0.321158 0.353170 0.144 Uiso 1 1 calc R U . . .
H8B_48 H 0.797685 0.280851 0.356198 0.144 Uiso 1 1 calc R U . . .
H8C_48 H 0.816272 0.315153 0.334496 0.144 Uiso 1 1 calc R U . . .
S1_49 S 0.62328(13) 0.39567(13) 0.36024(10) 0.0596(11) Uani 1 1 d D U . . .
C1_49 C 0.6377(3) 0.4414(3) 0.3460(2) 0.069(3) Uani 1 1 d D U . . .
C2_49 C 0.6663(3) 0.4486(4) 0.3198(3) 0.071(3) Uani 1 1 d D U . . .
H2_49 H 0.679242 0.429288 0.308425 0.085 Uiso 1 1 calc R U . . .
C3_49 C 0.6755(3) 0.4859(4) 0.3105(3) 0.073(3) Uani 1 1 d D U . . .
C4_49 C 0.6568(3) 0.5145(4) 0.3270(3) 0.078(3) Uani 1 1 d D U . . .
H4_49 H 0.663726 0.538844 0.320208 0.093 Uiso 1 1 calc R U . . .
C5_49 C 0.6282(3) 0.5083(4) 0.3531(3) 0.075(3) Uani 1 1 d D U . . .
C6_49 C 0.6184(3) 0.4711(3) 0.3627(3) 0.078(3) Uani 1 1 d D U . . .
H6_49 H 0.598849 0.466200 0.380312 0.094 Uiso 1 1 calc R U . . .
C7_49 C 0.7070(4) 0.4948(5) 0.2817(3) 0.089(5) Uani 1 1 d D U . . .
H7A_49 H 0.717448 0.472106 0.272645 0.134 Uiso 1 1 calc R U . . .
H7B_49 H 0.695444 0.513856 0.267726 0.134 Uiso 1 1 calc R U . . .
H7C_49 H 0.728179 0.504044 0.286371 0.134 Uiso 1 1 calc R U . . .
C8_49 C 0.6065(5) 0.5390(5) 0.3721(4) 0.100(5) Uani 1 1 d D U . . .
H8A_49 H 0.587810 0.528272 0.389385 0.151 Uiso 1 1 calc R U . . .
H8B_49 H 0.625388 0.549187 0.378866 0.151 Uiso 1 1 calc R U . . .
H8C_49 H 0.592669 0.558914 0.360208 0.151 Uiso 1 1 calc R U . . .
S1_50 S 0.54382(13) 0.37225(13) 0.29670(9) 0.0529(10) Uani 1 1 d D U . . .
C1_50 C 0.5758(3) 0.4084(3) 0.28260(17) 0.059(3) Uani 1 1 d D U . . .
C2_50 C 0.6124(3) 0.4023(4) 0.2627(2) 0.064(3) Uani 1 1 d D U . . .
H2_50 H 0.621181 0.378760 0.256121 0.077 Uiso 1 1 calc R U . . .
C3_50 C 0.6366(3) 0.4313(4) 0.2521(2) 0.064(3) Uani 1 1 d D U . . .
C4_50 C 0.6219(4) 0.4655(4) 0.2626(2) 0.067(3) Uani 1 1 d D U . . .
H4_50 H 0.637375 0.484981 0.255905 0.080 Uiso 1 1 calc R U . . .
C5_50 C 0.5858(4) 0.4724(3) 0.2824(2) 0.064(3) Uani 1 1 d D U . . .
C6_50 C 0.5619(4) 0.4434(3) 0.2928(2) 0.060(3) Uani 1 1 d D U . . .
H6_50 H 0.537216 0.447369 0.306252 0.073 Uiso 1 1 calc R U . . .
C7_50 C 0.6764(4) 0.4234(5) 0.2303(3) 0.077(5) Uani 1 1 d D U . . .
H7A_50 H 0.680378 0.397821 0.226205 0.116 Uiso 1 1 calc R U . . .
H7B_50 H 0.677082 0.440858 0.211804 0.116 Uiso 1 1 calc R U . . .
H7C_50 H 0.697138 0.426637 0.239175 0.116 Uiso 1 1 calc R U . . .
C8_50 C 0.5705(5) 0.5103(4) 0.2935(3) 0.073(4) Uani 1 1 d D U . . .
H8A_50 H 0.544753 0.509227 0.307119 0.110 Uiso 1 1 calc R U . . .
H8B_50 H 0.588520 0.515715 0.303905 0.110 Uiso 1 1 calc R U . . .
H8C_50 H 0.568377 0.529886 0.276576 0.110 Uiso 1 1 calc R U . . .
S1_51 S 0.61536(14) 0.07802(14) 0.39452(10) 0.0616(12) Uani 1 1 d D U . . .
C1_51 C 0.6328(3) 0.0620(2) 0.4284(2) 0.071(3) Uani 1 1 d D U . . .
C2_51 C 0.6692(4) 0.0386(3) 0.4259(3) 0.075(3) Uani 1 1 d D U . . .
H2_51 H 0.683659 0.031727 0.407309 0.090 Uiso 1 1 calc R U . . .
C3_51 C 0.6836(4) 0.0257(3) 0.4518(3) 0.079(3) Uani 1 1 d D U . . .
C4_51 C 0.6618(4) 0.0359(3) 0.4793(3) 0.076(3) Uani 1 1 d D U . . .
H4_51 H 0.672072 0.026779 0.496342 0.091 Uiso 1 1 calc R U . . .
C5_51 C 0.6259(4) 0.0588(3) 0.4827(3) 0.073(3) Uani 1 1 d D U . . .
C6_51 C 0.6115(4) 0.0717(2) 0.4564(3) 0.071(3) Uani 1 1 d D U . . .
H6_51 H 0.587023 0.087146 0.457731 0.086 Uiso 1 1 calc R U . . .
C7_51 C 0.7231(4) 0.0003(4) 0.4485(4) 0.096(5) Uani 1 1 d D U . . .
H7A_51 H 0.733336 -0.003333 0.427735 0.144 Uiso 1 1 calc R U . . .
H7B_51 H 0.741387 0.011957 0.454688 0.144 Uiso 1 1 calc R U . . .
H7C_51 H 0.719686 -0.023846 0.460991 0.144 Uiso 1 1 calc R U . . .
C8_51 C 0.6015(5) 0.0705(3) 0.5128(3) 0.081(5) Uani 1 1 d D U . . .
H8A_51 H 0.577413 0.086600 0.509841 0.122 Uiso 1 1 calc R U . . .
H8B_51 H 0.595031 0.048223 0.526986 0.122 Uiso 1 1 calc R U . . .
H8C_51 H 0.616619 0.084126 0.520496 0.122 Uiso 1 1 calc R U . . .
S1_52 S 0.45444(14) 0.26079(13) 0.43944(9) 0.0612(12) Uani 1 1 d D U . . .
C1_52 C 0.4562(2) 0.2378(3) 0.4767(2) 0.066(3) Uani 1 1 d D U . . .
C2_52 C 0.4737(3) 0.2008(4) 0.4828(3) 0.072(3) Uani 1 1 d D U . . .
H2_52 H 0.485228 0.187075 0.466818 0.086 Uiso 1 1 calc R U . . .
C3_52 C 0.4747(3) 0.1834(4) 0.5123(3) 0.072(3) Uani 1 1 d D U . . .
C4_52 C 0.4578(3) 0.2038(4) 0.5357(3) 0.075(3) Uani 1 1 d D U . . .
H4_52 H 0.458338 0.192384 0.555377 0.090 Uiso 1 1 calc R U . . .
C5_52 C 0.4399(3) 0.2411(4) 0.5305(3) 0.074(3) Uani 1 1 d D U . . .
C6_52 C 0.4393(3) 0.2580(4) 0.5012(3) 0.072(3) Uani 1 1 d D U . . .
H6_52 H 0.427385 0.283080 0.497562 0.086 Uiso 1 1 calc R U . . .
C7_52 C 0.4943(4) 0.1427(4) 0.5182(4) 0.087(5) Uani 1 1 d D U . . .
H7A_52 H 0.504505 0.132882 0.499385 0.131 Uiso 1 1 calc R U . . .
H7B_52 H 0.515815 0.141869 0.527579 0.131 Uiso 1 1 calc R U . . .
H7C_52 H 0.475208 0.127543 0.531396 0.131 Uiso 1 1 calc R U . . .
C8_52 C 0.4209(4) 0.2645(5) 0.5561(4) 0.087(5) Uani 1 1 d D U . . .
H8A_52 H 0.423517 0.249308 0.575096 0.130 Uiso 1 1 calc R U . . .
H8B_52 H 0.433879 0.286533 0.552914 0.130 Uiso 1 1 calc R U . . .
H8C_52 H 0.393177 0.272493 0.556538 0.130 Uiso 1 1 calc R U . . .
S1_53 S 0.51074(15) 0.32611(13) 0.44573(9) 0.0619(12) Uani 1 1 d D U . . .
C1_53 C 0.5285(3) 0.3593(2) 0.4605(3) 0.071(3) Uani 1 1 d D U . . .
C2_53 C 0.5079(4) 0.3670(3) 0.4892(3) 0.078(3) Uani 1 1 d D U . . .
H2_53 H 0.486033 0.354810 0.499485 0.093 Uiso 1 1 calc R U . . .
C3_53 C 0.5197(4) 0.3930(3) 0.5030(3) 0.080(3) Uani 1 1 d D U . . .
C4_53 C 0.5519(4) 0.4105(3) 0.4874(3) 0.082(3) Uani 1 1 d D U . . .
H4_53 H 0.559840 0.427740 0.496257 0.098 Uiso 1 1 calc R U . . .
C5_53 C 0.5730(4) 0.4034(3) 0.4588(3) 0.078(3) Uani 1 1 d D U . . .
C6_53 C 0.5611(3) 0.3775(3) 0.4452(3) 0.078(3) Uani 1 1 d D U . . .
H6_53 H 0.575020 0.372530 0.426006 0.094 Uiso 1 1 calc R U . . .
C7_53 C 0.4961(3) 0.4001(5) 0.5343(3) 0.097(5) Uani 1 1 d D U . . .
H7A_53 H 0.474904 0.384888 0.540884 0.146 Uiso 1 1 calc R U . . .
H7B_53 H 0.513221 0.393296 0.548068 0.146 Uiso 1 1 calc R U . . .
H7C_53 H 0.485176 0.426497 0.533700 0.146 Uiso 1 1 calc R U . . .
C8_53 C 0.6087(4) 0.4229(5) 0.4417(4) 0.095(5) Uani 1 1 d D U . . .
H8A_53 H 0.619242 0.414251 0.422393 0.142 Uiso 1 1 calc R U . . .
H8B_53 H 0.600743 0.449906 0.438666 0.142 Uiso 1 1 calc R U . . .
H8C_53 H 0.628706 0.416719 0.453131 0.142 Uiso 1 1 calc R U . . .
S1_54 S 0.39825(15) 0.39384(14) 0.44738(10) 0.0683(13) Uani 1 1 d D U . . .
C1_54 C 0.3997(2) 0.4092(3) 0.4815(3) 0.086(3) Uani 1 1 d D U . . .
C2_54 C 0.3868(3) 0.3895(4) 0.5099(3) 0.089(3) Uani 1 1 d D U . . .
H2_54 H 0.376713 0.366983 0.511768 0.107 Uiso 1 1 calc R U . . .
C3_54 C 0.3885(3) 0.4026(4) 0.5363(3) 0.089(3) Uani 1 1 d D U . . .
C4_54 C 0.4033(3) 0.4357(4) 0.5329(3) 0.094(3) Uani 1 1 d D U . . .
H4_54 H 0.404407 0.444708 0.550098 0.113 Uiso 1 1 calc R U . . .
C5_54 C 0.4166(3) 0.4562(4) 0.5051(3) 0.095(3) Uani 1 1 d D U . . .
C6_54 C 0.4149(3) 0.4428(4) 0.4789(3) 0.095(3) Uani 1 1 d D U . . .
H6_54 H 0.423852 0.456536 0.459937 0.114 Uiso 1 1 calc R U . . .
C7_54 C 0.3737(5) 0.3797(5) 0.5670(3) 0.101(5) Uani 1 1 d D U . . .
H7A_54 H 0.364618 0.357476 0.564433 0.152 Uiso 1 1 calc R U . . .
H7B_54 H 0.395024 0.372195 0.577258 0.152 Uiso 1 1 calc R U . . .
H7C_54 H 0.352239 0.395009 0.578889 0.152 Uiso 1 1 calc R U . . .
C8_54 C 0.4331(5) 0.4931(4) 0.5018(4) 0.113(5) Uani 1 1 d D U . . .
H8A_54 H 0.440873 0.503315 0.480758 0.169 Uiso 1 1 calc R U . . .
H8B_54 H 0.413128 0.511112 0.512187 0.169 Uiso 1 1 calc R U . . .
H8C_54 H 0.455869 0.488160 0.510458 0.169 Uiso 1 1 calc R U . . .
S1_55 S 0.59539(15) 0.16387(13) 0.45751(10) 0.0657(12) Uani 1 1 d D U . . .
C1_55 C 0.5911(3) 0.1894(3) 0.4879(2) 0.077(3) Uani 1 1 d D U . . .
C2_55 C 0.5626(4) 0.2199(3) 0.4947(2) 0.074(3) Uani 1 1 d D U . . .
H2_55 H 0.543715 0.228775 0.483275 0.089 Uiso 1 1 calc R U . . .
C3_55 C 0.5625(4) 0.2375(3) 0.5193(3) 0.078(3) Uani 1 1 d D U . . .
C4_55 C 0.5912(4) 0.2230(4) 0.5353(3) 0.077(3) Uani 1 1 d D U . . .
H4_55 H 0.590810 0.234746 0.551592 0.093 Uiso 1 1 calc R U . . .
C5_55 C 0.6203(4) 0.1926(4) 0.5294(3) 0.081(3) Uani 1 1 d D U . . .
C6_55 C 0.6199(4) 0.1759(4) 0.5049(2) 0.080(3) Uani 1 1 d D U . . .
H6_55 H 0.639068 0.155254 0.499725 0.096 Uiso 1 1 calc R U . . .
C7_55 C 0.5309(4) 0.2712(4) 0.5270(4) 0.086(5) Uani 1 1 d D U . . .
H7A_55 H 0.514065 0.276492 0.512949 0.129 Uiso 1 1 calc R U . . .
H7B_55 H 0.515192 0.265321 0.547166 0.129 Uiso 1 1 calc R U . . .
H7C_55 H 0.543400 0.293046 0.525584 0.129 Uiso 1 1 calc R U . . .
C8_55 C 0.6513(5) 0.1775(5) 0.5475(3) 0.087(4) Uani 1 1 d D U . . .
H8A_55 H 0.668519 0.156226 0.539228 0.131 Uiso 1 1 calc R U . . .
H8B_55 H 0.666720 0.197149 0.546514 0.131 Uiso 1 1 calc R U . . .
H8C_55 H 0.638493 0.169505 0.568189 0.131 Uiso 1 1 calc R U . . .
S1_56 S 0.48559(14) 0.12576(13) 0.43379(10) 0.0597(12) Uani 1 1 d D U . . .
C1_56 C 0.4572(3) 0.0873(3) 0.4415(2) 0.069(3) Uani 1 1 d D U . . .
C2_56 C 0.4224(3) 0.0890(3) 0.4636(2) 0.072(3) Uani 1 1 d D U . . .
H2_56 H 0.414283 0.109665 0.474048 0.087 Uiso 1 1 calc R U . . .
C3_56 C 0.3992(4) 0.0594(3) 0.4703(2) 0.073(3) Uani 1 1 d D U . . .
C4_56 C 0.4130(4) 0.0301(3) 0.4540(2) 0.076(3) Uani 1 1 d D U . . .
H4_56 H 0.397725 0.010480 0.458419 0.092 Uiso 1 1 calc R U . . .
C5_56 C 0.4473(4) 0.0268(3) 0.4318(3) 0.071(3) Uani 1 1 d D U . . .
C6_56 C 0.4703(4) 0.0566(3) 0.4252(3) 0.068(3) Uani 1 1 d D U . . .
H6_56 H 0.493869 0.055930 0.410306 0.081 Uiso 1 1 calc R U . . .
C7_56 C 0.3605(4) 0.0621(5) 0.4951(3) 0.087(5) Uani 1 1 d D U . . .
H7A_56 H 0.357021 0.085236 0.503364 0.130 Uiso 1 1 calc R U . . .
H7B_56 H 0.338489 0.062118 0.486555 0.130 Uiso 1 1 calc R U . . .
H7C_56 H 0.361828 0.040727 0.510855 0.130 Uiso 1 1 calc R U . . .
C8_56 C 0.4618(5) -0.0061(4) 0.4141(3) 0.087(5) Uani 1 1 d D U . . .
H8A_56 H 0.486417 -0.002115 0.399815 0.130 Uiso 1 1 calc R U . . .
H8B_56 H 0.465756 -0.029275 0.427819 0.130 Uiso 1 1 calc R U . . .
H8C_56 H 0.442313 -0.007962 0.403563 0.130 Uiso 1 1 calc R U . . .
S1_57 S 0.43931(13) 0.32685(12) 0.38176(10) 0.0551(11) Uani 1 1 d D U . . .
C1_57 C 0.4142(3) 0.3663(2) 0.3609(3) 0.070(3) Uani 1 1 d D U . . .
C2_57 C 0.3803(3) 0.3881(3) 0.3756(4) 0.080(3) Uani 1 1 d D U . . .
H2_57 H 0.370787 0.381870 0.396436 0.096 Uiso 1 1 calc R U . . .
C3_57 C 0.3602(4) 0.4189(4) 0.3599(3) 0.084(3) Uani 1 1 d D U . . .
C4_57 C 0.3739(4) 0.4283(4) 0.3293(3) 0.083(3) Uani 1 1 d D U . . .
H4_57 H 0.360547 0.448882 0.318666 0.100 Uiso 1 1 calc R U . . .
C5_57 C 0.4072(4) 0.4075(4) 0.3143(3) 0.076(3) Uani 1 1 d D U . . .
C6_57 C 0.4279(4) 0.3761(3) 0.3300(3) 0.073(3) Uani 1 1 d D U . . .
H6_57 H 0.450503 0.362102 0.319570 0.088 Uiso 1 1 calc R U . . .
C7_57 C 0.3233(4) 0.4413(5) 0.3777(5) 0.112(6) Uani 1 1 d D U . . .
H7A_57 H 0.318533 0.430385 0.398659 0.168 Uiso 1 1 calc R U . . .
H7B_57 H 0.327268 0.467320 0.375539 0.168 Uiso 1 1 calc R U . . .
H7C_57 H 0.300748 0.440364 0.369985 0.168 Uiso 1 1 calc R U . . .
C8_57 C 0.4245(5) 0.4154(4) 0.2808(3) 0.089(5) Uani 1 1 d D U . . .
H8A_57 H 0.447790 0.397253 0.275324 0.134 Uiso 1 1 calc R U . . .
H8B_57 H 0.405219 0.413445 0.270152 0.134 Uiso 1 1 calc R U . . .
H8C_57 H 0.431590 0.440623 0.275599 0.134 Uiso 1 1 calc R U . . .
S1_58 S 0.48757(14) 0.41506(13) 0.37146(10) 0.0614(12) Uani 1 1 d D U . . .
C1_58 C 0.4717(4) 0.4554(3) 0.39035(15) 0.081(3) Uani 1 1 d D U . . .
C2_58 C 0.4975(5) 0.4694(3) 0.4022(2) 0.090(3) Uani 1 1 d D U . . .
H2_58 H 0.523678 0.457698 0.400326 0.108 Uiso 1 1 calc R U . . .
C3_58 C 0.4836(5) 0.5016(4) 0.4170(3) 0.093(3) Uani 1 1 d D U . . .
C4_58 C 0.4447(4) 0.5185(4) 0.4195(3) 0.093(3) Uani 1 1 d D U . . .
H4_58 H 0.435696 0.539722 0.429336 0.112 Uiso 1 1 calc R U . . .
C5_58 C 0.4188(4) 0.5049(4) 0.4079(3) 0.092(3) Uani 1 1 d D U . . .
C6_58 C 0.4323(4) 0.4729(3) 0.3931(2) 0.088(3) Uani 1 1 d D U . . .
H6_58 H 0.415146 0.463349 0.385087 0.105 Uiso 1 1 calc R U . . .
C7_58 C 0.5130(6) 0.5157(5) 0.4296(4) 0.117(5) Uani 1 1 d D U . . .
H7A_58 H 0.538276 0.499825 0.425286 0.175 Uiso 1 1 calc R U . . .
H7B_58 H 0.515996 0.541450 0.420288 0.175 Uiso 1 1 calc R U . . .
H7C_58 H 0.503354 0.514809 0.451072 0.175 Uiso 1 1 calc R U . . .
C8_58 C 0.3758(5) 0.5234(5) 0.4107(4) 0.116(6) Uani 1 1 d D U . . .
H8A_58 H 0.362660 0.509925 0.401278 0.174 Uiso 1 1 calc R U . . .
H8B_58 H 0.362612 0.522711 0.431759 0.174 Uiso 1 1 calc R U . . .
H8C_58 H 0.375110 0.549395 0.400974 0.174 Uiso 1 1 calc R U . . .
S1_59 S 0.68331(14) 0.26252(14) 0.38107(10) 0.0628(12) Uani 1 1 d D U . . .
C1_59 C 0.6790(3) 0.2622(3) 0.4206(2) 0.069(3) Uani 1 1 d D U . . .
C2_59 C 0.6504(3) 0.2863(3) 0.4378(3) 0.074(3) Uani 1 1 d D U . . .
H2_59 H 0.632123 0.303907 0.429165 0.089 Uiso 1 1 calc R U . . .
C3_59 C 0.6500(3) 0.2832(3) 0.4687(3) 0.073(3) Uani 1 1 d D U . . .
C4_59 C 0.6770(4) 0.2574(3) 0.4809(3) 0.076(3) Uani 1 1 d D U . . .
H4_59 H 0.676241 0.255976 0.501328 0.091 Uiso 1 1 calc R U . . .
C5_59 C 0.7053(4) 0.2336(3) 0.4642(3) 0.076(3) Uani 1 1 d D U . . .
C6_59 C 0.7064(4) 0.2358(3) 0.4339(3) 0.075(3) Uani 1 1 d D U . . .
H6_59 H 0.725411 0.219607 0.422231 0.090 Uiso 1 1 calc R U . . .
C7_59 C 0.6196(4) 0.3090(4) 0.4887(4) 0.085(4) Uani 1 1 d D U . . .
H7A_59 H 0.602651 0.325552 0.476979 0.127 Uiso 1 1 calc R U . . .
H7B_59 H 0.603815 0.293768 0.505124 0.127 Uiso 1 1 calc R U . . .
H7C_59 H 0.633079 0.323981 0.496656 0.127 Uiso 1 1 calc R U . . .
C8_59 C 0.7352(5) 0.2049(4) 0.4781(4) 0.097(5) Uani 1 1 d D U . . .
H8A_59 H 0.752515 0.190833 0.462887 0.145 Uiso 1 1 calc R U . . .
H8B_59 H 0.750560 0.217906 0.486060 0.145 Uiso 1 1 calc R U . . .
H8C_59 H 0.721365 0.187671 0.494141 0.145 Uiso 1 1 calc R U . . .
S1_60 S 0.72687(17) 0.13995(16) 0.40784(13) 0.0797(14) Uani 1 1 d D U . . .
C1_60 C 0.7492(4) 0.1113(2) 0.4364(3) 0.100(3) Uani 1 1 d D U . . .
C2_60 C 0.7880(4) 0.0936(3) 0.4270(4) 0.110(4) Uani 1 1 d D U . . .
H2_60 H 0.800965 0.097094 0.406606 0.131 Uiso 1 1 calc R U . . .
C3_60 C 0.8078(5) 0.0705(4) 0.4482(4) 0.114(4) Uani 1 1 d D U . . .
C4_60 C 0.7878(5) 0.0658(4) 0.4783(4) 0.113(4) Uani 1 1 d D U . . .
H4_60 H 0.800656 0.050582 0.492474 0.136 Uiso 1 1 calc R U . . .
C5_60 C 0.7498(5) 0.0829(4) 0.4878(3) 0.105(4) Uani 1 1 d D U . . .
C6_60 C 0.7307(5) 0.1056(3) 0.4665(3) 0.103(4) Uani 1 1 d D U . . .
H6_60 H 0.704735 0.117228 0.472931 0.124 Uiso 1 1 calc R U . . .
C7_60 C 0.8505(5) 0.0510(5) 0.4379(5) 0.136(6) Uani 1 1 d D U . . .
H7A_60 H 0.859487 0.057458 0.416391 0.204 Uiso 1 1 calc R U . . .
H7B_60 H 0.867410 0.059336 0.447790 0.204 Uiso 1 1 calc R U . . .
H7C_60 H 0.851287 0.023904 0.443152 0.204 Uiso 1 1 calc R U . . .
C8_60 C 0.7290(6) 0.0772(5) 0.5207(4) 0.113(6) Uani 1 1 d D U . . .
H8A_60 H 0.702624 0.091115 0.523477 0.169 Uiso 1 1 calc R U . . .
H8B_60 H 0.727604 0.050616 0.527671 0.169 Uiso 1 1 calc R U . . .
H8C_60 H 0.743559 0.086228 0.532157 0.169 Uiso 1 1 calc R U . . .
S1_61 S 0.77546(18) 0.06096(18) 0.25564(13) 0.0920(17) Uani 1 1 d D U . . .
C1_61 C 0.8230(4) 0.0758(4) 0.2477(2) 0.139(4) Uani 1 1 d D U . . .
C2_61 C 0.8522(5) 0.0508(5) 0.2587(3) 0.151(5) Uani 1 1 d D U . . .
H2_61 H 0.846593 0.027362 0.269792 0.182 Uiso 1 1 calc R U . . .
C3_61 C 0.8906(5) 0.0604(5) 0.2534(3) 0.155(5) Uani 1 1 d D U . . .
C4_61 C 0.8982(6) 0.0952(5) 0.2369(3) 0.158(5) Uani 1 1 d D U . . .
H4_61 H 0.923508 0.101699 0.233297 0.190 Uiso 1 1 calc R U . . .
C5_61 C 0.8696(5) 0.1206(5) 0.2257(3) 0.154(5) Uani 1 1 d D U . . .
C6_61 C 0.8313(5) 0.1107(5) 0.2312(3) 0.150(5) Uani 1 1 d D U . . .
H6_61 H 0.811574 0.127658 0.223661 0.180 Uiso 1 1 calc R U . . .
C7_61 C 0.9221(6) 0.0317(7) 0.2661(5) 0.179(7) Uani 1 1 d D U . . .
H7A_61 H 0.910716 0.009401 0.276779 0.269 Uiso 1 1 calc R U . . .
H7B_61 H 0.944007 0.024919 0.249779 0.269 Uiso 1 1 calc R U . . .
H7C_61 H 0.931237 0.042914 0.279716 0.269 Uiso 1 1 calc R U . . .
C8_61 C 0.8766(7) 0.1595(5) 0.2074(4) 0.167(7) Uani 1 1 d D U . . .
H8A_61 H 0.852475 0.172371 0.201941 0.250 Uiso 1 1 calc R U . . .
H8B_61 H 0.884471 0.174279 0.219348 0.250 Uiso 1 1 calc R U . . .
H8C_61 H 0.897155 0.156331 0.189392 0.250 Uiso 1 1 calc R U . . .
S1_62 S 0.83207(16) 0.43940(17) 0.40858(12) 0.0832(15) Uani 1 1 d D U . . .
C1_62 C 0.7869(3) 0.4219(3) 0.4297(2) 0.094(3) Uani 1 1 d D U . . .
C2_62 C 0.7767(4) 0.3904(4) 0.4226(3) 0.100(4) Uani 1 1 d D U . . .
H2_62 H 0.793199 0.378237 0.406899 0.119 Uiso 1 1 calc R U . . .
C3_62 C 0.7412(4) 0.3765(4) 0.4392(3) 0.102(4) Uani 1 1 d D U . . .
C4_62 C 0.7168(4) 0.3949(4) 0.4624(3) 0.103(4) Uani 1 1 d D U . . .
H4_62 H 0.693329 0.385835 0.473297 0.123 Uiso 1 1 calc R U . . .
C5_62 C 0.7267(4) 0.4262(4) 0.4695(3) 0.103(4) Uani 1 1 d D U . . .
C6_62 C 0.7620(4) 0.4401(4) 0.4532(3) 0.098(4) Uani 1 1 d D U . . .
H6_62 H 0.768725 0.461419 0.457985 0.118 Uiso 1 1 calc R U . . .
C7_62 C 0.7303(6) 0.3415(5) 0.4309(4) 0.109(5) Uani 1 1 d D U . . .
H7A_62 H 0.750694 0.332707 0.414367 0.163 Uiso 1 1 calc R U . . .
H7B_62 H 0.728124 0.321689 0.448117 0.163 Uiso 1 1 calc R U . . .
H7C_62 H 0.705422 0.348094 0.425138 0.163 Uiso 1 1 calc R U . . .
C8_62 C 0.7011(5) 0.4472(5) 0.4947(3) 0.117(6) Uani 1 1 d D U . . .
H8A_62 H 0.713411 0.468135 0.495946 0.175 Uiso 1 1 calc R U . . .
H8B_62 H 0.675390 0.456519 0.490645 0.175 Uiso 1 1 calc R U . . .
H8C_62 H 0.698185 0.430156 0.513583 0.175 Uiso 1 1 calc R U . . .
S1_63 S 0.93646(16) 0.41354(18) 0.19360(13) 0.0874(15) Uani 1 1 d D U . . .
C1_63 C 0.8974(3) 0.3853(3) 0.2033(2) 0.098(3) Uani 1 1 d D U . . .
C2_63 C 0.9034(4) 0.3526(3) 0.1910(3) 0.103(4) Uani 1 1 d D U . . .
H2_63 H 0.927561 0.345600 0.177821 0.124 Uiso 1 1 calc R U . . .
C3_63 C 0.8731(4) 0.3296(4) 0.1982(3) 0.105(4) Uani 1 1 d D U . . .
C4_63 C 0.8372(4) 0.3397(4) 0.2177(3) 0.101(4) Uani 1 1 d D U . . .
H4_63 H 0.817343 0.324305 0.222191 0.121 Uiso 1 1 calc R U . . .
C5_63 C 0.8304(4) 0.3726(4) 0.2305(3) 0.100(4) Uani 1 1 d D U . . .
C6_63 C 0.8612(4) 0.3956(4) 0.2230(3) 0.097(4) Uani 1 1 d D U . . .
H6_63 H 0.857053 0.417842 0.231405 0.116 Uiso 1 1 calc R U . . .
C7_63 C 0.8806(6) 0.2933(4) 0.1842(4) 0.129(6) Uani 1 1 d D U . . .
H7A_63 H 0.906895 0.290649 0.171330 0.193 Uiso 1 1 calc R U . . .
H7B_63 H 0.878034 0.271783 0.199948 0.193 Uiso 1 1 calc R U . . .
H7C_63 H 0.861476 0.294722 0.172434 0.193 Uiso 1 1 calc R U . . .
C8_63 C 0.7917(4) 0.3845(5) 0.2518(4) 0.105(6) Uani 1 1 d D U . . .
H8A_63 H 0.792832 0.407951 0.258128 0.157 Uiso 1 1 calc R U . . .
H8B_63 H 0.770469 0.388163 0.241643 0.157 Uiso 1 1 calc R U . . .
H8C_63 H 0.787081 0.365168 0.269115 0.157 Uiso 1 1 calc R U . . .
S1_64 S 0.85692(18) 0.4623(2) 0.15303(13) 0.0967(17) Uani 1 1 d D U . . .
C1_64 C 0.8334(2) 0.4442(5) 0.1307(3) 0.132(4) Uani 1 1 d D U . . .
C2_64 C 0.8139(3) 0.4651(5) 0.1095(3) 0.142(4) Uani 1 1 d D U . . .
H2_64 H 0.812248 0.491420 0.106003 0.170 Uiso 1 1 calc R U . . .
C3_64 C 0.7962(4) 0.4472(5) 0.0929(3) 0.142(4) Uani 1 1 d D U . . .
C4_64 C 0.7988(4) 0.4080(5) 0.0984(3) 0.146(4) Uani 1 1 d D U . . .
H4_64 H 0.787212 0.395839 0.087676 0.176 Uiso 1 1 calc R U . . .
C5_64 C 0.8182(4) 0.3867(5) 0.1194(4) 0.143(4) Uani 1 1 d D U . . .
C6_64 C 0.8357(4) 0.4045(5) 0.1357(4) 0.143(4) Uani 1 1 d D U . . .
H6_64 H 0.848788 0.390041 0.150049 0.172 Uiso 1 1 calc R U . . .
C7_64 C 0.7742(6) 0.4687(5) 0.0694(4) 0.152(6) Uani 1 1 d D U . . .
H7A_64 H 0.774590 0.495467 0.067805 0.228 Uiso 1 1 calc R U . . .
H7B_64 H 0.786961 0.460550 0.050163 0.228 Uiso 1 1 calc R U . . .
H7C_64 H 0.747213 0.463721 0.075261 0.228 Uiso 1 1 calc R U . . .
C8_64 C 0.8214(6) 0.3439(5) 0.1254(4) 0.165(7) Uani 1 1 d D U . . .
H8A_64 H 0.835937 0.333929 0.140754 0.247 Uiso 1 1 calc R U . . .
H8B_64 H 0.795224 0.336683 0.132195 0.247 Uiso 1 1 calc R U . . .
H8C_64 H 0.835024 0.333699 0.107135 0.247 Uiso 1 1 calc R U . . .
S1_65 S 0.79661(13) 0.53248(15) 0.32008(10) 0.0650(12) Uani 1 1 d D U . . .
C1_65 C 0.7631(2) 0.5017(3) 0.3449(2) 0.067(3) Uani 1 1 d D U . . .
C2_65 C 0.7633(3) 0.4653(3) 0.3392(3) 0.071(3) Uani 1 1 d D U . . .
H2_65 H 0.780865 0.456225 0.322407 0.085 Uiso 1 1 calc R U . . .
C3_65 C 0.7367(3) 0.4424(3) 0.3592(3) 0.071(3) Uani 1 1 d D U . . .
C4_65 C 0.7112(3) 0.4573(4) 0.3838(3) 0.073(3) Uani 1 1 d D U . . .
H4_65 H 0.693485 0.442054 0.396970 0.088 Uiso 1 1 calc R U . . .
C5_65 C 0.7103(3) 0.4933(4) 0.3900(3) 0.070(3) Uani 1 1 d D U . . .
C6_65 C 0.7368(3) 0.5158(4) 0.3701(2) 0.069(3) Uani 1 1 d D U . . .
H6_65 H 0.737026 0.540240 0.373432 0.082 Uiso 1 1 calc R U . . .
C7_65 C 0.7366(4) 0.4027(4) 0.3533(4) 0.080(4) Uani 1 1 d D U . . .
H7A_65 H 0.756441 0.397822 0.335236 0.120 Uiso 1 1 calc R U . . .
H7B_65 H 0.742515 0.384449 0.370140 0.120 Uiso 1 1 calc R U . . .
H7C_65 H 0.710956 0.400637 0.350850 0.120 Uiso 1 1 calc R U . . .
C8_65 C 0.6823(4) 0.5089(5) 0.4170(3) 0.085(5) Uani 1 1 d D U . . .
H8A_65 H 0.686757 0.534261 0.416907 0.128 Uiso 1 1 calc R U . . .
H8B_65 H 0.655381 0.509296 0.415949 0.128 Uiso 1 1 calc R U . . .
H8C_65 H 0.686963 0.493029 0.435206 0.128 Uiso 1 1 calc R U . . .
S1_66 S 0.83695(15) 0.59370(18) 0.13078(13) 0.0854(15) Uani 1 1 d D U . . .
C1_66 C 0.7897(3) 0.6050(3) 0.1213(2) 0.099(3) Uani 1 1 d D U . . .
C2_66 C 0.7589(4) 0.6316(4) 0.1339(3) 0.105(4) Uani 1 1 d D U . . .
H2_66 H 0.762403 0.644699 0.148174 0.126 Uiso 1 1 calc R U . . .
C3_66 C 0.7225(4) 0.6389(4) 0.1251(3) 0.106(4) Uani 1 1 d D U . . .
C4_66 C 0.7174(5) 0.6196(4) 0.1041(3) 0.108(4) Uani 1 1 d D U . . .
H4_66 H 0.693326 0.624353 0.098460 0.129 Uiso 1 1 calc R U . . .
C5_66 C 0.7472(4) 0.5934(4) 0.0914(3) 0.108(4) Uani 1 1 d D U . . .
C6_66 C 0.7833(4) 0.5860(4) 0.1000(3) 0.106(4) Uani 1 1 d D U . . .
H6_66 H 0.803472 0.567976 0.091345 0.128 Uiso 1 1 calc R U . . .
C7_66 C 0.6891(5) 0.6677(5) 0.1387(4) 0.114(6) Uani 1 1 d D U . . .
H7A_66 H 0.697342 0.678698 0.152899 0.171 Uiso 1 1 calc R U . . .
H7B_66 H 0.682463 0.687315 0.122917 0.171 Uiso 1 1 calc R U . . .
H7C_66 H 0.666314 0.655369 0.148888 0.171 Uiso 1 1 calc R U . . .
C8_66 C 0.7412(6) 0.5722(4) 0.0680(4) 0.126(5) Uani 1 1 d D U . . .
H8A_66 H 0.764918 0.555014 0.061511 0.189 Uiso 1 1 calc R U . . .
H8B_66 H 0.719350 0.558091 0.076883 0.189 Uiso 1 1 calc R U . . .
H8C_66 H 0.735532 0.590101 0.050987 0.189 Uiso 1 1 calc R U . . .
S1_67 S 0.92276(16) 0.55690(18) 0.39221(12) 0.0867(15) Uani 1 1 d D U . . .
C1_67 C 0.9072(3) 0.5413(3) 0.4317(3) 0.125(4) Uani 1 1 d D U . . .
C2_67 C 0.9259(4) 0.5524(4) 0.4506(3) 0.133(4) Uani 1 1 d D U . . .
H2_67 H 0.945835 0.567585 0.442010 0.160 Uiso 1 1 calc R U . . .
C3_67 C 0.9164(4) 0.5420(4) 0.4822(4) 0.136(4) Uani 1 1 d D U . . .
C4_67 C 0.8868(4) 0.5196(4) 0.4940(4) 0.138(4) Uani 1 1 d D U . . .
H4_67 H 0.879692 0.512079 0.514845 0.165 Uiso 1 1 calc R U . . .
C5_67 C 0.8675(4) 0.5080(4) 0.4760(4) 0.136(4) Uani 1 1 d D U . . .
C6_67 C 0.8773(4) 0.5186(4) 0.4443(4) 0.132(4) Uani 1 1 d D U . . .
H6_67 H 0.864211 0.510652 0.432140 0.159 Uiso 1 1 calc R U . . .
C7_67 C 0.9390(6) 0.5558(6) 0.5008(5) 0.147(6) Uani 1 1 d D U . . .
H7A_67 H 0.958140 0.570955 0.487645 0.220 Uiso 1 1 calc R U . . .
H7B_67 H 0.920636 0.570936 0.514882 0.220 Uiso 1 1 calc R U . . .
H7C_67 H 0.952382 0.534354 0.511794 0.220 Uiso 1 1 calc R U . . .
C8_67 C 0.8347(5) 0.4831(6) 0.4898(5) 0.147(6) Uani 1 1 d D U . . .
H8A_67 H 0.824527 0.477733 0.473971 0.221 Uiso 1 1 calc R U . . .
H8B_67 H 0.845358 0.459660 0.500449 0.221 Uiso 1 1 calc R U . . .
H8C_67 H 0.813607 0.496232 0.503597 0.221 Uiso 1 1 calc R U . . .
S1_68 S 0.96599(17) 0.4975(2) 0.10807(13) 0.0957(17) Uani 1 1 d D U . . .
C1_68 C 0.9350(3) 0.5234(5) 0.08302(19) 0.134(4) Uani 1 1 d D U . . .
C2_68 C 0.9147(4) 0.5038(6) 0.0702(3) 0.145(4) Uani 1 1 d D U . . .
H2_68 H 0.916841 0.477366 0.074245 0.174 Uiso 1 1 calc R U . . .
C3_68 C 0.8907(4) 0.5252(6) 0.0506(3) 0.148(5) Uani 1 1 d D U . . .
C4_68 C 0.8880(4) 0.5641(6) 0.0450(3) 0.152(5) Uani 1 1 d D U . . .
H4_68 H 0.872185 0.577577 0.032125 0.183 Uiso 1 1 calc R U . . .
C5_68 C 0.9073(4) 0.5839(5) 0.0572(3) 0.149(5) Uani 1 1 d D U . . .
C6_68 C 0.9312(4) 0.5630(5) 0.0765(3) 0.146(5) Uani 1 1 d D U . . .
H6_68 H 0.944751 0.575915 0.085195 0.176 Uiso 1 1 calc R U . . .
C7_68 C 0.8680(6) 0.5042(8) 0.0361(5) 0.169(6) Uani 1 1 d D U . . .
H7A_68 H 0.873350 0.477344 0.042559 0.254 Uiso 1 1 calc R U . . .
H7B_68 H 0.839962 0.512690 0.042331 0.254 Uiso 1 1 calc R U . . .
H7C_68 H 0.876467 0.509626 0.014466 0.254 Uiso 1 1 calc R U . . .
C8_68 C 0.9040(6) 0.6269(6) 0.0506(5) 0.175(7) Uani 1 1 d D U . . .
H8A_68 H 0.919843 0.635369 0.061334 0.263 Uiso 1 1 calc R U . . .
H8B_68 H 0.913377 0.634774 0.029226 0.263 Uiso 1 1 calc R U . . .
H8C_68 H 0.876745 0.637934 0.056989 0.263 Uiso 1 1 calc R U . . .
S1_69 S 0.84793(16) 0.40245(16) 0.31592(13) 0.0812(14) Uani 1 1 d D U . . .
C1_69 C 0.8747(2) 0.3554(3) 0.3172(4) 0.103(4) Uani 1 1 d D U . . .
C2_69 C 0.8863(3) 0.3375(4) 0.2918(4) 0.105(4) Uani 1 1 d D U . . .
H2_69 H 0.880066 0.350433 0.273869 0.126 Uiso 1 1 calc R U . . .
C3_69 C 0.9072(4) 0.3009(4) 0.2922(4) 0.107(4) Uani 1 1 d D U . . .
C4_69 C 0.9160(4) 0.2826(5) 0.3191(4) 0.113(4) Uani 1 1 d D U . . .
H4_69 H 0.929982 0.258012 0.320075 0.136 Uiso 1 1 calc R U . . .
C5_69 C 0.9045(4) 0.3000(4) 0.3446(4) 0.112(4) Uani 1 1 d D U . . .
C6_69 C 0.8837(3) 0.3368(4) 0.3441(4) 0.108(4) Uani 1 1 d D U . . .
H6_69 H 0.876162 0.348581 0.361330 0.130 Uiso 1 1 calc R U . . .
C7_69 C 0.9194(5) 0.2822(6) 0.2640(4) 0.115(6) Uani 1 1 d D U . . .
H7A_69 H 0.910666 0.299326 0.247753 0.173 Uiso 1 1 calc R U . . .
H7B_69 H 0.947872 0.275931 0.258619 0.173 Uiso 1 1 calc R U . . .
H7C_69 H 0.907592 0.259363 0.267854 0.173 Uiso 1 1 calc R U . . .
C8_69 C 0.9150(5) 0.2785(6) 0.3734(4) 0.140(6) Uani 1 1 d D U . . .
H8A_69 H 0.905207 0.294035 0.389173 0.211 Uiso 1 1 calc R U . . .
H8B_69 H 0.903192 0.255537 0.379268 0.211 Uiso 1 1 calc R U . . .
H8C_69 H 0.943403 0.272220 0.370094 0.211 Uiso 1 1 calc R U . . .
S1_70 S 1.02261(18) 0.7091(2) 0.17386(15) 0.1079(18) Uani 1 1 d D U . . .
C1_70 C 1.0625(3) 0.7362(4) 0.1543(3) 0.137(4) Uani 1 1 d D U . . .
C2_70 C 1.0871(4) 0.7285(5) 0.1268(3) 0.149(5) Uani 1 1 d D U . . .
H2_70 H 1.083089 0.708888 0.118053 0.179 Uiso 1 1 calc R U . . .
C3_70 C 1.1181(4) 0.7500(5) 0.1120(4) 0.148(5) Uani 1 1 d D U . . .
C4_70 C 1.1232(5) 0.7788(5) 0.1255(4) 0.151(5) Uani 1 1 d D U . . .
H4_70 H 1.143624 0.793037 0.115707 0.181 Uiso 1 1 calc R U . . .
C5_70 C 1.0999(5) 0.7874(4) 0.1526(4) 0.145(4) Uani 1 1 d D U . . .
C6_70 C 1.0693(4) 0.7656(4) 0.1669(4) 0.144(4) Uani 1 1 d D U . . .
H6_70 H 1.053004 0.770960 0.185354 0.173 Uiso 1 1 calc R U . . .
C7_70 C 1.1459(6) 0.7426(7) 0.0816(4) 0.172(7) Uani 1 1 d D U . . .
H7A_70 H 1.138711 0.721880 0.075051 0.258 Uiso 1 1 calc R U . . .
H7B_70 H 1.143769 0.765051 0.066876 0.258 Uiso 1 1 calc R U . . .
H7C_70 H 1.172791 0.736305 0.083854 0.258 Uiso 1 1 calc R U . . .
C8_70 C 1.1061(6) 0.8190(6) 0.1671(5) 0.151(6) Uani 1 1 d D U . . .
H8A_70 H 1.086656 0.820440 0.185926 0.227 Uiso 1 1 calc R U . . .
H8B_70 H 1.132254 0.813892 0.170730 0.227 Uiso 1 1 calc R U . . .
H8C_70 H 1.103201 0.842694 0.153816 0.227 Uiso 1 1 calc R U . . .
S1_71 S 1.10955(17) 0.4681(2) 0.22408(16) 0.1116(19) Uani 1 1 d D U . . .
C1_71 C 1.1473(3) 0.4505(5) 0.2447(2) 0.135(4) Uani 1 1 d D U . . .
C2_71 C 1.1693(4) 0.4153(5) 0.2407(3) 0.140(4) Uani 1 1 d D U . . .
H2_71 H 1.164303 0.401356 0.227553 0.168 Uiso 1 1 calc R U . . .
C3_71 C 1.1992(4) 0.4005(5) 0.2565(4) 0.140(4) Uani 1 1 d D U . . .
C4_71 C 1.2059(5) 0.4217(5) 0.2759(4) 0.142(4) Uani 1 1 d D U . . .
H4_71 H 1.225682 0.411776 0.286330 0.171 Uiso 1 1 calc R U . . .
C5_71 C 1.1847(4) 0.4568(5) 0.2806(3) 0.141(4) Uani 1 1 d D U . . .
C6_71 C 1.1553(4) 0.4709(5) 0.2647(3) 0.140(4) Uani 1 1 d D U . . .
H6_71 H 1.140497 0.494665 0.267389 0.168 Uiso 1 1 calc R U . . .
C7_71 C 1.2227(6) 0.3617(5) 0.2515(5) 0.149(6) Uani 1 1 d D U . . .
H7A_71 H 1.213441 0.351804 0.237249 0.224 Uiso 1 1 calc R U . . .
H7B_71 H 1.250392 0.363943 0.243824 0.224 Uiso 1 1 calc R U . . .
H7C_71 H 1.219123 0.344692 0.270416 0.224 Uiso 1 1 calc R U . . .
C8_71 C 1.1917(6) 0.4804(7) 0.3017(4) 0.152(6) Uani 1 1 d D U . . .
H8A_71 H 1.173621 0.503797 0.301459 0.228 Uiso 1 1 calc R U . . .
H8B_71 H 1.187507 0.466563 0.321896 0.228 Uiso 1 1 calc R U . . .
H8C_71 H 1.218575 0.485918 0.295199 0.228 Uiso 1 1 calc R U . . .
S1_72 S 1.06886(18) 0.5906(2) 0.14590(14) 0.1103(19) Uani 1 1 d D U . . .
C1_72 C 1.1202(4) 0.5853(4) 0.1467(2) 0.155(4) Uani 1 1 d D U . . .
C2_72 C 1.1385(5) 0.5538(5) 0.1626(3) 0.171(5) Uani 1 1 d D U . . .
H2_72 H 1.124475 0.534191 0.173621 0.206 Uiso 1 1 calc R U . . .
C3_72 C 1.1795(5) 0.5522(5) 0.1618(3) 0.173(5) Uani 1 1 d D U . . .
C4_72 C 1.2011(6) 0.5806(5) 0.1458(3) 0.174(5) Uani 1 1 d D U . . .
H4_72 H 1.227808 0.578415 0.145774 0.209 Uiso 1 1 calc R U . . .
C5_72 C 1.1834(5) 0.6122(5) 0.1298(3) 0.169(5) Uani 1 1 d D U . . .
C6_72 C 1.1429(5) 0.6138(5) 0.1307(3) 0.166(5) Uani 1 1 d D U . . .
H6_72 H 1.130460 0.634994 0.120037 0.199 Uiso 1 1 calc R U . . .
C7_72 C 1.2004(7) 0.5178(6) 0.1793(5) 0.204(8) Uani 1 1 d D U . . .
H7A_72 H 1.181855 0.500335 0.189350 0.305 Uiso 1 1 calc R U . . .
H7B_72 H 1.222128 0.505295 0.165504 0.305 Uiso 1 1 calc R U . . .
H7C_72 H 1.210297 0.525990 0.194061 0.305 Uiso 1 1 calc R U . . .
C8_72 C 1.2093(7) 0.6423(7) 0.1127(5) 0.187(8) Uani 1 1 d D U . . .
H8A_72 H 1.193774 0.662776 0.102540 0.281 Uiso 1 1 calc R U . . .
H8B_72 H 1.219347 0.651846 0.126766 0.281 Uiso 1 1 calc R U . . .
H8C_72 H 1.231109 0.631271 0.098147 0.281 Uiso 1 1 calc R U . . .
S1_73 S 0.80850(15) 0.63126(17) 0.22485(12) 0.0772(14) Uani 1 1 d D U . . .
C1_73 C 0.81617(14) 0.6803(3) 0.2165(3) 0.088(3) Uani 1 1 d D U . . .
C2_73 C 0.8245(2) 0.6993(4) 0.1871(3) 0.092(3) Uani 1 1 d D U . . .
H2_73 H 0.826387 0.686710 0.170972 0.110 Uiso 1 1 calc R U . . .
C3_73 C 0.8302(3) 0.7376(4) 0.1818(3) 0.095(3) Uani 1 1 d D U . . .
C4_73 C 0.8273(3) 0.7550(5) 0.2062(3) 0.093(3) Uani 1 1 d D U . . .
H4_73 H 0.831116 0.780407 0.202714 0.112 Uiso 1 1 calc R U . . .
C5_73 C 0.8192(3) 0.7370(4) 0.2354(3) 0.090(3) Uani 1 1 d D U . . .
C6_73 C 0.8135(3) 0.6989(4) 0.2412(4) 0.090(3) Uani 1 1 d D U . . .
H6_73 H 0.808149 0.686096 0.260895 0.108 Uiso 1 1 calc R U . . .
C7_73 C 0.8395(4) 0.7578(6) 0.1490(4) 0.119(6) Uani 1 1 d D U . . .
H7A_73 H 0.840107 0.740478 0.135574 0.178 Uiso 1 1 calc R U . . .
H7B_73 H 0.819286 0.779252 0.146554 0.178 Uiso 1 1 calc R U . . .
H7C_73 H 0.864866 0.766489 0.144371 0.178 Uiso 1 1 calc R U . . .
C8_73 C 0.8160(4) 0.7571(5) 0.2619(4) 0.096(5) Uani 1 1 d D U . . .
H8A_73 H 0.810130 0.739693 0.280454 0.144 Uiso 1 1 calc R U . . .
H8B_73 H 0.840687 0.765935 0.260001 0.144 Uiso 1 1 calc R U . . .
H8C_73 H 0.795065 0.778347 0.262189 0.144 Uiso 1 1 calc R U . . .
S1_74 S 0.91074(16) 0.70809(18) 0.26986(14) 0.0921(16) Uani 1 1 d D U . . .
C1_74 C 0.9297(2) 0.7457(3) 0.2409(3) 0.118(4) Uani 1 1 d D U . . .
C2_74 C 0.9247(3) 0.7475(4) 0.2119(4) 0.124(4) Uani 1 1 d D U . . .
H2_74 H 0.911793 0.729626 0.207840 0.149 Uiso 1 1 calc R U . . .
C3_74 C 0.9392(3) 0.7766(4) 0.1885(4) 0.128(4) Uani 1 1 d D U . . .
C4_74 C 0.9580(3) 0.8023(5) 0.1956(4) 0.129(4) Uani 1 1 d D U . . .
H4_74 H 0.967744 0.821414 0.180379 0.154 Uiso 1 1 calc R U . . .
C5_74 C 0.9633(4) 0.8011(4) 0.2241(4) 0.124(4) Uani 1 1 d D U . . .
C6_74 C 0.9492(3) 0.7726(4) 0.2474(4) 0.121(4) Uani 1 1 d D U . . .
H6_74 H 0.952683 0.771372 0.266780 0.146 Uiso 1 1 calc R U . . .
C7_74 C 0.9328(4) 0.7773(6) 0.1571(4) 0.140(6) Uani 1 1 d D U . . .
H7A_74 H 0.918974 0.756636 0.157483 0.209 Uiso 1 1 calc R U . . .
H7B_74 H 0.917349 0.800975 0.151126 0.209 Uiso 1 1 calc R U . . .
H7C_74 H 0.958103 0.774598 0.142795 0.209 Uiso 1 1 calc R U . . .
C8_74 C 0.9843(5) 0.8300(5) 0.2314(5) 0.139(6) Uani 1 1 d D U . . .
H8A_74 H 0.985057 0.824466 0.252346 0.208 Uiso 1 1 calc R U . . .
H8B_74 H 1.011009 0.828725 0.219028 0.208 Uiso 1 1 calc R U . . .
H8C_74 H 0.970250 0.855118 0.227285 0.208 Uiso 1 1 calc R U . . .
S1_75 S 0.94717(17) 0.71975(19) 0.34609(14) 0.0947(17) Uani 1 1 d D U . . .
C1_75 C 0.9291(4) 0.7673(3) 0.33120(15) 0.119(4) Uani 1 1 d D U . . .
C2_75 C 0.8919(4) 0.7772(5) 0.3257(2) 0.120(4) Uani 1 1 d D U . . .
H2_75 H 0.875096 0.758895 0.329815 0.145 Uiso 1 1 calc R U . . .
C3_75 C 0.8789(4) 0.8148(5) 0.3140(3) 0.125(4) Uani 1 1 d D U . . .
C4_75 C 0.9045(5) 0.8412(5) 0.3083(3) 0.128(4) Uani 1 1 d D U . . .
H4_75 H 0.896188 0.866183 0.300574 0.154 Uiso 1 1 calc R U . . .
C5_75 C 0.9419(5) 0.8317(5) 0.3137(3) 0.129(4) Uani 1 1 d D U . . .
C6_75 C 0.9552(5) 0.7939(4) 0.3254(3) 0.123(4) Uani 1 1 d D U . . .
H6_75 H 0.980444 0.786994 0.329236 0.148 Uiso 1 1 calc R U . . .
C7_75 C 0.8372(5) 0.8251(7) 0.3082(4) 0.137(6) Uani 1 1 d D U . . .
H7A_75 H 0.824220 0.802794 0.313581 0.206 Uiso 1 1 calc R U . . .
H7B_75 H 0.822064 0.844130 0.320161 0.206 Uiso 1 1 calc R U . . .
H7C_75 H 0.839080 0.834752 0.287108 0.206 Uiso 1 1 calc R U . . .
C8_75 C 0.9697(6) 0.8612(6) 0.3072(5) 0.137(6) Uani 1 1 d D U . . .
H8A_75 H 0.994313 0.849404 0.312276 0.206 Uiso 1 1 calc R U . . .
H8B_75 H 0.974694 0.871626 0.286067 0.206 Uiso 1 1 calc R U . . .
H8C_75 H 0.957614 0.881136 0.319079 0.206 Uiso 1 1 calc R U . . .
S1_76 S 0.84266(16) 0.66007(18) 0.40417(13) 0.0898(16) Uani 1 1 d D U . . .
C1_76 C 0.8504(4) 0.6482(3) 0.4414(3) 0.124(4) Uani 1 1 d D U . . .
C2_76 C 0.8247(4) 0.6259(3) 0.4629(3) 0.131(4) Uani 1 1 d D U . . .
H2_76 H 0.804604 0.617878 0.457077 0.158 Uiso 1 1 calc R U . . .
C3_76 C 0.8285(4) 0.6150(4) 0.4931(4) 0.133(4) Uani 1 1 d D U . . .
C4_76 C 0.8585(4) 0.6273(4) 0.5010(4) 0.136(4) Uani 1 1 d D U . . .
H4_76 H 0.861640 0.620581 0.520737 0.163 Uiso 1 1 calc R U . . .
C5_76 C 0.8841(4) 0.6493(4) 0.4800(4) 0.133(4) Uani 1 1 d D U . . .
C6_76 C 0.8808(4) 0.6604(4) 0.4496(4) 0.134(4) Uani 1 1 d D U . . .
H6_76 H 0.898278 0.675248 0.435698 0.160 Uiso 1 1 calc R U . . .
C7_76 C 0.7992(6) 0.5904(5) 0.5154(4) 0.140(6) Uani 1 1 d D U . . .
H7A_76 H 0.780826 0.585179 0.505141 0.210 Uiso 1 1 calc R U . . .
H7B_76 H 0.813572 0.566871 0.522957 0.210 Uiso 1 1 calc R U . . .
H7C_76 H 0.784871 0.603703 0.531917 0.210 Uiso 1 1 calc R U . . .
C8_76 C 0.9174(5) 0.6629(6) 0.4887(5) 0.148(6) Uani 1 1 d D U . . .
H8A_76 H 0.932089 0.677782 0.471406 0.222 Uiso 1 1 calc R U . . .
H8B_76 H 0.906138 0.678196 0.504568 0.222 Uiso 1 1 calc R U . . .
H8C_76 H 0.934830 0.641311 0.495724 0.222 Uiso 1 1 calc R U . . .
S1_77 S 0.80090(14) 0.56998(16) 0.38575(11) 0.0737(13) Uani 1 1 d D U . . .
C1_77 C 0.7671(2) 0.5874(4) 0.4174(2) 0.081(3) Uani 1 1 d D U . . .
C2_77 C 0.7535(3) 0.5650(5) 0.4449(3) 0.087(3) Uani 1 1 d D U . . .
H2_77 H 0.762349 0.538961 0.447458 0.104 Uiso 1 1 calc R U . . .
C3_77 C 0.7262(3) 0.5818(4) 0.4690(3) 0.086(3) Uani 1 1 d D U . . .
C4_77 C 0.7141(3) 0.6201(4) 0.4644(3) 0.090(3) Uani 1 1 d D U . . .
H4_77 H 0.696259 0.631230 0.480123 0.109 Uiso 1 1 calc R U . . .
C5_77 C 0.7269(3) 0.6430(4) 0.4374(3) 0.088(3) Uani 1 1 d D U . . .
C6_77 C 0.7537(3) 0.6263(4) 0.4137(3) 0.085(3) Uani 1 1 d D U . . .
H6_77 H 0.762584 0.641382 0.395315 0.102 Uiso 1 1 calc R U . . .
C7_77 C 0.7122(5) 0.5562(6) 0.4987(3) 0.108(6) Uani 1 1 d D U . . .
H7A_77 H 0.724457 0.530464 0.496955 0.162 Uiso 1 1 calc R U . . .
H7B_77 H 0.719439 0.564497 0.514723 0.162 Uiso 1 1 calc R U . . .
H7C_77 H 0.683823 0.557544 0.503089 0.162 Uiso 1 1 calc R U . . .
C8_77 C 0.7137(5) 0.6856(4) 0.4318(4) 0.105(5) Uani 1 1 d D U . . .
H8A_77 H 0.726327 0.695639 0.411529 0.158 Uiso 1 1 calc R U . . .
H8B_77 H 0.685343 0.690505 0.434368 0.158 Uiso 1 1 calc R U . . .
H8C_77 H 0.721008 0.697481 0.445934 0.158 Uiso 1 1 calc R U . . .
S1_78 S 1.03441(15) 0.68281(19) 0.27239(14) 0.0919(15) Uani 1 1 d D U . . .
C1_78 C 1.04774(15) 0.7216(3) 0.2845(4) 0.101(3) Uani 1 1 d D U . . .
C2_78 C 1.0586(2) 0.7544(4) 0.2653(4) 0.106(4) Uani 1 1 d D U . . .
H2_78 H 1.059189 0.757018 0.244854 0.127 Uiso 1 1 calc R U . . .
C3_78 C 1.0687(3) 0.7837(4) 0.2767(4) 0.107(4) Uani 1 1 d D U . . .
C4_78 C 1.0672(3) 0.7782(4) 0.3071(4) 0.108(4) Uani 1 1 d D U . . .
H4_78 H 1.073852 0.797411 0.314855 0.129 Uiso 1 1 calc R U . . .
C5_78 C 1.0567(3) 0.7464(4) 0.3269(3) 0.106(4) Uani 1 1 d D U . . .
C6_78 C 1.0467(3) 0.7174(4) 0.3152(4) 0.104(4) Uani 1 1 d D U . . .
H6_78 H 1.039408 0.695439 0.327941 0.125 Uiso 1 1 calc R U . . .
C7_78 C 1.0805(4) 0.8192(5) 0.2553(4) 0.118(6) Uani 1 1 d D U . . .
H7A_78 H 1.079472 0.817052 0.235171 0.177 Uiso 1 1 calc R U . . .
H7B_78 H 1.062394 0.841078 0.261743 0.177 Uiso 1 1 calc R U . . .
H7C_78 H 1.106987 0.822069 0.255352 0.177 Uiso 1 1 calc R U . . .
C8_78 C 1.0553(4) 0.7408(6) 0.3606(4) 0.110(5) Uani 1 1 d D U . . .
H8A_78 H 1.047149 0.716555 0.369986 0.165 Uiso 1 1 calc R U . . .
H8B_78 H 1.081159 0.741607 0.363259 0.165 Uiso 1 1 calc R U . . .
H8C_78 H 1.036581 0.760657 0.369677 0.165 Uiso 1 1 calc R U . . .
S1_79 S 0.87177(12) 0.62923(16) 0.32229(11) 0.0700(13) Uani 1 1 d D U . . .
C1_79 C 0.8214(3) 0.6511(3) 0.32560(14) 0.083(3) Uani 1 1 d D U . . .
C2_79 C 0.7930(4) 0.6350(4) 0.3189(2) 0.085(3) Uani 1 1 d D U . . .
H2_79 H 0.799656 0.611395 0.312249 0.102 Uiso 1 1 calc R U . . .
C3_79 C 0.7542(4) 0.6540(4) 0.3221(3) 0.089(3) Uani 1 1 d D U . . .
C4_79 C 0.7441(4) 0.6888(4) 0.3318(2) 0.092(3) Uani 1 1 d D U . . .
H4_79 H 0.718126 0.701156 0.333760 0.110 Uiso 1 1 calc R U . . .
C5_79 C 0.7715(4) 0.7059(4) 0.3388(3) 0.091(3) Uani 1 1 d D U . . .
C6_79 C 0.8105(4) 0.6866(4) 0.3356(2) 0.088(3) Uani 1 1 d D U . . .
H6_79 H 0.829496 0.697718 0.340179 0.106 Uiso 1 1 calc R U . . .
C7_79 C 0.7239(5) 0.6344(5) 0.3143(4) 0.098(5) Uani 1 1 d D U . . .
H7A_79 H 0.736752 0.610446 0.307952 0.147 Uiso 1 1 calc R U . . .
H7B_79 H 0.702582 0.630097 0.331836 0.147 Uiso 1 1 calc R U . . .
H7C_79 H 0.713462 0.650291 0.298217 0.147 Uiso 1 1 calc R U . . .
C8_79 C 0.7620(5) 0.7441(4) 0.3497(4) 0.099(5) Uani 1 1 d D U . . .
H8A_79 H 0.785491 0.750425 0.353244 0.148 Uiso 1 1 calc R U . . .
H8B_79 H 0.752748 0.763155 0.334659 0.148 Uiso 1 1 calc R U . . .
H8C_79 H 0.741700 0.742880 0.368242 0.148 Uiso 1 1 calc R U . . .
S1_80 S 1.07633(16) 0.5896(2) 0.24695(14) 0.0950(16) Uani 1 1 d D U . . .
C1_80 C 1.1207(4) 0.6095(4) 0.2279(2) 0.123(4) Uani 1 1 d D U . . .
C2_80 C 1.1560(4) 0.5885(5) 0.2336(3) 0.137(4) Uani 1 1 d D U . . .
H2_80 H 1.155574 0.565579 0.246740 0.165 Uiso 1 1 calc R U . . .
C3_80 C 1.1921(5) 0.6022(5) 0.2196(3) 0.138(4) Uani 1 1 d D U . . .
C4_80 C 1.1908(5) 0.6366(5) 0.2003(3) 0.137(4) Uani 1 1 d D U . . .
H4_80 H 1.214651 0.645768 0.190862 0.164 Uiso 1 1 calc R U . . .
C5_80 C 1.1568(5) 0.6577(4) 0.1942(3) 0.130(4) Uani 1 1 d D U . . .
C6_80 C 1.1208(5) 0.6438(4) 0.2083(3) 0.127(4) Uani 1 1 d D U . . .
H6_80 H 1.097012 0.657544 0.204501 0.153 Uiso 1 1 calc R U . . .
C7_80 C 1.2300(5) 0.5786(6) 0.2264(5) 0.167(7) Uani 1 1 d D U . . .
H7A_80 H 1.223666 0.556017 0.240348 0.250 Uiso 1 1 calc R U . . .
H7B_80 H 1.247594 0.571518 0.207996 0.250 Uiso 1 1 calc R U . . .
H7C_80 H 1.242830 0.593201 0.235248 0.250 Uiso 1 1 calc R U . . .
C8_80 C 1.1575(6) 0.6952(5) 0.1728(4) 0.124(6) Uani 1 1 d D U . . .
H8A_80 H 1.130895 0.705874 0.171355 0.187 Uiso 1 1 calc R U . . .
H8B_80 H 1.168664 0.712467 0.180413 0.187 Uiso 1 1 calc R U . . .
H8C_80 H 1.173426 0.690836 0.153132 0.187 Uiso 1 1 calc R U . . .
S1_81 S 0.96504(13) 0.61325(16) 0.32723(12) 0.0756(14) Uani 1 1 d D U . . .
C1_81 C 1.0057(3) 0.6087(2) 0.3444(3) 0.083(3) Uani 1 1 d D U . . .
C2_81 C 1.0428(4) 0.5894(3) 0.3327(3) 0.087(3) Uani 1 1 d D U . . .
H2_81 H 1.047309 0.578172 0.315436 0.105 Uiso 1 1 calc R U . . .
C3_81 C 1.0735(4) 0.5870(3) 0.3476(3) 0.089(3) Uani 1 1 d D U . . .
C4_81 C 1.0664(4) 0.6035(3) 0.3730(3) 0.091(3) Uani 1 1 d D U . . .
H4_81 H 1.086981 0.601662 0.382564 0.109 Uiso 1 1 calc R U . . .
C5_81 C 1.0299(4) 0.6227(4) 0.3850(3) 0.089(3) Uani 1 1 d D U . . .
C6_81 C 0.9994(4) 0.6251(3) 0.3702(3) 0.089(3) Uani 1 1 d D U . . .
H6_81 H 0.974406 0.637911 0.377948 0.107 Uiso 1 1 calc R U . . .
C7_81 C 1.1144(4) 0.5655(5) 0.3346(4) 0.104(5) Uani 1 1 d D U . . .
H7A_81 H 1.113736 0.556006 0.316865 0.156 Uiso 1 1 calc R U . . .
H7B_81 H 1.133942 0.582491 0.329461 0.156 Uiso 1 1 calc R U . . .
H7C_81 H 1.121231 0.544677 0.349521 0.156 Uiso 1 1 calc R U . . .
C8_81 C 1.0219(6) 0.6412(5) 0.4132(3) 0.110(5) Uani 1 1 d D U . . .
H8A_81 H 0.994722 0.653118 0.417842 0.164 Uiso 1 1 calc R U . . .
H8B_81 H 1.026745 0.622159 0.429883 0.164 Uiso 1 1 calc R U . . .
H8C_81 H 1.039179 0.660010 0.409715 0.164 Uiso 1 1 calc R U . . .
S1_82 S 0.9721(9) 0.3709(13) 0.1058(7) 0.157(3) Uani 0.188(2) 1 d D U P A 2
C1_82 C 0.9728(6) 0.3518(10) 0.0725(6) 0.159(4) Uani 0.188(2) 1 d D U P A 2
C2_82 C 0.9862(5) 0.3722(10) 0.0443(6) 0.163(4) Uani 0.188(2) 1 d D U P A 2
H2_82 H 0.994728 0.395424 0.042778 0.196 Uiso 0.188(2) 1 calc R U P A 2
C3_82 C 0.9871(6) 0.3579(9) 0.0177(6) 0.162(5) Uani 0.188(2) 1 d D U P A 2
C4_82 C 0.9746(11) 0.3237(10) 0.0198(8) 0.162(5) Uani 0.188(2) 1 d D U P A 2
H4_82 H 0.975176 0.314363 0.002312 0.194 Uiso 0.188(2) 1 calc R U P A 2
C5_82 C 0.9610(14) 0.3029(11) 0.0479(9) 0.161(5) Uani 0.188(2) 1 d D U P A 2
C6_82 C 0.9601(10) 0.3171(10) 0.0744(8) 0.161(5) Uani 0.188(2) 1 d D U P A 2
H6_82 H 0.950944 0.303134 0.093319 0.193 Uiso 0.188(2) 1 calc R U P A 2
C7_82 C 1.0023(6) 0.3820(8) -0.0124(4) 0.163(8) Uani 0.188(2) 1 d D U P A 2
H7A_82 H 1.009485 0.404701 -0.008840 0.244 Uiso 0.188(2) 1 calc R U P A 2
H7B_82 H 1.025100 0.367771 -0.023919 0.244 Uiso 0.188(2) 1 calc R U P A 2
H7C_82 H 0.981763 0.388632 -0.023373 0.244 Uiso 0.188(2) 1 calc R U P A 2
C8_82 C 0.947(2) 0.2650(13) 0.0499(15) 0.163(8) Uani 0.188(2) 1 d D U P A 2
H8A_82 H 0.938785 0.254281 0.070800 0.244 Uiso 0.188(2) 1 calc R U P A 2
H8B_82 H 0.925385 0.268806 0.040384 0.244 Uiso 0.188(2) 1 calc R U P A 2
H8C_82 H 0.968722 0.247950 0.039849 0.244 Uiso 0.188(2) 1 calc R U P A 2
S1A_82 S 0.9430(3) 0.3846(3) 0.1139(2) 0.135(2) Uani 0.812(2) 1 d D U P A 1
C1A_82 C 0.9463(6) 0.4028(3) 0.0745(3) 0.161(4) Uani 0.812(2) 1 d D U P A 1
C2A_82 C 0.9805(6) 0.4173(3) 0.0581(4) 0.164(4) Uani 0.812(2) 1 d D U P A 1
H2A_82 H 1.000995 0.417675 0.067133 0.197 Uiso 0.812(2) 1 calc R U P A 1
C3A_82 C 0.9833(6) 0.4318(3) 0.0269(5) 0.168(5) Uani 0.812(2) 1 d D U P A 1
C4A_82 C 0.9531(6) 0.4314(4) 0.0135(5) 0.167(5) Uani 0.812(2) 1 d D U P A 1
H4A_82 H 0.955617 0.441015 -0.006950 0.200 Uiso 0.812(2) 1 calc R U P A 1
C5A_82 C 0.9186(6) 0.4166(5) 0.0301(5) 0.168(5) Uani 0.812(2) 1 d D U P A 1
C6A_82 C 0.9154(6) 0.4021(4) 0.0612(4) 0.165(4) Uani 0.812(2) 1 d D U P A 1
H6A_82 H 0.892612 0.392142 0.072755 0.198 Uiso 0.812(2) 1 calc R U P A 1
C7A_82 C 1.0221(5) 0.4468(3) 0.0116(5) 0.181(8) Uani 0.812(2) 1 d D U P A 1
H7AA_82 H 1.038005 0.443737 0.026120 0.271 Uiso 0.812(2) 1 calc R U P A 1
H7AB_82 H 1.036201 0.432848 -0.004602 0.271 Uiso 0.812(2) 1 calc R U P A 1
H7AC_82 H 1.016836 0.473264 0.003723 0.271 Uiso 0.812(2) 1 calc R U P A 1
C8A_82 C 0.8843(7) 0.4154(7) 0.0163(6) 0.169(8) Uani 0.812(2) 1 d D U P A 1
H8AA_82 H 0.863655 0.404221 0.031511 0.254 Uiso 0.812(2) 1 calc R U P A 1
H8AB_82 H 0.874094 0.440807 0.008490 0.254 Uiso 0.812(2) 1 calc R U P A 1
H8AC_82 H 0.893559 0.400438 0.000109 0.254 Uiso 0.812(2) 1 calc R U P A 1
S1_83 S 1.02691(19) 0.4392(2) 0.16424(17) 0.125(2) Uani 1 1 d D U . . .
C1_83 C 1.0710(4) 0.4484(2) 0.1365(4) 0.181(5) Uani 1 1 d D U . . .
C2_83 C 1.1039(5) 0.4577(3) 0.1415(5) 0.194(5) Uani 1 1 d D U . . .
H2_83 H 1.103859 0.459558 0.161276 0.232 Uiso 1 1 calc R U . . .
C3_83 C 1.1383(5) 0.4647(4) 0.1184(4) 0.197(5) Uani 1 1 d D U . . .
C4_83 C 1.1396(6) 0.4623(4) 0.0888(4) 0.199(5) Uani 1 1 d D U . . .
H4_83 H 1.162009 0.466747 0.073369 0.239 Uiso 1 1 calc R U . . .
C5_83 C 1.1068(6) 0.4530(5) 0.0830(4) 0.199(5) Uani 1 1 d D U . . .
C6_83 C 1.0730(5) 0.4462(4) 0.1064(4) 0.198(5) Uani 1 1 d D U . . .
H6_83 H 1.051156 0.439972 0.101664 0.237 Uiso 1 1 calc R U . . .
C7_83 C 1.1737(6) 0.4751(7) 0.1276(6) 0.205(7) Uani 1 1 d D U . . .
H7A_83 H 1.167148 0.475372 0.149034 0.307 Uiso 1 1 calc R U . . .
H7B_83 H 1.196725 0.456510 0.122349 0.307 Uiso 1 1 calc R U . . .
H7C_83 H 1.179320 0.499758 0.117078 0.307 Uiso 1 1 calc R U . . .
C8_83 C 1.1034(7) 0.4491(8) 0.0515(5) 0.219(7) Uani 1 1 d D U . . .
H8A_83 H 1.077746 0.442409 0.052873 0.329 Uiso 1 1 calc R U . . .
H8B_83 H 1.106391 0.472814 0.038249 0.329 Uiso 1 1 calc R U . . .
H8C_83 H 1.123765 0.429557 0.043522 0.329 Uiso 1 1 calc R U . . .
S1_84 S 0.93045(17) 0.65237(19) 0.15418(14) 0.0917(16) Uani 1 1 d D U . . .
C1_84 C 0.9681(3) 0.6457(6) 0.1208(2) 0.177(5) Uani 1 1 d D U . . .
C2_84 C 0.9842(4) 0.6106(6) 0.1127(4) 0.191(5) Uani 1 1 d D U . . .
H2_84 H 0.975624 0.588725 0.124946 0.229 Uiso 1 1 calc R U . . .
C3_84 C 1.0141(5) 0.6079(6) 0.0856(4) 0.197(5) Uani 1 1 d D U . . .
C4_84 C 1.0258(5) 0.6408(6) 0.0684(4) 0.205(6) Uani 1 1 d D U . . .
H4_84 H 1.045422 0.638899 0.050653 0.246 Uiso 1 1 calc R U . . .
C5_84 C 1.0104(5) 0.6764(6) 0.0756(4) 0.203(6) Uani 1 1 d D U . . .
C6_84 C 0.9811(5) 0.6789(6) 0.1022(4) 0.202(6) Uani 1 1 d D U . . .
H6_84 H 0.969964 0.702651 0.107884 0.242 Uiso 1 1 calc R U . . .
C7_84 C 1.0316(7) 0.5683(6) 0.0774(5) 0.211(8) Uani 1 1 d D U . . .
H7A_84 H 1.018978 0.549505 0.092646 0.317 Uiso 1 1 calc R U . . .
H7B_84 H 1.027093 0.566584 0.058181 0.317 Uiso 1 1 calc R U . . .
H7C_84 H 1.059610 0.564014 0.076233 0.317 Uiso 1 1 calc R U . . .
C8_84 C 1.0228(8) 0.7135(7) 0.0571(6) 0.234(8) Uani 1 1 d D U . . .
H8A_84 H 1.007681 0.734425 0.066971 0.352 Uiso 1 1 calc R U . . .
H8B_84 H 1.050624 0.713333 0.055333 0.352 Uiso 1 1 calc R U . . .
H8C_84 H 1.018049 0.716103 0.037294 0.352 Uiso 1 1 calc R U . . .
S1_85 S 0.81762(14) 0.49732(16) 0.22701(10) 0.0722(13) Uani 1 1 d D U . . .
C1_85 C 0.7768(3) 0.5242(4) 0.2129(2) 0.083(3) Uani 1 1 d D U . . .
C2_85 C 0.7577(3) 0.5586(4) 0.2213(3) 0.089(3) Uani 1 1 d D U . . .
H2_85 H 0.765962 0.568955 0.235110 0.106 Uiso 1 1 calc R U . . .
C3_85 C 0.7255(4) 0.5782(4) 0.2091(3) 0.093(3) Uani 1 1 d D U . . .
C4_85 C 0.7140(4) 0.5620(4) 0.1886(3) 0.091(3) Uani 1 1 d D U . . .
H4_85 H 0.692970 0.574879 0.180385 0.109 Uiso 1 1 calc R U . . .
C5_85 C 0.7327(4) 0.5277(4) 0.1800(3) 0.090(3) Uani 1 1 d D U . . .
C6_85 C 0.7647(4) 0.5081(4) 0.1922(2) 0.088(3) Uani 1 1 d D U . . .
H6_85 H 0.777699 0.484784 0.186658 0.106 Uiso 1 1 calc R U . . .
C7_85 C 0.7044(5) 0.6165(4) 0.2187(4) 0.104(5) Uani 1 1 d D U . . .
H7A_85 H 0.716589 0.622862 0.232956 0.157 Uiso 1 1 calc R U . . .
H7B_85 H 0.706606 0.635838 0.201170 0.157 Uiso 1 1 calc R U . . .
H7C_85 H 0.676875 0.614770 0.227827 0.157 Uiso 1 1 calc R U . . .
C8_85 C 0.7215(5) 0.5085(6) 0.1576(3) 0.103(5) Uani 1 1 d D U . . .
H8A_85 H 0.738759 0.484785 0.155207 0.154 Uiso 1 1 calc R U . . .
H8B_85 H 0.694469 0.503734 0.165075 0.154 Uiso 1 1 calc R U . . .
H8C_85 H 0.724240 0.524734 0.138403 0.154 Uiso 1 1 calc R U . . .
S1_86 S 0.9962(2) 0.3407(2) 0.2323(2) 0.131(2) Uani 1 1 d D U . . .
C1_86 C 1.0248(4) 0.3042(3) 0.2530(4) 0.164(4) Uani 1 1 d D U . . .
C2_86 C 1.0581(4) 0.2813(4) 0.2385(5) 0.178(5) Uani 1 1 d D U . . .
H2_86 H 1.065620 0.285205 0.217430 0.214 Uiso 1 1 calc R U . . .
C3_86 C 1.0811(5) 0.2521(5) 0.2547(5) 0.179(5) Uani 1 1 d D U . . .
C4_86 C 1.0690(5) 0.2472(5) 0.2859(5) 0.180(5) Uani 1 1 d D U . . .
H4_86 H 1.083303 0.228464 0.297262 0.216 Uiso 1 1 calc R U . . .
C5_86 C 1.0363(5) 0.2695(5) 0.3005(4) 0.176(5) Uani 1 1 d D U . . .
C6_86 C 1.0138(5) 0.2981(5) 0.2845(4) 0.174(5) Uani 1 1 d D U . . .
H6_86 H 0.991695 0.312874 0.294825 0.209 Uiso 1 1 calc R U . . .
C7_86 C 1.1176(6) 0.2275(6) 0.2378(6) 0.187(8) Uani 1 1 d D U . . .
H7A_86 H 1.121035 0.235342 0.216369 0.280 Uiso 1 1 calc R U . . .
H7B_86 H 1.140878 0.230599 0.243679 0.280 Uiso 1 1 calc R U . . .
H7C_86 H 1.113761 0.201283 0.242822 0.280 Uiso 1 1 calc R U . . .
C8_86 C 1.0242(7) 0.2631(7) 0.3348(5) 0.179(7) Uani 1 1 d D U . . .
H8A_86 H 1.000986 0.280764 0.341517 0.269 Uiso 1 1 calc R U . . .
H8B_86 H 1.018423 0.237567 0.341816 0.269 Uiso 1 1 calc R U . . .
H8C_86 H 1.045533 0.266894 0.342667 0.269 Uiso 1 1 calc R U . . .
S1_87 S 1.0819(2) 0.3504(2) 0.3065(2) 0.145(2) Uani 1 1 d D U . . .
C1_87 C 1.1284(3) 0.3255(5) 0.3139(3) 0.183(5) Uani 1 1 d D U . . .
C2_87 C 1.1490(5) 0.3406(6) 0.3293(3) 0.190(5) Uani 1 1 d D U . . .
H2_87 H 1.139352 0.363898 0.336185 0.228 Uiso 1 1 calc R U . . .
C3_87 C 1.1856(5) 0.3192(6) 0.3342(4) 0.191(5) Uani 1 1 d D U . . .
C4_87 C 1.2000(5) 0.2849(6) 0.3241(4) 0.193(5) Uani 1 1 d D U . . .
H4_87 H 1.223979 0.271658 0.327606 0.232 Uiso 1 1 calc R U . . .
C5_87 C 1.1794(5) 0.2698(5) 0.3087(4) 0.193(5) Uani 1 1 d D U . . .
C6_87 C 1.1434(5) 0.2906(5) 0.3038(4) 0.191(5) Uani 1 1 d D U . . .
H6_87 H 1.129095 0.280875 0.293536 0.230 Uiso 1 1 calc R U . . .
C7_87 C 1.2093(7) 0.3351(8) 0.3512(5) 0.201(7) Uani 1 1 d D U . . .
H7A_87 H 1.195405 0.359073 0.356763 0.302 Uiso 1 1 calc R U . . .
H7B_87 H 1.212292 0.317507 0.369126 0.302 Uiso 1 1 calc R U . . .
H7C_87 H 1.235055 0.338493 0.338376 0.302 Uiso 1 1 calc R U . . .
C8_87 C 1.1956(7) 0.2315(6) 0.2974(6) 0.211(7) Uani 1 1 d D U . . .
H8A_87 H 1.177532 0.225502 0.287272 0.316 Uiso 1 1 calc R U . . .
H8B_87 H 1.221087 0.233015 0.283510 0.316 Uiso 1 1 calc R U . . .
H8C_87 H 1.198382 0.211989 0.314265 0.316 Uiso 1 1 calc R U . . .
S1_88 S 1.0763(2) 0.4712(2) 0.32175(18) 0.127(2) Uani 1 1 d D U . . .
C1_88 C 1.0745(4) 0.4726(4) 0.3597(3) 0.210(5) Uani 1 1 d D U . . .
C2_88 C 1.0488(4) 0.4993(5) 0.3759(4) 0.227(6) Uani 1 1 d D U . . .
H2_88 H 1.031515 0.517645 0.366785 0.272 Uiso 1 1 calc R U . . .
C3_88 C 1.0493(4) 0.4982(5) 0.4063(4) 0.229(6) Uani 1 1 d D U . . .
C4_88 C 1.0761(5) 0.4702(5) 0.4180(5) 0.234(6) Uani 1 1 d D U . . .
H4_88 H 1.076610 0.469572 0.438079 0.280 Uiso 1 1 calc R U . . .
C5_88 C 1.1023(5) 0.4430(5) 0.4024(5) 0.230(6) Uani 1 1 d D U . . .
C6_88 C 1.1019(5) 0.4439(5) 0.3718(4) 0.229(6) Uani 1 1 d D U . . .
H6_88 H 1.118892 0.426507 0.360158 0.275 Uiso 1 1 calc R U . . .
C7_88 C 1.0216(4) 0.5274(5) 0.4246(6) 0.245(9) Uani 1 1 d D U . . .
H7A_88 H 1.005602 0.544077 0.412191 0.368 Uiso 1 1 calc R U . . .
H7B_88 H 1.004715 0.514606 0.441906 0.368 Uiso 1 1 calc R U . . .
H7C_88 H 1.037016 0.541959 0.431138 0.368 Uiso 1 1 calc R U . . .
C8_88 C 1.1319(7) 0.4119(7) 0.4147(6) 0.255(10) Uani 1 1 d D U . . .
H8A_88 H 1.146349 0.397024 0.399130 0.382 Uiso 1 1 calc R U . . .
H8B_88 H 1.150205 0.423251 0.421178 0.382 Uiso 1 1 calc R U . . .
H8C_88 H 1.117983 0.395816 0.431579 0.382 Uiso 1 1 calc R U . . .
S1_89 S 0.9575(2) 0.3905(2) 0.34873(19) 0.140(2) Uani 1 1 d D U . . .
C1_89 C 0.9818(4) 0.3906(5) 0.3782(3) 0.221(6) Uani 1 1 d D U . . .
C2_89 C 0.9696(6) 0.4175(5) 0.3982(4) 0.237(6) Uani 1 1 d D U . . .
H2_89 H 0.947986 0.436264 0.396584 0.285 Uiso 1 1 calc R U . . .
C3_89 C 0.9903(6) 0.4160(5) 0.4211(4) 0.237(6) Uani 1 1 d D U . . .
C4_89 C 1.0224(6) 0.3884(6) 0.4241(5) 0.240(6) Uani 1 1 d D U . . .
H4_89 H 1.035655 0.387627 0.439158 0.288 Uiso 1 1 calc R U . . .
C5_89 C 1.0344(5) 0.3619(6) 0.4045(5) 0.238(6) Uani 1 1 d D U . . .
C6_89 C 1.0143(5) 0.3628(5) 0.3816(4) 0.237(6) Uani 1 1 d D U . . .
H6_89 H 1.022905 0.344718 0.368624 0.285 Uiso 1 1 calc R U . . .
C7_89 C 0.9757(8) 0.4455(6) 0.4420(6) 0.252(8) Uani 1 1 d D U . . .
H7A_89 H 0.953300 0.462227 0.436558 0.379 Uiso 1 1 calc R U . . .
H7B_89 H 0.967899 0.433093 0.462518 0.379 Uiso 1 1 calc R U . . .
H7C_89 H 0.996617 0.459936 0.440364 0.379 Uiso 1 1 calc R U . . .
C8_89 C 1.0697(7) 0.3308(7) 0.4068(7) 0.261(9) Uani 1 1 d D U . . .
H8A_89 H 1.073664 0.315140 0.391446 0.392 Uiso 1 1 calc R U . . .
H8B_89 H 1.093113 0.342258 0.404038 0.392 Uiso 1 1 calc R U . . .
H8C_89 H 1.064492 0.315493 0.426411 0.392 Uiso 1 1 calc R U . . .
S1_90 S 1.0962(9) 0.3463(10) 0.2157(8) 0.157(3) Uani 0.188(2) 1 d D U P A 2
C1_90 C 1.1494(9) 0.3342(6) 0.2042(5) 0.181(4) Uani 0.188(2) 1 d D U P A 2
C2_90 C 1.1701(11) 0.3028(8) 0.2177(5) 0.187(4) Uani 0.188(2) 1 d D U P A 2
H2_90 H 1.156667 0.286482 0.233633 0.224 Uiso 0.188(2) 1 calc R U P A 2
C3_90 C 1.2121(11) 0.2950(10) 0.2074(6) 0.187(5) Uani 0.188(2) 1 d D U P A 2
C4_90 C 1.2313(11) 0.3194(9) 0.1839(9) 0.188(5) Uani 0.188(2) 1 d D U P A 2
H4_90 H 1.258811 0.314312 0.177219 0.225 Uiso 0.188(2) 1 calc R U P A 2
C5_90 C 1.2113(11) 0.3511(9) 0.1701(10) 0.186(4) Uani 0.188(2) 1 d D U P A 2
C6_90 C 1.1697(11) 0.3586(8) 0.1803(8) 0.184(4) Uani 0.188(2) 1 d D U P A 2
H6_90 H 1.155576 0.379936 0.171189 0.221 Uiso 0.188(2) 1 calc R U P A 2
C7_90 C 1.2351(17) 0.2603(15) 0.2223(7) 0.188(8) Uani 0.188(2) 1 d D U P A 2
H7A_90 H 1.217054 0.246611 0.238191 0.281 Uiso 0.188(2) 1 calc R U P A 2
H7B_90 H 1.248960 0.244085 0.207528 0.281 Uiso 0.188(2) 1 calc R U P A 2
H7C_90 H 1.253994 0.268097 0.230708 0.281 Uiso 0.188(2) 1 calc R U P A 2
C8_90 C 1.2319(15) 0.3785(10) 0.1440(15) 0.186(9) Uani 0.188(2) 1 d D U P A 2
H8A_90 H 1.212442 0.398573 0.137693 0.280 Uiso 0.188(2) 1 calc R U P A 2
H8B_90 H 1.250633 0.389063 0.150576 0.280 Uiso 0.188(2) 1 calc R U P A 2
H8C_90 H 1.245566 0.365074 0.127392 0.280 Uiso 0.188(2) 1 calc R U P A 2
S1A_90 S 1.1102(3) 0.3769(3) 0.1994(3) 0.160(3) Uani 0.812(2) 1 d D U P A 1
C1A_90 C 1.1457(3) 0.3463(4) 0.1751(5) 0.183(4) Uani 0.812(2) 1 d D U P A 1
C2A_90 C 1.1690(4) 0.3163(5) 0.1874(5) 0.190(4) Uani 0.812(2) 1 d D U P A 1
H2A_90 H 1.166829 0.311472 0.208169 0.228 Uiso 0.812(2) 1 calc R U P A 1
C3A_90 C 1.1969(5) 0.2924(5) 0.1679(6) 0.190(4) Uani 0.812(2) 1 d D U P A 1
C4A_90 C 1.2008(5) 0.2988(6) 0.1371(6) 0.198(5) Uani 0.812(2) 1 d D U P A 1
H4A_90 H 1.219026 0.282869 0.124795 0.238 Uiso 0.812(2) 1 calc R U P A 1
C5A_90 C 1.1773(5) 0.3291(7) 0.1247(5) 0.197(5) Uani 0.812(2) 1 d D U P A 1
C6A_90 C 1.1497(4) 0.3530(6) 0.1436(5) 0.194(5) Uani 0.812(2) 1 d D U P A 1
H6A_90 H 1.133875 0.373549 0.135141 0.233 Uiso 0.812(2) 1 calc R U P A 1
C7A_90 C 1.2213(7) 0.2601(7) 0.1839(7) 0.198(6) Uani 0.812(2) 1 d D U P A 1
H7AA_90 H 1.213711 0.261040 0.205222 0.296 Uiso 0.812(2) 1 calc R U P A 1
H7AB_90 H 1.216627 0.236319 0.180191 0.296 Uiso 0.812(2) 1 calc R U P A 1
H7AC_90 H 1.248973 0.262450 0.176321 0.296 Uiso 0.812(2) 1 calc R U P A 1
C8A_90 C 1.1795(8) 0.3386(9) 0.0908(5) 0.221(9) Uani 0.812(2) 1 d D U P A 1
H8AA_90 H 1.160685 0.360731 0.087029 0.332 Uiso 0.812(2) 1 calc R U P A 1
H8AB_90 H 1.205826 0.343501 0.080202 0.332 Uiso 0.812(2) 1 calc R U P A 1
H8AC_90 H 1.173393 0.317498 0.083980 0.332 Uiso 0.812(2) 1 calc R U P A 1
S1A_91 S 1.0595(14) 0.3101(11) 0.1557(7) 0.173(4) Uani 0.188(2) 1 d D U P A 2
C1A_91 C 1.0480(13) 0.2625(11) 0.1666(4) 0.182(4) Uani 0.188(2) 1 d D U P A 2
C2A_91 C 1.0773(13) 0.2315(13) 0.1693(7) 0.183(4) Uani 0.188(2) 1 d D U P A 2
H2A_91 H 1.103662 0.235219 0.165436 0.220 Uiso 0.188(2) 1 calc R U P A 2
C3A_91 C 1.0673(13) 0.1942(12) 0.1779(9) 0.184(4) Uani 0.188(2) 1 d D U P A 2
C4A_91 C 1.0282(13) 0.1895(11) 0.1835(10) 0.183(5) Uani 0.188(2) 1 d D U P A 2
H4A_91 H 1.021498 0.164994 0.189169 0.220 Uiso 0.188(2) 1 calc R U P A 2
C5A_91 C 0.9984(13) 0.2198(11) 0.1810(11) 0.183(4) Uani 0.188(2) 1 d D U P A 2
C6A_91 C 1.0082(13) 0.2569(11) 0.1724(8) 0.182(4) Uani 0.188(2) 1 d D U P A 2
H6A_91 H 0.988413 0.277547 0.170649 0.219 Uiso 0.188(2) 1 calc R U P A 2
C7A_91 C 1.0998(16) 0.1602(15) 0.1809(16) 0.186(7) Uani 0.188(2) 1 d D U P A 2
H7AA_91 H 1.125128 0.168896 0.176111 0.279 Uiso 0.188(2) 1 calc R U P A 2
H7AB_91 H 1.094468 0.146869 0.201214 0.279 Uiso 0.188(2) 1 calc R U P A 2
H7AC_91 H 1.100146 0.143306 0.167085 0.279 Uiso 0.188(2) 1 calc R U P A 2
C8A_91 C 0.9553(12) 0.2137(9) 0.1873(17) 0.183(8) Uani 0.188(2) 1 d D U P A 2
H8AA_91 H 0.938855 0.237777 0.184456 0.274 Uiso 0.188(2) 1 calc R U P A 2
H8AB_91 H 0.952753 0.197874 0.173681 0.274 Uiso 0.188(2) 1 calc R U P A 2
H8AC_91 H 0.947078 0.201450 0.207808 0.274 Uiso 0.188(2) 1 calc R U P A 2
S1_91 S 1.0614(3) 0.3432(3) 0.1370(3) 0.166(3) Uani 0.812(2) 1 d D U P A 1
C1_91 C 1.0605(6) 0.2941(4) 0.1527(2) 0.179(4) Uani 0.812(2) 1 d D U P A 1
C2_91 C 1.0969(6) 0.2708(6) 0.1474(4) 0.182(4) Uani 0.812(2) 1 d D U P A 1
H2_91 H 1.119833 0.280698 0.136245 0.219 Uiso 0.812(2) 1 calc R U P A 1
C3_91 C 1.0984(6) 0.2316(6) 0.1592(4) 0.185(4) Uani 0.812(2) 1 d D U P A 1
C4_91 C 1.0643(7) 0.2174(6) 0.1756(4) 0.184(4) Uani 0.812(2) 1 d D U P A 1
H4_91 H 1.065826 0.191558 0.183203 0.221 Uiso 0.812(2) 1 calc R U P A 1
C5_91 C 1.0277(6) 0.2401(6) 0.1812(4) 0.184(4) Uani 0.812(2) 1 d D U P A 1
C6_91 C 1.0260(6) 0.2791(6) 0.1695(3) 0.181(4) Uani 0.812(2) 1 d D U P A 1
H6_91 H 1.001746 0.295068 0.172954 0.217 Uiso 0.812(2) 1 calc R U P A 1
C7_91 C 1.1390(7) 0.2067(8) 0.1529(7) 0.191(6) Uani 0.812(2) 1 d D U P A 1
H7A_91 H 1.158772 0.222129 0.141107 0.286 Uiso 0.812(2) 1 calc R U P A 1
H7B_91 H 1.145726 0.195198 0.171661 0.286 Uiso 0.812(2) 1 calc R U P A 1
H7C_91 H 1.137941 0.187212 0.141790 0.286 Uiso 0.812(2) 1 calc R U P A 1
C8_91 C 0.9902(7) 0.2239(9) 0.1994(6) 0.182(6) Uani 0.812(2) 1 d D U P A 1
H8A_91 H 0.967925 0.243946 0.200861 0.274 Uiso 0.812(2) 1 calc R U P A 1
H8B_91 H 0.985587 0.204778 0.189489 0.274 Uiso 0.812(2) 1 calc R U P A 1
H8C_91 H 0.993332 0.212848 0.219347 0.274 Uiso 0.812(2) 1 calc R U P A 1
S1_92 S 0.4467(5) 0.1695(4) 0.2824(3) 0.069(2) Uani 0.312(7) 1 d D U P B 2
C1_92 C 0.4035(5) 0.1557(5) 0.2773(5) 0.085(3) Uani 0.312(7) 1 d D U P B 2
C2_92 C 0.3836(7) 0.1300(6) 0.2999(6) 0.088(3) Uani 0.312(7) 1 d D U P B 2
H2_92 H 0.393044 0.120530 0.317169 0.106 Uiso 0.312(7) 1 calc R U P B 2
C3_92 C 0.3491(8) 0.1183(8) 0.2967(7) 0.088(3) Uani 0.312(7) 1 d D U P B 2
C4_92 C 0.3358(8) 0.1328(8) 0.2708(7) 0.089(3) Uani 0.312(7) 1 d D U P B 2
H4_92 H 0.313122 0.125200 0.268511 0.107 Uiso 0.312(7) 1 calc R U P B 2
C5_92 C 0.3551(8) 0.1582(8) 0.2482(6) 0.088(3) Uani 0.312(7) 1 d D U P B 2
C6_92 C 0.3896(7) 0.1702(7) 0.2511(6) 0.088(3) Uani 0.312(7) 1 d D U P B 2
H6_92 H 0.402868 0.187397 0.235938 0.106 Uiso 0.312(7) 1 calc R U P B 2
C7_92 C 0.3281(13) 0.0902(11) 0.3219(9) 0.091(6) Uani 0.312(7) 1 d D U P B 2
H7A_92 H 0.342055 0.083609 0.337807 0.137 Uiso 0.312(7) 1 calc R U P B 2
H7B_92 H 0.301369 0.101508 0.329722 0.137 Uiso 0.312(7) 1 calc R U P B 2
H7C_92 H 0.327734 0.067627 0.313977 0.137 Uiso 0.312(7) 1 calc R U P B 2
C8_92 C 0.3386(13) 0.1730(13) 0.2203(8) 0.095(5) Uani 0.312(7) 1 d D U P B 2
H8A_92 H 0.355078 0.190367 0.206634 0.142 Uiso 0.312(7) 1 calc R U P B 2
H8B_92 H 0.338396 0.152037 0.210475 0.142 Uiso 0.312(7) 1 calc R U P B 2
H8C_92 H 0.312045 0.185921 0.226223 0.142 Uiso 0.312(7) 1 calc R U P B 2


_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
Au1 Au13 2.7131(9) . ?
Au1 Au31 2.7211(8) . ?
Au1 Au20 2.7940(10) . ?
Au1 Au5 2.7958(8) . ?
Au1 Au6 2.8212(9) . ?
Au1 Au21 2.8266(9) . ?
Au1 Au15 2.8701(9) . ?
Au1 Au7 2.8808(9) . ?
Au1 Au25 3.0302(10) . ?
Au1 Au17 3.0853(9) . ?
Au1 Au8 3.0864(8) . ?
Au2 Au32 2.7187(9) . ?
Au2 Au38 2.7549(9) . ?
Au2 Au19 2.7874(8) . ?
Au2 Au11 2.7874(9) . ?
Au2 Au47 2.8243(9) . ?
Au2 Au10 2.8299(11) . ?
Au2 Au27 2.8742(9) . ?
Au2 Au9 2.8894(9) . ?
Au2 Au58 3.0139(10) . ?
Au2 Au26 3.0315(9) . ?
Au2 Au34 3.0566(11) . ?
Au3 Au42 2.7215(9) . ?
Au3 Au22 2.7227(10) . ?
Au3 Au18 2.8038(9) . ?
Au3 Au44 2.8209(9) . ?
Au3 Au19 2.8273(10) . ?
Au3 Au10 2.8293(8) . ?
Au3 Au27 2.8298(9) . ?
Au3 Au9 2.8403(9) . ?
Au3 Au54 2.9622(10) . ?
Au3 Au14 3.0775(9) . ?
Au3 Au30 3.0820(9) . ?
Au4 Au45 2.7006(9) . ?
Au4 Au23 2.7049(9) . ?
Au4 Au12 2.7652(9) . ?
Au4 Au24 2.7737(9) . ?
Au4 Au20 2.7907(9) . ?
Au4 Au5 2.8035(10) . ?
Au4 Au15 2.8809(9) . ?
Au4 Au7 2.9322(9) . ?
Au4 Au50 3.0403(10) . ?
Au4 Au28 3.0507(10) . ?
Au4 Au16 3.0676(9) . ?
Au5 Au46 2.7014(8) . ?
Au5 Au6 2.7094(9) . ?
Au5 Au41 2.7192(9) . ?
Au5 Au13 2.7566(10) . ?
Au5 Au15 2.8139(9) . ?
Au5 Au12 2.9083(9) . ?
Au5 Au16 3.0113(10) . ?
Au6 S1_23 2.357(4) . ?
Au6 Au13 2.7772(9) . ?
Au6 Au8 2.8995(8) . ?
Au6 Au7 2.9284(10) . ?
Au7 Au12 2.7124(8) . ?
Au7 Au39 2.7227(8) . ?
Au7 Au33 2.7306(9) . ?
Au7 Au23 2.7466(10) . ?
Au7 Au20 2.8014(9) . ?
Au7 Au8 2.8841(10) . ?
Au8 S1_15 2.394(5) . ?
Au8 Au39 2.6988(10) . ?
Au8 Au33 2.7410(9) . ?
Au8 Au31 3.0157(10) . ?
Au8 Au48 3.0158(9) . ?
Au8 Au67 3.0912(9) . ?
Au9 Au38 2.7075(10) . ?
Au9 Au29 2.7178(9) . ?
Au9 Au11 2.7207(8) . ?
Au9 Au37 2.7357(9) . ?
Au9 Au19 2.8090(9) . ?
Au9 Au18 2.9050(11) . ?
Au9 Au14 2.9108(9) . ?
Au10 Au18 2.7017(9) . ?
Au10 Au65 2.7042(9) . ?
Au10 Au74 2.7250(9) . ?
Au10 Au22 2.7527(10) . ?
Au10 Au27 2.8153(9) . ?
Au10 Au11 2.9258(9) . ?
Au10 Au26 2.9719(9) . ?
Au11 S1_52 2.376(4) . ?
Au11 Au38 2.8005(11) . ?
Au11 Au26 2.8606(9) . ?
Au11 Au74 3.3326(12) . ?
Au12 S1_22 2.362(4) . ?
Au12 Au23 2.8075(10) . ?
Au12 Au16 2.8420(9) . ?
Au12 Au41 3.2114(10) . ?
Au13 S1_3 2.341(4) . ?
Au13 Au17 3.0347(9) . ?
Au13 Au49 3.1147(10) . ?
Au13 Au25 3.2539(9) . ?
Au13 Au43 3.2884(9) . ?
Au14 S1_50 2.398(5) . ?
Au14 Au29 2.7032(11) . ?
Au14 Au37 2.7111(9) . ?
Au14 Au18 2.8890(9) . ?
Au14 Au42 2.9789(10) . ?
Au14 Au52 3.0319(9) . ?
Au14 Au36 3.0606(9) . ?
Au15 Au49 2.7082(10) . ?
Au15 Au24 2.7113(11) . ?
Au15 Au63 2.7129(9) . ?
Au15 Au45 2.7448(10) . ?
Au15 Au17 2.9042(10) . ?
Au15 Au21 2.9067(9) . ?
Au16 S1_8 2.418(5) . ?
Au16 Au46 2.6659(10) . ?
Au16 Au41 2.7265(11) . ?
Au16 Au45 2.8974(9) . ?
Au16 Au51 3.0813(9) . ?
Au16 Au56 3.0940(9) . ?
Au17 S1_2 2.424(4) . ?
Au17 Au49 2.7207(9) . ?
Au17 Au63 2.7262(10) . ?
Au17 Au21 2.8826(10) . ?
Au17 Au55 3.1007(9) . ?
Au17 Au43 3.1160(10) . ?
Au18 S1_57 2.379(4) . ?
Au18 Au22 2.8038(9) . ?
Au19 Au60 2.6983(10) . ?
Au19 Au44 2.7026(9) . ?
Au19 Au68 2.7093(11) . ?
Au19 Au42 2.7493(10) . ?
Au19 Au47 2.9031(10) . ?
Au19 Au34 2.9816(10) . ?
Au20 Au40 2.7002(10) . ?
Au20 Au21 2.7052(9) . ?
Au20 Au53 2.7077(10) . ?
Au20 Au31 2.7656(10) . ?
Au20 Au24 2.9613(9) . ?
Au20 Au28 3.0164(11) . ?
Au21 S1_10 2.367(4) . ?
Au21 Au31 2.7802(9) . ?
Au22 S1_39 2.345(5) . ?
Au22 Au30 3.0059(9) . ?
Au22 Au66 3.1074(10) . ?
Au22 Au54 3.2629(9) . ?
Au23 S1_27 2.360(5) . ?
Au23 Au28 2.8897(10) . ?
Au23 Au53 3.2086(10) . ?
Au23 Au57 3.2975(11) . ?
Au23 Au50 3.3344(10) . ?
Au24 S1_6 2.375(4) . ?
Au24 Au45 2.8404(9) . ?
Au24 Au28 2.8709(10) . ?
Au24 Au40 3.2460(9) . ?
Au25 S1_15 2.289(4) . ?
Au25 S1_2 2.303(4) . ?
Au25 Au31 3.3021(11) . ?
Au26 S1_56 2.397(5) . ?
Au26 Au65 2.6780(11) . ?
Au26 Au74 2.7101(12) . ?
Au26 Au32 2.9221(9) . ?
Au26 Au61 3.1237(10) . ?
Au26 Au59 3.1303(9) . ?
Au27 Au95 2.6982(9) . ?
Au27 Au47 2.7083(11) . ?
Au27 Au66 2.7158(11) . ?
Au27 Au32 2.7346(9) . ?
Au27 Au44 2.8911(9) . ?
Au27 Au30 2.9316(10) . ?
Au28 S1_9 2.413(4) . ?
Au28 Au53 2.6794(9) . ?
Au28 Au40 2.7191(9) . ?
Au28 Au62 3.0617(10) . ?
Au28 Au57 3.0932(10) . ?
Au28 Au50 3.3396(9) . ?
Au29 S1_59 2.359(5) . ?
Au29 Au37 2.7520(10) . ?
Au29 Au52 2.9492(9) . ?
Au29 Au60 3.0258(11) . ?
Au29 Au42 3.1599(10) . ?
Au30 S1_42 2.394(5) . ?
Au30 Au66 2.7008(10) . ?
Au30 Au95 2.7112(11) . ?
Au30 Au44 2.8765(11) . ?
Au30 Au64 3.0754(11) . ?
Au30 Au76 3.0858(9) . ?
Au31 S1_11 2.351(4) . ?
Au31 Au39 3.1392(10) . ?
Au31 Au67 3.3571(10) . ?
Au32 S1_36 2.366(4) . ?
Au32 Au47 2.8286(10) . ?
Au32 Au65 3.1819(12) . ?
Au32 Au58 3.2886(10) . ?
Au33 S1_26 2.351(4) . ?
Au33 Au39 2.7552(10) . ?
Au33 Au48 3.0749(10) . ?
Au33 Cd2 3.2071(15) . ?
Au34 S1_51 2.426(4) . ?
Au34 Au60 2.6942(10) . ?
Au34 Au68 2.7156(9) . ?
Au34 Au47 2.8539(10) . ?
Au34 Au72 3.0195(10) . ?
Au34 Au38 3.0312(10) . ?
Au34 Au79 3.1727(12) . ?
Au34 Au58 3.3063(9) . ?
Au35 S1_25 2.297(5) . ?
Au35 S1_21 2.297(5) . ?
Au36 S1_49 2.307(5) . ?
Au36 S1_58 2.310(5) . ?
Au36 Au37 3.0644(10) . ?
Au37 S1_53 2.334(4) . ?
Au37 Cd3 3.1223(16) . ?
Au38 S1_55 2.335(5) . ?
Au38 Au60 3.0846(10) . ?
Au38 Au72 3.3797(12) . ?
Au39 S1_16 2.364(5) . ?
Au39 Au67 2.9115(11) . ?
Au39 Au53 3.0357(11) . ?
Au40 S1_12 2.360(4) . ?
Au40 Au53 2.7879(10) . ?
Au40 Cd5 3.0004(15) . ?
Au40 Au62 3.1444(12) . ?
Au41 S1_5 2.332(4) . ?
Au41 Au46 2.7774(9) . ?
Au41 Cd1 3.0295(13) . ?
Au41 Au51 3.1357(10) . ?
Au42 S1_48 2.352(4) . ?
Au42 Au44 2.8086(10) . ?
Au42 Au54 3.3307(11) . ?
Au43 S1_4 2.316(4) . ?
Au43 S1_3 2.315(4) . ?
Au43 Au49 2.9037(11) . ?
Au44 S1_46 2.367(5) . ?
Au45 S1_7 2.357(4) . ?
Au45 Au46 3.2377(11) . ?
Au45 Au50 3.3227(11) . ?
Au46 S1_18 2.330(5) . ?
Au46 Au56 2.8166(10) . ?
Au46 Au49 3.0482(10) . ?
Au47 S1_45 2.388(4) . ?
Au48 S1_24 2.296(5) . ?
Au48 S1_14 2.325(5) . ?
Au49 S1_18 2.384(4) . ?
Au49 Au63 2.7494(10) . ?
Au50 S1_9 2.288(5) . ?
Au50 S1_8 2.294(4) . ?
Au51 S1_20 2.304(5) . ?
Au51 S1_19 2.316(4) . ?
Au52 S1_49 2.305(5) . ?
Au52 S1_48 2.318(5) . ?
Au53 S1_16 2.362(4) . ?
Au53 Au57 2.8664(11) . ?
Au54 S1_42 2.297(4) . ?
Au54 S1_50 2.315(4) . ?
Au55 S1_4 2.299(4) . ?
Au55 S1_29 2.303(5) . ?
Au55 Au63 3.0509(11) . ?
Au56 S1_7 2.316(5) . ?
Au56 S1_19 2.316(5) . ?
Au57 S1_27 2.309(5) . ?
Au57 S1_13 2.313(5) . ?
Au58 S1_51 2.306(5) . ?
Au58 S1_56 2.307(5) . ?
Au59 S1_36 2.303(5) . ?
Au59 S1_32 2.322(5) . ?
Au59 Au65 2.8395(10) . ?
Au60 S1_59 2.384(4) . ?
Au60 Au68 2.7805(10) . ?
Au60 Au72 2.8760(11) . ?
Au61 S1_33 2.307(5) . ?
Au61 S1_32 2.321(5) . ?
Au61 Au74 3.1115(10) . ?
Au62 S1_31 2.306(5) . ?
Au62 S1_13 2.307(5) . ?
Au63 S1_28 2.359(5) . ?
Au63 Cd4 3.1780(15) . ?
Au64 S1_38 2.310(5) . ?
Au64 S1_39 2.317(5) . ?
Au64 Au66 2.9246(11) . ?
Au65 S1_37 2.281(8) . ?
Au65 S1_92 2.527(14) . ?
Au65 Au74 2.7689(10) . ?
Au65 Au66 3.0267(11) . ?
Au66 S1_92 2.192(13) . ?
Au66 S1_37 2.453(7) . ?
Au66 Au95 2.7591(13) . ?
Au67 S1_14 2.312(5) . ?
Au67 S1_11 2.315(5) . ?
Au68 S1_47 2.342(5) . ?
Au68 Cd7 3.0486(17) . ?
Au68 Au79 3.0855(12) . ?
Au72 S1_55 2.295(5) . ?
Au72 S1_60 2.306(6) . ?
Au73 S1_17 2.280(6) . ?
Au73 S1_30 2.281(6) . ?
Au74 S1_35 2.342(5) . ?
Au74 Cd6 3.0878(15) . ?
Au76 S1_41 2.295(6) . ?
Au76 S1_38 2.298(6) . ?
Au76 Au95 3.0166(11) . ?
Au79 S1_60 2.301(5) . ?
Au79 S1_44 2.302(5) . ?
Au82 S1_34 2.256(6) . ?
Au82 S1_54 2.275(5) . ?
Au82 Cd6 3.4156(16) . ?
Au95 S1_40 2.336(5) . ?
Au95 Cd10 3.162(2) . ?
Au1K S1_61 2.251(7) . ?
Au1K S1_43 2.286(8) . ?
Cd1 S1_5 2.529(5) . ?
Cd1 S1_22 2.544(4) . ?
Cd1 S1_20 2.552(5) . ?
Cd1 S1_21 2.571(4) . ?
Cd2 S1_26 2.522(5) . ?
Cd2 S1_23 2.566(4) . ?
Cd2 S1_25 2.568(4) . ?
Cd2 S1_24 2.595(5) . ?
Cd3 S1_53 2.518(5) . ?
Cd3 S1_57 2.542(4) . ?
Cd3 S1_54 2.581(5) . ?
Cd3 S1_58 2.585(4) . ?
Cd4 S1_28 2.559(5) . ?
Cd4 S1_10 2.562(4) . ?
Cd4 S1_29 2.579(6) . ?
Cd4 S1_17 2.591(5) . ?
Cd5 S1_6 2.559(4) . ?
Cd5 S1_31 2.561(6) . ?
Cd5 S1_30 2.580(5) . ?
Cd5 S1_12 2.582(5) . ?
Cd6 S1_35 2.538(6) . ?
Cd6 S1_52 2.545(5) . ?
Cd6 S1_33 2.547(6) . ?
Cd6 S1_34 2.567(5) . ?
Cd7 S1_47 2.546(6) . ?
Cd7 S1_44 2.563(6) . ?
Cd7 S1_45 2.565(5) . ?
Cd7 S1_61 2.592(5) . ?
Cd10 S1_40 2.544(7) . ?
Cd10 S1_46 2.552(6) . ?
Cd10 S1_41 2.590(6) . ?
Cd10 S1_43 2.591(7) . ?
Au1O S1_62 2.311(6) . ?
Au1O S1_77 2.317(6) . ?
Au1O Au1G 3.0763(19) . ?
Au1O Au1G_1000 3.123(9) . ?
Au1O Au1M 3.170(2) . ?
Au1O Au1M_1000 3.223(13) . ?
Au1N S1_75 2.282(5) . ?
Au1N S1_76 2.299(5) . ?
Au69 S1_80 2.237(7) . ?
Au69 S1_71 2.373(8) . ?
Au69 Au71 2.9427(19) . ?
Au69 Au83 3.213(2) . ?
Au69 Au86 3.246(2) . ?
Au69 Au70 3.354(2) . ?
Au70 S1_71 2.368(6) . ?
Au70 Au88 2.687(2) . ?
Au70 Au85 2.710(2) . ?
Au70 Au75 2.878(2) . ?
Au70 Au77 2.925(2) . ?
Au70 Au86 2.969(2) . ?
Au70 Au90 3.063(3) . ?
Au70 Au71 3.106(2) . ?
Au70 Au80 3.118(2) . ?
Au71 Au83 2.699(2) . ?
Au71 Au86 2.724(2) . ?
Au71 Au99 2.759(2) . ?
Au71 Au75 2.789(2) . ?
Au71 Au77 2.787(2) . ?
Au71 Au92 2.801(2) . ?
Au71 Au81 2.861(2) . ?
Au71 Au98 2.9000(18) . ?
Au71 Au78 3.1633(19) . ?
Au75 S1_83 2.425(7) . ?
Au75 Au81 2.700(2) . ?
Au75 Au83 2.808(2) . ?
Au75 Au77 2.954(2) . ?
Au77 Au88 2.691(2) . ?
Au77 Au84 2.701(2) . ?
Au77 Au85 2.706(2) . ?
Au77 Au94 2.751(2) . ?
Au77 Au98 2.826(2) . ?
Au77 Au87 2.826(2) . ?
Au78 S1_80 2.411(6) . ?
Au78 Au89 2.680(2) . ?
Au78 Au91 2.7131(19) . ?
Au78 Au83 2.905(2) . ?
Au78 Au99 2.9330(19) . ?
Au78 Au92 2.9934(17) . ?
Au78 Au93 3.0594(19) . ?
Au78 Au96 3.1434(19) . ?
Au80 S1A_90 2.340(13) . ?
Au80 S1_87 2.401(10) . ?
Au80 Au85 3.079(2) . ?
Au81 Au1A 2.705(2) . ?
Au81 Au1B 2.722(2) . ?
Au81 Au83 2.8015(19) . ?
Au81 Au92 2.822(2) . ?
Au81 Au87 2.8725(19) . ?
Au81 Au84 2.952(2) . ?
Au81 Au97 2.965(2) . ?
Au83 S1_72 2.338(6) . ?
Au83 Au89 3.276(2) . ?
Au84 S1_63 2.388(6) . ?
Au84 Au87 2.802(2) . ?
Au84 Au94 2.810(2) . ?
Au84 Au97 2.884(2) . ?
Au85 S1_86 2.384(7) . ?
Au85 Au88 2.789(2) . ?
Au85 Cd8 3.095(3) . ?
Au86 S1_88 2.361(8) . ?
Au86 Au98 2.7366(19) . ?
Au86 Au99 2.823(2) . ?
Au86 Au88 3.187(2) . ?
Au87 Au94 2.723(2) . ?
Au87 Au1D 2.731(2) . ?
Au87 Au1E 2.795(2) . ?
Au87 Au92 2.8151(19) . ?
Au87 Au98 2.845(2) . ?
Au87 Au1I 2.995(2) . ?
Au87 Au97 3.021(2) . ?
Au87 Au1G 3.145(2) . ?
Au88 S1_89 2.360(8) . ?
Au88 Au90 2.864(2) . ?
Au88 Au1F 3.027(2) . ?
Au89 S1_84 2.346(7) . ?
Au89 Au92 2.6921(19) . ?
Au89 Au91 2.762(2) . ?
Au89 Au93 2.8491(18) . ?
Au89 Au1A 2.9964(19) . ?
Au90 S1_88 2.192(9) . ?
Au90 S1_87 2.336(9) . ?
Au91 S1_74 2.287(6) . ?
Au91 Au92 2.7087(19) . ?
Au91 Cd11 3.011(3) . ?
Au91 Au96 3.1423(17) . ?
Au92 Au1E 2.717(2) . ?
Au92 Au1D 2.750(2) . ?
Au92 Au99 2.885(2) . ?
Au93 S1_70 2.256(8) . ?
Au93 S1_72 2.344(8) . ?
Au94 S1_69 2.384(5) . ?
Au94 Au1G 2.993(2) . ?
Au94 Au1F 3.160(3) . ?
Au94 Au1I 3.271(2) . ?
Au96 S1_70 2.297(7) . ?
Au96 S1_78 2.307(7) . ?
Au97 S1_85 2.422(5) . ?
Au97 Au1A 2.678(2) . ?
Au97 Au1B 2.711(2) . ?
Au97 Au1D 2.948(2) . ?
Au97 Au1J 3.104(2) . ?
Au97 Au1H 3.107(2) . ?
Au98 Au99 2.7104(19) . ?
Au98 Au1F 2.716(2) . ?
Au98 Au1M 2.747(2) . ?
Au98 Au1G 2.9105(19) . ?
Au98 Au1E 2.915(2) . ?
Au99 S1_81 2.332(6) . ?
Au1A S1_84 2.336(6) . ?
Au1A Au1B 2.778(2) . ?
Au1A Au1J 2.902(2) . ?
Au1A Au1D 3.092(2) . ?
Au1B S1_68 2.382(6) . ?
Au1B Au1H 3.091(2) . ?
Au1B Cd9 3.107(3) . ?
Au1C S1_91 2.190(12) . ?
Au1C S1A_82 2.303(11) . ?
Au1D S1_73 2.288(6) . ?
Au1D Au1E 2.773(2) . ?
Au1D Au1I 3.319(2) . ?
Au1D Au1J 3.344(2) . ?
Au1E S1_79 2.312(5) . ?
Au1E Au1G 2.889(2) . ?
Au1F S1_89 2.382(8) . ?
Au1F Au1G 2.691(2) . ?
Au1F Au1M 2.766(3) . ?
Au1F Au1L 2.900(2) . ?
Au1G S1_65 2.372(5) . ?
Au1G Au1M 2.709(2) . ?
Au1G Au1L 3.102(2) . ?
Au1H S1_66 2.247(7) . ?
Au1H S1_64 2.382(7) . ?
Au1I S1_65 2.275(5) . ?
Au1I S1_85 2.307(5) . ?
Au1J S1_73 2.288(6) . ?
Au1J S1_66 2.331(6) . ?
Au1L S1_69 2.309(7) . ?
Au1L S1_62 2.310(7) . ?
Au1M S1_67 2.302(6) . ?
Au1M Cd12 3.152(3) . ?
Cd8 S1_83 2.430(10) . ?
Cd8 S1A_90 2.513(11) . ?
Cd8 S1_91 2.608(10) . ?
Cd8 S1_86 2.639(9) . ?
Cd9 S1_64 2.493(7) . ?
Cd9 S1_68 2.511(7) . ?
Cd9 S1_63 2.554(7) . ?
Cd9 S1A_82 2.589(9) . ?
Cd11 S1_75 2.520(6) . ?
Cd11 S1_74 2.529(7) . ?
Cd11 S1_81 2.588(6) . ?
Cd11 S1_78 2.599(6) . ?
Cd12 S1_76 2.522(6) . ?
Cd12 S1_67 2.536(8) . ?
Cd12 S1_79 2.544(7) . ?
Cd12 S1_77 2.602(7) . ?
Au69_1000 S1_71 1.672(12) . ?
Au69_1000 C1_71 2.706(17) . ?
Au69_1000 Au71_1000 2.963(9) . ?
Au69_1000 Au83_1000 3.234(11) . ?
Au69_1000 Au86_1000 3.245(11) . ?
Au70_1000 Au88_1000 2.692(11) . ?
Au70_1000 Au85_1000 2.712(10) . ?
Au70_1000 S1_71 2.688(10) . ?
Au70_1000 Au75_1000 2.906(10) . ?
Au70_1000 Au77_1000 2.903(9) . ?
Au70_1000 Au86_1000 2.984(10) . ?
Au70_1000 Au90_1000 3.118(12) . ?
Au70_1000 Au71_1000 3.132(8) . ?
Au70_1000 Au80_1000 3.138(10) . ?
Au71_1000 Au83_1000 2.695(9) . ?
Au71_1000 Au86_1000 2.721(10) . ?
Au71_1000 Au75_1000 2.763(9) . ?
Au71_1000 Au99_1000 2.778(9) . ?
Au71_1000 Au92_1000 2.797(9) . ?
Au71_1000 Au77_1000 2.801(9) . ?
Au71_1000 Au81_1000 2.868(9) . ?
Au71_1000 Au98_1000 2.903(9) . ?
Au71_1000 Au78_1000 3.117(8) . ?
Au75_1000 S1_83 2.120(11) . ?
Au75_1000 Au81_1000 2.658(9) . ?
Au75_1000 Au83_1000 2.802(10) . ?
Au75_1000 Au77_1000 2.931(10) . ?
Au77_1000 Au85_1000 2.685(9) . ?
Au77_1000 Au88_1000 2.704(11) . ?
Au77_1000 Au84_1000 2.708(10) . ?
Au77_1000 Au94_1000 2.751(10) . ?
Au77_1000 Au98_1000 2.814(10) . ?
Au77_1000 Au87_1000 2.820(9) . ?
Au78_1000 S1_80 2.179(9) . ?
Au78_1000 Au89_1000 2.683(10) . ?
Au78_1000 Au91_1000 2.709(9) . ?
Au78_1000 Au83_1000 2.908(9) . ?
Au78_1000 Au99_1000 2.924(9) . ?
Au78_1000 Au92_1000 3.021(9) . ?
Au78_1000 Au93_1000 3.062(10) . ?
Au78_1000 Au96_1000 3.168(9) . ?
Au80_1000 S1_87 1.985(14) . ?
Au80_1000 S1_90 2.17(4) . ?
Au80_1000 Au85_1000 3.006(10) . ?
Au81_1000 Au1B_1000 2.711(10) . ?
Au81_1000 Au1A_1000 2.720(9) . ?
Au81_1000 Au83_1000 2.763(9) . ?
Au81_1000 Au92_1000 2.816(9) . ?
Au81_1000 Au87_1000 2.866(9) . ?
Au81_1000 Au97_1000 2.916(10) . ?
Au81_1000 Au84_1000 2.954(9) . ?
Au83_1000 S1_72 2.683(10) . ?
Au83_1000 Au89_1000 3.173(9) . ?
Au84_1000 S1_63 2.041(10) . ?
Au84_1000 Au87_1000 2.807(9) . ?
Au84_1000 Au94_1000 2.818(11) . ?
Au84_1000 Au97_1000 2.911(10) . ?
Au85_1000 S1_86 2.078(11) . ?
Au85_1000 C1_86 2.630(14) . ?
Au85_1000 Au88_1000 2.738(11) . ?
Au85_1000 Cd8_1000 3.040(12) . ?
Au86_1000 S1_88 2.123(11) . ?
Au86_1000 Au98_1000 2.747(10) . ?
Au86_1000 Au99_1000 2.798(9) . ?
Au86_1000 Au88_1000 3.153(11) . ?
Au86_1000 Au90_1000 3.384(11) . ?
Au87_1000 Au1D_1000 2.711(9) . ?
Au87_1000 Au94_1000 2.731(9) . ?
Au87_1000 Au1E_1000 2.797(9) . ?
Au87_1000 Au92_1000 2.813(9) . ?
Au87_1000 Au98_1000 2.872(10) . ?
Au87_1000 Au1I_1000 2.993(10) . ?
Au87_1000 Au97_1000 3.046(9) . ?
Au87_1000 Au1G_1000 3.142(10) . ?
Au88_1000 S1_89 2.086(12) . ?
Au88_1000 Au90_1000 2.835(12) . ?
Au88_1000 Au1F_1000 2.994(11) . ?
Au89_1000 S1_84 2.625(10) . ?
Au89_1000 Au92_1000 2.706(9) . ?
Au89_1000 Au91_1000 2.773(9) . ?
Au89_1000 Au93_1000 2.876(9) . ?
Au89_1000 Au1A_1000 3.008(9) . ?
Au90_1000 S1_87 1.926(15) . ?
Au90_1000 S1_88 2.618(14) . ?
Au91_1000 Au92_1000 2.697(8) . ?
Au91_1000 Cd11_1000 3.018(13) . ?
Au91_1000 Au96_1000 3.109(10) . ?
Au91_1000 Au99_1000 3.371(10) . ?
Au92_1000 Au1E_1000 2.729(10) . ?
Au92_1000 Au1D_1000 2.735(10) . ?
Au92_1000 Au99_1000 2.920(10) . ?
Au93_1000 S1_72 1.624(12) . ?
Au93_1000 C1_72 2.524(15) . ?
Au94_1000 S1_69 2.057(10) . ?
Au94_1000 Au1G_1000 2.962(11) . ?
Au94_1000 Au1F_1000 3.165(12) . ?
Au94_1000 Au1I_1000 3.272(12) . ?
Au96_1000 S1_78 2.339(12) . ?
Au96_1000 S1_70 2.412(12) . ?
Au97_1000 S1_85 2.283(10) . ?
Au97_1000 Au1A_1000 2.678(10) . ?
Au97_1000 Au1B_1000 2.718(11) . ?
Au97_1000 Au1D_1000 2.954(10) . ?
Au97_1000 Au1J_1000 3.092(10) . ?
Au97_1000 Au1H_1000 3.104(11) . ?
Au98_1000 Au1F_1000 2.698(10) . ?
Au98_1000 Au99_1000 2.701(9) . ?
Au98_1000 Au1M_1000 2.753(11) . ?
Au98_1000 Au1E_1000 2.909(10) . ?
Au98_1000 Au1G_1000 2.948(10) . ?
Au99_1000 S1_81 2.739(9) . ?
Au1A_1000 Au1B_1000 2.767(9) . ?
Au1A_1000 S1_84 2.782(10) . ?
Au1A_1000 Au1J_1000 2.932(11) . ?
Au1A_1000 Au1D_1000 3.103(10) . ?
Au1B_1000 S1_68 2.127(10) . ?
Au1B_1000 Au1H_1000 3.033(12) . ?
Au1B_1000 Cd9_1000 3.106(12) . ?
Au1C_1000 S1_82 2.11(4) . ?
Au1C_1000 S1A_91 2.34(5) . ?
Au1C_1000 Cd8_1000 3.488(14) . ?
Au1D_1000 S1_73 2.687(10) . ?
Au1D_1000 Au1E_1000 2.787(10) . ?
Au1D_1000 Au1I_1000 3.287(11) . ?
Au1D_1000 Au1J_1000 3.353(11) . ?
Au1E_1000 S1_79 2.700(9) . ?
Au1E_1000 Au1G_1000 2.896(10) . ?
Au1F_1000 S1_89 2.062(13) . ?
Au1F_1000 Au1G_1000 2.642(12) . ?
Au1F_1000 Au1M_1000 2.739(12) . ?
Au1F_1000 Au1L_1000 2.893(13) . ?
Au1G_1000 S1_65 2.602(11) . ?
Au1G_1000 Au1M_1000 2.719(13) . ?
Au1G_1000 Au1L_1000 3.116(11) . ?
Au1H_1000 S1_64 1.853(13) . ?
Au1H_1000 S1_66 2.791(12) . ?
Au1I_1000 S1_85 2.193(14) . ?
Au1I_1000 S1_65 2.445(14) . ?
Au1J_1000 S1_66 2.193(12) . ?
Au1J_1000 S1_73 2.565(12) . ?
Au1L_1000 S1_69 2.265(19) . ?
Au1L_1000 S1_62 2.361(19) . ?
Au1M_1000 S1_67 2.491(12) . ?
Au1M_1000 Cd12_1000 3.148(14) . ?
Cd8_1000 S1_86 1.882(17) . ?
Cd8_1000 S1_90 2.36(4) . ?
Cd8_1000 S1A_91 2.55(4) . ?
Cd8_1000 C1_86 2.73(2) . ?
Cd9_1000 S1_63 2.340(19) . ?
Cd9_1000 S1_64 2.762(19) . ?
Cd9_1000 S1_82 2.82(4) . ?
Cd9_1000 S1_68 2.945(17) . ?
Cd11_1000 S1_81 2.256(19) . ?
Cd11_1000 S1_78 2.390(18) . ?
Cd11_1000 S1_74 2.73(2) . ?
Cd11_1000 S1_75 2.947(13) . ?
Cd12_1000 S1_67 2.35(3) . ?
Cd12_1000 S1_77 2.44(3) . ?
Cd12_1000 S1_79 2.68(2) . ?
Cd12_1000 S1_76 2.852(15) . ?
S1_2 C1_2 1.795(7) . ?
C1_2 C2_2 1.3900 . ?
C1_2 C6_2 1.3900 . ?
C2_2 C3_2 1.3900 . ?
C2_2 H2_2 0.9300 . ?
C3_2 C4_2 1.3900 . ?
C3_2 C7_2 1.519(10) . ?
C4_2 C5_2 1.3900 . ?
C4_2 H4_2 0.9300 . ?
C5_2 C6_2 1.3900 . ?
C5_2 C8_2 1.516(11) . ?
C6_2 H6_2 0.9300 . ?
C7_2 H7A_2 0.9600 . ?
C7_2 H7B_2 0.9600 . ?
C7_2 H7C_2 0.9600 . ?
C8_2 H8A_2 0.9600 . ?
C8_2 H8B_2 0.9600 . ?
C8_2 H8C_2 0.9600 . ?
S1_3 C1_3 1.784(9) . ?
C1_3 C2_3 1.376(11) . ?
C1_3 C6_3 1.402(11) . ?
C2_3 C3_3 1.393(11) . ?
C2_3 H2_3 0.9300 . ?
C3_3 C4_3 1.374(11) . ?
C3_3 C7_3 1.512(11) . ?
C4_3 C5_3 1.379(11) . ?
C4_3 H4_3 0.9300 . ?
C5_3 C6_3 1.387(11) . ?
C5_3 C8_3 1.501(11) . ?
C6_3 H6_3 0.9300 . ?
C7_3 H7A_3 0.9600 . ?
C7_3 H7B_3 0.9600 . ?
C7_3 H7C_3 0.9600 . ?
C8_3 H8A_3 0.9600 . ?
C8_3 H8B_3 0.9600 . ?
C8_3 H8C_3 0.9600 . ?
S1_4 C1_4 1.782(10) . ?
C1_4 C2_4 1.389(12) . ?
C1_4 C6_4 1.394(11) . ?
C2_4 C3_4 1.405(12) . ?
C2_4 H2_4 0.9300 . ?
C3_4 C4_4 1.368(12) . ?
C3_4 C7_4 1.521(12) . ?
C4_4 C5_4 1.366(12) . ?
C4_4 H4_4 0.9300 . ?
C5_4 C6_4 1.395(12) . ?
C5_4 C8_4 1.531(12) . ?
C6_4 H6_4 0.9300 . ?
C7_4 H7A_4 0.9600 . ?
C7_4 H7B_4 0.9600 . ?
C7_4 H7C_4 0.9600 . ?
C8_4 H8A_4 0.9600 . ?
C8_4 H8B_4 0.9600 . ?
C8_4 H8C_4 0.9600 . ?
S1_5 C1_5 1.798(10) . ?
C1_5 C2_5 1.387(11) . ?
C1_5 C6_5 1.390(12) . ?
C2_5 C3_5 1.413(11) . ?
C2_5 H2_5 0.9300 . ?
C3_5 C4_5 1.372(12) . ?
C3_5 C7_5 1.519(12) . ?
C4_5 C5_5 1.374(12) . ?
C4_5 H4_5 0.9300 . ?
C5_5 C6_5 1.410(11) . ?
C5_5 C8_5 1.528(12) . ?
C6_5 H6_5 0.9300 . ?
C7_5 H7A_5 0.9600 . ?
C7_5 H7B_5 0.9600 . ?
C7_5 H7C_5 0.9600 . ?
C8_5 H8A_5 0.9600 . ?
C8_5 H8B_5 0.9600 . ?
C8_5 H8C_5 0.9600 . ?
S1_6 C1_6 1.792(10) . ?
C1_6 C6_6 1.379(12) . ?
C1_6 C2_6 1.399(11) . ?
C2_6 C3_6 1.413(12) . ?
C2_6 H2_6 0.9300 . ?
C3_6 C4_6 1.372(12) . ?
C3_6 C7_6 1.521(12) . ?
C4_6 C5_6 1.375(12) . ?
C4_6 H4_6 0.9300 . ?
C5_6 C6_6 1.404(12) . ?
C5_6 C8_6 1.519(12) . ?
C6_6 H6_6 0.9300 . ?
C7_6 H7A_6 0.9600 . ?
C7_6 H7B_6 0.9600 . ?
C7_6 H7C_6 0.9600 . ?
C8_6 H8A_6 0.9600 . ?
C8_6 H8B_6 0.9600 . ?
C8_6 H8C_6 0.9600 . ?
S1_7 C1_7 1.785(10) . ?
C1_7 C2_7 1.398(12) . ?
C1_7 C6_7 1.408(12) . ?
C2_7 C3_7 1.432(12) . ?
C2_7 H2_7 0.9300 . ?
C3_7 C4_7 1.379(12) . ?
C3_7 C7_7 1.517(12) . ?
C4_7 C5_7 1.363(12) . ?
C4_7 H4_7 0.9300 . ?
C5_7 C6_7 1.386(12) . ?
C5_7 C8_7 1.527(12) . ?
C6_7 H6_7 0.9300 . ?
C7_7 H7A_7 0.9600 . ?
C7_7 H7B_7 0.9600 . ?
C7_7 H7C_7 0.9600 . ?
C8_7 H8A_7 0.9600 . ?
C8_7 H8B_7 0.9600 . ?
C8_7 H8C_7 0.9600 . ?
S1_8 C1_8 1.798(10) . ?
C1_8 C2_8 1.375(11) . ?
C1_8 C6_8 1.392(11) . ?
C2_8 C3_8 1.389(11) . ?
C2_8 H2_8 0.9300 . ?
C3_8 C4_8 1.383(12) . ?
C3_8 C7_8 1.528(12) . ?
C4_8 C5_8 1.375(12) . ?
C4_8 H4_8 0.9300 . ?
C5_8 C6_8 1.397(12) . ?
C5_8 C8_8 1.509(12) . ?
C6_8 H6_8 0.9300 . ?
C7_8 H7A_8 0.9600 . ?
C7_8 H7B_8 0.9600 . ?
C7_8 H7C_8 0.9600 . ?
C8_8 H8A_8 0.9600 . ?
C8_8 H8B_8 0.9600 . ?
C8_8 H8C_8 0.9600 . ?
S1_9 C1_9 1.788(10) . ?
C1_9 C6_9 1.392(12) . ?
C1_9 C2_9 1.398(12) . ?
C2_9 C3_9 1.406(12) . ?
C2_9 H2_9 0.9300 . ?
C3_9 C4_9 1.369(12) . ?
C3_9 C7_9 1.532(12) . ?
C4_9 C5_9 1.367(12) . ?
C4_9 H4_9 0.9300 . ?
C5_9 C6_9 1.399(12) . ?
C5_9 C8_9 1.510(12) . ?
C6_9 H6_9 0.9300 . ?
C7_9 H7A_9 0.9600 . ?
C7_9 H7B_9 0.9600 . ?
C7_9 H7C_9 0.9600 . ?
C8_9 H8A_9 0.9600 . ?
C8_9 H8B_9 0.9600 . ?
C8_9 H8C_9 0.9600 . ?
S1_10 C1_10 1.800(10) . ?
C1_10 C6_10 1.390(12) . ?
C1_10 C2_10 1.391(12) . ?
C2_10 C3_10 1.398(12) . ?
C2_10 H2_10 0.9300 . ?
C3_10 C4_10 1.373(12) . ?
C3_10 C7_10 1.509(12) . ?
C4_10 C5_10 1.363(12) . ?
C4_10 H4_10 0.9300 . ?
C5_10 C6_10 1.397(12) . ?
C5_10 C8_10 1.522(12) . ?
C6_10 H6_10 0.9300 . ?
C7_10 H7A_10 0.9600 . ?
C7_10 H7B_10 0.9600 . ?
C7_10 H7C_10 0.9600 . ?
C8_10 H8A_10 0.9600 . ?
C8_10 H8B_10 0.9600 . ?
C8_10 H8C_10 0.9600 . ?
S1_11 C1_11 1.785(10) . ?
C1_11 C2_11 1.384(12) . ?
C1_11 C6_11 1.389(12) . ?
C2_11 C3_11 1.400(12) . ?
C2_11 H2_11 0.9300 . ?
C3_11 C4_11 1.387(12) . ?
C3_11 C7_11 1.534(12) . ?
C4_11 C5_11 1.374(12) . ?
C4_11 H4_11 0.9300 . ?
C5_11 C6_11 1.388(12) . ?
C5_11 C8_11 1.528(12) . ?
C6_11 H6_11 0.9300 . ?
C7_11 H7A_11 0.9600 . ?
C7_11 H7B_11 0.9600 . ?
C7_11 H7C_11 0.9600 . ?
C8_11 H8A_11 0.9600 . ?
C8_11 H8B_11 0.9600 . ?
C8_11 H8C_11 0.9600 . ?
S1_12 C1_12 1.785(10) . ?
C1_12 C2_12 1.386(12) . ?
C1_12 C6_12 1.399(12) . ?
C2_12 C3_12 1.394(12) . ?
C2_12 H2_12 0.9300 . ?
C3_12 C4_12 1.378(12) . ?
C3_12 C7_12 1.534(12) . ?
C4_12 C5_12 1.369(12) . ?
C4_12 H4_12 0.9300 . ?
C5_12 C6_12 1.397(12) . ?
C5_12 C8_12 1.533(12) . ?
C6_12 H6_12 0.9300 . ?
C7_12 H7A_12 0.9600 . ?
C7_12 H7B_12 0.9600 . ?
C7_12 H7C_12 0.9600 . ?
C8_12 H8A_12 0.9600 . ?
C8_12 H8B_12 0.9600 . ?
C8_12 H8C_12 0.9600 . ?
S1_13 C1_13 1.781(10) . ?
C1_13 C2_13 1.387(12) . ?
C1_13 C6_13 1.392(12) . ?
C2_13 C3_13 1.404(12) . ?
C2_13 H2_13 0.9300 . ?
C3_13 C4_13 1.367(12) . ?
C3_13 C7_13 1.523(12) . ?
C4_13 C5_13 1.380(12) . ?
C4_13 H4_13 0.9300 . ?
C5_13 C6_13 1.414(12) . ?
C5_13 C8_13 1.523(12) . ?
C6_13 H6_13 0.9300 . ?
C7_13 H7A_13 0.9600 . ?
C7_13 H7B_13 0.9600 . ?
C7_13 H7C_13 0.9600 . ?
C8_13 H8A_13 0.9600 . ?
C8_13 H8B_13 0.9600 . ?
C8_13 H8C_13 0.9600 . ?
S1_14 C1_14 1.795(11) . ?
C1_14 C2_14 1.373(12) . ?
C1_14 C6_14 1.385(12) . ?
C2_14 C3_14 1.407(12) . ?
C2_14 H2_14 0.9300 . ?
C3_14 C4_14 1.370(12) . ?
C3_14 C7_14 1.527(12) . ?
C4_14 C5_14 1.370(12) . ?
C4_14 H4_14 0.9300 . ?
C5_14 C6_14 1.391(12) . ?
C5_14 C8_14 1.522(12) . ?
C6_14 H6_14 0.9300 . ?
C7_14 H7A_14 0.9600 . ?
C7_14 H7B_14 0.9600 . ?
C7_14 H7C_14 0.9600 . ?
C8_14 H8A_14 0.9600 . ?
C8_14 H8B_14 0.9600 . ?
C8_14 H8C_14 0.9600 . ?
S1_15 C1_15 1.792(10) . ?
C1_15 C2_15 1.373(12) . ?
C1_15 C6_15 1.385(12) . ?
C2_15 C3_15 1.393(12) . ?
C2_15 H2_15 0.9300 . ?
C3_15 C4_15 1.362(12) . ?
C3_15 C7_15 1.519(12) . ?
C4_15 C5_15 1.371(12) . ?
C4_15 H4_15 0.9300 . ?
C5_15 C6_15 1.406(12) . ?
C5_15 C8_15 1.515(12) . ?
C6_15 H6_15 0.9300 . ?
C7_15 H7A_15 0.9600 . ?
C7_15 H7B_15 0.9600 . ?
C7_15 H7C_15 0.9600 . ?
C8_15 H8A_15 0.9600 . ?
C8_15 H8B_15 0.9600 . ?
C8_15 H8C_15 0.9600 . ?
S1_16 C1_16 1.801(10) . ?
C1_16 C2_16 1.369(12) . ?
C1_16 C6_16 1.390(12) . ?
C2_16 C3_16 1.418(12) . ?
C2_16 H2_16 0.9300 . ?
C3_16 C4_16 1.361(12) . ?
C3_16 C7_16 1.527(12) . ?
C4_16 C5_16 1.369(12) . ?
C4_16 H4_16 0.9300 . ?
C5_16 C6_16 1.395(12) . ?
C5_16 C8_16 1.512(12) . ?
C6_16 H6_16 0.9300 . ?
C7_16 H7A_16 0.9600 . ?
C7_16 H7B_16 0.9600 . ?
C7_16 H7C_16 0.9600 . ?
C8_16 H8A_16 0.9600 . ?
C8_16 H8B_16 0.9600 . ?
C8_16 H8C_16 0.9600 . ?
S1_17 C1_17 1.783(11) . ?
C1_17 C2_17 1.381(12) . ?
C1_17 C6_17 1.392(12) . ?
C2_17 C3_17 1.417(12) . ?
C2_17 H2_17 0.9300 . ?
C3_17 C4_17 1.373(12) . ?
C3_17 C7_17 1.533(12) . ?
C4_17 C5_17 1.374(12) . ?
C4_17 H4_17 0.9300 . ?
C5_17 C6_17 1.404(12) . ?
C5_17 C8_17 1.537(12) . ?
C6_17 H6_17 0.9300 . ?
C7_17 H7A_17 0.9600 . ?
C7_17 H7B_17 0.9600 . ?
C7_17 H7C_17 0.9600 . ?
C8_17 H8A_17 0.9600 . ?
C8_17 H8B_17 0.9600 . ?
C8_17 H8C_17 0.9600 . ?
S1_18 C1_18 1.795(10) . ?
C1_18 C2_18 1.379(12) . ?
C1_18 C6_18 1.388(12) . ?
C2_18 C3_18 1.400(12) . ?
C2_18 H2_18 0.9300 . ?
C3_18 C4_18 1.370(12) . ?
C3_18 C7_18 1.513(12) . ?
C4_18 C5_18 1.371(12) . ?
C4_18 H4_18 0.9300 . ?
C5_18 C6_18 1.391(12) . ?
C5_18 C8_18 1.500(12) . ?
C6_18 H6_18 0.9300 . ?
C7_18 H7A_18 0.9600 . ?
C7_18 H7B_18 0.9600 . ?
C7_18 H7C_18 0.9600 . ?
C8_18 H8A_18 0.9600 . ?
C8_18 H8B_18 0.9600 . ?
C8_18 H8C_18 0.9600 . ?
S1_19 C1_19 1.791(10) . ?
C1_19 C2_19 1.382(12) . ?
C1_19 C6_19 1.391(12) . ?
C2_19 C3_19 1.417(12) . ?
C2_19 H2_19 0.9300 . ?
C3_19 C4_19 1.367(12) . ?
C3_19 C7_19 1.515(12) . ?
C4_19 C5_19 1.380(12) . ?
C4_19 H4_19 0.9300 . ?
C5_19 C6_19 1.394(12) . ?
C5_19 C8_19 1.516(12) . ?
C6_19 H6_19 0.9300 . ?
C7_19 H7A_19 0.9600 . ?
C7_19 H7B_19 0.9600 . ?
C7_19 H7C_19 0.9600 . ?
C8_19 H8A_19 0.9600 . ?
C8_19 H8B_19 0.9600 . ?
C8_19 H8C_19 0.9600 . ?
S1_20 C1_20 1.788(10) . ?
C1_20 C2_20 1.385(12) . ?
C1_20 C6_20 1.394(12) . ?
C2_20 C3_20 1.395(12) . ?
C2_20 H2_20 0.9300 . ?
C3_20 C4_20 1.363(12) . ?
C3_20 C7_20 1.532(12) . ?
C4_20 C5_20 1.362(12) . ?
C4_20 H4_20 0.9300 . ?
C5_20 C6_20 1.399(12) . ?
C5_20 C8_20 1.519(12) . ?
C6_20 H6_20 0.9300 . ?
C7_20 H7A_20 0.9600 . ?
C7_20 H7B_20 0.9600 . ?
C7_20 H7C_20 0.9600 . ?
C8_20 H8A_20 0.9600 . ?
C8_20 H8B_20 0.9600 . ?
C8_20 H8C_20 0.9600 . ?
S1_21 C1_21 1.788(10) . ?
C1_21 C2_21 1.375(12) . ?
C1_21 C6_21 1.392(11) . ?
C2_21 C3_21 1.413(12) . ?
C2_21 H2_21 0.9300 . ?
C3_21 C4_21 1.385(12) . ?
C3_21 C7_21 1.530(12) . ?
C4_21 C5_21 1.375(12) . ?
C4_21 H4_21 0.9300 . ?
C5_21 C6_21 1.399(12) . ?
C5_21 C8_21 1.510(12) . ?
C6_21 H6_21 0.9300 . ?
C7_21 H7A_21 0.9600 . ?
C7_21 H7B_21 0.9600 . ?
C7_21 H7C_21 0.9600 . ?
C8_21 H8A_21 0.9600 . ?
C8_21 H8B_21 0.9600 . ?
C8_21 H8C_21 0.9600 . ?
S1_22 C1_22 1.787(10) . ?
C1_22 C2_22 1.387(12) . ?
C1_22 C6_22 1.400(11) . ?
C2_22 C3_22 1.405(12) . ?
C2_22 H2_22 0.9300 . ?
C3_22 C4_22 1.379(12) . ?
C3_22 C7_22 1.521(12) . ?
C4_22 C5_22 1.380(12) . ?
C4_22 H4_22 0.9300 . ?
C5_22 C6_22 1.408(12) . ?
C5_22 C8_22 1.521(12) . ?
C6_22 H6_22 0.9300 . ?
C7_22 H7A_22 0.9600 . ?
C7_22 H7B_22 0.9600 . ?
C7_22 H7C_22 0.9600 . ?
C8_22 H8A_22 0.9600 . ?
C8_22 H8B_22 0.9600 . ?
C8_22 H8C_22 0.9600 . ?
S1_23 C1_23 1.781(10) . ?
C1_23 C6_23 1.376(11) . ?
C1_23 C2_23 1.386(11) . ?
C2_23 C3_23 1.395(12) . ?
C2_23 H2_23 0.9300 . ?
C3_23 C4_23 1.374(12) . ?
C3_23 C7_23 1.517(12) . ?
C4_23 C5_23 1.368(12) . ?
C4_23 H4_23 0.9300 . ?
C5_23 C6_23 1.416(12) . ?
C5_23 C8_23 1.524(12) . ?
C6_23 H6_23 0.9300 . ?
C7_23 H7A_23 0.9600 . ?
C7_23 H7B_23 0.9600 . ?
C7_23 H7C_23 0.9600 . ?
C8_23 H8A_23 0.9600 . ?
C8_23 H8B_23 0.9600 . ?
C8_23 H8C_23 0.9600 . ?
S1_24 C1_24 1.779(10) . ?
C1_24 C2_24 1.385(11) . ?
C1_24 C6_24 1.403(12) . ?
C2_24 C3_24 1.401(12) . ?
C2_24 H2_24 0.9300 . ?
C3_24 C4_24 1.387(12) . ?
C3_24 C7_24 1.523(12) . ?
C4_24 C5_24 1.364(12) . ?
C4_24 H4_24 0.9300 . ?
C5_24 C6_24 1.397(12) . ?
C5_24 C8_24 1.513(12) . ?
C6_24 H6_24 0.9300 . ?
C7_24 H7A_24 0.9600 . ?
C7_24 H7B_24 0.9600 . ?
C7_24 H7C_24 0.9600 . ?
C8_24 H8A_24 0.9600 . ?
C8_24 H8B_24 0.9600 . ?
C8_24 H8C_24 0.9600 . ?
S1_25 C1_25 1.790(10) . ?
C1_25 C2_25 1.376(11) . ?
C1_25 C6_25 1.386(11) . ?
C2_25 C3_25 1.401(11) . ?
C2_25 H2_25 0.9300 . ?
C3_25 C4_25 1.361(12) . ?
C3_25 C7_25 1.532(12) . ?
C4_25 C5_25 1.366(12) . ?
C4_25 H4_25 0.9300 . ?
C5_25 C6_25 1.403(12) . ?
C5_25 C8_25 1.530(12) . ?
C6_25 H6_25 0.9300 . ?
C7_25 H7A_25 0.9600 . ?
C7_25 H7B_25 0.9600 . ?
C7_25 H7C_25 0.9600 . ?
C8_25 H8A_25 0.9600 . ?
C8_25 H8B_25 0.9600 . ?
C8_25 H8C_25 0.9600 . ?
S1_26 C1_26 1.794(10) . ?
C1_26 C6_26 1.386(11) . ?
C1_26 C2_26 1.389(11) . ?
C2_26 C3_26 1.418(11) . ?
C2_26 H2_26 0.9300 . ?
C3_26 C4_26 1.365(12) . ?
C3_26 C7_26 1.524(12) . ?
C4_26 C5_26 1.379(12) . ?
C4_26 H4_26 0.9300 . ?
C5_26 C6_26 1.426(11) . ?
C5_26 C8_26 1.509(12) . ?
C6_26 H6_26 0.9300 . ?
C7_26 H7A_26 0.9600 . ?
C7_26 H7B_26 0.9600 . ?
C7_26 H7C_26 0.9600 . ?
C8_26 H8A_26 0.9600 . ?
C8_26 H8B_26 0.9600 . ?
C8_26 H8C_26 0.9600 . ?
S1_27 C1_27 1.782(10) . ?
C1_27 C6_27 1.390(12) . ?
C1_27 C2_27 1.392(12) . ?
C2_27 C3_27 1.414(12) . ?
C2_27 H2_27 0.9300 . ?
C3_27 C4_27 1.367(12) . ?
C3_27 C7_27 1.530(12) . ?
C4_27 C5_27 1.373(12) . ?
C4_27 H4_27 0.9300 . ?
C5_27 C6_27 1.399(12) . ?
C5_27 C8_27 1.509(12) . ?
C6_27 H6_27 0.9300 . ?
C7_27 H7A_27 0.9600 . ?
C7_27 H7B_27 0.9600 . ?
C7_27 H7C_27 0.9600 . ?
C8_27 H8A_27 0.9600 . ?
C8_27 H8B_27 0.9600 . ?
C8_27 H8C_27 0.9600 . ?
S1_28 C1_28 1.807(11) . ?
C1_28 C6_28 1.382(12) . ?
C1_28 C2_28 1.383(12) . ?
C2_28 C3_28 1.408(12) . ?
C2_28 H2_28 0.9300 . ?
C3_28 C4_28 1.375(12) . ?
C3_28 C7_28 1.524(12) . ?
C4_28 C5_28 1.369(12) . ?
C4_28 H4_28 0.9300 . ?
C5_28 C6_28 1.394(12) . ?
C5_28 C8_28 1.512(12) . ?
C6_28 H6_28 0.9300 . ?
C7_28 H7A_28 0.9600 . ?
C7_28 H7B_28 0.9600 . ?
C7_28 H7C_28 0.9600 . ?
C8_28 H8A_28 0.9600 . ?
C8_28 H8B_28 0.9600 . ?
C8_28 H8C_28 0.9600 . ?
S1_29 C1_29 1.787(11) . ?
C1_29 C2_29 1.370(12) . ?
C1_29 C6_29 1.397(12) . ?
C2_29 C3_29 1.415(12) . ?
C2_29 H2_29 0.9300 . ?
C3_29 C4_29 1.369(12) . ?
C3_29 C7_29 1.528(12) . ?
C4_29 C5_29 1.366(12) . ?
C4_29 H4_29 0.9300 . ?
C5_29 C6_29 1.378(12) . ?
C5_29 C8_29 1.524(12) . ?
C6_29 H6_29 0.9300 . ?
C7_29 H7A_29 0.9600 . ?
C7_29 H7B_29 0.9600 . ?
C7_29 H7C_29 0.9600 . ?
C8_29 H8A_29 0.9600 . ?
C8_29 H8B_29 0.9600 . ?
C8_29 H8C_29 0.9600 . ?
S1_30 C1_30 1.776(11) . ?
C1_30 C6_30 1.379(12) . ?
C1_30 C2_30 1.385(12) . ?
C2_30 C3_30 1.396(12) . ?
C2_30 H2_30 0.9300 . ?
C3_30 C4_30 1.364(12) . ?
C3_30 C7_30 1.517(13) . ?
C4_30 C5_30 1.372(12) . ?
C4_30 H4_30 0.9300 . ?
C5_30 C6_30 1.408(12) . ?
C5_30 C8_30 1.515(12) . ?
C6_30 H6_30 0.9300 . ?
C7_30 H7A_30 0.9600 . ?
C7_30 H7B_30 0.9600 . ?
C7_30 H7C_30 0.9600 . ?
C8_30 H8A_30 0.9600 . ?
C8_30 H8B_30 0.9600 . ?
C8_30 H8C_30 0.9600 . ?
S1_31 C1_31 1.779(11) . ?
C1_31 C6_31 1.381(12) . ?
C1_31 C2_31 1.394(12) . ?
C2_31 C3_31 1.400(12) . ?
C2_31 H2_31 0.9300 . ?
C3_31 C4_31 1.360(12) . ?
C3_31 C7_31 1.527(12) . ?
C4_31 C5_31 1.367(12) . ?
C4_31 H4_31 0.9300 . ?
C5_31 C6_31 1.407(12) . ?
C5_31 C8_31 1.517(12) . ?
C6_31 H6_31 0.9300 . ?
C7_31 H7A_31 0.9600 . ?
C7_31 H7B_31 0.9600 . ?
C7_31 H7C_31 0.9600 . ?
C8_31 H8A_31 0.9600 . ?
C8_31 H8B_31 0.9600 . ?
C8_31 H8C_31 0.9600 . ?
S1_32 C1_32 1.798(10) . ?
C1_32 C2_32 1.377(12) . ?
C1_32 C6_32 1.384(12) . ?
C2_32 C3_32 1.408(12) . ?
C2_32 H2_32 0.9300 . ?
C3_32 C4_32 1.367(12) . ?
C3_32 C7_32 1.511(12) . ?
C4_32 C5_32 1.382(12) . ?
C4_32 H4_32 0.9300 . ?
C5_32 C6_32 1.405(12) . ?
C5_32 C8_32 1.523(12) . ?
C6_32 H6_32 0.9300 . ?
C7_32 H7A_32 0.9600 . ?
C7_32 H7B_32 0.9600 . ?
C7_32 H7C_32 0.9600 . ?
C8_32 H8A_32 0.9600 . ?
C8_32 H8B_32 0.9600 . ?
C8_32 H8C_32 0.9600 . ?
S1_33 C1_33 1.773(11) . ?
C1_33 C6_33 1.383(12) . ?
C1_33 C2_33 1.391(12) . ?
C2_33 C3_33 1.418(12) . ?
C2_33 H2_33 0.9300 . ?
C3_33 C4_33 1.374(12) . ?
C3_33 C7_33 1.527(12) . ?
C4_33 C5_33 1.375(12) . ?
C4_33 H4_33 0.9300 . ?
C5_33 C6_33 1.407(12) . ?
C5_33 C8_33 1.487(12) . ?
C6_33 H6_33 0.9300 . ?
C7_33 H7A_33 0.9600 . ?
C7_33 H7B_33 0.9600 . ?
C7_33 H7C_33 0.9600 . ?
C8_33 H8A_33 0.9600 . ?
C8_33 H8B_33 0.9600 . ?
C8_33 H8C_33 0.9600 . ?
S1_34 C1_34 1.755(12) . ?
C1_34 C2_34 1.382(12) . ?
C1_34 C6_34 1.413(12) . ?
C2_34 C3_34 1.430(13) . ?
C2_34 H2_34 0.9300 . ?
C3_34 C4_34 1.373(12) . ?
C3_34 C7_34 1.531(13) . ?
C4_34 C5_34 1.375(13) . ?
C4_34 H4_34 0.9300 . ?
C5_34 C6_34 1.400(13) . ?
C5_34 C8_34 1.532(12) . ?
C6_34 H6_34 0.9300 . ?
C7_34 H7A_34 0.9600 . ?
C7_34 H7B_34 0.9600 . ?
C7_34 H7C_34 0.9600 . ?
C8_34 H8A_34 0.9600 . ?
C8_34 H8B_34 0.9600 . ?
C8_34 H8C_34 0.9600 . ?
S1_35 C1_35 1.787(10) . ?
C1_35 C2_35 1.372(12) . ?
C1_35 C6_35 1.394(12) . ?
C2_35 C3_35 1.402(12) . ?
C2_35 H2_35 0.9300 . ?
C3_35 C4_35 1.350(12) . ?
C3_35 C7_35 1.502(12) . ?
C4_35 C5_35 1.388(12) . ?
C4_35 H4_35 0.9300 . ?
C5_35 C6_35 1.407(12) . ?
C5_35 C8_35 1.541(12) . ?
C6_35 H6_35 0.9300 . ?
C7_35 H7A_35 0.9600 . ?
C7_35 H7B_35 0.9600 . ?
C7_35 H7C_35 0.9600 . ?
C8_35 H8A_35 0.9600 . ?
C8_35 H8B_35 0.9600 . ?
C8_35 H8C_35 0.9600 . ?
S1_36 C1_36 1.797(10) . ?
C1_36 C2_36 1.390(12) . ?
C1_36 C6_36 1.396(12) . ?
C2_36 C3_36 1.413(11) . ?
C2_36 H2_36 0.9300 . ?
C3_36 C4_36 1.364(12) . ?
C3_36 C7_36 1.531(12) . ?
C4_36 C5_36 1.377(12) . ?
C4_36 H4_36 0.9300 . ?
C5_36 C6_36 1.411(11) . ?
C5_36 C8_36 1.510(12) . ?
C6_36 H6_36 0.9300 . ?
C7_36 H7A_36 0.9600 . ?
C7_36 H7B_36 0.9600 . ?
C7_36 H7C_36 0.9600 . ?
C8_36 H8A_36 0.9600 . ?
C8_36 H8B_36 0.9600 . ?
C8_36 H8C_36 0.9600 . ?
S1_37 C1_37 1.762(11) . ?
C1_37 C6_37 1.394(13) . ?
C1_37 C2_37 1.400(12) . ?
C2_37 C3_37 1.418(13) . ?
C2_37 H2_37 0.9300 . ?
C3_37 C4_37 1.385(13) . ?
C3_37 C7_37 1.550(13) . ?
C4_37 C5_37 1.402(13) . ?
C4_37 H4_37 0.9300 . ?
C5_37 C6_37 1.421(13) . ?
C5_37 C8_37 1.524(13) . ?
C6_37 H6_37 0.9300 . ?
C7_37 H7A_37 0.9600 . ?
C7_37 H7B_37 0.9600 . ?
C7_37 H7C_37 0.9600 . ?
C8_37 H8A_37 0.9600 . ?
C8_37 H8B_37 0.9600 . ?
C8_37 H8C_37 0.9600 . ?
S1_38 C1_38 1.784(10) . ?
C1_38 C2_38 1.379(12) . ?
C1_38 C6_38 1.391(12) . ?
C2_38 C3_38 1.421(12) . ?
C2_38 H2_38 0.9300 . ?
C3_38 C4_38 1.369(12) . ?
C3_38 C7_38 1.513(12) . ?
C4_38 C5_38 1.363(12) . ?
C4_38 H4_38 0.9300 . ?
C5_38 C6_38 1.389(12) . ?
C5_38 C8_38 1.525(12) . ?
C6_38 H6_38 0.9300 . ?
C7_38 H7A_38 0.9600 . ?
C7_38 H7B_38 0.9600 . ?
C7_38 H7C_38 0.9600 . ?
C8_38 H8A_38 0.9600 . ?
C8_38 H8B_38 0.9600 . ?
C8_38 H8C_38 0.9600 . ?
S1_39 C1_39 1.826(11) . ?
C1_39 C6_39 1.388(12) . ?
C1_39 C2_39 1.397(12) . ?
C2_39 C3_39 1.419(12) . ?
C2_39 H2_39 0.9300 . ?
C3_39 C4_39 1.380(12) . ?
C3_39 C7_39 1.515(12) . ?
C4_39 C5_39 1.391(12) . ?
C4_39 H4_39 0.9300 . ?
C5_39 C6_39 1.403(12) . ?
C5_39 C8_39 1.515(12) . ?
C6_39 H6_39 0.9300 . ?
C7_39 H7A_39 0.9600 . ?
C7_39 H7B_39 0.9600 . ?
C7_39 H7C_39 0.9600 . ?
C8_39 H8A_39 0.9600 . ?
C8_39 H8B_39 0.9600 . ?
C8_39 H8C_39 0.9600 . ?
S1_40 C1_40 1.801(11) . ?
C1_40 C2_40 1.380(12) . ?
C1_40 C6_40 1.392(12) . ?
C2_40 C3_40 1.411(12) . ?
C2_40 H2_40 0.9300 . ?
C3_40 C4_40 1.378(12) . ?
C3_40 C7_40 1.522(12) . ?
C4_40 C5_40 1.369(12) . ?
C4_40 H4_40 0.9300 . ?
C5_40 C6_40 1.402(12) . ?
C5_40 C8_40 1.510(12) . ?
C6_40 H6_40 0.9300 . ?
C7_40 H7A_40 0.9600 . ?
C7_40 H7B_40 0.9600 . ?
C7_40 H7C_40 0.9600 . ?
C8_40 H8A_40 0.9600 . ?
C8_40 H8B_40 0.9600 . ?
C8_40 H8C_40 0.9600 . ?
S1_41 C1_41 1.799(11) . ?
C1_41 C2_41 1.381(12) . ?
C1_41 C6_41 1.391(12) . ?
C2_41 C3_41 1.420(12) . ?
C2_41 H2_41 0.9300 . ?
C3_41 C4_41 1.356(12) . ?
C3_41 C7_41 1.535(12) . ?
C4_41 C5_41 1.359(12) . ?
C4_41 H4_41 0.9300 . ?
C5_41 C6_41 1.387(12) . ?
C5_41 C8_41 1.524(12) . ?
C6_41 H6_41 0.9300 . ?
C7_41 H7A_41 0.9600 . ?
C7_41 H7B_41 0.9600 . ?
C7_41 H7C_41 0.9600 . ?
C8_41 H8A_41 0.9600 . ?
C8_41 H8B_41 0.9600 . ?
C8_41 H8C_41 0.9600 . ?
S1_42 C1_42 1.791(10) . ?
C1_42 C2_42 1.378(12) . ?
C1_42 C6_42 1.393(12) . ?
C2_42 C3_42 1.400(12) . ?
C2_42 H2_42 0.9300 . ?
C3_42 C4_42 1.375(12) . ?
C3_42 C7_42 1.524(12) . ?
C4_42 C5_42 1.374(12) . ?
C4_42 H4_42 0.9300 . ?
C5_42 C6_42 1.407(12) . ?
C5_42 C8_42 1.517(12) . ?
C6_42 H6_42 0.9300 . ?
C7_42 H7A_42 0.9600 . ?
C7_42 H7B_42 0.9600 . ?
C7_42 H7C_42 0.9600 . ?
C8_42 H8A_42 0.9600 . ?
C8_42 H8B_42 0.9600 . ?
C8_42 H8C_42 0.9600 . ?
S1_43 C1_43 1.790(12) . ?
C1_43 C6_43 1.383(13) . ?
C1_43 C2_43 1.393(12) . ?
C2_43 C3_43 1.398(13) . ?
C2_43 H2_43 0.9300 . ?
C3_43 C4_43 1.364(13) . ?
C3_43 C7_43 1.532(12) . ?
C4_43 C5_43 1.363(12) . ?
C4_43 H4_43 0.9300 . ?
C5_43 C6_43 1.411(12) . ?
C5_43 C8_43 1.506(13) . ?
C6_43 H6_43 0.9300 . ?
C7_43 H7A_43 0.9600 . ?
C7_43 H7B_43 0.9600 . ?
C7_43 H7C_43 0.9600 . ?
C8_43 H8A_43 0.9600 . ?
C8_43 H8B_43 0.9600 . ?
C8_43 H8C_43 0.9600 . ?
S1_44 C1_44 1.796(11) . ?
C1_44 C2_44 1.392(12) . ?
C1_44 C6_44 1.394(12) . ?
C2_44 C3_44 1.401(12) . ?
C2_44 H2_44 0.9300 . ?
C3_44 C4_44 1.373(12) . ?
C3_44 C7_44 1.532(12) . ?
C4_44 C5_44 1.364(12) . ?
C4_44 H4_44 0.9300 . ?
C5_44 C6_44 1.406(12) . ?
C5_44 C8_44 1.517(12) . ?
C6_44 H6_44 0.9300 . ?
C7_44 H7A_44 0.9600 . ?
C7_44 H7B_44 0.9600 . ?
C7_44 H7C_44 0.9600 . ?
C8_44 H8A_44 0.9600 . ?
C8_44 H8B_44 0.9600 . ?
C8_44 H8C_44 0.9600 . ?
S1_45 C1_45 1.812(10) . ?
C1_45 C6_45 1.393(11) . ?
C1_45 C2_45 1.398(11) . ?
C2_45 C3_45 1.409(12) . ?
C2_45 H2_45 0.9300 . ?
C3_45 C4_45 1.375(12) . ?
C3_45 C7_45 1.524(12) . ?
C4_45 C5_45 1.379(12) . ?
C4_45 H4_45 0.9300 . ?
C5_45 C6_45 1.396(12) . ?
C5_45 C8_45 1.535(12) . ?
C6_45 H6_45 0.9300 . ?
C7_45 H7A_45 0.9600 . ?
C7_45 H7B_45 0.9600 . ?
C7_45 H7C_45 0.9600 . ?
C8_45 H8A_45 0.9600 . ?
C8_45 H8B_45 0.9600 . ?
C8_45 H8C_45 0.9600 . ?
S1_46 C1_46 1.793(11) . ?
C1_46 C2_46 1.375(12) . ?
C1_46 C6_46 1.412(12) . ?
C2_46 C3_46 1.402(12) . ?
C2_46 H2_46 0.9300 . ?
C3_46 C4_46 1.367(12) . ?
C3_46 C7_46 1.511(12) . ?
C4_46 C5_46 1.380(12) . ?
C4_46 H4_46 0.9300 . ?
C5_46 C6_46 1.404(12) . ?
C5_46 C8_46 1.511(12) . ?
C6_46 H6_46 0.9300 . ?
C7_46 H7A_46 0.9600 . ?
C7_46 H7B_46 0.9600 . ?
C7_46 H7C_46 0.9600 . ?
C8_46 H8A_46 0.9600 . ?
C8_46 H8B_46 0.9600 . ?
C8_46 H8C_46 0.9600 . ?
S1_47 C1_47 1.784(11) . ?
C1_47 C2_47 1.386(12) . ?
C1_47 C6_47 1.390(12) . ?
C2_47 C3_47 1.411(12) . ?
C2_47 H2_47 0.9300 . ?
C3_47 C4_47 1.363(12) . ?
C3_47 C7_47 1.529(12) . ?
C4_47 C5_47 1.377(12) . ?
C4_47 H4_47 0.9300 . ?
C5_47 C6_47 1.406(12) . ?
C5_47 C8_47 1.525(12) . ?
C6_47 H6_47 0.9300 . ?
C7_47 H7A_47 0.9600 . ?
C7_47 H7B_47 0.9600 . ?
C7_47 H7C_47 0.9600 . ?
C8_47 H8A_47 0.9600 . ?
C8_47 H8B_47 0.9600 . ?
C8_47 H8C_47 0.9600 . ?
S1_48 C1_48 1.763(11) . ?
C1_48 C2_48 1.378(12) . ?
C1_48 C6_48 1.390(12) . ?
C2_48 C3_48 1.413(12) . ?
C2_48 H2_48 0.9300 . ?
C3_48 C4_48 1.373(12) . ?
C3_48 C7_48 1.531(12) . ?
C4_48 C5_48 1.379(12) . ?
C4_48 H4_48 0.9300 . ?
C5_48 C6_48 1.397(12) . ?
C5_48 C8_48 1.522(12) . ?
C6_48 H6_48 0.9300 . ?
C7_48 H7A_48 0.9600 . ?
C7_48 H7B_48 0.9600 . ?
C7_48 H7C_48 0.9600 . ?
C8_48 H8A_48 0.9600 . ?
C8_48 H8B_48 0.9600 . ?
C8_48 H8C_48 0.9600 . ?
S1_49 C1_49 1.773(10) . ?
C1_49 C2_49 1.377(11) . ?
C1_49 C6_49 1.410(12) . ?
C2_49 C3_49 1.409(12) . ?
C2_49 H2_49 0.9300 . ?
C3_49 C4_49 1.367(12) . ?
C3_49 C7_49 1.520(12) . ?
C4_49 C5_49 1.369(12) . ?
C4_49 H4_49 0.9300 . ?
C5_49 C6_49 1.409(12) . ?
C5_49 C8_49 1.515(12) . ?
C6_49 H6_49 0.9300 . ?
C7_49 H7A_49 0.9600 . ?
C7_49 H7B_49 0.9600 . ?
C7_49 H7C_49 0.9600 . ?
C8_49 H8A_49 0.9600 . ?
C8_49 H8B_49 0.9600 . ?
C8_49 H8C_49 0.9600 . ?
S1_50 C1_50 1.800(10) . ?
C1_50 C2_50 1.382(11) . ?
C1_50 C6_50 1.393(12) . ?
C2_50 C3_50 1.409(11) . ?
C2_50 H2_50 0.9300 . ?
C3_50 C4_50 1.375(12) . ?
C3_50 C7_50 1.511(12) . ?
C4_50 C5_50 1.369(11) . ?
C4_50 H4_50 0.9300 . ?
C5_50 C6_50 1.405(11) . ?
C5_50 C8_50 1.509(12) . ?
C6_50 H6_50 0.9300 . ?
C7_50 H7A_50 0.9600 . ?
C7_50 H7B_50 0.9600 . ?
C7_50 H7C_50 0.9600 . ?
C8_50 H8A_50 0.9600 . ?
C8_50 H8B_50 0.9600 . ?
C8_50 H8C_50 0.9600 . ?
S1_51 C1_51 1.789(10) . ?
C1_51 C6_51 1.388(11) . ?
C1_51 C2_51 1.389(12) . ?
C2_51 C3_51 1.391(12) . ?
C2_51 H2_51 0.9300 . ?
C3_51 C4_51 1.380(12) . ?
C3_51 C7_51 1.506(12) . ?
C4_51 C5_51 1.367(12) . ?
C4_51 H4_51 0.9300 . ?
C5_51 C6_51 1.406(12) . ?
C5_51 C8_51 1.524(12) . ?
C6_51 H6_51 0.9300 . ?
C7_51 H7A_51 0.9600 . ?
C7_51 H7B_51 0.9600 . ?
C7_51 H7C_51 0.9600 . ?
C8_51 H8A_51 0.9600 . ?
C8_51 H8B_51 0.9600 . ?
C8_51 H8C_51 0.9600 . ?
S1_52 C1_52 1.779(10) . ?
C1_52 C2_52 1.375(11) . ?
C1_52 C6_52 1.401(11) . ?
C2_52 C3_52 1.399(12) . ?
C2_52 H2_52 0.9300 . ?
C3_52 C4_52 1.367(11) . ?
C3_52 C7_52 1.513(12) . ?
C4_52 C5_52 1.384(12) . ?
C4_52 H4_52 0.9300 . ?
C5_52 C6_52 1.381(12) . ?
C5_52 C8_52 1.529(12) . ?
C6_52 H6_52 0.9300 . ?
C7_52 H7A_52 0.9600 . ?
C7_52 H7B_52 0.9600 . ?
C7_52 H7C_52 0.9600 . ?
C8_52 H8A_52 0.9600 . ?
C8_52 H8B_52 0.9600 . ?
C8_52 H8C_52 0.9600 . ?
S1_53 C1_53 1.768(10) . ?
C1_53 C2_53 1.390(11) . ?
C1_53 C6_53 1.390(12) . ?
C2_53 C3_53 1.409(12) . ?
C2_53 H2_53 0.9300 . ?
C3_53 C4_53 1.369(12) . ?
C3_53 C7_53 1.510(12) . ?
C4_53 C5_53 1.380(12) . ?
C4_53 H4_53 0.9300 . ?
C5_53 C6_53 1.401(12) . ?
C5_53 C8_53 1.516(12) . ?
C6_53 H6_53 0.9300 . ?
C7_53 H7A_53 0.9600 . ?
C7_53 H7B_53 0.9600 . ?
C7_53 H7C_53 0.9600 . ?
C8_53 H8A_53 0.9600 . ?
C8_53 H8B_53 0.9600 . ?
C8_53 H8C_53 0.9600 . ?
S1_54 C1_54 1.787(10) . ?
C1_54 C2_54 1.375(12) . ?
C1_54 C6_54 1.392(12) . ?
C2_54 C3_54 1.415(12) . ?
C2_54 H2_54 0.9300 . ?
C3_54 C4_54 1.359(12) . ?
C3_54 C7_54 1.515(12) . ?
C4_54 C5_54 1.368(12) . ?
C4_54 H4_54 0.9300 . ?
C5_54 C6_54 1.408(12) . ?
C5_54 C8_54 1.522(12) . ?
C6_54 H6_54 0.9300 . ?
C7_54 H7A_54 0.9600 . ?
C7_54 H7B_54 0.9600 . ?
C7_54 H7C_54 0.9600 . ?
C8_54 H8A_54 0.9600 . ?
C8_54 H8B_54 0.9600 . ?
C8_54 H8C_54 0.9600 . ?
S1_55 C1_55 1.787(10) . ?
C1_55 C2_55 1.369(12) . ?
C1_55 C6_55 1.409(12) . ?
C2_55 C3_55 1.409(12) . ?
C2_55 H2_55 0.9300 . ?
C3_55 C4_55 1.379(12) . ?
C3_55 C7_55 1.516(12) . ?
C4_55 C5_55 1.370(12) . ?
C4_55 H4_55 0.9300 . ?
C5_55 C6_55 1.388(12) . ?
C5_55 C8_55 1.511(12) . ?
C6_55 H6_55 0.9300 . ?
C7_55 H7A_55 0.9600 . ?
C7_55 H7B_55 0.9600 . ?
C7_55 H7C_55 0.9600 . ?
C8_55 H8A_55 0.9600 . ?
C8_55 H8B_55 0.9600 . ?
C8_55 H8C_55 0.9600 . ?
S1_56 C1_56 1.794(10) . ?
C1_56 C2_56 1.372(11) . ?
C1_56 C6_56 1.398(11) . ?
C2_56 C3_56 1.407(11) . ?
C2_56 H2_56 0.9300 . ?
C3_56 C4_56 1.361(11) . ?
C3_56 C7_56 1.533(12) . ?
C4_56 C5_56 1.370(11) . ?
C4_56 H4_56 0.9300 . ?
C5_56 C6_56 1.407(11) . ?
C5_56 C8_56 1.509(12) . ?
C6_56 H6_56 0.9300 . ?
C7_56 H7A_56 0.9600 . ?
C7_56 H7B_56 0.9600 . ?
C7_56 H7C_56 0.9600 . ?
C8_56 H8A_56 0.9600 . ?
C8_56 H8B_56 0.9600 . ?
C8_56 H8C_56 0.9600 . ?
S1_57 C1_57 1.790(10) . ?
C1_57 C6_57 1.382(12) . ?
C1_57 C2_57 1.393(12) . ?
C2_57 C3_57 1.395(12) . ?
C2_57 H2_57 0.9300 . ?
C3_57 C4_57 1.368(12) . ?
C3_57 C7_57 1.524(12) . ?
C4_57 C5_57 1.367(12) . ?
C4_57 H4_57 0.9300 . ?
C5_57 C6_57 1.413(12) . ?
C5_57 C8_57 1.503(12) . ?
C6_57 H6_57 0.9300 . ?
C7_57 H7A_57 0.9600 . ?
C7_57 H7B_57 0.9600 . ?
C7_57 H7C_57 0.9600 . ?
C8_57 H8A_57 0.9600 . ?
C8_57 H8B_57 0.9600 . ?
C8_57 H8C_57 0.9600 . ?
S1_58 C1_58 1.772(10) . ?
C1_58 C2_58 1.389(12) . ?
C1_58 C6_58 1.397(12) . ?
C2_58 C3_58 1.409(12) . ?
C2_58 H2_58 0.9300 . ?
C3_58 C4_58 1.375(12) . ?
C3_58 C7_58 1.518(12) . ?
C4_58 C5_58 1.380(12) . ?
C4_58 H4_58 0.9300 . ?
C5_58 C6_58 1.401(12) . ?
C5_58 C8_58 1.518(12) . ?
C6_58 H6_58 0.9300 . ?
C7_58 H7A_58 0.9600 . ?
C7_58 H7B_58 0.9600 . ?
C7_58 H7C_58 0.9600 . ?
C8_58 H8A_58 0.9600 . ?
C8_58 H8B_58 0.9600 . ?
C8_58 H8C_58 0.9600 . ?
S1_59 C1_59 1.796(10) . ?
C1_59 C2_59 1.385(12) . ?
C1_59 C6_59 1.402(12) . ?
C2_59 C3_59 1.411(12) . ?
C2_59 H2_59 0.9300 . ?
C3_59 C4_59 1.359(12) . ?
C3_59 C7_59 1.521(12) . ?
C4_59 C5_59 1.365(12) . ?
C4_59 H4_59 0.9300 . ?
C5_59 C6_59 1.381(12) . ?
C5_59 C8_59 1.515(12) . ?
C6_59 H6_59 0.9300 . ?
C7_59 H7A_59 0.9600 . ?
C7_59 H7B_59 0.9600 . ?
C7_59 H7C_59 0.9600 . ?
C8_59 H8A_59 0.9600 . ?
C8_59 H8B_59 0.9600 . ?
C8_59 H8C_59 0.9600 . ?
S1_60 C1_60 1.777(11) . ?
C1_60 C6_60 1.371(12) . ?
C1_60 C2_60 1.390(12) . ?
C2_60 C3_60 1.406(12) . ?
C2_60 H2_60 0.9300 . ?
C3_60 C4_60 1.379(12) . ?
C3_60 C7_60 1.529(12) . ?
C4_60 C5_60 1.362(12) . ?
C4_60 H4_60 0.9300 . ?
C5_60 C6_60 1.388(12) . ?
C5_60 C8_60 1.500(12) . ?
C6_60 H6_60 0.9300 . ?
C7_60 H7A_60 0.9600 . ?
C7_60 H7B_60 0.9600 . ?
C7_60 H7C_60 0.9600 . ?
C8_60 H8A_60 0.9600 . ?
C8_60 H8B_60 0.9600 . ?
C8_60 H8C_60 0.9600 . ?
S1_61 C1_61 1.778(12) . ?
C1_61 C2_61 1.375(13) . ?
C1_61 C6_61 1.386(12) . ?
C2_61 C3_61 1.405(13) . ?
C2_61 H2_61 0.9300 . ?
C3_61 C4_61 1.374(13) . ?
C3_61 C7_61 1.527(13) . ?
C4_61 C5_61 1.370(13) . ?
C4_61 H4_61 0.9300 . ?
C5_61 C6_61 1.405(13) . ?
C5_61 C8_61 1.525(13) . ?
C6_61 H6_61 0.9300 . ?
C7_61 H7A_61 0.9600 . ?
C7_61 H7B_61 0.9600 . ?
C7_61 H7C_61 0.9600 . ?
C8_61 H8A_61 0.9600 . ?
C8_61 H8B_61 0.9600 . ?
C8_61 H8C_61 0.9600 . ?
S1_62 C1_62 1.792(10) . ?
C1_62 C2_62 1.378(12) . ?
C1_62 C6_62 1.395(12) . ?
C2_62 C3_62 1.409(12) . ?
C2_62 H2_62 0.9300 . ?
C3_62 C4_62 1.381(12) . ?
C3_62 C7_62 1.531(12) . ?
C4_62 C5_62 1.366(12) . ?
C4_62 H4_62 0.9300 . ?
C5_62 C6_62 1.400(12) . ?
C5_62 C8_62 1.511(12) . ?
C6_62 H6_62 0.9300 . ?
C7_62 H7A_62 0.9600 . ?
C7_62 H7B_62 0.9600 . ?
C7_62 H7C_62 0.9600 . ?
C8_62 H8A_62 0.9600 . ?
C8_62 H8B_62 0.9600 . ?
C8_62 H8C_62 0.9600 . ?
S1_63 C1_63 1.779(11) . ?
C1_63 C2_63 1.366(12) . ?
C1_63 C6_63 1.395(12) . ?
C2_63 C3_63 1.410(12) . ?
C2_63 H2_63 0.9300 . ?
C3_63 C4_63 1.377(12) . ?
C3_63 C7_63 1.525(12) . ?
C4_63 C5_63 1.385(12) . ?
C4_63 H4_63 0.9300 . ?
C5_63 C6_63 1.422(12) . ?
C5_63 C8_63 1.500(12) . ?
C6_63 H6_63 0.9300 . ?
C7_63 H7A_63 0.9600 . ?
C7_63 H7B_63 0.9600 . ?
C7_63 H7C_63 0.9600 . ?
C8_63 H8A_63 0.9600 . ?
C8_63 H8B_63 0.9600 . ?
C8_63 H8C_63 0.9600 . ?
S1_64 C1_64 1.764(11) . ?
C1_64 C2_64 1.373(12) . ?
C1_64 C6_64 1.398(13) . ?
C2_64 C3_64 1.412(12) . ?
C2_64 H2_64 0.9300 . ?
C3_64 C4_64 1.383(13) . ?
C3_64 C7_64 1.511(13) . ?
C4_64 C5_64 1.367(13) . ?
C4_64 H4_64 0.9300 . ?
C5_64 C6_64 1.398(13) . ?
C5_64 C8_64 1.510(12) . ?
C6_64 H6_64 0.9300 . ?
C7_64 H7A_64 0.9600 . ?
C7_64 H7B_64 0.9600 . ?
C7_64 H7C_64 0.9600 . ?
C8_64 H8A_64 0.9600 . ?
C8_64 H8B_64 0.9600 . ?
C8_64 H8C_64 0.9600 . ?
S1_65 C1_65 1.801(10) . ?
C1_65 C2_65 1.393(12) . ?
C1_65 C6_65 1.398(11) . ?
C2_65 C3_65 1.399(11) . ?
C2_65 H2_65 0.9300 . ?
C3_65 C4_65 1.379(11) . ?
C3_65 C7_65 1.514(12) . ?
C4_65 C5_65 1.381(12) . ?
C4_65 H4_65 0.9300 . ?
C5_65 C6_65 1.388(12) . ?
C5_65 C8_65 1.504(12) . ?
C6_65 H6_65 0.9300 . ?
C7_65 H7A_65 0.9600 . ?
C7_65 H7B_65 0.9600 . ?
C7_65 H7C_65 0.9600 . ?
C8_65 H8A_65 0.9600 . ?
C8_65 H8B_65 0.9600 . ?
C8_65 H8C_65 0.9600 . ?
S1_66 C1_66 1.787(11) . ?
C1_66 C2_66 1.390(12) . ?
C1_66 C6_66 1.391(12) . ?
C2_66 C3_66 1.410(12) . ?
C2_66 H2_66 0.9300 . ?
C3_66 C4_66 1.366(12) . ?
C3_66 C7_66 1.505(12) . ?
C4_66 C5_66 1.364(12) . ?
C4_66 H4_66 0.9300 . ?
C5_66 C6_66 1.398(12) . ?
C5_66 C8_66 1.519(12) . ?
C6_66 H6_66 0.9300 . ?
C7_66 H7A_66 0.9600 . ?
C7_66 H7B_66 0.9600 . ?
C7_66 H7C_66 0.9600 . ?
C8_66 H8A_66 0.9600 . ?
C8_66 H8B_66 0.9600 . ?
C8_66 H8C_66 0.9600 . ?
S1_67 C1_67 1.774(11) . ?
C1_67 C2_67 1.383(12) . ?
C1_67 C6_67 1.391(12) . ?
C2_67 C3_67 1.404(12) . ?
C2_67 H2_67 0.9300 . ?
C3_67 C4_67 1.374(12) . ?
C3_67 C7_67 1.520(12) . ?
C4_67 C5_67 1.372(12) . ?
C4_67 H4_67 0.9300 . ?
C5_67 C6_67 1.408(12) . ?
C5_67 C8_67 1.529(12) . ?
C6_67 H6_67 0.9300 . ?
C7_67 H7A_67 0.9600 . ?
C7_67 H7B_67 0.9600 . ?
C7_67 H7C_67 0.9600 . ?
C8_67 H8A_67 0.9600 . ?
C8_67 H8B_67 0.9600 . ?
C8_67 H8C_67 0.9600 . ?
S1_68 C1_68 1.813(11) . ?
C1_68 C2_68 1.395(12) . ?
C1_68 C6_68 1.396(13) . ?
C2_68 C3_68 1.425(13) . ?
C2_68 H2_68 0.9300 . ?
C3_68 C4_68 1.370(13) . ?
C3_68 C7_68 1.540(13) . ?
C4_68 C5_68 1.356(13) . ?
C4_68 H4_68 0.9300 . ?
C5_68 C6_68 1.408(13) . ?
C5_68 C8_68 1.517(13) . ?
C6_68 H6_68 0.9300 . ?
C7_68 H7A_68 0.9600 . ?
C7_68 H7B_68 0.9600 . ?
C7_68 H7C_68 0.9600 . ?
C8_68 H8A_68 0.9600 . ?
C8_68 H8B_68 0.9600 . ?
C8_68 H8C_68 0.9600 . ?
S1_69 C1_69 1.784(11) . ?
C1_69 C6_69 1.382(12) . ?
C1_69 C2_69 1.382(12) . ?
C2_69 C3_69 1.390(12) . ?
C2_69 H2_69 0.9300 . ?
C3_69 C4_69 1.378(12) . ?
C3_69 C7_69 1.510(12) . ?
C4_69 C5_69 1.376(12) . ?
C4_69 H4_69 0.9300 . ?
C5_69 C6_69 1.395(12) . ?
C5_69 C8_69 1.509(13) . ?
C6_69 H6_69 0.9300 . ?
C7_69 H7A_69 0.9600 . ?
C7_69 H7B_69 0.9600 . ?
C7_69 H7C_69 0.9600 . ?
C8_69 H8A_69 0.9600 . ?
C8_69 H8B_69 0.9600 . ?
C8_69 H8C_69 0.9600 . ?
S1_70 C1_70 1.807(11) . ?
C1_70 C2_70 1.383(12) . ?
C1_70 C6_70 1.390(12) . ?
C2_70 C3_70 1.412(12) . ?
C2_70 H2_70 0.9300 . ?
C3_70 C4_70 1.376(13) . ?
C3_70 C7_70 1.525(13) . ?
C4_70 C5_70 1.362(12) . ?
C4_70 H4_70 0.9300 . ?
C5_70 C6_70 1.401(12) . ?
C5_70 C8_70 1.507(12) . ?
C6_70 H6_70 0.9300 . ?
C7_70 H7A_70 0.9600 . ?
C7_70 H7B_70 0.9600 . ?
C7_70 H7C_70 0.9600 . ?
C8_70 H8A_70 0.9600 . ?
C8_70 H8B_70 0.9600 . ?
C8_70 H8C_70 0.9600 . ?
S1_71 C1_71 1.792(11) . ?
C1_71 C2_71 1.378(12) . ?
C1_71 C6_71 1.400(12) . ?
C2_71 C3_71 1.408(13) . ?
C2_71 H2_71 0.9300 . ?
C3_71 C4_71 1.377(13) . ?
C3_71 C7_71 1.519(13) . ?
C4_71 C5_71 1.371(13) . ?
C4_71 H4_71 0.9300 . ?
C5_71 C6_71 1.394(13) . ?
C5_71 C8_71 1.508(13) . ?
C6_71 H6_71 0.9300 . ?
C7_71 H7A_71 0.9600 . ?
C7_71 H7B_71 0.9600 . ?
C7_71 H7C_71 0.9600 . ?
C8_71 H8A_71 0.9600 . ?
C8_71 H8B_71 0.9600 . ?
C8_71 H8C_71 0.9600 . ?
S1_72 C1_72 1.794(12) . ?
C1_72 C2_72 1.384(12) . ?
C1_72 C6_72 1.397(12) . ?
C2_72 C3_72 1.426(13) . ?
C2_72 H2_72 0.9300 . ?
C3_72 C4_72 1.372(13) . ?
C3_72 C7_72 1.528(13) . ?
C4_72 C5_72 1.378(13) . ?
C4_72 H4_72 0.9300 . ?
C5_72 C6_72 1.410(12) . ?
C5_72 C8_72 1.517(13) . ?
C6_72 H6_72 0.9300 . ?
C7_72 H7A_72 0.9600 . ?
C7_72 H7B_72 0.9600 . ?
C7_72 H7C_72 0.9600 . ?
C8_72 H8A_72 0.9600 . ?
C8_72 H8B_72 0.9600 . ?
C8_72 H8C_72 0.9600 . ?
S1_73 C1_73 1.797(11) . ?
C1_73 C2_73 1.384(12) . ?
C1_73 C6_73 1.410(12) . ?
C2_73 C3_73 1.405(12) . ?
C2_73 H2_73 0.9300 . ?
C3_73 C4_73 1.369(12) . ?
C3_73 C7_73 1.533(12) . ?
C4_73 C5_73 1.364(12) . ?
C4_73 H4_73 0.9300 . ?
C5_73 C6_73 1.394(12) . ?
C5_73 C8_73 1.515(12) . ?
C6_73 H6_73 0.9300 . ?
C7_73 H7A_73 0.9600 . ?
C7_73 H7B_73 0.9600 . ?
C7_73 H7C_73 0.9600 . ?
C8_73 H8A_73 0.9600 . ?
C8_73 H8B_73 0.9600 . ?
C8_73 H8C_73 0.9600 . ?
S1_74 C1_74 1.806(11) . ?
C1_74 C2_74 1.385(12) . ?
C1_74 C6_74 1.409(12) . ?
C2_74 C3_74 1.420(12) . ?
C2_74 H2_74 0.9300 . ?
C3_74 C4_74 1.371(12) . ?
C3_74 C7_74 1.525(12) . ?
C4_74 C5_74 1.373(12) . ?
C4_74 H4_74 0.9300 . ?
C5_74 C6_74 1.398(12) . ?
C5_74 C8_74 1.525(12) . ?
C6_74 H6_74 0.9300 . ?
C7_74 H7A_74 0.9600 . ?
C7_74 H7B_74 0.9600 . ?
C7_74 H7C_74 0.9600 . ?
C8_74 H8A_74 0.9600 . ?
C8_74 H8B_74 0.9600 . ?
C8_74 H8C_74 0.9600 . ?
S1_75 C1_75 1.790(11) . ?
C1_75 C2_75 1.369(12) . ?
C1_75 C6_75 1.398(12) . ?
C2_75 C3_75 1.403(12) . ?
C2_75 H2_75 0.9300 . ?
C3_75 C4_75 1.377(12) . ?
C3_75 C7_75 1.528(12) . ?
C4_75 C5_75 1.375(12) . ?
C4_75 H4_75 0.9300 . ?
C5_75 C6_75 1.412(13) . ?
C5_75 C8_75 1.518(12) . ?
C6_75 H6_75 0.9300 . ?
C7_75 H7A_75 0.9600 . ?
C7_75 H7B_75 0.9600 . ?
C7_75 H7C_75 0.9600 . ?
C8_75 H8A_75 0.9600 . ?
C8_75 H8B_75 0.9600 . ?
C8_75 H8C_75 0.9600 . ?
S1_76 C1_76 1.777(11) . ?
C1_76 C6_76 1.395(12) . ?
C1_76 C2_76 1.396(12) . ?
C2_76 C3_76 1.416(12) . ?
C2_76 H2_76 0.9300 . ?
C3_76 C4_76 1.375(12) . ?
C3_76 C7_76 1.533(12) . ?
C4_76 C5_76 1.379(12) . ?
C4_76 H4_76 0.9300 . ?
C5_76 C6_76 1.416(12) . ?
C5_76 C8_76 1.524(12) . ?
C6_76 H6_76 0.9300 . ?
C7_76 H7A_76 0.9600 . ?
C7_76 H7B_76 0.9600 . ?
C7_76 H7C_76 0.9600 . ?
C8_76 H8A_76 0.9600 . ?
C8_76 H8B_76 0.9600 . ?
C8_76 H8C_76 0.9600 . ?
S1_77 C1_77 1.767(10) . ?
C1_77 C2_77 1.387(12) . ?
C1_77 C6_77 1.394(12) . ?
C2_77 C3_77 1.422(12) . ?
C2_77 H2_77 0.9300 . ?
C3_77 C4_77 1.363(12) . ?
C3_77 C7_77 1.522(12) . ?
C4_77 C5_77 1.374(12) . ?
C4_77 H4_77 0.9300 . ?
C5_77 C6_77 1.399(12) . ?
C5_77 C8_77 1.516(12) . ?
C6_77 H6_77 0.9300 . ?
C7_77 H7A_77 0.9600 . ?
C7_77 H7B_77 0.9600 . ?
C7_77 H7C_77 0.9600 . ?
C8_77 H8A_77 0.9600 . ?
C8_77 H8B_77 0.9600 . ?
C8_77 H8C_77 0.9600 . ?
S1_78 C1_78 1.789(11) . ?
C1_78 C2_78 1.387(12) . ?
C1_78 C6_78 1.391(12) . ?
C2_78 C3_78 1.410(12) . ?
C2_78 H2_78 0.9300 . ?
C3_78 C4_78 1.372(12) . ?
C3_78 C7_78 1.518(12) . ?
C4_78 C5_78 1.372(12) . ?
C4_78 H4_78 0.9300 . ?
C5_78 C6_78 1.404(12) . ?
C5_78 C8_78 1.522(12) . ?
C6_78 H6_78 0.9300 . ?
C7_78 H7A_78 0.9600 . ?
C7_78 H7B_78 0.9600 . ?
C7_78 H7C_78 0.9600 . ?
C8_78 H8A_78 0.9600 . ?
C8_78 H8B_78 0.9600 . ?
C8_78 H8C_78 0.9600 . ?
S1_79 C1_79 1.782(11) . ?
C1_79 C2_79 1.377(12) . ?
C1_79 C6_79 1.402(12) . ?
C2_79 C3_79 1.396(12) . ?
C2_79 H2_79 0.9300 . ?
C3_79 C4_79 1.372(12) . ?
C3_79 C7_79 1.536(12) . ?
C4_79 C5_79 1.373(12) . ?
C4_79 H4_79 0.9300 . ?
C5_79 C6_79 1.400(12) . ?
C5_79 C8_79 1.511(12) . ?
C6_79 H6_79 0.9300 . ?
C7_79 H7A_79 0.9600 . ?
C7_79 H7B_79 0.9600 . ?
C7_79 H7C_79 0.9600 . ?
C8_79 H8A_79 0.9600 . ?
C8_79 H8B_79 0.9600 . ?
C8_79 H8C_79 0.9600 . ?
S1_80 C1_80 1.787(11) . ?
C1_80 C2_80 1.390(12) . ?
C1_80 C6_80 1.392(12) . ?
C2_80 C3_80 1.401(12) . ?
C2_80 H2_80 0.9300 . ?
C3_80 C4_80 1.385(12) . ?
C3_80 C7_80 1.521(13) . ?
C4_80 C5_80 1.359(12) . ?
C4_80 H4_80 0.9300 . ?
C5_80 C6_80 1.401(12) . ?
C5_80 C8_80 1.519(12) . ?
C6_80 H6_80 0.9300 . ?
C7_80 H7A_80 0.9600 . ?
C7_80 H7B_80 0.9600 . ?
C7_80 H7C_80 0.9600 . ?
C8_80 H8A_80 0.9600 . ?
C8_80 H8B_80 0.9600 . ?
C8_80 H8C_80 0.9600 . ?
S1_81 C1_81 1.781(11) . ?
C1_81 C6_81 1.384(12) . ?
C1_81 C2_81 1.385(12) . ?
C2_81 C3_81 1.411(12) . ?
C2_81 H2_81 0.9300 . ?
C3_81 C4_81 1.368(12) . ?
C3_81 C7_81 1.530(12) . ?
C4_81 C5_81 1.371(12) . ?
C4_81 H4_81 0.9300 . ?
C5_81 C6_81 1.400(12) . ?
C5_81 C8_81 1.520(12) . ?
C6_81 H6_81 0.9300 . ?
C7_81 H7A_81 0.9600 . ?
C7_81 H7B_81 0.9600 . ?
C7_81 H7C_81 0.9600 . ?
C8_81 H8A_81 0.9600 . ?
C8_81 H8B_81 0.9600 . ?
C8_81 H8C_81 0.9600 . ?
S1_82 C1_82 1.798(12) . ?
C1_82 C2_82 1.380(12) . ?
C1_82 C6_82 1.391(12) . ?
C2_82 C3_82 1.415(13) . ?
C2_82 H2_82 0.9300 . ?
C3_82 C4_82 1.370(12) . ?
C3_82 C7_82 1.514(12) . ?
C4_82 C5_82 1.383(12) . ?
C4_82 H4_82 0.9300 . ?
C5_82 C6_82 1.412(12) . ?
C5_82 C8_82 1.518(12) . ?
C6_82 H6_82 0.9300 . ?
C7_82 H7A_82 0.9600 . ?
C7_82 H7B_82 0.9600 . ?
C7_82 H7C_82 0.9600 . ?
C8_82 H8A_82 0.9600 . ?
C8_82 H8B_82 0.9600 . ?
C8_82 H8C_82 0.9600 . ?
S1A_82 C1A_82 1.800(13) . ?
C1A_82 C2A_82 1.380(14) . ?
C1A_82 C6A_82 1.392(14) . ?
C2A_82 C3A_82 1.422(15) . ?
C2A_82 H2A_82 0.9300 . ?
C3A_82 C4A_82 1.371(15) . ?
C3A_82 C7A_82 1.512(14) . ?
C4A_82 C5A_82 1.394(14) . ?
C4A_82 H4A_82 0.9300 . ?
C5A_82 C6A_82 1.420(15) . ?
C5A_82 C8A_82 1.521(14) . ?
C6A_82 H6A_82 0.9300 . ?
C7A_82 H7AA_82 0.9600 . ?
C7A_82 H7AB_82 0.9600 . ?
C7A_82 H7AC_82 0.9600 . ?
C8A_82 H8AA_82 0.9600 . ?
C8A_82 H8AB_82 0.9600 . ?
C8A_82 H8AC_82 0.9600 . ?
S1_83 C1_83 1.777(11) . ?
C1_83 C2_83 1.351(13) . ?
C1_83 C6_83 1.392(13) . ?
C2_83 C3_83 1.416(13) . ?
C2_83 H2_83 0.9300 . ?
C3_83 C4_83 1.380(13) . ?
C3_83 C7_83 1.549(13) . ?
C4_83 C5_83 1.366(13) . ?
C4_83 H4_83 0.9300 . ?
C5_83 C6_83 1.407(13) . ?
C5_83 C8_83 1.535(13) . ?
C6_83 H6_83 0.9300 . ?
C7_83 H7A_83 0.9600 . ?
C7_83 H7B_83 0.9600 . ?
C7_83 H7C_83 0.9600 . ?
C8_83 H8A_83 0.9600 . ?
C8_83 H8B_83 0.9600 . ?
C8_83 H8C_83 0.9600 . ?
S1_84 C1_84 1.775(11) . ?
C1_84 C2_84 1.371(13) . ?
C1_84 C6_84 1.411(13) . ?
C2_84 C3_84 1.415(13) . ?
C2_84 H2_84 0.9300 . ?
C3_84 C4_84 1.368(13) . ?
C3_84 C7_84 1.526(13) . ?
C4_84 C5_84 1.367(13) . ?
C4_84 H4_84 0.9300 . ?
C5_84 C6_84 1.389(13) . ?
C5_84 C8_84 1.520(13) . ?
C6_84 H6_84 0.9300 . ?
C7_84 H7A_84 0.9600 . ?
C7_84 H7B_84 0.9600 . ?
C7_84 H7C_84 0.9600 . ?
C8_84 H8A_84 0.9600 . ?
C8_84 H8B_84 0.9600 . ?
C8_84 H8C_84 0.9600 . ?
S1_85 C1_85 1.779(11) . ?
C1_85 C2_85 1.375(12) . ?
C1_85 C6_85 1.400(12) . ?
C2_85 C3_85 1.412(12) . ?
C2_85 H2_85 0.9300 . ?
C3_85 C4_85 1.383(12) . ?
C3_85 C7_85 1.530(12) . ?
C4_85 C5_85 1.372(12) . ?
C4_85 H4_85 0.9300 . ?
C5_85 C6_85 1.407(12) . ?
C5_85 C8_85 1.521(12) . ?
C6_85 H6_85 0.9300 . ?
C7_85 H7A_85 0.9600 . ?
C7_85 H7B_85 0.9600 . ?
C7_85 H7C_85 0.9600 . ?
C8_85 H8A_85 0.9600 . ?
C8_85 H8B_85 0.9600 . ?
C8_85 H8C_85 0.9600 . ?
S1_86 C1_86 1.790(12) . ?
C1_86 C6_86 1.395(13) . ?
C1_86 C2_86 1.396(12) . ?
C2_86 C3_86 1.424(13) . ?
C2_86 H2_86 0.9300 . ?
C3_86 C4_86 1.381(13) . ?
C3_86 C7_86 1.539(13) . ?
C4_86 C5_86 1.373(13) . ?
C4_86 H4_86 0.9300 . ?
C5_86 C6_86 1.398(13) . ?
C5_86 C8_86 1.516(13) . ?
C6_86 H6_86 0.9300 . ?
C7_86 H7A_86 0.9600 . ?
C7_86 H7B_86 0.9600 . ?
C7_86 H7C_86 0.9600 . ?
C8_86 H8A_86 0.9600 . ?
C8_86 H8B_86 0.9600 . ?
C8_86 H8C_86 0.9600 . ?
S1_87 C1_87 1.801(12) . ?
C1_87 C2_87 1.383(13) . ?
C1_87 C6_87 1.390(13) . ?
C2_87 C3_87 1.423(13) . ?
C2_87 H2_87 0.9300 . ?
C3_87 C4_87 1.372(13) . ?
C3_87 C7_87 1.531(13) . ?
C4_87 C5_87 1.379(13) . ?
C4_87 H4_87 0.9300 . ?
C5_87 C6_87 1.399(13) . ?
C5_87 C8_87 1.532(13) . ?
C6_87 H6_87 0.9300 . ?
C7_87 H7A_87 0.9600 . ?
C7_87 H7B_87 0.9600 . ?
C7_87 H7C_87 0.9600 . ?
C8_87 H8A_87 0.9600 . ?
C8_87 H8B_87 0.9600 . ?
C8_87 H8C_87 0.9600 . ?
S1_88 C1_88 1.754(12) . ?
C1_88 C2_88 1.380(12) . ?
C1_88 C6_88 1.417(13) . ?
C2_88 C3_88 1.410(13) . ?
C2_88 H2_88 0.9300 . ?
C3_88 C4_88 1.382(13) . ?
C3_88 C7_88 1.516(13) . ?
C4_88 C5_88 1.389(13) . ?
C4_88 H4_88 0.9300 . ?
C5_88 C6_88 1.412(13) . ?
C5_88 C8_88 1.521(13) . ?
C6_88 H6_88 0.9300 . ?
C7_88 H7A_88 0.9600 . ?
C7_88 H7B_88 0.9600 . ?
C7_88 H7C_88 0.9600 . ?
C8_88 H8A_88 0.9600 . ?
C8_88 H8B_88 0.9600 . ?
C8_88 H8C_88 0.9600 . ?
S1_89 C1_89 1.794(12) . ?
C1_89 C6_89 1.396(13) . ?
C1_89 C2_89 1.405(13) . ?
C2_89 C3_89 1.423(13) . ?
C2_89 H2_89 0.9300 . ?
C3_89 C4_89 1.379(13) . ?
C3_89 C7_89 1.509(13) . ?
C4_89 C5_89 1.379(13) . ?
C4_89 H4_89 0.9300 . ?
C5_89 C6_89 1.414(13) . ?
C5_89 C8_89 1.524(13) . ?
C6_89 H6_89 0.9300 . ?
C7_89 H7A_89 0.9600 . ?
C7_89 H7B_89 0.9600 . ?
C7_89 H7C_89 0.9600 . ?
C8_89 H8A_89 0.9600 . ?
C8_89 H8B_89 0.9600 . ?
C8_89 H8C_89 0.9600 . ?
S1_90 C1_90 1.802(11) . ?
C1_90 C2_90 1.368(12) . ?
C1_90 C6_90 1.400(12) . ?
C2_90 C3_90 1.423(12) . ?
C2_90 H2_90 0.9300 . ?
C3_90 C4_90 1.374(13) . ?
C3_90 C7_90 1.515(12) . ?
C4_90 C5_90 1.370(13) . ?
C4_90 H4_90 0.9300 . ?
C5_90 C6_90 1.407(12) . ?
C5_90 C8_90 1.521(12) . ?
C6_90 H6_90 0.9300 . ?
C7_90 H7A_90 0.9600 . ?
C7_90 H7B_90 0.9600 . ?
C7_90 H7C_90 0.9600 . ?
C8_90 H8A_90 0.9600 . ?
C8_90 H8B_90 0.9600 . ?
C8_90 H8C_90 0.9600 . ?
S1A_90 C1A_90 1.808(13) . ?
C1A_90 C2A_90 1.362(14) . ?
C1A_90 C6A_90 1.402(14) . ?
C2A_90 C3A_90 1.430(15) . ?
C2A_90 H2A_90 0.9300 . ?
C3A_90 C4A_90 1.375(15) . ?
C3A_90 C7A_90 1.510(15) . ?
C4A_90 C5A_90 1.371(15) . ?
C4A_90 H4A_90 0.9300 . ?
C5A_90 C6A_90 1.412(15) . ?
C5A_90 C8A_90 1.524(15) . ?
C6A_90 H6A_90 0.9300 . ?
C7A_90 H7AA_90 0.9600 . ?
C7A_90 H7AB_90 0.9600 . ?
C7A_90 H7AC_90 0.9600 . ?
C8A_90 H8AA_90 0.9600 . ?
C8A_90 H8AB_90 0.9600 . ?
C8A_90 H8AC_90 0.9600 . ?
S1A_91 C1A_91 1.790(10) . ?
C1A_91 C2A_91 1.387(11) . ?
C1A_91 C6A_91 1.402(11) . ?
C2A_91 C3A_91 1.413(11) . ?
C2A_91 H2A_91 0.9300 . ?
C3A_91 C4A_91 1.373(11) . ?
C3A_91 C7A_91 1.528(11) . ?
C4A_91 C5A_91 1.380(11) . ?
C4A_91 H4A_91 0.9300 . ?
C5A_91 C6A_91 1.404(11) . ?
C5A_91 C8A_91 1.519(11) . ?
C6A_91 H6A_91 0.9300 . ?
C7A_91 H7AA_91 0.9600 . ?
C7A_91 H7AB_91 0.9600 . ?
C7A_91 H7AC_91 0.9600 . ?
C8A_91 H8AA_91 0.9600 . ?
C8A_91 H8AB_91 0.9600 . ?
C8A_91 H8AC_91 0.9600 . ?
S1_91 C1_91 1.789(10) . ?
C1_91 C2_91 1.387(10) . ?
C1_91 C6_91 1.403(10) . ?
C2_91 C3_91 1.414(11) . ?
C2_91 H2_91 0.9300 . ?
C3_91 C4_91 1.374(11) . ?
C3_91 C7_91 1.530(11) . ?
C4_91 C5_91 1.384(11) . ?
C4_91 H4_91 0.9300 . ?
C5_91 C6_91 1.407(11) . ?
C5_91 C8_91 1.521(11) . ?
C6_91 H6_91 0.9300 . ?
C7_91 H7A_91 0.9600 . ?
C7_91 H7B_91 0.9600 . ?
C7_91 H7C_91 0.9600 . ?
C8_91 H8A_91 0.9600 . ?
C8_91 H8B_91 0.9600 . ?
C8_91 H8C_91 0.9600 . ?
S1_92 C1_92 1.773(13) . ?
C1_92 C2_92 1.392(13) . ?
C1_92 C6_92 1.398(13) . ?
C2_92 C3_92 1.409(13) . ?
C2_92 H2_92 0.9300 . ?
C3_92 C4_92 1.379(13) . ?
C3_92 C7_92 1.519(13) . ?
C4_92 C5_92 1.376(13) . ?
C4_92 H4_92 0.9300 . ?
C5_92 C6_92 1.411(13) . ?
C5_92 C8_92 1.519(13) . ?
C6_92 H6_92 0.9300 . ?
C7_92 H7A_92 0.9600 . ?
C7_92 H7B_92 0.9600 . ?
C7_92 H7C_92 0.9600 . ?
C8_92 H8A_92 0.9600 . ?
C8_92 H8B_92 0.9600 . ?
C8_92 H8C_92 0.9600 . ?

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
Au13 Au1 Au31 138.61(3) . . ?
Au13 Au1 Au20 160.11(3) . . ?
Au31 Au1 Au20 60.18(2) . . ?
Au13 Au1 Au5 60.03(2) . . ?
Au31 Au1 Au5 160.29(3) . . ?
Au20 Au1 Au5 102.50(3) . . ?
Au13 Au1 Au6 60.20(2) . . ?
Au31 Au1 Au6 120.75(3) . . ?
Au20 Au1 Au6 120.67(3) . . ?
Au5 Au1 Au6 57.68(2) . . ?
Au13 Au1 Au21 120.85(3) . . ?
Au31 Au1 Au21 60.12(2) . . ?
Au20 Au1 Au21 57.54(2) . . ?
Au5 Au1 Au21 120.68(3) . . ?
Au6 Au1 Au21 177.66(4) . . ?
Au13 Au1 Au15 86.44(3) . . ?
Au31 Au1 Au15 119.12(3) . . ?
Au20 Au1 Au15 75.69(3) . . ?
Au5 Au1 Au15 59.54(2) . . ?
Au6 Au1 Au15 117.13(3) . . ?
Au21 Au1 Au15 61.35(2) . . ?
Au13 Au1 Au7 119.70(3) . . ?
Au31 Au1 Au7 85.88(3) . . ?
Au20 Au1 Au7 59.14(2) . . ?
Au5 Au1 Au7 76.40(2) . . ?
Au6 Au1 Au7 61.79(2) . . ?
Au21 Au1 Au7 116.55(3) . . ?
Au15 Au1 Au7 106.25(3) . . ?
Au13 Au1 Au25 68.77(2) . . ?
Au31 Au1 Au25 69.84(3) . . ?
Au20 Au1 Au25 129.25(3) . . ?
Au5 Au1 Au25 128.24(3) . . ?
Au6 Au1 Au25 91.31(3) . . ?
Au21 Au1 Au25 91.03(3) . . ?
Au15 Au1 Au25 126.24(3) . . ?
Au7 Au1 Au25 127.51(3) . . ?
Au13 Au1 Au17 62.73(2) . . ?
Au31 Au1 Au17 101.61(3) . . ?
Au20 Au1 Au17 112.79(3) . . ?
Au5 Au1 Au17 93.74(2) . . ?
Au6 Au1 Au17 122.93(3) . . ?
Au21 Au1 Au17 58.17(2) . . ?
Au15 Au1 Au17 58.24(2) . . ?
Au7 Au1 Au17 164.49(3) . . ?
Au25 Au1 Au17 68.00(2) . . ?
Au13 Au1 Au8 102.40(3) . . ?
Au31 Au1 Au8 62.19(2) . . ?
Au20 Au1 Au8 93.12(3) . . ?
Au5 Au1 Au8 113.19(3) . . ?
Au6 Au1 Au8 58.58(2) . . ?
Au21 Au1 Au8 122.31(3) . . ?
Au15 Au1 Au8 163.89(3) . . ?
Au7 Au1 Au8 57.68(2) . . ?
Au25 Au1 Au8 69.83(2) . . ?
Au17 Au1 Au8 137.82(3) . . ?
Au32 Au2 Au38 144.33(3) . . ?
Au32 Au2 Au19 119.47(3) . . ?
Au38 Au2 Au19 84.23(3) . . ?
Au32 Au2 Au11 119.18(3) . . ?
Au38 Au2 Au11 60.70(2) . . ?
Au19 Au2 Au11 116.49(3) . . ?
Au32 Au2 Au47 61.33(2) . . ?
Au38 Au2 Au47 120.12(3) . . ?
Au19 Au2 Au47 62.30(2) . . ?
Au11 Au2 Au47 178.11(3) . . ?
Au32 Au2 Au10 83.34(3) . . ?
Au38 Au2 Au10 119.33(3) . . ?
Au19 Au2 Au10 102.67(3) . . ?
Au11 Au2 Au10 62.77(2) . . ?
Au47 Au2 Au10 115.79(3) . . ?
Au32 Au2 Au27 58.46(2) . . ?
Au38 Au2 Au27 155.94(3) . . ?
Au19 Au2 Au27 73.47(2) . . ?
Au11 Au2 Au27 121.74(3) . . ?
Au47 Au2 Au27 56.75(2) . . ?
Au10 Au2 Au27 59.14(2) . . ?
Au32 Au2 Au9 156.80(4) . . ?
Au38 Au2 Au9 57.27(2) . . ?
Au19 Au2 Au9 59.28(2) . . ?
Au11 Au2 Au9 57.24(2) . . ?
Au47 Au2 Au9 121.49(3) . . ?
Au10 Au2 Au9 74.96(3) . . ?
Au27 Au2 Au9 102.28(3) . . ?
Au32 Au2 Au58 69.79(3) . . ?
Au38 Au2 Au58 74.62(3) . . ?
Au19 Au2 Au58 127.04(3) . . ?
Au11 Au2 Au58 94.40(3) . . ?
Au47 Au2 Au58 87.48(3) . . ?
Au10 Au2 Au58 130.10(3) . . ?
Au27 Au2 Au58 126.31(3) . . ?
Au9 Au2 Au58 131.30(3) . . ?
Au32 Au2 Au26 60.80(2) . . ?
Au38 Au2 Au26 104.28(3) . . ?
Au19 Au2 Au26 163.46(4) . . ?
Au11 Au2 Au26 58.71(2) . . ?
Au47 Au2 Au26 121.97(3) . . ?
Au10 Au2 Au26 60.82(2) . . ?
Au27 Au2 Au26 95.33(3) . . ?
Au9 Au2 Au26 113.19(3) . . ?
Au58 Au2 Au26 69.37(2) . . ?
Au32 Au2 Au34 103.66(3) . . ?
Au38 Au2 Au34 62.62(3) . . ?
Au19 Au2 Au34 61.15(2) . . ?
Au11 Au2 Au34 123.10(3) . . ?
Au47 Au2 Au34 57.90(2) . . ?
Au10 Au2 Au34 163.81(3) . . ?
Au27 Au2 Au34 111.82(3) . . ?
Au9 Au2 Au34 95.43(3) . . ?
Au58 Au2 Au34 66.00(2) . . ?
Au26 Au2 Au34 135.34(3) . . ?
Au42 Au3 Au22 141.51(3) . . ?
Au42 Au3 Au18 119.88(3) . . ?
Au22 Au3 Au18 60.95(2) . . ?
Au42 Au3 Au44 60.86(2) . . ?
Au22 Au3 Au44 120.04(3) . . ?
Au18 Au3 Au44 177.71(3) . . ?
Au42 Au3 Au19 59.37(3) . . ?
Au22 Au3 Au19 157.77(3) . . ?
Au18 Au3 Au19 121.04(3) . . ?
Au44 Au3 Au19 57.17(2) . . ?
Au42 Au3 Au10 157.72(3) . . ?
Au22 Au3 Au10 59.41(2) . . ?
Au18 Au3 Au10 57.32(2) . . ?
Au44 Au3 Au10 121.07(3) . . ?
Au19 Au3 Au10 101.68(3) . . ?
Au42 Au3 Au27 118.86(3) . . ?
Au22 Au3 Au27 85.93(3) . . ?
Au18 Au3 Au27 116.94(3) . . ?
Au44 Au3 Au27 61.55(2) . . ?
Au19 Au3 Au27 73.56(3) . . ?
Au10 Au3 Au27 59.67(2) . . ?
Au42 Au3 Au9 83.84(3) . . ?
Au22 Au3 Au9 120.08(3) . . ?
Au18 Au3 Au9 61.95(2) . . ?
Au44 Au3 Au9 116.41(3) . . ?
Au19 Au3 Au9 59.42(2) . . ?
Au10 Au3 Au9 75.74(2) . . ?
Au27 Au3 Au9 104.66(3) . . ?
Au42 Au3 Au54 71.61(3) . . ?
Au22 Au3 Au54 69.91(3) . . ?
Au18 Au3 Au54 91.48(3) . . ?
Au44 Au3 Au54 90.81(3) . . ?
Au19 Au3 Au54 129.77(3) . . ?
Au10 Au3 Au54 128.53(3) . . ?
Au27 Au3 Au54 127.43(3) . . ?
Au9 Au3 Au54 127.91(3) . . ?
Au42 Au3 Au14 61.46(2) . . ?
Au22 Au3 Au14 103.30(3) . . ?
Au18 Au3 Au14 58.62(2) . . ?
Au44 Au3 Au14 122.27(3) . . ?
Au19 Au3 Au14 94.77(3) . . ?
Au10 Au3 Au14 113.01(3) . . ?
Au27 Au3 Au14 163.37(3) . . ?
Au9 Au3 Au14 58.77(2) . . ?
Au54 Au3 Au14 69.14(2) . . ?
Au42 Au3 Au30 103.72(3) . . ?
Au22 Au3 Au30 62.01(2) . . ?
Au18 Au3 Au30 122.95(3) . . ?
Au44 Au3 Au30 58.13(2) . . ?
Au19 Au3 Au30 111.98(3) . . ?
Au10 Au3 Au30 94.07(3) . . ?
Au27 Au3 Au30 59.27(2) . . ?
Au9 Au3 Au30 163.93(3) . . ?
Au54 Au3 Au30 68.16(2) . . ?
Au14 Au3 Au30 137.31(3) . . ?
Au45 Au4 Au23 141.10(4) . . ?
Au45 Au4 Au12 117.68(3) . . ?
Au23 Au4 Au12 61.75(2) . . ?
Au45 Au4 Au24 62.50(2) . . ?
Au23 Au4 Au24 118.56(3) . . ?
Au12 Au4 Au24 179.36(4) . . ?
Au45 Au4 Au20 122.68(3) . . ?
Au23 Au4 Au20 83.78(3) . . ?
Au12 Au4 Au20 115.30(3) . . ?
Au24 Au4 Au20 64.31(2) . . ?
Au45 Au4 Au5 83.56(3) . . ?
Au23 Au4 Au5 120.98(3) . . ?
Au12 Au4 Au5 62.96(2) . . ?
Au24 Au4 Au5 116.54(3) . . ?
Au20 Au4 Au5 102.39(3) . . ?
Au45 Au4 Au15 58.81(2) . . ?
Au23 Au4 Au15 158.47(3) . . ?
Au12 Au4 Au15 122.22(3) . . ?
Au24 Au4 Au15 57.27(2) . . ?
Au20 Au4 Au15 75.57(2) . . ?
Au5 Au4 Au15 59.33(2) . . ?
Au45 Au4 Au7 158.34(4) . . ?
Au23 Au4 Au7 58.15(2) . . ?
Au12 Au4 Au7 56.77(2) . . ?
Au24 Au4 Au7 122.82(3) . . ?
Au20 Au4 Au7 58.55(2) . . ?
Au5 Au4 Au7 75.45(3) . . ?
Au15 Au4 Au7 104.63(3) . . ?
Au45 Au4 Au50 70.45(3) . . ?
Au23 Au4 Au50 70.68(3) . . ?
Au12 Au4 Au50 91.18(3) . . ?
Au24 Au4 Au50 89.46(3) . . ?
Au20 Au4 Au50 128.49(3) . . ?
Au5 Au4 Au50 129.12(3) . . ?
Au15 Au4 Au50 127.64(3) . . ?
Au7 Au4 Au50 127.72(3) . . ?
Au45 Au4 Au28 104.84(3) . . ?
Au23 Au4 Au28 59.91(2) . . ?
Au12 Au4 Au28 121.52(3) . . ?
Au24 Au4 Au28 58.83(2) . . ?
Au20 Au4 Au28 61.99(2) . . ?
Au5 Au4 Au28 164.38(3) . . ?
Au15 Au4 Au28 113.45(3) . . ?
Au7 Au4 Au28 94.46(3) . . ?
Au50 Au4 Au28 66.50(2) . . ?
Au45 Au4 Au16 59.90(2) . . ?
Au23 Au4 Au16 103.13(3) . . ?
Au12 Au4 Au16 58.04(2) . . ?
Au24 Au4 Au16 122.19(3) . . ?
Au20 Au4 Au16 163.87(3) . . ?
Au5 Au4 Au16 61.52(2) . . ?
Au15 Au4 Au16 95.41(3) . . ?
Au7 Au4 Au16 112.55(3) . . ?
Au50 Au4 Au16 67.60(2) . . ?
Au28 Au4 Au16 134.08(3) . . ?
Au46 Au5 Au6 145.32(3) . . ?
Au46 Au5 Au41 61.64(2) . . ?
Au6 Au5 Au41 91.37(3) . . ?
Au46 Au5 Au13 105.49(3) . . ?
Au6 Au5 Au13 61.06(2) . . ?
Au41 Au5 Au13 109.49(3) . . ?
Au46 Au5 Au1 141.96(3) . . ?
Au6 Au5 Au1 61.63(2) . . ?
Au41 Au5 Au1 152.99(3) . . ?
Au13 Au5 Au1 58.50(2) . . ?
Au46 Au5 Au4 103.08(3) . . ?
Au6 Au5 Au4 108.26(3) . . ?
Au41 Au5 Au4 114.82(3) . . ?
Au13 Au5 Au4 134.74(3) . . ?
Au1 Au5 Au4 77.43(2) . . ?
Au46 Au5 Au15 84.83(3) . . ?
Au6 Au5 Au15 123.08(3) . . ?
Au41 Au5 Au15 145.31(3) . . ?
Au13 Au5 Au15 86.73(3) . . ?
Au1 Au5 Au15 61.54(2) . . ?
Au4 Au5 Au15 61.71(2) . . ?
Au46 Au5 Au12 110.60(3) . . ?
Au6 Au5 Au12 75.41(3) . . ?
Au41 Au5 Au12 69.50(2) . . ?
Au13 Au5 Au12 136.47(3) . . ?
Au1 Au5 Au12 101.77(3) . . ?
Au4 Au5 Au12 57.87(2) . . ?
Au15 Au5 Au12 119.51(3) . . ?
Au46 Au5 Au16 55.31(2) . . ?
Au6 Au5 Au16 128.94(3) . . ?
Au41 Au5 Au16 56.54(2) . . ?
Au13 Au5 Au16 159.26(3) . . ?
Au1 Au5 Au16 140.98(3) . . ?
Au4 Au5 Au16 63.56(2) . . ?
Au15 Au5 Au16 98.11(3) . . ?
Au12 Au5 Au16 57.35(2) . . ?
S1_23 Au6 Au5 116.27(10) . . ?
S1_23 Au6 Au13 122.53(10) . . ?
Au5 Au6 Au13 60.31(2) . . ?
S1_23 Au6 Au1 176.57(11) . . ?
Au5 Au6 Au1 60.69(2) . . ?
Au13 Au6 Au1 57.97(2) . . ?
S1_23 Au6 Au8 116.93(9) . . ?
Au5 Au6 Au8 122.27(3) . . ?
Au13 Au6 Au8 105.72(3) . . ?
Au1 Au6 Au8 65.28(2) . . ?
S1_23 Au6 Au7 118.31(11) . . ?
Au5 Au6 Au7 76.93(3) . . ?
Au13 Au6 Au7 115.95(3) . . ?
Au1 Au6 Au7 60.10(2) . . ?
Au8 Au6 Au7 59.32(2) . . ?
Au12 Au7 Au39 156.80(3) . . ?
Au12 Au7 Au33 104.28(3) . . ?
Au39 Au7 Au33 60.69(2) . . ?
Au12 Au7 Au23 61.90(3) . . ?
Au39 Au7 Au23 104.32(3) . . ?
Au33 Au7 Au23 109.05(3) . . ?
Au12 Au7 Au20 116.69(3) . . ?
Au39 Au7 Au20 77.06(2) . . ?
Au33 Au7 Au20 137.65(3) . . ?
Au23 Au7 Au20 82.82(3) . . ?
Au12 Au7 Au1 104.58(3) . . ?
Au39 Au7 Au1 98.55(3) . . ?
Au33 Au7 Au1 121.77(3) . . ?
Au23 Au7 Au1 129.13(3) . . ?
Au20 Au7 Au1 58.89(2) . . ?
Au12 Au7 Au8 132.44(3) . . ?
Au39 Au7 Au8 57.46(2) . . ?
Au33 Au7 Au8 58.37(2) . . ?
Au23 Au7 Au8 160.77(3) . . ?
Au20 Au7 Au8 97.49(3) . . ?
Au1 Au7 Au8 64.74(2) . . ?
Au12 Au7 Au6 75.03(3) . . ?
Au39 Au7 Au6 117.04(3) . . ?
Au33 Au7 Au6 82.73(3) . . ?
Au23 Au7 Au6 136.85(3) . . ?
Au20 Au7 Au6 116.75(3) . . ?
Au1 Au7 Au6 58.10(2) . . ?
Au8 Au7 Au6 59.84(2) . . ?
Au12 Au7 Au4 58.51(2) . . ?
Au39 Au7 Au4 131.94(3) . . ?
Au33 Au7 Au4 160.74(3) . . ?
Au23 Au7 Au4 56.78(2) . . ?
Au20 Au7 Au4 58.20(2) . . ?
Au1 Au7 Au4 74.08(2) . . ?
Au8 Au7 Au4 138.81(3) . . ?
Au6 Au7 Au4 99.34(3) . . ?
S1_15 Au8 Au39 159.04(10) . . ?
S1_15 Au8 Au33 136.85(11) . . ?
Au39 Au8 Au33 60.85(3) . . ?
S1_15 Au8 Au7 136.42(10) . . ?
Au39 Au8 Au7 58.26(2) . . ?
Au33 Au8 Au7 58.01(2) . . ?
S1_15 Au8 Au6 79.04(10) . . ?
Au39 Au8 Au6 118.83(3) . . ?
Au33 Au8 Au6 83.09(3) . . ?
Au7 Au8 Au6 60.84(2) . . ?
S1_15 Au8 Au31 98.56(11) . . ?
Au39 Au8 Au31 66.37(3) . . ?
Au33 Au8 Au31 124.43(3) . . ?
Au7 Au8 Au31 80.62(3) . . ?
Au6 Au8 Au31 109.06(3) . . ?
S1_15 Au8 Au48 89.62(10) . . ?
Au39 Au8 Au48 91.18(3) . . ?
Au33 Au8 Au48 64.36(2) . . ?
Au7 Au8 Au48 122.24(3) . . ?
Au6 Au8 Au48 116.92(3) . . ?
Au31 Au8 Au48 134.01(3) . . ?
S1_15 Au8 Au1 87.01(10) . . ?
Au39 Au8 Au1 94.25(3) . . ?
Au33 Au8 Au1 114.44(3) . . ?
Au7 Au8 Au1 57.58(2) . . ?
Au6 Au8 Au1 56.13(2) . . ?
Au31 Au8 Au1 52.951(19) . . ?
Au48 Au8 Au1 172.78(3) . . ?
S1_15 Au8 Au67 101.41(10) . . ?
Au39 Au8 Au67 59.92(2) . . ?
Au33 Au8 Au67 99.21(3) . . ?
Au7 Au8 Au67 117.35(3) . . ?
Au6 Au8 Au67 175.75(3) . . ?
Au31 Au8 Au67 66.68(2) . . ?
Au48 Au8 Au67 67.33(2) . . ?
Au1 Au8 Au67 119.62(3) . . ?
Au38 Au9 Au29 102.09(3) . . ?
Au38 Au9 Au11 62.12(3) . . ?
Au29 Au9 Au11 151.41(3) . . ?
Au38 Au9 Au37 106.95(3) . . ?
Au29 Au9 Au37 60.61(2) . . ?
Au11 Au9 Au37 99.42(3) . . ?
Au38 Au9 Au19 84.70(3) . . ?
Au29 Au9 Au19 81.25(3) . . ?
Au11 Au9 Au19 118.01(3) . . ?
Au37 Au9 Au19 141.51(3) . . ?
Au38 Au9 Au3 133.50(3) . . ?
Au29 Au9 Au3 101.30(3) . . ?
Au11 Au9 Au3 106.65(3) . . ?
Au37 Au9 Au3 119.53(3) . . ?
Au19 Au9 Au3 60.06(2) . . ?
Au38 Au9 Au2 58.87(2) . . ?
Au29 Au9 Au2 135.32(3) . . ?
Au11 Au9 Au2 59.49(2) . . ?
Au37 Au9 Au2 157.85(3) . . ?
Au19 Au9 Au2 58.55(2) . . ?
Au3 Au9 Au2 76.32(2) . . ?
Au38 Au9 Au18 137.33(3) . . ?
Au29 Au9 Au18 116.00(3) . . ?
Au11 Au9 Au18 75.22(3) . . ?
Au37 Au9 Au18 78.11(3) . . ?
Au19 Au9 Au18 118.15(3) . . ?
Au3 Au9 Au18 58.41(2) . . ?
Au2 Au9 Au18 100.77(3) . . ?
Au38 Au9 Au14 157.70(3) . . ?
Au29 Au9 Au14 57.28(2) . . ?
Au11 Au9 Au14 131.62(3) . . ?
Au37 Au9 Au14 57.29(2) . . ?
Au19 Au9 Au14 98.96(3) . . ?
Au3 Au9 Au14 64.69(2) . . ?
Au2 Au9 Au14 141.01(3) . . ?
Au18 Au9 Au14 59.57(2) . . ?
Au18 Au10 Au65 148.48(4) . . ?
Au18 Au10 Au74 94.99(3) . . ?
Au65 Au10 Au74 61.33(3) . . ?
Au18 Au10 Au22 61.86(2) . . ?
Au65 Au10 Au22 104.55(3) . . ?
Au74 Au10 Au22 109.73(4) . . ?
Au18 Au10 Au27 121.00(3) . . ?
Au65 Au10 Au27 83.29(3) . . ?
Au74 Au10 Au27 143.67(3) . . ?
Au22 Au10 Au27 85.65(3) . . ?
Au18 Au10 Au3 60.87(2) . . ?
Au65 Au10 Au3 139.15(3) . . ?
Au74 Au10 Au3 155.71(3) . . ?
Au22 Au10 Au3 58.37(2) . . ?
Au27 Au10 Au3 60.18(2) . . ?
Au18 Au10 Au2 107.58(3) . . ?
Au65 Au10 Au2 101.72(3) . . ?
Au74 Au10 Au2 115.47(3) . . ?
Au22 Au10 Au2 134.42(3) . . ?
Au27 Au10 Au2 61.21(2) . . ?
Au3 Au10 Au2 77.45(3) . . ?
Au18 Au10 Au11 75.16(2) . . ?
Au65 Au10 Au11 112.47(3) . . ?
Au74 Au10 Au11 72.18(3) . . ?
Au22 Au10 Au11 137.01(3) . . ?
Au27 Au10 Au11 118.94(3) . . ?
Au3 Au10 Au11 101.61(3) . . ?
Au2 Au10 Au11 57.90(2) . . ?
Au18 Au10 Au26 129.98(3) . . ?
Au65 Au10 Au26 56.06(2) . . ?
Au74 Au10 Au26 56.61(3) . . ?
Au22 Au10 Au26 159.30(3) . . ?
Au27 Au10 Au26 97.94(3) . . ?
Au3 Au10 Au26 140.39(4) . . ?
Au2 Au10 Au26 62.94(2) . . ?
Au11 Au10 Au26 58.02(2) . . ?
S1_52 Au11 Au9 112.66(10) . . ?
S1_52 Au11 Au2 174.33(12) . . ?
Au9 Au11 Au2 63.27(2) . . ?
S1_52 Au11 Au38 115.68(13) . . ?
Au9 Au11 Au38 58.71(2) . . ?
Au2 Au11 Au38 59.08(2) . . ?
S1_52 Au11 Au26 120.21(10) . . ?
Au9 Au11 Au26 124.66(3) . . ?
Au2 Au11 Au26 64.91(2) . . ?
Au38 Au11 Au26 107.71(3) . . ?
S1_52 Au11 Au10 124.52(13) . . ?
Au9 Au11 Au10 76.01(2) . . ?
Au2 Au11 Au10 59.32(2) . . ?
Au38 Au11 Au10 114.64(3) . . ?
Au26 Au11 Au10 61.80(2) . . ?
S1_52 Au11 Au74 85.62(12) . . ?
Au9 Au11 Au74 122.47(3) . . ?
Au2 Au11 Au74 99.89(3) . . ?
Au38 Au11 Au74 157.23(3) . . ?
Au26 Au11 Au74 51.21(2) . . ?
Au10 Au11 Au74 51.12(2) . . ?
S1_22 Au12 Au7 106.40(10) . . ?
S1_22 Au12 Au4 169.49(10) . . ?
Au7 Au12 Au4 64.72(2) . . ?
S1_22 Au12 Au23 113.17(11) . . ?
Au7 Au12 Au23 59.65(2) . . ?
Au4 Au12 Au23 58.07(2) . . ?
S1_22 Au12 Au16 123.79(9) . . ?
Au7 Au12 Au16 127.91(3) . . ?
Au4 Au12 Au16 66.32(2) . . ?
Au23 Au12 Au16 106.52(3) . . ?
S1_22 Au12 Au5 126.16(12) . . ?
Au7 Au12 Au5 77.23(2) . . ?
Au4 Au12 Au5 59.16(2) . . ?
Au23 Au12 Au5 114.01(3) . . ?
Au16 Au12 Au5 63.15(2) . . ?
S1_22 Au12 Au41 87.53(10) . . ?
Au7 Au12 Au41 123.33(3) . . ?
Au4 Au12 Au41 102.01(3) . . ?
Au23 Au12 Au41 158.04(3) . . ?
Au16 Au12 Au41 53.11(2) . . ?
Au5 Au12 Au41 52.48(2) . . ?
S1_3 Au13 Au1 155.17(10) . . ?
S1_3 Au13 Au5 142.39(10) . . ?
Au1 Au13 Au5 61.47(2) . . ?
S1_3 Au13 Au6 130.21(11) . . ?
Au1 Au13 Au6 61.83(2) . . ?
Au5 Au13 Au6 58.63(2) . . ?
S1_3 Au13 Au17 99.54(10) . . ?
Au1 Au13 Au17 64.65(2) . . ?
Au5 Au13 Au17 95.67(3) . . ?
Au6 Au13 Au17 126.47(3) . . ?
S1_3 Au13 Au49 92.37(11) . . ?
Au1 Au13 Au49 92.12(3) . . ?
Au5 Au13 Au49 70.34(2) . . ?
Au6 Au13 Au49 128.86(3) . . ?
Au17 Au13 Au49 52.50(2) . . ?
S1_3 Au13 Au25 96.38(10) . . ?
Au1 Au13 Au25 60.23(2) . . ?
Au5 Au13 Au25 121.22(3) . . ?
Au6 Au13 Au25 87.57(2) . . ?
Au17 Au13 Au25 65.78(2) . . ?
Au49 Au13 Au25 118.27(3) . . ?
S1_3 Au13 Au43 44.76(10) . . ?
Au1 Au13 Au43 123.53(3) . . ?
Au5 Au13 Au43 123.43(3) . . ?
Au6 Au13 Au43 174.61(3) . . ?
Au17 Au13 Au43 58.89(2) . . ?
Au49 Au13 Au43 53.85(2) . . ?
Au25 Au13 Au43 94.84(2) . . ?
S1_50 Au14 Au29 157.88(10) . . ?
S1_50 Au14 Au37 134.89(11) . . ?
Au29 Au14 Au37 61.10(3) . . ?
S1_50 Au14 Au18 83.99(10) . . ?
Au29 Au14 Au18 117.02(3) . . ?
Au37 Au14 Au18 78.78(2) . . ?
S1_50 Au14 Au9 140.32(10) . . ?
Au29 Au14 Au9 57.77(2) . . ?
Au37 Au14 Au9 58.11(2) . . ?
Au18 Au14 Au9 60.12(2) . . ?
S1_50 Au14 Au42 100.46(11) . . ?
Au29 Au14 Au42 67.37(3) . . ?
Au37 Au14 Au42 124.53(3) . . ?
Au18 Au14 Au42 109.16(3) . . ?
Au9 Au14 Au42 78.25(3) . . ?
S1_50 Au14 Au52 97.17(10) . . ?
Au29 Au14 Au52 61.58(2) . . ?
Au37 Au14 Au52 101.75(3) . . ?
Au18 Au14 Au52 177.60(3) . . ?
Au9 Au14 Au52 118.13(3) . . ?
Au42 Au14 Au52 68.58(2) . . ?
S1_50 Au14 Au36 84.05(10) . . ?
Au29 Au14 Au36 94.26(3) . . ?
Au37 Au14 Au36 63.80(2) . . ?
Au18 Au14 Au36 109.79(3) . . ?
Au9 Au14 Au36 121.91(3) . . ?
Au42 Au14 Au36 141.04(3) . . ?
Au52 Au14 Au36 72.46(2) . . ?
S1_50 Au14 Au3 90.47(10) . . ?
Au29 Au14 Au3 95.87(3) . . ?
Au37 Au14 Au3 112.51(3) . . ?
Au18 Au14 Au3 55.95(2) . . ?
Au9 Au14 Au3 56.54(2) . . ?
Au42 Au14 Au3 53.38(2) . . ?
Au52 Au14 Au3 121.86(3) . . ?
Au36 Au14 Au3 165.33(3) . . ?
Au49 Au15 Au24 155.43(3) . . ?
Au49 Au15 Au63 60.95(3) . . ?
Au24 Au15 Au63 103.36(3) . . ?
Au49 Au15 Au45 102.38(3) . . ?
Au24 Au15 Au45 62.74(3) . . ?
Au63 Au15 Au45 108.32(3) . . ?
Au49 Au15 Au5 75.83(3) . . ?
Au24 Au15 Au5 118.30(3) . . ?
Au63 Au15 Au5 136.67(3) . . ?
Au45 Au15 Au5 82.57(3) . . ?
Au49 Au15 Au1 97.82(3) . . ?
Au24 Au15 Au1 106.71(3) . . ?
Au63 Au15 Au1 121.42(3) . . ?
Au45 Au15 Au1 130.05(3) . . ?
Au5 Au15 Au1 58.92(2) . . ?
Au49 Au15 Au4 131.24(3) . . ?
Au24 Au15 Au4 59.38(2) . . ?
Au63 Au15 Au4 160.57(4) . . ?
Au45 Au15 Au4 57.32(2) . . ?
Au5 Au15 Au4 58.97(2) . . ?
Au1 Au15 Au4 75.03(2) . . ?
Au49 Au15 Au17 57.87(2) . . ?
Au24 Au15 Au17 132.50(3) . . ?
Au63 Au15 Au17 57.95(2) . . ?
Au45 Au15 Au17 159.13(3) . . ?
Au5 Au15 Au17 97.41(3) . . ?
Au1 Au15 Au17 64.59(2) . . ?
Au4 Au15 Au17 139.62(3) . . ?
Au49 Au15 Au21 117.13(3) . . ?
Au24 Au15 Au21 75.95(3) . . ?
Au63 Au15 Au21 82.50(3) . . ?
Au45 Au15 Au21 138.62(3) . . ?
Au5 Au15 Au21 117.30(3) . . ?
Au1 Au15 Au21 58.59(2) . . ?
Au4 Au15 Au21 100.18(3) . . ?
Au17 Au15 Au21 59.48(2) . . ?
S1_8 Au16 Au46 160.87(10) . . ?
S1_8 Au16 Au41 130.82(11) . . ?
Au46 Au16 Au41 61.99(3) . . ?
S1_8 Au16 Au12 85.29(10) . . ?
Au46 Au16 Au12 113.74(3) . . ?
Au41 Au16 Au12 70.40(3) . . ?
S1_8 Au16 Au45 101.81(11) . . ?
Au46 Au16 Au45 71.04(3) . . ?
Au41 Au16 Au45 126.12(3) . . ?
Au12 Au16 Au45 109.16(3) . . ?
S1_8 Au16 Au5 140.71(10) . . ?
Au46 Au16 Au5 56.43(2) . . ?
Au41 Au16 Au5 56.31(2) . . ?
Au12 Au16 Au5 59.50(2) . . ?
Au45 Au16 Au5 76.72(2) . . ?
S1_8 Au16 Au4 92.00(10) . . ?
Au46 Au16 Au4 97.26(3) . . ?
Au41 Au16 Au4 106.71(3) . . ?
Au12 Au16 Au4 55.64(2) . . ?
Au45 Au16 Au4 53.75(2) . . ?
Au5 Au16 Au4 54.92(2) . . ?
S1_8 Au16 Au51 86.73(10) . . ?
Au46 Au16 Au51 87.95(3) . . ?
Au41 Au16 Au51 65.02(2) . . ?
Au12 Au16 Au51 111.08(3) . . ?
Au45 Au16 Au51 139.39(3) . . ?
Au5 Au16 Au51 120.28(3) . . ?
Au4 Au16 Au51 166.72(3) . . ?
S1_8 Au16 Au56 102.99(10) . . ?
Au46 Au16 Au56 57.98(2) . . ?
Au41 Au16 Au56 103.60(3) . . ?
Au12 Au16 Au56 171.72(4) . . ?
Au45 Au16 Au56 69.34(2) . . ?
Au5 Au16 Au56 112.56(3) . . ?
Au4 Au16 Au56 123.00(3) . . ?
Au51 Au16 Au56 70.05(2) . . ?
S1_2 Au17 Au49 155.39(11) . . ?
S1_2 Au17 Au63 137.98(10) . . ?
Au49 Au17 Au63 60.63(3) . . ?
S1_2 Au17 Au21 84.64(11) . . ?
Au49 Au17 Au21 117.54(3) . . ?
Au63 Au17 Au21 82.72(3) . . ?
S1_2 Au17 Au15 141.56(11) . . ?
Au49 Au17 Au15 57.45(2) . . ?
Au63 Au17 Au15 57.51(2) . . ?
Au21 Au17 Au15 60.30(2) . . ?
S1_2 Au17 Au13 98.75(10) . . ?
Au49 Au17 Au13 65.26(2) . . ?
Au63 Au17 Au13 123.26(3) . . ?
Au21 Au17 Au13 109.00(3) . . ?
Au15 Au17 Au13 80.16(2) . . ?
S1_2 Au17 Au1 91.45(10) . . ?
Au49 Au17 Au1 92.61(3) . . ?
Au63 Au17 Au1 113.71(3) . . ?
Au21 Au17 Au1 56.42(2) . . ?
Au15 Au17 Au1 57.17(2) . . ?
Au13 Au17 Au1 52.62(2) . . ?
S1_2 Au17 Au55 87.56(10) . . ?
Au49 Au17 Au55 91.63(3) . . ?
Au63 Au17 Au55 62.76(2) . . ?
Au21 Au17 Au55 115.46(3) . . ?
Au15 Au17 Au55 120.20(3) . . ?
Au13 Au17 Au55 135.49(3) . . ?
Au1 Au17 Au55 171.88(3) . . ?
S1_2 Au17 Au43 97.58(11) . . ?
Au49 Au17 Au43 59.21(2) . . ?
Au63 Au17 Au43 99.47(3) . . ?
Au21 Au17 Au43 173.46(3) . . ?
Au15 Au17 Au43 115.67(3) . . ?
Au13 Au17 Au43 64.62(2) . . ?
Au1 Au17 Au43 117.24(3) . . ?
Au55 Au17 Au43 70.87(2) . . ?
S1_57 Au18 Au10 113.85(10) . . ?
S1_57 Au18 Au3 175.60(10) . . ?
Au10 Au18 Au3 61.82(2) . . ?
S1_57 Au18 Au22 121.09(11) . . ?
Au10 Au18 Au22 59.97(2) . . ?
Au3 Au18 Au22 58.10(2) . . ?
S1_57 Au18 Au14 118.32(10) . . ?
Au10 Au18 Au14 123.60(3) . . ?
Au3 Au18 Au14 65.43(2) . . ?
Au22 Au18 Au14 106.24(3) . . ?
S1_57 Au18 Au9 119.52(12) . . ?
Au10 Au18 Au9 76.65(3) . . ?
Au3 Au18 Au9 59.64(2) . . ?
Au22 Au18 Au9 115.18(3) . . ?
Au14 Au18 Au9 60.32(2) . . ?
Au60 Au19 Au44 149.17(3) . . ?
Au60 Au19 Au68 61.89(3) . . ?
Au44 Au19 Au68 95.92(3) . . ?
Au60 Au19 Au42 102.44(3) . . ?
Au44 Au19 Au42 62.01(3) . . ?
Au68 Au19 Au42 107.61(3) . . ?
Au60 Au19 Au2 99.92(3) . . ?
Au44 Au19 Au2 109.76(3) . . ?
Au68 Au19 Au2 117.70(3) . . ?
Au42 Au19 Au2 134.66(4) . . ?
Au60 Au19 Au9 79.41(3) . . ?
Au44 Au19 Au9 121.61(3) . . ?
Au68 Au19 Au9 141.02(3) . . ?
Au42 Au19 Au9 83.92(3) . . ?
Au2 Au19 Au9 62.17(2) . . ?
Au60 Au19 Au3 135.89(3) . . ?
Au44 Au19 Au3 61.29(2) . . ?
Au68 Au19 Au3 156.55(3) . . ?
Au42 Au19 Au3 58.40(2) . . ?
Au2 Au19 Au3 78.18(3) . . ?
Au9 Au19 Au3 60.52(2) . . ?
Au60 Au19 Au47 113.29(3) . . ?
Au44 Au19 Au47 76.69(3) . . ?
Au68 Au19 Au47 74.04(3) . . ?
Au42 Au19 Au47 138.68(3) . . ?
Au2 Au19 Au47 59.47(2) . . ?
Au9 Au19 Au47 121.54(3) . . ?
Au3 Au19 Au47 103.54(3) . . ?
Au60 Au19 Au34 56.37(2) . . ?
Au44 Au19 Au34 131.05(3) . . ?
Au68 Au19 Au34 56.76(2) . . ?
Au42 Au19 Au34 157.10(3) . . ?
Au2 Au19 Au34 63.88(2) . . ?
Au9 Au19 Au34 98.87(3) . . ?
Au3 Au19 Au34 142.06(3) . . ?
Au47 Au19 Au34 58.00(2) . . ?
Au40 Au20 Au21 92.01(3) . . ?
Au40 Au20 Au53 62.06(3) . . ?
Au21 Au20 Au53 146.48(3) . . ?
Au40 Au20 Au31 109.21(3) . . ?
Au21 Au20 Au31 61.08(2) . . ?
Au53 Au20 Au31 105.48(3) . . ?
Au40 Au20 Au4 114.54(3) . . ?
Au21 Au20 Au4 107.75(3) . . ?
Au53 Au20 Au4 102.59(3) . . ?
Au31 Au20 Au4 135.30(3) . . ?
Au40 Au20 Au1 153.82(3) . . ?
Au21 Au20 Au1 61.84(2) . . ?
Au53 Au20 Au1 140.68(3) . . ?
Au31 Au20 Au1 58.61(2) . . ?
Au4 Au20 Au1 77.67(3) . . ?
Au40 Au20 Au7 143.90(3) . . ?
Au21 Au20 Au7 123.67(3) . . ?
Au53 Au20 Au7 82.73(3) . . ?
Au31 Au20 Au7 86.60(3) . . ?
Au4 Au20 Au7 63.25(2) . . ?
Au1 Au20 Au7 61.98(2) . . ?
Au40 Au20 Au24 69.79(3) . . ?
Au21 Au20 Au24 75.13(3) . . ?
Au53 Au20 Au24 111.03(3) . . ?
Au31 Au20 Au24 136.20(3) . . ?
Au4 Au20 Au24 57.57(2) . . ?
Au1 Au20 Au24 102.16(3) . . ?
Au7 Au20 Au24 120.79(3) . . ?
Au40 Au20 Au28 56.48(2) . . ?
Au21 Au20 Au28 128.91(3) . . ?
Au53 Au20 Au28 55.50(2) . . ?
Au31 Au20 Au28 159.21(3) . . ?
Au4 Au20 Au28 63.24(2) . . ?
Au1 Au20 Au28 140.91(3) . . ?
Au7 Au20 Au28 98.00(3) . . ?
Au24 Au20 Au28 57.40(2) . . ?
S1_10 Au21 Au20 117.04(12) . . ?
S1_10 Au21 Au31 123.19(10) . . ?
Au20 Au21 Au31 60.53(2) . . ?
S1_10 Au21 Au1 176.85(12) . . ?
Au20 Au21 Au1 60.63(2) . . ?
Au31 Au21 Au1 58.06(2) . . ?
S1_10 Au21 Au17 115.97(11) . . ?
Au20 Au21 Au17 122.48(3) . . ?
Au31 Au21 Au17 105.43(3) . . ?
Au1 Au21 Au17 65.41(2) . . ?
S1_10 Au21 Au15 117.82(11) . . ?
Au20 Au21 Au15 76.44(2) . . ?
Au31 Au21 Au15 115.92(3) . . ?
Au1 Au21 Au15 60.06(2) . . ?
Au17 Au21 Au15 60.22(2) . . ?
S1_39 Au22 Au3 151.53(14) . . ?
S1_39 Au22 Au10 144.16(13) . . ?
Au3 Au22 Au10 62.22(2) . . ?
S1_39 Au22 Au18 134.43(12) . . ?
Au3 Au22 Au18 60.95(2) . . ?
Au10 Au22 Au18 58.18(2) . . ?
S1_39 Au22 Au30 94.81(13) . . ?
Au3 Au22 Au30 64.87(2) . . ?
Au10 Au22 Au30 97.39(3) . . ?
Au18 Au22 Au30 125.81(3) . . ?
S1_39 Au22 Au66 90.00(12) . . ?
Au3 Au22 Au66 92.20(3) . . ?
Au10 Au22 Au66 71.63(2) . . ?
Au18 Au22 Au66 129.49(3) . . ?
Au30 Au22 Au66 52.40(2) . . ?
S1_39 Au22 Au54 95.66(13) . . ?
Au3 Au22 Au54 58.50(2) . . ?
Au10 Au22 Au54 120.05(3) . . ?
Au18 Au22 Au54 85.47(2) . . ?
Au30 Au22 Au54 65.29(2) . . ?
Au66 Au22 Au54 117.69(3) . . ?
S1_27 Au23 Au4 155.96(12) . . ?
S1_27 Au23 Au7 138.69(12) . . ?
Au4 Au23 Au7 65.07(2) . . ?
S1_27 Au23 Au12 129.52(11) . . ?
Au4 Au23 Au12 60.18(2) . . ?
Au7 Au23 Au12 58.45(2) . . ?
S1_27 Au23 Au28 99.01(12) . . ?
Au4 Au23 Au28 65.99(2) . . ?
Au7 Au23 Au28 102.38(3) . . ?
Au12 Au23 Au28 126.02(3) . . ?
S1_27 Au23 Au53 91.80(11) . . ?
Au4 Au23 Au53 92.65(3) . . ?
Au7 Au23 Au53 74.94(3) . . ?
Au12 Au23 Au53 132.27(3) . . ?
Au28 Au23 Au53 51.80(2) . . ?
S1_27 Au23 Au57 44.45(11) . . ?
Au4 Au23 Au57 125.53(3) . . ?
Au7 Au23 Au57 124.64(3) . . ?
Au12 Au23 Au57 173.92(3) . . ?
Au28 Au23 Au57 59.56(2) . . ?
Au53 Au23 Au57 52.26(2) . . ?
S1_27 Au23 Au50 97.67(12) . . ?
Au4 Au23 Au50 59.37(2) . . ?
Au7 Au23 Au50 123.42(3) . . ?
Au12 Au23 Au50 84.59(2) . . ?
Au28 Au23 Au50 64.44(2) . . ?
Au53 Au23 Au50 116.24(3) . . ?
Au57 Au23 Au50 96.72(3) . . ?
S1_6 Au24 Au15 112.10(12) . . ?
S1_6 Au24 Au4 174.36(11) . . ?
Au15 Au24 Au4 63.35(2) . . ?
S1_6 Au24 Au45 117.67(10) . . ?
Au15 Au24 Au45 59.21(3) . . ?
Au4 Au24 Au45 57.49(2) . . ?
S1_6 Au24 Au28 119.97(11) . . ?
Au15 Au24 Au28 125.36(3) . . ?
Au4 Au24 Au28 65.40(2) . . ?
Au45 Au24 Au28 106.06(3) . . ?
S1_6 Au24 Au20 125.08(11) . . ?
Au15 Au24 Au20 75.43(3) . . ?
Au4 Au24 Au20 58.12(2) . . ?
Au45 Au24 Au20 112.29(3) . . ?
Au28 Au24 Au20 62.27(2) . . ?
S1_6 Au24 Au40 85.27(10) . . ?
Au15 Au24 Au40 121.18(3) . . ?
Au4 Au24 Au40 99.94(3) . . ?
Au45 Au24 Au40 155.97(3) . . ?
Au28 Au24 Au40 52.35(2) . . ?
Au20 Au24 Au40 51.32(2) . . ?
S1_15 Au25 S1_2 174.25(17) . . ?
S1_15 Au25 Au1 90.26(12) . . ?
S1_2 Au25 Au1 95.29(12) . . ?
S1_15 Au25 Au13 86.86(10) . . ?
S1_2 Au25 Au13 95.48(10) . . ?
Au1 Au25 Au13 51.00(2) . . ?
S1_15 Au25 Au31 93.15(12) . . ?
S1_2 Au25 Au31 91.51(12) . . ?
Au1 Au25 Au31 50.68(2) . . ?
Au13 Au25 Au31 101.68(3) . . ?
S1_56 Au26 Au65 159.61(10) . . ?
S1_56 Au26 Au74 133.25(11) . . ?
Au65 Au26 Au74 61.84(3) . . ?
S1_56 Au26 Au11 84.44(10) . . ?
Au65 Au26 Au11 115.38(3) . . ?
Au74 Au26 Au11 73.43(3) . . ?
S1_56 Au26 Au32 100.49(11) . . ?
Au65 Au26 Au32 69.09(3) . . ?
Au74 Au26 Au32 125.60(3) . . ?
Au11 Au26 Au32 110.40(3) . . ?
S1_56 Au26 Au10 139.98(10) . . ?
Au65 Au26 Au10 56.91(2) . . ?
Au74 Au26 Au10 57.09(2) . . ?
Au11 Au26 Au10 60.18(2) . . ?
Au32 Au26 Au10 77.51(2) . . ?
S1_56 Au26 Au2 89.70(11) . . ?
Au65 Au26 Au2 97.32(3) . . ?
Au74 Au26 Au2 109.68(3) . . ?
Au11 Au26 Au2 56.38(2) . . ?
Au32 Au26 Au2 54.31(2) . . ?
Au10 Au26 Au2 56.24(2) . . ?
S1_56 Au26 Au61 88.31(11) . . ?
Au65 Au26 Au61 88.54(3) . . ?
Au74 Au26 Au61 64.00(3) . . ?
Au11 Au26 Au61 111.65(3) . . ?
Au32 Au26 Au61 137.65(3) . . ?
Au10 Au26 Au61 120.36(3) . . ?
Au2 Au26 Au61 168.02(3) . . ?
S1_56 Au26 Au59 102.33(10) . . ?
Au65 Au26 Au59 57.91(2) . . ?
Au74 Au26 Au59 101.33(3) . . ?
Au11 Au26 Au59 173.23(4) . . ?
Au32 Au26 Au59 68.88(2) . . ?
Au10 Au26 Au59 113.48(3) . . ?
Au2 Au26 Au59 123.17(3) . . ?
Au61 Au26 Au59 68.77(2) . . ?
Au95 Au27 Au47 99.92(3) . . ?
Au95 Au27 Au66 61.28(3) . . ?
Au47 Au27 Au66 152.23(3) . . ?
Au95 Au27 Au32 107.22(3) . . ?
Au47 Au27 Au32 62.62(3) . . ?
Au66 Au27 Au32 101.54(3) . . ?
Au95 Au27 Au10 138.05(4) . . ?
Au47 Au27 Au10 120.24(3) . . ?
Au66 Au27 Au10 76.92(3) . . ?
Au32 Au27 Au10 83.33(3) . . ?
Au95 Au27 Au3 120.27(3) . . ?
Au47 Au27 Au3 108.73(3) . . ?
Au66 Au27 Au3 98.73(3) . . ?
Au32 Au27 Au3 132.42(3) . . ?
Au10 Au27 Au3 60.16(2) . . ?
Au95 Au27 Au2 158.90(4) . . ?
Au47 Au27 Au2 60.70(2) . . ?
Au66 Au27 Au2 132.53(3) . . ?
Au32 Au27 Au2 57.92(2) . . ?
Au10 Au27 Au2 59.64(2) . . ?
Au3 Au27 Au2 76.73(2) . . ?
Au95 Au27 Au44 79.27(3) . . ?
Au47 Au27 Au44 76.81(3) . . ?
Au66 Au27 Au44 115.72(3) . . ?
Au32 Au27 Au44 139.42(4) . . ?
Au10 Au27 Au44 119.10(3) . . ?
Au3 Au27 Au44 59.08(2) . . ?
Au2 Au27 Au44 102.32(3) . . ?
Au95 Au27 Au30 57.40(3) . . ?
Au47 Au27 Au30 132.47(3) . . ?
Au66 Au27 Au30 56.99(2) . . ?
Au32 Au27 Au30 157.10(3) . . ?
Au10 Au27 Au30 97.74(3) . . ?
Au3 Au27 Au30 64.65(2) . . ?
Au2 Au27 Au30 141.36(3) . . ?
Au44 Au27 Au30 59.21(2) . . ?
S1_9 Au28 Au53 159.30(12) . . ?
S1_9 Au28 Au40 130.62(11) . . ?
Au53 Au28 Au40 62.18(3) . . ?
S1_9 Au28 Au24 85.96(11) . . ?
Au53 Au28 Au24 114.72(3) . . ?
Au40 Au28 Au24 70.94(3) . . ?
S1_9 Au28 Au23 102.95(11) . . ?
Au53 Au28 Au23 70.24(3) . . ?
Au40 Au28 Au23 125.60(3) . . ?
Au24 Au28 Au23 109.70(3) . . ?
S1_9 Au28 Au20 142.75(12) . . ?
Au53 Au28 Au20 56.40(2) . . ?
Au40 Au28 Au20 55.88(2) . . ?
Au24 Au28 Au20 60.34(2) . . ?
Au23 Au28 Au20 76.80(3) . . ?
S1_9 Au28 Au4 94.30(12) . . ?
Au53 Au28 Au4 96.77(3) . . ?
Au40 Au28 Au4 106.23(3) . . ?
Au24 Au28 Au4 55.76(2) . . ?
Au23 Au28 Au4 54.09(2) . . ?
Au20 Au28 Au4 54.77(2) . . ?
S1_9 Au28 Au62 85.67(12) . . ?
Au53 Au28 Au62 87.04(3) . . ?
Au40 Au28 Au62 65.59(3) . . ?
Au24 Au28 Au62 112.41(3) . . ?
Au23 Au28 Au62 137.49(3) . . ?
Au20 Au28 Au62 120.11(3) . . ?
Au4 Au28 Au62 168.09(3) . . ?
S1_9 Au28 Au57 100.27(11) . . ?
Au53 Au28 Au57 59.03(3) . . ?
Au40 Au28 Au57 106.14(3) . . ?
Au24 Au28 Au57 173.34(3) . . ?
Au23 Au28 Au57 66.79(2) . . ?
Au20 Au28 Au57 113.02(3) . . ?
Au4 Au28 Au57 120.86(3) . . ?
Au62 Au28 Au57 70.73(3) . . ?
S1_9 Au28 Au50 43.24(11) . . ?
Au53 Au28 Au50 134.49(3) . . ?
Au40 Au28 Au50 153.07(3) . . ?
Au24 Au28 Au50 82.15(2) . . ?
Au23 Au28 Au50 64.25(2) . . ?
Au20 Au28 Au50 111.37(3) . . ?
Au4 Au28 Au50 56.60(2) . . ?
Au62 Au28 Au50 127.06(3) . . ?
Au57 Au28 Au50 100.73(3) . . ?
S1_59 Au29 Au14 165.13(11) . . ?
S1_59 Au29 Au9 124.29(11) . . ?
Au14 Au29 Au9 64.95(3) . . ?
S1_59 Au29 Au37 134.19(11) . . ?
Au14 Au29 Au37 59.59(3) . . ?
Au9 Au29 Au37 60.02(2) . . ?
S1_59 Au29 Au52 102.96(10) . . ?
Au14 Au29 Au52 64.71(3) . . ?
Au9 Au29 Au52 128.15(3) . . ?
Au37 Au29 Au52 102.88(3) . . ?
S1_59 Au29 Au60 50.73(11) . . ?
Au14 Au29 Au60 132.09(3) . . ?
Au9 Au29 Au60 75.36(3) . . ?
Au37 Au29 Au60 120.77(3) . . ?
Au52 Au29 Au60 135.93(3) . . ?
S1_59 Au29 Au42 107.99(11) . . ?
Au14 Au29 Au42 60.48(2) . . ?
Au9 Au29 Au42 78.05(2) . . ?
Au37 Au29 Au42 116.72(3) . . ?
Au52 Au29 Au42 67.23(2) . . ?
Au60 Au29 Au42 86.69(3) . . ?
S1_42 Au30 Au66 157.03(13) . . ?
S1_42 Au30 Au95 136.81(12) . . ?
Au66 Au30 Au95 61.30(3) . . ?
S1_42 Au30 Au44 84.22(13) . . ?
Au66 Au30 Au44 116.70(3) . . ?
Au95 Au30 Au44 79.32(3) . . ?
S1_42 Au30 Au27 140.12(12) . . ?
Au66 Au30 Au27 57.48(3) . . ?
Au95 Au30 Au27 56.97(2) . . ?
Au44 Au30 Au27 59.70(2) . . ?
S1_42 Au30 Au22 99.57(11) . . ?
Au66 Au30 Au22 65.73(3) . . ?
Au95 Au30 Au22 123.54(3) . . ?
Au44 Au30 Au22 109.42(3) . . ?
Au27 Au30 Au22 79.20(2) . . ?
S1_42 Au30 Au64 98.38(13) . . ?
Au66 Au30 Au64 60.43(3) . . ?
Au95 Au30 Au64 99.87(3) . . ?
Au44 Au30 Au64 176.80(3) . . ?
Au27 Au30 Au64 117.25(3) . . ?
Au22 Au30 Au64 68.39(3) . . ?
S1_42 Au30 Au3 91.01(11) . . ?
Au66 Au30 Au3 93.18(3) . . ?
Au95 Au30 Au3 111.54(3) . . ?
Au44 Au30 Au3 56.39(2) . . ?
Au27 Au30 Au3 56.08(2) . . ?
Au22 Au30 Au3 53.11(2) . . ?
Au64 Au30 Au3 121.50(3) . . ?
S1_42 Au30 Au76 88.39(10) . . ?
Au66 Au30 Au76 91.80(3) . . ?
Au95 Au30 Au76 62.32(3) . . ?
Au44 Au30 Au76 112.22(3) . . ?
Au27 Au30 Au76 119.23(3) . . ?
Au22 Au30 Au76 138.18(3) . . ?
Au64 Au30 Au76 69.84(3) . . ?
Au3 Au30 Au76 168.57(4) . . ?
S1_11 Au31 Au1 151.63(12) . . ?
S1_11 Au31 Au20 145.62(13) . . ?
Au1 Au31 Au20 61.22(2) . . ?
S1_11 Au31 Au21 132.29(12) . . ?
Au1 Au31 Au21 61.82(2) . . ?
Au20 Au31 Au21 58.39(2) . . ?
S1_11 Au31 Au8 96.52(12) . . ?
Au1 Au31 Au8 64.86(2) . . ?
Au20 Au31 Au8 95.26(3) . . ?
Au21 Au31 Au8 126.68(3) . . ?
S1_11 Au31 Au39 91.51(12) . . ?
Au1 Au31 Au39 92.64(3) . . ?
Au20 Au31 Au39 70.98(2) . . ?
Au21 Au31 Au39 129.30(3) . . ?
Au8 Au31 Au39 51.97(2) . . ?
S1_11 Au31 Au25 94.25(12) . . ?
Au1 Au31 Au25 59.48(2) . . ?
Au20 Au31 Au25 120.07(3) . . ?
Au21 Au31 Au25 86.40(3) . . ?
Au8 Au31 Au25 67.13(2) . . ?
Au39 Au31 Au25 119.09(3) . . ?
S1_11 Au31 Au67 43.56(12) . . ?
Au1 Au31 Au67 122.57(3) . . ?
Au20 Au31 Au67 123.60(3) . . ?
Au21 Au31 Au67 175.54(3) . . ?
Au8 Au31 Au67 57.73(2) . . ?
Au39 Au31 Au67 53.12(2) . . ?
Au25 Au31 Au67 95.36(3) . . ?
S1_36 Au32 Au2 155.57(11) . . ?
S1_36 Au32 Au27 139.22(11) . . ?
Au2 Au32 Au27 63.61(2) . . ?
S1_36 Au32 Au47 132.69(12) . . ?
Au2 Au32 Au47 61.17(2) . . ?
Au27 Au32 Au47 58.23(3) . . ?
S1_36 Au32 Au26 96.77(11) . . ?
Au2 Au32 Au26 64.90(2) . . ?
Au27 Au32 Au26 101.02(3) . . ?
Au47 Au32 Au26 125.90(3) . . ?
S1_36 Au32 Au65 86.89(13) . . ?
Au2 Au32 Au65 93.03(3) . . ?
Au27 Au32 Au65 76.22(3) . . ?
Au47 Au32 Au65 133.73(3) . . ?
Au26 Au32 Au65 51.83(2) . . ?
S1_36 Au32 Au58 99.53(11) . . ?
Au2 Au32 Au58 59.32(2) . . ?
Au27 Au32 Au58 121.18(3) . . ?
Au47 Au32 Au58 82.27(3) . . ?
Au26 Au32 Au58 66.97(2) . . ?
Au65 Au32 Au58 118.78(3) . . ?
S1_26 Au33 Au7 124.14(11) . . ?
S1_26 Au33 Au8 150.96(12) . . ?
Au7 Au33 Au8 63.62(2) . . ?
S1_26 Au33 Au39 150.19(12) . . ?
Au7 Au33 Au39 59.51(2) . . ?
Au8 Au33 Au39 58.82(2) . . ?
S1_26 Au33 Au48 105.47(12) . . ?
Au7 Au33 Au48 125.63(3) . . ?
Au8 Au33 Au48 62.16(2) . . ?
Au39 Au33 Au48 88.87(3) . . ?
S1_26 Au33 Cd2 51.19(12) . . ?
Au7 Au33 Cd2 114.72(3) . . ?
Au8 Au33 Cd2 99.77(4) . . ?
Au39 Au33 Cd2 158.54(4) . . ?
Au48 Au33 Cd2 78.45(3) . . ?
S1_51 Au34 Au60 159.82(11) . . ?
S1_51 Au34 Au68 130.98(11) . . ?
Au60 Au34 Au68 61.86(3) . . ?
S1_51 Au34 Au47 84.94(11) . . ?
Au60 Au34 Au47 115.01(3) . . ?
Au68 Au34 Au47 74.75(3) . . ?
S1_51 Au34 Au19 141.84(12) . . ?
Au60 Au34 Au19 56.50(2) . . ?
Au68 Au34 Au19 56.56(3) . . ?
Au47 Au34 Au19 59.62(2) . . ?
S1_51 Au34 Au72 99.91(11) . . ?
Au60 Au34 Au72 60.12(3) . . ?
Au68 Au34 Au72 102.07(3) . . ?
Au47 Au34 Au72 175.13(3) . . ?
Au19 Au34 Au72 115.58(3) . . ?
S1_51 Au34 Au38 106.63(11) . . ?
Au60 Au34 Au38 64.89(3) . . ?
Au68 Au34 Au38 122.17(3) . . ?
Au47 Au34 Au38 110.44(3) . . ?
Au19 Au34 Au38 76.36(3) . . ?
Au72 Au34 Au38 67.91(3) . . ?
S1_51 Au34 Au2 95.21(12) . . ?
Au60 Au34 Au2 93.63(3) . . ?
Au68 Au34 Au2 109.03(3) . . ?
Au47 Au34 Au2 56.97(2) . . ?
Au19 Au34 Au2 54.97(2) . . ?
Au72 Au34 Au2 121.70(3) . . ?
Au38 Au34 Au2 53.81(2) . . ?
S1_51 Au34 Au79 85.95(12) . . ?
Au60 Au34 Au79 88.95(3) . . ?
Au68 Au34 Au79 62.63(3) . . ?
Au47 Au34 Au79 112.00(3) . . ?
Au19 Au34 Au79 118.63(3) . . ?
Au72 Au34 Au79 69.03(3) . . ?
Au38 Au34 Au79 136.57(3) . . ?
Au2 Au34 Au79 168.62(3) . . ?
S1_51 Au34 Au58 44.21(12) . . ?
Au60 Au34 Au58 131.83(3) . . ?
Au68 Au34 Au58 156.32(3) . . ?
Au47 Au34 Au58 81.58(3) . . ?
Au19 Au34 Au58 111.27(3) . . ?
Au72 Au34 Au58 101.59(3) . . ?
Au38 Au34 Au58 66.94(2) . . ?
Au2 Au34 Au58 56.38(2) . . ?
Au79 Au34 Au58 128.25(3) . . ?
S1_25 Au35 S1_21 175.17(16) . . ?
S1_49 Au36 S1_58 171.70(16) . . ?
S1_49 Au36 Au14 89.21(12) . . ?
S1_58 Au36 Au14 98.37(10) . . ?
S1_49 Au36 Au37 95.43(12) . . ?
S1_58 Au36 Au37 91.90(11) . . ?
Au14 Au36 Au37 52.54(2) . . ?
S1_53 Au37 Au14 157.94(14) . . ?
S1_53 Au37 Au9 125.44(11) . . ?
Au14 Au37 Au9 64.61(2) . . ?
S1_53 Au37 Au29 142.24(14) . . ?
Au14 Au37 Au29 59.31(2) . . ?
Au9 Au37 Au29 59.37(2) . . ?
S1_53 Au37 Au36 103.46(12) . . ?
Au14 Au37 Au36 63.66(2) . . ?
Au9 Au37 Au36 128.26(3) . . ?
Au29 Au37 Au36 93.19(3) . . ?
S1_53 Au37 Cd3 52.58(14) . . ?
Au14 Au37 Cd3 105.54(4) . . ?
Au9 Au37 Cd3 119.54(3) . . ?
Au29 Au37 Cd3 164.46(4) . . ?
Au36 Au37 Cd3 75.55(3) . . ?
S1_55 Au38 Au9 153.79(11) . . ?
S1_55 Au38 Au2 140.90(11) . . ?
Au9 Au38 Au2 63.86(2) . . ?
S1_55 Au38 Au11 133.37(12) . . ?
Au9 Au38 Au11 59.17(2) . . ?
Au2 Au38 Au11 60.22(2) . . ?
S1_55 Au38 Au34 89.60(12) . . ?
Au9 Au38 Au34 99.98(3) . . ?
Au2 Au38 Au34 63.56(2) . . ?
Au11 Au38 Au34 123.57(3) . . ?
S1_55 Au38 Au60 92.99(12) . . ?
Au9 Au38 Au60 74.51(3) . . ?
Au2 Au38 Au60 91.82(3) . . ?
Au11 Au38 Au60 132.57(3) . . ?
Au34 Au38 Au60 52.27(2) . . ?
S1_55 Au38 Au72 42.65(12) . . ?
Au9 Au38 Au72 126.47(3) . . ?
Au2 Au38 Au72 119.42(3) . . ?
Au11 Au38 Au72 174.10(3) . . ?
Au34 Au38 Au72 55.88(2) . . ?
Au60 Au38 Au72 52.59(2) . . ?
S1_16 Au39 Au8 153.93(12) . . ?
S1_16 Au39 Au7 128.21(11) . . ?
Au8 Au39 Au7 64.28(2) . . ?
S1_16 Au39 Au33 144.65(12) . . ?
Au8 Au39 Au33 60.33(3) . . ?
Au7 Au39 Au33 59.79(2) . . ?
S1_16 Au39 Au67 93.68(12) . . ?
Au8 Au39 Au67 66.74(3) . . ?
Au7 Au39 Au67 129.93(3) . . ?
Au33 Au39 Au67 103.38(3) . . ?
S1_16 Au39 Au53 49.99(11) . . ?
Au8 Au39 Au53 135.01(3) . . ?
Au7 Au39 Au53 78.24(3) . . ?
Au33 Au39 Au53 120.66(3) . . ?
Au67 Au39 Au53 135.96(3) . . ?
S1_16 Au39 Au31 95.60(11) . . ?
Au8 Au39 Au31 61.66(2) . . ?
Au7 Au39 Au31 80.94(2) . . ?
Au33 Au39 Au31 119.47(3) . . ?
Au67 Au39 Au31 67.28(2) . . ?
Au53 Au39 Au31 89.73(3) . . ?
S1_12 Au40 Au20 134.47(13) . . ?
S1_12 Au40 Au28 156.97(14) . . ?
Au20 Au40 Au28 67.64(3) . . ?
S1_12 Au40 Au53 133.56(12) . . ?
Au20 Au40 Au53 59.10(3) . . ?
Au28 Au40 Au53 58.21(2) . . ?
S1_12 Au40 Cd5 56.06(13) . . ?
Au20 Au40 Cd5 131.78(4) . . ?
Au28 Au40 Cd5 106.15(4) . . ?
Au53 Au40 Cd5 158.87(5) . . ?
S1_12 Au40 Au62 96.81(13) . . ?
Au20 Au40 Au62 128.45(3) . . ?
Au28 Au40 Au62 62.46(3) . . ?
Au53 Au40 Au62 83.60(3) . . ?
Cd5 Au40 Au62 76.04(4) . . ?
S1_12 Au40 Au24 123.81(11) . . ?
Au20 Au40 Au24 58.89(2) . . ?
Au28 Au40 Au24 56.71(2) . . ?
Au53 Au40 Au24 101.30(3) . . ?
Cd5 Au40 Au24 77.47(3) . . ?
Au62 Au40 Au24 101.00(3) . . ?
S1_5 Au41 Au5 135.86(11) . . ?
S1_5 Au41 Au16 154.92(12) . . ?
Au5 Au41 Au16 67.14(3) . . ?
S1_5 Au41 Au46 136.91(11) . . ?
Au5 Au41 Au46 58.86(2) . . ?
Au16 Au41 Au46 57.93(3) . . ?
S1_5 Au41 Cd1 54.42(11) . . ?
Au5 Au41 Cd1 129.01(3) . . ?
Au16 Au41 Cd1 105.33(4) . . ?
Au46 Au41 Cd1 159.56(4) . . ?
S1_5 Au41 Au51 95.30(11) . . ?
Au5 Au41 Au51 128.83(3) . . ?
Au16 Au41 Au51 62.96(2) . . ?
Au46 Au41 Au51 84.95(3) . . ?
Cd1 Au41 Au51 76.26(3) . . ?
S1_5 Au41 Au12 121.52(10) . . ?
Au5 Au41 Au12 58.02(2) . . ?
Au16 Au41 Au12 56.48(2) . . ?
Au46 Au41 Au12 100.52(3) . . ?
Cd1 Au41 Au12 75.57(3) . . ?
Au51 Au41 Au12 100.66(3) . . ?
S1_48 Au42 Au3 153.68(13) . . ?
S1_48 Au42 Au19 142.87(13) . . ?
Au3 Au42 Au19 62.23(3) . . ?
S1_48 Au42 Au44 131.90(11) . . ?
Au3 Au42 Au44 61.32(2) . . ?
Au19 Au42 Au44 58.18(2) . . ?
S1_48 Au42 Au14 96.69(12) . . ?
Au3 Au42 Au14 65.17(2) . . ?
Au19 Au42 Au14 98.71(3) . . ?
Au44 Au42 Au14 126.43(3) . . ?
S1_48 Au42 Au29 88.87(11) . . ?
Au3 Au42 Au29 93.63(2) . . ?
Au19 Au42 Au29 74.68(2) . . ?
Au44 Au42 Au29 132.56(3) . . ?
Au14 Au42 Au29 52.15(2) . . ?
S1_48 Au42 Au54 98.31(13) . . ?
Au3 Au42 Au54 57.56(2) . . ?
Au19 Au42 Au54 118.83(3) . . ?
Au44 Au42 Au54 83.82(3) . . ?
Au14 Au42 Au54 65.55(2) . . ?
Au29 Au42 Au54 117.70(3) . . ?
S1_4 Au43 S1_3 173.56(15) . . ?
S1_4 Au43 Au49 85.17(12) . . ?
S1_3 Au43 Au49 98.51(12) . . ?
S1_4 Au43 Au17 88.59(11) . . ?
S1_3 Au43 Au17 97.85(10) . . ?
Au49 Au43 Au17 53.60(2) . . ?
S1_4 Au43 Au13 140.41(12) . . ?
S1_3 Au43 Au13 45.38(11) . . ?
Au49 Au43 Au13 60.02(2) . . ?
Au17 Au43 Au13 56.49(2) . . ?
S1_46 Au44 Au19 115.47(13) . . ?
S1_46 Au44 Au42 121.28(13) . . ?
Au19 Au44 Au42 59.81(2) . . ?
S1_46 Au44 Au3 177.00(14) . . ?
Au19 Au44 Au3 61.53(2) . . ?
Au42 Au44 Au3 57.82(2) . . ?
S1_46 Au44 Au30 117.22(14) . . ?
Au19 Au44 Au30 122.86(3) . . ?
Au42 Au44 Au30 107.00(3) . . ?
Au3 Au44 Au30 65.49(3) . . ?
S1_46 Au44 Au27 120.32(13) . . ?
Au19 Au44 Au27 74.45(2) . . ?
Au42 Au44 Au27 113.99(3) . . ?
Au3 Au44 Au27 59.38(2) . . ?
Au30 Au44 Au27 61.10(2) . . ?
S1_7 Au45 Au4 157.08(12) . . ?
S1_7 Au45 Au15 137.69(13) . . ?
Au4 Au45 Au15 63.88(2) . . ?
S1_7 Au45 Au24 132.83(12) . . ?
Au4 Au45 Au24 60.01(2) . . ?
Au15 Au45 Au24 58.05(2) . . ?
S1_7 Au45 Au16 96.54(11) . . ?
Au4 Au45 Au16 66.35(2) . . ?
Au15 Au45 Au16 102.52(3) . . ?
Au24 Au45 Au16 126.13(3) . . ?
S1_7 Au45 Au46 87.30(13) . . ?
Au4 Au45 Au46 92.65(3) . . ?
Au15 Au45 Au46 76.43(3) . . ?
Au24 Au45 Au46 133.36(3) . . ?
Au16 Au45 Au46 51.14(2) . . ?
S1_7 Au45 Au50 100.23(13) . . ?
Au4 Au45 Au50 59.57(2) . . ?
Au15 Au45 Au50 122.00(3) . . ?
Au24 Au45 Au50 82.91(3) . . ?
Au16 Au45 Au50 65.81(2) . . ?
Au46 Au45 Au50 116.95(3) . . ?
S1_18 Au46 Au16 166.82(12) . . ?
S1_18 Au46 Au5 103.06(11) . . ?
Au16 Au46 Au5 68.25(3) . . ?
S1_18 Au46 Au41 107.20(12) . . ?
Au16 Au46 Au41 60.08(3) . . ?
Au5 Au46 Au41 59.49(2) . . ?
S1_18 Au46 Au56 122.07(11) . . ?
Au16 Au46 Au56 68.65(3) . . ?
Au5 Au46 Au56 133.95(4) . . ?
Au41 Au46 Au56 109.90(3) . . ?
S1_18 Au46 Au49 50.50(11) . . ?
Au16 Au46 Au49 130.63(3) . . ?
Au5 Au46 Au49 72.08(2) . . ?
Au41 Au46 Au49 119.83(3) . . ?
Au56 Au46 Au49 129.60(3) . . ?
S1_18 Au46 Au45 131.25(12) . . ?
Au16 Au46 Au45 57.82(2) . . ?
Au5 Au46 Au45 75.69(3) . . ?
Au41 Au46 Au45 112.72(3) . . ?
Au56 Au46 Au45 68.20(3) . . ?
Au49 Au46 Au45 85.00(3) . . ?
S1_45 Au47 Au27 116.11(12) . . ?
S1_45 Au47 Au2 177.84(12) . . ?
Au27 Au47 Au2 62.55(2) . . ?
S1_45 Au47 Au32 120.44(12) . . ?
Au27 Au47 Au32 59.15(3) . . ?
Au2 Au47 Au32 57.49(2) . . ?
S1_45 Au47 Au34 116.70(12) . . ?
Au27 Au47 Au34 124.05(3) . . ?
Au2 Au47 Au34 65.13(2) . . ?
Au32 Au47 Au34 106.23(3) . . ?
S1_45 Au47 Au19 123.42(12) . . ?
Au27 Au47 Au19 74.16(3) . . ?
Au2 Au47 Au19 58.22(2) . . ?
Au32 Au47 Au19 112.13(3) . . ?
Au34 Au47 Au19 62.38(2) . . ?
S1_24 Au48 S1_14 176.85(16) . . ?
S1_24 Au48 Au8 87.85(11) . . ?
S1_14 Au48 Au8 95.22(12) . . ?
S1_24 Au48 Au33 86.79(12) . . ?
S1_14 Au48 Au33 94.48(13) . . ?
Au8 Au48 Au33 53.48(2) . . ?
S1_18 Au49 Au15 129.00(12) . . ?
S1_18 Au49 Au17 150.48(12) . . ?
Au15 Au49 Au17 64.68(3) . . ?
S1_18 Au49 Au63 148.44(12) . . ?
Au15 Au49 Au63 59.61(3) . . ?
Au17 Au49 Au63 59.78(3) . . ?
S1_18 Au49 Au43 90.25(13) . . ?
Au15 Au49 Au43 130.52(3) . . ?
Au17 Au49 Au43 67.19(3) . . ?
Au63 Au49 Au43 104.31(3) . . ?
S1_18 Au49 Au46 48.94(12) . . ?
Au15 Au49 Au46 80.31(3) . . ?
Au17 Au49 Au46 136.87(3) . . ?
Au63 Au49 Au46 122.77(4) . . ?
Au43 Au49 Au46 132.90(3) . . ?
S1_18 Au49 Au13 91.86(11) . . ?
Au15 Au49 Au13 81.81(3) . . ?
Au17 Au49 Au13 62.24(2) . . ?
Au63 Au49 Au13 119.59(3) . . ?
Au43 Au49 Au13 66.13(2) . . ?
Au46 Au49 Au13 89.64(2) . . ?
S1_9 Au50 S1_8 167.25(18) . . ?
S1_9 Au50 Au4 97.25(12) . . ?
S1_8 Au50 Au4 95.24(12) . . ?
S1_9 Au50 Au45 96.93(12) . . ?
S1_8 Au50 Au45 93.05(12) . . ?
Au4 Au50 Au45 49.99(2) . . ?
S1_9 Au50 Au23 93.55(11) . . ?
S1_8 Au50 Au23 92.51(11) . . ?
Au4 Au50 Au23 49.96(2) . . ?
Au45 Au50 Au23 99.93(3) . . ?
S1_9 Au50 Au28 46.26(11) . . ?
S1_8 Au50 Au28 142.86(11) . . ?
Au4 Au50 Au28 56.90(2) . . ?
Au45 Au50 Au28 86.45(2) . . ?
Au23 Au50 Au28 51.313(19) . . ?
S1_20 Au51 S1_19 175.48(18) . . ?
S1_20 Au51 Au16 88.62(10) . . ?
S1_19 Au51 Au16 91.88(11) . . ?
S1_20 Au51 Au41 85.33(11) . . ?
S1_19 Au51 Au41 98.52(11) . . ?
Au16 Au51 Au41 52.01(2) . . ?
S1_49 Au52 S1_48 173.94(15) . . ?
S1_49 Au52 Au29 89.42(11) . . ?
S1_48 Au52 Au29 94.85(11) . . ?
S1_49 Au52 Au14 89.96(10) . . ?
S1_48 Au52 Au14 96.02(11) . . ?
Au29 Au52 Au14 53.72(2) . . ?
S1_16 Au53 Au28 168.10(12) . . ?
S1_16 Au53 Au20 105.83(12) . . ?
Au28 Au53 Au20 68.10(3) . . ?
S1_16 Au53 Au40 108.52(12) . . ?
Au28 Au53 Au40 59.61(2) . . ?
Au20 Au53 Au40 58.84(2) . . ?
S1_16 Au53 Au57 120.81(12) . . ?
Au28 Au53 Au57 67.70(3) . . ?
Au20 Au53 Au57 132.14(3) . . ?
Au40 Au53 Au57 110.70(3) . . ?
S1_16 Au53 Au39 50.06(12) . . ?
Au28 Au53 Au39 132.82(3) . . ?
Au20 Au53 Au39 73.38(3) . . ?
Au40 Au53 Au39 119.30(3) . . ?
Au57 Au53 Au39 129.30(3) . . ?
S1_16 Au53 Au23 131.90(12) . . ?
Au28 Au53 Au23 57.95(2) . . ?
Au20 Au53 Au23 76.15(2) . . ?
Au40 Au53 Au23 112.42(3) . . ?
Au57 Au53 Au23 65.47(3) . . ?
Au39 Au53 Au23 87.49(3) . . ?
S1_42 Au54 S1_50 168.81(16) . . ?
S1_42 Au54 Au3 96.08(12) . . ?
S1_50 Au54 Au3 95.07(11) . . ?
S1_42 Au54 Au22 94.74(12) . . ?
S1_50 Au54 Au22 92.96(10) . . ?
Au3 Au54 Au22 51.60(2) . . ?
S1_42 Au54 Au42 93.40(13) . . ?
S1_50 Au54 Au42 92.86(12) . . ?
Au3 Au54 Au42 50.84(2) . . ?
Au22 Au54 Au42 102.43(3) . . ?
S1_4 Au55 S1_29 177.75(18) . . ?
S1_4 Au55 Au63 91.85(12) . . ?
S1_29 Au55 Au63 90.39(13) . . ?
S1_4 Au55 Au17 89.25(11) . . ?
S1_29 Au55 Au17 91.99(11) . . ?
Au63 Au55 Au17 52.61(2) . . ?
S1_7 Au56 S1_19 175.22(15) . . ?
S1_7 Au56 Au46 98.92(11) . . ?
S1_19 Au56 Au46 85.66(11) . . ?
S1_7 Au56 Au16 92.28(11) . . ?
S1_19 Au56 Au16 91.56(10) . . ?
Au46 Au56 Au16 53.37(2) . . ?
S1_27 Au57 S1_13 175.34(17) . . ?
S1_27 Au57 Au53 102.17(13) . . ?
S1_13 Au57 Au53 81.72(13) . . ?
S1_27 Au57 Au28 94.64(11) . . ?
S1_13 Au57 Au28 89.75(12) . . ?
Au53 Au57 Au28 53.27(2) . . ?
S1_27 Au57 Au23 45.70(12) . . ?
S1_13 Au57 Au23 138.94(13) . . ?
Au53 Au57 Au23 62.27(2) . . ?
Au28 Au57 Au23 53.65(2) . . ?
S1_51 Au58 S1_56 168.37(17) . . ?
S1_51 Au58 Au2 99.00(11) . . ?
S1_56 Au58 Au2 91.87(12) . . ?
S1_51 Au58 Au32 97.41(11) . . ?
S1_56 Au58 Au32 92.64(12) . . ?
Au2 Au58 Au32 50.88(2) . . ?
S1_51 Au58 Au34 47.19(11) . . ?
S1_56 Au58 Au34 139.75(11) . . ?
Au2 Au58 Au34 57.62(2) . . ?
Au32 Au58 Au34 87.13(2) . . ?
S1_36 Au59 S1_32 174.99(15) . . ?
S1_36 Au59 Au65 96.74(11) . . ?
S1_32 Au59 Au65 86.86(11) . . ?
S1_36 Au59 Au26 92.63(10) . . ?
S1_32 Au59 Au26 92.33(11) . . ?
Au65 Au59 Au26 53.03(2) . . ?
S1_59 Au60 Au34 173.17(13) . . ?
S1_59 Au60 Au19 118.90(12) . . ?
Au34 Au60 Au19 67.13(3) . . ?
S1_59 Au60 Au68 119.86(11) . . ?
Au34 Au60 Au68 59.45(3) . . ?
Au19 Au60 Au68 59.25(3) . . ?
S1_59 Au60 Au72 109.10(12) . . ?
Au34 Au60 Au72 65.56(3) . . ?
Au19 Au60 Au72 131.23(3) . . ?
Au68 Au60 Au72 104.19(3) . . ?
S1_59 Au60 Au29 50.00(13) . . ?
Au34 Au60 Au29 136.71(4) . . ?
Au19 Au60 Au29 77.69(3) . . ?
Au68 Au60 Au29 121.50(3) . . ?
Au72 Au60 Au29 134.30(3) . . ?
S1_59 Au60 Au38 120.10(12) . . ?
Au34 Au60 Au38 62.85(2) . . ?
Au19 Au60 Au38 79.69(3) . . ?
Au68 Au60 Au38 118.12(3) . . ?
Au72 Au60 Au38 68.98(3) . . ?
Au29 Au60 Au38 87.33(3) . . ?
S1_33 Au61 S1_32 175.62(17) . . ?
S1_33 Au61 Au74 87.13(12) . . ?
S1_32 Au61 Au74 97.18(11) . . ?
S1_33 Au61 Au26 89.61(13) . . ?
S1_32 Au61 Au26 92.51(12) . . ?
Au74 Au61 Au26 51.53(2) . . ?
S1_31 Au62 S1_13 175.02(19) . . ?
S1_31 Au62 Au28 91.35(13) . . ?
S1_13 Au62 Au28 90.63(13) . . ?
S1_31 Au62 Au40 86.39(14) . . ?
S1_13 Au62 Au40 98.42(14) . . ?
Au28 Au62 Au40 51.95(2) . . ?
S1_28 Au63 Au15 130.60(15) . . ?
S1_28 Au63 Au17 151.77(13) . . ?
Au15 Au63 Au17 64.54(3) . . ?
S1_28 Au63 Au49 146.59(12) . . ?
Au15 Au63 Au49 59.44(2) . . ?
Au17 Au63 Au49 59.59(2) . . ?
S1_28 Au63 Au55 97.01(14) . . ?
Au15 Au63 Au55 129.10(3) . . ?
Au17 Au63 Au55 64.64(3) . . ?
Au49 Au63 Au55 92.15(3) . . ?
S1_28 Au63 Cd4 52.56(12) . . ?
Au15 Au63 Cd4 115.45(4) . . ?
Au17 Au63 Cd4 100.57(4) . . ?
Au49 Au63 Cd4 160.12(4) . . ?
Au55 Au63 Cd4 76.63(4) . . ?
S1_38 Au64 S1_39 175.5(2) . . ?
S1_38 Au64 Au66 85.94(13) . . ?
S1_39 Au64 Au66 95.21(13) . . ?
S1_38 Au64 Au30 90.60(14) . . ?
S1_39 Au64 Au30 93.57(14) . . ?
Au66 Au64 Au30 53.43(2) . . ?
S1_37 Au65 Au26 163.99(19) . . ?
S1_92 Au65 Au26 159.5(4) . . ?
S1_37 Au65 Au10 104.33(17) . . ?
S1_92 Au65 Au10 118.4(3) . . ?
Au26 Au65 Au10 67.03(3) . . ?
S1_37 Au65 Au74 104.46(19) . . ?
S1_92 Au65 Au74 140.8(4) . . ?
Au26 Au65 Au74 59.65(3) . . ?
Au10 Au65 Au74 59.71(2) . . ?
S1_37 Au65 Au59 121.54(17) . . ?
S1_92 Au65 Au59 98.7(3) . . ?
Au26 Au65 Au59 69.06(3) . . ?
Au10 Au65 Au59 134.01(4) . . ?
Au74 Au65 Au59 107.58(3) . . ?
S1_37 Au65 Au66 52.80(18) . . ?
S1_92 Au65 Au66 45.4(3) . . ?
Au26 Au65 Au66 131.33(3) . . ?
Au10 Au65 Au66 73.56(3) . . ?
Au74 Au65 Au66 120.68(3) . . ?
Au59 Au65 Au66 131.46(3) . . ?
S1_37 Au65 Au32 134.03(19) . . ?
S1_92 Au65 Au32 101.7(4) . . ?
Au26 Au65 Au32 59.08(3) . . ?
Au10 Au65 Au32 77.16(3) . . ?
Au74 Au65 Au32 114.52(3) . . ?
Au59 Au65 Au32 69.11(3) . . ?
Au66 Au65 Au32 85.65(3) . . ?
S1_92 Au66 Au30 167.4(4) . . ?
S1_37 Au66 Au30 149.79(18) . . ?
S1_92 Au66 Au27 120.4(4) . . ?
S1_37 Au66 Au27 126.59(18) . . ?
Au30 Au66 Au27 65.53(3) . . ?
S1_92 Au66 Au95 112.5(4) . . ?
S1_37 Au66 Au95 150.12(17) . . ?
Au30 Au66 Au95 59.53(3) . . ?
Au27 Au66 Au95 59.05(3) . . ?
S1_92 Au66 Au64 108.8(4) . . ?
S1_37 Au66 Au64 92.78(19) . . ?
Au30 Au66 Au64 66.14(3) . . ?
Au27 Au66 Au64 130.80(3) . . ?
Au95 Au66 Au64 102.53(3) . . ?
S1_92 Au66 Au65 55.2(4) . . ?
S1_37 Au66 Au65 47.80(18) . . ?
Au30 Au66 Au65 136.77(3) . . ?
Au27 Au66 Au65 79.21(3) . . ?
Au95 Au66 Au65 121.82(4) . . ?
Au64 Au66 Au65 135.64(4) . . ?
S1_92 Au66 Au22 128.4(4) . . ?
S1_37 Au66 Au22 91.08(16) . . ?
Au30 Au66 Au22 61.87(2) . . ?
Au27 Au66 Au22 80.78(3) . . ?
Au95 Au66 Au22 118.28(3) . . ?
Au64 Au66 Au22 68.96(3) . . ?
Au65 Au66 Au22 89.43(3) . . ?
S1_14 Au67 S1_11 171.20(15) . . ?
S1_14 Au67 Au39 87.33(13) . . ?
S1_11 Au67 Au39 98.25(12) . . ?
S1_14 Au67 Au8 93.52(11) . . ?
S1_11 Au67 Au8 95.28(10) . . ?
Au39 Au67 Au8 53.33(2) . . ?
S1_14 Au67 Au31 143.59(11) . . ?
S1_11 Au67 Au31 44.42(10) . . ?
Au39 Au67 Au31 59.60(2) . . ?
Au8 Au67 Au31 55.58(2) . . ?
S1_47 Au68 Au19 132.56(15) . . ?
S1_47 Au68 Au34 157.06(15) . . ?
Au19 Au68 Au34 66.68(3) . . ?
S1_47 Au68 Au60 138.05(14) . . ?
Au19 Au68 Au60 58.86(3) . . ?
Au34 Au68 Au60 58.69(3) . . ?
S1_47 Au68 Cd7 54.48(14) . . ?
Au19 Au68 Cd7 127.02(4) . . ?
Au34 Au68 Cd7 105.40(4) . . ?
Au60 Au68 Cd7 161.30(4) . . ?
S1_47 Au68 Au79 95.46(15) . . ?
Au19 Au68 Au79 131.89(3) . . ?
Au34 Au68 Au79 65.95(3) . . ?
Au60 Au68 Au79 89.20(3) . . ?
Cd7 Au68 Au79 74.33(4) . . ?
S1_55 Au72 S1_60 175.84(19) . . ?
S1_55 Au72 Au60 99.52(13) . . ?
S1_60 Au72 Au60 84.34(14) . . ?
S1_55 Au72 Au34 90.66(11) . . ?
S1_60 Au72 Au34 92.88(14) . . ?
Au60 Au72 Au34 54.32(2) . . ?
S1_55 Au72 Au38 43.58(12) . . ?
S1_60 Au72 Au38 140.57(14) . . ?
Au60 Au72 Au38 58.42(2) . . ?
Au34 Au72 Au38 56.21(2) . . ?
S1_17 Au73 S1_30 177.43(18) . . ?
S1_35 Au74 Au26 155.54(14) . . ?
S1_35 Au74 Au10 134.37(12) . . ?
Au26 Au74 Au10 66.29(3) . . ?
S1_35 Au74 Au65 138.75(14) . . ?
Au26 Au74 Au65 58.51(3) . . ?
Au10 Au74 Au65 58.97(2) . . ?
S1_35 Au74 Cd6 53.62(15) . . ?
Au26 Au74 Cd6 105.07(5) . . ?
Au10 Au74 Cd6 127.34(4) . . ?
Au65 Au74 Cd6 160.47(5) . . ?
S1_35 Au74 Au61 95.68(12) . . ?
Au26 Au74 Au61 64.47(3) . . ?
Au10 Au74 Au61 129.86(4) . . ?
Au65 Au74 Au61 87.18(3) . . ?
Cd6 Au74 Au61 75.33(3) . . ?
S1_35 Au74 Au11 119.86(13) . . ?
Au26 Au74 Au11 55.36(2) . . ?
Au10 Au74 Au11 56.70(2) . . ?
Au65 Au74 Au11 99.82(3) . . ?
Cd6 Au74 Au11 75.40(4) . . ?
Au61 Au74 Au11 100.41(3) . . ?
S1_41 Au76 S1_38 173.39(18) . . ?
S1_41 Au76 Au95 93.18(14) . . ?
S1_38 Au76 Au95 93.20(12) . . ?
S1_41 Au76 Au30 94.68(13) . . ?
S1_38 Au76 Au30 90.56(11) . . ?
Au95 Au76 Au30 52.74(2) . . ?
S1_60 Au79 S1_44 174.4(2) . . ?
S1_60 Au79 Au68 94.36(15) . . ?
S1_44 Au79 Au68 91.18(15) . . ?
S1_60 Au79 Au34 89.12(15) . . ?
S1_44 Au79 Au34 94.71(14) . . ?
Au68 Au79 Au34 51.41(2) . . ?
S1_34 Au82 S1_54 174.4(2) . . ?
S1_34 Au82 Cd6 48.72(14) . . ?
S1_54 Au82 Cd6 134.98(11) . . ?
S1_40 Au95 Au27 130.95(15) . . ?
S1_40 Au95 Au30 153.59(15) . . ?
Au27 Au95 Au30 65.63(3) . . ?
S1_40 Au95 Au66 144.21(18) . . ?
Au27 Au95 Au66 59.68(3) . . ?
Au30 Au95 Au66 59.16(3) . . ?
S1_40 Au95 Au76 96.31(14) . . ?
Au27 Au95 Au76 130.49(4) . . ?
Au30 Au95 Au76 64.94(3) . . ?
Au66 Au95 Au76 92.16(4) . . ?
S1_40 Au95 Cd10 52.54(17) . . ?
Au27 Au95 Cd10 119.08(5) . . ?
Au30 Au95 Cd10 102.67(5) . . ?
Au66 Au95 Cd10 161.38(5) . . ?
Au76 Au95 Cd10 74.94(4) . . ?
S1_61 Au1K S1_43 175.9(2) . . ?
S1_5 Cd1 S1_22 119.17(14) . . ?
S1_5 Cd1 S1_20 112.78(15) . . ?
S1_22 Cd1 S1_20 99.20(15) . . ?
S1_5 Cd1 S1_21 115.98(16) . . ?
S1_22 Cd1 S1_21 100.90(13) . . ?
S1_20 Cd1 S1_21 106.71(15) . . ?
S1_5 Cd1 Au41 48.60(10) . . ?
S1_22 Cd1 Au41 88.47(9) . . ?
S1_20 Cd1 Au41 83.59(10) . . ?
S1_21 Cd1 Au41 164.54(13) . . ?
S1_26 Cd2 S1_23 119.20(15) . . ?
S1_26 Cd2 S1_25 116.44(15) . . ?
S1_23 Cd2 S1_25 101.92(13) . . ?
S1_26 Cd2 S1_24 113.26(15) . . ?
S1_23 Cd2 S1_24 95.74(14) . . ?
S1_25 Cd2 S1_24 107.77(16) . . ?
S1_26 Cd2 Au33 46.57(10) . . ?
S1_23 Cd2 Au33 93.64(10) . . ?
S1_25 Cd2 Au33 161.97(11) . . ?
S1_24 Cd2 Au33 79.32(11) . . ?
S1_53 Cd3 S1_57 118.99(16) . . ?
S1_53 Cd3 S1_54 112.61(16) . . ?
S1_57 Cd3 S1_54 104.52(15) . . ?
S1_53 Cd3 S1_58 117.83(15) . . ?
S1_57 Cd3 S1_58 95.21(14) . . ?
S1_54 Cd3 S1_58 105.40(17) . . ?
S1_53 Cd3 Au37 47.41(10) . . ?
S1_57 Cd3 Au37 91.06(11) . . ?
S1_54 Cd3 Au37 159.74(13) . . ?
S1_58 Cd3 Au37 85.60(12) . . ?
S1_28 Cd4 S1_10 125.00(16) . . ?
S1_28 Cd4 S1_29 109.20(18) . . ?
S1_10 Cd4 S1_29 98.27(16) . . ?
S1_28 Cd4 S1_17 117.53(17) . . ?
S1_10 Cd4 S1_17 98.19(15) . . ?
S1_29 Cd4 S1_17 105.79(17) . . ?
S1_28 Cd4 Au63 47.05(11) . . ?
S1_10 Cd4 Au63 93.05(10) . . ?
S1_29 Cd4 Au63 82.86(11) . . ?
S1_17 Cd4 Au63 164.58(13) . . ?
S1_6 Cd5 S1_31 98.46(16) . . ?
S1_6 Cd5 S1_30 105.50(15) . . ?
S1_31 Cd5 S1_30 107.86(19) . . ?
S1_6 Cd5 S1_12 119.22(16) . . ?
S1_31 Cd5 S1_12 114.56(16) . . ?
S1_30 Cd5 S1_12 110.12(17) . . ?
S1_6 Cd5 Au40 87.59(10) . . ?
S1_31 Cd5 Au40 85.25(12) . . ?
S1_30 Cd5 Au40 159.42(14) . . ?
S1_12 Cd5 Au40 49.32(10) . . ?
S1_35 Cd6 S1_52 118.81(15) . . ?
S1_35 Cd6 S1_33 113.44(18) . . ?
S1_52 Cd6 S1_33 97.55(19) . . ?
S1_35 Cd6 S1_34 117.3(2) . . ?
S1_52 Cd6 S1_34 102.86(18) . . ?
S1_33 Cd6 S1_34 104.18(19) . . ?
S1_35 Cd6 Au74 47.99(12) . . ?
S1_52 Cd6 Au74 88.28(10) . . ?
S1_33 Cd6 Au74 83.66(11) . . ?
S1_34 Cd6 Au74 165.18(19) . . ?
S1_35 Cd6 Au82 102.24(13) . . ?
S1_52 Cd6 Au82 78.52(10) . . ?
S1_33 Cd6 Au82 140.55(13) . . ?
S1_34 Cd6 Au82 41.34(13) . . ?
Au74 Cd6 Au82 134.76(5) . . ?
S1_47 Cd7 S1_44 114.64(18) . . ?
S1_47 Cd7 S1_45 120.46(18) . . ?
S1_44 Cd7 S1_45 98.55(17) . . ?
S1_47 Cd7 S1_61 109.60(18) . . ?
S1_44 Cd7 S1_61 105.6(2) . . ?
S1_45 Cd7 S1_61 106.62(18) . . ?
S1_47 Cd7 Au68 48.48(12) . . ?
S1_44 Cd7 Au68 87.26(13) . . ?
S1_45 Cd7 Au68 88.46(11) . . ?
S1_61 Cd7 Au68 158.08(15) . . ?
S1_40 Cd10 S1_46 122.42(17) . . ?
S1_40 Cd10 S1_41 111.8(2) . . ?
S1_46 Cd10 S1_41 97.20(18) . . ?
S1_40 Cd10 S1_43 110.8(2) . . ?
S1_46 Cd10 S1_43 105.3(2) . . ?
S1_41 Cd10 S1_43 107.9(2) . . ?
S1_40 Cd10 Au95 46.81(13) . . ?
S1_46 Cd10 Au95 91.08(12) . . ?
S1_41 Cd10 Au95 84.50(14) . . ?
S1_43 Cd10 Au95 157.6(2) . . ?
S1_62 Au1O S1_77 176.87(17) . . ?
S1_62 Au1O Au1G 94.80(14) . . ?
S1_77 Au1O Au1G 87.60(12) . . ?
S1_62 Au1O Au1G_1000 87.5(2) . . ?
S1_77 Au1O Au1G_1000 94.9(2) . . ?
S1_62 Au1O Au1M 98.01(14) . . ?
S1_77 Au1O Au1M 85.06(12) . . ?
Au1G Au1O Au1M 51.38(4) . . ?
S1_62 Au1O Au1M_1000 91.9(3) . . ?
S1_77 Au1O Au1M_1000 91.2(2) . . ?
Au1G_1000 Au1O Au1M_1000 50.7(2) . . ?
S1_75 Au1N S1_76 178.5(2) . . ?
S1_80 Au69 S1_71 168.2(2) . . ?
S1_80 Au69 Au71 94.04(15) . . ?
S1_71 Au69 Au71 97.69(16) . . ?
S1_80 Au69 Au83 91.73(18) . . ?
S1_71 Au69 Au83 96.14(19) . . ?
Au71 Au69 Au83 51.78(5) . . ?
S1_80 Au69 Au86 92.53(15) . . ?
S1_71 Au69 Au86 94.06(16) . . ?
Au71 Au69 Au86 51.94(4) . . ?
Au83 Au69 Au86 103.72(6) . . ?
S1_80 Au69 Au70 144.54(15) . . ?
S1_71 Au69 Au70 44.92(14) . . ?
Au71 Au69 Au70 58.68(5) . . ?
Au83 Au69 Au70 87.87(6) . . ?
Au86 Au69 Au70 53.44(4) . . ?
S1_71 Au70 Au88 157.7(2) . . ?
S1_71 Au70 Au85 132.9(2) . . ?
Au88 Au70 Au85 62.24(6) . . ?
S1_71 Au70 Au75 84.66(19) . . ?
Au88 Au70 Au75 117.17(7) . . ?
Au85 Au70 Au75 76.10(6) . . ?
S1_71 Au70 Au77 142.3(2) . . ?
Au88 Au70 Au77 57.12(6) . . ?
Au85 Au70 Au77 57.25(5) . . ?
Au75 Au70 Au77 61.18(5) . . ?
S1_71 Au70 Au86 101.6(2) . . ?
Au88 Au70 Au86 68.39(6) . . ?
Au85 Au70 Au86 125.18(6) . . ?
Au75 Au70 Au86 108.57(6) . . ?
Au77 Au70 Au86 76.99(5) . . ?
S1_71 Au70 Au90 98.72(19) . . ?
Au88 Au70 Au90 59.32(6) . . ?
Au85 Au70 Au90 102.56(7) . . ?
Au75 Au70 Au90 176.23(8) . . ?
Au77 Au70 Au90 115.10(7) . . ?
Au86 Au70 Au90 69.21(6) . . ?
S1_71 Au70 Au71 93.5(2) . . ?
Au88 Au70 Au71 95.53(6) . . ?
Au85 Au70 Au71 109.03(6) . . ?
Au75 Au70 Au71 55.40(5) . . ?
Au77 Au70 Au71 54.94(5) . . ?
Au86 Au70 Au71 53.22(5) . . ?
Au90 Au70 Au71 122.43(7) . . ?
S1_71 Au70 Au80 87.3(2) . . ?
Au88 Au70 Au80 87.69(7) . . ?
Au85 Au70 Au80 63.33(5) . . ?
Au75 Au70 Au80 113.89(7) . . ?
Au77 Au70 Au80 119.71(6) . . ?
Au86 Au70 Au80 137.25(8) . . ?
Au90 Au70 Au80 68.12(7) . . ?
Au71 Au70 Au80 169.05(8) . . ?
S1_71 Au70 Au69 45.03(19) . . ?
Au88 Au70 Au69 129.81(7) . . ?
Au85 Au70 Au69 156.24(8) . . ?
Au75 Au70 Au69 80.21(6) . . ?
Au77 Au70 Au69 108.97(6) . . ?
Au86 Au70 Au69 61.42(5) . . ?
Au90 Au70 Au69 100.97(7) . . ?
Au71 Au70 Au69 54.04(4) . . ?
Au80 Au70 Au69 130.25(6) . . ?
Au83 Au71 Au86 139.05(7) . . ?
Au83 Au71 Au99 117.66(7) . . ?
Au86 Au71 Au99 61.97(5) . . ?
Au83 Au71 Au75 61.52(5) . . ?
Au86 Au71 Au75 118.90(7) . . ?
Au99 Au71 Au75 179.07(8) . . ?
Au83 Au71 Au77 122.65(7) . . ?
Au86 Au71 Au77 83.48(6) . . ?
Au99 Au71 Au77 116.67(6) . . ?
Au75 Au71 Au77 63.97(6) . . ?
Au83 Au71 Au92 85.52(6) . . ?
Au86 Au71 Au92 120.77(7) . . ?
Au99 Au71 Au92 62.52(5) . . ?
Au75 Au71 Au92 116.78(7) . . ?
Au77 Au71 Au92 104.17(6) . . ?
Au83 Au71 Au81 60.43(5) . . ?
Au86 Au71 Au81 158.66(7) . . ?
Au99 Au71 Au81 122.25(7) . . ?
Au75 Au71 Au81 57.09(5) . . ?
Au77 Au71 Au81 76.17(6) . . ?
Au92 Au71 Au81 59.78(5) . . ?
Au83 Au71 Au98 160.52(7) . . ?
Au86 Au71 Au98 58.14(5) . . ?
Au99 Au71 Au98 57.17(5) . . ?
Au75 Au71 Au98 123.44(6) . . ?
Au77 Au71 Au98 59.56(5) . . ?
Au92 Au71 Au98 75.55(5) . . ?
Au81 Au71 Au98 104.87(6) . . ?
Au83 Au71 Au69 69.29(6) . . ?
Au86 Au71 Au69 69.77(6) . . ?
Au99 Au71 Au69 90.72(6) . . ?
Au75 Au71 Au69 89.34(6) . . ?
Au77 Au71 Au69 126.51(7) . . ?
Au92 Au71 Au69 129.32(6) . . ?
Au81 Au71 Au69 128.24(7) . . ?
Au98 Au71 Au69 126.87(7) . . ?
Au83 Au71 Au70 103.24(6) . . ?
Au86 Au71 Au70 60.81(5) . . ?
Au99 Au71 Au70 122.70(7) . . ?
Au75 Au71 Au70 58.15(5) . . ?
Au77 Au71 Au70 59.23(5) . . ?
Au92 Au71 Au70 163.40(6) . . ?
Au81 Au71 Au70 112.11(6) . . ?
Au98 Au71 Au70 94.07(6) . . ?
Au69 Au71 Au70 67.28(5) . . ?
Au83 Au71 Au78 58.78(5) . . ?
Au86 Au71 Au78 105.16(6) . . ?
Au99 Au71 Au78 58.90(5) . . ?
Au75 Au71 Au78 120.28(6) . . ?
Au77 Au71 Au78 164.02(6) . . ?
Au92 Au71 Au78 59.89(4) . . ?
Au81 Au71 Au78 93.24(6) . . ?
Au98 Au71 Au78 113.27(6) . . ?
Au69 Au71 Au78 69.46(5) . . ?
Au70 Au71 Au78 136.71(6) . . ?
S1_83 Au75 Au81 112.2(2) . . ?
S1_83 Au75 Au71 174.49(19) . . ?
Au81 Au75 Au71 62.80(6) . . ?
S1_83 Au75 Au83 122.9(2) . . ?
Au81 Au75 Au83 61.11(6) . . ?
Au71 Au75 Au83 57.67(5) . . ?
S1_83 Au75 Au70 117.2(2) . . ?
Au81 Au75 Au70 125.14(7) . . ?
Au71 Au75 Au70 66.45(6) . . ?
Au83 Au75 Au70 106.56(7) . . ?
S1_83 Au75 Au77 119.42(18) . . ?
Au81 Au75 Au77 75.94(6) . . ?
Au71 Au75 Au77 57.98(5) . . ?
Au83 Au75 Au77 113.30(7) . . ?
Au70 Au75 Au77 60.20(5) . . ?
Au88 Au77 Au84 147.32(8) . . ?
Au88 Au77 Au85 62.23(7) . . ?
Au84 Au77 Au85 94.16(7) . . ?
Au88 Au77 Au94 101.60(8) . . ?
Au84 Au77 Au94 62.05(6) . . ?
Au85 Au77 Au94 107.26(7) . . ?
Au88 Au77 Au71 103.36(7) . . ?
Au84 Au77 Au71 108.15(7) . . ?
Au85 Au77 Au71 119.33(7) . . ?
Au94 Au77 Au71 133.22(7) . . ?
Au88 Au77 Au98 81.38(7) . . ?
Au84 Au77 Au98 121.10(7) . . ?
Au85 Au77 Au98 143.29(8) . . ?
Au94 Au77 Au98 83.49(6) . . ?
Au71 Au77 Au98 62.21(5) . . ?
Au88 Au77 Au87 137.28(8) . . ?
Au84 Au77 Au87 60.88(6) . . ?
Au85 Au77 Au87 154.57(8) . . ?
Au94 Au77 Au87 58.44(5) . . ?
Au71 Au77 Au87 76.55(6) . . ?
Au98 Au77 Au87 60.45(5) . . ?
Au88 Au77 Au70 56.97(6) . . ?
Au84 Au77 Au70 130.77(8) . . ?
Au85 Au77 Au70 57.36(5) . . ?
Au94 Au77 Au70 157.01(8) . . ?
Au71 Au77 Au70 65.83(5) . . ?
Au98 Au77 Au70 99.72(6) . . ?
Au87 Au77 Au70 142.37(7) . . ?
Au88 Au77 Au75 114.52(7) . . ?
Au84 Au77 Au75 76.53(7) . . ?
Au85 Au77 Au75 74.88(6) . . ?
Au94 Au77 Au75 138.57(9) . . ?
Au71 Au77 Au75 58.05(5) . . ?
Au98 Au77 Au75 120.17(7) . . ?
Au87 Au77 Au75 101.66(7) . . ?
Au70 Au77 Au75 58.62(5) . . ?
S1_80 Au78 Au89 164.11(16) . . ?
S1_80 Au78 Au91 133.49(17) . . ?
Au89 Au78 Au91 61.59(5) . . ?
S1_80 Au78 Au83 96.20(17) . . ?
Au89 Au78 Au83 71.70(6) . . ?
Au91 Au78 Au83 127.39(6) . . ?
S1_80 Au78 Au99 79.35(14) . . ?
Au89 Au78 Au99 113.45(5) . . ?
Au91 Au78 Au99 73.92(5) . . ?
Au83 Au78 Au99 106.24(6) . . ?
S1_80 Au78 Au92 132.83(15) . . ?
Au89 Au78 Au92 56.33(5) . . ?
Au91 Au78 Au92 56.42(4) . . ?
Au83 Au78 Au92 78.55(5) . . ?
Au99 Au78 Au92 58.26(4) . . ?
S1_80 Au78 Au93 107.77(14) . . ?
Au89 Au78 Au93 59.08(5) . . ?
Au91 Au78 Au93 102.02(6) . . ?
Au83 Au78 Au93 70.86(5) . . ?
Au99 Au78 Au93 172.41(6) . . ?
Au92 Au78 Au93 114.15(6) . . ?
S1_80 Au78 Au96 94.15(16) . . ?
Au89 Au78 Au96 89.12(6) . . ?
Au91 Au78 Au96 64.41(5) . . ?
Au83 Au78 Au96 139.69(6) . . ?
Au99 Au78 Au96 113.94(6) . . ?
Au92 Au78 Au96 120.13(6) . . ?
Au93 Au78 Au96 68.87(5) . . ?
S1_80 Au78 Au71 85.38(16) . . ?
Au89 Au78 Au71 94.74(5) . . ?
Au91 Au78 Au71 107.15(5) . . ?
Au83 Au78 Au71 52.61(4) . . ?
Au99 Au78 Au71 53.65(4) . . ?
Au92 Au78 Au71 54.03(4) . . ?
Au93 Au78 Au71 123.18(6) . . ?
Au96 Au78 Au71 167.48(6) . . ?
S1A_90 Au80 S1_87 176.3(3) . . ?
S1A_90 Au80 Au85 87.6(3) . . ?
S1_87 Au80 Au85 96.09(18) . . ?
S1A_90 Au80 Au70 89.7(3) . . ?
S1_87 Au80 Au70 92.3(2) . . ?
Au85 Au80 Au70 51.86(5) . . ?
Au75 Au81 Au1A 154.86(8) . . ?
Au75 Au81 Au1B 101.48(7) . . ?
Au1A Au81 Au1B 61.58(5) . . ?
Au75 Au81 Au83 61.34(5) . . ?
Au1A Au81 Au83 106.36(7) . . ?
Au1B Au81 Au83 113.45(7) . . ?
Au75 Au81 Au92 119.07(7) . . ?
Au1A Au81 Au92 77.98(6) . . ?
Au1B Au81 Au92 138.94(7) . . ?
Au83 Au81 Au92 83.23(6) . . ?
Au75 Au81 Au71 60.12(5) . . ?
Au1A Au81 Au71 134.25(7) . . ?
Au1B Au81 Au71 161.36(7) . . ?
Au83 Au81 Au71 56.92(5) . . ?
Au92 Au81 Au71 59.05(5) . . ?
Au75 Au81 Au87 107.01(7) . . ?
Au1A Au81 Au87 97.58(6) . . ?
Au1B Au81 Au87 116.75(6) . . ?
Au83 Au81 Au87 129.80(7) . . ?
Au92 Au81 Au87 59.25(5) . . ?
Au71 Au81 Au87 74.66(5) . . ?
Au75 Au81 Au84 76.56(6) . . ?
Au1A Au81 Au84 113.93(6) . . ?
Au1B Au81 Au84 77.00(6) . . ?
Au83 Au81 Au84 137.72(7) . . ?
Au92 Au81 Au84 116.58(6) . . ?
Au71 Au81 Au84 99.72(6) . . ?
Au87 Au81 Au84 57.49(5) . . ?
Au75 Au81 Au97 132.41(7) . . ?
Au1A Au81 Au97 56.15(5) . . ?
Au1B Au81 Au97 56.75(5) . . ?
Au83 Au81 Au97 162.04(8) . . ?
Au92 Au81 Au97 95.75(6) . . ?
Au71 Au81 Au97 136.97(6) . . ?
Au87 Au81 Au97 62.32(5) . . ?
Au84 Au81 Au97 58.34(5) . . ?
S1_72 Au83 Au71 160.84(19) . . ?
S1_72 Au83 Au81 133.68(19) . . ?
Au71 Au83 Au81 62.65(5) . . ?
S1_72 Au83 Au75 133.4(2) . . ?
Au71 Au83 Au75 60.82(5) . . ?
Au81 Au83 Au75 57.56(5) . . ?
S1_72 Au83 Au78 95.73(19) . . ?
Au71 Au83 Au78 68.62(5) . . ?
Au81 Au83 Au78 100.36(6) . . ?
Au75 Au83 Au78 129.43(7) . . ?
S1_72 Au83 Au69 105.99(18) . . ?
Au71 Au83 Au69 58.93(5) . . ?
Au81 Au83 Au69 120.33(6) . . ?
Au75 Au83 Au69 83.76(6) . . ?
Au78 Au83 Au69 69.20(5) . . ?
S1_72 Au83 Au89 86.0(2) . . ?
Au71 Au83 Au89 91.85(5) . . ?
Au81 Au83 Au89 71.84(5) . . ?
Au75 Au83 Au89 128.98(6) . . ?
Au78 Au83 Au89 50.96(4) . . ?
Au69 Au83 Au89 119.97(6) . . ?
S1_63 Au84 Au77 115.07(18) . . ?
S1_63 Au84 Au87 176.63(19) . . ?
Au77 Au84 Au87 61.75(6) . . ?
S1_63 Au84 Au94 119.76(16) . . ?
Au77 Au84 Au94 59.84(6) . . ?
Au87 Au84 Au94 58.05(6) . . ?
S1_63 Au84 Au97 119.20(18) . . ?
Au77 Au84 Au97 122.51(7) . . ?
Au87 Au84 Au97 64.17(6) . . ?
Au94 Au84 Au97 105.08(7) . . ?
S1_63 Au84 Au81 121.27(15) . . ?
Au77 Au84 Au81 75.95(6) . . ?
Au87 Au84 Au81 59.82(5) . . ?
Au94 Au84 Au81 115.02(7) . . ?
Au97 Au84 Au81 61.04(5) . . ?
S1_86 Au85 Au77 135.3(2) . . ?
S1_86 Au85 Au70 155.3(2) . . ?
Au77 Au85 Au70 65.39(6) . . ?
S1_86 Au85 Au88 139.1(2) . . ?
Au77 Au85 Au88 58.62(6) . . ?
Au70 Au85 Au88 58.47(6) . . ?
S1_86 Au85 Au80 95.49(19) . . ?
Au77 Au85 Au80 129.14(7) . . ?
Au70 Au85 Au80 64.81(6) . . ?
Au88 Au85 Au80 86.68(7) . . ?
S1_86 Au85 Cd8 55.8(2) . . ?
Au77 Au85 Cd8 125.18(11) . . ?
Au70 Au85 Cd8 102.87(8) . . ?
Au88 Au85 Cd8 159.19(9) . . ?
Au80 Au85 Cd8 76.07(9) . . ?
S1_88 Au86 Au71 146.9(2) . . ?
S1_88 Au86 Au98 146.12(19) . . ?
Au71 Au86 Au98 64.16(5) . . ?
S1_88 Au86 Au99 137.5(2) . . ?
Au71 Au86 Au99 59.62(5) . . ?
Au98 Au86 Au99 58.33(5) . . ?
S1_88 Au86 Au70 89.4(2) . . ?
Au71 Au86 Au70 65.97(5) . . ?
Au98 Au86 Au70 100.76(6) . . ?
Au99 Au86 Au70 125.50(7) . . ?
S1_88 Au86 Au88 87.6(2) . . ?
Au71 Au86 Au88 92.97(6) . . ?
Au98 Au86 Au88 74.38(6) . . ?
Au99 Au86 Au88 131.76(6) . . ?
Au70 Au86 Au88 51.60(5) . . ?
S1_88 Au86 Au69 92.14(18) . . ?
Au71 Au86 Au69 58.29(5) . . ?
Au98 Au86 Au69 121.51(7) . . ?
Au99 Au86 Au69 83.65(6) . . ?
Au70 Au86 Au69 65.14(5) . . ?
Au88 Au86 Au69 116.74(7) . . ?
Au94 Au87 Au1D 140.29(7) . . ?
Au94 Au87 Au1E 118.60(7) . . ?
Au1D Au87 Au1E 60.22(5) . . ?
Au94 Au87 Au84 61.12(6) . . ?
Au1D Au87 Au84 120.54(7) . . ?
Au1E Au87 Au84 179.16(8) . . ?
Au94 Au87 Au92 158.38(8) . . ?
Au1D Au87 Au92 59.43(5) . . ?
Au1E Au87 Au92 57.93(5) . . ?
Au84 Au87 Au92 121.99(7) . . ?
Au94 Au87 Au77 59.40(5) . . ?
Au1D Au87 Au77 159.24(7) . . ?
Au1E Au87 Au77 121.80(7) . . ?
Au84 Au87 Au77 57.36(6) . . ?
Au92 Au87 Au77 102.79(6) . . ?
Au94 Au87 Au98 83.63(6) . . ?
Au1D Au87 Au98 119.72(7) . . ?
Au1E Au87 Au98 62.24(5) . . ?
Au84 Au87 Au98 116.93(7) . . ?
Au92 Au87 Au98 76.20(6) . . ?
Au77 Au87 Au98 59.78(6) . . ?
Au94 Au87 Au81 120.61(7) . . ?
Au1D Au87 Au81 85.57(6) . . ?
Au1E Au87 Au81 117.29(7) . . ?
Au84 Au87 Au81 62.69(5) . . ?
Au92 Au87 Au81 59.48(5) . . ?
Au77 Au87 Au81 75.39(6) . . ?
Au98 Au87 Au81 106.00(6) . . ?
Au94 Au87 Au1I 69.61(6) . . ?
Au1D Au87 Au1I 70.68(6) . . ?
Au1E Au87 Au1I 89.08(7) . . ?
Au84 Au87 Au1I 91.53(7) . . ?
Au92 Au87 Au1I 128.91(7) . . ?
Au77 Au87 Au1I 128.26(7) . . ?
Au98 Au87 Au1I 124.64(7) . . ?
Au81 Au87 Au1I 129.36(7) . . ?
Au94 Au87 Au97 103.68(7) . . ?
Au1D Au87 Au97 61.43(5) . . ?
Au1E Au87 Au97 121.55(7) . . ?
Au84 Au87 Au97 59.23(5) . . ?
Au92 Au87 Au97 94.64(6) . . ?
Au77 Au87 Au97 113.75(7) . . ?
Au98 Au87 Au97 166.31(7) . . ?
Au81 Au87 Au97 60.33(5) . . ?
Au1I Au87 Au97 69.03(6) . . ?
Au94 Au87 Au1G 60.83(6) . . ?
Au1D Au87 Au1G 102.59(7) . . ?
Au1E Au87 Au1G 57.85(5) . . ?
Au84 Au87 Au1G 121.91(7) . . ?
Au92 Au87 Au1G 112.62(6) . . ?
Au77 Au87 Au1G 94.07(6) . . ?
Au98 Au87 Au1G 57.89(5) . . ?
Au81 Au87 Au1G 163.88(7) . . ?
Au1I Au87 Au1G 66.76(6) . . ?
Au97 Au87 Au1G 135.79(7) . . ?
S1_89 Au88 Au70 174.8(2) . . ?
S1_89 Au88 Au77 117.3(2) . . ?
Au70 Au88 Au77 65.91(6) . . ?
S1_89 Au88 Au85 118.1(2) . . ?
Au70 Au88 Au85 59.28(6) . . ?
Au77 Au88 Au85 59.15(6) . . ?
S1_89 Au88 Au90 110.8(2) . . ?
Au70 Au88 Au90 66.90(7) . . ?
Au77 Au88 Au90 130.92(9) . . ?
Au85 Au88 Au90 105.80(9) . . ?
S1_89 Au88 Au1F 50.7(2) . . ?
Au70 Au88 Au1F 134.44(9) . . ?
Au77 Au88 Au1F 77.56(7) . . ?
Au85 Au88 Au1F 122.43(8) . . ?
Au90 Au88 Au1F 131.62(10) . . ?
S1_89 Au88 Au86 124.1(2) . . ?
Au70 Au88 Au86 60.01(6) . . ?
Au77 Au88 Au86 76.74(7) . . ?
Au85 Au88 Au86 114.92(8) . . ?
Au90 Au88 Au86 68.75(6) . . ?
Au1F Au88 Au86 86.53(7) . . ?
S1_84 Au89 Au78 170.60(15) . . ?
S1_84 Au89 Au92 120.43(14) . . ?
Au78 Au89 Au92 67.72(5) . . ?
S1_84 Au89 Au91 127.42(17) . . ?
Au78 Au89 Au91 59.79(5) . . ?
Au92 Au89 Au91 59.54(5) . . ?
S1_84 Au89 Au93 103.81(14) . . ?
Au78 Au89 Au93 67.10(5) . . ?
Au92 Au89 Au93 132.93(7) . . ?
Au91 Au89 Au93 106.36(6) . . ?
S1_84 Au89 Au1A 50.07(15) . . ?
Au78 Au89 Au1A 134.15(7) . . ?
Au92 Au89 Au1A 75.18(5) . . ?
Au91 Au89 Au1A 120.86(6) . . ?
Au93 Au89 Au1A 132.65(7) . . ?
S1_84 Au89 Au83 118.05(17) . . ?
Au78 Au89 Au83 57.33(5) . . ?
Au92 Au89 Au83 76.78(5) . . ?
Au91 Au89 Au83 112.79(6) . . ?
Au93 Au89 Au83 68.37(5) . . ?
Au1A Au89 Au83 89.18(5) . . ?
S1_88 Au90 S1_87 174.8(3) . . ?
S1_88 Au90 Au88 99.6(2) . . ?
S1_87 Au90 Au88 83.68(19) . . ?
S1_88 Au90 Au70 90.2(2) . . ?
S1_87 Au90 Au70 95.0(2) . . ?
Au88 Au90 Au70 53.77(6) . . ?
S1_74 Au91 Au92 135.92(14) . . ?
S1_74 Au91 Au78 154.33(15) . . ?
Au92 Au91 Au78 67.02(5) . . ?
S1_74 Au91 Au89 137.57(18) . . ?
Au92 Au91 Au89 58.95(5) . . ?
Au78 Au91 Au89 58.62(5) . . ?
S1_74 Au91 Cd11 54.98(17) . . ?
Au92 Au91 Cd11 127.13(9) . . ?
Au78 Au91 Cd11 103.96(7) . . ?
Au89 Au91 Cd11 159.72(8) . . ?
S1_74 Au91 Au96 93.45(14) . . ?
Au92 Au91 Au96 130.60(6) . . ?
Au78 Au91 Au96 64.45(5) . . ?
Au89 Au91 Au96 87.71(5) . . ?
Cd11 Au91 Au96 74.40(7) . . ?
Au89 Au92 Au91 61.51(5) . . ?
Au89 Au92 Au1E 147.59(7) . . ?
Au91 Au92 Au1E 95.27(6) . . ?
Au89 Au92 Au1D 102.38(7) . . ?
Au91 Au92 Au1D 107.29(7) . . ?
Au1E Au92 Au1D 60.95(5) . . ?
Au89 Au92 Au71 103.42(6) . . ?
Au91 Au92 Au71 118.54(6) . . ?
Au1E Au92 Au71 107.78(7) . . ?
Au1D Au92 Au71 133.90(7) . . ?
Au89 Au92 Au87 137.44(7) . . ?
Au91 Au92 Au87 155.52(7) . . ?
Au1E Au92 Au87 60.67(5) . . ?
Au1D Au92 Au87 58.76(5) . . ?
Au71 Au92 Au87 76.50(5) . . ?
Au89 Au92 Au81 81.11(6) . . ?
Au91 Au92 Au81 141.97(7) . . ?
Au1E Au92 Au81 121.82(6) . . ?
Au1D Au92 Au81 86.20(6) . . ?
Au71 Au92 Au81 61.17(5) . . ?
Au87 Au92 Au81 61.27(5) . . ?
Au89 Au92 Au99 114.62(6) . . ?
Au91 Au92 Au99 74.77(6) . . ?
Au1E Au92 Au99 76.19(6) . . ?
Au1D Au92 Au99 137.14(7) . . ?
Au71 Au92 Au99 58.03(5) . . ?
Au87 Au92 Au99 101.44(6) . . ?
Au81 Au92 Au99 119.15(7) . . ?
Au89 Au92 Au78 55.95(5) . . ?
Au91 Au92 Au78 56.56(5) . . ?
Au1E Au92 Au78 131.72(7) . . ?
Au1D Au92 Au78 156.56(7) . . ?
Au71 Au92 Au78 66.08(5) . . ?
Au87 Au92 Au78 142.56(7) . . ?
Au81 Au92 Au78 97.79(5) . . ?
Au99 Au92 Au78 59.82(5) . . ?
S1_70 Au93 S1_72 175.6(2) . . ?
S1_70 Au93 Au89 86.58(15) . . ?
S1_72 Au93 Au89 96.58(15) . . ?
S1_70 Au93 Au78 92.71(17) . . ?
S1_72 Au93 Au78 91.62(17) . . ?
Au89 Au93 Au78 53.81(4) . . ?
S1_69 Au94 Au87 156.11(16) . . ?
S1_69 Au94 Au77 140.36(17) . . ?
Au87 Au94 Au77 62.15(6) . . ?
S1_69 Au94 Au84 132.16(16) . . ?
Au87 Au94 Au84 60.83(6) . . ?
Au77 Au94 Au84 58.11(6) . . ?
S1_69 Au94 Au1G 96.66(15) . . ?
Au87 Au94 Au1G 66.56(6) . . ?
Au77 Au94 Au1G 99.12(7) . . ?
Au84 Au94 Au1G 127.34(8) . . ?
S1_69 Au94 Au1F 87.63(16) . . ?
Au87 Au94 Au1F 94.02(7) . . ?
Au77 Au94 Au1F 74.46(7) . . ?
Au84 Au94 Au1F 132.28(8) . . ?
Au1G Au94 Au1F 51.78(6) . . ?
S1_69 Au94 Au1I 99.02(16) . . ?
Au87 Au94 Au1I 59.10(5) . . ?
Au77 Au94 Au1I 120.60(7) . . ?
Au84 Au94 Au1I 85.85(7) . . ?
Au1G Au94 Au1I 65.13(7) . . ?
Au1F Au94 Au1I 116.89(8) . . ?
S1_70 Au96 S1_78 172.1(3) . . ?
S1_70 Au96 Au91 95.69(14) . . ?
S1_78 Au96 Au91 87.49(13) . . ?
S1_70 Au96 Au78 89.77(18) . . ?
S1_78 Au96 Au78 86.59(16) . . ?
Au91 Au96 Au78 51.14(4) . . ?
S1_85 Au97 Au1A 160.05(16) . . ?
S1_85 Au97 Au1B 132.88(14) . . ?
Au1A Au97 Au1B 62.06(6) . . ?
S1_85 Au97 Au84 81.76(15) . . ?
Au1A Au97 Au84 117.03(7) . . ?
Au1B Au97 Au84 78.35(6) . . ?
S1_85 Au97 Au1D 101.72(13) . . ?
Au1A Au97 Au1D 66.47(6) . . ?
Au1B Au97 Au1D 125.24(7) . . ?
Au84 Au97 Au1D 110.93(7) . . ?
S1_85 Au97 Au81 139.45(15) . . ?
Au1A Au97 Au81 57.01(5) . . ?
Au1B Au97 Au81 57.11(5) . . ?
Au84 Au97 Au81 60.62(5) . . ?
Au1D Au97 Au81 80.17(6) . . ?
S1_85 Au97 Au87 90.46(13) . . ?
Au1A Au97 Au87 94.66(6) . . ?
Au1B Au97 Au87 112.33(7) . . ?
Au84 Au97 Au87 56.60(5) . . ?
Au1D Au97 Au87 54.43(5) . . ?
Au81 Au97 Au87 57.35(5) . . ?
S1_85 Au97 Au1J 101.33(15) . . ?
Au1A Au97 Au1J 59.71(6) . . ?
Au1B Au97 Au1J 100.46(7) . . ?
Au84 Au97 Au1J 176.52(8) . . ?
Au1D Au97 Au1J 67.01(6) . . ?
Au81 Au97 Au1J 115.97(7) . . ?
Au87 Au97 Au1J 121.44(7) . . ?
S1_85 Au97 Au1H 86.23(13) . . ?
Au1A Au97 Au1H 91.82(6) . . ?
Au1B Au97 Au1H 63.76(6) . . ?
Au84 Au97 Au1H 112.94(7) . . ?
Au1D Au97 Au1H 136.09(7) . . ?
Au81 Au97 Au1H 120.64(7) . . ?
Au87 Au97 Au1H 169.45(7) . . ?
Au1J Au97 Au1H 69.08(6) . . ?
Au99 Au98 Au1F 152.77(8) . . ?
Au99 Au98 Au86 62.43(5) . . ?
Au1F Au98 Au86 102.77(7) . . ?
Au99 Au98 Au1M 100.55(8) . . ?
Au1F Au98 Au1M 60.83(6) . . ?
Au86 Au98 Au1M 108.77(8) . . ?
Au99 Au98 Au77 116.97(6) . . ?
Au1F Au98 Au77 80.74(7) . . ?
Au86 Au98 Au77 82.52(6) . . ?
Au1M Au98 Au77 141.31(8) . . ?
Au99 Au98 Au87 105.15(7) . . ?
Au1F Au98 Au87 101.70(7) . . ?
Au86 Au98 Au87 130.30(7) . . ?
Au1M Au98 Au87 120.92(7) . . ?
Au77 Au98 Au87 59.77(5) . . ?
Au99 Au98 Au71 58.80(5) . . ?
Au1F Au98 Au71 135.04(8) . . ?
Au86 Au98 Au71 57.71(5) . . ?
Au1M Au98 Au71 158.33(8) . . ?
Au77 Au98 Au71 58.23(5) . . ?
Au87 Au98 Au71 74.47(5) . . ?
Au99 Au98 Au1G 132.07(8) . . ?
Au1F Au98 Au1G 57.01(6) . . ?
Au86 Au98 Au1G 158.59(8) . . ?
Au1M Au98 Au1G 57.13(6) . . ?
Au77 Au98 Au1G 99.37(7) . . ?
Au87 Au98 Au1G 66.22(5) . . ?
Au71 Au98 Au1G 140.69(7) . . ?
Au99 Au98 Au1E 75.78(6) . . ?
Au1F Au98 Au1E 115.89(7) . . ?
Au86 Au98 Au1E 138.19(7) . . ?
Au1M Au98 Au1E 78.99(7) . . ?
Au77 Au98 Au1E 117.61(7) . . ?
Au87 Au98 Au1E 58.04(5) . . ?
Au71 Au98 Au1E 100.10(6) . . ?
Au1G Au98 Au1E 59.46(5) . . ?
S1_81 Au99 Au98 111.83(13) . . ?
S1_81 Au99 Au71 175.76(14) . . ?
Au98 Au99 Au71 64.03(5) . . ?
S1_81 Au99 Au86 119.14(16) . . ?
Au98 Au99 Au86 59.24(5) . . ?
Au71 Au99 Au86 58.40(5) . . ?
S1_81 Au99 Au92 121.41(15) . . ?
Au98 Au99 Au92 77.18(6) . . ?
Au71 Au99 Au92 59.45(5) . . ?
Au86 Au99 Au92 114.57(6) . . ?
S1_81 Au99 Au78 116.76(14) . . ?
Au98 Au99 Au78 127.67(7) . . ?
Au71 Au99 Au78 67.45(5) . . ?
Au86 Au99 Au78 108.90(6) . . ?
Au92 Au99 Au78 61.92(5) . . ?
S1_84 Au1A Au97 168.97(17) . . ?
S1_84 Au1A Au81 123.16(17) . . ?
Au97 Au1A Au81 66.83(6) . . ?
S1_84 Au1A Au1B 128.13(16) . . ?
Au97 Au1A Au1B 59.55(5) . . ?
Au81 Au1A Au1B 59.52(5) . . ?
S1_84 Au1A Au1J 101.80(17) . . ?
Au97 Au1A Au1J 67.46(6) . . ?
Au81 Au1A Au1J 133.20(7) . . ?
Au1B Au1A Au1J 104.00(6) . . ?
S1_84 Au1A Au89 50.35(16) . . ?
Au97 Au1A Au89 135.15(7) . . ?
Au81 Au1A Au89 77.77(6) . . ?
Au1B Au1A Au89 123.14(7) . . ?
Au1J Au1A Au89 132.86(7) . . ?
S1_84 Au1A Au1D 113.56(16) . . ?
Au97 Au1A Au1D 60.96(5) . . ?
Au81 Au1A Au1D 81.82(6) . . ?
Au1B Au1A Au1D 117.71(6) . . ?
Au1J Au1A Au1D 67.73(5) . . ?
Au89 Au1A Au1D 88.29(6) . . ?
S1_68 Au1B Au97 152.65(16) . . ?
S1_68 Au1B Au81 133.47(18) . . ?
Au97 Au1B Au81 66.14(6) . . ?
S1_68 Au1B Au1A 144.05(18) . . ?
Au97 Au1B Au1A 58.39(5) . . ?
Au81 Au1B Au1A 58.90(5) . . ?
S1_68 Au1B Au1H 94.95(16) . . ?
Au97 Au1B Au1H 64.37(6) . . ?
Au81 Au1B Au1H 130.22(7) . . ?
Au1A Au1B Au1H 90.28(6) . . ?
S1_68 Au1B Cd9 52.44(16) . . ?
Au97 Au1B Cd9 102.97(8) . . ?
Au81 Au1B Cd9 120.44(9) . . ?
Au1A Au1B Cd9 160.85(9) . . ?
Au1H Au1B Cd9 76.28(8) . . ?
S1_91 Au1C S1A_82 177.7(3) . . ?
S1_73 Au1D Au87 154.71(15) . . ?
S1_73 Au1D Au92 142.07(14) . . ?
Au87 Au1D Au92 61.81(5) . . ?
S1_73 Au1D Au1E 131.92(15) . . ?
Au87 Au1D Au1E 61.04(5) . . ?
Au92 Au1D Au1E 58.93(5) . . ?
S1_73 Au1D Au97 98.01(15) . . ?
Au87 Au1D Au97 64.15(5) . . ?
Au92 Au1D Au97 97.70(6) . . ?
Au1E Au1D Au97 125.08(7) . . ?
S1_73 Au1D Au1A 90.12(14) . . ?
Au87 Au1D Au1A 92.03(6) . . ?
Au92 Au1D Au1A 72.82(6) . . ?
Au1E Au1D Au1A 131.34(7) . . ?
Au97 Au1D Au1A 52.57(5) . . ?
S1_73 Au1D Au1I 98.72(14) . . ?
Au87 Au1D Au1I 58.38(5) . . ?
Au92 Au1D Au1I 119.21(7) . . ?
Au1E Au1D Au1I 83.17(7) . . ?
Au97 Au1D Au1I 65.59(6) . . ?
Au1A Au1D Au1I 118.17(7) . . ?
S1_73 Au1D Au1J 43.04(14) . . ?
Au87 Au1D Au1J 122.86(7) . . ?
Au92 Au1D Au1J 125.40(7) . . ?
Au1E Au1D Au1J 174.81(8) . . ?
Au97 Au1D Au1J 58.72(5) . . ?
Au1A Au1D Au1J 53.43(5) . . ?
Au1I Au1D Au1J 96.10(6) . . ?
S1_79 Au1E Au92 112.24(13) . . ?
S1_79 Au1E Au1D 118.54(15) . . ?
Au92 Au1E Au1D 60.12(5) . . ?
S1_79 Au1E Au87 173.63(14) . . ?
Au92 Au1E Au87 61.41(5) . . ?
Au1D Au1E Au87 58.74(5) . . ?
S1_79 Au1E Au1G 118.91(14) . . ?
Au92 Au1E Au1G 124.52(7) . . ?
Au1D Au1E Au1G 108.39(7) . . ?
Au87 Au1E Au1G 67.15(6) . . ?
S1_79 Au1E Au98 120.61(14) . . ?
Au92 Au1E Au98 76.57(6) . . ?
Au1D Au1E Au98 115.94(7) . . ?
Au87 Au1E Au98 59.73(5) . . ?
Au1G Au1E Au98 60.19(5) . . ?
S1_89 Au1F Au1G 159.9(2) . . ?
S1_89 Au1F Au98 126.64(19) . . ?
Au1G Au1F Au98 65.13(6) . . ?
S1_89 Au1F Au1M 139.2(3) . . ?
Au1G Au1F Au1M 59.51(7) . . ?
Au98 Au1F Au1M 60.13(6) . . ?
S1_89 Au1F Au1L 96.2(2) . . ?
Au1G Au1F Au1L 67.29(6) . . ?
Au98 Au1F Au1L 130.77(9) . . ?
Au1M Au1F Au1L 104.64(9) . . ?
S1_89 Au1F Au88 50.02(18) . . ?
Au1G Au1F Au88 133.48(9) . . ?
Au98 Au1F Au88 77.38(6) . . ?
Au1M Au1F Au88 122.97(8) . . ?
Au1L Au1F Au88 132.28(10) . . ?
S1_89 Au1F Au94 103.2(2) . . ?
Au1G Au1F Au94 60.91(6) . . ?
Au98 Au1F Au94 77.99(7) . . ?
Au1M Au1F Au94 116.96(8) . . ?
Au1L Au1F Au94 68.55(8) . . ?
Au88 Au1F Au94 85.92(7) . . ?
S1_65 Au1G Au1F 157.35(14) . . ?
S1_65 Au1G Au1M 135.13(15) . . ?
Au1F Au1G Au1M 61.63(7) . . ?
S1_65 Au1G Au1E 83.53(13) . . ?
Au1F Au1G Au1E 117.61(7) . . ?
Au1M Au1G Au1E 80.07(7) . . ?
S1_65 Au1G Au98 140.26(13) . . ?
Au1F Au1G Au98 57.86(6) . . ?
Au1M Au1G Au98 58.40(6) . . ?
Au1E Au1G Au98 60.35(5) . . ?
S1_65 Au1G Au94 99.87(13) . . ?
Au1F Au1G Au94 67.32(7) . . ?
Au1M Au1G Au94 124.86(8) . . ?
Au1E Au1G Au94 107.55(7) . . ?
Au98 Au1G Au94 77.95(6) . . ?
S1_65 Au1G Au1O 85.04(11) . . ?
Au1F Au1G Au1O 91.80(7) . . ?
Au1M Au1G Au1O 66.10(6) . . ?
Au1E Au1G Au1O 116.39(7) . . ?
Au98 Au1G Au1O 124.20(7) . . ?
Au94 Au1G Au1O 136.06(7) . . ?
S1_65 Au1G Au1L 98.76(13) . . ?
Au1F Au1G Au1L 59.58(7) . . ?
Au1M Au1G Au1L 100.82(9) . . ?
Au1E Au1G Au1L 175.43(9) . . ?
Au98 Au1G Au1L 116.23(8) . . ?
Au94 Au1G Au1L 68.23(8) . . ?
Au1O Au1G Au1L 67.87(7) . . ?
S1_65 Au1G Au87 90.88(12) . . ?
Au1F Au1G Au87 95.01(7) . . ?
Au1M Au1G Au87 112.24(7) . . ?
Au1E Au1G Au87 55.00(5) . . ?
Au98 Au1G Au87 55.89(5) . . ?
Au94 Au1G Au87 52.61(5) . . ?
Au1O Au1G Au87 170.97(8) . . ?
Au1L Au1G Au87 120.83(9) . . ?
S1_66 Au1H S1_64 176.8(2) . . ?
S1_66 Au1H Au1B 96.20(14) . . ?
S1_64 Au1H Au1B 86.97(16) . . ?
S1_66 Au1H Au97 92.39(16) . . ?
S1_64 Au1H Au97 89.88(17) . . ?
Au1B Au1H Au97 51.88(5) . . ?
S1_65 Au1I S1_85 169.62(17) . . ?
S1_65 Au1I Au87 96.74(14) . . ?
S1_85 Au1I Au87 93.41(13) . . ?
S1_65 Au1I Au94 94.37(16) . . ?
S1_85 Au1I Au94 90.26(16) . . ?
Au87 Au1I Au94 51.29(5) . . ?
S1_65 Au1I Au1D 93.87(14) . . ?
S1_85 Au1I Au1D 94.21(14) . . ?
Au87 Au1I Au1D 50.94(5) . . ?
Au94 Au1I Au1D 102.23(6) . . ?
S1_73 Au1J S1_66 175.1(2) . . ?
S1_73 Au1J Au1A 95.06(14) . . ?
S1_66 Au1J Au1A 88.94(15) . . ?
S1_73 Au1J Au97 93.79(17) . . ?
S1_66 Au1J Au97 90.83(17) . . ?
Au1A Au1J Au97 52.83(5) . . ?
S1_73 Au1J Au1D 43.05(15) . . ?
S1_66 Au1J Au1D 141.81(17) . . ?
Au1A Au1J Au1D 58.84(5) . . ?
Au97 Au1J Au1D 54.27(5) . . ?
S1_69 Au1L S1_62 170.3(2) . . ?
S1_69 Au1L Au1F 95.58(15) . . ?
S1_62 Au1L Au1F 91.58(16) . . ?
S1_69 Au1L Au1G 95.36(17) . . ?
S1_62 Au1L Au1G 94.12(17) . . ?
Au1F Au1L Au1G 53.13(6) . . ?
S1_67 Au1M Au1G 153.7(2) . . ?
S1_67 Au1M Au98 124.79(16) . . ?
Au1G Au1M Au98 64.47(6) . . ?
S1_67 Au1M Au1F 147.3(2) . . ?
Au1G Au1M Au1F 58.86(7) . . ?
Au98 Au1M Au1F 59.03(6) . . ?
S1_67 Au1M Cd12 52.7(2) . . ?
Au1G Au1M Cd12 101.03(12) . . ?
Au98 Au1M Cd12 117.61(11) . . ?
Au1F Au1M Cd12 159.66(13) . . ?
S1_67 Au1M Au1O 105.66(15) . . ?
Au1G Au1M Au1O 62.52(6) . . ?
Au98 Au1M Au1O 126.68(8) . . ?
Au1F Au1M Au1O 88.44(7) . . ?
Cd12 Au1M Au1O 78.36(10) . . ?
S1_83 Cd8 S1A_90 103.1(4) . . ?
S1_83 Cd8 S1_91 97.9(4) . . ?
S1A_90 Cd8 S1_91 110.0(3) . . ?
S1_83 Cd8 S1_86 119.2(2) . . ?
S1A_90 Cd8 S1_86 111.5(4) . . ?
S1_91 Cd8 S1_86 113.9(3) . . ?
S1_83 Cd8 Au85 89.66(17) . . ?
S1A_90 Cd8 Au85 84.3(3) . . ?
S1_91 Cd8 Au85 161.6(3) . . ?
S1_86 Cd8 Au85 48.32(17) . . ?
S1_64 Cd9 S1_68 112.5(2) . . ?
S1_64 Cd9 S1_63 96.4(2) . . ?
S1_68 Cd9 S1_63 126.1(2) . . ?
S1_64 Cd9 S1A_82 105.0(3) . . ?
S1_68 Cd9 S1A_82 113.1(3) . . ?
S1_63 Cd9 S1A_82 100.9(3) . . ?
S1_64 Cd9 Au1B 84.74(17) . . ?
S1_68 Cd9 Au1B 48.77(14) . . ?
S1_63 Cd9 Au1B 93.01(16) . . ?
S1A_82 Cd9 Au1B 161.9(2) . . ?
S1_75 Cd11 S1_74 111.7(2) . . ?
S1_75 Cd11 S1_81 103.6(2) . . ?
S1_74 Cd11 S1_81 117.9(2) . . ?
S1_75 Cd11 S1_78 109.9(2) . . ?
S1_74 Cd11 S1_78 114.4(2) . . ?
S1_81 Cd11 S1_78 98.1(2) . . ?
S1_75 Cd11 Au91 159.32(19) . . ?
S1_74 Cd11 Au91 47.79(15) . . ?
S1_81 Cd11 Au91 87.35(14) . . ?
S1_78 Cd11 Au91 85.38(15) . . ?
S1_76 Cd12 S1_67 115.2(3) . . ?
S1_76 Cd12 S1_79 103.5(2) . . ?
S1_67 Cd12 S1_79 116.3(2) . . ?
S1_76 Cd12 S1_77 107.4(2) . . ?
S1_67 Cd12 S1_77 114.2(2) . . ?
S1_79 Cd12 S1_77 98.4(2) . . ?
S1_76 Cd12 Au1M 160.5(3) . . ?
S1_67 Cd12 Au1M 46.18(15) . . ?
S1_79 Cd12 Au1M 92.23(17) . . ?
S1_77 Cd12 Au1M 81.06(16) . . ?
S1_71 Au69_1000 C1_71 40.3(4) . . ?
S1_71 Au69_1000 Au71_1000 101.5(4) . . ?
C1_71 Au69_1000 Au71_1000 127.0(4) . . ?
S1_71 Au69_1000 Au83_1000 95.0(5) . . ?
C1_71 Au69_1000 Au83_1000 134.9(5) . . ?
Au71_1000 Au69_1000 Au83_1000 51.3(2) . . ?
S1_71 Au69_1000 Au86_1000 100.7(4) . . ?
C1_71 Au69_1000 Au86_1000 93.3(3) . . ?
Au71_1000 Au69_1000 Au86_1000 51.7(2) . . ?
Au83_1000 Au69_1000 Au86_1000 103.1(3) . . ?
Au88_1000 Au70_1000 Au85_1000 60.9(3) . . ?
Au88_1000 Au70_1000 S1_71 151.8(4) . . ?
Au85_1000 Au70_1000 S1_71 147.2(4) . . ?
Au88_1000 Au70_1000 Au75_1000 117.7(4) . . ?
Au85_1000 Au70_1000 Au75_1000 80.1(3) . . ?
S1_71 Au70_1000 Au75_1000 80.1(3) . . ?
Au88_1000 Au70_1000 Au77_1000 57.6(3) . . ?
Au85_1000 Au70_1000 Au77_1000 57.0(2) . . ?
S1_71 Au70_1000 Au77_1000 130.4(3) . . ?
Au75_1000 Au70_1000 Au77_1000 60.6(3) . . ?
Au88_1000 Au70_1000 Au86_1000 67.3(3) . . ?
Au85_1000 Au70_1000 Au86_1000 123.6(4) . . ?
S1_71 Au70_1000 Au86_1000 87.2(3) . . ?
Au75_1000 Au70_1000 Au86_1000 107.0(3) . . ?
Au77_1000 Au70_1000 Au86_1000 77.8(3) . . ?
Au88_1000 Au70_1000 Au90_1000 57.9(3) . . ?
Au85_1000 Au70_1000 Au90_1000 100.3(4) . . ?
S1_71 Au70_1000 Au90_1000 102.2(4) . . ?
Au75_1000 Au70_1000 Au90_1000 173.6(4) . . ?
Au77_1000 Au70_1000 Au90_1000 114.2(4) . . ?
Au86_1000 Au70_1000 Au90_1000 67.3(3) . . ?
Au88_1000 Au70_1000 Au71_1000 94.4(3) . . ?
Au85_1000 Au70_1000 Au71_1000 110.2(3) . . ?
S1_71 Au70_1000 Au71_1000 78.1(3) . . ?
Au75_1000 Au70_1000 Au71_1000 54.3(2) . . ?
Au77_1000 Au70_1000 Au71_1000 55.2(2) . . ?
Au86_1000 Au70_1000 Au71_1000 52.8(2) . . ?
Au90_1000 Au70_1000 Au71_1000 120.1(3) . . ?
Au88_1000 Au70_1000 Au80_1000 84.2(3) . . ?
Au85_1000 Au70_1000 Au80_1000 61.3(2) . . ?
S1_71 Au70_1000 Au80_1000 107.2(3) . . ?
Au75_1000 Au70_1000 Au80_1000 118.6(4) . . ?
Au77_1000 Au70_1000 Au80_1000 117.4(3) . . ?
Au86_1000 Au70_1000 Au80_1000 133.7(4) . . ?
Au90_1000 Au70_1000 Au80_1000 66.7(3) . . ?
Au71_1000 Au70_1000 Au80_1000 170.9(3) . . ?
Au83_1000 Au71_1000 Au86_1000 139.0(4) . . ?
Au83_1000 Au71_1000 Au75_1000 61.8(3) . . ?
Au86_1000 Au71_1000 Au75_1000 119.5(3) . . ?
Au83_1000 Au71_1000 Au99_1000 118.5(3) . . ?
Au86_1000 Au71_1000 Au99_1000 61.2(3) . . ?
Au75_1000 Au71_1000 Au99_1000 178.8(4) . . ?
Au83_1000 Au71_1000 Au92_1000 84.8(3) . . ?
Au86_1000 Au71_1000 Au92_1000 121.2(3) . . ?
Au75_1000 Au71_1000 Au92_1000 115.9(3) . . ?
Au99_1000 Au71_1000 Au92_1000 63.2(2) . . ?
Au83_1000 Au71_1000 Au77_1000 122.6(3) . . ?
Au86_1000 Au71_1000 Au77_1000 84.0(3) . . ?
Au75_1000 Au71_1000 Au77_1000 63.6(3) . . ?
Au99_1000 Au71_1000 Au77_1000 115.8(3) . . ?
Au92_1000 Au71_1000 Au77_1000 104.3(3) . . ?
Au83_1000 Au71_1000 Au81_1000 59.5(2) . . ?
Au86_1000 Au71_1000 Au81_1000 159.8(3) . . ?
Au75_1000 Au71_1000 Au81_1000 56.3(2) . . ?
Au99_1000 Au71_1000 Au81_1000 122.7(3) . . ?
Au92_1000 Au71_1000 Au81_1000 59.6(2) . . ?
Au77_1000 Au71_1000 Au81_1000 76.6(3) . . ?
Au83_1000 Au71_1000 Au98_1000 160.5(3) . . ?
Au86_1000 Au71_1000 Au98_1000 58.4(3) . . ?
Au75_1000 Au71_1000 Au98_1000 122.5(3) . . ?
Au99_1000 Au71_1000 Au98_1000 56.7(2) . . ?
Au92_1000 Au71_1000 Au98_1000 76.4(3) . . ?
Au77_1000 Au71_1000 Au98_1000 59.1(2) . . ?
Au81_1000 Au71_1000 Au98_1000 105.5(3) . . ?
Au83_1000 Au71_1000 Au69_1000 69.5(3) . . ?
Au86_1000 Au71_1000 Au69_1000 69.5(3) . . ?
Au75_1000 Au71_1000 Au69_1000 89.5(3) . . ?
Au99_1000 Au71_1000 Au69_1000 91.7(3) . . ?
Au92_1000 Au71_1000 Au69_1000 129.7(3) . . ?
Au77_1000 Au71_1000 Au69_1000 126.0(3) . . ?
Au81_1000 Au71_1000 Au69_1000 127.4(3) . . ?
Au98_1000 Au71_1000 Au69_1000 127.1(3) . . ?
Au83_1000 Au71_1000 Au78_1000 59.5(2) . . ?
Au86_1000 Au71_1000 Au78_1000 103.1(3) . . ?
Au75_1000 Au71_1000 Au78_1000 121.2(3) . . ?
Au99_1000 Au71_1000 Au78_1000 59.1(2) . . ?
Au92_1000 Au71_1000 Au78_1000 61.1(2) . . ?
Au77_1000 Au71_1000 Au78_1000 165.4(3) . . ?
Au81_1000 Au71_1000 Au78_1000 94.6(3) . . ?
Au98_1000 Au71_1000 Au78_1000 113.6(3) . . ?
Au69_1000 Au71_1000 Au78_1000 68.6(2) . . ?
Au83_1000 Au71_1000 Au70_1000 104.4(3) . . ?
Au86_1000 Au71_1000 Au70_1000 60.8(2) . . ?
Au75_1000 Au71_1000 Au70_1000 58.7(2) . . ?
Au99_1000 Au71_1000 Au70_1000 122.0(3) . . ?
Au92_1000 Au71_1000 Au70_1000 162.5(3) . . ?
Au77_1000 Au71_1000 Au70_1000 58.3(2) . . ?
Au81_1000 Au71_1000 Au70_1000 111.9(3) . . ?
Au98_1000 Au71_1000 Au70_1000 92.7(3) . . ?
Au69_1000 Au71_1000 Au70_1000 67.8(2) . . ?
Au78_1000 Au71_1000 Au70_1000 136.3(3) . . ?
S1_83 Au75_1000 Au81_1000 103.2(4) . . ?
S1_83 Au75_1000 Au71_1000 162.4(5) . . ?
Au81_1000 Au75_1000 Au71_1000 63.8(3) . . ?
S1_83 Au75_1000 Au83_1000 106.0(4) . . ?
Au81_1000 Au75_1000 Au83_1000 60.7(3) . . ?
Au71_1000 Au75_1000 Au83_1000 57.9(2) . . ?
S1_83 Au75_1000 Au70_1000 128.9(4) . . ?
Au81_1000 Au75_1000 Au70_1000 126.7(4) . . ?
Au71_1000 Au75_1000 Au70_1000 67.0(3) . . ?
Au83_1000 Au75_1000 Au70_1000 107.7(3) . . ?
S1_83 Au75_1000 Au77_1000 132.8(4) . . ?
Au81_1000 Au75_1000 Au77_1000 77.8(3) . . ?
Au71_1000 Au75_1000 Au77_1000 58.9(2) . . ?
Au83_1000 Au75_1000 Au77_1000 114.4(3) . . ?
Au70_1000 Au75_1000 Au77_1000 59.6(2) . . ?
Au85_1000 Au77_1000 Au88_1000 61.1(3) . . ?
Au85_1000 Au77_1000 Au84_1000 96.1(3) . . ?
Au88_1000 Au77_1000 Au84_1000 149.5(4) . . ?
Au85_1000 Au77_1000 Au94_1000 104.7(3) . . ?
Au88_1000 Au77_1000 Au94_1000 102.0(4) . . ?
Au84_1000 Au77_1000 Au94_1000 62.2(3) . . ?
Au85_1000 Au77_1000 Au71_1000 122.0(3) . . ?
Au88_1000 Au77_1000 Au71_1000 102.2(3) . . ?
Au84_1000 Au77_1000 Au71_1000 107.4(3) . . ?
Au94_1000 Au77_1000 Au71_1000 133.3(3) . . ?
Au85_1000 Au77_1000 Au98_1000 139.6(4) . . ?
Au88_1000 Au77_1000 Au98_1000 78.5(3) . . ?
Au84_1000 Au77_1000 Au98_1000 122.1(3) . . ?
Au94_1000 Au77_1000 Au98_1000 84.5(3) . . ?
Au71_1000 Au77_1000 Au98_1000 62.3(2) . . ?
Au85_1000 Au77_1000 Au87_1000 155.6(4) . . ?
Au88_1000 Au77_1000 Au87_1000 135.7(4) . . ?
Au84_1000 Au77_1000 Au87_1000 61.0(3) . . ?
Au94_1000 Au77_1000 Au87_1000 58.7(2) . . ?
Au71_1000 Au77_1000 Au87_1000 76.1(3) . . ?
Au98_1000 Au77_1000 Au87_1000 61.3(2) . . ?
Au85_1000 Au77_1000 Au70_1000 57.9(2) . . ?
Au88_1000 Au77_1000 Au70_1000 57.3(3) . . ?
Au84_1000 Au77_1000 Au70_1000 129.8(4) . . ?
Au94_1000 Au77_1000 Au70_1000 156.9(4) . . ?
Au71_1000 Au77_1000 Au70_1000 66.6(2) . . ?
Au98_1000 Au77_1000 Au70_1000 99.7(3) . . ?
Au87_1000 Au77_1000 Au70_1000 142.7(3) . . ?
Au85_1000 Au77_1000 Au75_1000 80.1(3) . . ?
Au88_1000 Au77_1000 Au75_1000 116.5(3) . . ?
Au84_1000 Au77_1000 Au75_1000 75.0(3) . . ?
Au94_1000 Au77_1000 Au75_1000 137.1(4) . . ?
Au71_1000 Au77_1000 Au75_1000 57.6(2) . . ?
Au98_1000 Au77_1000 Au75_1000 119.7(3) . . ?
Au87_1000 Au77_1000 Au75_1000 100.0(3) . . ?
Au70_1000 Au77_1000 Au75_1000 59.8(3) . . ?
S1_80 Au78_1000 Au89_1000 162.5(4) . . ?
S1_80 Au78_1000 Au91_1000 119.1(4) . . ?
Au89_1000 Au78_1000 Au91_1000 61.9(3) . . ?
S1_80 Au78_1000 Au83_1000 115.3(4) . . ?
Au89_1000 Au78_1000 Au83_1000 69.0(3) . . ?
Au91_1000 Au78_1000 Au83_1000 125.0(3) . . ?
S1_80 Au78_1000 Au99_1000 81.7(3) . . ?
Au89_1000 Au78_1000 Au99_1000 113.9(3) . . ?
Au91_1000 Au78_1000 Au99_1000 73.4(3) . . ?
Au83_1000 Au78_1000 Au99_1000 107.5(3) . . ?
S1_80 Au78_1000 Au92_1000 140.3(4) . . ?
Au89_1000 Au78_1000 Au92_1000 56.3(2) . . ?
Au91_1000 Au78_1000 Au92_1000 55.8(2) . . ?
Au83_1000 Au78_1000 Au92_1000 77.3(2) . . ?
Au99_1000 Au78_1000 Au92_1000 58.8(2) . . ?
S1_80 Au78_1000 Au93_1000 104.5(3) . . ?
Au89_1000 Au78_1000 Au93_1000 59.6(3) . . ?
Au91_1000 Au78_1000 Au93_1000 101.4(3) . . ?
Au83_1000 Au78_1000 Au93_1000 72.0(3) . . ?
Au99_1000 Au78_1000 Au93_1000 173.4(4) . . ?
Au92_1000 Au78_1000 Au93_1000 115.1(3) . . ?
S1_80 Au78_1000 Au71_1000 101.6(3) . . ?
Au89_1000 Au78_1000 Au71_1000 94.3(3) . . ?
Au91_1000 Au78_1000 Au71_1000 106.8(3) . . ?
Au83_1000 Au78_1000 Au71_1000 53.0(2) . . ?
Au99_1000 Au78_1000 Au71_1000 54.6(2) . . ?
Au92_1000 Au78_1000 Au71_1000 54.18(19) . . ?
Au93_1000 Au78_1000 Au71_1000 124.9(3) . . ?
S1_80 Au78_1000 Au96_1000 76.8(3) . . ?
Au89_1000 Au78_1000 Au96_1000 89.5(3) . . ?
Au91_1000 Au78_1000 Au96_1000 63.3(2) . . ?
Au83_1000 Au78_1000 Au96_1000 140.5(3) . . ?
Au99_1000 Au78_1000 Au96_1000 111.5(3) . . ?
Au92_1000 Au78_1000 Au96_1000 118.6(3) . . ?
Au93_1000 Au78_1000 Au96_1000 68.5(3) . . ?
Au71_1000 Au78_1000 Au96_1000 165.9(3) . . ?
S1_87 Au80_1000 S1_90 167.6(11) . . ?
S1_87 Au80_1000 Au85_1000 97.0(4) . . ?
S1_90 Au80_1000 Au85_1000 81.8(8) . . ?
S1_87 Au80_1000 Au70_1000 82.1(4) . . ?
S1_90 Au80_1000 Au70_1000 87.5(10) . . ?
Au85_1000 Au80_1000 Au70_1000 52.3(2) . . ?
Au75_1000 Au81_1000 Au1B_1000 102.2(3) . . ?
Au75_1000 Au81_1000 Au1A_1000 155.6(4) . . ?
Au1B_1000 Au81_1000 Au1A_1000 61.3(3) . . ?
Au75_1000 Au81_1000 Au83_1000 62.2(3) . . ?
Au1B_1000 Au81_1000 Au83_1000 111.0(4) . . ?
Au1A_1000 Au81_1000 Au83_1000 105.0(3) . . ?
Au75_1000 Au81_1000 Au92_1000 118.8(3) . . ?
Au1B_1000 Au81_1000 Au92_1000 138.2(3) . . ?
Au1A_1000 Au81_1000 Au92_1000 77.2(3) . . ?
Au83_1000 Au81_1000 Au92_1000 83.2(3) . . ?
Au75_1000 Au81_1000 Au87_1000 105.8(3) . . ?
Au1B_1000 Au81_1000 Au87_1000 119.3(3) . . ?
Au1A_1000 Au81_1000 Au87_1000 98.2(3) . . ?
Au83_1000 Au81_1000 Au87_1000 129.8(3) . . ?
Au92_1000 Au81_1000 Au87_1000 59.4(2) . . ?
Au75_1000 Au81_1000 Au71_1000 59.9(2) . . ?
Au1B_1000 Au81_1000 Au71_1000 161.1(4) . . ?
Au1A_1000 Au81_1000 Au71_1000 133.1(3) . . ?
Au83_1000 Au81_1000 Au71_1000 57.2(2) . . ?
Au92_1000 Au81_1000 Au71_1000 58.9(2) . . ?
Au87_1000 Au81_1000 Au71_1000 74.4(3) . . ?
Au75_1000 Au81_1000 Au97_1000 132.1(3) . . ?
Au1B_1000 Au81_1000 Au97_1000 57.6(3) . . ?
Au1A_1000 Au81_1000 Au97_1000 56.6(2) . . ?
Au83_1000 Au81_1000 Au97_1000 160.9(3) . . ?
Au92_1000 Au81_1000 Au97_1000 96.3(3) . . ?
Au87_1000 Au81_1000 Au97_1000 63.6(2) . . ?
Au71_1000 Au81_1000 Au97_1000 137.9(3) . . ?
Au75_1000 Au81_1000 Au84_1000 75.3(3) . . ?
Au1B_1000 Au81_1000 Au84_1000 79.9(3) . . ?
Au1A_1000 Au81_1000 Au84_1000 115.7(3) . . ?
Au83_1000 Au81_1000 Au84_1000 137.4(3) . . ?
Au92_1000 Au81_1000 Au84_1000 116.8(3) . . ?
Au87_1000 Au81_1000 Au84_1000 57.6(2) . . ?
Au71_1000 Au81_1000 Au84_1000 99.4(3) . . ?
Au97_1000 Au81_1000 Au84_1000 59.5(2) . . ?
Au71_1000 Au83_1000 S1_72 148.3(4) . . ?
Au71_1000 Au83_1000 Au81_1000 63.4(2) . . ?
S1_72 Au83_1000 Au81_1000 131.3(4) . . ?
Au71_1000 Au83_1000 Au75_1000 60.3(2) . . ?
S1_72 Au83_1000 Au75_1000 150.2(4) . . ?
Au81_1000 Au83_1000 Au75_1000 57.1(2) . . ?
Au71_1000 Au83_1000 Au78_1000 67.5(2) . . ?
S1_72 Au83_1000 Au78_1000 81.2(3) . . ?
Au81_1000 Au83_1000 Au78_1000 101.8(3) . . ?
Au75_1000 Au83_1000 Au78_1000 127.7(3) . . ?
Au71_1000 Au83_1000 Au89_1000 92.8(3) . . ?
S1_72 Au83_1000 Au89_1000 70.5(3) . . ?
Au81_1000 Au83_1000 Au89_1000 73.8(2) . . ?
Au75_1000 Au83_1000 Au89_1000 130.3(3) . . ?
Au78_1000 Au83_1000 Au89_1000 52.1(2) . . ?
Au71_1000 Au83_1000 Au69_1000 59.1(2) . . ?
S1_72 Au83_1000 Au69_1000 105.1(3) . . ?
Au81_1000 Au83_1000 Au69_1000 121.1(3) . . ?
Au75_1000 Au83_1000 Au69_1000 83.5(3) . . ?
Au78_1000 Au83_1000 Au69_1000 67.6(3) . . ?
Au89_1000 Au83_1000 Au69_1000 119.7(3) . . ?
S1_63 Au84_1000 Au77_1000 121.6(5) . . ?
S1_63 Au84_1000 Au87_1000 168.7(4) . . ?
Au77_1000 Au84_1000 Au87_1000 61.5(2) . . ?
S1_63 Au84_1000 Au94_1000 133.2(4) . . ?
Au77_1000 Au84_1000 Au94_1000 59.7(3) . . ?
Au87_1000 Au84_1000 Au94_1000 58.1(3) . . ?
S1_63 Au84_1000 Au97_1000 108.2(4) . . ?
Au77_1000 Au84_1000 Au97_1000 122.2(3) . . ?
Au87_1000 Au84_1000 Au97_1000 64.4(2) . . ?
Au94_1000 Au84_1000 Au97_1000 105.7(4) . . ?
S1_63 Au84_1000 Au81_1000 109.6(4) . . ?
Au77_1000 Au84_1000 Au81_1000 76.6(3) . . ?
Au87_1000 Au84_1000 Au81_1000 59.6(2) . . ?
Au94_1000 Au84_1000 Au81_1000 115.2(3) . . ?
Au97_1000 Au84_1000 Au81_1000 59.6(2) . . ?
S1_86 Au85_1000 C1_86 42.7(3) . . ?
S1_86 Au85_1000 Au77_1000 125.8(5) . . ?
C1_86 Au85_1000 Au77_1000 165.5(4) . . ?
S1_86 Au85_1000 Au70_1000 139.0(5) . . ?
C1_86 Au85_1000 Au70_1000 129.1(4) . . ?
Au77_1000 Au85_1000 Au70_1000 65.1(3) . . ?
S1_86 Au85_1000 Au88_1000 161.4(5) . . ?
C1_86 Au85_1000 Au88_1000 127.6(5) . . ?
Au77_1000 Au85_1000 Au88_1000 59.8(3) . . ?
Au70_1000 Au85_1000 Au88_1000 59.2(3) . . ?
S1_86 Au85_1000 Au80_1000 98.4(4) . . ?
C1_86 Au85_1000 Au80_1000 64.4(3) . . ?
Au77_1000 Au85_1000 Au80_1000 130.1(4) . . ?
Au70_1000 Au85_1000 Au80_1000 66.3(3) . . ?
Au88_1000 Au85_1000 Au80_1000 86.0(4) . . ?
S1_86 Au85_1000 Cd8_1000 37.5(4) . . ?
C1_86 Au85_1000 Cd8_1000 57.1(5) . . ?
Au77_1000 Au85_1000 Cd8_1000 121.3(5) . . ?
Au70_1000 Au85_1000 Cd8_1000 101.5(4) . . ?
Au88_1000 Au85_1000 Cd8_1000 159.4(5) . . ?
Au80_1000 Au85_1000 Cd8_1000 78.9(4) . . ?
S1_88 Au86_1000 Au71_1000 150.6(5) . . ?
S1_88 Au86_1000 Au98_1000 145.2(5) . . ?
Au71_1000 Au86_1000 Au98_1000 64.1(3) . . ?
S1_88 Au86_1000 Au99_1000 125.7(5) . . ?
Au71_1000 Au86_1000 Au99_1000 60.4(2) . . ?
Au98_1000 Au86_1000 Au99_1000 58.3(3) . . ?
S1_88 Au86_1000 Au70_1000 100.5(4) . . ?
Au71_1000 Au86_1000 Au70_1000 66.4(3) . . ?
Au98_1000 Au86_1000 Au70_1000 99.2(3) . . ?
Au99_1000 Au86_1000 Au70_1000 126.8(4) . . ?
S1_88 Au86_1000 Au88_1000 98.4(4) . . ?
Au71_1000 Au86_1000 Au88_1000 93.4(3) . . ?
Au98_1000 Au86_1000 Au88_1000 72.2(3) . . ?
Au99_1000 Au86_1000 Au88_1000 130.1(4) . . ?
Au70_1000 Au86_1000 Au88_1000 51.9(2) . . ?
S1_88 Au86_1000 Au69_1000 92.0(4) . . ?
Au71_1000 Au86_1000 Au69_1000 58.8(3) . . ?
Au98_1000 Au86_1000 Au69_1000 122.2(3) . . ?
Au99_1000 Au86_1000 Au69_1000 85.7(3) . . ?
Au70_1000 Au86_1000 Au69_1000 66.0(3) . . ?
Au88_1000 Au86_1000 Au69_1000 118.0(3) . . ?
S1_88 Au86_1000 Au90_1000 50.7(3) . . ?
Au71_1000 Au86_1000 Au90_1000 124.6(4) . . ?
Au98_1000 Au86_1000 Au90_1000 121.9(4) . . ?
Au99_1000 Au86_1000 Au90_1000 174.9(4) . . ?
Au70_1000 Au86_1000 Au90_1000 58.2(3) . . ?
Au88_1000 Au86_1000 Au90_1000 51.3(2) . . ?
Au69_1000 Au86_1000 Au90_1000 97.8(3) . . ?
Au1D_1000 Au87_1000 Au94_1000 139.7(4) . . ?
Au1D_1000 Au87_1000 Au1E_1000 60.8(3) . . ?
Au94_1000 Au87_1000 Au1E_1000 118.0(3) . . ?
Au1D_1000 Au87_1000 Au84_1000 120.9(3) . . ?
Au94_1000 Au87_1000 Au84_1000 61.2(3) . . ?
Au1E_1000 Au87_1000 Au84_1000 178.3(4) . . ?
Au1D_1000 Au87_1000 Au92_1000 59.3(2) . . ?
Au94_1000 Au87_1000 Au92_1000 159.0(4) . . ?
Au1E_1000 Au87_1000 Au92_1000 58.2(2) . . ?
Au84_1000 Au87_1000 Au92_1000 122.0(3) . . ?
Au1D_1000 Au87_1000 Au77_1000 160.0(4) . . ?
Au94_1000 Au87_1000 Au77_1000 59.4(3) . . ?
Au1E_1000 Au87_1000 Au77_1000 120.8(3) . . ?
Au84_1000 Au87_1000 Au77_1000 57.5(3) . . ?
Au92_1000 Au87_1000 Au77_1000 103.3(3) . . ?
Au1D_1000 Au87_1000 Au81_1000 85.5(3) . . ?
Au94_1000 Au87_1000 Au81_1000 121.0(3) . . ?
Au1E_1000 Au87_1000 Au81_1000 117.6(3) . . ?
Au84_1000 Au87_1000 Au81_1000 62.7(2) . . ?
Au92_1000 Au87_1000 Au81_1000 59.4(2) . . ?
Au77_1000 Au87_1000 Au81_1000 76.4(3) . . ?
Au1D_1000 Au87_1000 Au98_1000 119.8(3) . . ?
Au94_1000 Au87_1000 Au98_1000 83.7(3) . . ?
Au1E_1000 Au87_1000 Au98_1000 61.7(3) . . ?
Au84_1000 Au87_1000 Au98_1000 116.6(3) . . ?
Au92_1000 Au87_1000 Au98_1000 76.6(3) . . ?
Au77_1000 Au87_1000 Au98_1000 59.3(2) . . ?
Au81_1000 Au87_1000 Au98_1000 106.4(3) . . ?
Au1D_1000 Au87_1000 Au1I_1000 70.2(3) . . ?
Au94_1000 Au87_1000 Au1I_1000 69.5(3) . . ?
Au1E_1000 Au87_1000 Au1I_1000 90.2(4) . . ?
Au84_1000 Au87_1000 Au1I_1000 90.8(4) . . ?
Au92_1000 Au87_1000 Au1I_1000 128.6(3) . . ?
Au77_1000 Au87_1000 Au1I_1000 128.1(3) . . ?
Au81_1000 Au87_1000 Au1I_1000 127.8(4) . . ?
Au98_1000 Au87_1000 Au1I_1000 125.9(4) . . ?
Au1D_1000 Au87_1000 Au97_1000 61.4(2) . . ?
Au94_1000 Au87_1000 Au97_1000 104.3(3) . . ?
Au1E_1000 Au87_1000 Au97_1000 122.2(3) . . ?
Au84_1000 Au87_1000 Au97_1000 59.5(2) . . ?
Au92_1000 Au87_1000 Au97_1000 93.5(3) . . ?
Au77_1000 Au87_1000 Au97_1000 114.0(3) . . ?
Au81_1000 Au87_1000 Au97_1000 59.0(2) . . ?
Au98_1000 Au87_1000 Au97_1000 165.4(3) . . ?
Au1I_1000 Au87_1000 Au97_1000 68.8(3) . . ?
Au1D_1000 Au87_1000 Au1G_1000 102.5(3) . . ?
Au94_1000 Au87_1000 Au1G_1000 60.1(3) . . ?
Au1E_1000 Au87_1000 Au1G_1000 58.0(2) . . ?
Au84_1000 Au87_1000 Au1G_1000 121.2(3) . . ?
Au92_1000 Au87_1000 Au1G_1000 113.5(3) . . ?
Au77_1000 Au87_1000 Au1G_1000 93.5(3) . . ?
Au81_1000 Au87_1000 Au1G_1000 164.9(4) . . ?
Au98_1000 Au87_1000 Au1G_1000 58.5(2) . . ?
Au1I_1000 Au87_1000 Au1G_1000 67.3(3) . . ?
Au97_1000 Au87_1000 Au1G_1000 136.1(3) . . ?
S1_89 Au88_1000 Au70_1000 175.6(6) . . ?
S1_89 Au88_1000 Au77_1000 111.7(5) . . ?
Au70_1000 Au88_1000 Au77_1000 65.1(3) . . ?
S1_89 Au88_1000 Au85_1000 116.0(5) . . ?
Au70_1000 Au88_1000 Au85_1000 59.9(3) . . ?
Au77_1000 Au88_1000 Au85_1000 59.1(3) . . ?
S1_89 Au88_1000 Au90_1000 115.1(5) . . ?
Au70_1000 Au88_1000 Au90_1000 68.6(3) . . ?
Au77_1000 Au88_1000 Au90_1000 131.8(4) . . ?
Au85_1000 Au88_1000 Au90_1000 107.1(4) . . ?
S1_89 Au88_1000 Au1F_1000 43.5(3) . . ?
Au70_1000 Au88_1000 Au1F_1000 136.0(4) . . ?
Au77_1000 Au88_1000 Au1F_1000 77.9(3) . . ?
Au85_1000 Au88_1000 Au1F_1000 119.7(4) . . ?
Au90_1000 Au88_1000 Au1F_1000 133.2(5) . . ?
S1_89 Au88_1000 Au86_1000 122.3(5) . . ?
Au70_1000 Au88_1000 Au86_1000 60.8(3) . . ?
Au77_1000 Au88_1000 Au86_1000 77.9(3) . . ?
Au85_1000 Au88_1000 Au86_1000 116.8(4) . . ?
Au90_1000 Au88_1000 Au86_1000 68.6(3) . . ?
Au1F_1000 Au88_1000 Au86_1000 89.7(3) . . ?
S1_84 Au89_1000 Au78_1000 165.9(4) . . ?
S1_84 Au89_1000 Au92_1000 119.0(3) . . ?
Au78_1000 Au89_1000 Au92_1000 68.2(3) . . ?
S1_84 Au89_1000 Au91_1000 112.4(3) . . ?
Au78_1000 Au89_1000 Au91_1000 59.5(2) . . ?
Au92_1000 Au89_1000 Au91_1000 59.0(2) . . ?
S1_84 Au89_1000 Au93_1000 107.2(3) . . ?
Au78_1000 Au89_1000 Au93_1000 66.8(3) . . ?
Au92_1000 Au89_1000 Au93_1000 133.7(4) . . ?
Au91_1000 Au89_1000 Au93_1000 104.6(3) . . ?
S1_84 Au89_1000 Au1A_1000 58.7(2) . . ?
Au78_1000 Au89_1000 Au1A_1000 134.6(3) . . ?
Au92_1000 Au89_1000 Au1A_1000 74.2(3) . . ?
Au91_1000 Au89_1000 Au1A_1000 119.0(3) . . ?
Au93_1000 Au89_1000 Au1A_1000 136.3(4) . . ?
S1_84 Au89_1000 Au83_1000 132.7(3) . . ?
Au78_1000 Au89_1000 Au83_1000 58.8(2) . . ?
Au92_1000 Au89_1000 Au83_1000 77.6(3) . . ?
Au91_1000 Au89_1000 Au83_1000 113.7(3) . . ?
Au93_1000 Au89_1000 Au83_1000 70.8(3) . . ?
Au1A_1000 Au89_1000 Au83_1000 89.4(3) . . ?
S1_87 Au90_1000 S1_88 169.1(8) . . ?
S1_87 Au90_1000 Au88_1000 82.7(5) . . ?
S1_88 Au90_1000 Au88_1000 95.8(4) . . ?
S1_87 Au90_1000 Au70_1000 83.5(5) . . ?
S1_88 Au90_1000 Au70_1000 87.0(3) . . ?
Au88_1000 Au90_1000 Au70_1000 53.5(3) . . ?
S1_87 Au90_1000 Au86_1000 134.8(5) . . ?
S1_88 Au90_1000 Au86_1000 38.9(3) . . ?
Au88_1000 Au90_1000 Au86_1000 60.2(3) . . ?
Au70_1000 Au90_1000 Au86_1000 54.5(2) . . ?
Au92_1000 Au91_1000 Au78_1000 67.9(2) . . ?
Au92_1000 Au91_1000 Au89_1000 59.3(2) . . ?
Au78_1000 Au91_1000 Au89_1000 58.6(2) . . ?
Au92_1000 Au91_1000 Cd11_1000 128.2(5) . . ?
Au78_1000 Au91_1000 Cd11_1000 106.5(4) . . ?
Au89_1000 Au91_1000 Cd11_1000 161.7(5) . . ?
Au92_1000 Au91_1000 Au96_1000 132.8(3) . . ?
Au78_1000 Au91_1000 Au96_1000 65.6(2) . . ?
Au89_1000 Au91_1000 Au96_1000 89.1(3) . . ?
Cd11_1000 Au91_1000 Au96_1000 74.1(4) . . ?
Au92_1000 Au91_1000 Au99_1000 56.2(2) . . ?
Au78_1000 Au91_1000 Au99_1000 56.2(2) . . ?
Au89_1000 Au91_1000 Au99_1000 99.4(3) . . ?
Cd11_1000 Au91_1000 Au99_1000 77.5(4) . . ?
Au96_1000 Au91_1000 Au99_1000 102.0(3) . . ?
Au91_1000 Au92_1000 Au89_1000 61.8(2) . . ?
Au91_1000 Au92_1000 Au1E_1000 95.8(3) . . ?
Au89_1000 Au92_1000 Au1E_1000 149.9(3) . . ?
Au91_1000 Au92_1000 Au1D_1000 109.1(3) . . ?
Au89_1000 Au92_1000 Au1D_1000 105.0(3) . . ?
Au1E_1000 Au92_1000 Au1D_1000 61.3(3) . . ?
Au91_1000 Au92_1000 Au71_1000 117.0(3) . . ?
Au89_1000 Au92_1000 Au71_1000 101.6(3) . . ?
Au1E_1000 Au92_1000 Au71_1000 106.8(3) . . ?
Au1D_1000 Au92_1000 Au71_1000 133.5(3) . . ?
Au91_1000 Au92_1000 Au81_1000 141.9(3) . . ?
Au89_1000 Au92_1000 Au81_1000 80.8(3) . . ?
Au1E_1000 Au92_1000 Au81_1000 121.7(3) . . ?
Au1D_1000 Au92_1000 Au81_1000 86.0(3) . . ?
Au71_1000 Au92_1000 Au81_1000 61.4(2) . . ?
Au91_1000 Au92_1000 Au87_1000 156.2(3) . . ?
Au89_1000 Au92_1000 Au87_1000 138.2(3) . . ?
Au1E_1000 Au92_1000 Au87_1000 60.6(2) . . ?
Au1D_1000 Au92_1000 Au87_1000 58.5(2) . . ?
Au71_1000 Au92_1000 Au87_1000 76.3(3) . . ?
Au81_1000 Au92_1000 Au87_1000 61.2(2) . . ?
Au91_1000 Au92_1000 Au99_1000 73.6(3) . . ?
Au89_1000 Au92_1000 Au99_1000 113.4(3) . . ?
Au1E_1000 Au92_1000 Au99_1000 74.8(3) . . ?
Au1D_1000 Au92_1000 Au99_1000 136.2(3) . . ?
Au71_1000 Au92_1000 Au99_1000 58.1(2) . . ?
Au81_1000 Au92_1000 Au99_1000 119.5(3) . . ?
Au87_1000 Au92_1000 Au99_1000 100.9(3) . . ?
Au91_1000 Au92_1000 Au78_1000 56.2(2) . . ?
Au89_1000 Au92_1000 Au78_1000 55.6(2) . . ?
Au1E_1000 Au92_1000 Au78_1000 130.3(4) . . ?
Au1D_1000 Au92_1000 Au78_1000 158.8(3) . . ?
Au71_1000 Au92_1000 Au78_1000 64.7(2) . . ?
Au81_1000 Au92_1000 Au78_1000 97.8(3) . . ?
Au87_1000 Au92_1000 Au78_1000 141.0(3) . . ?
Au99_1000 Au92_1000 Au78_1000 58.9(2) . . ?
S1_72 Au93_1000 C1_72 45.1(4) . . ?
S1_72 Au93_1000 Au89_1000 94.1(4) . . ?
C1_72 Au93_1000 Au89_1000 131.3(5) . . ?
S1_72 Au93_1000 Au78_1000 97.2(5) . . ?
C1_72 Au93_1000 Au78_1000 99.2(5) . . ?
Au89_1000 Au93_1000 Au78_1000 53.6(2) . . ?
S1_69 Au94_1000 Au87_1000 150.6(5) . . ?
S1_69 Au94_1000 Au77_1000 146.1(5) . . ?
Au87_1000 Au94_1000 Au77_1000 61.9(3) . . ?
S1_69 Au94_1000 Au84_1000 132.9(5) . . ?
Au87_1000 Au94_1000 Au84_1000 60.7(3) . . ?
Au77_1000 Au94_1000 Au84_1000 58.2(3) . . ?
S1_69 Au94_1000 Au1G_1000 93.4(4) . . ?
Au87_1000 Au94_1000 Au1G_1000 66.9(3) . . ?
Au77_1000 Au94_1000 Au1G_1000 99.0(3) . . ?
Au84_1000 Au94_1000 Au1G_1000 127.5(3) . . ?
S1_69 Au94_1000 Au1F_1000 90.0(4) . . ?
Au87_1000 Au94_1000 Au1F_1000 93.3(3) . . ?
Au77_1000 Au94_1000 Au1F_1000 74.3(3) . . ?
Au84_1000 Au94_1000 Au1F_1000 132.1(4) . . ?
Au1G_1000 Au94_1000 Au1F_1000 51.0(3) . . ?
S1_69 Au94_1000 Au1I_1000 93.7(4) . . ?
Au87_1000 Au94_1000 Au1I_1000 59.0(3) . . ?
Au77_1000 Au94_1000 Au1I_1000 120.2(3) . . ?
Au84_1000 Au94_1000 Au1I_1000 85.1(4) . . ?
Au1G_1000 Au94_1000 Au1I_1000 66.0(3) . . ?
Au1F_1000 Au94_1000 Au1I_1000 116.9(4) . . ?
S1_78 Au96_1000 S1_70 150.4(5) . . ?
S1_78 Au96_1000 Au91_1000 89.4(3) . . ?
S1_70 Au96_1000 Au91_1000 95.0(3) . . ?
S1_78 Au96_1000 Au78_1000 101.5(4) . . ?
S1_70 Au96_1000 Au78_1000 104.0(4) . . ?
Au91_1000 Au96_1000 Au78_1000 51.13(19) . . ?
S1_85 Au97_1000 Au1A_1000 148.9(4) . . ?
S1_85 Au97_1000 Au1B_1000 141.1(4) . . ?
Au1A_1000 Au97_1000 Au1B_1000 61.7(3) . . ?
S1_85 Au97_1000 Au84_1000 90.2(3) . . ?
Au1A_1000 Au97_1000 Au84_1000 118.5(4) . . ?
Au1B_1000 Au97_1000 Au84_1000 80.6(3) . . ?
S1_85 Au97_1000 Au81_1000 145.5(4) . . ?
Au1A_1000 Au97_1000 Au81_1000 58.0(3) . . ?
Au1B_1000 Au97_1000 Au81_1000 57.4(3) . . ?
Au84_1000 Au97_1000 Au81_1000 60.9(2) . . ?
S1_85 Au97_1000 Au1D_1000 93.7(3) . . ?
Au1A_1000 Au97_1000 Au1D_1000 66.7(3) . . ?
Au1B_1000 Au97_1000 Au1D_1000 125.0(4) . . ?
Au84_1000 Au97_1000 Au1D_1000 109.8(3) . . ?
Au81_1000 Au97_1000 Au1D_1000 80.4(3) . . ?
S1_85 Au97_1000 Au87_1000 91.6(3) . . ?
Au1A_1000 Au97_1000 Au87_1000 94.9(3) . . ?
Au1B_1000 Au97_1000 Au87_1000 113.1(3) . . ?
Au84_1000 Au97_1000 Au87_1000 56.2(2) . . ?
Au81_1000 Au97_1000 Au87_1000 57.4(2) . . ?
Au1D_1000 Au97_1000 Au87_1000 53.7(2) . . ?
S1_85 Au97_1000 Au1J_1000 90.2(4) . . ?
Au1A_1000 Au97_1000 Au1J_1000 60.6(3) . . ?
Au1B_1000 Au97_1000 Au1J_1000 100.9(4) . . ?
Au84_1000 Au97_1000 Au1J_1000 177.1(4) . . ?
Au81_1000 Au97_1000 Au1J_1000 117.7(3) . . ?
Au1D_1000 Au97_1000 Au1J_1000 67.3(3) . . ?
Au87_1000 Au97_1000 Au1J_1000 121.0(3) . . ?
S1_85 Au97_1000 Au1H_1000 87.7(4) . . ?
Au1A_1000 Au97_1000 Au1H_1000 91.1(3) . . ?
Au1B_1000 Au97_1000 Au1H_1000 62.4(3) . . ?
Au84_1000 Au97_1000 Au1H_1000 113.2(3) . . ?
Au81_1000 Au97_1000 Au1H_1000 119.6(4) . . ?
Au1D_1000 Au97_1000 Au1H_1000 137.0(3) . . ?
Au87_1000 Au97_1000 Au1H_1000 169.3(3) . . ?
Au1J_1000 Au97_1000 Au1H_1000 69.7(3) . . ?
Au1F_1000 Au98_1000 Au99_1000 153.2(4) . . ?
Au1F_1000 Au98_1000 Au86_1000 105.6(4) . . ?
Au99_1000 Au98_1000 Au86_1000 61.8(3) . . ?
Au1F_1000 Au98_1000 Au1M_1000 60.3(3) . . ?
Au99_1000 Au98_1000 Au1M_1000 100.3(4) . . ?
Au86_1000 Au98_1000 Au1M_1000 110.9(4) . . ?
Au1F_1000 Au98_1000 Au77_1000 81.2(3) . . ?
Au99_1000 Au98_1000 Au77_1000 117.9(3) . . ?
Au86_1000 Au98_1000 Au77_1000 83.3(3) . . ?
Au1M_1000 Au98_1000 Au77_1000 141.1(4) . . ?
Au1F_1000 Au98_1000 Au87_1000 101.0(4) . . ?
Au99_1000 Au98_1000 Au87_1000 105.0(3) . . ?
Au86_1000 Au98_1000 Au87_1000 129.7(4) . . ?
Au1M_1000 Au98_1000 Au87_1000 119.4(4) . . ?
Au77_1000 Au98_1000 Au87_1000 59.5(2) . . ?
Au1F_1000 Au98_1000 Au71_1000 136.6(4) . . ?
Au99_1000 Au98_1000 Au71_1000 59.3(2) . . ?
Au86_1000 Au98_1000 Au71_1000 57.5(3) . . ?
Au1M_1000 Au98_1000 Au71_1000 159.2(4) . . ?
Au77_1000 Au98_1000 Au71_1000 58.7(2) . . ?
Au87_1000 Au98_1000 Au71_1000 73.8(3) . . ?
Au1F_1000 Au98_1000 Au1E_1000 114.1(3) . . ?
Au99_1000 Au98_1000 Au1E_1000 75.4(3) . . ?
Au86_1000 Au98_1000 Au1E_1000 137.2(4) . . ?
Au1M_1000 Au98_1000 Au1E_1000 77.5(4) . . ?
Au77_1000 Au98_1000 Au1E_1000 117.2(3) . . ?
Au87_1000 Au98_1000 Au1E_1000 57.9(2) . . ?
Au71_1000 Au98_1000 Au1E_1000 99.5(3) . . ?
Au1F_1000 Au98_1000 Au1G_1000 55.6(3) . . ?
Au99_1000 Au98_1000 Au1G_1000 131.8(3) . . ?
Au86_1000 Au98_1000 Au1G_1000 160.3(4) . . ?
Au1M_1000 Au98_1000 Au1G_1000 56.8(3) . . ?
Au77_1000 Au98_1000 Au1G_1000 97.9(3) . . ?
Au87_1000 Au98_1000 Au1G_1000 65.3(3) . . ?
Au71_1000 Au98_1000 Au1G_1000 139.1(4) . . ?
Au1E_1000 Au98_1000 Au1G_1000 59.3(3) . . ?
Au98_1000 Au99_1000 S1_81 113.8(3) . . ?
Au98_1000 Au99_1000 Au71_1000 64.0(2) . . ?
S1_81 Au99_1000 Au71_1000 173.0(4) . . ?
Au98_1000 Au99_1000 Au86_1000 59.9(3) . . ?
S1_81 Au99_1000 Au86_1000 127.0(4) . . ?
Au71_1000 Au99_1000 Au86_1000 58.4(2) . . ?
Au98_1000 Au99_1000 Au78_1000 127.2(3) . . ?
S1_81 Au99_1000 Au78_1000 113.5(3) . . ?
Au71_1000 Au99_1000 Au78_1000 66.2(2) . . ?
Au86_1000 Au99_1000 Au78_1000 106.2(3) . . ?
Au98_1000 Au99_1000 Au92_1000 77.5(3) . . ?
S1_81 Au99_1000 Au92_1000 114.6(3) . . ?
Au71_1000 Au99_1000 Au92_1000 58.7(2) . . ?
Au86_1000 Au99_1000 Au92_1000 114.4(3) . . ?
Au78_1000 Au99_1000 Au92_1000 62.2(2) . . ?
Au98_1000 Au99_1000 Au91_1000 122.9(3) . . ?
S1_81 Au99_1000 Au91_1000 76.7(2) . . ?
Au71_1000 Au99_1000 Au91_1000 98.8(3) . . ?
Au86_1000 Au99_1000 Au91_1000 154.8(3) . . ?
Au78_1000 Au99_1000 Au91_1000 50.4(2) . . ?
Au92_1000 Au99_1000 Au91_1000 50.2(2) . . ?
Au97_1000 Au1A_1000 Au81_1000 65.4(3) . . ?
Au97_1000 Au1A_1000 Au1B_1000 59.9(3) . . ?
Au81_1000 Au1A_1000 Au1B_1000 59.2(3) . . ?
Au97_1000 Au1A_1000 S1_84 160.4(4) . . ?
Au81_1000 Au1A_1000 S1_84 129.9(3) . . ?
Au1B_1000 Au1A_1000 S1_84 135.9(4) . . ?
Au97_1000 Au1A_1000 Au1J_1000 66.7(3) . . ?
Au81_1000 Au1A_1000 Au1J_1000 131.0(4) . . ?
Au1B_1000 Au1A_1000 Au1J_1000 103.8(4) . . ?
S1_84 Au1A_1000 Au1J_1000 95.3(3) . . ?
Au97_1000 Au1A_1000 Au89_1000 134.9(4) . . ?
Au81_1000 Au1A_1000 Au89_1000 77.2(3) . . ?
Au1B_1000 Au1A_1000 Au89_1000 120.3(3) . . ?
S1_84 Au1A_1000 Au89_1000 53.7(2) . . ?
Au1J_1000 Au1A_1000 Au89_1000 135.9(3) . . ?
Au97_1000 Au1A_1000 Au1D_1000 60.9(3) . . ?
Au81_1000 Au1A_1000 Au1D_1000 80.9(3) . . ?
Au1B_1000 Au1A_1000 Au1D_1000 118.0(3) . . ?
S1_84 Au1A_1000 Au1D_1000 106.0(3) . . ?
Au1J_1000 Au1A_1000 Au1D_1000 67.4(3) . . ?
Au89_1000 Au1A_1000 Au1D_1000 89.9(3) . . ?
S1_68 Au1B_1000 Au81_1000 136.9(5) . . ?
S1_68 Au1B_1000 Au97_1000 157.7(5) . . ?
Au81_1000 Au1B_1000 Au97_1000 65.0(3) . . ?
S1_68 Au1B_1000 Au1A_1000 130.9(5) . . ?
Au81_1000 Au1B_1000 Au1A_1000 59.5(3) . . ?
Au97_1000 Au1B_1000 Au1A_1000 58.4(3) . . ?
S1_68 Au1B_1000 Au1H_1000 93.2(4) . . ?
Au81_1000 Au1B_1000 Au1H_1000 129.9(4) . . ?
Au97_1000 Au1B_1000 Au1H_1000 65.1(3) . . ?
Au1A_1000 Au1B_1000 Au1H_1000 90.9(3) . . ?
S1_68 Au1B_1000 Cd9_1000 65.4(4) . . ?
Au81_1000 Au1B_1000 Cd9_1000 117.8(5) . . ?
Au97_1000 Au1B_1000 Cd9_1000 102.7(4) . . ?
Au1A_1000 Au1B_1000 Cd9_1000 160.9(5) . . ?
Au1H_1000 Au1B_1000 Cd9_1000 76.9(4) . . ?
S1_82 Au1C_1000 S1A_91 156.1(13) . . ?
S1_82 Au1C_1000 Cd8_1000 139.2(12) . . ?
S1A_91 Au1C_1000 Cd8_1000 46.9(9) . . ?
S1_73 Au1D_1000 Au87_1000 160.6(4) . . ?
S1_73 Au1D_1000 Au92_1000 137.1(4) . . ?
Au87_1000 Au1D_1000 Au92_1000 62.2(2) . . ?
S1_73 Au1D_1000 Au1E_1000 125.9(3) . . ?
Au87_1000 Au1D_1000 Au1E_1000 61.1(2) . . ?
Au92_1000 Au1D_1000 Au1E_1000 59.2(3) . . ?
S1_73 Au1D_1000 Au97_1000 104.7(3) . . ?
Au87_1000 Au1D_1000 Au97_1000 64.9(2) . . ?
Au92_1000 Au1D_1000 Au97_1000 97.2(3) . . ?
Au1E_1000 Au1D_1000 Au97_1000 126.0(3) . . ?
S1_73 Au1D_1000 Au1A_1000 92.7(3) . . ?
Au87_1000 Au1D_1000 Au1A_1000 92.9(3) . . ?
Au92_1000 Au1D_1000 Au1A_1000 72.3(3) . . ?
Au1E_1000 Au1D_1000 Au1A_1000 131.2(4) . . ?
Au97_1000 Au1D_1000 Au1A_1000 52.4(2) . . ?
S1_73 Au1D_1000 Au1I_1000 102.3(3) . . ?
Au87_1000 Au1D_1000 Au1I_1000 58.9(3) . . ?
Au92_1000 Au1D_1000 Au1I_1000 120.4(3) . . ?
Au1E_1000 Au1D_1000 Au1I_1000 84.6(3) . . ?
Au97_1000 Au1D_1000 Au1I_1000 66.0(3) . . ?
Au1A_1000 Au1D_1000 Au1I_1000 118.4(3) . . ?
S1_73 Au1D_1000 Au1J_1000 48.7(2) . . ?
Au87_1000 Au1D_1000 Au1J_1000 123.1(3) . . ?
Au92_1000 Au1D_1000 Au1J_1000 125.4(4) . . ?
Au1E_1000 Au1D_1000 Au1J_1000 174.4(4) . . ?
Au97_1000 Au1D_1000 Au1J_1000 58.3(2) . . ?
Au1A_1000 Au1D_1000 Au1J_1000 53.8(2) . . ?
Au1I_1000 Au1D_1000 Au1J_1000 94.8(3) . . ?
S1_79 Au1E_1000 Au92_1000 113.5(3) . . ?
S1_79 Au1E_1000 Au1D_1000 113.2(3) . . ?
Au92_1000 Au1E_1000 Au1D_1000 59.4(3) . . ?
S1_79 Au1E_1000 Au87_1000 171.0(4) . . ?
Au92_1000 Au1E_1000 Au87_1000 61.2(2) . . ?
Au1D_1000 Au1E_1000 Au87_1000 58.1(2) . . ?
S1_79 Au1E_1000 Au1G_1000 120.2(3) . . ?
Au92_1000 Au1E_1000 Au1G_1000 124.7(3) . . ?
Au1D_1000 Au1E_1000 Au1G_1000 107.1(4) . . ?
Au87_1000 Au1E_1000 Au1G_1000 67.0(3) . . ?
S1_79 Au1E_1000 Au98_1000 127.0(4) . . ?
Au92_1000 Au1E_1000 Au98_1000 77.3(3) . . ?
Au1D_1000 Au1E_1000 Au98_1000 116.0(3) . . ?
Au87_1000 Au1E_1000 Au98_1000 60.4(2) . . ?
Au1G_1000 Au1E_1000 Au98_1000 61.0(3) . . ?
S1_89 Au1F_1000 Au1G_1000 161.7(6) . . ?
S1_89 Au1F_1000 Au98_1000 118.9(5) . . ?
Au1G_1000 Au1F_1000 Au98_1000 67.0(3) . . ?
S1_89 Au1F_1000 Au1M_1000 137.7(6) . . ?
Au1G_1000 Au1F_1000 Au1M_1000 60.7(4) . . ?
Au98_1000 Au1F_1000 Au1M_1000 60.8(3) . . ?
S1_89 Au1F_1000 Au1L_1000 100.0(5) . . ?
Au1G_1000 Au1F_1000 Au1L_1000 68.3(3) . . ?
Au98_1000 Au1F_1000 Au1L_1000 133.2(5) . . ?
Au1M_1000 Au1F_1000 Au1L_1000 107.2(5) . . ?
S1_89 Au1F_1000 Au88_1000 44.1(3) . . ?
Au1G_1000 Au1F_1000 Au88_1000 133.8(4) . . ?
Au98_1000 Au1F_1000 Au88_1000 75.5(3) . . ?
Au1M_1000 Au1F_1000 Au88_1000 121.5(5) . . ?
Au1L_1000 Au1F_1000 Au88_1000 131.3(5) . . ?
S1_89 Au1F_1000 Au94_1000 102.4(5) . . ?
Au1G_1000 Au1F_1000 Au94_1000 60.5(3) . . ?
Au98_1000 Au1F_1000 Au94_1000 78.9(3) . . ?
Au1M_1000 Au1F_1000 Au94_1000 117.7(4) . . ?
Au1L_1000 Au1F_1000 Au94_1000 67.6(4) . . ?
Au88_1000 Au1F_1000 Au94_1000 87.0(4) . . ?
S1_65 Au1G_1000 Au1F_1000 164.3(4) . . ?
S1_65 Au1G_1000 Au1M_1000 128.8(4) . . ?
Au1F_1000 Au1G_1000 Au1M_1000 61.4(3) . . ?
S1_65 Au1G_1000 Au1E_1000 79.1(3) . . ?
Au1F_1000 Au1G_1000 Au1E_1000 116.3(4) . . ?
Au1M_1000 Au1G_1000 Au1E_1000 78.3(4) . . ?
S1_65 Au1G_1000 Au98_1000 136.8(4) . . ?
Au1F_1000 Au1G_1000 Au98_1000 57.4(3) . . ?
Au1M_1000 Au1G_1000 Au98_1000 58.0(3) . . ?
Au1E_1000 Au1G_1000 Au98_1000 59.7(3) . . ?
S1_65 Au1G_1000 Au94_1000 104.8(4) . . ?
Au1F_1000 Au1G_1000 Au94_1000 68.5(3) . . ?
Au1M_1000 Au1G_1000 Au94_1000 125.7(4) . . ?
Au1E_1000 Au1G_1000 Au94_1000 108.0(3) . . ?
Au98_1000 Au1G_1000 Au94_1000 78.5(3) . . ?
S1_65 Au1G_1000 Au1L_1000 104.8(4) . . ?
Au1F_1000 Au1G_1000 Au1L_1000 59.7(3) . . ?
Au1M_1000 Au1G_1000 Au1L_1000 101.8(5) . . ?
Au1E_1000 Au1G_1000 Au1L_1000 174.5(5) . . ?
Au98_1000 Au1G_1000 Au1L_1000 115.6(4) . . ?
Au94_1000 Au1G_1000 Au1L_1000 67.4(4) . . ?
S1_65 Au1G_1000 Au1O 80.5(3) . . ?
Au1F_1000 Au1G_1000 Au1O 95.8(4) . . ?
Au1M_1000 Au1G_1000 Au1O 66.5(3) . . ?
Au1E_1000 Au1G_1000 Au1O 111.5(3) . . ?
Au98_1000 Au1G_1000 Au1O 124.5(4) . . ?
Au94_1000 Au1G_1000 Au1O 140.4(3) . . ?
Au1L_1000 Au1G_1000 Au1O 73.3(4) . . ?
S1_65 Au1G_1000 Au87_1000 90.8(3) . . ?
Au1F_1000 Au1G_1000 Au87_1000 95.6(3) . . ?
Au1M_1000 Au1G_1000 Au87_1000 111.7(4) . . ?
Au1E_1000 Au1G_1000 Au87_1000 55.0(2) . . ?
Au98_1000 Au1G_1000 Au87_1000 56.2(2) . . ?
Au94_1000 Au1G_1000 Au87_1000 53.1(2) . . ?
Au1L_1000 Au1G_1000 Au87_1000 120.5(4) . . ?
Au1O Au1G_1000 Au87_1000 165.5(3) . . ?
S1_64 Au1H_1000 S1_66 169.6(6) . . ?
S1_64 Au1H_1000 Au1B_1000 90.0(4) . . ?
S1_66 Au1H_1000 Au1B_1000 98.0(4) . . ?
S1_64 Au1H_1000 Au97_1000 89.1(5) . . ?
S1_66 Au1H_1000 Au97_1000 90.5(3) . . ?
Au1B_1000 Au1H_1000 Au97_1000 52.6(3) . . ?
S1_85 Au1I_1000 S1_65 159.4(5) . . ?
S1_85 Au1I_1000 Au87_1000 94.9(4) . . ?
S1_65 Au1I_1000 Au87_1000 97.7(4) . . ?
S1_85 Au1I_1000 Au94_1000 100.5(4) . . ?
S1_65 Au1I_1000 Au94_1000 100.1(4) . . ?
Au87_1000 Au1I_1000 Au94_1000 51.5(2) . . ?
S1_85 Au1I_1000 Au1D_1000 86.8(4) . . ?
S1_65 Au1I_1000 Au1D_1000 88.5(4) . . ?
Au87_1000 Au1I_1000 Au1D_1000 50.9(2) . . ?
Au94_1000 Au1I_1000 Au1D_1000 102.3(3) . . ?
S1_66 Au1J_1000 S1_73 151.7(5) . . ?
S1_66 Au1J_1000 Au1A_1000 93.1(4) . . ?
S1_73 Au1J_1000 Au1A_1000 99.4(4) . . ?
S1_66 Au1J_1000 Au97_1000 103.7(4) . . ?
S1_73 Au1J_1000 Au97_1000 104.0(4) . . ?
Au1A_1000 Au1J_1000 Au97_1000 52.7(2) . . ?
S1_66 Au1J_1000 Au1D_1000 150.8(4) . . ?
S1_73 Au1J_1000 Au1D_1000 51.9(3) . . ?
Au1A_1000 Au1J_1000 Au1D_1000 58.7(3) . . ?
Au97_1000 Au1J_1000 Au1D_1000 54.4(2) . . ?
S1_69 Au1L_1000 S1_62 168.6(7) . . ?
S1_69 Au1L_1000 Au1F_1000 93.2(5) . . ?
S1_62 Au1L_1000 Au1F_1000 88.7(5) . . ?
S1_69 Au1L_1000 Au1G_1000 85.5(5) . . ?
S1_62 Au1L_1000 Au1G_1000 86.8(4) . . ?
Au1F_1000 Au1L_1000 Au1G_1000 52.0(3) . . ?
S1_67 Au1M_1000 Au1G_1000 147.6(6) . . ?
S1_67 Au1M_1000 Au1F_1000 154.2(6) . . ?
Au1G_1000 Au1M_1000 Au1F_1000 57.9(3) . . ?
S1_67 Au1M_1000 Au98_1000 125.9(5) . . ?
Au1G_1000 Au1M_1000 Au98_1000 65.2(3) . . ?
Au1F_1000 Au1M_1000 Au98_1000 58.8(3) . . ?
S1_67 Au1M_1000 Cd12_1000 47.5(6) . . ?
Au1G_1000 Au1M_1000 Cd12_1000 100.1(6) . . ?
Au1F_1000 Au1M_1000 Cd12_1000 156.9(7) . . ?
Au98_1000 Au1M_1000 Cd12_1000 121.4(6) . . ?
S1_67 Au1M_1000 Au1O 99.7(4) . . ?
Au1G_1000 Au1M_1000 Au1O 62.8(3) . . ?
Au1F_1000 Au1M_1000 Au1O 91.7(4) . . ?
Au98_1000 Au1M_1000 Au1O 127.9(5) . . ?
Cd12_1000 Au1M_1000 Au1O 70.1(5) . . ?
S1_86 Cd8_1000 S1_90 107.7(10) . . ?
S1_86 Cd8_1000 S1A_91 122.4(12) . . ?
S1_90 Cd8_1000 S1A_91 104.3(14) . . ?
S1_86 Cd8_1000 C1_86 40.6(5) . . ?
S1_90 Cd8_1000 C1_86 75.2(10) . . ?
S1A_91 Cd8_1000 C1_86 109.6(11) . . ?
S1_86 Cd8_1000 Au85_1000 42.3(4) . . ?
S1_90 Cd8_1000 Au85_1000 78.2(8) . . ?
S1A_91 Cd8_1000 Au85_1000 162.5(11) . . ?
C1_86 Cd8_1000 Au85_1000 53.9(4) . . ?
S1_86 Cd8_1000 Au1C_1000 104.4(6) . . ?
S1_90 Cd8_1000 Au1C_1000 143.7(9) . . ?
S1A_91 Cd8_1000 Au1C_1000 42.2(11) . . ?
C1_86 Cd8_1000 Au1C_1000 123.0(6) . . ?
Au85_1000 Cd8_1000 Au1C_1000 138.1(5) . . ?
S1_63 Cd9_1000 S1_64 94.7(6) . . ?
S1_63 Cd9_1000 S1_82 117.3(10) . . ?
S1_64 Cd9_1000 S1_82 128.4(9) . . ?
S1_63 Cd9_1000 S1_68 116.9(6) . . ?
S1_64 Cd9_1000 S1_68 93.6(5) . . ?
S1_82 Cd9_1000 S1_68 104.7(10) . . ?
S1_63 Cd9_1000 Au1B_1000 82.4(5) . . ?
S1_64 Cd9_1000 Au1B_1000 74.3(4) . . ?
S1_82 Cd9_1000 Au1B_1000 144.3(11) . . ?
S1_68 Cd9_1000 Au1B_1000 41.1(3) . . ?
S1_81 Cd11_1000 S1_78 114.9(8) . . ?
S1_81 Cd11_1000 S1_74 122.9(7) . . ?
S1_78 Cd11_1000 S1_74 114.7(7) . . ?
S1_81 Cd11_1000 S1_75 100.1(6) . . ?
S1_78 Cd11_1000 S1_75 103.0(5) . . ?
S1_74 Cd11_1000 S1_75 94.8(5) . . ?
S1_81 Cd11_1000 Au91_1000 91.8(5) . . ?
S1_78 Cd11_1000 Au91_1000 90.7(5) . . ?
S1_74 Cd11_1000 Au91_1000 61.2(4) . . ?
S1_75 Cd11_1000 Au91_1000 155.8(7) . . ?
S1_67 Cd12_1000 S1_77 128.8(9) . . ?
S1_67 Cd12_1000 S1_79 117.9(9) . . ?
S1_77 Cd12_1000 S1_79 99.0(10) . . ?
S1_67 Cd12_1000 S1_76 110.0(9) . . ?
S1_77 Cd12_1000 S1_76 102.4(7) . . ?
S1_79 Cd12_1000 S1_76 91.8(6) . . ?
S1_67 Cd12_1000 Au1M_1000 51.4(4) . . ?
S1_77 Cd12_1000 Au1M_1000 90.9(6) . . ?
S1_79 Cd12_1000 Au1M_1000 99.1(6) . . ?
S1_76 Cd12_1000 Au1M_1000 161.3(11) . . ?
C1_2 S1_2 Au25 110.4(4) . . ?
C1_2 S1_2 Au17 100.37(17) . . ?
Au25 S1_2 Au17 92.65(14) . . ?
C2_2 C1_2 C6_2 120.0 . . ?
C2_2 C1_2 S1_2 117.6(6) . . ?
C6_2 C1_2 S1_2 122.4(6) . . ?
C3_2 C2_2 C1_2 120.0 . . ?
C3_2 C2_2 H2_2 120.0 . . ?
C1_2 C2_2 H2_2 120.0 . . ?
C2_2 C3_2 C4_2 120.0 . . ?
C2_2 C3_2 C7_2 120.2(9) . . ?
C4_2 C3_2 C7_2 119.8(9) . . ?
C5_2 C4_2 C3_2 120.0 . . ?
C5_2 C4_2 H4_2 120.0 . . ?
C3_2 C4_2 H4_2 120.0 . . ?
C4_2 C5_2 C6_2 120.0 . . ?
C4_2 C5_2 C8_2 120.1(9) . . ?
C6_2 C5_2 C8_2 119.9(9) . . ?
C5_2 C6_2 C1_2 120.0 . . ?
C5_2 C6_2 H6_2 120.0 . . ?
C1_2 C6_2 H6_2 120.0 . . ?
C3_2 C7_2 H7A_2 109.5 . . ?
C3_2 C7_2 H7B_2 109.5 . . ?
H7A_2 C7_2 H7B_2 109.5 . . ?
C3_2 C7_2 H7C_2 109.5 . . ?
H7A_2 C7_2 H7C_2 109.5 . . ?
H7B_2 C7_2 H7C_2 109.5 . . ?
C5_2 C8_2 H8A_2 109.5 . . ?
C5_2 C8_2 H8B_2 109.5 . . ?
H8A_2 C8_2 H8B_2 109.5 . . ?
C5_2 C8_2 H8C_2 109.5 . . ?
H8A_2 C8_2 H8C_2 109.5 . . ?
H8B_2 C8_2 H8C_2 109.5 . . ?
C1_3 S1_3 Au43 108.7(4) . . ?
C1_3 S1_3 Au13 113.7(2) . . ?
Au43 S1_3 Au13 89.85(16) . . ?
C2_3 C1_3 C6_3 120.5(9) . . ?
C2_3 C1_3 S1_3 120.9(8) . . ?
C6_3 C1_3 S1_3 118.5(8) . . ?
C1_3 C2_3 C3_3 119.6(10) . . ?
C1_3 C2_3 H2_3 120.2 . . ?
C3_3 C2_3 H2_3 120.2 . . ?
C4_3 C3_3 C2_3 119.6(10) . . ?
C4_3 C3_3 C7_3 121.8(11) . . ?
C2_3 C3_3 C7_3 118.7(11) . . ?
C3_3 C4_3 C5_3 121.4(11) . . ?
C3_3 C4_3 H4_3 119.3 . . ?
C5_3 C4_3 H4_3 119.3 . . ?
C4_3 C5_3 C6_3 119.4(10) . . ?
C4_3 C5_3 C8_3 120.1(10) . . ?
C6_3 C5_3 C8_3 120.4(11) . . ?
C5_3 C6_3 C1_3 119.3(10) . . ?
C5_3 C6_3 H6_3 120.3 . . ?
C1_3 C6_3 H6_3 120.3 . . ?
C3_3 C7_3 H7A_3 109.5 . . ?
C3_3 C7_3 H7B_3 109.5 . . ?
H7A_3 C7_3 H7B_3 109.5 . . ?
C3_3 C7_3 H7C_3 109.5 . . ?
H7A_3 C7_3 H7C_3 109.5 . . ?
H7B_3 C7_3 H7C_3 109.5 . . ?
C5_3 C8_3 H8A_3 109.5 . . ?
C5_3 C8_3 H8B_3 109.5 . . ?
H8A_3 C8_3 H8B_3 109.5 . . ?
C5_3 C8_3 H8C_3 109.5 . . ?
H8A_3 C8_3 H8C_3 109.5 . . ?
H8B_3 C8_3 H8C_3 109.5 . . ?
C1_4 S1_4 Au55 110.1(4) . . ?
C1_4 S1_4 Au43 107.5(4) . . ?
Au55 S1_4 Au43 102.71(16) . . ?
C2_4 C1_4 C6_4 118.9(11) . . ?
C2_4 C1_4 S1_4 119.6(9) . . ?
C6_4 C1_4 S1_4 121.5(10) . . ?
C1_4 C2_4 C3_4 120.1(11) . . ?
C1_4 C2_4 H2_4 120.0 . . ?
C3_4 C2_4 H2_4 120.0 . . ?
C4_4 C3_4 C2_4 119.6(12) . . ?
C4_4 C3_4 C7_4 123.6(13) . . ?
C2_4 C3_4 C7_4 116.9(12) . . ?
C5_4 C4_4 C3_4 121.5(13) . . ?
C5_4 C4_4 H4_4 119.2 . . ?
C3_4 C4_4 H4_4 119.2 . . ?
C4_4 C5_4 C6_4 119.3(12) . . ?
C4_4 C5_4 C8_4 120.4(13) . . ?
C6_4 C5_4 C8_4 120.2(12) . . ?
C1_4 C6_4 C5_4 120.7(12) . . ?
C1_4 C6_4 H6_4 119.7 . . ?
C5_4 C6_4 H6_4 119.7 . . ?
C3_4 C7_4 H7A_4 109.5 . . ?
C3_4 C7_4 H7B_4 109.5 . . ?
H7A_4 C7_4 H7B_4 109.5 . . ?
C3_4 C7_4 H7C_4 109.5 . . ?
H7A_4 C7_4 H7C_4 109.5 . . ?
H7B_4 C7_4 H7C_4 109.5 . . ?
C5_4 C8_4 H8A_4 109.5 . . ?
C5_4 C8_4 H8B_4 109.5 . . ?
H8A_4 C8_4 H8B_4 109.5 . . ?
C5_4 C8_4 H8C_4 109.5 . . ?
H8A_4 C8_4 H8C_4 109.5 . . ?
H8B_4 C8_4 H8C_4 109.5 . . ?
C1_5 S1_5 Au41 99.8(2) . . ?
C1_5 S1_5 Cd1 110.3(4) . . ?
Au41 S1_5 Cd1 76.98(14) . . ?
C2_5 C1_5 C6_5 121.5(10) . . ?
C2_5 C1_5 S1_5 121.1(9) . . ?
C6_5 C1_5 S1_5 117.4(8) . . ?
C1_5 C2_5 C3_5 119.5(11) . . ?
C1_5 C2_5 H2_5 120.3 . . ?
C3_5 C2_5 H2_5 120.3 . . ?
C4_5 C3_5 C2_5 118.4(11) . . ?
C4_5 C3_5 C7_5 124.0(12) . . ?
C2_5 C3_5 C7_5 117.6(11) . . ?
C3_5 C4_5 C5_5 122.7(11) . . ?
C3_5 C4_5 H4_5 118.6 . . ?
C5_5 C4_5 H4_5 118.6 . . ?
C4_5 C5_5 C6_5 119.3(11) . . ?
C4_5 C5_5 C8_5 122.3(11) . . ?
C6_5 C5_5 C8_5 118.4(11) . . ?
C1_5 C6_5 C5_5 118.6(11) . . ?
C1_5 C6_5 H6_5 120.7 . . ?
C5_5 C6_5 H6_5 120.7 . . ?
C3_5 C7_5 H7A_5 109.5 . . ?
C3_5 C7_5 H7B_5 109.5 . . ?
H7A_5 C7_5 H7B_5 109.5 . . ?
C3_5 C7_5 H7C_5 109.5 . . ?
H7A_5 C7_5 H7C_5 109.5 . . ?
H7B_5 C7_5 H7C_5 109.5 . . ?
C5_5 C8_5 H8A_5 109.5 . . ?
C5_5 C8_5 H8B_5 109.5 . . ?
H8A_5 C8_5 H8B_5 109.5 . . ?
C5_5 C8_5 H8C_5 109.5 . . ?
H8A_5 C8_5 H8C_5 109.5 . . ?
H8B_5 C8_5 H8C_5 109.5 . . ?
C1_6 S1_6 Au24 109.2(5) . . ?
C1_6 S1_6 Cd5 99.1(2) . . ?
Au24 S1_6 Cd5 104.90(15) . . ?
C6_6 C1_6 C2_6 118.9(11) . . ?
C6_6 C1_6 S1_6 122.1(9) . . ?
C2_6 C1_6 S1_6 119.0(9) . . ?
C1_6 C2_6 C3_6 121.1(12) . . ?
C1_6 C2_6 H2_6 119.4 . . ?
C3_6 C2_6 H2_6 119.4 . . ?
C4_6 C3_6 C2_6 117.9(12) . . ?
C4_6 C3_6 C7_6 122.6(12) . . ?
C2_6 C3_6 C7_6 119.5(12) . . ?
C3_6 C4_6 C5_6 122.1(12) . . ?
C3_6 C4_6 H4_6 118.9 . . ?
C5_6 C4_6 H4_6 118.9 . . ?
C4_6 C5_6 C6_6 119.4(12) . . ?
C4_6 C5_6 C8_6 122.0(12) . . ?
C6_6 C5_6 C8_6 118.6(12) . . ?
C1_6 C6_6 C5_6 120.5(12) . . ?
C1_6 C6_6 H6_6 119.7 . . ?
C5_6 C6_6 H6_6 119.7 . . ?
C3_6 C7_6 H7A_6 109.5 . . ?
C3_6 C7_6 H7B_6 109.5 . . ?
H7A_6 C7_6 H7B_6 109.5 . . ?
C3_6 C7_6 H7C_6 109.5 . . ?
H7A_6 C7_6 H7C_6 109.5 . . ?
H7B_6 C7_6 H7C_6 109.5 . . ?
C5_6 C8_6 H8A_6 109.5 . . ?
C5_6 C8_6 H8B_6 109.5 . . ?
H8A_6 C8_6 H8B_6 109.5 . . ?
C5_6 C8_6 H8C_6 109.5 . . ?
H8A_6 C8_6 H8C_6 109.5 . . ?
H8B_6 C8_6 H8C_6 109.5 . . ?
C1_7 S1_7 Au56 109.8(5) . . ?
C1_7 S1_7 Au45 107.69(18) . . ?
Au56 S1_7 Au45 93.80(17) . . ?
C2_7 C1_7 C6_7 118.3(11) . . ?
C2_7 C1_7 S1_7 124.6(10) . . ?
C6_7 C1_7 S1_7 117.1(10) . . ?
C1_7 C2_7 C3_7 120.7(12) . . ?
C1_7 C2_7 H2_7 119.6 . . ?
C3_7 C2_7 H2_7 119.6 . . ?
C4_7 C3_7 C2_7 117.7(12) . . ?
C4_7 C3_7 C7_7 121.6(12) . . ?
C2_7 C3_7 C7_7 120.7(12) . . ?
C5_7 C4_7 C3_7 122.5(12) . . ?
C5_7 C4_7 H4_7 118.8 . . ?
C3_7 C4_7 H4_7 118.8 . . ?
C4_7 C5_7 C6_7 120.1(12) . . ?
C4_7 C5_7 C8_7 121.2(12) . . ?
C6_7 C5_7 C8_7 118.8(12) . . ?
C5_7 C6_7 C1_7 120.7(12) . . ?
C5_7 C6_7 H6_7 119.7 . . ?
C1_7 C6_7 H6_7 119.7 . . ?
C3_7 C7_7 H7A_7 109.5 . . ?
C3_7 C7_7 H7B_7 109.5 . . ?
H7A_7 C7_7 H7B_7 109.5 . . ?
C3_7 C7_7 H7C_7 109.5 . . ?
H7A_7 C7_7 H7C_7 109.5 . . ?
H7B_7 C7_7 H7C_7 109.5 . . ?
C5_7 C8_7 H8A_7 109.5 . . ?
C5_7 C8_7 H8B_7 109.5 . . ?
H8A_7 C8_7 H8B_7 109.5 . . ?
C5_7 C8_7 H8C_7 109.5 . . ?
H8A_7 C8_7 H8C_7 109.5 . . ?
H8B_7 C8_7 H8C_7 109.5 . . ?
C1_8 S1_8 Au50 107.6(4) . . ?
C1_8 S1_8 Au16 103.0(2) . . ?
Au50 S1_8 Au16 92.26(15) . . ?
C2_8 C1_8 C6_8 120.5(10) . . ?
C2_8 C1_8 S1_8 123.0(9) . . ?
C6_8 C1_8 S1_8 116.5(9) . . ?
C1_8 C2_8 C3_8 120.8(11) . . ?
C1_8 C2_8 H2_8 119.6 . . ?
C3_8 C2_8 H2_8 119.6 . . ?
C4_8 C3_8 C2_8 117.9(11) . . ?
C4_8 C3_8 C7_8 122.3(12) . . ?
C2_8 C3_8 C7_8 119.8(11) . . ?
C5_8 C4_8 C3_8 122.7(12) . . ?
C5_8 C4_8 H4_8 118.7 . . ?
C3_8 C4_8 H4_8 118.7 . . ?
C4_8 C5_8 C6_8 118.7(11) . . ?
C4_8 C5_8 C8_8 120.9(12) . . ?
C6_8 C5_8 C8_8 120.4(12) . . ?
C1_8 C6_8 C5_8 119.4(11) . . ?
C1_8 C6_8 H6_8 120.3 . . ?
C5_8 C6_8 H6_8 120.3 . . ?
C3_8 C7_8 H7A_8 109.5 . . ?
C3_8 C7_8 H7B_8 109.5 . . ?
H7A_8 C7_8 H7B_8 109.5 . . ?
C3_8 C7_8 H7C_8 109.5 . . ?
H7A_8 C7_8 H7C_8 109.5 . . ?
H7B_8 C7_8 H7C_8 109.5 . . ?
C5_8 C8_8 H8A_8 109.5 . . ?
C5_8 C8_8 H8B_8 109.5 . . ?
H8A_8 C8_8 H8B_8 109.5 . . ?
C5_8 C8_8 H8C_8 109.5 . . ?
H8A_8 C8_8 H8C_8 109.5 . . ?
H8B_8 C8_8 H8C_8 109.5 . . ?
C1_9 S1_9 Au50 105.1(5) . . ?
C1_9 S1_9 Au28 105.8(2) . . ?
Au50 S1_9 Au28 90.49(17) . . ?
C6_9 C1_9 C2_9 121.2(11) . . ?
C6_9 C1_9 S1_9 122.9(10) . . ?
C2_9 C1_9 S1_9 115.9(10) . . ?
C1_9 C2_9 C3_9 119.1(12) . . ?
C1_9 C2_9 H2_9 120.5 . . ?
C3_9 C2_9 H2_9 120.5 . . ?
C4_9 C3_9 C2_9 119.3(12) . . ?
C4_9 C3_9 C7_9 121.8(13) . . ?
C2_9 C3_9 C7_9 118.9(12) . . ?
C5_9 C4_9 C3_9 121.6(13) . . ?
C5_9 C4_9 H4_9 119.2 . . ?
C3_9 C4_9 H4_9 119.2 . . ?
C4_9 C5_9 C6_9 120.8(12) . . ?
C4_9 C5_9 C8_9 121.2(13) . . ?
C6_9 C5_9 C8_9 118.0(13) . . ?
C1_9 C6_9 C5_9 118.0(12) . . ?
C1_9 C6_9 H6_9 121.0 . . ?
C5_9 C6_9 H6_9 121.0 . . ?
C3_9 C7_9 H7A_9 109.5 . . ?
C3_9 C7_9 H7B_9 109.5 . . ?
H7A_9 C7_9 H7B_9 109.5 . . ?
C3_9 C7_9 H7C_9 109.5 . . ?
H7A_9 C7_9 H7C_9 109.5 . . ?
H7B_9 C7_9 H7C_9 109.5 . . ?
C5_9 C8_9 H8A_9 109.5 . . ?
C5_9 C8_9 H8B_9 109.5 . . ?
H8A_9 C8_9 H8B_9 109.5 . . ?
C5_9 C8_9 H8C_9 109.5 . . ?
H8A_9 C8_9 H8C_9 109.5 . . ?
H8B_9 C8_9 H8C_9 109.5 . . ?
C1_10 S1_10 Au21 107.7(5) . . ?
C1_10 S1_10 Cd4 98.40(19) . . ?
Au21 S1_10 Cd4 108.90(17) . . ?
C6_10 C1_10 C2_10 118.3(11) . . ?
C6_10 C1_10 S1_10 119.8(10) . . ?
C2_10 C1_10 S1_10 122.0(9) . . ?
C1_10 C2_10 C3_10 120.2(12) . . ?
C1_10 C2_10 H2_10 119.9 . . ?
C3_10 C2_10 H2_10 119.9 . . ?
C4_10 C3_10 C2_10 119.5(12) . . ?
C4_10 C3_10 C7_10 121.7(12) . . ?
C2_10 C3_10 C7_10 118.8(12) . . ?
C5_10 C4_10 C3_10 122.0(13) . . ?
C5_10 C4_10 H4_10 119.0 . . ?
C3_10 C4_10 H4_10 119.0 . . ?
C4_10 C5_10 C6_10 118.3(12) . . ?
C4_10 C5_10 C8_10 122.6(13) . . ?
C6_10 C5_10 C8_10 119.1(12) . . ?
C1_10 C6_10 C5_10 121.7(12) . . ?
C1_10 C6_10 H6_10 119.1 . . ?
C5_10 C6_10 H6_10 119.1 . . ?
C3_10 C7_10 H7A_10 109.5 . . ?
C3_10 C7_10 H7B_10 109.5 . . ?
H7A_10 C7_10 H7B_10 109.5 . . ?
C3_10 C7_10 H7C_10 109.5 . . ?
H7A_10 C7_10 H7C_10 109.5 . . ?
H7B_10 C7_10 H7C_10 109.5 . . ?
C5_10 C8_10 H8A_10 109.5 . . ?
C5_10 C8_10 H8B_10 109.5 . . ?
H8A_10 C8_10 H8B_10 109.5 . . ?
C5_10 C8_10 H8C_10 109.5 . . ?
H8A_10 C8_10 H8C_10 109.5 . . ?
H8B_10 C8_10 H8C_10 109.5 . . ?
C1_11 S1_11 Au67 104.9(5) . . ?
C1_11 S1_11 Au31 111.2(3) . . ?
Au67 S1_11 Au31 92.02(15) . . ?
C2_11 C1_11 C6_11 119.2(11) . . ?
C2_11 C1_11 S1_11 119.8(10) . . ?
C6_11 C1_11 S1_11 121.0(10) . . ?
C1_11 C2_11 C3_11 120.6(12) . . ?
C1_11 C2_11 H2_11 119.7 . . ?
C3_11 C2_11 H2_11 119.7 . . ?
C4_11 C3_11 C2_11 118.3(11) . . ?
C4_11 C3_11 C7_11 121.8(12) . . ?
C2_11 C3_11 C7_11 119.9(12) . . ?
C5_11 C4_11 C3_11 122.1(12) . . ?
C5_11 C4_11 H4_11 118.9 . . ?
C3_11 C4_11 H4_11 118.9 . . ?
C4_11 C5_11 C6_11 118.6(12) . . ?
C4_11 C5_11 C8_11 120.5(12) . . ?
C6_11 C5_11 C8_11 121.0(12) . . ?
C5_11 C6_11 C1_11 121.1(12) . . ?
C5_11 C6_11 H6_11 119.4 . . ?
C1_11 C6_11 H6_11 119.4 . . ?
C3_11 C7_11 H7A_11 109.5 . . ?
C3_11 C7_11 H7B_11 109.5 . . ?
H7A_11 C7_11 H7B_11 109.5 . . ?
C3_11 C7_11 H7C_11 109.5 . . ?
H7A_11 C7_11 H7C_11 109.5 . . ?
H7B_11 C7_11 H7C_11 109.5 . . ?
C5_11 C8_11 H8A_11 109.5 . . ?
C5_11 C8_11 H8B_11 109.5 . . ?
H8A_11 C8_11 H8B_11 109.5 . . ?
C5_11 C8_11 H8C_11 109.5 . . ?
H8A_11 C8_11 H8C_11 109.5 . . ?
H8B_11 C8_11 H8C_11 109.5 . . ?
C1_12 S1_12 Au40 96.5(2) . . ?
C1_12 S1_12 Cd5 107.9(4) . . ?
Au40 S1_12 Cd5 74.63(13) . . ?
C2_12 C1_12 C6_12 119.0(11) . . ?
C2_12 C1_12 S1_12 119.7(10) . . ?
C6_12 C1_12 S1_12 121.3(10) . . ?
C1_12 C2_12 C3_12 120.4(12) . . ?
C1_12 C2_12 H2_12 119.8 . . ?
C3_12 C2_12 H2_12 119.8 . . ?
C4_12 C3_12 C2_12 119.9(12) . . ?
C4_12 C3_12 C7_12 119.7(12) . . ?
C2_12 C3_12 C7_12 120.4(13) . . ?
C5_12 C4_12 C3_12 120.9(13) . . ?
C5_12 C4_12 H4_12 119.6 . . ?
C3_12 C4_12 H4_12 119.6 . . ?
C4_12 C5_12 C6_12 119.7(12) . . ?
C4_12 C5_12 C8_12 120.7(12) . . ?
C6_12 C5_12 C8_12 119.6(12) . . ?
C5_12 C6_12 C1_12 120.3(12) . . ?
C5_12 C6_12 H6_12 119.9 . . ?
C1_12 C6_12 H6_12 119.9 . . ?
C3_12 C7_12 H7A_12 109.5 . . ?
C3_12 C7_12 H7B_12 109.5 . . ?
H7A_12 C7_12 H7B_12 109.5 . . ?
C3_12 C7_12 H7C_12 109.5 . . ?
H7A_12 C7_12 H7C_12 109.5 . . ?
H7B_12 C7_12 H7C_12 109.5 . . ?
C5_12 C8_12 H8A_12 109.5 . . ?
C5_12 C8_12 H8B_12 109.5 . . ?
H8A_12 C8_12 H8B_12 109.5 . . ?
C5_12 C8_12 H8C_12 109.5 . . ?
H8A_12 C8_12 H8C_12 109.5 . . ?
H8B_12 C8_12 H8C_12 109.5 . . ?
C1_13 S1_13 Au62 105.7(3) . . ?
C1_13 S1_13 Au57 106.7(5) . . ?
Au62 S1_13 Au57 100.90(17) . . ?
C2_13 C1_13 C6_13 118.8(11) . . ?
C2_13 C1_13 S1_13 118.5(10) . . ?
C6_13 C1_13 S1_13 122.7(10) . . ?
C1_13 C2_13 C3_13 121.5(12) . . ?
C1_13 C2_13 H2_13 119.3 . . ?
C3_13 C2_13 H2_13 119.3 . . ?
C4_13 C3_13 C2_13 118.2(12) . . ?
C4_13 C3_13 C7_13 123.1(13) . . ?
C2_13 C3_13 C7_13 118.7(13) . . ?
C3_13 C4_13 C5_13 122.9(13) . . ?
C3_13 C4_13 H4_13 118.6 . . ?
C5_13 C4_13 H4_13 118.6 . . ?
C4_13 C5_13 C6_13 118.1(12) . . ?
C4_13 C5_13 C8_13 121.5(13) . . ?
C6_13 C5_13 C8_13 120.4(13) . . ?
C1_13 C6_13 C5_13 120.5(12) . . ?
C1_13 C6_13 H6_13 119.7 . . ?
C5_13 C6_13 H6_13 119.7 . . ?
C3_13 C7_13 H7A_13 109.5 . . ?
C3_13 C7_13 H7B_13 109.5 . . ?
H7A_13 C7_13 H7B_13 109.5 . . ?
C3_13 C7_13 H7C_13 109.5 . . ?
H7A_13 C7_13 H7C_13 109.5 . . ?
H7B_13 C7_13 H7C_13 109.5 . . ?
C5_13 C8_13 H8A_13 109.5 . . ?
C5_13 C8_13 H8B_13 109.5 . . ?
H8A_13 C8_13 H8B_13 109.5 . . ?
C5_13 C8_13 H8C_13 109.5 . . ?
H8A_13 C8_13 H8C_13 109.5 . . ?
H8B_13 C8_13 H8C_13 109.5 . . ?
C1_14 S1_14 Au67 106.2(3) . . ?
C1_14 S1_14 Au48 109.5(5) . . ?
Au67 S1_14 Au48 93.80(17) . . ?
C2_14 C1_14 C6_14 119.0(12) . . ?
C2_14 C1_14 S1_14 121.5(10) . . ?
C6_14 C1_14 S1_14 119.4(11) . . ?
C1_14 C2_14 C3_14 121.2(13) . . ?
C1_14 C2_14 H2_14 119.4 . . ?
C3_14 C2_14 H2_14 119.4 . . ?
C4_14 C3_14 C2_14 117.2(13) . . ?
C4_14 C3_14 C7_14 122.7(13) . . ?
C2_14 C3_14 C7_14 120.0(13) . . ?
C3_14 C4_14 C5_14 123.6(14) . . ?
C3_14 C4_14 H4_14 118.2 . . ?
C5_14 C4_14 H4_14 118.2 . . ?
C4_14 C5_14 C6_14 117.7(13) . . ?
C4_14 C5_14 C8_14 122.7(14) . . ?
C6_14 C5_14 C8_14 119.6(14) . . ?
C1_14 C6_14 C5_14 121.3(13) . . ?
C1_14 C6_14 H6_14 119.4 . . ?
C5_14 C6_14 H6_14 119.4 . . ?
C3_14 C7_14 H7A_14 109.5 . . ?
C3_14 C7_14 H7B_14 109.5 . . ?
H7A_14 C7_14 H7B_14 109.5 . . ?
C3_14 C7_14 H7C_14 109.5 . . ?
H7A_14 C7_14 H7C_14 109.5 . . ?
H7B_14 C7_14 H7C_14 109.5 . . ?
C5_14 C8_14 H8A_14 109.5 . . ?
C5_14 C8_14 H8B_14 109.5 . . ?
H8A_14 C8_14 H8B_14 109.5 . . ?
C5_14 C8_14 H8C_14 109.5 . . ?
H8A_14 C8_14 H8C_14 109.5 . . ?
H8B_14 C8_14 H8C_14 109.5 . . ?
C1_15 S1_15 Au25 111.7(4) . . ?
C1_15 S1_15 Au8 106.7(3) . . ?
Au25 S1_15 Au8 96.73(18) . . ?
C2_15 C1_15 C6_15 121.2(11) . . ?
C2_15 C1_15 S1_15 117.1(9) . . ?
C6_15 C1_15 S1_15 121.7(10) . . ?
C1_15 C2_15 C3_15 120.5(12) . . ?
C1_15 C2_15 H2_15 119.7 . . ?
C3_15 C2_15 H2_15 119.7 . . ?
C4_15 C3_15 C2_15 117.7(12) . . ?
C4_15 C3_15 C7_15 124.9(13) . . ?
C2_15 C3_15 C7_15 117.4(12) . . ?
C3_15 C4_15 C5_15 123.5(13) . . ?
C3_15 C4_15 H4_15 118.2 . . ?
C5_15 C4_15 H4_15 118.2 . . ?
C4_15 C5_15 C6_15 118.6(12) . . ?
C4_15 C5_15 C8_15 121.5(13) . . ?
C6_15 C5_15 C8_15 119.9(13) . . ?
C1_15 C6_15 C5_15 118.5(12) . . ?
C1_15 C6_15 H6_15 120.8 . . ?
C5_15 C6_15 H6_15 120.8 . . ?
C3_15 C7_15 H7A_15 109.5 . . ?
C3_15 C7_15 H7B_15 109.5 . . ?
H7A_15 C7_15 H7B_15 109.5 . . ?
C3_15 C7_15 H7C_15 109.5 . . ?
H7A_15 C7_15 H7C_15 109.5 . . ?
H7B_15 C7_15 H7C_15 109.5 . . ?
C5_15 C8_15 H8A_15 109.5 . . ?
C5_15 C8_15 H8B_15 109.5 . . ?
H8A_15 C8_15 H8B_15 109.5 . . ?
C5_15 C8_15 H8C_15 109.5 . . ?
H8A_15 C8_15 H8C_15 109.5 . . ?
H8B_15 C8_15 H8C_15 109.5 . . ?
C1_16 S1_16 Au53 115.5(5) . . ?
C1_16 S1_16 Au39 114.1(2) . . ?
Au53 S1_16 Au39 79.95(13) . . ?
C2_16 C1_16 C6_16 120.1(11) . . ?
C2_16 C1_16 S1_16 119.3(10) . . ?
C6_16 C1_16 S1_16 120.6(10) . . ?
C1_16 C2_16 C3_16 120.5(12) . . ?
C1_16 C2_16 H2_16 119.8 . . ?
C3_16 C2_16 H2_16 119.8 . . ?
C4_16 C3_16 C2_16 117.6(12) . . ?
C4_16 C3_16 C7_16 123.4(13) . . ?
C2_16 C3_16 C7_16 119.0(13) . . ?
C3_16 C4_16 C5_16 123.3(13) . . ?
C3_16 C4_16 H4_16 118.3 . . ?
C5_16 C4_16 H4_16 118.3 . . ?
C4_16 C5_16 C6_16 118.6(12) . . ?
C4_16 C5_16 C8_16 122.7(13) . . ?
C6_16 C5_16 C8_16 118.7(13) . . ?
C1_16 C6_16 C5_16 119.9(12) . . ?
C1_16 C6_16 H6_16 120.1 . . ?
C5_16 C6_16 H6_16 120.1 . . ?
C3_16 C7_16 H7A_16 109.5 . . ?
C3_16 C7_16 H7B_16 109.5 . . ?
H7A_16 C7_16 H7B_16 109.5 . . ?
C3_16 C7_16 H7C_16 109.5 . . ?
H7A_16 C7_16 H7C_16 109.5 . . ?
H7B_16 C7_16 H7C_16 109.5 . . ?
C5_16 C8_16 H8A_16 109.5 . . ?
C5_16 C8_16 H8B_16 109.5 . . ?
H8A_16 C8_16 H8B_16 109.5 . . ?
C5_16 C8_16 H8C_16 109.5 . . ?
H8A_16 C8_16 H8C_16 109.5 . . ?
H8B_16 C8_16 H8C_16 109.5 . . ?
C1_17 S1_17 Au73 107.3(5) . . ?
C1_17 S1_17 Cd4 110.4(2) . . ?
Au73 S1_17 Cd4 97.03(18) . . ?
C2_17 C1_17 C6_17 119.6(11) . . ?
C2_17 C1_17 S1_17 121.6(11) . . ?
C6_17 C1_17 S1_17 118.8(11) . . ?
C1_17 C2_17 C3_17 120.5(13) . . ?
C1_17 C2_17 H2_17 119.7 . . ?
C3_17 C2_17 H2_17 119.7 . . ?
C4_17 C3_17 C2_17 118.8(13) . . ?
C4_17 C3_17 C7_17 120.4(13) . . ?
C2_17 C3_17 C7_17 120.8(13) . . ?
C3_17 C4_17 C5_17 121.4(13) . . ?
C3_17 C4_17 H4_17 119.3 . . ?
C5_17 C4_17 H4_17 119.3 . . ?
C4_17 C5_17 C6_17 119.8(13) . . ?
C4_17 C5_17 C8_17 119.8(13) . . ?
C6_17 C5_17 C8_17 120.3(13) . . ?
C1_17 C6_17 C5_17 119.9(13) . . ?
C1_17 C6_17 H6_17 120.1 . . ?
C5_17 C6_17 H6_17 120.1 . . ?
C3_17 C7_17 H7A_17 109.5 . . ?
C3_17 C7_17 H7B_17 109.5 . . ?
H7A_17 C7_17 H7B_17 109.5 . . ?
C3_17 C7_17 H7C_17 109.5 . . ?
H7A_17 C7_17 H7C_17 109.5 . . ?
H7B_17 C7_17 H7C_17 109.5 . . ?
C5_17 C8_17 H8A_17 109.5 . . ?
C5_17 C8_17 H8B_17 109.5 . . ?
H8A_17 C8_17 H8B_17 109.5 . . ?
C5_17 C8_17 H8C_17 109.5 . . ?
H8A_17 C8_17 H8C_17 109.5 . . ?
H8B_17 C8_17 H8C_17 109.5 . . ?
C1_18 S1_18 Au46 121.6(4) . . ?
C1_18 S1_18 Au49 118.4(3) . . ?
Au46 S1_18 Au49 80.56(15) . . ?
C2_18 C1_18 C6_18 119.3(11) . . ?
C2_18 C1_18 S1_18 119.9(9) . . ?
C6_18 C1_18 S1_18 120.9(9) . . ?
C1_18 C2_18 C3_18 120.2(12) . . ?
C1_18 C2_18 H2_18 119.9 . . ?
C3_18 C2_18 H2_18 119.9 . . ?
C4_18 C3_18 C2_18 119.5(12) . . ?
C4_18 C3_18 C7_18 121.2(12) . . ?
C2_18 C3_18 C7_18 119.3(12) . . ?
C3_18 C4_18 C5_18 121.3(12) . . ?
C3_18 C4_18 H4_18 119.4 . . ?
C5_18 C4_18 H4_18 119.4 . . ?
C4_18 C5_18 C6_18 119.1(12) . . ?
C4_18 C5_18 C8_18 120.5(13) . . ?
C6_18 C5_18 C8_18 120.4(13) . . ?
C1_18 C6_18 C5_18 120.7(12) . . ?
C1_18 C6_18 H6_18 119.7 . . ?
C5_18 C6_18 H6_18 119.7 . . ?
C3_18 C7_18 H7A_18 109.5 . . ?
C3_18 C7_18 H7B_18 109.5 . . ?
H7A_18 C7_18 H7B_18 109.5 . . ?
C3_18 C7_18 H7C_18 109.5 . . ?
H7A_18 C7_18 H7C_18 109.5 . . ?
H7B_18 C7_18 H7C_18 109.5 . . ?
C5_18 C8_18 H8A_18 109.5 . . ?
C5_18 C8_18 H8B_18 109.5 . . ?
H8A_18 C8_18 H8B_18 109.5 . . ?
C5_18 C8_18 H8C_18 109.5 . . ?
H8A_18 C8_18 H8C_18 109.5 . . ?
H8B_18 C8_18 H8C_18 109.5 . . ?
C1_19 S1_19 Au51 103.5(3) . . ?
C1_19 S1_19 Au56 105.8(5) . . ?
Au51 S1_19 Au56 99.86(18) . . ?
C2_19 C1_19 C6_19 118.9(11) . . ?
C2_19 C1_19 S1_19 120.7(9) . . ?
C6_19 C1_19 S1_19 120.5(9) . . ?
C1_19 C2_19 C3_19 121.2(12) . . ?
C1_19 C2_19 H2_19 119.4 . . ?
C3_19 C2_19 H2_19 119.4 . . ?
C4_19 C3_19 C2_19 117.8(11) . . ?
C4_19 C3_19 C7_19 122.0(12) . . ?
C2_19 C3_19 C7_19 120.2(12) . . ?
C3_19 C4_19 C5_19 122.5(12) . . ?
C3_19 C4_19 H4_19 118.8 . . ?
C5_19 C4_19 H4_19 118.8 . . ?
C4_19 C5_19 C6_19 118.9(11) . . ?
C4_19 C5_19 C8_19 122.4(12) . . ?
C6_19 C5_19 C8_19 118.8(12) . . ?
C1_19 C6_19 C5_19 120.8(12) . . ?
C1_19 C6_19 H6_19 119.6 . . ?
C5_19 C6_19 H6_19 119.6 . . ?
C3_19 C7_19 H7A_19 109.5 . . ?
C3_19 C7_19 H7B_19 109.5 . . ?
H7A_19 C7_19 H7B_19 109.5 . . ?
C3_19 C7_19 H7C_19 109.5 . . ?
H7A_19 C7_19 H7C_19 109.5 . . ?
H7B_19 C7_19 H7C_19 109.5 . . ?
C5_19 C8_19 H8A_19 109.5 . . ?
C5_19 C8_19 H8B_19 109.5 . . ?
H8A_19 C8_19 H8B_19 109.5 . . ?
C5_19 C8_19 H8C_19 109.5 . . ?
H8A_19 C8_19 H8C_19 109.5 . . ?
H8B_19 C8_19 H8C_19 109.5 . . ?
C1_20 S1_20 Au51 114.3(5) . . ?
C1_20 S1_20 Cd1 107.5(3) . . ?
Au51 S1_20 Cd1 103.15(19) . . ?
C2_20 C1_20 C6_20 119.8(10) . . ?
C2_20 C1_20 S1_20 117.1(9) . . ?
C6_20 C1_20 S1_20 123.0(10) . . ?
C1_20 C2_20 C3_20 120.6(11) . . ?
C1_20 C2_20 H2_20 119.7 . . ?
C3_20 C2_20 H2_20 119.7 . . ?
C4_20 C3_20 C2_20 118.2(12) . . ?
C4_20 C3_20 C7_20 123.4(12) . . ?
C2_20 C3_20 C7_20 118.4(12) . . ?
C5_20 C4_20 C3_20 123.1(12) . . ?
C5_20 C4_20 H4_20 118.5 . . ?
C3_20 C4_20 H4_20 118.5 . . ?
C4_20 C5_20 C6_20 119.1(11) . . ?
C4_20 C5_20 C8_20 121.2(12) . . ?
C6_20 C5_20 C8_20 119.6(12) . . ?
C1_20 C6_20 C5_20 119.2(12) . . ?
C1_20 C6_20 H6_20 120.4 . . ?
C5_20 C6_20 H6_20 120.4 . . ?
C3_20 C7_20 H7A_20 109.5 . . ?
C3_20 C7_20 H7B_20 109.5 . . ?
H7A_20 C7_20 H7B_20 109.5 . . ?
C3_20 C7_20 H7C_20 109.5 . . ?
H7A_20 C7_20 H7C_20 109.5 . . ?
H7B_20 C7_20 H7C_20 109.5 . . ?
C5_20 C8_20 H8A_20 109.5 . . ?
C5_20 C8_20 H8B_20 109.5 . . ?
H8A_20 C8_20 H8B_20 109.5 . . ?
C5_20 C8_20 H8C_20 109.5 . . ?
H8A_20 C8_20 H8C_20 109.5 . . ?
H8B_20 C8_20 H8C_20 109.5 . . ?
C1_21 S1_21 Au35 109.7(4) . . ?
C1_21 S1_21 Cd1 100.9(2) . . ?
Au35 S1_21 Cd1 92.42(14) . . ?
C2_21 C1_21 C6_21 119.4(10) . . ?
C2_21 C1_21 S1_21 122.3(9) . . ?
C6_21 C1_21 S1_21 118.2(9) . . ?
C1_21 C2_21 C3_21 119.1(11) . . ?
C1_21 C2_21 H2_21 120.4 . . ?
C3_21 C2_21 H2_21 120.4 . . ?
C4_21 C3_21 C2_21 120.3(12) . . ?
C4_21 C3_21 C7_21 123.1(12) . . ?
C2_21 C3_21 C7_21 116.6(11) . . ?
C5_21 C4_21 C3_21 121.2(12) . . ?
C5_21 C4_21 H4_21 119.4 . . ?
C3_21 C4_21 H4_21 119.4 . . ?
C4_21 C5_21 C6_21 117.8(11) . . ?
C4_21 C5_21 C8_21 123.5(12) . . ?
C6_21 C5_21 C8_21 118.7(12) . . ?
C1_21 C6_21 C5_21 122.1(12) . . ?
C1_21 C6_21 H6_21 119.0 . . ?
C5_21 C6_21 H6_21 119.0 . . ?
C3_21 C7_21 H7A_21 109.5 . . ?
C3_21 C7_21 H7B_21 109.5 . . ?
H7A_21 C7_21 H7B_21 109.5 . . ?
C3_21 C7_21 H7C_21 109.5 . . ?
H7A_21 C7_21 H7C_21 109.5 . . ?
H7B_21 C7_21 H7C_21 109.5 . . ?
C5_21 C8_21 H8A_21 109.5 . . ?
C5_21 C8_21 H8B_21 109.5 . . ?
H8A_21 C8_21 H8B_21 109.5 . . ?
C5_21 C8_21 H8C_21 109.5 . . ?
H8A_21 C8_21 H8C_21 109.5 . . ?
H8B_21 C8_21 H8C_21 109.5 . . ?
C1_22 S1_22 Au12 110.1(5) . . ?
C1_22 S1_22 Cd1 98.06(16) . . ?
Au12 S1_22 Cd1 102.46(14) . . ?
C2_22 C1_22 C6_22 119.2(11) . . ?
C2_22 C1_22 S1_22 122.5(9) . . ?
C6_22 C1_22 S1_22 118.2(9) . . ?
C1_22 C2_22 C3_22 122.2(11) . . ?
C1_22 C2_22 H2_22 118.9 . . ?
C3_22 C2_22 H2_22 118.9 . . ?
C4_22 C3_22 C2_22 117.8(12) . . ?
C4_22 C3_22 C7_22 123.8(12) . . ?
C2_22 C3_22 C7_22 118.3(12) . . ?
C3_22 C4_22 C5_22 121.1(12) . . ?
C3_22 C4_22 H4_22 119.4 . . ?
C5_22 C4_22 H4_22 119.4 . . ?
C4_22 C5_22 C6_22 121.1(11) . . ?
C4_22 C5_22 C8_22 121.5(12) . . ?
C6_22 C5_22 C8_22 117.4(12) . . ?
C1_22 C6_22 C5_22 118.5(11) . . ?
C1_22 C6_22 H6_22 120.8 . . ?
C5_22 C6_22 H6_22 120.8 . . ?
C3_22 C7_22 H7A_22 109.5 . . ?
C3_22 C7_22 H7B_22 109.5 . . ?
H7A_22 C7_22 H7B_22 109.5 . . ?
C3_22 C7_22 H7C_22 109.5 . . ?
H7A_22 C7_22 H7C_22 109.5 . . ?
H7B_22 C7_22 H7C_22 109.5 . . ?
C5_22 C8_22 H8A_22 109.5 . . ?
C5_22 C8_22 H8B_22 109.5 . . ?
H8A_22 C8_22 H8B_22 109.5 . . ?
C5_22 C8_22 H8C_22 109.5 . . ?
H8A_22 C8_22 H8C_22 109.5 . . ?
H8B_22 C8_22 H8C_22 109.5 . . ?
C1_23 S1_23 Au6 109.4(4) . . ?
C1_23 S1_23 Cd2 96.88(18) . . ?
Au6 S1_23 Cd2 108.40(15) . . ?
C6_23 C1_23 C2_23 120.4(11) . . ?
C6_23 C1_23 S1_23 122.6(10) . . ?
C2_23 C1_23 S1_23 117.0(9) . . ?
C1_23 C2_23 C3_23 119.7(12) . . ?
C1_23 C2_23 H2_23 120.2 . . ?
C3_23 C2_23 H2_23 120.2 . . ?
C4_23 C3_23 C2_23 119.3(12) . . ?
C4_23 C3_23 C7_23 122.5(12) . . ?
C2_23 C3_23 C7_23 118.2(12) . . ?
C5_23 C4_23 C3_23 122.3(13) . . ?
C5_23 C4_23 H4_23 118.9 . . ?
C3_23 C4_23 H4_23 118.9 . . ?
C4_23 C5_23 C6_23 118.3(12) . . ?
C4_23 C5_23 C8_23 121.6(13) . . ?
C6_23 C5_23 C8_23 120.1(12) . . ?
C1_23 C6_23 C5_23 120.1(12) . . ?
C1_23 C6_23 H6_23 120.0 . . ?
C5_23 C6_23 H6_23 120.0 . . ?
C3_23 C7_23 H7A_23 109.5 . . ?
C3_23 C7_23 H7B_23 109.5 . . ?
H7A_23 C7_23 H7B_23 109.5 . . ?
C3_23 C7_23 H7C_23 109.5 . . ?
H7A_23 C7_23 H7C_23 109.5 . . ?
H7B_23 C7_23 H7C_23 109.5 . . ?
C5_23 C8_23 H8A_23 109.5 . . ?
C5_23 C8_23 H8B_23 109.5 . . ?
H8A_23 C8_23 H8B_23 109.5 . . ?
C5_23 C8_23 H8C_23 109.5 . . ?
H8A_23 C8_23 H8C_23 109.5 . . ?
H8B_23 C8_23 H8C_23 109.5 . . ?
C1_24 S1_24 Au48 110.3(4) . . ?
C1_24 S1_24 Cd2 105.2(2) . . ?
Au48 S1_24 Cd2 108.5(2) . . ?
C2_24 C1_24 C6_24 119.0(10) . . ?
C2_24 C1_24 S1_24 123.5(9) . . ?
C6_24 C1_24 S1_24 117.5(9) . . ?
C1_24 C2_24 C3_24 119.4(11) . . ?
C1_24 C2_24 H2_24 120.3 . . ?
C3_24 C2_24 H2_24 120.3 . . ?
C4_24 C3_24 C2_24 120.7(11) . . ?
C4_24 C3_24 C7_24 119.5(12) . . ?
C2_24 C3_24 C7_24 119.8(11) . . ?
C5_24 C4_24 C3_24 120.5(12) . . ?
C5_24 C4_24 H4_24 119.7 . . ?
C3_24 C4_24 H4_24 119.7 . . ?
C4_24 C5_24 C6_24 119.3(11) . . ?
C4_24 C5_24 C8_24 119.7(12) . . ?
C6_24 C5_24 C8_24 120.9(12) . . ?
C5_24 C6_24 C1_24 121.1(11) . . ?
C5_24 C6_24 H6_24 119.5 . . ?
C1_24 C6_24 H6_24 119.5 . . ?
C3_24 C7_24 H7A_24 109.5 . . ?
C3_24 C7_24 H7B_24 109.5 . . ?
H7A_24 C7_24 H7B_24 109.5 . . ?
C3_24 C7_24 H7C_24 109.5 . . ?
H7A_24 C7_24 H7C_24 109.5 . . ?
H7B_24 C7_24 H7C_24 109.5 . . ?
C5_24 C8_24 H8A_24 109.5 . . ?
C5_24 C8_24 H8B_24 109.5 . . ?
H8A_24 C8_24 H8B_24 109.5 . . ?
C5_24 C8_24 H8C_24 109.5 . . ?
H8A_24 C8_24 H8C_24 109.5 . . ?
H8B_24 C8_24 H8C_24 109.5 . . ?
C1_25 S1_25 Au35 106.5(5) . . ?
C1_25 S1_25 Cd2 106.6(2) . . ?
Au35 S1_25 Cd2 91.24(16) . . ?
C2_25 C1_25 C6_25 119.5(10) . . ?
C2_25 C1_25 S1_25 121.8(9) . . ?
C6_25 C1_25 S1_25 118.7(9) . . ?
C1_25 C2_25 C3_25 121.7(11) . . ?
C1_25 C2_25 H2_25 119.1 . . ?
C3_25 C2_25 H2_25 119.1 . . ?
C4_25 C3_25 C2_25 117.4(11) . . ?
C4_25 C3_25 C7_25 123.3(12) . . ?
C2_25 C3_25 C7_25 119.3(12) . . ?
C3_25 C4_25 C5_25 122.8(12) . . ?
C3_25 C4_25 H4_25 118.6 . . ?
C5_25 C4_25 H4_25 118.6 . . ?
C4_25 C5_25 C6_25 119.6(11) . . ?
C4_25 C5_25 C8_25 122.5(12) . . ?
C6_25 C5_25 C8_25 117.9(12) . . ?
C1_25 C6_25 C5_25 119.1(11) . . ?
C1_25 C6_25 H6_25 120.5 . . ?
C5_25 C6_25 H6_25 120.5 . . ?
C3_25 C7_25 H7A_25 109.5 . . ?
C3_25 C7_25 H7B_25 109.5 . . ?
H7A_25 C7_25 H7B_25 109.5 . . ?
C3_25 C7_25 H7C_25 109.5 . . ?
H7A_25 C7_25 H7C_25 109.5 . . ?
H7B_25 C7_25 H7C_25 109.5 . . ?
C5_25 C8_25 H8A_25 109.5 . . ?
C5_25 C8_25 H8B_25 109.5 . . ?
H8A_25 C8_25 H8B_25 109.5 . . ?
C5_25 C8_25 H8C_25 109.5 . . ?
H8A_25 C8_25 H8C_25 109.5 . . ?
H8B_25 C8_25 H8C_25 109.5 . . ?
C1_26 S1_26 Au33 111.1(4) . . ?
C1_26 S1_26 Cd2 107.2(3) . . ?
Au33 S1_26 Cd2 82.24(14) . . ?
C6_26 C1_26 C2_26 120.4(10) . . ?
C6_26 C1_26 S1_26 122.7(9) . . ?
C2_26 C1_26 S1_26 116.9(9) . . ?
C1_26 C2_26 C3_26 119.3(11) . . ?
C1_26 C2_26 H2_26 120.4 . . ?
C3_26 C2_26 H2_26 120.4 . . ?
C4_26 C3_26 C2_26 120.5(11) . . ?
C4_26 C3_26 C7_26 122.5(11) . . ?
C2_26 C3_26 C7_26 117.1(11) . . ?
C3_26 C4_26 C5_26 120.7(11) . . ?
C3_26 C4_26 H4_26 119.6 . . ?
C5_26 C4_26 H4_26 119.6 . . ?
C4_26 C5_26 C6_26 119.8(11) . . ?
C4_26 C5_26 C8_26 119.8(12) . . ?
C6_26 C5_26 C8_26 120.4(11) . . ?
C1_26 C6_26 C5_26 119.3(11) . . ?
C1_26 C6_26 H6_26 120.3 . . ?
C5_26 C6_26 H6_26 120.3 . . ?
C3_26 C7_26 H7A_26 109.5 . . ?
C3_26 C7_26 H7B_26 109.5 . . ?
H7A_26 C7_26 H7B_26 109.5 . . ?
C3_26 C7_26 H7C_26 109.5 . . ?
H7A_26 C7_26 H7C_26 109.5 . . ?
H7B_26 C7_26 H7C_26 109.5 . . ?
C5_26 C8_26 H8A_26 109.5 . . ?
C5_26 C8_26 H8B_26 109.5 . . ?
H8A_26 C8_26 H8B_26 109.5 . . ?
C5_26 C8_26 H8C_26 109.5 . . ?
H8A_26 C8_26 H8C_26 109.5 . . ?
H8B_26 C8_26 H8C_26 109.5 . . ?
C1_27 S1_27 Au57 108.6(4) . . ?
C1_27 S1_27 Au23 107.4(3) . . ?
Au57 S1_27 Au23 89.85(16) . . ?
C6_27 C1_27 C2_27 120.3(11) . . ?
C6_27 C1_27 S1_27 117.6(10) . . ?
C2_27 C1_27 S1_27 122.1(9) . . ?
C1_27 C2_27 C3_27 119.5(11) . . ?
C1_27 C2_27 H2_27 120.3 . . ?
C3_27 C2_27 H2_27 120.3 . . ?
C4_27 C3_27 C2_27 117.7(11) . . ?
C4_27 C3_27 C7_27 121.2(12) . . ?
C2_27 C3_27 C7_27 121.1(12) . . ?
C3_27 C4_27 C5_27 124.6(11) . . ?
C3_27 C4_27 H4_27 117.7 . . ?
C5_27 C4_27 H4_27 117.7 . . ?
C4_27 C5_27 C6_27 117.2(11) . . ?
C4_27 C5_27 C8_27 121.4(12) . . ?
C6_27 C5_27 C8_27 121.4(13) . . ?
C1_27 C6_27 C5_27 120.7(12) . . ?
C1_27 C6_27 H6_27 119.7 . . ?
C5_27 C6_27 H6_27 119.7 . . ?
C3_27 C7_27 H7A_27 109.5 . . ?
C3_27 C7_27 H7B_27 109.5 . . ?
H7A_27 C7_27 H7B_27 109.5 . . ?
C3_27 C7_27 H7C_27 109.5 . . ?
H7A_27 C7_27 H7C_27 109.5 . . ?
H7B_27 C7_27 H7C_27 109.5 . . ?
C5_27 C8_27 H8A_27 109.5 . . ?
C5_27 C8_27 H8B_27 109.5 . . ?
H8A_27 C8_27 H8B_27 109.5 . . ?
C5_27 C8_27 H8C_27 109.5 . . ?
H8A_27 C8_27 H8C_27 109.5 . . ?
H8B_27 C8_27 H8C_27 109.5 . . ?
C1_28 S1_28 Au63 102.8(4) . . ?
C1_28 S1_28 Cd4 104.1(4) . . ?
Au63 S1_28 Cd4 80.39(15) . . ?
C6_28 C1_28 C2_28 118.0(12) . . ?
C6_28 C1_28 S1_28 120.3(10) . . ?
C2_28 C1_28 S1_28 121.7(11) . . ?
C1_28 C2_28 C3_28 121.2(13) . . ?
C1_28 C2_28 H2_28 119.4 . . ?
C3_28 C2_28 H2_28 119.4 . . ?
C4_28 C3_28 C2_28 119.2(13) . . ?
C4_28 C3_28 C7_28 120.9(13) . . ?
C2_28 C3_28 C7_28 119.9(13) . . ?
C5_28 C4_28 C3_28 120.4(13) . . ?
C5_28 C4_28 H4_28 119.8 . . ?
C3_28 C4_28 H4_28 119.8 . . ?
C4_28 C5_28 C6_28 120.0(13) . . ?
C4_28 C5_28 C8_28 116.8(13) . . ?
C6_28 C5_28 C8_28 123.3(13) . . ?
C1_28 C6_28 C5_28 121.2(13) . . ?
C1_28 C6_28 H6_28 119.4 . . ?
C5_28 C6_28 H6_28 119.4 . . ?
C3_28 C7_28 H7A_28 109.5 . . ?
C3_28 C7_28 H7B_28 109.5 . . ?
H7A_28 C7_28 H7B_28 109.5 . . ?
C3_28 C7_28 H7C_28 109.5 . . ?
H7A_28 C7_28 H7C_28 109.5 . . ?
H7B_28 C7_28 H7C_28 109.5 . . ?
C5_28 C8_28 H8A_28 109.5 . . ?
C5_28 C8_28 H8B_28 109.5 . . ?
H8A_28 C8_28 H8B_28 109.5 . . ?
C5_28 C8_28 H8C_28 109.5 . . ?
H8A_28 C8_28 H8C_28 109.5 . . ?
H8B_28 C8_28 H8C_28 109.5 . . ?
C1_29 S1_29 Au55 110.0(6) . . ?
C1_29 S1_29 Cd4 108.6(3) . . ?
Au55 S1_29 Cd4 104.48(18) . . ?
C2_29 C1_29 C6_29 119.3(11) . . ?
C2_29 C1_29 S1_29 124.9(11) . . ?
C6_29 C1_29 S1_29 115.8(11) . . ?
C1_29 C2_29 C3_29 117.9(13) . . ?
C1_29 C2_29 H2_29 121.1 . . ?
C3_29 C2_29 H2_29 121.1 . . ?
C4_29 C3_29 C2_29 120.1(13) . . ?
C4_29 C3_29 C7_29 122.1(13) . . ?
C2_29 C3_29 C7_29 117.7(13) . . ?
C5_29 C4_29 C3_29 123.4(13) . . ?
C5_29 C4_29 H4_29 118.3 . . ?
C3_29 C4_29 H4_29 118.3 . . ?
C4_29 C5_29 C6_29 115.5(13) . . ?
C4_29 C5_29 C8_29 122.9(13) . . ?
C6_29 C5_29 C8_29 121.6(14) . . ?
C5_29 C6_29 C1_29 123.7(13) . . ?
C5_29 C6_29 H6_29 118.1 . . ?
C1_29 C6_29 H6_29 118.1 . . ?
C3_29 C7_29 H7A_29 109.5 . . ?
C3_29 C7_29 H7B_29 109.5 . . ?
H7A_29 C7_29 H7B_29 109.5 . . ?
C3_29 C7_29 H7C_29 109.5 . . ?
H7A_29 C7_29 H7C_29 109.5 . . ?
H7B_29 C7_29 H7C_29 109.5 . . ?
C5_29 C8_29 H8A_29 109.5 . . ?
C5_29 C8_29 H8B_29 109.5 . . ?
H8A_29 C8_29 H8B_29 109.5 . . ?
C5_29 C8_29 H8C_29 109.5 . . ?
H8A_29 C8_29 H8C_29 109.5 . . ?
H8B_29 C8_29 H8C_29 109.5 . . ?
C1_30 S1_30 Au73 110.5(6) . . ?
C1_30 S1_30 Cd5 104.4(3) . . ?
Au73 S1_30 Cd5 91.63(19) . . ?
C6_30 C1_30 C2_30 120.1(12) . . ?
C6_30 C1_30 S1_30 120.8(11) . . ?
C2_30 C1_30 S1_30 119.1(11) . . ?
C1_30 C2_30 C3_30 119.6(13) . . ?
C1_30 C2_30 H2_30 120.2 . . ?
C3_30 C2_30 H2_30 120.2 . . ?
C4_30 C3_30 C2_30 119.9(14) . . ?
C4_30 C3_30 C7_30 124.3(14) . . ?
C2_30 C3_30 C7_30 115.8(14) . . ?
C3_30 C4_30 C5_30 121.4(14) . . ?
C3_30 C4_30 H4_30 119.3 . . ?
C5_30 C4_30 H4_30 119.3 . . ?
C4_30 C5_30 C6_30 119.0(13) . . ?
C4_30 C5_30 C8_30 120.3(14) . . ?
C6_30 C5_30 C8_30 120.7(14) . . ?
C1_30 C6_30 C5_30 119.9(13) . . ?
C1_30 C6_30 H6_30 120.0 . . ?
C5_30 C6_30 H6_30 120.0 . . ?
C3_30 C7_30 H7A_30 109.5 . . ?
C3_30 C7_30 H7B_30 109.5 . . ?
H7A_30 C7_30 H7B_30 109.5 . . ?
C3_30 C7_30 H7C_30 109.5 . . ?
H7A_30 C7_30 H7C_30 109.5 . . ?
H7B_30 C7_30 H7C_30 109.5 . . ?
C5_30 C8_30 H8A_30 109.5 . . ?
C5_30 C8_30 H8B_30 109.5 . . ?
H8A_30 C8_30 H8B_30 109.5 . . ?
C5_30 C8_30 H8C_30 109.5 . . ?
H8A_30 C8_30 H8C_30 109.5 . . ?
H8B_30 C8_30 H8C_30 109.5 . . ?
C1_31 S1_31 Au62 110.3(6) . . ?
C1_31 S1_31 Cd5 107.8(3) . . ?
Au62 S1_31 Cd5 102.0(2) . . ?
C6_31 C1_31 C2_31 120.9(12) . . ?
C6_31 C1_31 S1_31 121.6(11) . . ?
C2_31 C1_31 S1_31 117.5(11) . . ?
C1_31 C2_31 C3_31 121.3(13) . . ?
C1_31 C2_31 H2_31 119.4 . . ?
C3_31 C2_31 H2_31 119.4 . . ?
C4_31 C3_31 C2_31 116.1(13) . . ?
C4_31 C3_31 C7_31 125.1(15) . . ?
C2_31 C3_31 C7_31 118.8(14) . . ?
C3_31 C4_31 C5_31 124.5(14) . . ?
C3_31 C4_31 H4_31 117.8 . . ?
C5_31 C4_31 H4_31 117.8 . . ?
C4_31 C5_31 C6_31 119.4(13) . . ?
C4_31 C5_31 C8_31 119.8(14) . . ?
C6_31 C5_31 C8_31 120.8(14) . . ?
C1_31 C6_31 C5_31 117.8(13) . . ?
C1_31 C6_31 H6_31 121.1 . . ?
C5_31 C6_31 H6_31 121.1 . . ?
C3_31 C7_31 H7A_31 109.5 . . ?
C3_31 C7_31 H7B_31 109.5 . . ?
H7A_31 C7_31 H7B_31 109.5 . . ?
C3_31 C7_31 H7C_31 109.5 . . ?
H7A_31 C7_31 H7C_31 109.5 . . ?
H7B_31 C7_31 H7C_31 109.5 . . ?
C5_31 C8_31 H8A_31 109.5 . . ?
C5_31 C8_31 H8B_31 109.5 . . ?
H8A_31 C8_31 H8B_31 109.5 . . ?
C5_31 C8_31 H8C_31 109.5 . . ?
H8A_31 C8_31 H8C_31 109.5 . . ?
H8B_31 C8_31 H8C_31 109.5 . . ?
C1_32 S1_32 Au61 104.8(3) . . ?
C1_32 S1_32 Au59 106.3(4) . . ?
Au61 S1_32 Au59 99.07(19) . . ?
C2_32 C1_32 C6_32 120.4(10) . . ?
C2_32 C1_32 S1_32 120.1(9) . . ?
C6_32 C1_32 S1_32 119.4(9) . . ?
C1_32 C2_32 C3_32 119.8(12) . . ?
C1_32 C2_32 H2_32 120.1 . . ?
C3_32 C2_32 H2_32 120.1 . . ?
C4_32 C3_32 C2_32 118.5(12) . . ?
C4_32 C3_32 C7_32 121.2(12) . . ?
C2_32 C3_32 C7_32 120.3(12) . . ?
C3_32 C4_32 C5_32 123.3(12) . . ?
C3_32 C4_32 H4_32 118.3 . . ?
C5_32 C4_32 H4_32 118.3 . . ?
C4_32 C5_32 C6_32 117.2(12) . . ?
C4_32 C5_32 C8_32 122.5(12) . . ?
C6_32 C5_32 C8_32 120.3(12) . . ?
C1_32 C6_32 C5_32 120.7(12) . . ?
C1_32 C6_32 H6_32 119.6 . . ?
C5_32 C6_32 H6_32 119.6 . . ?
C3_32 C7_32 H7A_32 109.5 . . ?
C3_32 C7_32 H7B_32 109.5 . . ?
H7A_32 C7_32 H7B_32 109.5 . . ?
C3_32 C7_32 H7C_32 109.5 . . ?
H7A_32 C7_32 H7C_32 109.5 . . ?
H7B_32 C7_32 H7C_32 109.5 . . ?
C5_32 C8_32 H8A_32 109.5 . . ?
C5_32 C8_32 H8B_32 109.5 . . ?
H8A_32 C8_32 H8B_32 109.5 . . ?
C5_32 C8_32 H8C_32 109.5 . . ?
H8A_32 C8_32 H8C_32 109.5 . . ?
H8B_32 C8_32 H8C_32 109.5 . . ?
C1_33 S1_33 Au61 116.0(6) . . ?
C1_33 S1_33 Cd6 106.7(3) . . ?
Au61 S1_33 Cd6 102.5(2) . . ?
C6_33 C1_33 C2_33 121.0(11) . . ?
C6_33 C1_33 S1_33 121.0(11) . . ?
C2_33 C1_33 S1_33 118.0(10) . . ?
C1_33 C2_33 C3_33 120.2(13) . . ?
C1_33 C2_33 H2_33 119.9 . . ?
C3_33 C2_33 H2_33 119.9 . . ?
C4_33 C3_33 C2_33 118.0(12) . . ?
C4_33 C3_33 C7_33 126.6(13) . . ?
C2_33 C3_33 C7_33 115.4(13) . . ?
C3_33 C4_33 C5_33 121.8(13) . . ?
C3_33 C4_33 H4_33 119.1 . . ?
C5_33 C4_33 H4_33 119.1 . . ?
C4_33 C5_33 C6_33 120.7(13) . . ?
C4_33 C5_33 C8_33 124.6(13) . . ?
C6_33 C5_33 C8_33 114.7(13) . . ?
C1_33 C6_33 C5_33 118.2(12) . . ?
C1_33 C6_33 H6_33 120.9 . . ?
C5_33 C6_33 H6_33 120.9 . . ?
C3_33 C7_33 H7A_33 109.5 . . ?
C3_33 C7_33 H7B_33 109.5 . . ?
H7A_33 C7_33 H7B_33 109.5 . . ?
C3_33 C7_33 H7C_33 109.5 . . ?
H7A_33 C7_33 H7C_33 109.5 . . ?
H7B_33 C7_33 H7C_33 109.5 . . ?
C5_33 C8_33 H8A_33 109.5 . . ?
C5_33 C8_33 H8B_33 109.5 . . ?
H8A_33 C8_33 H8B_33 109.5 . . ?
C5_33 C8_33 H8C_33 109.5 . . ?
H8A_33 C8_33 H8C_33 109.5 . . ?
H8B_33 C8_33 H8C_33 109.5 . . ?
C1_34 S1_34 Au82 105.9(5) . . ?
C1_34 S1_34 Cd6 102.3(3) . . ?
Au82 S1_34 Cd6 89.94(18) . . ?
C2_34 C1_34 C6_34 123.0(13) . . ?
C2_34 C1_34 S1_34 120.2(11) . . ?
C6_34 C1_34 S1_34 116.9(11) . . ?
C1_34 C2_34 C3_34 116.4(13) . . ?
C1_34 C2_34 H2_34 121.8 . . ?
C3_34 C2_34 H2_34 121.8 . . ?
C4_34 C3_34 C2_34 120.1(14) . . ?
C4_34 C3_34 C7_34 124.2(15) . . ?
C2_34 C3_34 C7_34 115.6(14) . . ?
C3_34 C4_34 C5_34 123.2(15) . . ?
C3_34 C4_34 H4_34 118.4 . . ?
C5_34 C4_34 H4_34 118.4 . . ?
C4_34 C5_34 C6_34 118.2(14) . . ?
C4_34 C5_34 C8_34 120.4(15) . . ?
C6_34 C5_34 C8_34 121.4(15) . . ?
C5_34 C6_34 C1_34 119.0(14) . . ?
C5_34 C6_34 H6_34 120.5 . . ?
C1_34 C6_34 H6_34 120.5 . . ?
C3_34 C7_34 H7A_34 109.5 . . ?
C3_34 C7_34 H7B_34 109.5 . . ?
H7A_34 C7_34 H7B_34 109.5 . . ?
C3_34 C7_34 H7C_34 109.5 . . ?
H7A_34 C7_34 H7C_34 109.5 . . ?
H7B_34 C7_34 H7C_34 109.5 . . ?
C5_34 C8_34 H8A_34 109.5 . . ?
C5_34 C8_34 H8B_34 109.5 . . ?
H8A_34 C8_34 H8B_34 109.5 . . ?
C5_34 C8_34 H8C_34 109.5 . . ?
H8A_34 C8_34 H8C_34 109.5 . . ?
H8B_34 C8_34 H8C_34 109.5 . . ?
C1_35 S1_35 Au74 99.7(3) . . ?
C1_35 S1_35 Cd6 106.7(5) . . ?
Au74 S1_35 Cd6 78.39(19) . . ?
C2_35 C1_35 C6_35 119.0(11) . . ?
C2_35 C1_35 S1_35 118.3(10) . . ?
C6_35 C1_35 S1_35 122.7(11) . . ?
C1_35 C2_35 C3_35 121.1(13) . . ?
C1_35 C2_35 H2_35 119.5 . . ?
C3_35 C2_35 H2_35 119.5 . . ?
C4_35 C3_35 C2_35 118.8(13) . . ?
C4_35 C3_35 C7_35 125.6(14) . . ?
C2_35 C3_35 C7_35 115.6(13) . . ?
C3_35 C4_35 C5_35 122.9(13) . . ?
C3_35 C4_35 H4_35 118.6 . . ?
C5_35 C4_35 H4_35 118.6 . . ?
C4_35 C5_35 C6_35 117.4(12) . . ?
C4_35 C5_35 C8_35 119.7(13) . . ?
C6_35 C5_35 C8_35 122.9(13) . . ?
C1_35 C6_35 C5_35 120.8(13) . . ?
C1_35 C6_35 H6_35 119.6 . . ?
C5_35 C6_35 H6_35 119.6 . . ?
C3_35 C7_35 H7A_35 109.5 . . ?
C3_35 C7_35 H7B_35 109.5 . . ?
H7A_35 C7_35 H7B_35 109.5 . . ?
C3_35 C7_35 H7C_35 109.5 . . ?
H7A_35 C7_35 H7C_35 109.5 . . ?
H7B_35 C7_35 H7C_35 109.5 . . ?
C5_35 C8_35 H8A_35 109.5 . . ?
C5_35 C8_35 H8B_35 109.5 . . ?
H8A_35 C8_35 H8B_35 109.5 . . ?
C5_35 C8_35 H8C_35 109.5 . . ?
H8A_35 C8_35 H8C_35 109.5 . . ?
H8B_35 C8_35 H8C_35 109.5 . . ?
C1_36 S1_36 Au59 109.9(5) . . ?
C1_36 S1_36 Au32 112.1(2) . . ?
Au59 S1_36 Au32 94.44(16) . . ?
C2_36 C1_36 C6_36 120.9(10) . . ?
C2_36 C1_36 S1_36 121.6(9) . . ?
C6_36 C1_36 S1_36 117.5(9) . . ?
C1_36 C2_36 C3_36 118.9(11) . . ?
C1_36 C2_36 H2_36 120.5 . . ?
C3_36 C2_36 H2_36 120.5 . . ?
C4_36 C3_36 C2_36 119.5(11) . . ?
C4_36 C3_36 C7_36 123.0(12) . . ?
C2_36 C3_36 C7_36 117.5(11) . . ?
C3_36 C4_36 C5_36 122.6(12) . . ?
C3_36 C4_36 H4_36 118.7 . . ?
C5_36 C4_36 H4_36 118.7 . . ?
C4_36 C5_36 C6_36 118.7(11) . . ?
C4_36 C5_36 C8_36 120.7(12) . . ?
C6_36 C5_36 C8_36 120.6(12) . . ?
C1_36 C6_36 C5_36 119.4(11) . . ?
C1_36 C6_36 H6_36 120.3 . . ?
C5_36 C6_36 H6_36 120.3 . . ?
C3_36 C7_36 H7A_36 109.5 . . ?
C3_36 C7_36 H7B_36 109.5 . . ?
H7A_36 C7_36 H7B_36 109.5 . . ?
C3_36 C7_36 H7C_36 109.5 . . ?
H7A_36 C7_36 H7C_36 109.5 . . ?
H7B_36 C7_36 H7C_36 109.5 . . ?
C5_36 C8_36 H8A_36 109.5 . . ?
C5_36 C8_36 H8B_36 109.5 . . ?
H8A_36 C8_36 H8B_36 109.5 . . ?
C5_36 C8_36 H8C_36 109.5 . . ?
H8A_36 C8_36 H8C_36 109.5 . . ?
H8B_36 C8_36 H8C_36 109.5 . . ?
C1_37 S1_37 Au65 121.9(6) . . ?
C1_37 S1_37 Au66 115.4(4) . . ?
Au65 S1_37 Au66 79.4(2) . . ?
C6_37 C1_37 C2_37 122.7(12) . . ?
C6_37 C1_37 S1_37 119.1(11) . . ?
C2_37 C1_37 S1_37 118.3(12) . . ?
C1_37 C2_37 C3_37 120.0(14) . . ?
C1_37 C2_37 H2_37 120.0 . . ?
C3_37 C2_37 H2_37 120.0 . . ?
C4_37 C3_37 C2_37 117.6(13) . . ?
C4_37 C3_37 C7_37 121.9(14) . . ?
C2_37 C3_37 C7_37 120.5(14) . . ?
C3_37 C4_37 C5_37 122.6(14) . . ?
C3_37 C4_37 H4_37 118.7 . . ?
C5_37 C4_37 H4_37 118.7 . . ?
C4_37 C5_37 C6_37 120.1(14) . . ?
C4_37 C5_37 C8_37 121.2(15) . . ?
C6_37 C5_37 C8_37 118.7(14) . . ?
C1_37 C6_37 C5_37 117.1(13) . . ?
C1_37 C6_37 H6_37 121.5 . . ?
C5_37 C6_37 H6_37 121.5 . . ?
C3_37 C7_37 H7A_37 109.5 . . ?
C3_37 C7_37 H7B_37 109.5 . . ?
H7A_37 C7_37 H7B_37 109.5 . . ?
C3_37 C7_37 H7C_37 109.5 . . ?
H7A_37 C7_37 H7C_37 109.5 . . ?
H7B_37 C7_37 H7C_37 109.5 . . ?
C5_37 C8_37 H8A_37 109.5 . . ?
C5_37 C8_37 H8B_37 109.5 . . ?
H8A_37 C8_37 H8B_37 109.5 . . ?
C5_37 C8_37 H8C_37 109.5 . . ?
H8A_37 C8_37 H8C_37 109.5 . . ?
H8B_37 C8_37 H8C_37 109.5 . . ?
C1_38 S1_38 Au76 104.4(2) . . ?
C1_38 S1_38 Au64 109.2(5) . . ?
Au76 S1_38 Au64 99.88(19) . . ?
C2_38 C1_38 C6_38 120.2(11) . . ?
C2_38 C1_38 S1_38 121.7(10) . . ?
C6_38 C1_38 S1_38 118.1(10) . . ?
C1_38 C2_38 C3_38 118.8(12) . . ?
C1_38 C2_38 H2_38 120.6 . . ?
C3_38 C2_38 H2_38 120.6 . . ?
C4_38 C3_38 C2_38 119.8(12) . . ?
C4_38 C3_38 C7_38 122.6(13) . . ?
C2_38 C3_38 C7_38 117.6(12) . . ?
C5_38 C4_38 C3_38 121.2(13) . . ?
C5_38 C4_38 H4_38 119.4 . . ?
C3_38 C4_38 H4_38 119.4 . . ?
C4_38 C5_38 C6_38 119.9(12) . . ?
C4_38 C5_38 C8_38 121.8(13) . . ?
C6_38 C5_38 C8_38 118.4(13) . . ?
C5_38 C6_38 C1_38 120.1(12) . . ?
C5_38 C6_38 H6_38 119.9 . . ?
C1_38 C6_38 H6_38 119.9 . . ?
C3_38 C7_38 H7A_38 109.5 . . ?
C3_38 C7_38 H7B_38 109.5 . . ?
H7A_38 C7_38 H7B_38 109.5 . . ?
C3_38 C7_38 H7C_38 109.5 . . ?
H7A_38 C7_38 H7C_38 109.5 . . ?
H7B_38 C7_38 H7C_38 109.5 . . ?
C5_38 C8_38 H8A_38 109.5 . . ?
C5_38 C8_38 H8B_38 109.5 . . ?
H8A_38 C8_38 H8B_38 109.5 . . ?
C5_38 C8_38 H8C_38 109.5 . . ?
H8A_38 C8_38 H8C_38 109.5 . . ?
H8B_38 C8_38 H8C_38 109.5 . . ?
C1_39 S1_39 Au64 106.5(5) . . ?
C1_39 S1_39 Au22 110.4(3) . . ?
Au64 S1_39 Au22 94.3(2) . . ?
C6_39 C1_39 C2_39 116.4(11) . . ?
C6_39 C1_39 S1_39 121.1(10) . . ?
C2_39 C1_39 S1_39 122.6(10) . . ?
C1_39 C2_39 C3_39 121.0(12) . . ?
C1_39 C2_39 H2_39 119.5 . . ?
C3_39 C2_39 H2_39 119.5 . . ?
C4_39 C3_39 C2_39 120.5(12) . . ?
C4_39 C3_39 C7_39 123.1(14) . . ?
C2_39 C3_39 C7_39 116.4(13) . . ?
C3_39 C4_39 C5_39 119.9(13) . . ?
C3_39 C4_39 H4_39 120.1 . . ?
C5_39 C4_39 H4_39 120.1 . . ?
C4_39 C5_39 C6_39 118.3(12) . . ?
C4_39 C5_39 C8_39 124.5(14) . . ?
C6_39 C5_39 C8_39 117.1(13) . . ?
C1_39 C6_39 C5_39 124.0(13) . . ?
C1_39 C6_39 H6_39 118.0 . . ?
C5_39 C6_39 H6_39 118.0 . . ?
C3_39 C7_39 H7A_39 109.5 . . ?
C3_39 C7_39 H7B_39 109.5 . . ?
H7A_39 C7_39 H7B_39 109.5 . . ?
C3_39 C7_39 H7C_39 109.5 . . ?
H7A_39 C7_39 H7C_39 109.5 . . ?
H7B_39 C7_39 H7C_39 109.5 . . ?
C5_39 C8_39 H8A_39 109.5 . . ?
C5_39 C8_39 H8B_39 109.5 . . ?
H8A_39 C8_39 H8B_39 109.5 . . ?
C5_39 C8_39 H8C_39 109.5 . . ?
H8A_39 C8_39 H8C_39 109.5 . . ?
H8B_39 C8_39 H8C_39 109.5 . . ?
C1_40 S1_40 Au95 102.0(4) . . ?
C1_40 S1_40 Cd10 103.2(5) . . ?
Au95 S1_40 Cd10 80.65(18) . . ?
C2_40 C1_40 C6_40 120.5(12) . . ?
C2_40 C1_40 S1_40 121.1(11) . . ?
C6_40 C1_40 S1_40 118.4(11) . . ?
C1_40 C2_40 C3_40 120.3(13) . . ?
C1_40 C2_40 H2_40 119.8 . . ?
C3_40 C2_40 H2_40 119.8 . . ?
C4_40 C3_40 C2_40 119.1(12) . . ?
C4_40 C3_40 C7_40 122.2(13) . . ?
C2_40 C3_40 C7_40 118.7(13) . . ?
C5_40 C4_40 C3_40 120.4(13) . . ?
C5_40 C4_40 H4_40 119.8 . . ?
C3_40 C4_40 H4_40 119.8 . . ?
C4_40 C5_40 C6_40 121.5(13) . . ?
C4_40 C5_40 C8_40 119.9(13) . . ?
C6_40 C5_40 C8_40 118.6(13) . . ?
C1_40 C6_40 C5_40 118.3(12) . . ?
C1_40 C6_40 H6_40 120.9 . . ?
C5_40 C6_40 H6_40 120.9 . . ?
C3_40 C7_40 H7A_40 109.5 . . ?
C3_40 C7_40 H7B_40 109.5 . . ?
H7A_40 C7_40 H7B_40 109.5 . . ?
C3_40 C7_40 H7C_40 109.5 . . ?
H7A_40 C7_40 H7C_40 109.5 . . ?
H7B_40 C7_40 H7C_40 109.5 . . ?
C5_40 C8_40 H8A_40 109.5 . . ?
C5_40 C8_40 H8B_40 109.5 . . ?
H8A_40 C8_40 H8B_40 109.5 . . ?
C5_40 C8_40 H8C_40 109.5 . . ?
H8A_40 C8_40 H8C_40 109.5 . . ?
H8B_40 C8_40 H8C_40 109.5 . . ?
C1_41 S1_41 Au76 107.8(6) . . ?
C1_41 S1_41 Cd10 110.8(4) . . ?
Au76 S1_41 Cd10 100.5(2) . . ?
C2_41 C1_41 C6_41 119.2(12) . . ?
C2_41 C1_41 S1_41 119.4(11) . . ?
C6_41 C1_41 S1_41 121.3(11) . . ?
C1_41 C2_41 C3_41 119.5(13) . . ?
C1_41 C2_41 H2_41 120.3 . . ?
C3_41 C2_41 H2_41 120.3 . . ?
C4_41 C3_41 C2_41 119.8(13) . . ?
C4_41 C3_41 C7_41 120.7(14) . . ?
C2_41 C3_41 C7_41 119.5(14) . . ?
C3_41 C4_41 C5_41 121.0(14) . . ?
C3_41 C4_41 H4_41 119.5 . . ?
C5_41 C4_41 H4_41 119.5 . . ?
C4_41 C5_41 C6_41 120.4(13) . . ?
C4_41 C5_41 C8_41 117.8(13) . . ?
C6_41 C5_41 C8_41 121.8(14) . . ?
C5_41 C6_41 C1_41 120.2(13) . . ?
C5_41 C6_41 H6_41 119.9 . . ?
C1_41 C6_41 H6_41 119.9 . . ?
C3_41 C7_41 H7A_41 109.5 . . ?
C3_41 C7_41 H7B_41 109.5 . . ?
H7A_41 C7_41 H7B_41 109.5 . . ?
C3_41 C7_41 H7C_41 109.5 . . ?
H7A_41 C7_41 H7C_41 109.5 . . ?
H7B_41 C7_41 H7C_41 109.5 . . ?
C5_41 C8_41 H8A_41 109.5 . . ?
C5_41 C8_41 H8B_41 109.5 . . ?
H8A_41 C8_41 H8B_41 109.5 . . ?
C5_41 C8_41 H8C_41 109.5 . . ?
H8A_41 C8_41 H8C_41 109.5 . . ?
H8B_41 C8_41 H8C_41 109.5 . . ?
C1_42 S1_42 Au54 106.8(5) . . ?
C1_42 S1_42 Au30 108.1(2) . . ?
Au54 S1_42 Au30 92.49(15) . . ?
C2_42 C1_42 C6_42 119.0(11) . . ?
C2_42 C1_42 S1_42 118.0(10) . . ?
C6_42 C1_42 S1_42 123.0(10) . . ?
C1_42 C2_42 C3_42 120.7(12) . . ?
C1_42 C2_42 H2_42 119.6 . . ?
C3_42 C2_42 H2_42 119.6 . . ?
C4_42 C3_42 C2_42 119.2(12) . . ?
C4_42 C3_42 C7_42 121.9(13) . . ?
C2_42 C3_42 C7_42 118.9(13) . . ?
C3_42 C4_42 C5_42 121.9(13) . . ?
C3_42 C4_42 H4_42 119.0 . . ?
C5_42 C4_42 H4_42 119.0 . . ?
C4_42 C5_42 C6_42 118.2(12) . . ?
C4_42 C5_42 C8_42 122.0(12) . . ?
C6_42 C5_42 C8_42 119.7(12) . . ?
C1_42 C6_42 C5_42 121.0(12) . . ?
C1_42 C6_42 H6_42 119.5 . . ?
C5_42 C6_42 H6_42 119.5 . . ?
C3_42 C7_42 H7A_42 109.5 . . ?
C3_42 C7_42 H7B_42 109.5 . . ?
H7A_42 C7_42 H7B_42 109.5 . . ?
C3_42 C7_42 H7C_42 109.5 . . ?
H7A_42 C7_42 H7C_42 109.5 . . ?
H7B_42 C7_42 H7C_42 109.5 . . ?
C5_42 C8_42 H8A_42 109.5 . . ?
C5_42 C8_42 H8B_42 109.5 . . ?
H8A_42 C8_42 H8B_42 109.5 . . ?
C5_42 C8_42 H8C_42 109.5 . . ?
H8A_42 C8_42 H8C_42 109.5 . . ?
H8B_42 C8_42 H8C_42 109.5 . . ?
C1_43 S1_43 Au1K 103.3(6) . . ?
C1_43 S1_43 Cd10 112.2(4) . . ?
Au1K S1_43 Cd10 96.4(2) . . ?
C6_43 C1_43 C2_43 120.2(13) . . ?
C6_43 C1_43 S1_43 120.7(12) . . ?
C2_43 C1_43 S1_43 119.1(12) . . ?
C1_43 C2_43 C3_43 118.1(14) . . ?
C1_43 C2_43 H2_43 121.0 . . ?
C3_43 C2_43 H2_43 121.0 . . ?
C4_43 C3_43 C2_43 121.1(14) . . ?
C4_43 C3_43 C7_43 118.8(15) . . ?
C2_43 C3_43 C7_43 120.1(15) . . ?
C3_43 C4_43 C5_43 121.9(15) . . ?
C3_43 C4_43 H4_43 119.0 . . ?
C5_43 C4_43 H4_43 119.0 . . ?
C4_43 C5_43 C6_43 117.9(14) . . ?
C4_43 C5_43 C8_43 121.1(15) . . ?
C6_43 C5_43 C8_43 121.1(15) . . ?
C1_43 C6_43 C5_43 120.9(14) . . ?
C1_43 C6_43 H6_43 119.6 . . ?
C5_43 C6_43 H6_43 119.6 . . ?
C3_43 C7_43 H7A_43 109.5 . . ?
C3_43 C7_43 H7B_43 109.5 . . ?
H7A_43 C7_43 H7B_43 109.5 . . ?
C3_43 C7_43 H7C_43 109.5 . . ?
H7A_43 C7_43 H7C_43 109.5 . . ?
H7B_43 C7_43 H7C_43 109.5 . . ?
C5_43 C8_43 H8A_43 109.5 . . ?
C5_43 C8_43 H8B_43 109.5 . . ?
H8A_43 C8_43 H8B_43 109.5 . . ?
C5_43 C8_43 H8C_43 109.5 . . ?
H8A_43 C8_43 H8C_43 109.5 . . ?
H8B_43 C8_43 H8C_43 109.5 . . ?
C1_44 S1_44 Au79 109.6(6) . . ?
C1_44 S1_44 Cd7 107.5(3) . . ?
Au79 S1_44 Cd7 99.1(2) . . ?
C2_44 C1_44 C6_44 120.2(12) . . ?
C2_44 C1_44 S1_44 118.7(11) . . ?
C6_44 C1_44 S1_44 121.0(11) . . ?
C1_44 C2_44 C3_44 118.7(13) . . ?
C1_44 C2_44 H2_44 120.6 . . ?
C3_44 C2_44 H2_44 120.6 . . ?
C4_44 C3_44 C2_44 120.5(13) . . ?
C4_44 C3_44 C7_44 120.9(14) . . ?
C2_44 C3_44 C7_44 118.6(14) . . ?
C5_44 C4_44 C3_44 121.3(14) . . ?
C5_44 C4_44 H4_44 119.3 . . ?
C3_44 C4_44 H4_44 119.3 . . ?
C4_44 C5_44 C6_44 119.4(13) . . ?
C4_44 C5_44 C8_44 121.7(15) . . ?
C6_44 C5_44 C8_44 118.9(14) . . ?
C1_44 C6_44 C5_44 119.8(13) . . ?
C1_44 C6_44 H6_44 120.1 . . ?
C5_44 C6_44 H6_44 120.1 . . ?
C3_44 C7_44 H7A_44 109.5 . . ?
C3_44 C7_44 H7B_44 109.5 . . ?
H7A_44 C7_44 H7B_44 109.5 . . ?
C3_44 C7_44 H7C_44 109.5 . . ?
H7A_44 C7_44 H7C_44 109.5 . . ?
H7B_44 C7_44 H7C_44 109.5 . . ?
C5_44 C8_44 H8A_44 109.5 . . ?
C5_44 C8_44 H8B_44 109.5 . . ?
H8A_44 C8_44 H8B_44 109.5 . . ?
C5_44 C8_44 H8C_44 109.5 . . ?
H8A_44 C8_44 H8C_44 109.5 . . ?
H8B_44 C8_44 H8C_44 109.5 . . ?
C1_45 S1_45 Au47 107.9(4) . . ?
C1_45 S1_45 Cd7 100.7(3) . . ?
Au47 S1_45 Cd7 107.76(17) . . ?
C6_45 C1_45 C2_45 121.2(11) . . ?
C6_45 C1_45 S1_45 119.3(9) . . ?
C2_45 C1_45 S1_45 119.5(9) . . ?
C1_45 C2_45 C3_45 119.1(11) . . ?
C1_45 C2_45 H2_45 120.5 . . ?
C3_45 C2_45 H2_45 120.5 . . ?
C4_45 C3_45 C2_45 118.1(11) . . ?
C4_45 C3_45 C7_45 124.7(12) . . ?
C2_45 C3_45 C7_45 117.2(12) . . ?
C3_45 C4_45 C5_45 123.9(12) . . ?
C3_45 C4_45 H4_45 118.1 . . ?
C5_45 C4_45 H4_45 118.1 . . ?
C4_45 C5_45 C6_45 118.0(11) . . ?
C4_45 C5_45 C8_45 120.8(12) . . ?
C6_45 C5_45 C8_45 121.2(12) . . ?
C1_45 C6_45 C5_45 119.8(11) . . ?
C1_45 C6_45 H6_45 120.1 . . ?
C5_45 C6_45 H6_45 120.1 . . ?
C3_45 C7_45 H7A_45 109.5 . . ?
C3_45 C7_45 H7B_45 109.5 . . ?
H7A_45 C7_45 H7B_45 109.5 . . ?
C3_45 C7_45 H7C_45 109.5 . . ?
H7A_45 C7_45 H7C_45 109.5 . . ?
H7B_45 C7_45 H7C_45 109.5 . . ?
C5_45 C8_45 H8A_45 109.5 . . ?
C5_45 C8_45 H8B_45 109.5 . . ?
H8A_45 C8_45 H8B_45 109.5 . . ?
C5_45 C8_45 H8C_45 109.5 . . ?
H8A_45 C8_45 H8C_45 109.5 . . ?
H8B_45 C8_45 H8C_45 109.5 . . ?
C1_46 S1_46 Au44 106.8(5) . . ?
C1_46 S1_46 Cd10 102.0(3) . . ?
Au44 S1_46 Cd10 108.5(2) . . ?
C2_46 C1_46 C6_46 118.8(11) . . ?
C2_46 C1_46 S1_46 123.9(10) . . ?
C6_46 C1_46 S1_46 117.4(10) . . ?
C1_46 C2_46 C3_46 121.4(12) . . ?
C1_46 C2_46 H2_46 119.3 . . ?
C3_46 C2_46 H2_46 119.3 . . ?
C4_46 C3_46 C2_46 119.8(13) . . ?
C4_46 C3_46 C7_46 121.7(13) . . ?
C2_46 C3_46 C7_46 118.5(13) . . ?
C3_46 C4_46 C5_46 120.1(13) . . ?
C3_46 C4_46 H4_46 119.9 . . ?
C5_46 C4_46 H4_46 119.9 . . ?
C4_46 C5_46 C6_46 120.8(13) . . ?
C4_46 C5_46 C8_46 118.4(14) . . ?
C6_46 C5_46 C8_46 120.7(14) . . ?
C5_46 C6_46 C1_46 119.1(13) . . ?
C5_46 C6_46 H6_46 120.5 . . ?
C1_46 C6_46 H6_46 120.5 . . ?
C3_46 C7_46 H7A_46 109.5 . . ?
C3_46 C7_46 H7B_46 109.5 . . ?
H7A_46 C7_46 H7B_46 109.5 . . ?
C3_46 C7_46 H7C_46 109.5 . . ?
H7A_46 C7_46 H7C_46 109.5 . . ?
H7B_46 C7_46 H7C_46 109.5 . . ?
C5_46 C8_46 H8A_46 109.5 . . ?
C5_46 C8_46 H8B_46 109.5 . . ?
H8A_46 C8_46 H8B_46 109.5 . . ?
C5_46 C8_46 H8C_46 109.5 . . ?
H8A_46 C8_46 H8C_46 109.5 . . ?
H8B_46 C8_46 H8C_46 109.5 . . ?
C1_47 S1_47 Au68 100.2(4) . . ?
C1_47 S1_47 Cd7 108.4(4) . . ?
Au68 S1_47 Cd7 77.04(14) . . ?
C2_47 C1_47 C6_47 120.1(12) . . ?
C2_47 C1_47 S1_47 120.6(11) . . ?
C6_47 C1_47 S1_47 119.3(11) . . ?
C1_47 C2_47 C3_47 119.9(13) . . ?
C1_47 C2_47 H2_47 120.0 . . ?
C3_47 C2_47 H2_47 120.0 . . ?
C4_47 C3_47 C2_47 119.0(13) . . ?
C4_47 C3_47 C7_47 122.3(14) . . ?
C2_47 C3_47 C7_47 118.8(14) . . ?
C3_47 C4_47 C5_47 122.3(14) . . ?
C3_47 C4_47 H4_47 118.8 . . ?
C5_47 C4_47 H4_47 118.8 . . ?
C4_47 C5_47 C6_47 118.9(13) . . ?
C4_47 C5_47 C8_47 121.6(14) . . ?
C6_47 C5_47 C8_47 119.5(14) . . ?
C1_47 C6_47 C5_47 119.8(13) . . ?
C1_47 C6_47 H6_47 120.1 . . ?
C5_47 C6_47 H6_47 120.1 . . ?
C3_47 C7_47 H7A_47 109.5 . . ?
C3_47 C7_47 H7B_47 109.5 . . ?
H7A_47 C7_47 H7B_47 109.5 . . ?
C3_47 C7_47 H7C_47 109.5 . . ?
H7A_47 C7_47 H7C_47 109.5 . . ?
H7B_47 C7_47 H7C_47 109.5 . . ?
C5_47 C8_47 H8A_47 109.5 . . ?
C5_47 C8_47 H8B_47 109.5 . . ?
H8A_47 C8_47 H8B_47 109.5 . . ?
C5_47 C8_47 H8C_47 109.5 . . ?
H8A_47 C8_47 H8C_47 109.5 . . ?
H8B_47 C8_47 H8C_47 109.5 . . ?
C1_48 S1_48 Au52 108.1(5) . . ?
C1_48 S1_48 Au42 112.1(2) . . ?
Au52 S1_48 Au42 92.98(15) . . ?
C2_48 C1_48 C6_48 120.4(11) . . ?
C2_48 C1_48 S1_48 118.9(10) . . ?
C6_48 C1_48 S1_48 120.7(10) . . ?
C1_48 C2_48 C3_48 118.6(12) . . ?
C1_48 C2_48 H2_48 120.7 . . ?
C3_48 C2_48 H2_48 120.7 . . ?
C4_48 C3_48 C2_48 120.1(12) . . ?
C4_48 C3_48 C7_48 118.9(13) . . ?
C2_48 C3_48 C7_48 121.0(13) . . ?
C3_48 C4_48 C5_48 121.9(13) . . ?
C3_48 C4_48 H4_48 119.1 . . ?
C5_48 C4_48 H4_48 119.1 . . ?
C4_48 C5_48 C6_48 117.8(12) . . ?
C4_48 C5_48 C8_48 123.0(13) . . ?
C6_48 C5_48 C8_48 119.2(12) . . ?
C1_48 C6_48 C5_48 121.2(12) . . ?
C1_48 C6_48 H6_48 119.4 . . ?
C5_48 C6_48 H6_48 119.4 . . ?
C3_48 C7_48 H7A_48 109.5 . . ?
C3_48 C7_48 H7B_48 109.5 . . ?
H7A_48 C7_48 H7B_48 109.5 . . ?
C3_48 C7_48 H7C_48 109.5 . . ?
H7A_48 C7_48 H7C_48 109.5 . . ?
H7B_48 C7_48 H7C_48 109.5 . . ?
C5_48 C8_48 H8A_48 109.5 . . ?
C5_48 C8_48 H8B_48 109.5 . . ?
H8A_48 C8_48 H8B_48 109.5 . . ?
C5_48 C8_48 H8C_48 109.5 . . ?
H8A_48 C8_48 H8C_48 109.5 . . ?
H8B_48 C8_48 H8C_48 109.5 . . ?
C1_49 S1_49 Au52 108.0(4) . . ?
C1_49 S1_49 Au36 108.4(3) . . ?
Au52 S1_49 Au36 102.65(16) . . ?
C2_49 C1_49 C6_49 119.7(10) . . ?
C2_49 C1_49 S1_49 122.8(9) . . ?
C6_49 C1_49 S1_49 117.5(8) . . ?
C1_49 C2_49 C3_49 118.2(11) . . ?
C1_49 C2_49 H2_49 120.9 . . ?
C3_49 C2_49 H2_49 120.9 . . ?
C4_49 C3_49 C2_49 121.6(11) . . ?
C4_49 C3_49 C7_49 118.9(12) . . ?
C2_49 C3_49 C7_49 119.4(12) . . ?
C3_49 C4_49 C5_49 121.5(12) . . ?
C3_49 C4_49 H4_49 119.2 . . ?
C5_49 C4_49 H4_49 119.2 . . ?
C4_49 C5_49 C6_49 117.8(12) . . ?
C4_49 C5_49 C8_49 123.6(12) . . ?
C6_49 C5_49 C8_49 118.6(12) . . ?
C5_49 C6_49 C1_49 121.2(11) . . ?
C5_49 C6_49 H6_49 119.4 . . ?
C1_49 C6_49 H6_49 119.4 . . ?
C3_49 C7_49 H7A_49 109.5 . . ?
C3_49 C7_49 H7B_49 109.5 . . ?
H7A_49 C7_49 H7B_49 109.5 . . ?
C3_49 C7_49 H7C_49 109.5 . . ?
H7A_49 C7_49 H7C_49 109.5 . . ?
H7B_49 C7_49 H7C_49 109.5 . . ?
C5_49 C8_49 H8A_49 109.5 . . ?
C5_49 C8_49 H8B_49 109.5 . . ?
H8A_49 C8_49 H8B_49 109.5 . . ?
C5_49 C8_49 H8C_49 109.5 . . ?
H8A_49 C8_49 H8C_49 109.5 . . ?
H8B_49 C8_49 H8C_49 109.5 . . ?
C1_50 S1_50 Au54 105.0(4) . . ?
C1_50 S1_50 Au14 106.96(19) . . ?
Au54 S1_50 Au14 93.33(17) . . ?
C2_50 C1_50 C6_50 120.8(10) . . ?
C2_50 C1_50 S1_50 122.5(9) . . ?
C6_50 C1_50 S1_50 116.7(8) . . ?
C1_50 C2_50 C3_50 120.8(11) . . ?
C1_50 C2_50 H2_50 119.6 . . ?
C3_50 C2_50 H2_50 119.6 . . ?
C4_50 C3_50 C2_50 116.7(11) . . ?
C4_50 C3_50 C7_50 124.1(11) . . ?
C2_50 C3_50 C7_50 119.1(12) . . ?
C5_50 C4_50 C3_50 123.9(12) . . ?
C5_50 C4_50 H4_50 118.0 . . ?
C3_50 C4_50 H4_50 118.0 . . ?
C4_50 C5_50 C6_50 118.9(11) . . ?
C4_50 C5_50 C8_50 122.6(11) . . ?
C6_50 C5_50 C8_50 118.4(11) . . ?
C1_50 C6_50 C5_50 118.7(11) . . ?
C1_50 C6_50 H6_50 120.6 . . ?
C5_50 C6_50 H6_50 120.6 . . ?
C3_50 C7_50 H7A_50 109.5 . . ?
C3_50 C7_50 H7B_50 109.5 . . ?
H7A_50 C7_50 H7B_50 109.5 . . ?
C3_50 C7_50 H7C_50 109.5 . . ?
H7A_50 C7_50 H7C_50 109.5 . . ?
H7B_50 C7_50 H7C_50 109.5 . . ?
C5_50 C8_50 H8A_50 109.5 . . ?
C5_50 C8_50 H8B_50 109.5 . . ?
H8A_50 C8_50 H8B_50 109.5 . . ?
C5_50 C8_50 H8C_50 109.5 . . ?
H8A_50 C8_50 H8C_50 109.5 . . ?
H8B_50 C8_50 H8C_50 109.5 . . ?
C1_51 S1_51 Au58 106.0(5) . . ?
C1_51 S1_51 Au34 104.53(17) . . ?
Au58 S1_51 Au34 88.60(17) . . ?
C6_51 C1_51 C2_51 120.0(10) . . ?
C6_51 C1_51 S1_51 123.0(10) . . ?
C2_51 C1_51 S1_51 117.1(9) . . ?
C1_51 C2_51 C3_51 118.4(12) . . ?
C1_51 C2_51 H2_51 120.8 . . ?
C3_51 C2_51 H2_51 120.8 . . ?
C4_51 C3_51 C2_51 120.4(12) . . ?
C4_51 C3_51 C7_51 122.3(13) . . ?
C2_51 C3_51 C7_51 117.3(12) . . ?
C5_51 C4_51 C3_51 122.8(13) . . ?
C5_51 C4_51 H4_51 118.6 . . ?
C3_51 C4_51 H4_51 118.6 . . ?
C4_51 C5_51 C6_51 116.5(11) . . ?
C4_51 C5_51 C8_51 123.6(12) . . ?
C6_51 C5_51 C8_51 119.9(12) . . ?
C1_51 C6_51 C5_51 121.9(11) . . ?
C1_51 C6_51 H6_51 119.0 . . ?
C5_51 C6_51 H6_51 119.0 . . ?
C3_51 C7_51 H7A_51 109.5 . . ?
C3_51 C7_51 H7B_51 109.5 . . ?
H7A_51 C7_51 H7B_51 109.5 . . ?
C3_51 C7_51 H7C_51 109.5 . . ?
H7A_51 C7_51 H7C_51 109.5 . . ?
H7B_51 C7_51 H7C_51 109.5 . . ?
C5_51 C8_51 H8A_51 109.5 . . ?
C5_51 C8_51 H8B_51 109.5 . . ?
H8A_51 C8_51 H8B_51 109.5 . . ?
C5_51 C8_51 H8C_51 109.5 . . ?
H8A_51 C8_51 H8C_51 109.5 . . ?
H8B_51 C8_51 H8C_51 109.5 . . ?
C1_52 S1_52 Au11 108.6(4) . . ?
C1_52 S1_52 Cd6 99.83(17) . . ?
Au11 S1_52 Cd6 105.98(16) . . ?
C2_52 C1_52 C6_52 118.1(10) . . ?
C2_52 C1_52 S1_52 122.6(9) . . ?
C6_52 C1_52 S1_52 119.3(9) . . ?
C1_52 C2_52 C3_52 121.4(11) . . ?
C1_52 C2_52 H2_52 119.3 . . ?
C3_52 C2_52 H2_52 119.3 . . ?
C4_52 C3_52 C2_52 119.1(12) . . ?
C4_52 C3_52 C7_52 120.7(12) . . ?
C2_52 C3_52 C7_52 120.2(11) . . ?
C3_52 C4_52 C5_52 121.0(12) . . ?
C3_52 C4_52 H4_52 119.5 . . ?
C5_52 C4_52 H4_52 119.5 . . ?
C6_52 C5_52 C4_52 119.2(11) . . ?
C6_52 C5_52 C8_52 118.6(12) . . ?
C4_52 C5_52 C8_52 122.1(12) . . ?
C5_52 C6_52 C1_52 121.1(12) . . ?
C5_52 C6_52 H6_52 119.5 . . ?
C1_52 C6_52 H6_52 119.5 . . ?
C3_52 C7_52 H7A_52 109.5 . . ?
C3_52 C7_52 H7B_52 109.5 . . ?
H7A_52 C7_52 H7B_52 109.5 . . ?
C3_52 C7_52 H7C_52 109.5 . . ?
H7A_52 C7_52 H7C_52 109.5 . . ?
H7B_52 C7_52 H7C_52 109.5 . . ?
C5_52 C8_52 H8A_52 109.5 . . ?
C5_52 C8_52 H8B_52 109.5 . . ?
H8A_52 C8_52 H8B_52 109.5 . . ?
C5_52 C8_52 H8C_52 109.5 . . ?
H8A_52 C8_52 H8C_52 109.5 . . ?
H8B_52 C8_52 H8C_52 109.5 . . ?
C1_53 S1_53 Au37 110.2(4) . . ?
C1_53 S1_53 Cd3 108.43(19) . . ?
Au37 S1_53 Cd3 80.01(14) . . ?
C2_53 C1_53 C6_53 119.5(10) . . ?
C2_53 C1_53 S1_53 116.4(9) . . ?
C6_53 C1_53 S1_53 124.1(9) . . ?
C1_53 C2_53 C3_53 120.8(11) . . ?
C1_53 C2_53 H2_53 119.6 . . ?
C3_53 C2_53 H2_53 119.6 . . ?
C4_53 C3_53 C2_53 118.3(11) . . ?
C4_53 C3_53 C7_53 123.5(12) . . ?
C2_53 C3_53 C7_53 118.2(12) . . ?
C3_53 C4_53 C5_53 122.3(12) . . ?
C3_53 C4_53 H4_53 118.8 . . ?
C5_53 C4_53 H4_53 118.8 . . ?
C4_53 C5_53 C6_53 119.1(11) . . ?
C4_53 C5_53 C8_53 122.0(12) . . ?
C6_53 C5_53 C8_53 118.9(12) . . ?
C1_53 C6_53 C5_53 120.0(11) . . ?
C1_53 C6_53 H6_53 120.0 . . ?
C5_53 C6_53 H6_53 120.0 . . ?
C3_53 C7_53 H7A_53 109.5 . . ?
C3_53 C7_53 H7B_53 109.5 . . ?
H7A_53 C7_53 H7B_53 109.5 . . ?
C3_53 C7_53 H7C_53 109.5 . . ?
H7A_53 C7_53 H7C_53 109.5 . . ?
H7B_53 C7_53 H7C_53 109.5 . . ?
C5_53 C8_53 H8A_53 109.5 . . ?
C5_53 C8_53 H8B_53 109.5 . . ?
H8A_53 C8_53 H8B_53 109.5 . . ?
C5_53 C8_53 H8C_53 109.5 . . ?
H8A_53 C8_53 H8C_53 109.5 . . ?
H8B_53 C8_53 H8C_53 109.5 . . ?
C1_54 S1_54 Au82 104.1(5) . . ?
C1_54 S1_54 Cd3 119.4(2) . . ?
Au82 S1_54 Cd3 95.51(17) . . ?
C2_54 C1_54 C6_54 118.5(11) . . ?
C2_54 C1_54 S1_54 123.5(10) . . ?
C6_54 C1_54 S1_54 118.0(9) . . ?
C1_54 C2_54 C3_54 121.9(12) . . ?
C1_54 C2_54 H2_54 119.1 . . ?
C3_54 C2_54 H2_54 119.1 . . ?
C4_54 C3_54 C2_54 117.8(11) . . ?
C4_54 C3_54 C7_54 122.8(12) . . ?
C2_54 C3_54 C7_54 119.4(12) . . ?
C3_54 C4_54 C5_54 122.5(13) . . ?
C3_54 C4_54 H4_54 118.7 . . ?
C5_54 C4_54 H4_54 118.7 . . ?
C4_54 C5_54 C6_54 119.2(12) . . ?
C4_54 C5_54 C8_54 121.6(12) . . ?
C6_54 C5_54 C8_54 119.2(12) . . ?
C1_54 C6_54 C5_54 120.2(12) . . ?
C1_54 C6_54 H6_54 119.9 . . ?
C5_54 C6_54 H6_54 119.9 . . ?
C3_54 C7_54 H7A_54 109.5 . . ?
C3_54 C7_54 H7B_54 109.5 . . ?
H7A_54 C7_54 H7B_54 109.5 . . ?
C3_54 C7_54 H7C_54 109.5 . . ?
H7A_54 C7_54 H7C_54 109.5 . . ?
H7B_54 C7_54 H7C_54 109.5 . . ?
C5_54 C8_54 H8A_54 109.5 . . ?
C5_54 C8_54 H8B_54 109.5 . . ?
H8A_54 C8_54 H8B_54 109.5 . . ?
C5_54 C8_54 H8C_54 109.5 . . ?
H8A_54 C8_54 H8C_54 109.5 . . ?
H8B_54 C8_54 H8C_54 109.5 . . ?
C1_55 S1_55 Au72 110.8(4) . . ?
C1_55 S1_55 Au38 120.0(5) . . ?
Au72 S1_55 Au38 93.77(16) . . ?
C2_55 C1_55 C6_55 121.1(11) . . ?
C2_55 C1_55 S1_55 124.3(10) . . ?
C6_55 C1_55 S1_55 114.6(9) . . ?
C1_55 C2_55 C3_55 118.6(12) . . ?
C1_55 C2_55 H2_55 120.7 . . ?
C3_55 C2_55 H2_55 120.7 . . ?
C4_55 C3_55 C2_55 117.9(12) . . ?
C4_55 C3_55 C7_55 123.4(12) . . ?
C2_55 C3_55 C7_55 118.7(12) . . ?
C5_55 C4_55 C3_55 125.6(12) . . ?
C5_55 C4_55 H4_55 117.2 . . ?
C3_55 C4_55 H4_55 117.2 . . ?
C4_55 C5_55 C6_55 115.4(12) . . ?
C4_55 C5_55 C8_55 124.1(12) . . ?
C6_55 C5_55 C8_55 120.5(13) . . ?
C5_55 C6_55 C1_55 121.4(12) . . ?
C5_55 C6_55 H6_55 119.3 . . ?
C1_55 C6_55 H6_55 119.3 . . ?
C3_55 C7_55 H7A_55 109.5 . . ?
C3_55 C7_55 H7B_55 109.5 . . ?
H7A_55 C7_55 H7B_55 109.5 . . ?
C3_55 C7_55 H7C_55 109.5 . . ?
H7A_55 C7_55 H7C_55 109.5 . . ?
H7B_55 C7_55 H7C_55 109.5 . . ?
C5_55 C8_55 H8A_55 109.5 . . ?
C5_55 C8_55 H8B_55 109.5 . . ?
H8A_55 C8_55 H8B_55 109.5 . . ?
C5_55 C8_55 H8C_55 109.5 . . ?
H8A_55 C8_55 H8C_55 109.5 . . ?
H8B_55 C8_55 H8C_55 109.5 . . ?
C1_56 S1_56 Au58 109.6(4) . . ?
C1_56 S1_56 Au26 101.92(19) . . ?
Au58 S1_56 Au26 94.00(15) . . ?
C2_56 C1_56 C6_56 121.6(10) . . ?
C2_56 C1_56 S1_56 118.0(9) . . ?
C6_56 C1_56 S1_56 120.4(9) . . ?
C1_56 C2_56 C3_56 119.9(11) . . ?
C1_56 C2_56 H2_56 120.0 . . ?
C3_56 C2_56 H2_56 120.0 . . ?
C4_56 C3_56 C2_56 116.7(11) . . ?
C4_56 C3_56 C7_56 124.5(11) . . ?
C2_56 C3_56 C7_56 118.8(11) . . ?
C3_56 C4_56 C5_56 126.0(11) . . ?
C3_56 C4_56 H4_56 117.0 . . ?
C5_56 C4_56 H4_56 117.0 . . ?
C4_56 C5_56 C6_56 116.7(10) . . ?
C4_56 C5_56 C8_56 124.6(11) . . ?
C6_56 C5_56 C8_56 118.7(11) . . ?
C1_56 C6_56 C5_56 119.1(11) . . ?
C1_56 C6_56 H6_56 120.4 . . ?
C5_56 C6_56 H6_56 120.4 . . ?
C3_56 C7_56 H7A_56 109.5 . . ?
C3_56 C7_56 H7B_56 109.5 . . ?
H7A_56 C7_56 H7B_56 109.5 . . ?
C3_56 C7_56 H7C_56 109.5 . . ?
H7A_56 C7_56 H7C_56 109.5 . . ?
H7B_56 C7_56 H7C_56 109.5 . . ?
C5_56 C8_56 H8A_56 109.5 . . ?
C5_56 C8_56 H8B_56 109.5 . . ?
H8A_56 C8_56 H8B_56 109.5 . . ?
C5_56 C8_56 H8C_56 109.5 . . ?
H8A_56 C8_56 H8C_56 109.5 . . ?
H8B_56 C8_56 H8C_56 109.5 . . ?
C1_57 S1_57 Au18 108.7(5) . . ?
C1_57 S1_57 Cd3 99.7(2) . . ?
Au18 S1_57 Cd3 108.69(17) . . ?
C6_57 C1_57 C2_57 118.4(11) . . ?
C6_57 C1_57 S1_57 121.3(10) . . ?
C2_57 C1_57 S1_57 120.3(10) . . ?
C1_57 C2_57 C3_57 121.3(12) . . ?
C1_57 C2_57 H2_57 119.3 . . ?
C3_57 C2_57 H2_57 119.3 . . ?
C4_57 C3_57 C2_57 119.8(12) . . ?
C4_57 C3_57 C7_57 122.0(13) . . ?
C2_57 C3_57 C7_57 118.2(13) . . ?
C3_57 C4_57 C5_57 119.8(13) . . ?
C3_57 C4_57 H4_57 120.1 . . ?
C5_57 C4_57 H4_57 120.1 . . ?
C4_57 C5_57 C6_57 121.0(12) . . ?
C4_57 C5_57 C8_57 123.8(13) . . ?
C6_57 C5_57 C8_57 115.1(12) . . ?
C1_57 C6_57 C5_57 119.6(12) . . ?
C1_57 C6_57 H6_57 120.2 . . ?
C5_57 C6_57 H6_57 120.2 . . ?
C3_57 C7_57 H7A_57 109.5 . . ?
C3_57 C7_57 H7B_57 109.5 . . ?
H7A_57 C7_57 H7B_57 109.5 . . ?
C3_57 C7_57 H7C_57 109.5 . . ?
H7A_57 C7_57 H7C_57 109.5 . . ?
H7B_57 C7_57 H7C_57 109.5 . . ?
C5_57 C8_57 H8A_57 109.5 . . ?
C5_57 C8_57 H8B_57 109.5 . . ?
H8A_57 C8_57 H8B_57 109.5 . . ?
C5_57 C8_57 H8C_57 109.5 . . ?
H8A_57 C8_57 H8C_57 109.5 . . ?
H8B_57 C8_57 H8C_57 109.5 . . ?
C1_58 S1_58 Au36 106.9(5) . . ?
C1_58 S1_58 Cd3 100.74(18) . . ?
Au36 S1_58 Cd3 101.3(2) . . ?
C2_58 C1_58 C6_58 120.7(11) . . ?
C2_58 C1_58 S1_58 121.2(10) . . ?
C6_58 C1_58 S1_58 118.1(10) . . ?
C1_58 C2_58 C3_58 119.3(12) . . ?
C1_58 C2_58 H2_58 120.3 . . ?
C3_58 C2_58 H2_58 120.3 . . ?
C4_58 C3_58 C2_58 119.4(12) . . ?
C4_58 C3_58 C7_58 123.5(13) . . ?
C2_58 C3_58 C7_58 117.2(13) . . ?
C3_58 C4_58 C5_58 121.9(13) . . ?
C3_58 C4_58 H4_58 119.0 . . ?
C5_58 C4_58 H4_58 119.0 . . ?
C4_58 C5_58 C6_58 119.2(12) . . ?
C4_58 C5_58 C8_58 121.9(13) . . ?
C6_58 C5_58 C8_58 118.9(13) . . ?
C1_58 C6_58 C5_58 119.5(12) . . ?
C1_58 C6_58 H6_58 120.2 . . ?
C5_58 C6_58 H6_58 120.2 . . ?
C3_58 C7_58 H7A_58 109.5 . . ?
C3_58 C7_58 H7B_58 109.5 . . ?
H7A_58 C7_58 H7B_58 109.5 . . ?
C3_58 C7_58 H7C_58 109.5 . . ?
H7A_58 C7_58 H7C_58 109.5 . . ?
H7B_58 C7_58 H7C_58 109.5 . . ?
C5_58 C8_58 H8A_58 109.5 . . ?
C5_58 C8_58 H8B_58 109.5 . . ?
H8A_58 C8_58 H8B_58 109.5 . . ?
C5_58 C8_58 H8C_58 109.5 . . ?
H8A_58 C8_58 H8C_58 109.5 . . ?
H8B_58 C8_58 H8C_58 109.5 . . ?
C1_59 S1_59 Au29 111.9(5) . . ?
C1_59 S1_59 Au60 106.4(2) . . ?
Au29 S1_59 Au60 79.27(14) . . ?
C2_59 C1_59 C6_59 120.5(11) . . ?
C2_59 C1_59 S1_59 123.1(10) . . ?
C6_59 C1_59 S1_59 116.4(9) . . ?
C1_59 C2_59 C3_59 117.8(12) . . ?
C1_59 C2_59 H2_59 121.1 . . ?
C3_59 C2_59 H2_59 121.1 . . ?
C4_59 C3_59 C2_59 120.5(12) . . ?
C4_59 C3_59 C7_59 119.0(12) . . ?
C2_59 C3_59 C7_59 120.5(12) . . ?
C3_59 C4_59 C5_59 122.0(13) . . ?
C3_59 C4_59 H4_59 119.0 . . ?
C5_59 C4_59 H4_59 119.0 . . ?
C4_59 C5_59 C6_59 119.0(12) . . ?
C4_59 C5_59 C8_59 121.6(13) . . ?
C6_59 C5_59 C8_59 119.5(13) . . ?
C5_59 C6_59 C1_59 120.2(12) . . ?
C5_59 C6_59 H6_59 119.9 . . ?
C1_59 C6_59 H6_59 119.9 . . ?
C3_59 C7_59 H7A_59 109.5 . . ?
C3_59 C7_59 H7B_59 109.5 . . ?
H7A_59 C7_59 H7B_59 109.5 . . ?
C3_59 C7_59 H7C_59 109.5 . . ?
H7A_59 C7_59 H7C_59 109.5 . . ?
H7B_59 C7_59 H7C_59 109.5 . . ?
C5_59 C8_59 H8A_59 109.5 . . ?
C5_59 C8_59 H8B_59 109.5 . . ?
H8A_59 C8_59 H8B_59 109.5 . . ?
C5_59 C8_59 H8C_59 109.5 . . ?
H8A_59 C8_59 H8C_59 109.5 . . ?
H8B_59 C8_59 H8C_59 109.5 . . ?
C1_60 S1_60 Au79 107.6(3) . . ?
C1_60 S1_60 Au72 105.2(6) . . ?
Au79 S1_60 Au72 99.3(2) . . ?
C6_60 C1_60 C2_60 118.7(12) . . ?
C6_60 C1_60 S1_60 124.4(11) . . ?
C2_60 C1_60 S1_60 116.9(11) . . ?
C1_60 C2_60 C3_60 120.4(13) . . ?
C1_60 C2_60 H2_60 119.8 . . ?
C3_60 C2_60 H2_60 119.8 . . ?
C4_60 C3_60 C2_60 118.5(13) . . ?
C4_60 C3_60 C7_60 121.1(14) . . ?
C2_60 C3_60 C7_60 120.4(14) . . ?
C5_60 C4_60 C3_60 121.9(14) . . ?
C5_60 C4_60 H4_60 119.1 . . ?
C3_60 C4_60 H4_60 119.1 . . ?
C4_60 C5_60 C6_60 118.8(13) . . ?
C4_60 C5_60 C8_60 120.3(14) . . ?
C6_60 C5_60 C8_60 120.9(14) . . ?
C1_60 C6_60 C5_60 121.8(13) . . ?
C1_60 C6_60 H6_60 119.1 . . ?
C5_60 C6_60 H6_60 119.1 . . ?
C3_60 C7_60 H7A_60 109.5 . . ?
C3_60 C7_60 H7B_60 109.5 . . ?
H7A_60 C7_60 H7B_60 109.5 . . ?
C3_60 C7_60 H7C_60 109.5 . . ?
H7A_60 C7_60 H7C_60 109.5 . . ?
H7B_60 C7_60 H7C_60 109.5 . . ?
C5_60 C8_60 H8A_60 109.5 . . ?
C5_60 C8_60 H8B_60 109.5 . . ?
H8A_60 C8_60 H8B_60 109.5 . . ?
C5_60 C8_60 H8C_60 109.5 . . ?
H8A_60 C8_60 H8C_60 109.5 . . ?
H8B_60 C8_60 H8C_60 109.5 . . ?
C1_61 S1_61 Au1K 107.1(6) . . ?
C1_61 S1_61 Cd7 108.6(3) . . ?
Au1K S1_61 Cd7 93.3(2) . . ?
C2_61 C1_61 C6_61 119.8(13) . . ?
C2_61 C1_61 S1_61 117.2(12) . . ?
C6_61 C1_61 S1_61 123.0(12) . . ?
C1_61 C2_61 C3_61 120.6(14) . . ?
C1_61 C2_61 H2_61 119.7 . . ?
C3_61 C2_61 H2_61 119.7 . . ?
C4_61 C3_61 C2_61 118.6(14) . . ?
C4_61 C3_61 C7_61 122.7(15) . . ?
C2_61 C3_61 C7_61 118.7(15) . . ?
C5_61 C4_61 C3_61 121.9(15) . . ?
C5_61 C4_61 H4_61 119.0 . . ?
C3_61 C4_61 H4_61 119.0 . . ?
C4_61 C5_61 C6_61 119.1(14) . . ?
C4_61 C5_61 C8_61 123.8(15) . . ?
C6_61 C5_61 C8_61 117.1(15) . . ?
C1_61 C6_61 C5_61 119.9(14) . . ?
C1_61 C6_61 H6_61 120.0 . . ?
C5_61 C6_61 H6_61 120.0 . . ?
C3_61 C7_61 H7A_61 109.5 . . ?
C3_61 C7_61 H7B_61 109.5 . . ?
H7A_61 C7_61 H7B_61 109.5 . . ?
C3_61 C7_61 H7C_61 109.5 . . ?
H7A_61 C7_61 H7C_61 109.5 . . ?
H7B_61 C7_61 H7C_61 109.5 . . ?
C5_61 C8_61 H8A_61 109.5 . . ?
C5_61 C8_61 H8B_61 109.5 . . ?
H8A_61 C8_61 H8B_61 109.5 . . ?
C5_61 C8_61 H8C_61 109.5 . . ?
H8A_61 C8_61 H8C_61 109.5 . . ?
H8B_61 C8_61 H8C_61 109.5 . . ?
C1_62 S1_62 Au1O 108.2(4) . . ?
C1_62 S1_62 Au1L 105.7(5) . . ?
Au1O S1_62 Au1L 96.6(2) . . ?
C1_62 S1_62 Au1L_1000 102.0(6) . . ?
Au1O S1_62 Au1L_1000 105.7(4) . . ?
C2_62 C1_62 C6_62 119.9(11) . . ?
C2_62 C1_62 S1_62 119.9(10) . . ?
C6_62 C1_62 S1_62 120.2(10) . . ?
C1_62 C2_62 C3_62 120.0(12) . . ?
C1_62 C2_62 H2_62 120.0 . . ?
C3_62 C2_62 H2_62 120.0 . . ?
C4_62 C3_62 C2_62 119.4(12) . . ?
C4_62 C3_62 C7_62 121.4(12) . . ?
C2_62 C3_62 C7_62 119.2(12) . . ?
C5_62 C4_62 C3_62 121.0(13) . . ?
C5_62 C4_62 H4_62 119.5 . . ?
C3_62 C4_62 H4_62 119.5 . . ?
C4_62 C5_62 C6_62 120.0(12) . . ?
C4_62 C5_62 C8_62 122.9(13) . . ?
C6_62 C5_62 C8_62 117.1(13) . . ?
C1_62 C6_62 C5_62 119.8(12) . . ?
C1_62 C6_62 H6_62 120.1 . . ?
C5_62 C6_62 H6_62 120.1 . . ?
C3_62 C7_62 H7A_62 109.5 . . ?
C3_62 C7_62 H7B_62 109.5 . . ?
H7A_62 C7_62 H7B_62 109.5 . . ?
C3_62 C7_62 H7C_62 109.5 . . ?
H7A_62 C7_62 H7C_62 109.5 . . ?
H7B_62 C7_62 H7C_62 109.5 . . ?
C5_62 C8_62 H8A_62 109.5 . . ?
C5_62 C8_62 H8B_62 109.5 . . ?
H8A_62 C8_62 H8B_62 109.5 . . ?
C5_62 C8_62 H8C_62 109.5 . . ?
H8A_62 C8_62 H8C_62 109.5 . . ?
H8B_62 C8_62 H8C_62 109.5 . . ?
C1_63 S1_63 Au84_1000 103.8(6) . . ?
C1_63 S1_63 Cd9_1000 93.8(5) . . ?
Au84_1000 S1_63 Cd9_1000 129.1(5) . . ?
C1_63 S1_63 Au84 109.8(5) . . ?
C1_63 S1_63 Cd9 99.5(2) . . ?
Au84 S1_63 Cd9 105.2(3) . . ?
C2_63 C1_63 C6_63 119.6(11) . . ?
C2_63 C1_63 S1_63 118.8(10) . . ?
C6_63 C1_63 S1_63 121.7(10) . . ?
C1_63 C2_63 C3_63 120.1(12) . . ?
C1_63 C2_63 H2_63 119.9 . . ?
C3_63 C2_63 H2_63 119.9 . . ?
C4_63 C3_63 C2_63 120.7(12) . . ?
C4_63 C3_63 C7_63 120.3(13) . . ?
C2_63 C3_63 C7_63 119.0(13) . . ?
C3_63 C4_63 C5_63 120.3(13) . . ?
C3_63 C4_63 H4_63 119.8 . . ?
C5_63 C4_63 H4_63 119.8 . . ?
C4_63 C5_63 C6_63 118.6(12) . . ?
C4_63 C5_63 C8_63 122.0(13) . . ?
C6_63 C5_63 C8_63 119.4(13) . . ?
C1_63 C6_63 C5_63 120.7(12) . . ?
C1_63 C6_63 H6_63 119.6 . . ?
C5_63 C6_63 H6_63 119.6 . . ?
C3_63 C7_63 H7A_63 109.5 . . ?
C3_63 C7_63 H7B_63 109.5 . . ?
H7A_63 C7_63 H7B_63 109.5 . . ?
C3_63 C7_63 H7C_63 109.5 . . ?
H7A_63 C7_63 H7C_63 109.5 . . ?
H7B_63 C7_63 H7C_63 109.5 . . ?
C5_63 C8_63 H8A_63 109.5 . . ?
C5_63 C8_63 H8B_63 109.5 . . ?
H8A_63 C8_63 H8B_63 109.5 . . ?
C5_63 C8_63 H8C_63 109.5 . . ?
H8A_63 C8_63 H8C_63 109.5 . . ?
H8B_63 C8_63 H8C_63 109.5 . . ?
C1_64 S1_64 Au1H_1000 109.7(8) . . ?
C1_64 S1_64 Au1H 109.4(7) . . ?
C1_64 S1_64 Cd9 112.6(4) . . ?
Au1H S1_64 Cd9 103.5(2) . . ?
C1_64 S1_64 Cd9_1000 107.0(5) . . ?
Au1H_1000 S1_64 Cd9_1000 110.1(5) . . ?
C2_64 C1_64 C6_64 119.0(13) . . ?
C2_64 C1_64 S1_64 126.3(13) . . ?
C6_64 C1_64 S1_64 114.7(12) . . ?
C1_64 C2_64 C3_64 121.1(14) . . ?
C1_64 C2_64 H2_64 119.4 . . ?
C3_64 C2_64 H2_64 119.4 . . ?
C4_64 C3_64 C2_64 118.7(14) . . ?
C4_64 C3_64 C7_64 117.9(14) . . ?
C2_64 C3_64 C7_64 123.4(14) . . ?
C5_64 C4_64 C3_64 121.0(15) . . ?
C5_64 C4_64 H4_64 119.5 . . ?
C3_64 C4_64 H4_64 119.5 . . ?
C4_64 C5_64 C6_64 120.1(14) . . ?
C4_64 C5_64 C8_64 121.3(14) . . ?
C6_64 C5_64 C8_64 118.6(15) . . ?
C5_64 C6_64 C1_64 120.1(14) . . ?
C5_64 C6_64 H6_64 119.9 . . ?
C1_64 C6_64 H6_64 119.9 . . ?
C3_64 C7_64 H7A_64 109.5 . . ?
C3_64 C7_64 H7B_64 109.5 . . ?
H7A_64 C7_64 H7B_64 109.5 . . ?
C3_64 C7_64 H7C_64 109.5 . . ?
H7A_64 C7_64 H7C_64 109.5 . . ?
H7B_64 C7_64 H7C_64 109.5 . . ?
C5_64 C8_64 H8A_64 109.5 . . ?
C5_64 C8_64 H8B_64 109.5 . . ?
H8A_64 C8_64 H8B_64 109.5 . . ?
C5_64 C8_64 H8C_64 109.5 . . ?
H8A_64 C8_64 H8C_64 109.5 . . ?
H8B_64 C8_64 H8C_64 109.5 . . ?
C1_65 S1_65 Au1I 109.2(4) . . ?
C1_65 S1_65 Au1G 105.3(2) . . ?
Au1I S1_65 Au1G 93.30(18) . . ?
C1_65 S1_65 Au1I_1000 103.5(5) . . ?
C1_65 S1_65 Au1G_1000 99.7(3) . . ?
Au1I_1000 S1_65 Au1G_1000 84.8(3) . . ?
C2_65 C1_65 C6_65 121.3(10) . . ?
C2_65 C1_65 S1_65 121.1(9) . . ?
C6_65 C1_65 S1_65 117.6(9) . . ?
C1_65 C2_65 C3_65 119.0(11) . . ?
C1_65 C2_65 H2_65 120.5 . . ?
C3_65 C2_65 H2_65 120.5 . . ?
C4_65 C3_65 C2_65 118.0(11) . . ?
C4_65 C3_65 C7_65 122.4(12) . . ?
C2_65 C3_65 C7_65 119.5(11) . . ?
C3_65 C4_65 C5_65 124.3(12) . . ?
C3_65 C4_65 H4_65 117.9 . . ?
C5_65 C4_65 H4_65 117.9 . . ?
C4_65 C5_65 C6_65 117.4(11) . . ?
C4_65 C5_65 C8_65 123.4(12) . . ?
C6_65 C5_65 C8_65 119.3(12) . . ?
C5_65 C6_65 C1_65 120.1(11) . . ?
C5_65 C6_65 H6_65 120.0 . . ?
C1_65 C6_65 H6_65 120.0 . . ?
C3_65 C7_65 H7A_65 109.5 . . ?
C3_65 C7_65 H7B_65 109.5 . . ?
H7A_65 C7_65 H7B_65 109.5 . . ?
C3_65 C7_65 H7C_65 109.5 . . ?
H7A_65 C7_65 H7C_65 109.5 . . ?
H7B_65 C7_65 H7C_65 109.5 . . ?
C5_65 C8_65 H8A_65 109.5 . . ?
C5_65 C8_65 H8B_65 109.5 . . ?
H8A_65 C8_65 H8B_65 109.5 . . ?
C5_65 C8_65 H8C_65 109.5 . . ?
H8A_65 C8_65 H8C_65 109.5 . . ?
H8B_65 C8_65 H8C_65 109.5 . . ?
C1_66 S1_66 Au1J_1000 110.1(5) . . ?
C1_66 S1_66 Au1H 106.2(4) . . ?
C1_66 S1_66 Au1J 104.5(5) . . ?
Au1H S1_66 Au1J 100.6(2) . . ?
C1_66 S1_66 Au1H_1000 107.6(4) . . ?
Au1J_1000 S1_66 Au1H_1000 89.7(4) . . ?
C2_66 C1_66 C6_66 117.9(12) . . ?
C2_66 C1_66 S1_66 124.1(11) . . ?
C6_66 C1_66 S1_66 117.9(10) . . ?
C1_66 C2_66 C3_66 120.6(13) . . ?
C1_66 C2_66 H2_66 119.7 . . ?
C3_66 C2_66 H2_66 119.7 . . ?
C4_66 C3_66 C2_66 119.7(13) . . ?
C4_66 C3_66 C7_66 119.6(13) . . ?
C2_66 C3_66 C7_66 120.7(13) . . ?
C5_66 C4_66 C3_66 120.9(13) . . ?
C5_66 C4_66 H4_66 119.6 . . ?
C3_66 C4_66 H4_66 119.6 . . ?
C4_66 C5_66 C6_66 119.8(13) . . ?
C4_66 C5_66 C8_66 120.4(13) . . ?
C6_66 C5_66 C8_66 119.8(13) . . ?
C1_66 C6_66 C5_66 121.1(13) . . ?
C1_66 C6_66 H6_66 119.5 . . ?
C5_66 C6_66 H6_66 119.5 . . ?
C3_66 C7_66 H7A_66 109.5 . . ?
C3_66 C7_66 H7B_66 109.5 . . ?
H7A_66 C7_66 H7B_66 109.5 . . ?
C3_66 C7_66 H7C_66 109.5 . . ?
H7A_66 C7_66 H7C_66 109.5 . . ?
H7B_66 C7_66 H7C_66 109.5 . . ?
C5_66 C8_66 H8A_66 109.5 . . ?
C5_66 C8_66 H8B_66 109.5 . . ?
H8A_66 C8_66 H8B_66 109.5 . . ?
C5_66 C8_66 H8C_66 109.5 . . ?
H8A_66 C8_66 H8C_66 109.5 . . ?
H8B_66 C8_66 H8C_66 109.5 . . ?
C1_67 S1_67 Au1M 113.1(6) . . ?
C1_67 S1_67 Cd12_1000 104.2(7) . . ?
C1_67 S1_67 Au1M_1000 109.9(6) . . ?
Cd12_1000 S1_67 Au1M_1000 81.1(5) . . ?
C1_67 S1_67 Cd12 105.3(3) . . ?
Au1M S1_67 Cd12 81.2(2) . . ?
C2_67 C1_67 C6_67 118.8(12) . . ?
C2_67 C1_67 S1_67 117.7(11) . . ?
C6_67 C1_67 S1_67 123.5(11) . . ?
C1_67 C2_67 C3_67 123.3(13) . . ?
C1_67 C2_67 H2_67 118.4 . . ?
C3_67 C2_67 H2_67 118.4 . . ?
C4_67 C3_67 C2_67 116.6(13) . . ?
C4_67 C3_67 C7_67 124.6(15) . . ?
C2_67 C3_67 C7_67 118.8(14) . . ?
C5_67 C4_67 C3_67 121.9(14) . . ?
C5_67 C4_67 H4_67 119.1 . . ?
C3_67 C4_67 H4_67 119.1 . . ?
C4_67 C5_67 C6_67 121.0(13) . . ?
C4_67 C5_67 C8_67 120.7(14) . . ?
C6_67 C5_67 C8_67 118.3(14) . . ?
C1_67 C6_67 C5_67 118.4(13) . . ?
C1_67 C6_67 H6_67 120.8 . . ?
C5_67 C6_67 H6_67 120.8 . . ?
C3_67 C7_67 H7A_67 109.5 . . ?
C3_67 C7_67 H7B_67 109.5 . . ?
H7A_67 C7_67 H7B_67 109.5 . . ?
C3_67 C7_67 H7C_67 109.5 . . ?
H7A_67 C7_67 H7C_67 109.5 . . ?
H7B_67 C7_67 H7C_67 109.5 . . ?
C5_67 C8_67 H8A_67 109.5 . . ?
C5_67 C8_67 H8B_67 109.5 . . ?
H8A_67 C8_67 H8B_67 109.5 . . ?
C5_67 C8_67 H8C_67 109.5 . . ?
H8A_67 C8_67 H8C_67 109.5 . . ?
H8B_67 C8_67 H8C_67 109.5 . . ?
C1_68 S1_68 Au1B_1000 107.0(4) . . ?
C1_68 S1_68 Au1B 98.4(4) . . ?
C1_68 S1_68 Cd9 107.1(5) . . ?
Au1B S1_68 Cd9 78.79(17) . . ?
C1_68 S1_68 Cd9_1000 111.6(7) . . ?
Au1B_1000 S1_68 Cd9_1000 73.5(4) . . ?
C2_68 C1_68 C6_68 119.7(13) . . ?
C2_68 C1_68 S1_68 120.1(13) . . ?
C6_68 C1_68 S1_68 120.2(13) . . ?
C1_68 C2_68 C3_68 118.3(14) . . ?
C1_68 C2_68 H2_68 120.9 . . ?
C3_68 C2_68 H2_68 120.9 . . ?
C4_68 C3_68 C2_68 119.7(14) . . ?
C4_68 C3_68 C7_68 121.1(16) . . ?
C2_68 C3_68 C7_68 119.3(15) . . ?
C5_68 C4_68 C3_68 123.3(15) . . ?
C5_68 C4_68 H4_68 118.3 . . ?
C3_68 C4_68 H4_68 118.3 . . ?
C4_68 C5_68 C6_68 117.5(14) . . ?
C4_68 C5_68 C8_68 122.4(16) . . ?
C6_68 C5_68 C8_68 120.0(16) . . ?
C1_68 C6_68 C5_68 121.5(14) . . ?
C1_68 C6_68 H6_68 119.2 . . ?
C5_68 C6_68 H6_68 119.2 . . ?
C3_68 C7_68 H7A_68 109.5 . . ?
C3_68 C7_68 H7B_68 109.5 . . ?
H7A_68 C7_68 H7B_68 109.5 . . ?
C3_68 C7_68 H7C_68 109.5 . . ?
H7A_68 C7_68 H7C_68 109.5 . . ?
H7B_68 C7_68 H7C_68 109.5 . . ?
C5_68 C8_68 H8A_68 109.5 . . ?
C5_68 C8_68 H8B_68 109.5 . . ?
H8A_68 C8_68 H8B_68 109.5 . . ?
C5_68 C8_68 H8C_68 109.5 . . ?
H8A_68 C8_68 H8C_68 109.5 . . ?
H8B_68 C8_68 H8C_68 109.5 . . ?
C1_69 S1_69 Au94_1000 106.1(4) . . ?
C1_69 S1_69 Au1L_1000 101.7(7) . . ?
Au94_1000 S1_69 Au1L_1000 102.6(5) . . ?
C1_69 S1_69 Au1L 110.4(6) . . ?
C1_69 S1_69 Au94 114.1(3) . . ?
Au1L S1_69 Au94 93.5(2) . . ?
C6_69 C1_69 C2_69 120.1(12) . . ?
C6_69 C1_69 S1_69 119.0(11) . . ?
C2_69 C1_69 S1_69 120.9(11) . . ?
C1_69 C2_69 C3_69 121.9(13) . . ?
C1_69 C2_69 H2_69 119.0 . . ?
C3_69 C2_69 H2_69 119.0 . . ?
C4_69 C3_69 C2_69 117.6(13) . . ?
C4_69 C3_69 C7_69 121.8(14) . . ?
C2_69 C3_69 C7_69 120.6(14) . . ?
C5_69 C4_69 C3_69 121.0(14) . . ?
C5_69 C4_69 H4_69 119.5 . . ?
C3_69 C4_69 H4_69 119.5 . . ?
C4_69 C5_69 C6_69 121.3(13) . . ?
C4_69 C5_69 C8_69 118.6(14) . . ?
C6_69 C5_69 C8_69 120.1(14) . . ?
C1_69 C6_69 C5_69 118.0(13) . . ?
C1_69 C6_69 H6_69 121.0 . . ?
C5_69 C6_69 H6_69 121.0 . . ?
C3_69 C7_69 H7A_69 109.5 . . ?
C3_69 C7_69 H7B_69 109.5 . . ?
H7A_69 C7_69 H7B_69 109.5 . . ?
C3_69 C7_69 H7C_69 109.5 . . ?
H7A_69 C7_69 H7C_69 109.5 . . ?
H7B_69 C7_69 H7C_69 109.5 . . ?
C5_69 C8_69 H8A_69 109.5 . . ?
C5_69 C8_69 H8B_69 109.5 . . ?
H8A_69 C8_69 H8B_69 109.5 . . ?
C5_69 C8_69 H8C_69 109.5 . . ?
H8A_69 C8_69 H8C_69 109.5 . . ?
H8B_69 C8_69 H8C_69 109.5 . . ?
C1_70 S1_70 Au93 105.3(6) . . ?
C1_70 S1_70 Au96 105.5(5) . . ?
Au93 S1_70 Au96 100.8(3) . . ?
C1_70 S1_70 Au96_1000 107.0(4) . . ?
C2_70 C1_70 C6_70 118.2(12) . . ?
C2_70 C1_70 S1_70 121.6(11) . . ?
C6_70 C1_70 S1_70 120.2(11) . . ?
C1_70 C2_70 C3_70 120.6(14) . . ?
C1_70 C2_70 H2_70 119.7 . . ?
C3_70 C2_70 H2_70 119.7 . . ?
C4_70 C3_70 C2_70 118.4(13) . . ?
C4_70 C3_70 C7_70 119.0(14) . . ?
C2_70 C3_70 C7_70 122.6(15) . . ?
C5_70 C4_70 C3_70 123.1(14) . . ?
C5_70 C4_70 H4_70 118.4 . . ?
C3_70 C4_70 H4_70 118.4 . . ?
C4_70 C5_70 C6_70 117.4(14) . . ?
C4_70 C5_70 C8_70 122.4(14) . . ?
C6_70 C5_70 C8_70 120.3(14) . . ?
C1_70 C6_70 C5_70 122.3(14) . . ?
C1_70 C6_70 H6_70 118.8 . . ?
C5_70 C6_70 H6_70 118.8 . . ?
C3_70 C7_70 H7A_70 109.5 . . ?
C3_70 C7_70 H7B_70 109.5 . . ?
H7A_70 C7_70 H7B_70 109.5 . . ?
C3_70 C7_70 H7C_70 109.5 . . ?
H7A_70 C7_70 H7C_70 109.5 . . ?
H7B_70 C7_70 H7C_70 109.5 . . ?
C5_70 C8_70 H8A_70 109.5 . . ?
C5_70 C8_70 H8B_70 109.5 . . ?
H8A_70 C8_70 H8B_70 109.5 . . ?
C5_70 C8_70 H8C_70 109.5 . . ?
H8A_70 C8_70 H8C_70 109.5 . . ?
H8B_70 C8_70 H8C_70 109.5 . . ?
Au69_1000 S1_71 C1_71 102.6(8) . . ?
C1_71 S1_71 Au69 103.9(7) . . ?
C1_71 S1_71 Au70 107.3(3) . . ?
Au69 S1_71 Au70 90.0(2) . . ?
Au69_1000 S1_71 Au70_1000 99.9(4) . . ?
C1_71 S1_71 Au70_1000 100.7(3) . . ?
C2_71 C1_71 C6_71 119.0(12) . . ?
C2_71 C1_71 S1_71 118.3(12) . . ?
C6_71 C1_71 S1_71 122.7(12) . . ?
C2_71 C1_71 Au69_1000 155.3(11) . . ?
C6_71 C1_71 Au69_1000 85.7(10) . . ?
S1_71 C1_71 Au69_1000 37.1(4) . . ?
C1_71 C2_71 C3_71 119.9(14) . . ?
C1_71 C2_71 H2_71 120.0 . . ?
C3_71 C2_71 H2_71 120.0 . . ?
C4_71 C3_71 C2_71 118.9(14) . . ?
C4_71 C3_71 C7_71 122.7(15) . . ?
C2_71 C3_71 C7_71 118.4(15) . . ?
C5_71 C4_71 C3_71 123.0(15) . . ?
C5_71 C4_71 H4_71 118.5 . . ?
C3_71 C4_71 H4_71 118.5 . . ?
C4_71 C5_71 C6_71 117.1(14) . . ?
C4_71 C5_71 C8_71 123.7(15) . . ?
C6_71 C5_71 C8_71 119.2(15) . . ?
C5_71 C6_71 C1_71 122.0(13) . . ?
C5_71 C6_71 H6_71 119.0 . . ?
C1_71 C6_71 H6_71 119.0 . . ?
C3_71 C7_71 H7A_71 109.5 . . ?
C3_71 C7_71 H7B_71 109.5 . . ?
H7A_71 C7_71 H7B_71 109.5 . . ?
C3_71 C7_71 H7C_71 109.5 . . ?
H7A_71 C7_71 H7C_71 109.5 . . ?
H7B_71 C7_71 H7C_71 109.5 . . ?
C5_71 C8_71 H8A_71 109.5 . . ?
C5_71 C8_71 H8B_71 109.5 . . ?
H8A_71 C8_71 H8B_71 109.5 . . ?
C5_71 C8_71 H8C_71 109.5 . . ?
H8A_71 C8_71 H8C_71 109.5 . . ?
H8B_71 C8_71 H8C_71 109.5 . . ?
Au93_1000 S1_72 C1_72 95.1(5) . . ?
C1_72 S1_72 Au93 101.9(4) . . ?
C1_72 S1_72 Au83 112.9(6) . . ?
Au93 S1_72 Au83 95.3(2) . . ?
Au93_1000 S1_72 Au83_1000 106.6(4) . . ?
C1_72 S1_72 Au83_1000 108.4(6) . . ?
C2_72 C1_72 C6_72 118.3(13) . . ?
C2_72 C1_72 S1_72 122.3(12) . . ?
C6_72 C1_72 S1_72 119.4(12) . . ?
C2_72 C1_72 Au93_1000 132.8(8) . . ?
C6_72 C1_72 Au93_1000 95.5(9) . . ?
S1_72 C1_72 Au93_1000 39.9(4) . . ?
C1_72 C2_72 C3_72 118.0(14) . . ?
C1_72 C2_72 H2_72 121.0 . . ?
C3_72 C2_72 H2_72 121.0 . . ?
C4_72 C3_72 C2_72 122.4(14) . . ?
C4_72 C3_72 C7_72 118.5(15) . . ?
C2_72 C3_72 C7_72 119.1(15) . . ?
C3_72 C4_72 C5_72 120.5(15) . . ?
C3_72 C4_72 H4_72 119.8 . . ?
C5_72 C4_72 H4_72 119.8 . . ?
C4_72 C5_72 C6_72 117.1(14) . . ?
C4_72 C5_72 C8_72 117.2(15) . . ?
C6_72 C5_72 C8_72 125.7(16) . . ?
C1_72 C6_72 C5_72 123.6(14) . . ?
C1_72 C6_72 H6_72 118.2 . . ?
C5_72 C6_72 H6_72 118.2 . . ?
C3_72 C7_72 H7A_72 109.5 . . ?
C3_72 C7_72 H7B_72 109.5 . . ?
H7A_72 C7_72 H7B_72 109.5 . . ?
C3_72 C7_72 H7C_72 109.5 . . ?
H7A_72 C7_72 H7C_72 109.5 . . ?
H7B_72 C7_72 H7C_72 109.5 . . ?
C5_72 C8_72 H8A_72 109.5 . . ?
C5_72 C8_72 H8B_72 109.5 . . ?
H8A_72 C8_72 H8B_72 109.5 . . ?
C5_72 C8_72 H8C_72 109.5 . . ?
H8A_72 C8_72 H8C_72 109.5 . . ?
H8B_72 C8_72 H8C_72 109.5 . . ?
C1_73 S1_73 Au1J 105.1(5) . . ?
C1_73 S1_73 Au1D 113.1(3) . . ?
Au1J S1_73 Au1D 93.9(2) . . ?
C1_73 S1_73 Au1J_1000 114.8(6) . . ?
C1_73 S1_73 Au1D_1000 119.8(3) . . ?
Au1J_1000 S1_73 Au1D_1000 79.3(3) . . ?
C2_73 C1_73 C6_73 120.7(11) . . ?
C2_73 C1_73 S1_73 121.9(11) . . ?
C6_73 C1_73 S1_73 117.4(10) . . ?
C1_73 C2_73 C3_73 119.7(12) . . ?
C1_73 C2_73 H2_73 120.1 . . ?
C3_73 C2_73 H2_73 120.1 . . ?
C4_73 C3_73 C2_73 118.3(12) . . ?
C4_73 C3_73 C7_73 123.2(13) . . ?
C2_73 C3_73 C7_73 118.4(13) . . ?
C5_73 C4_73 C3_73 123.2(13) . . ?
C5_73 C4_73 H4_73 118.4 . . ?
C3_73 C4_73 H4_73 118.4 . . ?
C4_73 C5_73 C6_73 119.4(12) . . ?
C4_73 C5_73 C8_73 122.0(13) . . ?
C6_73 C5_73 C8_73 118.5(13) . . ?
C5_73 C6_73 C1_73 118.6(12) . . ?
C5_73 C6_73 H6_73 120.7 . . ?
C1_73 C6_73 H6_73 120.7 . . ?
C3_73 C7_73 H7A_73 109.5 . . ?
C3_73 C7_73 H7B_73 109.5 . . ?
H7A_73 C7_73 H7B_73 109.5 . . ?
C3_73 C7_73 H7C_73 109.5 . . ?
H7A_73 C7_73 H7C_73 109.5 . . ?
H7B_73 C7_73 H7C_73 109.5 . . ?
C5_73 C8_73 H8A_73 109.5 . . ?
C5_73 C8_73 H8B_73 109.5 . . ?
H8A_73 C8_73 H8B_73 109.5 . . ?
C5_73 C8_73 H8C_73 109.5 . . ?
H8A_73 C8_73 H8C_73 109.5 . . ?
H8B_73 C8_73 H8C_73 109.5 . . ?
C1_74 S1_74 Au91 97.5(4) . . ?
C1_74 S1_74 Cd11 108.2(5) . . ?
Au91 S1_74 Cd11 77.2(2) . . ?
C1_74 S1_74 Cd11_1000 110.0(6) . . ?
C2_74 C1_74 C6_74 120.5(12) . . ?
C2_74 C1_74 S1_74 118.5(11) . . ?
C6_74 C1_74 S1_74 121.0(12) . . ?
C1_74 C2_74 C3_74 120.3(13) . . ?
C1_74 C2_74 H2_74 119.9 . . ?
C3_74 C2_74 H2_74 119.9 . . ?
C4_74 C3_74 C2_74 117.8(13) . . ?
C4_74 C3_74 C7_74 124.2(14) . . ?
C2_74 C3_74 C7_74 118.0(14) . . ?
C3_74 C4_74 C5_74 122.9(14) . . ?
C3_74 C4_74 H4_74 118.5 . . ?
C5_74 C4_74 H4_74 118.5 . . ?
C4_74 C5_74 C6_74 119.9(13) . . ?
C4_74 C5_74 C8_74 121.8(14) . . ?
C6_74 C5_74 C8_74 118.2(14) . . ?
C5_74 C6_74 C1_74 118.6(13) . . ?
C5_74 C6_74 H6_74 120.7 . . ?
C1_74 C6_74 H6_74 120.7 . . ?
C3_74 C7_74 H7A_74 109.5 . . ?
C3_74 C7_74 H7B_74 109.5 . . ?
H7A_74 C7_74 H7B_74 109.5 . . ?
C3_74 C7_74 H7C_74 109.5 . . ?
H7A_74 C7_74 H7C_74 109.5 . . ?
H7B_74 C7_74 H7C_74 109.5 . . ?
C5_74 C8_74 H8A_74 109.5 . . ?
C5_74 C8_74 H8B_74 109.5 . . ?
H8A_74 C8_74 H8B_74 109.5 . . ?
C5_74 C8_74 H8C_74 109.5 . . ?
H8A_74 C8_74 H8C_74 109.5 . . ?
H8B_74 C8_74 H8C_74 109.5 . . ?
C1_75 S1_75 Au1N 109.2(5) . . ?
C1_75 S1_75 Cd11 103.7(3) . . ?
Au1N S1_75 Cd11 95.6(2) . . ?
C1_75 S1_75 Cd11_1000 110.0(5) . . ?
Au1N S1_75 Cd11_1000 95.2(4) . . ?
C2_75 C1_75 C6_75 121.6(12) . . ?
C2_75 C1_75 S1_75 122.4(12) . . ?
C6_75 C1_75 S1_75 115.9(11) . . ?
C1_75 C2_75 C3_75 120.6(13) . . ?
C1_75 C2_75 H2_75 119.7 . . ?
C3_75 C2_75 H2_75 119.7 . . ?
C4_75 C3_75 C2_75 118.1(13) . . ?
C4_75 C3_75 C7_75 122.5(14) . . ?
C2_75 C3_75 C7_75 119.4(14) . . ?
C5_75 C4_75 C3_75 122.1(14) . . ?
C5_75 C4_75 H4_75 119.0 . . ?
C3_75 C4_75 H4_75 119.0 . . ?
C4_75 C5_75 C6_75 120.2(13) . . ?
C4_75 C5_75 C8_75 121.2(14) . . ?
C6_75 C5_75 C8_75 118.6(14) . . ?
C1_75 C6_75 C5_75 117.4(13) . . ?
C1_75 C6_75 H6_75 121.3 . . ?
C5_75 C6_75 H6_75 121.3 . . ?
C3_75 C7_75 H7A_75 109.5 . . ?
C3_75 C7_75 H7B_75 109.5 . . ?
H7A_75 C7_75 H7B_75 109.5 . . ?
C3_75 C7_75 H7C_75 109.5 . . ?
H7A_75 C7_75 H7C_75 109.5 . . ?
H7B_75 C7_75 H7C_75 109.5 . . ?
C5_75 C8_75 H8A_75 109.5 . . ?
C5_75 C8_75 H8B_75 109.5 . . ?
H8A_75 C8_75 H8B_75 109.5 . . ?
C5_75 C8_75 H8C_75 109.5 . . ?
H8A_75 C8_75 H8C_75 109.5 . . ?
H8B_75 C8_75 H8C_75 109.5 . . ?
C1_76 S1_76 Au1N 107.4(5) . . ?
C1_76 S1_76 Cd12 109.5(3) . . ?
Au1N S1_76 Cd12 93.8(2) . . ?
C1_76 S1_76 Cd12_1000 106.1(6) . . ?
Au1N S1_76 Cd12_1000 97.1(5) . . ?
C6_76 C1_76 C2_76 120.0(12) . . ?
C6_76 C1_76 S1_76 122.4(11) . . ?
C2_76 C1_76 S1_76 117.7(11) . . ?
C1_76 C2_76 C3_76 121.8(13) . . ?
C1_76 C2_76 H2_76 119.1 . . ?
C3_76 C2_76 H2_76 119.1 . . ?
C4_76 C3_76 C2_76 117.7(13) . . ?
C4_76 C3_76 C7_76 123.4(14) . . ?
C2_76 C3_76 C7_76 118.8(14) . . ?
C3_76 C4_76 C5_76 121.0(14) . . ?
C3_76 C4_76 H4_76 119.5 . . ?
C5_76 C4_76 H4_76 119.5 . . ?
C4_76 C5_76 C6_76 122.1(13) . . ?
C4_76 C5_76 C8_76 120.9(14) . . ?
C6_76 C5_76 C8_76 117.0(14) . . ?
C1_76 C6_76 C5_76 117.4(13) . . ?
C1_76 C6_76 H6_76 121.3 . . ?
C5_76 C6_76 H6_76 121.3 . . ?
C3_76 C7_76 H7A_76 109.5 . . ?
C3_76 C7_76 H7B_76 109.5 . . ?
H7A_76 C7_76 H7B_76 109.5 . . ?
C3_76 C7_76 H7C_76 109.5 . . ?
H7A_76 C7_76 H7C_76 109.5 . . ?
H7B_76 C7_76 H7C_76 109.5 . . ?
C5_76 C8_76 H8A_76 109.5 . . ?
C5_76 C8_76 H8B_76 109.5 . . ?
H8A_76 C8_76 H8B_76 109.5 . . ?
C5_76 C8_76 H8C_76 109.5 . . ?
H8A_76 C8_76 H8C_76 109.5 . . ?
H8B_76 C8_76 H8C_76 109.5 . . ?
C1_77 S1_77 Au1O 110.3(5) . . ?
C1_77 S1_77 Cd12_1000 109.5(5) . . ?
Au1O S1_77 Cd12_1000 100.7(5) . . ?
C1_77 S1_77 Cd12 104.9(3) . . ?
Au1O S1_77 Cd12 108.4(2) . . ?
C2_77 C1_77 C6_77 119.6(11) . . ?
C2_77 C1_77 S1_77 124.5(10) . . ?
C6_77 C1_77 S1_77 115.9(9) . . ?
C1_77 C2_77 C3_77 120.0(12) . . ?
C1_77 C2_77 H2_77 120.0 . . ?
C3_77 C2_77 H2_77 120.0 . . ?
C4_77 C3_77 C2_77 118.3(12) . . ?
C4_77 C3_77 C7_77 123.5(13) . . ?
C2_77 C3_77 C7_77 118.3(13) . . ?
C3_77 C4_77 C5_77 123.0(13) . . ?
C3_77 C4_77 H4_77 118.5 . . ?
C5_77 C4_77 H4_77 118.5 . . ?
C4_77 C5_77 C6_77 118.6(12) . . ?
C4_77 C5_77 C8_77 123.8(12) . . ?
C6_77 C5_77 C8_77 117.5(12) . . ?
C1_77 C6_77 C5_77 120.4(12) . . ?
C1_77 C6_77 H6_77 119.8 . . ?
C5_77 C6_77 H6_77 119.8 . . ?
C3_77 C7_77 H7A_77 109.5 . . ?
C3_77 C7_77 H7B_77 109.5 . . ?
H7A_77 C7_77 H7B_77 109.5 . . ?
C3_77 C7_77 H7C_77 109.5 . . ?
H7A_77 C7_77 H7C_77 109.5 . . ?
H7B_77 C7_77 H7C_77 109.5 . . ?
C5_77 C8_77 H8A_77 109.5 . . ?
C5_77 C8_77 H8B_77 109.5 . . ?
H8A_77 C8_77 H8B_77 109.5 . . ?
C5_77 C8_77 H8C_77 109.5 . . ?
H8A_77 C8_77 H8C_77 109.5 . . ?
H8B_77 C8_77 H8C_77 109.5 . . ?
C1_78 S1_78 Au96 111.7(6) . . ?
C1_78 S1_78 Au96_1000 124.4(6) . . ?
C1_78 S1_78 Cd11_1000 111.7(5) . . ?
Au96_1000 S1_78 Cd11_1000 102.7(4) . . ?
C1_78 S1_78 Cd11 101.4(3) . . ?
Au96 S1_78 Cd11 98.5(2) . . ?
C2_78 C1_78 C6_78 120.2(12) . . ?
C2_78 C1_78 S1_78 124.0(11) . . ?
C6_78 C1_78 S1_78 115.8(10) . . ?
C1_78 C2_78 C3_78 120.4(13) . . ?
C1_78 C2_78 H2_78 119.8 . . ?
C3_78 C2_78 H2_78 119.8 . . ?
C4_78 C3_78 C2_78 117.2(12) . . ?
C4_78 C3_78 C7_78 123.4(14) . . ?
C2_78 C3_78 C7_78 119.3(14) . . ?
C3_78 C4_78 C5_78 124.4(13) . . ?
C3_78 C4_78 H4_78 117.8 . . ?
C5_78 C4_78 H4_78 117.8 . . ?
C4_78 C5_78 C6_78 117.7(13) . . ?
C4_78 C5_78 C8_78 123.6(13) . . ?
C6_78 C5_78 C8_78 118.7(13) . . ?
C1_78 C6_78 C5_78 120.1(13) . . ?
C1_78 C6_78 H6_78 119.9 . . ?
C5_78 C6_78 H6_78 119.9 . . ?
C3_78 C7_78 H7A_78 109.5 . . ?
C3_78 C7_78 H7B_78 109.5 . . ?
H7A_78 C7_78 H7B_78 109.5 . . ?
C3_78 C7_78 H7C_78 109.5 . . ?
H7A_78 C7_78 H7C_78 109.5 . . ?
H7B_78 C7_78 H7C_78 109.5 . . ?
C5_78 C8_78 H8A_78 109.5 . . ?
C5_78 C8_78 H8B_78 109.5 . . ?
H8A_78 C8_78 H8B_78 109.5 . . ?
C5_78 C8_78 H8C_78 109.5 . . ?
H8A_78 C8_78 H8C_78 109.5 . . ?
H8B_78 C8_78 H8C_78 109.5 . . ?
C1_79 S1_79 Au1E 107.7(5) . . ?
C1_79 S1_79 Cd12 95.8(2) . . ?
Au1E S1_79 Cd12 107.3(2) . . ?
C1_79 S1_79 Cd12_1000 98.6(6) . . ?
C1_79 S1_79 Au1E_1000 112.8(5) . . ?
Cd12_1000 S1_79 Au1E_1000 94.7(4) . . ?
C2_79 C1_79 C6_79 118.7(11) . . ?
C2_79 C1_79 S1_79 123.5(10) . . ?
C6_79 C1_79 S1_79 117.8(10) . . ?
C1_79 C2_79 C3_79 119.9(12) . . ?
C1_79 C2_79 H2_79 120.1 . . ?
C3_79 C2_79 H2_79 120.1 . . ?
C4_79 C3_79 C2_79 120.4(12) . . ?
C4_79 C3_79 C7_79 122.4(13) . . ?
C2_79 C3_79 C7_79 117.2(12) . . ?
C3_79 C4_79 C5_79 121.5(13) . . ?
C3_79 C4_79 H4_79 119.2 . . ?
C5_79 C4_79 H4_79 119.2 . . ?
C4_79 C5_79 C6_79 117.8(12) . . ?
C4_79 C5_79 C8_79 123.6(13) . . ?
C6_79 C5_79 C8_79 118.5(12) . . ?
C5_79 C6_79 C1_79 121.6(12) . . ?
C5_79 C6_79 H6_79 119.2 . . ?
C1_79 C6_79 H6_79 119.2 . . ?
C3_79 C7_79 H7A_79 109.5 . . ?
C3_79 C7_79 H7B_79 109.5 . . ?
H7A_79 C7_79 H7B_79 109.5 . . ?
C3_79 C7_79 H7C_79 109.5 . . ?
H7A_79 C7_79 H7C_79 109.5 . . ?
H7B_79 C7_79 H7C_79 109.5 . . ?
C5_79 C8_79 H8A_79 109.5 . . ?
C5_79 C8_79 H8B_79 109.5 . . ?
H8A_79 C8_79 H8B_79 109.5 . . ?
C5_79 C8_79 H8C_79 109.5 . . ?
H8A_79 C8_79 H8C_79 109.5 . . ?
H8B_79 C8_79 H8C_79 109.5 . . ?
C1_80 S1_80 Au78_1000 123.4(5) . . ?
C1_80 S1_80 Au69 106.9(4) . . ?
C1_80 S1_80 Au78 118.2(6) . . ?
Au69 S1_80 Au78 97.0(2) . . ?
C2_80 C1_80 C6_80 120.9(12) . . ?
C2_80 C1_80 S1_80 116.1(10) . . ?
C6_80 C1_80 S1_80 122.9(11) . . ?
C1_80 C2_80 C3_80 119.6(13) . . ?
C1_80 C2_80 H2_80 120.2 . . ?
C3_80 C2_80 H2_80 120.2 . . ?
C4_80 C3_80 C2_80 117.5(13) . . ?
C4_80 C3_80 C7_80 124.3(14) . . ?
C2_80 C3_80 C7_80 118.2(14) . . ?
C5_80 C4_80 C3_80 124.2(14) . . ?
C5_80 C4_80 H4_80 117.9 . . ?
C3_80 C4_80 H4_80 117.9 . . ?
C4_80 C5_80 C6_80 118.1(13) . . ?
C4_80 C5_80 C8_80 121.4(13) . . ?
C6_80 C5_80 C8_80 120.5(13) . . ?
C1_80 C6_80 C5_80 119.6(13) . . ?
C1_80 C6_80 H6_80 120.2 . . ?
C5_80 C6_80 H6_80 120.2 . . ?
C3_80 C7_80 H7A_80 109.5 . . ?
C3_80 C7_80 H7B_80 109.5 . . ?
H7A_80 C7_80 H7B_80 109.5 . . ?
C3_80 C7_80 H7C_80 109.5 . . ?
H7A_80 C7_80 H7C_80 109.5 . . ?
H7B_80 C7_80 H7C_80 109.5 . . ?
C5_80 C8_80 H8A_80 109.5 . . ?
C5_80 C8_80 H8B_80 109.5 . . ?
H8A_80 C8_80 H8B_80 109.5 . . ?
C5_80 C8_80 H8C_80 109.5 . . ?
H8A_80 C8_80 H8C_80 109.5 . . ?
H8B_80 C8_80 H8C_80 109.5 . . ?
C1_81 S1_81 Cd11_1000 101.2(5) . . ?
C1_81 S1_81 Au99 109.7(5) . . ?
C1_81 S1_81 Cd11 101.6(2) . . ?
Au99 S1_81 Cd11 107.6(2) . . ?
C1_81 S1_81 Au99_1000 104.1(5) . . ?
Cd11_1000 S1_81 Au99_1000 106.2(4) . . ?
C6_81 C1_81 C2_81 119.8(11) . . ?
C6_81 C1_81 S1_81 118.1(10) . . ?
C2_81 C1_81 S1_81 122.1(10) . . ?
C1_81 C2_81 C3_81 118.8(12) . . ?
C1_81 C2_81 H2_81 120.6 . . ?
C3_81 C2_81 H2_81 120.6 . . ?
C4_81 C3_81 C2_81 120.0(12) . . ?
C4_81 C3_81 C7_81 121.4(13) . . ?
C2_81 C3_81 C7_81 118.6(12) . . ?
C3_81 C4_81 C5_81 122.1(13) . . ?
C3_81 C4_81 H4_81 118.9 . . ?
C5_81 C4_81 H4_81 118.9 . . ?
C4_81 C5_81 C6_81 117.9(12) . . ?
C4_81 C5_81 C8_81 122.3(13) . . ?
C6_81 C5_81 C8_81 119.9(13) . . ?
C1_81 C6_81 C5_81 121.4(12) . . ?
C1_81 C6_81 H6_81 119.3 . . ?
C5_81 C6_81 H6_81 119.3 . . ?
C3_81 C7_81 H7A_81 109.5 . . ?
C3_81 C7_81 H7B_81 109.5 . . ?
H7A_81 C7_81 H7B_81 109.5 . . ?
C3_81 C7_81 H7C_81 109.5 . . ?
H7A_81 C7_81 H7C_81 109.5 . . ?
H7B_81 C7_81 H7C_81 109.5 . . ?
C5_81 C8_81 H8A_81 109.5 . . ?
C5_81 C8_81 H8B_81 109.5 . . ?
H8A_81 C8_81 H8B_81 109.5 . . ?
C5_81 C8_81 H8C_81 109.5 . . ?
H8A_81 C8_81 H8C_81 109.5 . . ?
H8B_81 C8_81 H8C_81 109.5 . . ?
C1_82 S1_82 Au1C_1000 119.2(17) . . ?
C1_82 S1_82 Cd9_1000 145.4(15) . . ?
Au1C_1000 S1_82 Cd9_1000 94.6(12) . . ?
C2_82 C1_82 C6_82 119.1(16) . . ?
C2_82 C1_82 S1_82 119.3(16) . . ?
C6_82 C1_82 S1_82 121.6(16) . . ?
C1_82 C2_82 C3_82 120.6(16) . . ?
C1_82 C2_82 H2_82 119.7 . . ?
C3_82 C2_82 H2_82 119.7 . . ?
C4_82 C3_82 C2_82 119.9(16) . . ?
C4_82 C3_82 C7_82 122.7(18) . . ?
C2_82 C3_82 C7_82 117.4(18) . . ?
C3_82 C4_82 C5_82 120.3(17) . . ?
C3_82 C4_82 H4_82 119.8 . . ?
C5_82 C4_82 H4_82 119.9 . . ?
C4_82 C5_82 C6_82 119.8(16) . . ?
C4_82 C5_82 C8_82 119.8(19) . . ?
C6_82 C5_82 C8_82 120.4(19) . . ?
C1_82 C6_82 C5_82 120.2(16) . . ?
C1_82 C6_82 H6_82 119.9 . . ?
C5_82 C6_82 H6_82 119.9 . . ?
C3_82 C7_82 H7A_82 109.5 . . ?
C3_82 C7_82 H7B_82 109.5 . . ?
H7A_82 C7_82 H7B_82 109.5 . . ?
C3_82 C7_82 H7C_82 109.5 . . ?
H7A_82 C7_82 H7C_82 109.5 . . ?
H7B_82 C7_82 H7C_82 109.5 . . ?
C5_82 C8_82 H8A_82 109.5 . . ?
C5_82 C8_82 H8B_82 109.5 . . ?
H8A_82 C8_82 H8B_82 109.5 . . ?
C5_82 C8_82 H8C_82 109.5 . . ?
H8A_82 C8_82 H8C_82 109.5 . . ?
H8B_82 C8_82 H8C_82 109.5 . . ?
C1A_82 S1A_82 Au1C 115.0(7) . . ?
C1A_82 S1A_82 Cd9 105.1(4) . . ?
Au1C S1A_82 Cd9 92.5(3) . . ?
C2A_82 C1A_82 C6A_82 121.7(14) . . ?
C2A_82 C1A_82 S1A_82 117.5(14) . . ?
C6A_82 C1A_82 S1A_82 120.8(14) . . ?
C1A_82 C2A_82 C3A_82 117.9(15) . . ?
C1A_82 C2A_82 H2A_82 121.1 . . ?
C3A_82 C2A_82 H2A_82 121.1 . . ?
C4A_82 C3A_82 C2A_82 121.2(15) . . ?
C4A_82 C3A_82 C7A_82 126.3(16) . . ?
C2A_82 C3A_82 C7A_82 112.5(15) . . ?
C3A_82 C4A_82 C5A_82 120.8(16) . . ?
C3A_82 C4A_82 H4A_82 119.6 . . ?
C5A_82 C4A_82 H4A_82 119.6 . . ?
C4A_82 C5A_82 C6A_82 118.7(15) . . ?
C4A_82 C5A_82 C8A_82 122.8(17) . . ?
C6A_82 C5A_82 C8A_82 118.5(16) . . ?
C1A_82 C6A_82 C5A_82 119.7(15) . . ?
C1A_82 C6A_82 H6A_82 120.1 . . ?
C5A_82 C6A_82 H6A_82 120.1 . . ?
C3A_82 C7A_82 H7AA_82 109.5 . . ?
C3A_82 C7A_82 H7AB_82 109.5 . . ?
H7AA_82 C7A_82 H7AB_82 109.5 . . ?
C3A_82 C7A_82 H7AC_82 109.5 . . ?
H7AA_82 C7A_82 H7AC_82 109.5 . . ?
H7AB_82 C7A_82 H7AC_82 109.5 . . ?
C5A_82 C8A_82 H8AA_82 109.5 . . ?
C5A_82 C8A_82 H8AB_82 109.5 . . ?
H8AA_82 C8A_82 H8AB_82 109.5 . . ?
C5A_82 C8A_82 H8AC_82 109.5 . . ?
H8AA_82 C8A_82 H8AC_82 109.5 . . ?
H8AB_82 C8A_82 H8AC_82 109.5 . . ?
C1_83 S1_83 Au75_1000 115.1(7) . . ?
C1_83 S1_83 Au75 107.3(6) . . ?
C1_83 S1_83 Cd8 101.1(3) . . ?
Au75 S1_83 Cd8 108.2(3) . . ?
C2_83 C1_83 C6_83 115.2(13) . . ?
C2_83 C1_83 S1_83 126.1(14) . . ?
C6_83 C1_83 S1_83 118.6(13) . . ?
C1_83 C2_83 C3_83 123.7(15) . . ?
C1_83 C2_83 H2_83 118.2 . . ?
C3_83 C2_83 H2_83 118.2 . . ?
C4_83 C3_83 C2_83 120.2(14) . . ?
C4_83 C3_83 C7_83 121.8(15) . . ?
C2_83 C3_83 C7_83 118.0(15) . . ?
C5_83 C4_83 C3_83 117.4(15) . . ?
C5_83 C4_83 H4_83 121.3 . . ?
C3_83 C4_83 H4_83 121.3 . . ?
C4_83 C5_83 C6_83 121.2(14) . . ?
C4_83 C5_83 C8_83 124.1(15) . . ?
C6_83 C5_83 C8_83 114.7(15) . . ?
C1_83 C6_83 C5_83 122.3(14) . . ?
C1_83 C6_83 H6_83 118.8 . . ?
C5_83 C6_83 H6_83 118.8 . . ?
C3_83 C7_83 H7A_83 109.5 . . ?
C3_83 C7_83 H7B_83 109.5 . . ?
H7A_83 C7_83 H7B_83 109.5 . . ?
C3_83 C7_83 H7C_83 109.5 . . ?
H7A_83 C7_83 H7C_83 109.5 . . ?
H7B_83 C7_83 H7C_83 109.5 . . ?
C5_83 C8_83 H8A_83 109.5 . . ?
C5_83 C8_83 H8B_83 109.5 . . ?
H8A_83 C8_83 H8B_83 109.5 . . ?
C5_83 C8_83 H8C_83 109.5 . . ?
H8A_83 C8_83 H8C_83 109.5 . . ?
H8B_83 C8_83 H8C_83 109.5 . . ?
C1_84 S1_84 Au1A 107.7(7) . . ?
C1_84 S1_84 Au89 102.2(3) . . ?
Au1A S1_84 Au89 79.6(2) . . ?
C1_84 S1_84 Au89_1000 92.8(4) . . ?
C1_84 S1_84 Au1A_1000 100.3(7) . . ?
Au89_1000 S1_84 Au1A_1000 67.5(3) . . ?
C2_84 C1_84 C6_84 120.4(12) . . ?
C2_84 C1_84 S1_84 123.1(12) . . ?
C6_84 C1_84 S1_84 116.5(12) . . ?
C1_84 C2_84 C3_84 119.3(14) . . ?
C1_84 C2_84 H2_84 120.3 . . ?
C3_84 C2_84 H2_84 120.3 . . ?
C4_84 C3_84 C2_84 118.2(14) . . ?
C4_84 C3_84 C7_84 123.8(15) . . ?
C2_84 C3_84 C7_84 118.0(15) . . ?
C3_84 C4_84 C5_84 124.3(15) . . ?
C3_84 C4_84 H4_84 117.9 . . ?
C5_84 C4_84 H4_84 117.9 . . ?
C4_84 C5_84 C6_84 117.4(14) . . ?
C4_84 C5_84 C8_84 125.6(16) . . ?
C6_84 C5_84 C8_84 117.0(15) . . ?
C5_84 C6_84 C1_84 120.4(14) . . ?
C5_84 C6_84 H6_84 119.8 . . ?
C1_84 C6_84 H6_84 119.8 . . ?
C3_84 C7_84 H7A_84 109.5 . . ?
C3_84 C7_84 H7B_84 109.5 . . ?
H7A_84 C7_84 H7B_84 109.5 . . ?
C3_84 C7_84 H7C_84 109.5 . . ?
H7A_84 C7_84 H7C_84 109.5 . . ?
H7B_84 C7_84 H7C_84 109.5 . . ?
C5_84 C8_84 H8A_84 109.5 . . ?
C5_84 C8_84 H8B_84 109.5 . . ?
H8A_84 C8_84 H8B_84 109.5 . . ?
C5_84 C8_84 H8C_84 109.5 . . ?
H8A_84 C8_84 H8C_84 109.5 . . ?
H8B_84 C8_84 H8C_84 109.5 . . ?
C1_85 S1_85 Au1I_1000 113.9(5) . . ?
C1_85 S1_85 Au97_1000 111.6(3) . . ?
Au1I_1000 S1_85 Au97_1000 99.3(4) . . ?
C1_85 S1_85 Au1I 106.1(5) . . ?
C1_85 S1_85 Au97 102.6(2) . . ?
Au1I S1_85 Au97 92.22(17) . . ?
C2_85 C1_85 C6_85 120.7(11) . . ?
C2_85 C1_85 S1_85 123.5(10) . . ?
C6_85 C1_85 S1_85 115.8(10) . . ?
C1_85 C2_85 C3_85 120.2(12) . . ?
C1_85 C2_85 H2_85 119.9 . . ?
C3_85 C2_85 H2_85 119.9 . . ?
C4_85 C3_85 C2_85 118.4(13) . . ?
C4_85 C3_85 C7_85 121.9(13) . . ?
C2_85 C3_85 C7_85 119.7(13) . . ?
C5_85 C4_85 C3_85 122.3(13) . . ?
C5_85 C4_85 H4_85 118.9 . . ?
C3_85 C4_85 H4_85 118.9 . . ?
C4_85 C5_85 C6_85 119.3(12) . . ?
C4_85 C5_85 C8_85 124.7(14) . . ?
C6_85 C5_85 C8_85 116.0(13) . . ?
C1_85 C6_85 C5_85 119.2(12) . . ?
C1_85 C6_85 H6_85 120.4 . . ?
C5_85 C6_85 H6_85 120.4 . . ?
C3_85 C7_85 H7A_85 109.5 . . ?
C3_85 C7_85 H7B_85 109.5 . . ?
H7A_85 C7_85 H7B_85 109.5 . . ?
C3_85 C7_85 H7C_85 109.5 . . ?
H7A_85 C7_85 H7C_85 109.5 . . ?
H7B_85 C7_85 H7C_85 109.5 . . ?
C5_85 C8_85 H8A_85 109.5 . . ?
C5_85 C8_85 H8B_85 109.5 . . ?
H8A_85 C8_85 H8B_85 109.5 . . ?
C5_85 C8_85 H8C_85 109.5 . . ?
H8A_85 C8_85 H8C_85 109.5 . . ?
H8B_85 C8_85 H8C_85 109.5 . . ?
C1_86 S1_86 Cd8_1000 96.3(8) . . ?
C1_86 S1_86 Au85_1000 85.3(5) . . ?
Cd8_1000 S1_86 Au85_1000 100.2(6) . . ?
C1_86 S1_86 Au85 99.0(4) . . ?
C1_86 S1_86 Cd8 107.6(6) . . ?
Au85 S1_86 Cd8 75.9(2) . . ?
C6_86 C1_86 C2_86 118.4(13) . . ?
C6_86 C1_86 S1_86 119.6(12) . . ?
C2_86 C1_86 S1_86 122.0(13) . . ?
C6_86 C1_86 Au85_1000 83.4(9) . . ?
C2_86 C1_86 Au85_1000 137.4(7) . . ?
S1_86 C1_86 Au85_1000 52.0(4) . . ?
C6_86 C1_86 Cd8_1000 152.3(9) . . ?
C2_86 C1_86 Cd8_1000 82.8(10) . . ?
S1_86 C1_86 Cd8_1000 43.2(5) . . ?
Au85_1000 C1_86 Cd8_1000 69.0(4) . . ?
C1_86 C2_86 C3_86 122.5(15) . . ?
C1_86 C2_86 H2_86 118.7 . . ?
C3_86 C2_86 H2_86 118.7 . . ?
C4_86 C3_86 C2_86 117.0(14) . . ?
C4_86 C3_86 C7_86 122.2(16) . . ?
C2_86 C3_86 C7_86 120.8(16) . . ?
C5_86 C4_86 C3_86 121.2(15) . . ?
C5_86 C4_86 H4_86 119.4 . . ?
C3_86 C4_86 H4_86 119.4 . . ?
C4_86 C5_86 C6_86 121.8(15) . . ?
C4_86 C5_86 C8_86 119.3(16) . . ?
C6_86 C5_86 C8_86 118.9(16) . . ?
C1_86 C6_86 C5_86 119.2(15) . . ?
C1_86 C6_86 H6_86 120.4 . . ?
C5_86 C6_86 H6_86 120.4 . . ?
C3_86 C7_86 H7A_86 109.5 . . ?
C3_86 C7_86 H7B_86 109.5 . . ?
H7A_86 C7_86 H7B_86 109.5 . . ?
C3_86 C7_86 H7C_86 109.5 . . ?
H7A_86 C7_86 H7C_86 109.5 . . ?
H7B_86 C7_86 H7C_86 109.5 . . ?
C5_86 C8_86 H8A_86 109.5 . . ?
C5_86 C8_86 H8B_86 109.5 . . ?
H8A_86 C8_86 H8B_86 109.5 . . ?
C5_86 C8_86 H8C_86 109.5 . . ?
H8A_86 C8_86 H8C_86 109.5 . . ?
H8B_86 C8_86 H8C_86 109.5 . . ?
C1_87 S1_87 Au90_1000 103.9(8) . . ?
C1_87 S1_87 Au80_1000 101.4(6) . . ?
Au90_1000 S1_87 Au80_1000 123.1(7) . . ?
C1_87 S1_87 Au90 107.4(7) . . ?
C1_87 S1_87 Au80 104.8(4) . . ?
Au90 S1_87 Au80 93.9(3) . . ?
C2_87 C1_87 C6_87 120.3(13) . . ?
C2_87 C1_87 S1_87 120.7(13) . . ?
C6_87 C1_87 S1_87 119.0(13) . . ?
C1_87 C2_87 C3_87 117.4(14) . . ?
C1_87 C2_87 H2_87 121.3 . . ?
C3_87 C2_87 H2_87 121.3 . . ?
C4_87 C3_87 C2_87 121.4(14) . . ?
C4_87 C3_87 C7_87 119.6(15) . . ?
C2_87 C3_87 C7_87 119.0(15) . . ?
C3_87 C4_87 C5_87 121.2(15) . . ?
C3_87 C4_87 H4_87 119.4 . . ?
C5_87 C4_87 H4_87 119.4 . . ?
C4_87 C5_87 C6_87 117.7(14) . . ?
C4_87 C5_87 C8_87 121.0(15) . . ?
C6_87 C5_87 C8_87 121.3(16) . . ?
C1_87 C6_87 C5_87 121.9(15) . . ?
C1_87 C6_87 H6_87 119.0 . . ?
C5_87 C6_87 H6_87 119.0 . . ?
C3_87 C7_87 H7A_87 109.5 . . ?
C3_87 C7_87 H7B_87 109.5 . . ?
H7A_87 C7_87 H7B_87 109.5 . . ?
C3_87 C7_87 H7C_87 109.5 . . ?
H7A_87 C7_87 H7C_87 109.5 . . ?
H7B_87 C7_87 H7C_87 109.5 . . ?
C5_87 C8_87 H8A_87 109.5 . . ?
C5_87 C8_87 H8B_87 109.5 . . ?
H8A_87 C8_87 H8B_87 109.5 . . ?
C5_87 C8_87 H8C_87 109.5 . . ?
H8A_87 C8_87 H8C_87 109.5 . . ?
H8B_87 C8_87 H8C_87 109.5 . . ?
C1_88 S1_88 Au86_1000 128.9(7) . . ?
C1_88 S1_88 Au90 113.2(5) . . ?
C1_88 S1_88 Au86 122.3(6) . . ?
Au90 S1_88 Au86 97.6(3) . . ?
C1_88 S1_88 Au90_1000 106.2(6) . . ?
Au86_1000 S1_88 Au90_1000 90.5(4) . . ?
C2_88 C1_88 C6_88 124.1(14) . . ?
C2_88 C1_88 S1_88 122.5(13) . . ?
C6_88 C1_88 S1_88 113.4(12) . . ?
C1_88 C2_88 C3_88 118.7(14) . . ?
C1_88 C2_88 H2_88 120.7 . . ?
C3_88 C2_88 H2_88 120.7 . . ?
C4_88 C3_88 C2_88 117.0(14) . . ?
C4_88 C3_88 C7_88 123.1(16) . . ?
C2_88 C3_88 C7_88 119.9(16) . . ?
C3_88 C4_88 C5_88 125.6(16) . . ?
C3_88 C4_88 H4_88 117.2 . . ?
C5_88 C4_88 H4_88 117.2 . . ?
C4_88 C5_88 C6_88 117.7(15) . . ?
C4_88 C5_88 C8_88 126.6(17) . . ?
C6_88 C5_88 C8_88 115.7(16) . . ?
C5_88 C6_88 C1_88 116.9(14) . . ?
C5_88 C6_88 H6_88 121.6 . . ?
C1_88 C6_88 H6_88 121.6 . . ?
C3_88 C7_88 H7A_88 109.5 . . ?
C3_88 C7_88 H7B_88 109.5 . . ?
H7A_88 C7_88 H7B_88 109.5 . . ?
C3_88 C7_88 H7C_88 109.5 . . ?
H7A_88 C7_88 H7C_88 109.5 . . ?
H7B_88 C7_88 H7C_88 109.5 . . ?
C5_88 C8_88 H8A_88 109.5 . . ?
C5_88 C8_88 H8B_88 109.5 . . ?
H8A_88 C8_88 H8B_88 109.5 . . ?
C5_88 C8_88 H8C_88 109.5 . . ?
H8A_88 C8_88 H8C_88 109.5 . . ?
H8B_88 C8_88 H8C_88 109.5 . . ?
C1_89 S1_89 Au1F_1000 107.2(8) . . ?
C1_89 S1_89 Au88_1000 101.9(5) . . ?
Au1F_1000 S1_89 Au88_1000 92.4(5) . . ?
C1_89 S1_89 Au88 103.7(4) . . ?
C1_89 S1_89 Au1F 106.3(7) . . ?
Au88 S1_89 Au1F 79.3(2) . . ?
C6_89 C1_89 C2_89 118.0(14) . . ?
C6_89 C1_89 S1_89 119.1(13) . . ?
C2_89 C1_89 S1_89 122.9(13) . . ?
C1_89 C2_89 C3_89 120.1(15) . . ?
C1_89 C2_89 H2_89 120.0 . . ?
C3_89 C2_89 H2_89 120.0 . . ?
C4_89 C3_89 C2_89 121.2(15) . . ?
C4_89 C3_89 C7_89 121.1(16) . . ?
C2_89 C3_89 C7_89 117.7(16) . . ?
C3_89 C4_89 C5_89 118.9(16) . . ?
C3_89 C4_89 H4_89 120.6 . . ?
C5_89 C4_89 H4_89 120.6 . . ?
C4_89 C5_89 C6_89 120.9(15) . . ?
C4_89 C5_89 C8_89 121.1(17) . . ?
C6_89 C5_89 C8_89 118.0(16) . . ?
C1_89 C6_89 C5_89 121.0(15) . . ?
C1_89 C6_89 H6_89 119.5 . . ?
C5_89 C6_89 H6_89 119.5 . . ?
C3_89 C7_89 H7A_89 109.5 . . ?
C3_89 C7_89 H7B_89 109.5 . . ?
H7A_89 C7_89 H7B_89 109.5 . . ?
C3_89 C7_89 H7C_89 109.5 . . ?
H7A_89 C7_89 H7C_89 109.5 . . ?
H7B_89 C7_89 H7C_89 109.5 . . ?
C5_89 C8_89 H8A_89 109.5 . . ?
C5_89 C8_89 H8B_89 109.5 . . ?
H8A_89 C8_89 H8B_89 109.5 . . ?
C5_89 C8_89 H8C_89 109.5 . . ?
H8A_89 C8_89 H8C_89 109.5 . . ?
H8B_89 C8_89 H8C_89 109.5 . . ?
C1_90 S1_90 Au80_1000 101.0(14) . . ?
C1_90 S1_90 Cd8_1000 141.2(15) . . ?
Au80_1000 S1_90 Cd8_1000 115.9(13) . . ?
C2_90 C1_90 C6_90 119.9(15) . . ?
C2_90 C1_90 S1_90 123.1(16) . . ?
C6_90 C1_90 S1_90 117.0(15) . . ?
C1_90 C2_90 C3_90 119.8(16) . . ?
C1_90 C2_90 H2_90 120.1 . . ?
C3_90 C2_90 H2_90 120.1 . . ?
C4_90 C3_90 C2_90 119.1(16) . . ?
C4_90 C3_90 C7_90 120.9(19) . . ?
C2_90 C3_90 C7_90 120.0(19) . . ?
C5_90 C4_90 C3_90 122.1(17) . . ?
C5_90 C4_90 H4_90 118.9 . . ?
C3_90 C4_90 H4_90 119.0 . . ?
C4_90 C5_90 C6_90 118.6(16) . . ?
C4_90 C5_90 C8_90 123.0(18) . . ?
C6_90 C5_90 C8_90 118.4(18) . . ?
C1_90 C6_90 C5_90 120.5(16) . . ?
C1_90 C6_90 H6_90 119.7 . . ?
C5_90 C6_90 H6_90 119.8 . . ?
C3_90 C7_90 H7A_90 109.5 . . ?
C3_90 C7_90 H7B_90 109.5 . . ?
H7A_90 C7_90 H7B_90 109.5 . . ?
C3_90 C7_90 H7C_90 109.5 . . ?
H7A_90 C7_90 H7C_90 109.5 . . ?
H7B_90 C7_90 H7C_90 109.5 . . ?
C5_90 C8_90 H8A_90 109.5 . . ?
C5_90 C8_90 H8B_90 109.5 . . ?
H8A_90 C8_90 H8B_90 109.5 . . ?
C5_90 C8_90 H8C_90 109.5 . . ?
H8A_90 C8_90 H8C_90 109.5 . . ?
H8B_90 C8_90 H8C_90 109.5 . . ?
C1A_90 S1A_90 Au80 124.7(9) . . ?
C1A_90 S1A_90 Cd8 101.9(6) . . ?
Au80 S1A_90 Cd8 103.2(4) . . ?
C2A_90 C1A_90 C6A_90 119.2(14) . . ?
C2A_90 C1A_90 S1A_90 119.6(14) . . ?
C6A_90 C1A_90 S1A_90 121.2(14) . . ?
C1A_90 C2A_90 C3A_90 119.0(16) . . ?
C1A_90 C2A_90 H2A_90 120.5 . . ?
C3A_90 C2A_90 H2A_90 120.5 . . ?
C4A_90 C3A_90 C2A_90 121.9(15) . . ?
C4A_90 C3A_90 C7A_90 123.5(17) . . ?
C2A_90 C3A_90 C7A_90 114.6(17) . . ?
C5A_90 C4A_90 C3A_90 119.0(16) . . ?
C5A_90 C4A_90 H4A_90 120.5 . . ?
C3A_90 C4A_90 H4A_90 120.5 . . ?
C4A_90 C5A_90 C6A_90 119.8(15) . . ?
C4A_90 C5A_90 C8A_90 122.9(17) . . ?
C6A_90 C5A_90 C8A_90 117.3(17) . . ?
C1A_90 C6A_90 C5A_90 121.0(15) . . ?
C1A_90 C6A_90 H6A_90 119.5 . . ?
C5A_90 C6A_90 H6A_90 119.5 . . ?
C3A_90 C7A_90 H7AA_90 109.5 . . ?
C3A_90 C7A_90 H7AB_90 109.5 . . ?
H7AA_90 C7A_90 H7AB_90 109.5 . . ?
C3A_90 C7A_90 H7AC_90 109.5 . . ?
H7AA_90 C7A_90 H7AC_90 109.5 . . ?
H7AB_90 C7A_90 H7AC_90 109.5 . . ?
C5A_90 C8A_90 H8AA_90 109.5 . . ?
C5A_90 C8A_90 H8AB_90 109.5 . . ?
H8AA_90 C8A_90 H8AB_90 109.5 . . ?
C5A_90 C8A_90 H8AC_90 109.4 . . ?
H8AA_90 C8A_90 H8AC_90 109.5 . . ?
H8AB_90 C8A_90 H8AC_90 109.5 . . ?
C1A_91 S1A_91 Au1C_1000 98.4(16) . . ?
C1A_91 S1A_91 Cd8_1000 114.8(14) . . ?
Au1C_1000 S1A_91 Cd8_1000 90.9(15) . . ?
C2A_91 C1A_91 C6A_91 119.7(15) . . ?
C2A_91 C1A_91 S1A_91 121.7(17) . . ?
C6A_91 C1A_91 S1A_91 118.6(17) . . ?
C1A_91 C2A_91 C3A_91 120.5(16) . . ?
C1A_91 C2A_91 H2A_91 119.8 . . ?
C3A_91 C2A_91 H2A_91 119.8 . . ?
C4A_91 C3A_91 C2A_91 118.6(16) . . ?
C4A_91 C3A_91 C7A_91 121.2(19) . . ?
C2A_91 C3A_91 C7A_91 120.2(19) . . ?
C3A_91 C4A_91 C5A_91 122.2(17) . . ?
C3A_91 C4A_91 H4A_91 118.9 . . ?
C5A_91 C4A_91 H4A_91 118.9 . . ?
C4A_91 C5A_91 C6A_91 119.3(16) . . ?
C4A_91 C5A_91 C8A_91 121.0(18) . . ?
C6A_91 C5A_91 C8A_91 119.7(18) . . ?
C1A_91 C6A_91 C5A_91 119.7(16) . . ?
C1A_91 C6A_91 H6A_91 120.1 . . ?
C5A_91 C6A_91 H6A_91 120.1 . . ?
C3A_91 C7A_91 H7AA_91 109.5 . . ?
C3A_91 C7A_91 H7AB_91 109.5 . . ?
H7AA_91 C7A_91 H7AB_91 109.5 . . ?
C3A_91 C7A_91 H7AC_91 109.5 . . ?
H7AA_91 C7A_91 H7AC_91 109.5 . . ?
H7AB_91 C7A_91 H7AC_91 109.5 . . ?
C5A_91 C8A_91 H8AA_91 109.5 . . ?
C5A_91 C8A_91 H8AB_91 109.4 . . ?
H8AA_91 C8A_91 H8AB_91 109.5 . . ?
C5A_91 C8A_91 H8AC_91 109.5 . . ?
H8AA_91 C8A_91 H8AC_91 109.5 . . ?
H8AB_91 C8A_91 H8AC_91 109.5 . . ?
C1_91 S1_91 Au1C 105.4(7) . . ?
C1_91 S1_91 Cd8 100.8(5) . . ?
Au1C S1_91 Cd8 96.3(4) . . ?
C2_91 C1_91 C6_91 120.7(13) . . ?
C2_91 C1_91 S1_91 115.6(12) . . ?
C6_91 C1_91 S1_91 123.7(13) . . ?
C1_91 C2_91 C3_91 118.6(14) . . ?
C1_91 C2_91 H2_91 120.7 . . ?
C3_91 C2_91 H2_91 120.7 . . ?
C4_91 C3_91 C2_91 120.0(14) . . ?
C4_91 C3_91 C7_91 122.7(16) . . ?
C2_91 C3_91 C7_91 117.2(16) . . ?
C3_91 C4_91 C5_91 122.3(15) . . ?
C3_91 C4_91 H4_91 118.9 . . ?
C5_91 C4_91 H4_91 118.9 . . ?
C4_91 C5_91 C6_91 118.0(14) . . ?
C4_91 C5_91 C8_91 121.7(16) . . ?
C6_91 C5_91 C8_91 120.4(16) . . ?
C1_91 C6_91 C5_91 120.4(14) . . ?
C1_91 C6_91 H6_91 119.8 . . ?
C5_91 C6_91 H6_91 119.8 . . ?
C3_91 C7_91 H7A_91 109.5 . . ?
C3_91 C7_91 H7B_91 109.5 . . ?
H7A_91 C7_91 H7B_91 109.5 . . ?
C3_91 C7_91 H7C_91 109.5 . . ?
H7A_91 C7_91 H7C_91 109.5 . . ?
H7B_91 C7_91 H7C_91 109.5 . . ?
C5_91 C8_91 H8A_91 109.5 . . ?
C5_91 C8_91 H8B_91 109.5 . . ?
H8A_91 C8_91 H8B_91 109.5 . . ?
C5_91 C8_91 H8C_91 109.5 . . ?
H8A_91 C8_91 H8C_91 109.5 . . ?
H8B_91 C8_91 H8C_91 109.5 . . ?
C1_92 S1_92 Au66 154.6(11) . . ?
C1_92 S1_92 Au65 118.2(9) . . ?
Au66 S1_92 Au65 79.4(4) . . ?
C2_92 C1_92 C6_92 120.4(15) . . ?
C2_92 C1_92 S1_92 118.6(14) . . ?
C6_92 C1_92 S1_92 121.1(14) . . ?
C1_92 C2_92 C3_92 120.6(16) . . ?
C1_92 C2_92 H2_92 119.7 . . ?
C3_92 C2_92 H2_92 119.7 . . ?
C4_92 C3_92 C2_92 118.4(15) . . ?
C4_92 C3_92 C7_92 122.5(18) . . ?
C2_92 C3_92 C7_92 119.1(18) . . ?
C5_92 C4_92 C3_92 121.9(17) . . ?
C5_92 C4_92 H4_92 119.0 . . ?
C3_92 C4_92 H4_92 119.1 . . ?
C4_92 C5_92 C6_92 120.2(16) . . ?
C4_92 C5_92 C8_92 118.8(18) . . ?
C6_92 C5_92 C8_92 121.0(18) . . ?
C1_92 C6_92 C5_92 118.6(16) . . ?
C1_92 C6_92 H6_92 120.7 . . ?
C5_92 C6_92 H6_92 120.7 . . ?
C3_92 C7_92 H7A_92 109.5 . . ?
C3_92 C7_92 H7B_92 109.5 . . ?
H7A_92 C7_92 H7B_92 109.5 . . ?
C3_92 C7_92 H7C_92 109.5 . . ?
H7A_92 C7_92 H7C_92 109.5 . . ?
H7B_92 C7_92 H7C_92 109.5 . . ?
C5_92 C8_92 H8A_92 109.4 . . ?
C5_92 C8_92 H8B_92 109.5 . . ?
H8A_92 C8_92 H8B_92 109.5 . . ?
C5_92 C8_92 H8C_92 109.5 . . ?
H8A_92 C8_92 H8C_92 109.5 . . ?
H8B_92 C8_92 H8C_92 109.5 . . ?

_refine_diff_density_max         2.907
_refine_diff_density_min         -2.697
_refine_diff_density_rms         0.222


# start Validation Reply Form
_vrf_PLAT342_20200323zhuya_lx_0m_sq 
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............     0.0203 Ang.  
RESPONSE: Diordered ligand lowered the bond precision
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# end Validation Reply Form
