# Electronic Supplementary Material (ESI) for Nanoscale.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 2262058'
loop_
_audit_author_name
_audit_author_address
'Xuejuan Zou'
;Anhui University
China
;
_audit_update_record             
;
2023-05-10 deposited with the CCDC.	2023-08-08 downloaded from the CCDC.
;
_audit_creation_date             2023-05-10
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C136 H128 Ag9 Au5 Cu2 O2 P4 S8'
_chemical_formula_sum            'C136 H128 Ag9 Au5 Cu2 O2 P4 S8'
_chemical_formula_weight         4257.48
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -4.4197 7.2980 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu -1.9646 0.5888 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'I 1 2/a 1'
_space_group_name_Hall           '-I 2ya'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y, z'
'-x+1/2, -y+1/2, -z+1/2'
'x, -y+1/2, z+1/2'

_cell_length_a                   28.0881(3)
_cell_length_b                   18.3857(2)
_cell_length_c                   82.4807(10)
_cell_angle_alpha                90
_cell_angle_beta                 91.5410(10)
_cell_angle_gamma                90
_cell_volume                     42579.2(8)
_cell_formula_units_Z            12
_cell_measurement_reflns_used    59041
_cell_measurement_temperature    120
_cell_measurement_theta_max      69.71
_cell_measurement_theta_min      4.81
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    21.347
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.4354
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
STOE LANA, absorption correction by scaling of reflection intensities.
J. Koziskova, F. Hahn, J. Richter, J. Kozisek, "Comparison of different
absorption corrections on the model structure of tetrakis(μ₂-acetato)-
diaqua-di-copper(II)", Acta Chimica Slovaca, vol. 9, no. 2, 2016, pp. 136 - 140.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.992
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             24288
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0905
_diffrn_reflns_av_unetI/netI     0.1024
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.982
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       64
_diffrn_reflns_limit_l_min       -100
_diffrn_reflns_number            196619
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.982
_diffrn_reflns_theta_full        67.686
_diffrn_reflns_theta_max         69.641
_diffrn_reflns_theta_min         4.009
_diffrn_ambient_temperature      120
_diffrn_detector                 Pilatus300K
_diffrn_detector_area_resol_mean 5.81
_diffrn_detector_type            'DECTRIS PILATUS 300K'
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_details      '2201 frames, detector distance = 60 mm'
_diffrn_measurement_device       'Eulerian 4-circle diffractometer'
_diffrn_measurement_device_type  'STOE STADIVARI'
_diffrn_measurement_method       'rotation method, ω scans'
_diffrn_radiation_collimation    '1.2 mm, 0.6 diameter'
_diffrn_radiation_monochromator  'Graded multilayer mirror'
_diffrn_radiation_polarisn_norm  270
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54186
_diffrn_source                   'GeniX 3D HF Cu'
_diffrn_source_current           0.600
_diffrn_source_power             0.030
_diffrn_source_voltage           50
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                23449
_reflns_number_total             39370
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'X-Area Recipe 1.33.0.0 (STOE, 2015)'
_computing_data_collection       'X-Area Pilatus3_SV 1.31.153.0 (STOE, 2018)'
_computing_data_reduction        
;
X-Area Integrate 1.74.2.0 (STOE, 2018)
X-Area LANA 1.75.3.0 (STOE, 2018)
;
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.663
_refine_diff_density_min         -1.082
_refine_diff_density_rms         0.182
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.821
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2183
_refine_ls_number_reflns         39370
_refine_ls_number_restraints     2448
_refine_ls_R_factor_all          0.0753
_refine_ls_R_factor_gt           0.0423
_refine_ls_restrained_S_all      0.807
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0394P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0892
_refine_ls_wR_factor_ref         0.0952
_refine_special_details          ?
_olex2_refinement_description    
;
1. Uiso/Uaniso restraints and constraints
C01J \\sim C02E \\sim C05M \\sim C05G \\sim C039 \\sim C01W \\sim C01K \\sim
C01L \\sim C01N \\sim C01O \\sim C01P \\sim C01U \\sim C01V \\sim C01X \\sim
C01Y \\sim C01Z \\sim C020 \\sim C022 \\sim C023 \\sim C024 \\sim C025 \\sim
C026 \\sim C027 \\sim C028 \\sim C029 \\sim C02A \\sim C02B \\sim C02D \\sim
C02F \\sim C02H \\sim C02I \\sim C02J \\sim C02K \\sim C02L \\sim C02O \\sim
C02P \\sim C02Q \\sim C02S \\sim C044 \\sim C02M \\sim C02R \\sim C021 \\sim
C01T \\sim C02T \\sim C02U \\sim C02V \\sim C02W \\sim C02X \\sim C02Y \\sim
C02Z \\sim C030 \\sim C031 \\sim C036 \\sim C052 \\sim C05H \\sim C070 \\sim
C05Y \\sim C032 \\sim C033 \\sim C034 \\sim C035 \\sim C037 \\sim C038 \\sim
C03A \\sim C03B \\sim C04C \\sim C06H \\sim C06S \\sim C072 \\sim C06Q \\sim
C03C \\sim C03D \\sim C03E \\sim C03F \\sim C03G \\sim C03H \\sim C03I \\sim
C03J \\sim C03K \\sim C03L \\sim C03M \\sim C03N \\sim C03O \\sim C03P \\sim
C03Q \\sim C03R \\sim C03S \\sim C03T \\sim C03U \\sim C03V \\sim C03W \\sim
C03X \\sim C03Y \\sim C03Z \\sim C040 \\sim C041 \\sim C042 \\sim C045 \\sim
C046 \\sim C047 \\sim C048 \\sim C049 \\sim C04A \\sim C04B \\sim C04D \\sim
C04E \\sim C04F \\sim C04G \\sim C04H \\sim C04I \\sim C053 \\sim C05R \\sim
C06U \\sim C06W \\sim C06A \\sim C04J \\sim C04L \\sim C04M \\sim C04N \\sim
C04O \\sim C04P \\sim C04Q \\sim C02N \\sim C02C \\sim C04K \\sim C02G \\sim
C043 \\sim C04R \\sim C04S \\sim C04T \\sim C04U \\sim C04V \\sim C04W \\sim
C04X \\sim C04Y \\sim C04Z \\sim C050 \\sim C051 \\sim C054 \\sim C055 \\sim
C056 \\sim C057 \\sim C058 \\sim C059 \\sim C05A \\sim C05B \\sim C05C \\sim
C05D \\sim C05E \\sim C05F \\sim C078 \\sim C07H \\sim C07E \\sim C077 \\sim
C06T \\sim C05I \\sim C05J \\sim C05K \\sim C05L \\sim C05N \\sim C05O \\sim
C05P \\sim C05Q \\sim C05S \\sim C05T \\sim C05U \\sim C05V \\sim C05W \\sim
C05Z \\sim C060 \\sim C061 \\sim C062 \\sim C063 \\sim C064 \\sim C065 \\sim
C066 \\sim C067 \\sim C068 \\sim C069 \\sim C06B \\sim C06C \\sim C06D \\sim
C06E \\sim C06F \\sim C06G \\sim C06I \\sim C06J \\sim C06K \\sim C06L \\sim
C06N \\sim C06O \\sim C06P \\sim C06R \\sim C06V \\sim C06X \\sim C06Y \\sim
C071 \\sim C073 \\sim C074 \\sim C075 \\sim C076 \\sim C07A \\sim C07C \\sim
C13: within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02 within 2A
Uanis(C01J) \\sim Ueq, Uanis(C02E) \\sim Ueq, Uanis(C05M) \\sim Ueq,
Uanis(C05G) \\sim Ueq, Uanis(C039) \\sim Ueq, Uanis(C01W) \\sim Ueq,
Uanis(C01K) \\sim Ueq, Uanis(C01L) \\sim Ueq, Uanis(C01N) \\sim Ueq,
Uanis(C01O) \\sim Ueq, Uanis(C01P) \\sim Ueq, Uanis(C01U) \\sim Ueq,
Uanis(C01V) \\sim Ueq, Uanis(C01X) \\sim Ueq, Uanis(C01Y) \\sim Ueq,
Uanis(C01Z) \\sim Ueq, Uanis(C020) \\sim Ueq, Uanis(C022) \\sim Ueq,
Uanis(C023) \\sim Ueq, Uanis(C024) \\sim Ueq, Uanis(C025) \\sim Ueq,
Uanis(C026) \\sim Ueq, Uanis(C027) \\sim Ueq, Uanis(C028) \\sim Ueq,
Uanis(C029) \\sim Ueq, Uanis(C02A) \\sim Ueq, Uanis(C02B) \\sim Ueq,
Uanis(C02D) \\sim Ueq, Uanis(C02F) \\sim Ueq, Uanis(C02H) \\sim Ueq,
Uanis(C02I) \\sim Ueq, Uanis(C02J) \\sim Ueq, Uanis(C02K) \\sim Ueq,
Uanis(C02L) \\sim Ueq, Uanis(C02O) \\sim Ueq, Uanis(C02P) \\sim Ueq,
Uanis(C02Q) \\sim Ueq, Uanis(C02S) \\sim Ueq, Uanis(C044) \\sim Ueq,
Uanis(C02M) \\sim Ueq, Uanis(C02R) \\sim Ueq, Uanis(C021) \\sim Ueq,
Uanis(C01T) \\sim Ueq, Uanis(C02T) \\sim Ueq, Uanis(C02U) \\sim Ueq,
Uanis(C02V) \\sim Ueq, Uanis(C02W) \\sim Ueq, Uanis(C02X) \\sim Ueq,
Uanis(C02Y) \\sim Ueq, Uanis(C02Z) \\sim Ueq, Uanis(C030) \\sim Ueq,
Uanis(C031) \\sim Ueq, Uanis(C036) \\sim Ueq, Uanis(C052) \\sim Ueq,
Uanis(C05H) \\sim Ueq, Uanis(C070) \\sim Ueq, Uanis(C05Y) \\sim Ueq,
Uanis(C032) \\sim Ueq, Uanis(C033) \\sim Ueq, Uanis(C034) \\sim Ueq,
Uanis(C035) \\sim Ueq, Uanis(C037) \\sim Ueq, Uanis(C038) \\sim Ueq,
Uanis(C03A) \\sim Ueq, Uanis(C03B) \\sim Ueq, Uanis(C04C) \\sim Ueq,
Uanis(C06H) \\sim Ueq, Uanis(C06S) \\sim Ueq, Uanis(C072) \\sim Ueq,
Uanis(C06Q) \\sim Ueq, Uanis(C03C) \\sim Ueq, Uanis(C03D) \\sim Ueq,
Uanis(C03E) \\sim Ueq, Uanis(C03F) \\sim Ueq, Uanis(C03G) \\sim Ueq,
Uanis(C03H) \\sim Ueq, Uanis(C03I) \\sim Ueq, Uanis(C03J) \\sim Ueq,
Uanis(C03K) \\sim Ueq, Uanis(C03L) \\sim Ueq, Uanis(C03M) \\sim Ueq,
Uanis(C03N) \\sim Ueq, Uanis(C03O) \\sim Ueq, Uanis(C03P) \\sim Ueq,
Uanis(C03Q) \\sim Ueq, Uanis(C03R) \\sim Ueq, Uanis(C03S) \\sim Ueq,
Uanis(C03T) \\sim Ueq, Uanis(C03U) \\sim Ueq, Uanis(C03V) \\sim Ueq,
Uanis(C03W) \\sim Ueq, Uanis(C03X) \\sim Ueq, Uanis(C03Y) \\sim Ueq,
Uanis(C03Z) \\sim Ueq, Uanis(C040) \\sim Ueq, Uanis(C041) \\sim Ueq,
Uanis(C042) \\sim Ueq, Uanis(C045) \\sim Ueq, Uanis(C046) \\sim Ueq,
Uanis(C047) \\sim Ueq, Uanis(C048) \\sim Ueq, Uanis(C049) \\sim Ueq,
Uanis(C04A) \\sim Ueq, Uanis(C04B) \\sim Ueq, Uanis(C04D) \\sim Ueq,
Uanis(C04E) \\sim Ueq, Uanis(C04F) \\sim Ueq, Uanis(C04G) \\sim Ueq,
Uanis(C04H) \\sim Ueq, Uanis(C04I) \\sim Ueq, Uanis(C053) \\sim Ueq,
Uanis(C05R) \\sim Ueq, Uanis(C06U) \\sim Ueq, Uanis(C06W) \\sim Ueq,
Uanis(C06A) \\sim Ueq, Uanis(C04J) \\sim Ueq, Uanis(C04L) \\sim Ueq,
Uanis(C04M) \\sim Ueq, Uanis(C04N) \\sim Ueq, Uanis(C04O) \\sim Ueq,
Uanis(C04P) \\sim Ueq, Uanis(C04Q) \\sim Ueq, Uanis(C02N) \\sim Ueq,
Uanis(C02C) \\sim Ueq, Uanis(C04K) \\sim Ueq, Uanis(C02G) \\sim Ueq,
Uanis(C043) \\sim Ueq, Uanis(C04R) \\sim Ueq, Uanis(C04S) \\sim Ueq,
Uanis(C04T) \\sim Ueq, Uanis(C04U) \\sim Ueq, Uanis(C04V) \\sim Ueq,
Uanis(C04W) \\sim Ueq, Uanis(C04X) \\sim Ueq, Uanis(C04Y) \\sim Ueq,
Uanis(C04Z) \\sim Ueq, Uanis(C050) \\sim Ueq, Uanis(C051) \\sim Ueq,
Uanis(C054) \\sim Ueq, Uanis(C055) \\sim Ueq, Uanis(C056) \\sim Ueq,
Uanis(C057) \\sim Ueq, Uanis(C058) \\sim Ueq, Uanis(C059) \\sim Ueq,
Uanis(C05A) \\sim Ueq, Uanis(C05B) \\sim Ueq, Uanis(C05C) \\sim Ueq,
Uanis(C05D) \\sim Ueq, Uanis(C05E) \\sim Ueq, Uanis(C05F) \\sim Ueq,
Uanis(C078) \\sim Ueq, Uanis(C07H) \\sim Ueq, Uanis(C07E) \\sim Ueq,
Uanis(C077) \\sim Ueq, Uanis(C06T) \\sim Ueq, Uanis(C05I) \\sim Ueq,
Uanis(C05J) \\sim Ueq, Uanis(C05K) \\sim Ueq, Uanis(C05L) \\sim Ueq,
Uanis(C05N) \\sim Ueq, Uanis(C05O) \\sim Ueq, Uanis(C05P) \\sim Ueq,
Uanis(C05Q) \\sim Ueq, Uanis(C05S) \\sim Ueq, Uanis(C05T) \\sim Ueq,
Uanis(C05U) \\sim Ueq, Uanis(C05V) \\sim Ueq, Uanis(C05W) \\sim Ueq,
Uanis(C05Z) \\sim Ueq, Uanis(C060) \\sim Ueq, Uanis(C061) \\sim Ueq,
Uanis(C062) \\sim Ueq, Uanis(C063) \\sim Ueq, Uanis(C064) \\sim Ueq,
Uanis(C065) \\sim Ueq, Uanis(C066) \\sim Ueq, Uanis(C067) \\sim Ueq,
Uanis(C068) \\sim Ueq, Uanis(C069) \\sim Ueq, Uanis(C06B) \\sim Ueq,
Uanis(C06C) \\sim Ueq, Uanis(C06D) \\sim Ueq, Uanis(C06E) \\sim Ueq,
Uanis(C06F) \\sim Ueq, Uanis(C06G) \\sim Ueq, Uanis(C06I) \\sim Ueq,
Uanis(C06J) \\sim Ueq, Uanis(C06K) \\sim Ueq, Uanis(C06L) \\sim Ueq,
Uanis(C06N) \\sim Ueq, Uanis(C06O) \\sim Ueq, Uanis(C06P) \\sim Ueq,
Uanis(C06R) \\sim Ueq, Uanis(C06V) \\sim Ueq, Uanis(C06X) \\sim Ueq,
Uanis(C06Y) \\sim Ueq, Uanis(C071) \\sim Ueq, Uanis(C073) \\sim Ueq,
Uanis(C074) \\sim Ueq, Uanis(C075) \\sim Ueq, Uanis(C076) \\sim Ueq,
Uanis(C07A) \\sim Ueq, Uanis(C07C) \\sim Ueq, Uanis(C13) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
2.a Aromatic/amide H refined with riding coordinates:
 C02E(H02E), C05M(H5), C05G(H6), C039(H039), C01W(H01W), C01K(H01K),
 C01P(H01P), C01U(H01U), C023(H023), C029(H029), C02F(H02F), C02H(H02H),
 C02I(H02I), C02J(H02J), C02K(H02K), C02L(H02L), C02P(H02P), C02S(H02S),
 C044(H044), C02M(H02M), C02R(H02R), C021(H021), C02T(H02T), C02U(H02U),
 C02W(H02W), C02X(H02X), C02Y(H02Y), C036(H036), C052(H052), C05H(H05H),
 C070(H070), C05Y(H05Y), C032(H032), C033(H033), C034(H034), C035(H035),
 C03A(H03A), C06H(H06U), C06S(H06V), C072(H072), C03C(H03I), C03F(H03F),
 C03G(H03J), C03H(H03N), C03K(H03K), C03L(H03L), C03M(H03M), C03P(H03P),
 C03Q(H03Q), C03R(H03R), C03U(H03U), C03V(H03V), C03W(H03W), C03Z(H03Z),
 C040(H040), C041(H041), C042(H042), C045(H045), C046(H046), C04A(H04A),
 C04B(H04B), C04D(H04D), C04G(H04G), C04H(H04H), C05R(H7), C06U(H06W),
 C06W(H06X), C04L(H04L), C04M(H04M), C04N(H04W), C04O(H04O), C04P(H04P),
 C02C(H02C), C04K(H04), C02G(H02G), C043(H043), C04R(H04R), C04S(H04S),
 C04U(H04U), C04V(H04V), C04X(H04X), C04Y(H04Y), C04Z(H04Z), C050(H050),
 C054(H054), C055(H055), C059(H059), C05A(H05G), C05C(H05L), C05D(H05M),
 C05E(H05N), C07H(H07H), C07E(H07G), C077(H077), C05I(H05O), C05K(H05S),
 C05L(H05T), C05N(H8), C05O(H05U), C05Q(H05Z), C05S(H05), C05T(H1), C05W(H3),
 C05Z(H4), C060(H060), C062(H062), C064(H064), C065(H065), C068(H068),
 C069(H069), C06B(H06D), C06D(H06H), C06F(H06I), C06G(H06J), C06O(H06Q),
 C06R(H10), C06Y(H06Y), C071(H071), C074(H074), C076(H076)
2.b Fitted hexagon refined as free rotating group:
 C01J(C02E,C05M,C05G,C039,C01W), C02S(C044,C02M,C02R,C021,C01T), C031(C036,
 C052,C05H,C070,C05Y), C03B(C04C,C06H,C06S,C072,C06Q), C04I(C053,C05R,C06U,C06W,
 C06A), C04Q(C02N,C02C,C04K,C02G,C043), C05F(C078,C07H,C07E,C077,C06T)
2.c Idealised Me refined as rotating group:
 C03I(H03B,H03C,H03D), C03T(H03E,H03G,H03H), C048(H04I,H04J,H04K), C04F(H04N,
 H04Q,H04T), C04T(H04C,H04E,H04F), C051(H05A,H05B,H05C), C056(H05D,H05E,H05F),
 C05B(H05I,H05J,H05K), C05J(H05P,H05Q,H05R), C05P(H05V,H05W,H05X), C05V(H2,H,
 HA), C067(H06A,H06B,H06C), C06C(H06E,H06F,H06G), C06E(H06Z,HB,HC), C06I(H06,HD,
 HE), C06J(H9,HF,HG), C06K(H06K,H06L,H06M), C06N(H06N,H06O,H06P), C06V(H06R,
 H06S,H06T), C06X(H11,HH,HI), C073(H07A,H07B,H07C), C075(H07I,H07J,H07K),
 C07A(H07D,H07E,H07F), C13(H13A,H13B,H13C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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
Au01 Au 0.61913(2) 0.75176(2) 0.66479(2) 0.02018(8) Uani 1 1 d . . . . .
Au02 Au 0.250000 0.74205(3) 0.500000 0.02327(12) Uani 1 2 d S T P . .
Au03 Au 0.53490(2) 0.69893(2) 0.65358(2) 0.02336(9) Uani 1 1 d . . . . .
Au04 Au 0.55159(2) 0.73564(2) 0.68768(2) 0.02372(9) Uani 1 1 d . . . . .
Au05 Au 0.70450(2) 0.80608(2) 0.67603(2) 0.02638(9) Uani 1 1 d . . . . .
Au06 Au 0.33098(2) 0.82049(2) 0.50073(2) 0.02755(9) Uani 1 1 d . . . . .
Au07 Au 0.33128(2) 0.66318(2) 0.49995(2) 0.02847(10) Uani 1 1 d . . . . .
Au08 Au 0.68689(2) 0.76659(2) 0.64252(2) 0.02665(9) Uani 1 1 d . . . . .
Ag09 Ag 0.69480(2) 0.65098(4) 0.66579(2) 0.02267(15) Uani 1 1 d . . . . .
Ag0A Ag 0.54162(2) 0.84892(4) 0.66167(2) 0.02232(14) Uani 1 1 d . . . . .
Ag0B Ag 0.59734(2) 0.60766(4) 0.67326(2) 0.02486(15) Uani 1 1 d . . . . .
Ag0C Ag 0.61511(2) 0.85917(4) 0.68837(2) 0.02501(15) Uani 1 1 d . . . . .
Ag0D Ag 0.19583(2) 0.74434(4) 0.47039(2) 0.02551(15) Uani 1 1 d . . . . .
Ag0E Ag 0.65010(2) 0.70367(4) 0.69517(2) 0.02518(15) Uani 1 1 d . . . . .
Ag0F Ag 0.62206(2) 0.64310(4) 0.64051(2) 0.02734(16) Uani 1 1 d . . . . .
Ag0G Ag 0.63744(2) 0.89553(4) 0.65524(2) 0.02766(16) Uani 1 1 d . . . . .
Ag0H Ag 0.58905(2) 0.79659(4) 0.63335(2) 0.02766(16) Uani 1 1 d . . . . .
Ag0I Ag 0.24908(3) 0.87267(4) 0.48154(2) 0.03057(17) Uani 1 1 d . . . . .
Ag0J Ag 0.25096(2) 0.61448(4) 0.51848(2) 0.03045(17) Uani 1 1 d . . . . .
Ag0K Ag 0.29904(2) 0.74633(4) 0.47093(2) 0.02915(15) Uani 1 1 d . . . . .
Ag0L Ag 0.250000 1.00600(6) 0.500000 0.0417(3) Uani 1 2 d S T P . .
Ag0M Ag 0.59170(3) 0.68544(5) 0.60852(2) 0.0433(2) Uani 1 1 d . . . . .
Cu0N Cu 0.56774(5) 0.99116(7) 0.67375(2) 0.0273(3) Uani 1 1 d . . . . .
Cu0O Cu 0.67993(5) 0.54608(8) 0.69119(2) 0.0293(3) Uani 1 1 d . . . . .
Cu0P Cu 0.24698(5) 0.65693(9) 0.44636(2) 0.0341(4) Uani 1 1 d . . . . .
P00Q P 0.46344(8) 0.64795(13) 0.64516(3) 0.0251(5) Uani 1 1 d . . . . .
P00R P 0.77811(9) 0.84878(14) 0.68568(3) 0.0288(6) Uani 1 1 d . . . . .
S00S S 0.67491(9) 0.60961(14) 0.71496(3) 0.0337(6) Uani 1 1 d . . . . .
P00T P 0.49545(8) 0.72952(14) 0.70797(3) 0.0248(5) Uani 1 1 d . . . . .
S00U S 0.60557(10) 0.98469(14) 0.69847(4) 0.0402(7) Uani 1 1 d . . . . .
P00V P 0.39834(9) 0.89169(14) 0.49899(3) 0.0300(6) Uani 1 1 d . . . . .
S00W S 0.49067(10) 0.95553(15) 0.66491(4) 0.0389(7) Uani 1 1 d . . . . .
S00X S 0.62347(10) 0.48178(14) 0.67642(4) 0.0394(7) Uani 1 1 d . . . . .
P00Y P 0.40055(9) 0.59437(15) 0.50106(3) 0.0304(6) Uani 1 1 d . . . . .
P00Z P 0.73988(9) 0.78643(15) 0.62212(3) 0.0324(6) Uani 1 1 d . . . . .
S010 S 0.60534(10) 1.01762(15) 0.64934(4) 0.0417(7) Uani 1 1 d . . . . .
S011 S 0.75036(9) 0.55930(15) 0.67719(4) 0.0410(7) Uani 1 1 d . . . . .
S012 S 0.57975(9) 0.57032(16) 0.61863(4) 0.0409(7) Uani 1 1 d . . . . .
S013 S 0.25961(10) 0.54327(17) 0.45640(4) 0.0432(7) Uani 1 1 d . . . . .
S014 S 0.16772(10) 0.69876(16) 0.44372(3) 0.0393(6) Uani 1 1 d . . . . .
S015 S 0.28413(11) 0.99513(17) 0.47512(4) 0.0503(8) Uani 1 1 d . . . . .
S016 S 0.29494(10) 0.75736(18) 0.44137(3) 0.0456(7) Uani 1 1 d . . . . .
S017 S 0.60803(11) 0.80686(18) 0.60407(4) 0.0470(7) Uani 1 1 d . . . . .
O01E O 0.7975(2) 0.8269(4) 0.65118(8) 0.0363(18) Uani 1 1 d . . . . .
O01F O 0.4402(2) 0.7431(4) 0.50130(9) 0.0414(19) Uani 1 1 d . . . . .
O01I O 0.4412(2) 0.6753(4) 0.67924(9) 0.0397(19) Uani 1 1 d . . . . .
C01J C 0.3885(3) 0.9853(3) 0.50516(9) 0.037(2) Uani 1 1 d G U . . .
C02E C 0.4015(3) 1.0440(4) 0.49562(7) 0.049(3) Uani 1 1 d G U . . .
H02E H 0.414636 1.035982 0.485549 0.059 Uiso 1 1 calc R U . . .
C05M C 0.3948(3) 1.1146(3) 0.50113(9) 0.059(3) Uani 1 1 d G U . . .
H5 H 0.403461 1.153841 0.494746 0.071 Uiso 1 1 calc R U . . .
C05G C 0.3751(3) 1.1265(3) 0.51619(10) 0.056(3) Uani 1 1 d G U . . .
H6 H 0.370629 1.173753 0.519873 0.068 Uiso 1 1 calc R U . . .
C039 C 0.3621(2) 1.0678(4) 0.52573(7) 0.052(3) Uani 1 1 d G U . . .
H039 H 0.348970 1.075806 0.535802 0.062 Uiso 1 1 calc R U . . .
C01W C 0.3688(2) 0.9972(3) 0.52022(8) 0.046(2) Uani 1 1 d G U . . .
H01W H 0.360144 0.957945 0.526605 0.055 Uiso 1 1 calc R U . . .
C01K C 0.7338(4) 0.9422(6) 0.70629(14) 0.040(2) Uani 1 1 d . U . . .
H01K H 0.710358 0.942227 0.698120 0.048 Uiso 1 1 calc R U . . .
C01L C 0.7734(4) 0.8998(6) 0.70468(13) 0.034(2) Uani 1 1 d . U . . .
C01N C 0.4533(4) 0.5546(6) 0.65206(13) 0.033(2) Uani 1 1 d . U . . .
C01O C 0.4545(3) 0.6509(6) 0.70736(13) 0.033(2) Uani 1 1 d . U . . .
C01P C 0.4927(4) 0.5117(6) 0.65469(14) 0.041(2) Uani 1 1 d . U . . .
H01P H 0.523024 0.529965 0.652988 0.049 Uiso 1 1 calc R U . . .
C01U C 0.3830(3) 0.7405(6) 0.64238(13) 0.034(2) Uani 1 1 d . U . . .
H01U H 0.387343 0.738361 0.631254 0.041 Uiso 1 1 calc R U . . .
C01V C 0.4784(4) 1.0034(6) 0.64630(14) 0.038(2) Uani 1 1 d . U . . .
C01X C 0.7609(4) 0.4918(6) 0.66208(15) 0.038(2) Uani 1 1 d . U . . .
C01Y C 0.4128(3) 0.7021(5) 0.65253(13) 0.028(2) Uani 1 1 d . U . . .
C01Z C 0.7593(4) 0.4163(6) 0.66689(16) 0.044(2) Uani 1 1 d . U . . .
C020 C 0.4514(3) 0.6469(6) 0.62320(13) 0.034(2) Uani 1 1 d . U . . .
C022 C 0.7460(4) 0.8801(6) 0.61628(13) 0.036(2) Uani 1 1 d . U . . .
C023 C 0.3647(4) 0.4932(6) 0.47883(14) 0.040(2) Uani 1 1 d . U . . .
H023 H 0.352369 0.533906 0.473514 0.048 Uiso 1 1 calc R U . . .
C024 C 0.4278(4) 0.6390(6) 0.69321(13) 0.034(2) Uani 1 1 d . U . . .
C025 C 0.8095(3) 0.9133(5) 0.67270(13) 0.030(2) Uani 1 1 d . U . . .
C026 C 0.4543(4) 0.8078(6) 0.70914(13) 0.037(2) Uani 1 1 d . U . . .
C027 C 0.4672(4) 0.9667(6) 0.63184(15) 0.042(2) Uani 1 1 d . U . . .
C028 C 0.5548(4) 0.4441(7) 0.69880(15) 0.046(2) Uani 1 1 d . U . . .
C029 C 0.8474(4) 0.6590(6) 0.69533(13) 0.040(2) Uani 1 1 d . U . . .
H029 H 0.838887 0.610992 0.697297 0.048 Uiso 1 1 calc R U . . .
C02A C 0.4235(4) 0.8960(6) 0.47888(13) 0.033(2) Uani 1 1 d . U . . .
C02B C 0.3910(4) 0.5017(6) 0.49338(14) 0.035(2) Uani 1 1 d . U . . .
C02D C 0.6492(4) 1.0859(7) 0.64756(15) 0.045(2) Uani 1 1 d . U . . .
C02F C 0.4447(4) 0.6110(6) 0.72083(14) 0.041(2) Uani 1 1 d . U . . .
H02F H 0.462232 0.618941 0.730400 0.050 Uiso 1 1 calc R U . . .
C02H C 0.4898(4) 0.9148(6) 0.46171(14) 0.042(2) Uani 1 1 d . U . . .
H02H H 0.521982 0.924393 0.460520 0.051 Uiso 1 1 calc R U . . .
C02I C 0.7105(4) 0.9304(7) 0.61884(15) 0.047(3) Uani 1 1 d . U . . .
H02I H 0.682094 0.914849 0.623256 0.056 Uiso 1 1 calc R U . . .
C02J C 0.8123(4) 0.7092(6) 0.69182(13) 0.034(2) Uani 1 1 d . U . . .
H02J H 0.780572 0.695039 0.690928 0.040 Uiso 1 1 calc R U . . .
C02K C 0.3947(4) 0.8863(6) 0.46528(14) 0.043(2) Uani 1 1 d . U . . .
H02K H 0.362249 0.878431 0.466326 0.051 Uiso 1 1 calc R U . . .
C02L C 0.4642(3) 0.7077(6) 0.61424(13) 0.035(2) Uani 1 1 d . U . . .
H02L H 0.480465 0.745680 0.619352 0.042 Uiso 1 1 calc R U . . .
C02O C 0.4073(3) 0.7089(6) 0.66918(14) 0.033(2) Uani 1 1 d . U . . .
C02P C 0.4714(4) 0.9114(6) 0.47686(14) 0.039(2) Uani 1 1 d . U . . .
H02P H 0.491100 0.919518 0.485908 0.046 Uiso 1 1 calc R U . . .
C02Q C 0.5229(3) 0.7247(6) 0.72854(12) 0.032(2) Uani 1 1 d . U . . .
C02S C 0.39665(16) 0.5696(4) 0.53406(9) 0.039(2) Uani 1 1 d G U . . .
H02S H 0.363952 0.566736 0.532075 0.046 Uiso 1 1 calc R U . . .
C044 C 0.4152(2) 0.5608(4) 0.54973(7) 0.045(2) Uani 1 1 d G U . . .
H044 H 0.394858 0.552083 0.558238 0.054 Uiso 1 1 calc R U . . .
C02M C 0.4640(2) 0.5650(4) 0.55269(6) 0.045(2) Uani 1 1 d G U . . .
H02M H 0.476429 0.559152 0.563181 0.054 Uiso 1 1 calc R U . . .
C02R C 0.49440(17) 0.5780(4) 0.53998(8) 0.039(2) Uani 1 1 d G U . . .
H02R H 0.527095 0.580874 0.541960 0.047 Uiso 1 1 calc R U . . .
C021 C 0.4759(2) 0.5868(4) 0.52430(7) 0.035(2) Uani 1 1 d G U . . .
H021 H 0.496190 0.595527 0.515796 0.043 Uiso 1 1 calc R U . . .
C01T C 0.4270(2) 0.5826(4) 0.52134(6) 0.033(2) Uani 1 1 d G U . . .
C02T C 0.8730(4) 0.6945(7) 0.62093(16) 0.050(3) Uani 1 1 d . U . . .
H02T H 0.890517 0.665596 0.613999 0.060 Uiso 1 1 calc R U . . .
C02U C 0.3708(3) 0.7498(6) 0.67561(14) 0.039(2) Uani 1 1 d . U . . .
H02U H 0.365780 0.751384 0.686707 0.047 Uiso 1 1 calc R U . . .
C02V C 0.8252(3) 0.7814(6) 0.68965(13) 0.033(2) Uani 1 1 d . U . . .
C02W C 0.7870(4) 0.9055(7) 0.60924(15) 0.047(3) Uani 1 1 d . U . . .
H02W H 0.811318 0.872697 0.607267 0.056 Uiso 1 1 calc R U . . .
C02X C 0.4865(4) 0.4404(7) 0.65996(15) 0.051(3) Uani 1 1 d . U . . .
H02X H 0.512805 0.410356 0.661740 0.061 Uiso 1 1 calc R U . . .
C02Y C 0.4082(4) 0.5290(6) 0.65417(14) 0.041(2) Uani 1 1 d . U . . .
H02Y H 0.381952 0.558774 0.652129 0.049 Uiso 1 1 calc R U . . .
C02Z C 0.8178(3) 0.8925(5) 0.65647(14) 0.032(2) Uani 1 1 d . U . . .
C030 C 0.7328(4) 0.6334(6) 0.72332(13) 0.035(2) Uani 1 1 d . U . . .
C031 C 0.7250(3) 0.7348(4) 0.60394(8) 0.045(2) Uani 1 1 d G U . . .
C036 C 0.7138(3) 0.6619(4) 0.60613(7) 0.046(2) Uani 1 1 d G U . . .
H036 H 0.712446 0.642740 0.616545 0.055 Uiso 1 1 calc R U . . .
C052 C 0.7047(3) 0.6175(3) 0.59275(10) 0.054(3) Uani 1 1 d G U . . .
H052 H 0.697206 0.568744 0.594220 0.065 Uiso 1 1 calc R U . . .
C05H C 0.7068(3) 0.6461(5) 0.57719(8) 0.065(3) Uani 1 1 d G U . . .
H05H H 0.700672 0.616450 0.568239 0.077 Uiso 1 1 calc R U . . .
C070 C 0.7180(3) 0.7190(5) 0.57500(7) 0.072(3) Uani 1 1 d G U . . .
H070 H 0.719379 0.738153 0.564582 0.087 Uiso 1 1 calc R U . . .
C05Y C 0.7271(3) 0.7634(3) 0.58837(10) 0.063(3) Uani 1 1 d G U . . .
H05Y H 0.734620 0.812150 0.586907 0.075 Uiso 1 1 calc R U . . .
C032 C 0.4607(4) 0.9039(6) 0.44819(15) 0.046(3) Uani 1 1 d . U . . .
H032 H 0.473047 0.907303 0.437866 0.055 Uiso 1 1 calc R U . . .
C033 C 0.3570(4) 0.4262(7) 0.47244(16) 0.048(3) Uani 1 1 d . U . . .
H033 H 0.339316 0.421635 0.462787 0.058 Uiso 1 1 calc R U . . .
C034 C 0.4688(4) 0.8722(6) 0.70311(14) 0.042(2) Uani 1 1 d . U . . .
H034 H 0.498285 0.876146 0.698322 0.051 Uiso 1 1 calc R U . . .
C035 C 0.8938(4) 0.6776(6) 0.69598(14) 0.043(2) Uani 1 1 d . U . . .
H035 H 0.917109 0.642737 0.698122 0.052 Uiso 1 1 calc R U . . .
C037 C 0.6170(4) 0.5067(6) 0.60806(14) 0.036(2) Uani 1 1 d . U . . .
C038 C 0.5677(4) 0.9881(6) 0.71574(15) 0.044(2) Uani 1 1 d . U . . .
C03A C 0.3465(4) 0.7828(6) 0.64831(15) 0.042(2) Uani 1 1 d . U . . .
H03A H 0.325442 0.806814 0.641252 0.051 Uiso 1 1 calc R U . . .
C03B C 0.2133(3) 0.4770(4) 0.45296(10) 0.047(3) Uani 1 1 d G U . . .
C04C C 0.1972(3) 0.4341(5) 0.46557(8) 0.058(3) Uani 1 1 d G U . . .
C06H C 0.1634(3) 0.3803(5) 0.46246(10) 0.070(3) Uani 1 1 d G U . . .
H06U H 0.152656 0.351585 0.470900 0.084 Uiso 1 1 calc R U . . .
C06S C 0.1457(3) 0.3694(4) 0.44676(12) 0.075(3) Uani 1 1 d G U . . .
H06V H 0.123090 0.333343 0.444680 0.090 Uiso 1 1 calc R U . . .
C072 C 0.1618(3) 0.4122(5) 0.43415(9) 0.068(3) Uani 1 1 d G U . . .
H072 H 0.149916 0.404928 0.423639 0.082 Uiso 1 1 calc R U . . .
C06Q C 0.1956(3) 0.4661(4) 0.43725(9) 0.055(3) Uani 1 1 d G U . . .
C03C C 0.4748(3) 0.9111(6) 0.52149(13) 0.034(2) Uani 1 1 d . U . . .
H03I H 0.465786 0.959742 0.521952 0.041 Uiso 1 1 calc R U . . .
C03D C 0.4750(4) 1.0780(7) 0.64662(16) 0.046(2) Uani 1 1 d . U . . .
C03E C 0.6343(4) 1.1518(6) 0.63943(15) 0.046(2) Uani 1 1 d . U . . .
C03F C 0.8264(4) 0.7149(6) 0.61639(15) 0.044(2) Uani 1 1 d . U . . .
H03F H 0.812720 0.698658 0.606664 0.052 Uiso 1 1 calc R U . . .
C03G C 0.5140(4) 0.8871(6) 0.53062(14) 0.042(2) Uani 1 1 d . U . . .
H03J H 0.529883 0.919376 0.537572 0.050 Uiso 1 1 calc R U . . .
C03H C 0.4008(4) 0.3732(6) 0.49531(15) 0.045(2) Uani 1 1 d . U . . .
H03N H 0.411824 0.333040 0.501147 0.055 Uiso 1 1 calc R U . . .
C03I C 0.7086(4) 0.7664(6) 0.72526(13) 0.039(3) Uani 1 1 d . U . . .
H03B H 0.704660 0.777561 0.713931 0.058 Uiso 1 1 calc R U . . .
H03C H 0.720232 0.808563 0.730967 0.058 Uiso 1 1 calc R U . . .
H03D H 0.678546 0.752049 0.729500 0.058 Uiso 1 1 calc R U . . .
C03J C 0.4490(3) 0.8635(6) 0.51174(13) 0.032(2) Uani 1 1 d . U . . .
C03K C 0.5063(4) 0.7612(6) 0.74146(13) 0.040(2) Uani 1 1 d . U . . .
H03K H 0.479202 0.790119 0.740275 0.048 Uiso 1 1 calc R U . . .
C03L C 0.4281(4) 0.5904(7) 0.61547(15) 0.046(3) Uani 1 1 d . U . . .
H03L H 0.420498 0.548660 0.621216 0.055 Uiso 1 1 calc R U . . .
C03M C 0.3919(4) 0.5877(6) 0.69272(15) 0.045(2) Uani 1 1 d . U . . .
H03M H 0.373765 0.580388 0.683258 0.054 Uiso 1 1 calc R U . . .
C03N C 0.6964(5) 1.0782(8) 0.65226(18) 0.059(3) Uani 1 1 d . U . . .
C03O C 0.1592(4) 0.7691(6) 0.42897(14) 0.039(2) Uani 1 1 d . U . . .
C03P C 0.7714(4) 0.3667(7) 0.65518(16) 0.051(3) Uani 1 1 d . U . . .
H03P H 0.772207 0.317698 0.658002 0.062 Uiso 1 1 calc R U . . .
C03Q C 0.8933(4) 0.7166(6) 0.63549(16) 0.047(3) Uani 1 1 d . U . . .
H03Q H 0.923650 0.700901 0.638564 0.057 Uiso 1 1 calc R U . . .
C03R C 0.8277(3) 0.9771(6) 0.67793(14) 0.037(2) Uani 1 1 d . U . . .
H03R H 0.822702 0.990940 0.688595 0.044 Uiso 1 1 calc R U . . .
C03S C 0.5718(4) 0.9379(6) 0.72771(15) 0.044(2) Uani 1 1 d . U . . .
C03T C 0.6531(4) 0.4675(6) 0.63516(14) 0.047(3) Uani 1 1 d . U . . .
H03E H 0.670921 0.426668 0.639324 0.071 Uiso 1 1 calc R U . . .
H03G H 0.622044 0.467714 0.639710 0.071 Uiso 1 1 calc R U . . .
H03H H 0.669467 0.511712 0.638035 0.071 Uiso 1 1 calc R U . . .
C03U C 0.4414(4) 0.4146(7) 0.66249(15) 0.052(3) Uani 1 1 d . U . . .
H03U H 0.437197 0.367534 0.666320 0.062 Uiso 1 1 calc R U . . .
C03V C 0.5695(4) 0.7128(6) 0.75815(14) 0.044(2) Uani 1 1 d . U . . .
H03V H 0.584788 0.709194 0.768267 0.053 Uiso 1 1 calc R U . . .
C03W C 0.5292(4) 0.8189(7) 0.52957(15) 0.045(2) Uani 1 1 d . U . . .
H03W H 0.556564 0.804152 0.535286 0.054 Uiso 1 1 calc R U . . .
C03X C 0.8007(3) 0.7602(6) 0.62669(14) 0.038(2) Uani 1 1 d . U . . .
C03Y C 0.5860(4) 0.4216(6) 0.68646(14) 0.040(2) Uani 1 1 d . U . . .
C03Z C 0.8087(4) 0.8981(7) 0.71698(15) 0.044(2) Uani 1 1 d . U . . .
H03Z H 0.835387 0.868563 0.716159 0.053 Uiso 1 1 calc R U . . .
C040 C 0.5262(4) 0.3945(7) 0.70626(17) 0.055(3) Uani 1 1 d . U . . .
H040 H 0.505768 0.409290 0.714293 0.067 Uiso 1 1 calc R U . . .
C041 C 0.4543(4) 1.0064(7) 0.61844(16) 0.048(3) Uani 1 1 d . U . . .
H041 H 0.446673 0.981643 0.608885 0.058 Uiso 1 1 calc R U . . .
C042 C 0.3753(4) 0.3630(7) 0.48022(16) 0.052(3) Uani 1 1 d . U . . .
H042 H 0.371063 0.317059 0.475712 0.063 Uiso 1 1 calc R U . . .
C045 C 0.3420(4) 0.7883(6) 0.66457(15) 0.042(2) Uani 1 1 d . U . . .
H045 H 0.318761 0.819113 0.668534 0.051 Uiso 1 1 calc R U . . .
C046 C 0.4089(4) 0.4417(6) 0.50116(15) 0.041(2) Uani 1 1 d . U . . .
H046 H 0.427096 0.447654 0.510660 0.049 Uiso 1 1 calc R U . . .
C047 C 0.4656(3) 0.7919(6) 0.51094(13) 0.035(2) Uani 1 1 d . U . . .
C048 C 0.2161(5) 0.4396(7) 0.48276(16) 0.065(4) Uani 1 1 d . U . . .
H04I H 0.248641 0.423718 0.483287 0.097 Uiso 1 1 calc R U . . .
H04J H 0.197382 0.409299 0.489632 0.097 Uiso 1 1 calc R U . . .
H04K H 0.214222 0.489121 0.486352 0.097 Uiso 1 1 calc R U . . .
C049 C 0.7750(4) 0.5108(7) 0.64665(16) 0.048(3) Uani 1 1 d . U . . .
C04A C 0.4387(4) 0.9333(7) 0.70416(15) 0.055(3) Uani 1 1 d . U . . .
H04A H 0.447330 0.977537 0.699623 0.066 Uiso 1 1 calc R U . . .
C04B C 0.7572(5) 1.0268(8) 0.60845(16) 0.060(3) Uani 1 1 d . U . . .
H04B H 0.761298 1.075956 0.606235 0.073 Uiso 1 1 calc R U . . .
C04D C 0.8024(4) 0.9412(7) 0.73022(15) 0.049(3) Uani 1 1 d . U . . .
H04D H 0.825776 0.940934 0.738432 0.059 Uiso 1 1 calc R U . . .
C04E C 0.7435(4) 0.7056(6) 0.72739(13) 0.035(2) Uani 1 1 d . U . . .
C04F C 0.1106(4) 0.8400(8) 0.44930(14) 0.059(4) Uani 1 1 d . U . . .
H04N H 0.136349 0.840104 0.457208 0.088 Uiso 1 1 calc R U . . .
H04Q H 0.088972 0.801241 0.451665 0.088 Uiso 1 1 calc R U . . .
H04T H 0.094115 0.885635 0.449642 0.088 Uiso 1 1 calc R U . . .
C04G C 0.5293(4) 0.7557(7) 0.75634(14) 0.046(2) Uani 1 1 d . U . . .
H04G H 0.517845 0.780895 0.765194 0.055 Uiso 1 1 calc R U . . .
C04H C 0.8602(4) 1.0032(6) 0.65274(15) 0.042(2) Uani 1 1 d . U . . .
H04H H 0.876712 1.034286 0.645997 0.050 Uiso 1 1 calc R U . . .
C04I C 0.3506(2) 0.7481(5) 0.43194(9) 0.048(2) Uani 1 1 d G U . . .
C053 C 0.3878(3) 0.7067(4) 0.43846(8) 0.049(3) Uani 1 1 d G U . . .
C05R C 0.4313(2) 0.7046(5) 0.43080(10) 0.057(3) Uani 1 1 d G U . . .
H7 H 0.456216 0.676951 0.435161 0.068 Uiso 1 1 calc R U . . .
C06U C 0.4375(2) 0.7439(5) 0.41661(10) 0.069(3) Uani 1 1 d G U . . .
H06W H 0.466583 0.742532 0.411486 0.083 Uiso 1 1 calc R U . . .
C06W C 0.4003(3) 0.7853(5) 0.41009(8) 0.067(3) Uani 1 1 d G U . . .
H06X H 0.404426 0.811600 0.400602 0.080 Uiso 1 1 calc R U . . .
C06A C 0.3568(3) 0.7874(4) 0.41776(10) 0.061(3) Uani 1 1 d G U . . .
C04J C 0.6485(4) 0.4619(6) 0.61714(15) 0.043(2) Uani 1 1 d . U . . .
C04L C 0.4022(4) 0.4586(7) 0.65937(15) 0.049(3) Uani 1 1 d . U . . .
H04L H 0.371666 0.440462 0.660784 0.059 Uiso 1 1 calc R U . . .
C04M C 0.8691(4) 0.7611(6) 0.64529(15) 0.043(2) Uani 1 1 d . U . . .
H04M H 0.883404 0.777054 0.654943 0.052 Uiso 1 1 calc R U . . .
C04N C 0.5045(3) 0.7707(6) 0.52006(14) 0.041(2) Uani 1 1 d . U . . .
H04W H 0.514261 0.722370 0.519766 0.049 Uiso 1 1 calc R U . . .
C04O C 0.4115(4) 0.8012(7) 0.71619(14) 0.045(2) Uani 1 1 d . U . . .
H04O H 0.401335 0.756372 0.719995 0.054 Uiso 1 1 calc R U . . .
C04P C 0.9061(4) 0.7488(7) 0.69344(15) 0.046(2) Uani 1 1 d . U . . .
H04P H 0.937998 0.762108 0.694180 0.055 Uiso 1 1 calc R U . . .
C04Q C 0.4634(2) 0.7006(3) 0.49077(7) 0.035(2) Uani 1 1 d G U . . .
C02N C 0.4497(2) 0.6284(3) 0.48889(8) 0.034(2) Uani 1 1 d G U . . .
C02C C 0.4717(2) 0.5848(3) 0.47752(8) 0.037(2) Uani 1 1 d G U . . .
H02C H 0.462541 0.536455 0.476258 0.045 Uiso 1 1 calc R U . . .
C04K C 0.5073(2) 0.6135(4) 0.46803(7) 0.044(2) Uani 1 1 d G U . . .
H04 H 0.521958 0.584305 0.460423 0.053 Uiso 1 1 calc R U . . .
C02G C 0.5209(2) 0.6857(4) 0.46991(8) 0.043(2) Uani 1 1 d G U . . .
H02G H 0.544747 0.704881 0.463563 0.052 Uiso 1 1 calc R U . . .
C043 C 0.4990(2) 0.7293(3) 0.48128(9) 0.040(2) Uani 1 1 d G U . . .
H043 H 0.508119 0.777606 0.482538 0.047 Uiso 1 1 calc R U . . .
C04R C 0.5870(4) 0.6760(6) 0.74537(14) 0.041(2) Uani 1 1 d . U . . .
H04R H 0.614252 0.647664 0.746615 0.050 Uiso 1 1 calc R U . . .
C04S C 0.3977(5) 0.9266(8) 0.71175(16) 0.057(3) Uani 1 1 d . U . . .
H04S H 0.378646 0.967494 0.713043 0.068 Uiso 1 1 calc R U . . .
C04T C 0.7537(4) 0.4989(7) 0.72351(14) 0.051(3) Uani 1 1 d . U . . .
H04C H 0.723692 0.487528 0.728239 0.077 Uiso 1 1 calc R U . . .
H04E H 0.778107 0.468552 0.728263 0.077 Uiso 1 1 calc R U . . .
H04F H 0.751531 0.490420 0.712031 0.077 Uiso 1 1 calc R U . . .
C04U C 0.8430(4) 0.9379(6) 0.64661(15) 0.044(2) Uani 1 1 d . U . . .
H04U H 0.848424 0.924953 0.635922 0.052 Uiso 1 1 calc R U . . .
C04V C 0.4620(4) 1.1165(7) 0.63260(16) 0.056(3) Uani 1 1 d . U . . .
H04V H 0.460197 1.166908 0.633090 0.067 Uiso 1 1 calc R U . . .
C04W C 0.1762(4) 0.7618(7) 0.41336(14) 0.045(2) Uani 1 1 d . U . . .
C04X C 0.5632(4) 0.6812(6) 0.73024(13) 0.037(2) Uani 1 1 d . U . . .
H04X H 0.574416 0.655624 0.721385 0.045 Uiso 1 1 calc R U . . .
C04Y C 0.4521(4) 1.0828(7) 0.61833(17) 0.054(3) Uani 1 1 d . U . . .
H04Y H 0.444137 1.108778 0.608965 0.064 Uiso 1 1 calc R U . . .
C04Z C 0.3831(4) 0.8621(8) 0.71762(16) 0.057(3) Uani 1 1 d . U . . .
H04Z H 0.353909 0.858590 0.722631 0.068 Uiso 1 1 calc R U . . .
C050 C 0.7282(4) 0.9851(7) 0.71983(15) 0.050(3) Uani 1 1 d . U . . .
H050 H 0.701022 1.013587 0.720762 0.060 Uiso 1 1 calc R U . . .
C051 C 0.5767(5) 0.9649(8) 0.60929(18) 0.072(4) Uani 1 1 d . U . . .
H05A H 0.570124 0.939058 0.619101 0.108 Uiso 1 1 calc R U . . .
H05B H 0.564004 1.013211 0.609897 0.108 Uiso 1 1 calc R U . . .
H05C H 0.610539 0.967296 0.607967 0.108 Uiso 1 1 calc R U . . .
C054 C 0.6707(4) 0.4063(7) 0.59230(16) 0.050(3) Uani 1 1 d . U . . .
H054 H 0.688654 0.371289 0.587095 0.060 Uiso 1 1 calc R U . . .
C055 C 0.5085(5) 1.0522(8) 0.73103(17) 0.064(3) Uani 1 1 d . U . . .
H055 H 0.486853 1.090222 0.731932 0.077 Uiso 1 1 calc R U . . .
C056 C 0.6042(4) 0.8745(6) 0.72740(14) 0.050(3) Uani 1 1 d . U . . .
H05D H 0.596954 0.845595 0.717946 0.075 Uiso 1 1 calc R U . . .
H05E H 0.600031 0.845576 0.736952 0.075 Uiso 1 1 calc R U . . .
H05F H 0.636544 0.891035 0.727085 0.075 Uiso 1 1 calc R U . . .
C057 C 0.8230(4) 0.7834(6) 0.64121(14) 0.040(2) Uani 1 1 d . U . . .
C058 C 0.6118(4) 0.5004(7) 0.59133(15) 0.045(2) Uani 1 1 d . U . . .
C059 C 0.4531(4) 0.7123(7) 0.59801(14) 0.043(2) Uani 1 1 d . U . . .
H059 H 0.462322 0.752793 0.592097 0.052 Uiso 1 1 calc R U . . .
C05A C 0.4282(4) 0.6567(7) 0.59051(15) 0.050(3) Uani 1 1 d . U . . .
H05G H 0.419698 0.660714 0.579571 0.060 Uiso 1 1 calc R U . . .
C05B C 0.4673(4) 0.8875(7) 0.63021(16) 0.053(3) Uani 1 1 d . U . . .
H05I H 0.499139 0.869543 0.631840 0.080 Uiso 1 1 calc R U . . .
H05J H 0.455691 0.874377 0.619554 0.080 Uiso 1 1 calc R U . . .
H05K H 0.447048 0.866608 0.638172 0.080 Uiso 1 1 calc R U . . .
C05C C 0.7931(5) 0.9765(7) 0.60509(16) 0.058(3) Uani 1 1 d . U . . .
H05L H 0.820795 0.991399 0.600095 0.069 Uiso 1 1 calc R U . . .
C05D C 0.4158(4) 0.5958(7) 0.59886(15) 0.052(3) Uani 1 1 d . U . . .
H05M H 0.399374 0.558227 0.593629 0.062 Uiso 1 1 calc R U . . .
C05E C 0.5283(4) 0.3196(7) 0.70151(16) 0.057(3) Uani 1 1 d . U . . .
H05N H 0.509870 0.285121 0.706678 0.068 Uiso 1 1 calc R U . . .
C05F C 0.2502(3) 1.0496(5) 0.46099(11) 0.062(3) Uani 1 1 d G U . . .
C078 C 0.2293(3) 1.0171(4) 0.44736(12) 0.070(3) Uani 1 1 d G U . . .
C07H C 0.2042(3) 1.0591(6) 0.43604(10) 0.076(3) Uani 1 1 d G U . . .
H07H H 0.190131 1.037348 0.426925 0.092 Uiso 1 1 calc R U . . .
C07E C 0.2000(3) 1.1337(5) 0.43834(11) 0.081(3) Uani 1 1 d G U . . .
H07G H 0.183239 1.161870 0.430762 0.097 Uiso 1 1 calc R U . . .
C077 C 0.2210(3) 1.1663(4) 0.45196(13) 0.082(3) Uani 1 1 d G U . . .
H077 H 0.218240 1.216193 0.453500 0.098 Uiso 1 1 calc R U . . .
C06T C 0.2461(3) 1.1242(5) 0.46329(10) 0.073(3) Uani 1 1 d G U . . .
C05I C 0.6396(4) 0.4492(7) 0.58323(16) 0.050(3) Uani 1 1 d . U . . .
H05O H 0.637110 0.444219 0.572020 0.060 Uiso 1 1 calc R U . . .
C05J C 0.5509(5) 0.5195(7) 0.70402(16) 0.061(4) Uani 1 1 d . U . . .
H05P H 0.580290 0.534262 0.709272 0.092 Uiso 1 1 calc R U . . .
H05Q H 0.525447 0.523891 0.711480 0.092 Uiso 1 1 calc R U . . .
H05R H 0.544554 0.549900 0.694763 0.092 Uiso 1 1 calc R U . . .
C05K C 0.8535(4) 1.0227(6) 0.66826(15) 0.041(2) Uani 1 1 d . U . . .
H05S H 0.865979 1.066042 0.672346 0.049 Uiso 1 1 calc R U . . .
C05L C 0.5584(4) 0.2985(8) 0.68903(16) 0.057(3) Uani 1 1 d . U . . .
H05T H 0.558602 0.250316 0.685596 0.068 Uiso 1 1 calc R U . . .
C05N C 0.4142(4) 0.8883(7) 0.45008(16) 0.055(3) Uani 1 1 d . U . . .
H8 H 0.394957 0.878682 0.440982 0.065 Uiso 1 1 calc R U . . .
C05O C 0.7826(4) 0.3855(7) 0.63935(16) 0.052(3) Uani 1 1 d . U . . .
H05U H 0.788512 0.350118 0.631608 0.062 Uiso 1 1 calc R U . . .
C05P C 0.7499(4) 0.3948(7) 0.68302(15) 0.052(3) Uani 1 1 d . U . . .
H05V H 0.775259 0.411033 0.690156 0.079 Uiso 1 1 calc R U . . .
H05W H 0.747572 0.342731 0.683530 0.079 Uiso 1 1 calc R U . . .
H05X H 0.720406 0.415994 0.686285 0.079 Uiso 1 1 calc R U . . .
C05Q C 0.8725(4) 0.8006(7) 0.68984(14) 0.043(2) Uani 1 1 d . U . . .
H05Z H 0.881500 0.848130 0.687552 0.052 Uiso 1 1 calc R U . . .
C05S C 0.4093(4) 0.5593(6) 0.72043(15) 0.046(2) Uani 1 1 d . U . . .
H05 H 0.403036 0.532232 0.729664 0.055 Uiso 1 1 calc R U . . .
C05T C 0.5442(4) 0.9435(7) 0.74173(16) 0.053(3) Uani 1 1 d . U . . .
H1 H 0.546997 0.908675 0.749879 0.064 Uiso 1 1 calc R U . . .
C05U C 0.7655(4) 0.5766(6) 0.72662(14) 0.039(2) Uani 1 1 d . U . . .
C05V C 0.5839(4) 1.1668(7) 0.63486(16) 0.058(3) Uani 1 1 d . U . . .
H2 H 0.571290 1.127161 0.628491 0.087 Uiso 1 1 calc R U . . .
H H 0.581931 1.210864 0.628632 0.087 Uiso 1 1 calc R U . . .
HA H 0.565725 1.172073 0.644485 0.087 Uiso 1 1 calc R U . . .
C05W C 0.7150(5) 1.1930(8) 0.63920(17) 0.063(3) Uani 1 1 d . U . . .
H3 H 0.737790 1.225545 0.635648 0.076 Uiso 1 1 calc R U . . .
C05Z C 0.7845(4) 0.4566(7) 0.63568(16) 0.053(3) Uani 1 1 d . U . . .
H4 H 0.792658 0.469899 0.625235 0.064 Uiso 1 1 calc R U . . .
C060 C 0.6755(4) 0.4139(7) 0.60859(16) 0.049(3) Uani 1 1 d . U . . .
H060 H 0.697999 0.385626 0.614179 0.059 Uiso 1 1 calc R U . . .
C061 C 0.5374(5) 1.0457(7) 0.71707(17) 0.058(3) Uani 1 1 d . U . . .
C062 C 0.1205(4) 0.8790(7) 0.42070(16) 0.055(3) Uani 1 1 d . U . . .
H062 H 0.102504 0.919790 0.423131 0.066 Uiso 1 1 calc R U . . .
C063 C 0.5544(5) 0.9263(7) 0.59529(17) 0.055(3) Uani 1 1 d . U . . .
C064 C 0.3833(4) 0.5478(7) 0.70638(15) 0.048(3) Uani 1 1 d . U . . .
H064 H 0.359558 0.512558 0.706100 0.057 Uiso 1 1 calc R U . . .
C065 C 0.7629(4) 0.9856(7) 0.73200(15) 0.052(3) Uani 1 1 d . U . . .
H065 H 0.759837 1.014721 0.741133 0.062 Uiso 1 1 calc R U . . .
C066 C 0.1300(4) 0.8290(7) 0.43280(16) 0.050(3) Uani 1 1 d . U . . .
C067 C 0.5290(6) 1.1061(8) 0.70432(18) 0.082(5) Uani 1 1 d . U . . .
H06A H 0.509438 1.143564 0.708789 0.123 Uiso 1 1 calc R U . . .
H06B H 0.513195 1.085908 0.694879 0.123 Uiso 1 1 calc R U . . .
H06C H 0.558982 1.126442 0.701354 0.123 Uiso 1 1 calc R U . . .
C068 C 0.7885(4) 0.7204(7) 0.73383(14) 0.045(2) Uani 1 1 d . U . . .
H068 H 0.796393 0.767740 0.736814 0.054 Uiso 1 1 calc R U . . .
C069 C 0.1635(4) 0.8148(7) 0.40189(16) 0.053(3) Uani 1 1 d . U . . .
H069 H 0.174433 0.810406 0.391395 0.064 Uiso 1 1 calc R U . . .
C06B C 0.7157(5) 1.0022(7) 0.61510(16) 0.058(3) Uani 1 1 d . U . . .
H06D H 0.691160 1.034701 0.617043 0.070 Uiso 1 1 calc R U . . .
C06C C 0.5793(5) 0.5462(8) 0.58085(16) 0.067(4) Uani 1 1 d . U . . .
H06E H 0.591115 0.595155 0.580614 0.100 Uiso 1 1 calc R U . . .
H06F H 0.547959 0.545836 0.585174 0.100 Uiso 1 1 calc R U . . .
H06G H 0.578145 0.526768 0.570037 0.100 Uiso 1 1 calc R U . . .
C06D C 0.6680(4) 1.2049(7) 0.63583(16) 0.056(3) Uani 1 1 d . U . . .
H06H H 0.658219 1.248606 0.631120 0.067 Uiso 1 1 calc R U . . .
C06E C 0.3833(5) 0.6609(8) 0.45328(16) 0.067(4) Uani 1 1 d . U . . .
H06Z H 0.386608 0.690913 0.462762 0.100 Uiso 1 1 calc R U . . .
HB H 0.407816 0.624410 0.453502 0.100 Uiso 1 1 calc R U . . .
HC H 0.352672 0.637754 0.453103 0.100 Uiso 1 1 calc R U . . .
C06F C 0.5075(4) 0.8540(8) 0.56920(17) 0.059(3) Uani 1 1 d . U . . .
H06I H 0.491447 0.830653 0.560681 0.071 Uiso 1 1 calc R U . . .
C06G C 0.8217(4) 0.6657(7) 0.73589(15) 0.051(3) Uani 1 1 d . U . . .
H06J H 0.852534 0.677151 0.739363 0.061 Uiso 1 1 calc R U . . .
C06I C 0.2108(5) 0.5118(8) 0.42353(17) 0.071(4) Uani 1 1 d . U . . .
H06 H 0.203583 0.561808 0.425718 0.106 Uiso 1 1 calc R U . . .
HD H 0.194115 0.496764 0.413772 0.106 Uiso 1 1 calc R U . . .
HE H 0.244421 0.506352 0.422197 0.106 Uiso 1 1 calc R U . . .
C06J C 0.2037(4) 0.6968(8) 0.40819(16) 0.062(4) Uani 1 1 d . U . . .
H9 H 0.182419 0.656502 0.406515 0.093 Uiso 1 1 calc R U . . .
HF H 0.227070 0.684568 0.416467 0.093 Uiso 1 1 calc R U . . .
HG H 0.219437 0.707407 0.398270 0.093 Uiso 1 1 calc R U . . .
C06K C 0.7797(4) 0.5889(7) 0.64167(18) 0.065(4) Uani 1 1 d . U . . .
H06K H 0.748891 0.611668 0.641626 0.097 Uiso 1 1 calc R U . . .
H06L H 0.792380 0.591376 0.630996 0.097 Uiso 1 1 calc R U . . .
H06M H 0.800669 0.613698 0.649197 0.097 Uiso 1 1 calc R U . . .
C06L C 0.5414(4) 0.8156(7) 0.57881(16) 0.052(3) Uani 1 1 d . U . . .
C06N C 0.4837(5) 1.1214(7) 0.66206(16) 0.061(4) Uani 1 1 d . U . . .
H06N H 0.517244 1.122322 0.664662 0.091 Uiso 1 1 calc R U . . .
H06O H 0.467132 1.099020 0.670780 0.091 Uiso 1 1 calc R U . . .
H06P H 0.472359 1.170164 0.660504 0.091 Uiso 1 1 calc R U . . .
C06O C 0.4982(4) 0.9263(8) 0.57247(16) 0.056(3) Uani 1 1 d . U . . .
H06Q H 0.476021 0.951332 0.566042 0.068 Uiso 1 1 calc R U . . .
C06P C 0.5634(4) 0.8500(7) 0.59235(16) 0.052(3) Uani 1 1 d . U . . .
C06R C 0.1363(4) 0.8714(7) 0.40549(17) 0.057(3) Uani 1 1 d . U . . .
H10 H 0.128089 0.905474 0.397570 0.069 Uiso 1 1 calc R U . . .
C06V C 0.7141(5) 1.0122(8) 0.66091(19) 0.078(4) Uani 1 1 d . U . . .
H06R H 0.696711 1.005717 0.670673 0.117 Uiso 1 1 calc R U . . .
H06S H 0.747349 1.017775 0.663595 0.117 Uiso 1 1 calc R U . . .
H06T H 0.709587 0.970412 0.654054 0.117 Uiso 1 1 calc R U . . .
C06X C 0.2353(5) 0.9361(8) 0.44393(16) 0.063(4) Uani 1 1 d . U . . .
H11 H 0.268603 0.924149 0.444134 0.095 Uiso 1 1 calc R U . . .
HH H 0.221626 0.924874 0.433432 0.095 Uiso 1 1 calc R U . . .
HI H 0.219544 0.908325 0.452045 0.095 Uiso 1 1 calc R U . . .
C06Y C 0.8100(4) 0.5959(7) 0.73292(14) 0.045(2) Uani 1 1 d . U . . .
H06Y H 0.832333 0.559654 0.735155 0.054 Uiso 1 1 calc R U . . .
C071 C 0.5216(4) 0.9622(8) 0.58522(16) 0.060(3) Uani 1 1 d . U . . .
H071 H 0.515185 1.011102 0.587044 0.072 Uiso 1 1 calc R U . . .
C073 C 0.6165(5) 0.3212(7) 0.66840(15) 0.058(3) Uani 1 1 d . U . . .
H07A H 0.611457 0.269893 0.667050 0.087 Uiso 1 1 calc R U . . .
H07B H 0.649591 0.330169 0.670892 0.087 Uiso 1 1 calc R U . . .
H07C H 0.607423 0.346012 0.658559 0.087 Uiso 1 1 calc R U . . .
C074 C 0.7290(5) 1.1299(8) 0.64825(18) 0.064(3) Uani 1 1 d . U . . .
H074 H 0.760741 1.123957 0.651454 0.076 Uiso 1 1 calc R U . . .
C075 C 0.3187(5) 0.8329(8) 0.40988(16) 0.076(4) Uani 1 1 d . U . . .
H07I H 0.294357 0.801839 0.405285 0.114 Uiso 1 1 calc R U . . .
H07J H 0.332111 0.861804 0.401459 0.114 Uiso 1 1 calc R U . . .
H07K H 0.305038 0.864196 0.417825 0.114 Uiso 1 1 calc R U . . .
C076 C 0.5135(5) 1.0000(8) 0.74321(18) 0.065(3) Uani 1 1 d . U . . .
H076 H 0.495593 1.003985 0.752493 0.078 Uiso 1 1 calc R U . . .
C07A C 0.5517(5) 0.7377(7) 0.57402(16) 0.060(3) Uani 1 1 d . U . . .
H07D H 0.540016 0.705324 0.582149 0.091 Uiso 1 1 calc R U . . .
H07E H 0.585395 0.731141 0.573104 0.091 Uiso 1 1 calc R U . . .
H07F H 0.536070 0.727191 0.563791 0.091 Uiso 1 1 calc R U . . .
C07C C 0.5873(4) 0.3483(7) 0.68189(16) 0.050(3) Uani 1 1 d . U . . .
C13 C 0.2690(6) 1.1627(9) 0.47757(19) 0.096(5) Uani 1 1 d . U . . .
H13A H 0.252520 1.150362 0.487240 0.144 Uiso 1 1 calc R U . . .
H13B H 0.267375 1.214345 0.475875 0.144 Uiso 1 1 calc R U . . .
H13C H 0.301725 1.148094 0.478723 0.144 Uiso 1 1 calc R U . . .


_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
Au01 Au03 2.6977(5) . ?
Au01 Au04 2.7279(5) . ?
Au01 Au05 2.7363(5) . ?
Au01 Au08 2.6945(6) . ?
Au01 Ag09 2.8193(7) . ?
Au01 Ag0A 2.8226(7) . ?
Au01 Ag0B 2.8115(8) . ?
Au01 Ag0C 2.7761(8) . ?
Au01 Ag0E 2.7746(8) . ?
Au01 Ag0F 2.8319(8) . ?
Au01 Ag0G 2.8099(8) . ?
Au01 Ag0H 2.8291(8) . ?
Au02 Au06 2.6925(5) 2_556 ?
Au02 Au06 2.6925(5) . ?
Au02 Au07 2.7048(5) 2_556 ?
Au02 Au07 2.7047(5) . ?
Au02 Ag0D 2.8429(6) 2_556 ?
Au02 Ag0D 2.8429(6) . ?
Au02 Ag0I 2.8433(9) 2_556 ?
Au02 Ag0I 2.8431(9) . ?
Au02 Ag0J 2.7971(9) 2_556 ?
Au02 Ag0J 2.7972(9) . ?
Au02 Ag0K 2.7982(7) . ?
Au02 Ag0K 2.7981(7) 2_556 ?
Au03 Au04 2.9180(6) . ?
Au03 Ag0A 2.8422(8) . ?
Au03 Ag0B 2.8938(8) . ?
Au03 Ag0F 2.8899(8) . ?
Au03 Ag0H 2.9084(8) . ?
Au03 P00Q 2.305(2) . ?
Au04 Ag0A 2.9978(8) . ?
Au04 Ag0B 2.9469(8) . ?
Au04 Ag0C 2.8878(8) . ?
Au04 Ag0E 2.8794(8) . ?
Au04 P00T 2.333(3) . ?
Au05 Au08 2.8875(6) . ?
Au05 Ag09 2.9845(8) . ?
Au05 Ag0C 2.9035(8) . ?
Au05 Ag0E 2.9158(8) . ?
Au05 Ag0G 3.0035(8) . ?
Au05 P00R 2.332(2) . ?
Au06 Au07 2.8930(6) . ?
Au06 Ag0D 2.8809(8) 2_556 ?
Au06 Ag0I 2.9190(8) . ?
Au06 Ag0I 2.8797(9) 2_556 ?
Au06 Ag0K 2.9303(8) . ?
Au06 P00V 2.308(3) . ?
Au07 Ag0D 2.9820(8) 2_556 ?
Au07 Ag0J 2.8738(8) 2_556 ?
Au07 Ag0J 2.9007(9) . ?
Au07 Ag0K 2.9615(8) . ?
Au07 P00Y 2.320(3) . ?
Au08 Ag09 2.8683(8) . ?
Au08 Ag0F 2.9124(8) . ?
Au08 Ag0G 2.9542(8) . ?
Au08 Ag0H 2.8841(8) . ?
Au08 P00Z 2.306(3) . ?
Ag09 Ag0B 2.9324(10) . ?
Ag09 Ag0E 2.9243(10) . ?
Ag09 Ag0F 2.8836(10) . ?
Ag09 Cu0O 2.8864(17) . ?
Ag09 S011 2.466(3) . ?
Ag0A Ag0C 2.9840(10) . ?
Ag0A Ag0G 2.8874(10) . ?
Ag0A Ag0H 2.8852(10) . ?
Ag0A Cu0N 2.8864(16) . ?
Ag0A S00W 2.446(3) . ?
Ag0B Ag0E 2.9040(10) . ?
Ag0B Ag0F 2.8821(11) . ?
Ag0B Cu0O 2.9438(15) . ?
Ag0B S00X 2.440(3) . ?
Ag0C Ag0E 3.0700(10) . ?
Ag0C Ag0G 2.8988(11) . ?
Ag0C Cu0N 3.0044(15) . ?
Ag0C S00U 2.470(3) . ?
Ag0D Ag0I 2.9284(10) . ?
Ag0D Ag0J 2.9502(10) 2_556 ?
Ag0D Ag0K 2.8981(9) . ?
Ag0D Cu0P 2.9539(17) . ?
Ag0D S014 2.464(3) . ?
Ag0E Cu0O 3.0363(16) . ?
Ag0E S00S 2.465(3) . ?
Ag0F Ag0H 3.0238(10) . ?
Ag0F Ag0M 2.8591(11) . ?
Ag0F S012 2.519(3) . ?
Ag0G Ag0H 2.8783(10) . ?
Ag0G Cu0N 3.0687(16) . ?
Ag0G S010 2.463(3) . ?
Ag0H Ag0M 2.8956(11) . ?
Ag0H S017 2.494(3) . ?
Ag0I Ag0I 3.0443(15) 2_556 ?
Ag0I Ag0K 2.8629(11) . ?
Ag0I Ag0L 2.8855(13) . ?
Ag0I S015 2.519(3) . ?
Ag0J Ag0J 3.0480(16) 2_556 ?
Ag0J Ag0K 2.9456(11) 2_556 ?
Ag0J Cu0P 3.0018(17) 2_556 ?
Ag0J S013 2.476(3) 2_556 ?
Ag0K Cu0P 2.9640(16) . ?
Ag0K S016 2.446(3) . ?
Ag0L S015 2.297(3) 2_556 ?
Ag0L S015 2.297(3) . ?
Ag0M S012 2.303(3) . ?
Ag0M S017 2.310(3) . ?
Cu0N S00U 2.276(3) . ?
Cu0N S00W 2.358(3) . ?
Cu0N S010 2.350(3) . ?
Cu0O S00S 2.289(3) . ?
Cu0O S00X 2.301(3) . ?
Cu0O S011 2.330(3) . ?
Cu0P S013 2.272(4) . ?
Cu0P S014 2.360(3) . ?
Cu0P S016 2.329(4) . ?
P00Q C01N 1.833(10) . ?
P00Q C01Y 1.853(10) . ?
P00Q C020 1.834(11) . ?
P00R C01L 1.834(11) . ?
P00R C025 1.838(10) . ?
P00R C02V 1.835(10) . ?
S00S C030 1.804(10) . ?
P00T C01O 1.846(10) . ?
P00T C026 1.850(10) . ?
P00T C02Q 1.847(10) . ?
S00U C038 1.802(12) . ?
P00V C01J 1.818(6) . ?
P00V C02A 1.822(11) . ?
P00V C03J 1.823(10) . ?
S00W C01V 1.794(11) . ?
S00X C03Y 1.751(12) . ?
P00Y C02B 1.834(11) . ?
P00Y C01T 1.825(5) . ?
P00Y C02N 1.839(6) . ?
P00Z C022 1.798(11) . ?
P00Z C031 1.814(6) . ?
P00Z C03X 1.804(11) . ?
S010 C02D 1.768(12) . ?
S011 C01X 1.789(11) . ?
S012 C037 1.809(11) . ?
S013 C03B 1.800(6) . ?
S014 C03O 1.788(11) . ?
S015 C05F 1.792(7) . ?
S016 C04I 1.773(6) . ?
S017 C06P 1.752(12) . ?
O01E C02Z 1.399(12) . ?
O01E C057 1.363(13) . ?
O01F C047 1.384(12) . ?
O01F C04Q 1.349(8) . ?
O01I C024 1.392(12) . ?
O01I C02O 1.391(12) . ?
C01J C02E 1.3900 . ?
C01J C01W 1.3900 . ?
C02E H02E 0.9300 . ?
C02E C05M 1.3900 . ?
C05M H5 0.9300 . ?
C05M C05G 1.3900 . ?
C05G H6 0.9300 . ?
C05G C039 1.3900 . ?
C039 H039 0.9300 . ?
C039 C01W 1.3900 . ?
C01W H01W 0.9300 . ?
C01K H01K 0.9300 . ?
C01K C01L 1.367(14) . ?
C01K C050 1.380(15) . ?
C01L C03Z 1.399(14) . ?
C01N C01P 1.371(14) . ?
C01N C02Y 1.367(14) . ?
C01O C024 1.388(14) . ?
C01O C02F 1.365(15) . ?
C01P H01P 0.9300 . ?
C01P C02X 1.395(16) . ?
C01U H01U 0.9300 . ?
C01U C01Y 1.364(13) . ?
C01U C03A 1.387(14) . ?
C01V C027 1.399(16) . ?
C01V C03D 1.376(16) . ?
C01X C01Z 1.444(16) . ?
C01X C049 1.388(17) . ?
C01Y C02O 1.392(14) . ?
C01Z C03P 1.378(16) . ?
C01Z C05P 1.420(16) . ?
C020 C02L 1.393(15) . ?
C020 C03L 1.374(15) . ?
C022 C02I 1.380(15) . ?
C022 C02W 1.384(15) . ?
C023 H023 0.9300 . ?
C023 C02B 1.402(14) . ?
C023 C033 1.354(15) . ?
C024 C03M 1.381(15) . ?
C025 C02Z 1.419(14) . ?
C025 C03R 1.346(14) . ?
C026 C034 1.350(16) . ?
C026 C04O 1.356(14) . ?
C027 C041 1.366(16) . ?
C027 C05B 1.461(16) . ?
C028 C03Y 1.421(16) . ?
C028 C040 1.371(17) . ?
C028 C05J 1.456(17) . ?
C029 H029 0.9300 . ?
C029 C02J 1.375(14) . ?
C029 C035 1.347(14) . ?
C02A C02K 1.377(14) . ?
C02A C02P 1.387(14) . ?
C02B C046 1.365(15) . ?
C02D C03E 1.442(16) . ?
C02D C03N 1.379(16) . ?
C02F H02F 0.9300 . ?
C02F C05S 1.377(15) . ?
C02H H02H 0.9300 . ?
C02H C02P 1.366(15) . ?
C02H C032 1.378(15) . ?
C02I H02I 0.9300 . ?
C02I C06B 1.365(17) . ?
C02J H02J 0.9300 . ?
C02J C02V 1.389(14) . ?
C02K H02K 0.9300 . ?
C02K C05N 1.382(16) . ?
C02L H02L 0.9300 . ?
C02L C059 1.368(14) . ?
C02O C02U 1.387(14) . ?
C02P H02P 0.9300 . ?
C02Q C03K 1.354(14) . ?
C02Q C04X 1.391(14) . ?
C02S H02S 0.9300 . ?
C02S C044 1.3900 . ?
C02S C01T 1.3900 . ?
C044 H044 0.9300 . ?
C044 C02M 1.3900 . ?
C02M H02M 0.9300 . ?
C02M C02R 1.3900 . ?
C02R H02R 0.9300 . ?
C02R C021 1.3900 . ?
C021 H021 0.9300 . ?
C021 C01T 1.3900 . ?
C02T H02T 0.9300 . ?
C02T C03F 1.404(14) . ?
C02T C03Q 1.376(16) . ?
C02U H02U 0.9300 . ?
C02U C045 1.395(15) . ?
C02V C05Q 1.375(14) . ?
C02W H02W 0.9300 . ?
C02W C05C 1.361(17) . ?
C02X H02X 0.9300 . ?
C02X C03U 1.374(16) . ?
C02Y H02Y 0.9300 . ?
C02Y C04L 1.375(16) . ?
C02Z C04U 1.375(15) . ?
C030 C04E 1.400(15) . ?
C030 C05U 1.412(14) . ?
C031 C036 1.3900 . ?
C031 C05Y 1.3900 . ?
C036 H036 0.9300 . ?
C036 C052 1.3900 . ?
C052 H052 0.9300 . ?
C052 C05H 1.3900 . ?
C05H H05H 0.9300 . ?
C05H C070 1.3900 . ?
C070 H070 0.9300 . ?
C070 C05Y 1.3900 . ?
C05Y H05Y 0.9300 . ?
C032 H032 0.9300 . ?
C032 C05N 1.351(15) . ?
C033 H033 0.9300 . ?
C033 C042 1.418(16) . ?
C034 H034 0.9300 . ?
C034 C04A 1.411(16) . ?
C035 H035 0.9300 . ?
C035 C04P 1.370(16) . ?
C037 C04J 1.409(15) . ?
C037 C058 1.389(15) . ?
C038 C03S 1.355(16) . ?
C038 C061 1.365(16) . ?
C03A H03A 0.9300 . ?
C03A C045 1.354(15) . ?
C03B C04C 1.3900 . ?
C03B C06Q 1.3900 . ?
C04C C06H 1.3900 . ?
C04C C048 1.504(13) . ?
C06H H06U 0.9300 . ?
C06H C06S 1.3900 . ?
C06S H06V 0.9300 . ?
C06S C072 1.3900 . ?
C072 H072 0.9300 . ?
C072 C06Q 1.3900 . ?
C06Q C06I 1.482(16) . ?
C03C H03I 0.9300 . ?
C03C C03G 1.390(14) . ?
C03C C03J 1.380(14) . ?
C03D C04V 1.395(16) . ?
C03D C06N 1.517(16) . ?
C03E C05V 1.481(15) . ?
C03E C06D 1.398(16) . ?
C03F H03F 0.9300 . ?
C03F C03X 1.403(15) . ?
C03G H03J 0.9300 . ?
C03G C03W 1.330(16) . ?
C03H H03N 0.9300 . ?
C03H C042 1.431(16) . ?
C03H C046 1.367(16) . ?
C03I H03B 0.9600 . ?
C03I H03C 0.9600 . ?
C03I H03D 0.9600 . ?
C03I C04E 1.494(14) . ?
C03J C047 1.397(15) . ?
C03K H03K 0.9300 . ?
C03K C04G 1.376(14) . ?
C03L H03L 0.9300 . ?
C03L C05D 1.408(15) . ?
C03M H03M 0.9300 . ?
C03M C064 1.372(16) . ?
C03N C06V 1.486(18) . ?
C03N C074 1.366(18) . ?
C03O C04W 1.393(16) . ?
C03O C066 1.412(16) . ?
C03P H03P 0.9300 . ?
C03P C05O 1.395(17) . ?
C03Q H03Q 0.9300 . ?
C03Q C04M 1.346(15) . ?
C03R H03R 0.9300 . ?
C03R C05K 1.377(15) . ?
C03S C056 1.479(15) . ?
C03S C05T 1.413(17) . ?
C03T H03E 0.9600 . ?
C03T H03G 0.9600 . ?
C03T H03H 0.9600 . ?
C03T C04J 1.492(15) . ?
C03U H03U 0.9300 . ?
C03U C04L 1.386(16) . ?
C03V H03V 0.9300 . ?
C03V C04G 1.382(16) . ?
C03V C04R 1.356(15) . ?
C03W H03W 0.9300 . ?
C03W C04N 1.362(15) . ?
C03X C057 1.403(15) . ?
C03Y C07C 1.401(17) . ?
C03Z H03Z 0.9300 . ?
C03Z C04D 1.365(16) . ?
C040 H040 0.9300 . ?
C040 C05E 1.434(18) . ?
C041 H041 0.9300 . ?
C041 C04Y 1.407(17) . ?
C042 H042 0.9300 . ?
C045 H045 0.9300 . ?
C046 H046 0.9300 . ?
C047 C04N 1.368(14) . ?
C048 H04I 0.9600 . ?
C048 H04J 0.9600 . ?
C048 H04K 0.9600 . ?
C049 C05Z 1.377(17) . ?
C049 C06K 1.500(17) . ?
C04A H04A 0.9300 . ?
C04A C04S 1.331(17) . ?
C04B H04B 0.9300 . ?
C04B C05C 1.403(18) . ?
C04B C06B 1.377(16) . ?
C04D H04D 0.9300 . ?
C04D C065 1.390(16) . ?
C04E C068 1.383(14) . ?
C04F H04N 0.9600 . ?
C04F H04Q 0.9600 . ?
C04F H04T 0.9600 . ?
C04F C066 1.493(16) . ?
C04G H04G 0.9300 . ?
C04H H04H 0.9300 . ?
C04H C04U 1.384(15) . ?
C04H C05K 1.348(15) . ?
C04I C053 1.3900 . ?
C04I C06A 1.3900 . ?
C053 C05R 1.3900 . ?
C053 C06E 1.493(14) . ?
C05R H7 0.9300 . ?
C05R C06U 1.3900 . ?
C06U H06W 0.9300 . ?
C06U C06W 1.3900 . ?
C06W H06X 0.9300 . ?
C06W C06A 1.3900 . ?
C06A C075 1.494(14) . ?
C04J C060 1.372(16) . ?
C04L H04L 0.9300 . ?
C04M H04M 0.9300 . ?
C04M C057 1.391(14) . ?
C04N H04W 0.9300 . ?
C04O H04O 0.9300 . ?
C04O C04Z 1.380(16) . ?
C04P H04P 0.9300 . ?
C04P C05Q 1.369(15) . ?
C04Q C02N 1.3900 . ?
C04Q C043 1.3900 . ?
C02N C02C 1.3900 . ?
C02C H02C 0.9300 . ?
C02C C04K 1.3900 . ?
C04K H04 0.9300 . ?
C04K C02G 1.3900 . ?
C02G H02G 0.9300 . ?
C02G C043 1.3900 . ?
C043 H043 0.9300 . ?
C04R H04R 0.9300 . ?
C04R C04X 1.402(14) . ?
C04S H04S 0.9300 . ?
C04S C04Z 1.350(18) . ?
C04T H04C 0.9600 . ?
C04T H04E 0.9600 . ?
C04T H04F 0.9600 . ?
C04T C05U 1.488(16) . ?
C04U H04U 0.9300 . ?
C04V H04V 0.9300 . ?
C04V C04Y 1.352(17) . ?
C04W C069 1.398(16) . ?
C04W C06J 1.493(17) . ?
C04X H04X 0.9300 . ?
C04Y H04Y 0.9300 . ?
C04Z H04Z 0.9300 . ?
C050 H050 0.9300 . ?
C050 C065 1.380(15) . ?
C051 H05A 0.9600 . ?
C051 H05B 0.9600 . ?
C051 H05C 0.9600 . ?
C051 C063 1.480(17) . ?
C054 H054 0.9300 . ?
C054 C05I 1.382(16) . ?
C054 C060 1.354(16) . ?
C055 H055 0.9300 . ?
C055 C061 1.432(18) . ?
C055 C076 1.394(19) . ?
C056 H05D 0.9600 . ?
C056 H05E 0.9600 . ?
C056 H05F 0.9600 . ?
C058 C05I 1.403(15) . ?
C058 C06C 1.498(16) . ?
C059 H059 0.9300 . ?
C059 C05A 1.376(16) . ?
C05A H05G 0.9300 . ?
C05A C05D 1.365(17) . ?
C05B H05I 0.9600 . ?
C05B H05J 0.9600 . ?
C05B H05K 0.9600 . ?
C05C H05L 0.9300 . ?
C05D H05M 0.9300 . ?
C05E H05N 0.9300 . ?
C05E C05L 1.402(17) . ?
C05F C078 1.3900 . ?
C05F C06T 1.3900 . ?
C078 C07H 1.3900 . ?
C078 C06X 1.526(15) . ?
C07H H07H 0.9300 . ?
C07H C07E 1.3900 . ?
C07E H07G 0.9300 . ?
C07E C077 1.3900 . ?
C077 H077 0.9300 . ?
C077 C06T 1.3900 . ?
C06T C13 1.504(16) . ?
C05I H05O 0.9300 . ?
C05J H05P 0.9600 . ?
C05J H05Q 0.9600 . ?
C05J H05R 0.9600 . ?
C05K H05S 0.9300 . ?
C05L H05T 0.9300 . ?
C05L C07C 1.368(17) . ?
C05N H8 0.9300 . ?
C05O H05U 0.9300 . ?
C05O C05Z 1.344(17) . ?
C05P H05V 0.9600 . ?
C05P H05W 0.9600 . ?
C05P H05X 0.9600 . ?
C05Q H05Z 0.9300 . ?
C05S H05 0.9300 . ?
C05S C064 1.369(15) . ?
C05T H1 0.9300 . ?
C05T C076 1.358(17) . ?
C05U C06Y 1.387(14) . ?
C05V H2 0.9600 . ?
C05V H 0.9600 . ?
C05V HA 0.9600 . ?
C05W H3 0.9300 . ?
C05W C06D 1.360(16) . ?
C05W C074 1.429(18) . ?
C05Z H4 0.9300 . ?
C060 H060 0.9300 . ?
C061 C067 1.544(17) . ?
C062 H062 0.9300 . ?
C062 C066 1.378(17) . ?
C062 C06R 1.348(17) . ?
C063 C06P 1.447(18) . ?
C063 C071 1.390(16) . ?
C064 H064 0.9300 . ?
C065 H065 0.9300 . ?
C067 H06A 0.9600 . ?
C067 H06B 0.9600 . ?
C067 H06C 0.9600 . ?
C068 H068 0.9300 . ?
C068 C06G 1.379(16) . ?
C069 H069 0.9300 . ?
C069 C06R 1.329(18) . ?
C06B H06D 0.9300 . ?
C06C H06E 0.9600 . ?
C06C H06F 0.9600 . ?
C06C H06G 0.9600 . ?
C06D H06H 0.9300 . ?
C06E H06Z 0.9600 . ?
C06E HB 0.9600 . ?
C06E HC 0.9600 . ?
C06F H06I 0.9300 . ?
C06F C06L 1.411(16) . ?
C06F C06O 1.383(18) . ?
C06G H06J 0.9300 . ?
C06G C06Y 1.345(17) . ?
C06I H06 0.9600 . ?
C06I HD 0.9600 . ?
C06I HE 0.9600 . ?
C06J H9 0.9600 . ?
C06J HF 0.9600 . ?
C06J HG 0.9600 . ?
C06K H06K 0.9600 . ?
C06K H06L 0.9600 . ?
C06K H06M 0.9600 . ?
C06L C06P 1.411(17) . ?
C06L C07A 1.515(17) . ?
C06N H06N 0.9600 . ?
C06N H06O 0.9600 . ?
C06N H06P 0.9600 . ?
C06O H06Q 0.9300 . ?
C06O C071 1.391(17) . ?
C06R H10 0.9300 . ?
C06V H06R 0.9600 . ?
C06V H06S 0.9600 . ?
C06V H06T 0.9600 . ?
C06X H11 0.9600 . ?
C06X HH 0.9600 . ?
C06X HI 0.9600 . ?
C06Y H06Y 0.9300 . ?
C071 H071 0.9300 . ?
C073 H07A 0.9600 . ?
C073 H07B 0.9600 . ?
C073 H07C 0.9600 . ?
C073 C07C 1.487(16) . ?
C074 H074 0.9300 . ?
C075 H07I 0.9600 . ?
C075 H07J 0.9600 . ?
C075 H07K 0.9600 . ?
C076 H076 0.9300 . ?
C07A H07D 0.9600 . ?
C07A H07E 0.9600 . ?
C07A H07F 0.9600 . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 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
Au03 Au01 Au04 65.068(15) . . ?
Au03 Au01 Au05 179.63(2) . . ?
Au03 Au01 Ag09 115.27(2) . . ?
Au03 Au01 Ag0A 61.927(18) . . ?
Au03 Au01 Ag0B 63.333(18) . . ?
Au03 Au01 Ag0C 116.39(2) . . ?
Au03 Au01 Ag0E 116.47(2) . . ?
Au03 Au01 Ag0F 62.962(18) . . ?
Au03 Au01 Ag0G 114.08(2) . . ?
Au03 Au01 Ag0H 63.450(19) . . ?
Au04 Au01 Au05 115.127(18) . . ?
Au04 Au01 Ag09 116.50(2) . . ?
Au04 Au01 Ag0A 65.355(18) . . ?
Au04 Au01 Ag0B 64.260(19) . . ?
Au04 Au01 Ag0C 63.286(19) . . ?
Au04 Au01 Ag0E 63.099(19) . . ?
Au04 Au01 Ag0F 116.54(2) . . ?
Au04 Au01 Ag0G 115.62(2) . . ?
Au04 Au01 Ag0H 118.03(2) . . ?
Au05 Au01 Ag09 64.966(18) . . ?
Au05 Au01 Ag0A 117.82(2) . . ?
Au05 Au01 Ag0B 117.03(2) . . ?
Au05 Au01 Ag0C 63.563(18) . . ?
Au05 Au01 Ag0E 63.883(19) . . ?
Au05 Au01 Ag0F 117.08(2) . . ?
Au05 Au01 Ag0G 65.561(19) . . ?
Au05 Au01 Ag0H 116.21(2) . . ?
Au08 Au01 Au03 115.575(19) . . ?
Au08 Au01 Au04 179.05(2) . . ?
Au08 Au01 Au05 64.235(15) . . ?
Au08 Au01 Ag09 62.644(19) . . ?
Au08 Au01 Ag0A 115.52(2) . . ?
Au08 Au01 Ag0B 115.29(2) . . ?
Au08 Au01 Ag0C 116.64(2) . . ?
Au08 Au01 Ag0E 115.96(2) . . ?
Au08 Au01 Ag0F 63.549(19) . . ?
Au08 Au01 Ag0G 64.88(2) . . ?
Au08 Au01 Ag0H 62.897(19) . . ?
Ag09 Au01 Ag0A 176.07(3) . . ?
Ag09 Au01 Ag0F 61.36(2) . . ?
Ag09 Au01 Ag0H 115.12(2) . . ?
Ag0A Au01 Ag0F 114.76(2) . . ?
Ag0A Au01 Ag0H 61.39(2) . . ?
Ag0B Au01 Ag09 62.77(2) . . ?
Ag0B Au01 Ag0A 116.53(2) . . ?
Ag0B Au01 Ag0F 61.42(2) . . ?
Ag0B Au01 Ag0H 116.15(2) . . ?
Ag0C Au01 Ag09 119.47(2) . . ?
Ag0C Au01 Ag0A 64.41(2) . . ?
Ag0C Au01 Ag0B 118.89(2) . . ?
Ag0C Au01 Ag0F 179.17(3) . . ?
Ag0C Au01 Ag0G 62.52(2) . . ?
Ag0C Au01 Ag0H 114.72(3) . . ?
Ag0E Au01 Ag09 63.03(2) . . ?
Ag0E Au01 Ag0A 120.43(2) . . ?
Ag0E Au01 Ag0B 62.64(2) . . ?
Ag0E Au01 Ag0C 67.16(2) . . ?
Ag0E Au01 Ag0F 113.55(3) . . ?
Ag0E Au01 Ag0G 119.86(3) . . ?
Ag0E Au01 Ag0H 178.04(3) . . ?
Ag0G Au01 Ag09 118.87(2) . . ?
Ag0G Au01 Ag0A 61.68(2) . . ?
Ag0G Au01 Ag0B 177.33(3) . . ?
Ag0G Au01 Ag0F 117.14(3) . . ?
Ag0G Au01 Ag0H 61.38(2) . . ?
Ag0H Au01 Ag0F 64.57(2) . . ?
Au06 Au02 Au06 115.23(3) 2_556 . ?
Au06 Au02 Au07 178.628(14) . 2_556 ?
Au06 Au02 Au07 178.630(14) 2_556 . ?
Au06 Au02 Au07 64.825(13) 2_556 2_556 ?
Au06 Au02 Au07 64.826(13) . . ?
Au06 Au02 Ag0D 62.655(17) . 2_556 ?
Au06 Au02 Ag0D 116.33(2) 2_556 2_556 ?
Au06 Au02 Ag0D 62.651(17) 2_556 . ?
Au06 Au02 Ag0D 116.33(2) . . ?
Au06 Au02 Ag0I 63.59(2) 2_556 2_556 ?
Au06 Au02 Ag0I 62.62(2) 2_556 . ?
Au06 Au02 Ag0I 63.58(2) . . ?
Au06 Au02 Ag0I 62.62(2) . 2_556 ?
Au06 Au02 Ag0J 116.184(18) 2_556 2_556 ?
Au06 Au02 Ag0J 116.184(18) . . ?
Au06 Au02 Ag0J 117.197(19) 2_556 . ?
Au06 Au02 Ag0J 117.193(19) . 2_556 ?
Au06 Au02 Ag0K 64.475(18) . . ?
Au06 Au02 Ag0K 64.477(18) 2_556 2_556 ?
Au06 Au02 Ag0K 113.62(2) 2_556 . ?
Au06 Au02 Ag0K 113.63(2) . 2_556 ?
Au07 Au02 Au07 115.16(3) . 2_556 ?
Au07 Au02 Ag0D 64.981(17) 2_556 . ?
Au07 Au02 Ag0D 64.975(17) . 2_556 ?
Au07 Au02 Ag0D 116.032(19) . . ?
Au07 Au02 Ag0D 116.026(19) 2_556 2_556 ?
Au07 Au02 Ag0I 117.265(18) . 2_556 ?
Au07 Au02 Ag0I 116.584(19) 2_556 2_556 ?
Au07 Au02 Ag0I 116.588(19) . . ?
Au07 Au02 Ag0I 117.271(18) 2_556 . ?
Au07 Au02 Ag0J 63.62(2) 2_556 2_556 ?
Au07 Au02 Ag0J 63.61(2) . . ?
Au07 Au02 Ag0J 62.95(2) 2_556 . ?
Au07 Au02 Ag0J 62.95(2) . 2_556 ?
Au07 Au02 Ag0K 65.091(18) . . ?
Au07 Au02 Ag0K 116.83(2) . 2_556 ?
Au07 Au02 Ag0K 65.084(18) 2_556 2_556 ?
Au07 Au02 Ag0K 116.83(2) 2_556 . ?
Ag0D Au02 Ag0D 178.31(4) 2_556 . ?
Ag0D Au02 Ag0I 116.39(3) 2_556 . ?
Ag0D Au02 Ag0I 61.99(2) 2_556 2_556 ?
Ag0D Au02 Ag0I 116.40(3) . 2_556 ?
Ag0D Au02 Ag0I 62.00(2) . . ?
Ag0I Au02 Ag0I 64.74(3) . 2_556 ?
Ag0J Au02 Ag0D 118.54(3) . . ?
Ag0J Au02 Ag0D 118.53(3) 2_556 2_556 ?
Ag0J Au02 Ag0D 63.07(2) . 2_556 ?
Ag0J Au02 Ag0D 63.07(2) 2_556 . ?
Ag0J Au02 Ag0I 114.62(2) 2_556 . ?
Ag0J Au02 Ag0I 179.36(3) 2_556 2_556 ?
Ag0J Au02 Ag0I 114.62(2) . 2_556 ?
Ag0J Au02 Ag0I 179.35(3) . . ?
Ag0J Au02 Ag0J 66.03(4) 2_556 . ?
Ag0J Au02 Ag0K 119.53(3) . . ?
Ag0J Au02 Ag0K 119.53(3) 2_556 2_556 ?
Ag0J Au02 Ag0K 63.53(2) 2_556 . ?
Ag0J Au02 Ag0K 63.53(2) . 2_556 ?
Ag0K Au02 Ag0D 118.125(19) . 2_556 ?
Ag0K Au02 Ag0D 118.122(19) 2_556 . ?
Ag0K Au02 Ag0D 61.824(19) 2_556 2_556 ?
Ag0K Au02 Ag0D 61.822(19) . . ?
Ag0K Au02 Ag0I 115.95(3) . 2_556 ?
Ag0K Au02 Ag0I 115.95(3) 2_556 . ?
Ag0K Au02 Ag0I 60.99(2) . . ?
Ag0K Au02 Ag0I 60.99(2) 2_556 2_556 ?
Ag0K Au02 Ag0K 176.78(4) 2_556 . ?
Au01 Au03 Au04 57.965(13) . . ?
Au01 Au03 Ag0A 61.195(17) . . ?
Au01 Au03 Ag0B 60.250(18) . . ?
Au01 Au03 Ag0F 60.789(18) . . ?
Au01 Au03 Ag0H 60.477(18) . . ?
Ag0A Au03 Au04 62.707(18) . . ?
Ag0A Au03 Ag0B 113.30(2) . . ?
Ag0A Au03 Ag0F 112.37(2) . . ?
Ag0A Au03 Ag0H 60.22(2) . . ?
Ag0B Au03 Au04 60.934(18) . . ?
Ag0B Au03 Ag0H 111.20(2) . . ?
Ag0F Au03 Au04 109.03(2) . . ?
Ag0F Au03 Ag0B 59.78(2) . . ?
Ag0F Au03 Ag0H 62.86(2) . . ?
Ag0H Au03 Au04 109.72(2) . . ?
P00Q Au03 Au01 176.40(7) . . ?
P00Q Au03 Au04 120.02(7) . . ?
P00Q Au03 Ag0A 121.13(7) . . ?
P00Q Au03 Ag0B 116.28(7) . . ?
P00Q Au03 Ag0F 118.86(7) . . ?
P00Q Au03 Ag0H 122.87(7) . . ?
Au01 Au04 Au03 56.967(14) . . ?
Au01 Au04 Ag0A 58.846(17) . . ?
Au01 Au04 Ag0B 59.247(18) . . ?
Au01 Au04 Ag0C 59.171(18) . . ?
Au01 Au04 Ag0E 59.243(18) . . ?
Au03 Au04 Ag0A 57.409(17) . . ?
Au03 Au04 Ag0B 59.128(18) . . ?
Ag0B Au04 Ag0A 107.42(2) . . ?
Ag0C Au04 Au03 106.51(2) . . ?
Ag0C Au04 Ag0A 60.89(2) . . ?
Ag0C Au04 Ag0B 111.11(2) . . ?
Ag0E Au04 Au03 106.75(2) . . ?
Ag0E Au04 Ag0A 111.48(2) . . ?
Ag0E Au04 Ag0B 59.78(2) . . ?
Ag0E Au04 Ag0C 64.32(2) . . ?
P00T Au04 Au01 176.09(7) . . ?
P00T Au04 Au03 125.89(6) . . ?
P00T Au04 Ag0A 119.67(6) . . ?
P00T Au04 Ag0B 124.16(7) . . ?
P00T Au04 Ag0C 116.93(7) . . ?
P00T Au04 Ag0E 120.02(6) . . ?
Au01 Au05 Au08 57.180(14) . . ?
Au01 Au05 Ag09 58.861(17) . . ?
Au01 Au05 Ag0C 58.886(18) . . ?
Au01 Au05 Ag0E 58.698(18) . . ?
Au01 Au05 Ag0G 58.401(17) . . ?
Au08 Au05 Ag09 58.453(18) . . ?
Au08 Au05 Ag0C 107.02(2) . . ?
Au08 Au05 Ag0E 106.09(2) . . ?
Au08 Au05 Ag0G 60.156(18) . . ?
Ag09 Au05 Ag0G 108.09(2) . . ?
Ag0C Au05 Ag09 110.32(2) . . ?
Ag0C Au05 Ag0E 63.68(2) . . ?
Ag0C Au05 Ag0G 58.75(2) . . ?
Ag0E Au05 Ag09 59.41(2) . . ?
Ag0E Au05 Ag0G 109.46(2) . . ?
P00R Au05 Au01 178.27(7) . . ?
P00R Au05 Au08 122.61(7) . . ?
P00R Au05 Ag09 119.46(7) . . ?
P00R Au05 Ag0C 122.30(7) . . ?
P00R Au05 Ag0E 120.36(7) . . ?
P00R Au05 Ag0G 123.18(7) . . ?
Au02 Au06 Au07 57.791(16) . . ?
Au02 Au06 Ag0D 61.228(16) . 2_556 ?
Au02 Au06 Ag0I 60.722(19) . . ?
Au02 Au06 Ag0I 61.253(19) . 2_556 ?
Au02 Au06 Ag0K 59.511(16) . . ?
Au07 Au06 Ag0I 108.62(2) . . ?
Au07 Au06 Ag0K 61.131(19) . . ?
Ag0D Au06 Au07 62.190(19) 2_556 . ?
Ag0D Au06 Ag0I 112.85(2) 2_556 . ?
Ag0D Au06 Ag0K 112.74(2) 2_556 . ?
Ag0I Au06 Au07 110.31(2) 2_556 . ?
Ag0I Au06 Ag0D 61.11(2) 2_556 2_556 ?
Ag0I Au06 Ag0I 63.33(3) 2_556 . ?
Ag0I Au06 Ag0K 58.61(2) . . ?
Ag0I Au06 Ag0K 110.82(2) 2_556 . ?
P00V Au06 Au02 174.68(7) . . ?
P00V Au06 Au07 124.24(7) . . ?
P00V Au06 Ag0D 124.05(7) . 2_556 ?
P00V Au06 Ag0I 119.68(7) . 2_556 ?
P00V Au06 Ag0I 114.54(7) . . ?
P00V Au06 Ag0K 116.41(7) . . ?
Au02 Au07 Au06 57.383(16) . . ?
Au02 Au07 Ag0D 59.752(15) . 2_556 ?
Au02 Au07 Ag0J 60.095(19) . 2_556 ?
Au02 Au07 Ag0J 59.747(19) . . ?
Au02 Au07 Ag0K 58.980(16) . . ?
Au06 Au07 Ag0D 58.705(19) . 2_556 ?
Au06 Au07 Ag0J 107.11(2) . . ?
Au06 Au07 Ag0K 60.056(19) . . ?
Ag0J Au07 Au06 108.69(2) 2_556 . ?
Ag0J Au07 Ag0D 111.75(2) 2_556 2_556 ?
Ag0J Au07 Ag0D 60.18(2) . 2_556 ?
Ag0J Au07 Ag0J 63.72(3) 2_556 . ?
Ag0J Au07 Ag0K 60.61(2) 2_556 . ?
Ag0J Au07 Ag0K 111.10(2) . . ?
Ag0K Au07 Ag0D 109.00(2) . 2_556 ?
P00Y Au07 Au02 177.57(7) . . ?
P00Y Au07 Au06 123.17(7) . . ?
P00Y Au07 Ag0D 118.22(7) . 2_556 ?
P00Y Au07 Ag0J 118.30(7) . . ?
P00Y Au07 Ag0J 120.80(7) . 2_556 ?
P00Y Au07 Ag0K 123.45(7) . . ?
Au01 Au08 Au05 58.586(14) . . ?
Au01 Au08 Ag09 60.809(18) . . ?
Au01 Au08 Ag0F 60.525(19) . . ?
Au01 Au08 Ag0G 59.452(18) . . ?
Au01 Au08 Ag0H 60.834(18) . . ?
Au05 Au08 Ag0F 109.96(2) . . ?
Au05 Au08 Ag0G 61.869(19) . . ?
Ag09 Au08 Au05 62.464(18) . . ?
Ag09 Au08 Ag0F 59.84(2) . . ?
Ag09 Au08 Ag0G 112.70(2) . . ?
Ag09 Au08 Ag0H 111.93(2) . . ?
Ag0F Au08 Ag0G 110.28(2) . . ?
Ag0H Au08 Au05 109.91(2) . . ?
Ag0H Au08 Ag0F 62.88(2) . . ?
Ag0H Au08 Ag0G 59.06(2) . . ?
P00Z Au08 Au01 174.52(8) . . ?
P00Z Au08 Au05 124.18(7) . . ?
P00Z Au08 Ag09 124.46(7) . . ?
P00Z Au08 Ag0F 119.77(7) . . ?
P00Z Au08 Ag0G 116.81(7) . . ?
P00Z Au08 Ag0H 114.04(7) . . ?
Au01 Ag09 Au05 56.172(16) . . ?
Au01 Ag09 Au08 56.547(17) . . ?
Au01 Ag09 Ag0B 58.48(2) . . ?
Au01 Ag09 Ag0E 57.74(2) . . ?
Au01 Ag09 Ag0F 59.54(2) . . ?
Au01 Ag09 Cu0O 109.67(4) . . ?
Au08 Ag09 Au05 59.083(17) . . ?
Au08 Ag09 Ag0B 106.62(2) . . ?
Au08 Ag09 Ag0E 106.36(3) . . ?
Au08 Ag09 Ag0F 60.84(2) . . ?
Au08 Ag09 Cu0O 166.10(4) . . ?
Ag0B Ag09 Au05 106.18(3) . . ?
Ag0E Ag09 Au05 59.13(2) . . ?
Ag0E Ag09 Ag0B 59.45(2) . . ?
Ag0F Ag09 Au05 108.07(3) . . ?
Ag0F Ag09 Ag0B 59.41(2) . . ?
Ag0F Ag09 Ag0E 107.71(3) . . ?
Ag0F Ag09 Cu0O 112.20(4) . . ?
Cu0O Ag09 Au05 116.54(4) . . ?
Cu0O Ag09 Ag0B 60.78(3) . . ?
Cu0O Ag09 Ag0E 63.00(4) . . ?
S011 Ag09 Au01 158.31(8) . . ?
S011 Ag09 Au05 119.55(7) . . ?
S011 Ag09 Au08 142.98(8) . . ?
S011 Ag09 Ag0B 108.60(8) . . ?
S011 Ag09 Ag0E 101.06(8) . . ?
S011 Ag09 Ag0F 132.08(7) . . ?
S011 Ag09 Cu0O 50.87(8) . . ?
Au01 Ag0A Au03 56.878(16) . . ?
Au01 Ag0A Au04 55.799(16) . . ?
Au01 Ag0A Ag0C 57.04(2) . . ?
Au01 Ag0A Ag0G 58.95(2) . . ?
Au01 Ag0A Ag0H 59.41(2) . . ?
Au01 Ag0A Cu0N 110.70(3) . . ?
Au03 Ag0A Au04 59.884(17) . . ?
Au03 Ag0A Ag0C 105.95(3) . . ?
Au03 Ag0A Ag0G 107.53(3) . . ?
Au03 Ag0A Ag0H 61.03(2) . . ?
Au03 Ag0A Cu0N 167.09(4) . . ?
Ag0C Ag0A Au04 57.73(2) . . ?
Ag0G Ag0A Au04 105.55(2) . . ?
Ag0G Ag0A Ag0C 59.14(2) . . ?
Ag0H Ag0A Au04 108.15(3) . . ?
Ag0H Ag0A Ag0C 107.06(3) . . ?
Ag0H Ag0A Ag0G 59.82(2) . . ?
Ag0H Ag0A Cu0N 117.58(4) . . ?
Cu0N Ag0A Au04 111.37(4) . . ?
Cu0N Ag0A Ag0C 61.54(3) . . ?
Cu0N Ag0A Ag0G 64.21(4) . . ?
S00W Ag0A Au01 161.68(8) . . ?
S00W Ag0A Au03 140.17(7) . . ?
S00W Ag0A Au04 121.48(7) . . ?
S00W Ag0A Ag0C 105.30(8) . . ?
S00W Ag0A Ag0G 109.46(7) . . ?
S00W Ag0A Ag0H 129.79(7) . . ?
S00W Ag0A Cu0N 51.70(8) . . ?
Au01 Ag0B Au03 56.416(16) . . ?
Au01 Ag0B Au04 56.494(17) . . ?
Au01 Ag0B Ag09 58.75(2) . . ?
Au01 Ag0B Ag0E 58.06(2) . . ?
Au01 Ag0B Ag0F 59.64(2) . . ?
Au01 Ag0B Cu0O 108.26(4) . . ?
Au03 Ag0B Au04 59.938(17) . . ?
Au03 Ag0B Ag09 106.24(3) . . ?
Au03 Ag0B Ag0E 106.74(3) . . ?
Au03 Ag0B Cu0O 164.23(4) . . ?
Ag09 Ag0B Au04 106.71(3) . . ?
Ag09 Ag0B Cu0O 58.84(4) . . ?
Ag0E Ag0B Au04 58.96(2) . . ?
Ag0E Ag0B Ag09 60.13(2) . . ?
Ag0E Ag0B Cu0O 62.56(3) . . ?
Ag0F Ag0B Au03 60.04(2) . . ?
Ag0F Ag0B Au04 108.44(3) . . ?
Ag0F Ag0B Ag09 59.45(2) . . ?
Ag0F Ag0B Ag0E 108.31(3) . . ?
Ag0F Ag0B Cu0O 110.57(4) . . ?
Cu0O Ag0B Au04 116.78(4) . . ?
S00X Ag0B Au01 148.60(8) . . ?
S00X Ag0B Au03 141.82(7) . . ?
S00X Ag0B Au04 147.94(8) . . ?
S00X Ag0B Ag09 90.02(7) . . ?
S00X Ag0B Ag0E 111.29(7) . . ?
S00X Ag0B Ag0F 103.61(8) . . ?
S00X Ag0B Cu0O 49.52(7) . . ?
Au01 Ag0C Au04 57.542(17) . . ?
Au01 Ag0C Au05 57.551(17) . . ?
Au01 Ag0C Ag0A 58.55(2) . . ?
Au01 Ag0C Ag0E 56.40(2) . . ?
Au01 Ag0C Ag0G 59.31(2) . . ?
Au01 Ag0C Cu0N 108.62(4) . . ?
Au04 Ag0C Au05 105.56(2) . . ?
Au04 Ag0C Ag0A 61.37(2) . . ?
Au04 Ag0C Ag0E 57.704(19) . . ?
Au04 Ag0C Ag0G 108.18(3) . . ?
Au04 Ag0C Cu0N 111.14(4) . . ?
Au05 Ag0C Ag0A 107.91(3) . . ?
Au05 Ag0C Ag0E 58.35(2) . . ?
Au05 Ag0C Cu0N 120.57(4) . . ?
Ag0A Ag0C Ag0E 106.72(3) . . ?
Ag0A Ag0C Cu0N 57.63(3) . . ?
Ag0G Ag0C Au05 62.35(2) . . ?
Ag0G Ag0C Ag0A 58.77(2) . . ?
Ag0G Ag0C Ag0E 108.10(3) . . ?
Ag0G Ag0C Cu0N 62.61(3) . . ?
Cu0N Ag0C Ag0E 164.07(4) . . ?
S00U Ag0C Au01 155.16(8) . . ?
S00U Ag0C Au04 131.98(7) . . ?
S00U Ag0C Au05 122.34(7) . . ?
S00U Ag0C Ag0A 103.22(7) . . ?
S00U Ag0C Ag0E 147.73(8) . . ?
S00U Ag0C Ag0G 97.50(8) . . ?
S00U Ag0C Cu0N 47.92(7) . . ?
Au02 Ag0D Au06 56.117(16) . 2_556 ?
Au02 Ag0D Au07 55.271(16) . 2_556 ?
Au02 Ag0D Ag0I 59.00(2) . . ?
Au02 Ag0D Ag0J 57.71(2) . 2_556 ?
Au02 Ag0D Ag0K 58.331(18) . . ?
Au02 Ag0D Cu0P 108.03(4) . . ?
Au06 Ag0D Au07 59.104(18) 2_556 2_556 ?
Au06 Ag0D Ag0I 59.42(2) 2_556 . ?
Au06 Ag0D Ag0J 106.11(3) 2_556 2_556 ?
Au06 Ag0D Ag0K 105.35(3) 2_556 . ?
Au06 Ag0D Cu0P 164.11(4) 2_556 . ?
Ag0I Ag0D Au07 106.55(3) . 2_556 ?
Ag0I Ag0D Ag0J 107.70(3) . 2_556 ?
Ag0I Ag0D Cu0P 113.30(4) . . ?
Ag0J Ag0D Au07 58.55(2) 2_556 2_556 ?
Ag0J Ag0D Cu0P 61.12(4) 2_556 . ?
Ag0K Ag0D Au07 105.73(3) . 2_556 ?
Ag0K Ag0D Ag0I 58.86(2) . . ?
Ag0K Ag0D Ag0J 60.48(2) . 2_556 ?
Ag0K Ag0D Cu0P 60.85(3) . . ?
Cu0P Ag0D Au07 114.69(4) . 2_556 ?
S014 Ag0D Au02 155.95(8) . . ?
S014 Ag0D Au06 144.98(7) . 2_556 ?
S014 Ag0D Au07 118.65(7) . 2_556 ?
S014 Ag0D Ag0I 134.68(7) . . ?
S014 Ag0D Ag0J 98.63(7) . 2_556 ?
S014 Ag0D Ag0K 108.32(7) . . ?
S014 Ag0D Cu0P 50.66(7) . . ?
Au01 Ag0E Au04 57.658(17) . . ?
Au01 Ag0E Au05 57.419(18) . . ?
Au01 Ag0E Ag09 59.23(2) . . ?
Au01 Ag0E Ag0B 59.30(2) . . ?
Au01 Ag0E Ag0C 56.44(2) . . ?
Au01 Ag0E Cu0O 106.69(4) . . ?
Au04 Ag0E Au05 105.46(2) . . ?
Au04 Ag0E Ag09 108.74(3) . . ?
Au04 Ag0E Ag0B 61.27(2) . . ?
Au04 Ag0E Ag0C 57.971(19) . . ?
Au04 Ag0E Cu0O 115.98(4) . . ?
Au05 Ag0E Ag09 61.47(2) . . ?
Au05 Ag0E Ag0C 57.96(2) . . ?
Au05 Ag0E Cu0O 114.05(4) . . ?
Ag09 Ag0E Ag0C 107.43(3) . . ?
Ag09 Ag0E Cu0O 57.89(3) . . ?
Ag0B Ag0E Au05 108.77(3) . . ?
Ag0B Ag0E Ag09 60.41(2) . . ?
Ag0B Ag0E Ag0C 107.27(3) . . ?
Ag0B Ag0E Cu0O 59.36(3) . . ?
Cu0O Ag0E Ag0C 163.11(4) . . ?
S00S Ag0E Au01 153.82(7) . . ?
S00S Ag0E Au04 122.56(7) . . ?
S00S Ag0E Au05 131.94(7) . . ?
S00S Ag0E Ag09 101.32(7) . . ?
S00S Ag0E Ag0B 96.66(7) . . ?
S00S Ag0E Ag0C 149.04(7) . . ?
S00S Ag0E Cu0O 47.80(7) . . ?
Au01 Ag0F Au03 56.249(17) . . ?
Au01 Ag0F Au08 55.926(17) . . ?
Au01 Ag0F Ag09 59.10(2) . . ?
Au01 Ag0F Ag0B 58.94(2) . . ?
Au01 Ag0F Ag0H 57.67(2) . . ?
Au01 Ag0F Ag0M 116.56(3) . . ?
Au03 Ag0F Au08 103.68(2) . . ?
Au03 Ag0F Ag0H 58.87(2) . . ?
Au08 Ag0F Ag0H 58.10(2) . . ?
Ag09 Ag0F Au03 107.65(3) . . ?
Ag09 Ag0F Au08 59.32(2) . . ?
Ag09 Ag0F Ag0H 107.57(3) . . ?
Ag0B Ag0F Au03 60.18(2) . . ?
Ag0B Ag0F Au08 106.78(3) . . ?
Ag0B Ag0F Ag09 61.14(2) . . ?
Ag0B Ag0F Ag0H 108.29(3) . . ?
Ag0M Ag0F Au03 90.74(3) . . ?
Ag0M Ag0F Au08 90.63(3) . . ?
Ag0M Ag0F Ag09 147.32(4) . . ?
Ag0M Ag0F Ag0B 148.57(4) . . ?
Ag0M Ag0F Ag0H 58.89(3) . . ?
S012 Ag0F Au01 149.25(7) . . ?
S012 Ag0F Au03 93.89(7) . . ?
S012 Ag0F Au08 137.50(8) . . ?
S012 Ag0F Ag09 148.91(7) . . ?
S012 Ag0F Ag0B 115.50(8) . . ?
S012 Ag0F Ag0H 102.68(7) . . ?
S012 Ag0F Ag0M 50.22(8) . . ?
Au01 Ag0G Au05 56.038(17) . . ?
Au01 Ag0G Au08 55.671(17) . . ?
Au01 Ag0G Ag0A 59.38(2) . . ?
Au01 Ag0G Ag0C 58.17(2) . . ?
Au01 Ag0G Ag0H 59.64(2) . . ?
Au01 Ag0G Cu0N 105.98(4) . . ?
Au05 Ag0G Cu0N 115.35(4) . . ?
Au08 Ag0G Au05 57.975(18) . . ?
Au08 Ag0G Cu0N 161.57(4) . . ?
Ag0A Ag0G Au05 107.81(3) . . ?
Ag0A Ag0G Au08 106.05(3) . . ?
Ag0A Ag0G Ag0C 62.09(2) . . ?
Ag0A Ag0G Cu0N 57.88(3) . . ?
Ag0C Ag0G Au05 58.90(2) . . ?
Ag0C Ag0G Au08 105.39(3) . . ?
Ag0C Ag0G Cu0N 60.38(3) . . ?
Ag0H Ag0G Au05 106.89(3) . . ?
Ag0H Ag0G Au08 59.26(2) . . ?
Ag0H Ag0G Ag0A 60.05(2) . . ?
Ag0H Ag0G Ag0C 109.58(3) . . ?
Ag0H Ag0G Cu0N 112.17(4) . . ?
S010 Ag0G Au01 147.57(7) . . ?
S010 Ag0G Au05 146.37(8) . . ?
S010 Ag0G Au08 146.56(8) . . ?
S010 Ag0G Ag0A 88.20(7) . . ?
S010 Ag0G Ag0C 108.01(8) . . ?
S010 Ag0G Ag0H 106.73(8) . . ?
S010 Ag0G Cu0N 48.78(8) . . ?
Au01 Ag0H Au03 56.073(17) . . ?
Au01 Ag0H Au08 56.269(17) . . ?
Au01 Ag0H Ag0A 59.19(2) . . ?
Au01 Ag0H Ag0F 57.76(2) . . ?
Au01 Ag0H Ag0G 58.98(2) . . ?
Au01 Ag0H Ag0M 115.47(3) . . ?
Au03 Ag0H Ag0F 58.27(2) . . ?
Au08 Ag0H Au03 103.92(2) . . ?
Au08 Ag0H Ag0A 107.99(3) . . ?
Au08 Ag0H Ag0F 59.02(2) . . ?
Au08 Ag0H Ag0M 90.47(3) . . ?
Ag0A Ag0H Au03 58.75(2) . . ?
Ag0A Ag0H Ag0F 107.39(3) . . ?
Ag0A Ag0H Ag0M 146.02(4) . . ?
Ag0G Ag0H Au03 106.00(3) . . ?
Ag0G Ag0H Au08 61.68(2) . . ?
Ag0G Ag0H Ag0A 60.13(2) . . ?
Ag0G Ag0H Ag0F 109.28(3) . . ?
Ag0G Ag0H Ag0M 150.34(4) . . ?
Ag0M Ag0H Au03 89.65(3) . . ?
Ag0M Ag0H Ag0F 57.71(3) . . ?
S017 Ag0H Au01 147.50(8) . . ?
S017 Ag0H Au03 136.97(8) . . ?
S017 Ag0H Au08 92.38(7) . . ?
S017 Ag0H Ag0A 150.93(8) . . ?
S017 Ag0H Ag0F 100.80(8) . . ?
S017 Ag0H Ag0G 116.73(8) . . ?
S017 Ag0H Ag0M 50.09(8) . . ?
Au02 Ag0I Au06 55.697(16) . . ?
Au02 Ag0I Au06 56.129(16) . 2_556 ?
Au02 Ag0I Ag0D 59.00(2) . . ?
Au02 Ag0I Ag0I 57.634(17) . 2_556 ?
Au02 Ag0I Ag0K 58.73(2) . . ?
Au02 Ag0I Ag0L 115.80(3) . . ?
Au06 Ag0I Au06 103.30(3) 2_556 . ?
Au06 Ag0I Ag0D 107.09(3) . . ?
Au06 Ag0I Ag0D 59.46(2) 2_556 . ?
Au06 Ag0I Ag0I 58.97(2) 2_556 2_556 ?
Au06 Ag0I Ag0I 57.70(2) . 2_556 ?
Au06 Ag0I Ag0L 90.64(2) 2_556 . ?
Ag0D Ag0I Ag0I 108.00(3) . 2_556 ?
Ag0K Ag0I Au06 60.89(2) . . ?
Ag0K Ag0I Au06 106.31(3) . 2_556 ?
Ag0K Ag0I Ag0D 60.04(2) . . ?
Ag0K Ag0I Ag0I 108.09(3) . 2_556 ?
Ag0K Ag0I Ag0L 148.55(3) . . ?
Ag0L Ag0I Au06 89.85(2) . . ?
Ag0L Ag0I Ag0D 147.94(3) . . ?
Ag0L Ag0I Ag0I 58.165(19) . 2_556 ?
S015 Ag0I Au02 150.39(8) . . ?
S015 Ag0I Au06 95.79(8) . . ?
S015 Ag0I Au06 136.00(8) . 2_556 ?
S015 Ag0I Ag0D 148.56(8) . . ?
S015 Ag0I Ag0I 102.35(8) . 2_556 ?
S015 Ag0I Ag0K 117.60(8) . . ?
S015 Ag0I Ag0L 49.73(8) . . ?
Au02 Ag0J Au07 56.643(17) . . ?
Au02 Ag0J Au07 56.954(16) . 2_556 ?
Au02 Ag0J Ag0D 59.22(2) . 2_556 ?
Au02 Ag0J Ag0J 56.986(18) . 2_556 ?
Au02 Ag0J Ag0K 58.25(2) . 2_556 ?
Au02 Ag0J Cu0P 107.94(4) . 2_556 ?
Au07 Ag0J Au07 104.51(3) 2_556 . ?
Au07 Ag0J Ag0D 61.28(2) . 2_556 ?
Au07 Ag0J Ag0D 107.80(3) 2_556 2_556 ?
Au07 Ag0J Ag0J 57.71(2) . 2_556 ?
Au07 Ag0J Ag0J 58.58(2) 2_556 2_556 ?
Au07 Ag0J Ag0K 106.61(3) . 2_556 ?
Au07 Ag0J Ag0K 61.16(2) 2_556 2_556 ?
Au07 Ag0J Cu0P 115.11(4) 2_556 2_556 ?
Au07 Ag0J Cu0P 115.70(4) . 2_556 ?
Ag0D Ag0J Ag0J 107.84(3) 2_556 2_556 ?
Ag0D Ag0J Cu0P 59.51(4) 2_556 2_556 ?
Ag0K Ag0J Ag0D 58.89(2) 2_556 2_556 ?
Ag0K Ag0J Ag0J 107.51(2) 2_556 2_556 ?
Ag0K Ag0J Cu0P 59.78(4) 2_556 2_556 ?
Cu0P Ag0J Ag0J 164.93(3) 2_556 2_556 ?
S013 Ag0J Au02 154.16(8) 2_556 . ?
S013 Ag0J Au07 119.65(7) 2_556 2_556 ?
S013 Ag0J Au07 135.79(7) 2_556 . ?
S013 Ag0J Ag0D 103.81(8) 2_556 2_556 ?
S013 Ag0J Ag0J 146.93(8) 2_556 2_556 ?
S013 Ag0J Ag0K 96.79(8) 2_556 2_556 ?
S013 Ag0J Cu0P 47.83(8) 2_556 2_556 ?
Au02 Ag0K Au06 56.013(17) . . ?
Au02 Ag0K Au07 55.929(17) . . ?
Au02 Ag0K Ag0D 59.847(19) . . ?
Au02 Ag0K Ag0I 60.28(2) . . ?
Au02 Ag0K Ag0J 58.22(2) . 2_556 ?
Au02 Ag0K Cu0P 108.97(4) . . ?
Au06 Ag0K Au07 58.813(18) . . ?
Au06 Ag0K Ag0J 105.78(3) . 2_556 ?
Au06 Ag0K Cu0P 164.95(4) . . ?
Au07 Ag0K Cu0P 113.63(4) . . ?
Ag0D Ag0K Au06 107.60(3) . . ?
Ag0D Ag0K Au07 106.85(3) . . ?
Ag0D Ag0K Ag0J 60.64(2) . 2_556 ?
Ag0D Ag0K Cu0P 60.50(4) . . ?
Ag0I Ag0K Au06 60.50(2) . . ?
Ag0I Ag0K Au07 108.27(3) . . ?
Ag0I Ag0K Ag0D 61.10(2) . . ?
Ag0I Ag0K Ag0J 109.61(3) . 2_556 ?
Ag0I Ag0K Cu0P 114.96(4) . . ?
Ag0J Ag0K Au07 58.22(2) 2_556 . ?
Ag0J Ag0K Cu0P 61.05(4) 2_556 . ?
S016 Ag0K Au02 147.71(7) . . ?
S016 Ag0K Au06 143.38(8) . . ?
S016 Ag0K Au07 148.60(8) . . ?
S016 Ag0K Ag0D 88.02(7) . . ?
S016 Ag0K Ag0I 103.13(8) . . ?
S016 Ag0K Ag0J 110.72(8) . 2_556 ?
S016 Ag0K Cu0P 49.88(8) . . ?
Ag0I Ag0L Ag0I 63.67(4) . 2_556 ?
S015 Ag0L Ag0I 56.82(8) 2_556 2_556 ?
S015 Ag0L Ag0I 56.82(8) . . ?
S015 Ag0L Ag0I 113.54(9) 2_556 . ?
S015 Ag0L Ag0I 113.54(9) . 2_556 ?
S015 Ag0L S015 170.01(17) . 2_556 ?
Ag0F Ag0M Ag0H 63.39(3) . . ?
S012 Ag0M Ag0F 57.20(7) . . ?
S012 Ag0M Ag0H 112.69(8) . . ?
S012 Ag0M S017 167.71(11) . . ?
S017 Ag0M Ag0F 110.73(8) . . ?
S017 Ag0M Ag0H 55.89(8) . . ?
Ag0A Cu0N Ag0C 60.83(3) . . ?
Ag0A Cu0N Ag0G 57.91(3) . . ?
Ag0C Cu0N Ag0G 57.01(3) . . ?
S00U Cu0N Ag0A 111.72(9) . . ?
S00U Cu0N Ag0C 53.66(7) . . ?
S00U Cu0N Ag0G 97.30(8) . . ?
S00U Cu0N S00W 131.67(12) . . ?
S00U Cu0N S010 124.65(12) . . ?
S00W Cu0N Ag0A 54.47(7) . . ?
S00W Cu0N Ag0C 107.02(8) . . ?
S00W Cu0N Ag0G 106.23(8) . . ?
S010 Cu0N Ag0A 90.43(9) . . ?
S010 Cu0N Ag0C 107.87(9) . . ?
S010 Cu0N Ag0G 52.03(8) . . ?
S010 Cu0N S00W 102.85(11) . . ?
Ag09 Cu0O Ag0B 60.38(3) . . ?
Ag09 Cu0O Ag0E 59.11(3) . . ?
Ag0B Cu0O Ag0E 58.08(3) . . ?
S00S Cu0O Ag09 107.10(8) . . ?
S00S Cu0O Ag0B 99.68(8) . . ?
S00S Cu0O Ag0E 52.92(7) . . ?
S00S Cu0O S00X 131.16(12) . . ?
S00S Cu0O S011 116.35(11) . . ?
S00X Cu0O Ag09 94.02(9) . . ?
S00X Cu0O Ag0B 53.77(7) . . ?
S00X Cu0O Ag0E 111.06(8) . . ?
S00X Cu0O S011 111.93(12) . . ?
S011 Cu0O Ag09 55.19(8) . . ?
S011 Cu0O Ag0B 112.27(9) . . ?
S011 Cu0O Ag0E 101.22(8) . . ?
Ag0D Cu0P Ag0J 59.38(4) . 2_556 ?
Ag0D Cu0P Ag0K 58.64(3) . . ?
Ag0K Cu0P Ag0J 59.17(3) . 2_556 ?
S013 Cu0P Ag0D 109.28(10) . . ?
S013 Cu0P Ag0J 53.86(8) . 2_556 ?
S013 Cu0P Ag0K 101.06(9) . . ?
S013 Cu0P S014 118.11(12) . . ?
S013 Cu0P S016 135.09(12) . . ?
S014 Cu0P Ag0D 53.86(8) . . ?
S014 Cu0P Ag0J 99.66(9) . 2_556 ?
S014 Cu0P Ag0K 109.23(9) . . ?
S016 Cu0P Ag0D 88.93(9) . . ?
S016 Cu0P Ag0J 112.37(9) . 2_556 ?
S016 Cu0P Ag0K 53.42(8) . . ?
S016 Cu0P S014 105.91(12) . . ?
C01N P00Q Au03 115.4(3) . . ?
C01N P00Q C01Y 105.9(5) . . ?
C01N P00Q C020 105.7(5) . . ?
C01Y P00Q Au03 110.7(3) . . ?
C020 P00Q Au03 116.0(4) . . ?
C020 P00Q C01Y 101.9(5) . . ?
C01L P00R Au05 112.3(3) . . ?
C01L P00R C025 102.4(5) . . ?
C01L P00R C02V 105.1(5) . . ?
C025 P00R Au05 116.9(3) . . ?
C02V P00R Au05 117.5(3) . . ?
C02V P00R C025 100.7(5) . . ?
Cu0O S00S Ag0E 79.27(9) . . ?
C030 S00S Ag0E 108.6(4) . . ?
C030 S00S Cu0O 112.0(4) . . ?
C01O P00T Au04 116.8(4) . . ?
C01O P00T C026 102.8(5) . . ?
C01O P00T C02Q 103.4(5) . . ?
C026 P00T Au04 115.8(4) . . ?
C02Q P00T Au04 112.8(3) . . ?
C02Q P00T C026 103.6(5) . . ?
Cu0N S00U Ag0C 78.42(9) . . ?
C038 S00U Ag0C 111.8(4) . . ?
C038 S00U Cu0N 115.8(4) . . ?
C01J P00V Au06 112.8(3) . . ?
C01J P00V C02A 106.2(4) . . ?
C01J P00V C03J 103.3(4) . . ?
C02A P00V Au06 114.9(3) . . ?
C02A P00V C03J 102.8(5) . . ?
C03J P00V Au06 115.6(4) . . ?
Cu0N S00W Ag0A 73.83(8) . . ?
C01V S00W Ag0A 113.5(4) . . ?
C01V S00W Cu0N 106.4(4) . . ?
Cu0O S00X Ag0B 76.71(9) . . ?
C03Y S00X Ag0B 117.8(4) . . ?
C03Y S00X Cu0O 119.3(4) . . ?
C02B P00Y Au07 112.2(3) . . ?
C02B P00Y C02N 103.4(4) . . ?
C01T P00Y Au07 114.9(3) . . ?
C01T P00Y C02B 105.0(4) . . ?
C01T P00Y C02N 104.3(3) . . ?
C02N P00Y Au07 115.8(2) . . ?
C022 P00Z Au08 114.5(4) . . ?
C022 P00Z C031 107.6(5) . . ?
C022 P00Z C03X 102.4(5) . . ?
C031 P00Z Au08 112.5(3) . . ?
C03X P00Z Au08 115.5(4) . . ?
C03X P00Z C031 103.2(5) . . ?
Cu0N S010 Ag0G 79.20(10) . . ?
C02D S010 Ag0G 114.3(4) . . ?
C02D S010 Cu0N 123.3(4) . . ?
Cu0O S011 Ag09 73.94(8) . . ?
C01X S011 Ag09 108.9(4) . . ?
C01X S011 Cu0O 115.5(4) . . ?
Ag0M S012 Ag0F 72.58(8) . . ?
C037 S012 Ag0F 114.9(3) . . ?
C037 S012 Ag0M 109.1(4) . . ?
Cu0P S013 Ag0J 78.31(10) . 2_556 ?
C03B S013 Ag0J 112.8(3) . 2_556 ?
C03B S013 Cu0P 117.4(3) . . ?
Cu0P S014 Ag0D 75.49(8) . . ?
C03O S014 Ag0D 113.3(4) . . ?
C03O S014 Cu0P 114.1(4) . . ?
Ag0L S015 Ag0I 73.45(10) . . ?
C05F S015 Ag0I 115.6(4) . . ?
C05F S015 Ag0L 107.8(4) . . ?
Cu0P S016 Ag0K 76.70(10) . . ?
C04I S016 Ag0K 114.3(3) . . ?
C04I S016 Cu0P 121.5(3) . . ?
Ag0M S017 Ag0H 74.02(9) . . ?
C06P S017 Ag0H 113.6(5) . . ?
C06P S017 Ag0M 112.5(5) . . ?
C057 O01E C02Z 118.5(8) . . ?
C04Q O01F C047 119.7(7) . . ?
C02O O01I C024 120.7(8) . . ?
C02E C01J P00V 122.1(5) . . ?
C02E C01J C01W 120.0 . . ?
C01W C01J P00V 117.8(5) . . ?
C01J C02E H02E 120.0 . . ?
C01J C02E C05M 120.0 . . ?
C05M C02E H02E 120.0 . . ?
C02E C05M H5 120.0 . . ?
C05G C05M C02E 120.0 . . ?
C05G C05M H5 120.0 . . ?
C05M C05G H6 120.0 . . ?
C05M C05G C039 120.0 . . ?
C039 C05G H6 120.0 . . ?
C05G C039 H039 120.0 . . ?
C05G C039 C01W 120.0 . . ?
C01W C039 H039 120.0 . . ?
C01J C01W H01W 120.0 . . ?
C039 C01W C01J 120.0 . . ?
C039 C01W H01W 120.0 . . ?
C01L C01K H01K 119.5 . . ?
C01L C01K C050 121.1(11) . . ?
C050 C01K H01K 119.5 . . ?
C01K C01L P00R 116.9(8) . . ?
C01K C01L C03Z 120.3(11) . . ?
C03Z C01L P00R 122.8(9) . . ?
C01P C01N P00Q 117.1(8) . . ?
C02Y C01N P00Q 120.9(8) . . ?
C02Y C01N C01P 121.9(11) . . ?
C024 C01O P00T 117.9(8) . . ?
C02F C01O P00T 122.5(8) . . ?
C02F C01O C024 118.9(10) . . ?
C01N C01P H01P 120.5 . . ?
C01N C01P C02X 118.9(11) . . ?
C02X C01P H01P 120.5 . . ?
C01Y C01U H01U 119.3 . . ?
C01Y C01U C03A 121.4(11) . . ?
C03A C01U H01U 119.3 . . ?
C027 C01V S00W 121.8(9) . . ?
C03D C01V S00W 119.0(10) . . ?
C03D C01V C027 118.9(11) . . ?
C01Z C01X S011 117.9(9) . . ?
C049 C01X S011 121.3(9) . . ?
C049 C01X C01Z 120.4(11) . . ?
C01U C01Y P00Q 122.7(8) . . ?
C01U C01Y C02O 118.5(10) . . ?
C02O C01Y P00Q 118.6(7) . . ?
C03P C01Z C01X 115.7(12) . . ?
C03P C01Z C05P 121.9(12) . . ?
C05P C01Z C01X 122.2(11) . . ?
C02L C020 P00Q 118.2(8) . . ?
C03L C020 P00Q 122.6(9) . . ?
C03L C020 C02L 119.1(11) . . ?
C02I C022 P00Z 121.7(8) . . ?
C02I C022 C02W 116.8(11) . . ?
C02W C022 P00Z 121.5(9) . . ?
C02B C023 H023 119.6 . . ?
C033 C023 H023 119.6 . . ?
C033 C023 C02B 120.7(11) . . ?
C01O C024 O01I 118.0(9) . . ?
C03M C024 O01I 121.1(10) . . ?
C03M C024 C01O 120.7(11) . . ?
C02Z C025 P00R 118.0(7) . . ?
C03R C025 P00R 124.0(9) . . ?
C03R C025 C02Z 117.8(10) . . ?
C034 C026 P00T 117.9(8) . . ?
C034 C026 C04O 121.1(11) . . ?
C04O C026 P00T 121.0(9) . . ?
C01V C027 C05B 123.9(11) . . ?
C041 C027 C01V 118.7(12) . . ?
C041 C027 C05B 117.3(12) . . ?
C03Y C028 C05J 122.7(12) . . ?
C040 C028 C03Y 120.5(12) . . ?
C040 C028 C05J 116.8(12) . . ?
C02J C029 H029 119.2 . . ?
C035 C029 H029 119.2 . . ?
C035 C029 C02J 121.7(11) . . ?
C02K C02A P00V 120.1(8) . . ?
C02K C02A C02P 118.5(10) . . ?
C02P C02A P00V 121.3(8) . . ?
C023 C02B P00Y 117.9(8) . . ?
C046 C02B P00Y 122.7(9) . . ?
C046 C02B C023 119.4(11) . . ?
C03E C02D S010 116.1(8) . . ?
C03N C02D S010 124.8(10) . . ?
C03N C02D C03E 118.9(12) . . ?
C01O C02F H02F 119.6 . . ?
C01O C02F C05S 120.9(11) . . ?
C05S C02F H02F 119.6 . . ?
C02P C02H H02H 119.9 . . ?
C02P C02H C032 120.2(11) . . ?
C032 C02H H02H 119.9 . . ?
C022 C02I H02I 119.0 . . ?
C06B C02I C022 122.0(12) . . ?
C06B C02I H02I 119.0 . . ?
C029 C02J H02J 120.6 . . ?
C029 C02J C02V 118.8(10) . . ?
C02V C02J H02J 120.6 . . ?
C02A C02K H02K 120.1 . . ?
C02A C02K C05N 119.8(11) . . ?
C05N C02K H02K 120.1 . . ?
C020 C02L H02L 119.5 . . ?
C059 C02L C020 120.9(11) . . ?
C059 C02L H02L 119.5 . . ?
O01I C02O C01Y 117.1(9) . . ?
C02U C02O O01I 120.9(10) . . ?
C02U C02O C01Y 121.9(10) . . ?
C02A C02P H02P 119.6 . . ?
C02H C02P C02A 120.7(11) . . ?
C02H C02P H02P 119.6 . . ?
C03K C02Q P00T 123.7(8) . . ?
C03K C02Q C04X 120.3(10) . . ?
C04X C02Q P00T 116.1(8) . . ?
C044 C02S H02S 120.0 . . ?
C044 C02S C01T 120.0 . . ?
C01T C02S H02S 120.0 . . ?
C02S C044 H044 120.0 . . ?
C02S C044 C02M 120.0 . . ?
C02M C044 H044 120.0 . . ?
C044 C02M H02M 120.0 . . ?
C044 C02M C02R 120.0 . . ?
C02R C02M H02M 120.0 . . ?
C02M C02R H02R 120.0 . . ?
C02M C02R C021 120.0 . . ?
C021 C02R H02R 120.0 . . ?
C02R C021 H021 120.0 . . ?
C01T C021 C02R 120.0 . . ?
C01T C021 H021 120.0 . . ?
C02S C01T P00Y 118.0(4) . . ?
C021 C01T P00Y 122.0(4) . . ?
C021 C01T C02S 120.0 . . ?
C03F C02T H02T 119.6 . . ?
C03Q C02T H02T 119.6 . . ?
C03Q C02T C03F 120.9(11) . . ?
C02O C02U H02U 121.7 . . ?
C02O C02U C045 116.5(11) . . ?
C045 C02U H02U 121.7 . . ?
C02J C02V P00R 118.7(8) . . ?
C05Q C02V P00R 121.3(8) . . ?
C05Q C02V C02J 119.9(10) . . ?
C022 C02W H02W 118.6 . . ?
C05C C02W C022 122.8(12) . . ?
C05C C02W H02W 118.6 . . ?
C01P C02X H02X 120.2 . . ?
C03U C02X C01P 119.6(12) . . ?
C03U C02X H02X 120.2 . . ?
C01N C02Y H02Y 120.5 . . ?
C01N C02Y C04L 119.1(11) . . ?
C04L C02Y H02Y 120.5 . . ?
O01E C02Z C025 116.8(9) . . ?
C04U C02Z O01E 123.5(10) . . ?
C04U C02Z C025 119.7(10) . . ?
C04E C030 S00S 120.5(8) . . ?
C04E C030 C05U 121.4(10) . . ?
C05U C030 S00S 118.0(9) . . ?
C036 C031 P00Z 116.4(5) . . ?
C036 C031 C05Y 120.0 . . ?
C05Y C031 P00Z 123.4(5) . . ?
C031 C036 H036 120.0 . . ?
C052 C036 C031 120.0 . . ?
C052 C036 H036 120.0 . . ?
C036 C052 H052 120.0 . . ?
C05H C052 C036 120.0 . . ?
C05H C052 H052 120.0 . . ?
C052 C05H H05H 120.0 . . ?
C052 C05H C070 120.0 . . ?
C070 C05H H05H 120.0 . . ?
C05H C070 H070 120.0 . . ?
C05H C070 C05Y 120.0 . . ?
C05Y C070 H070 120.0 . . ?
C031 C05Y H05Y 120.0 . . ?
C070 C05Y C031 120.0 . . ?
C070 C05Y H05Y 120.0 . . ?
C02H C032 H032 120.3 . . ?
C05N C032 C02H 119.4(12) . . ?
C05N C032 H032 120.3 . . ?
C023 C033 H033 119.5 . . ?
C023 C033 C042 121.0(12) . . ?
C042 C033 H033 119.5 . . ?
C026 C034 H034 120.4 . . ?
C026 C034 C04A 119.2(11) . . ?
C04A C034 H034 120.4 . . ?
C029 C035 H035 120.5 . . ?
C029 C035 C04P 118.9(11) . . ?
C04P C035 H035 120.5 . . ?
C04J C037 S012 119.0(9) . . ?
C058 C037 S012 119.1(9) . . ?
C058 C037 C04J 121.8(11) . . ?
C03S C038 S00U 120.8(9) . . ?
C03S C038 C061 120.7(12) . . ?
C061 C038 S00U 118.2(11) . . ?
C01U C03A H03A 120.6 . . ?
C045 C03A C01U 118.7(11) . . ?
C045 C03A H03A 120.6 . . ?
C04C C03B S013 121.0(5) . . ?
C04C C03B C06Q 120.0 . . ?
C06Q C03B S013 118.9(5) . . ?
C03B C04C C048 123.7(8) . . ?
C06H C04C C03B 120.0 . . ?
C06H C04C C048 116.3(8) . . ?
C04C C06H H06U 120.0 . . ?
C04C C06H C06S 120.0 . . ?
C06S C06H H06U 120.0 . . ?
C06H C06S H06V 120.0 . . ?
C072 C06S C06H 120.0 . . ?
C072 C06S H06V 120.0 . . ?
C06S C072 H072 120.0 . . ?
C06S C072 C06Q 120.0 . . ?
C06Q C072 H072 120.0 . . ?
C03B C06Q C06I 121.8(8) . . ?
C072 C06Q C03B 120.0 . . ?
C072 C06Q C06I 118.2(8) . . ?
C03G C03C H03I 119.7 . . ?
C03J C03C H03I 119.7 . . ?
C03J C03C C03G 120.6(11) . . ?
C01V C03D C04V 120.4(13) . . ?
C01V C03D C06N 122.0(12) . . ?
C04V C03D C06N 117.5(12) . . ?
C02D C03E C05V 122.6(11) . . ?
C06D C03E C02D 119.7(11) . . ?
C06D C03E C05V 117.7(12) . . ?
C02T C03F H03F 120.3 . . ?
C02T C03F C03X 119.3(11) . . ?
C03X C03F H03F 120.3 . . ?
C03C C03G H03J 119.5 . . ?
C03W C03G C03C 121.1(11) . . ?
C03W C03G H03J 119.5 . . ?
C042 C03H H03N 119.9 . . ?
C046 C03H H03N 119.9 . . ?
C046 C03H C042 120.2(11) . . ?
H03B C03I H03C 109.5 . . ?
H03B C03I H03D 109.5 . . ?
H03C C03I H03D 109.5 . . ?
C04E C03I H03B 109.5 . . ?
C04E C03I H03C 109.5 . . ?
C04E C03I H03D 109.5 . . ?
C03C C03J P00V 123.0(8) . . ?
C03C C03J C047 117.1(10) . . ?
C047 C03J P00V 119.7(8) . . ?
C02Q C03K H03K 120.0 . . ?
C02Q C03K C04G 120.1(11) . . ?
C04G C03K H03K 120.0 . . ?
C020 C03L H03L 120.0 . . ?
C020 C03L C05D 120.0(12) . . ?
C05D C03L H03L 120.0 . . ?
C024 C03M H03M 120.5 . . ?
C064 C03M C024 119.1(11) . . ?
C064 C03M H03M 120.5 . . ?
C02D C03N C06V 121.7(13) . . ?
C074 C03N C02D 120.3(14) . . ?
C074 C03N C06V 117.9(12) . . ?
C04W C03O S014 121.1(10) . . ?
C04W C03O C066 119.9(11) . . ?
C066 C03O S014 118.7(9) . . ?
C01Z C03P H03P 118.1 . . ?
C01Z C03P C05O 123.9(13) . . ?
C05O C03P H03P 118.1 . . ?
C02T C03Q H03Q 120.0 . . ?
C04M C03Q C02T 120.0(11) . . ?
C04M C03Q H03Q 120.0 . . ?
C025 C03R H03R 118.4 . . ?
C025 C03R C05K 123.2(11) . . ?
C05K C03R H03R 118.4 . . ?
C038 C03S C056 124.4(12) . . ?
C038 C03S C05T 120.6(12) . . ?
C05T C03S C056 115.0(12) . . ?
H03E C03T H03G 109.5 . . ?
H03E C03T H03H 109.5 . . ?
H03G C03T H03H 109.5 . . ?
C04J C03T H03E 109.5 . . ?
C04J C03T H03G 109.5 . . ?
C04J C03T H03H 109.5 . . ?
C02X C03U H03U 119.9 . . ?
C02X C03U C04L 120.2(12) . . ?
C04L C03U H03U 119.9 . . ?
C04G C03V H03V 119.6 . . ?
C04R C03V H03V 119.6 . . ?
C04R C03V C04G 120.8(11) . . ?
C03G C03W H03W 120.3 . . ?
C03G C03W C04N 119.5(11) . . ?
C04N C03W H03W 120.3 . . ?
C03F C03X P00Z 122.1(9) . . ?
C057 C03X P00Z 119.7(9) . . ?
C057 C03X C03F 118.1(10) . . ?
C028 C03Y S00X 123.1(9) . . ?
C07C C03Y S00X 117.4(10) . . ?
C07C C03Y C028 119.6(11) . . ?
C01L C03Z H03Z 121.2 . . ?
C04D C03Z C01L 117.6(11) . . ?
C04D C03Z H03Z 121.2 . . ?
C028 C040 H040 120.4 . . ?
C028 C040 C05E 119.2(13) . . ?
C05E C040 H040 120.4 . . ?
C027 C041 H041 118.3 . . ?
C027 C041 C04Y 123.4(13) . . ?
C04Y C041 H041 118.3 . . ?
C033 C042 C03H 117.0(11) . . ?
C033 C042 H042 121.5 . . ?
C03H C042 H042 121.5 . . ?
C02U C045 H045 118.6 . . ?
C03A C045 C02U 122.7(11) . . ?
C03A C045 H045 118.6 . . ?
C02B C046 C03H 121.5(11) . . ?
C02B C046 H046 119.2 . . ?
C03H C046 H046 119.2 . . ?
O01F C047 C03J 118.1(9) . . ?
C04N C047 O01F 121.5(10) . . ?
C04N C047 C03J 120.3(10) . . ?
C04C C048 H04I 109.5 . . ?
C04C C048 H04J 109.5 . . ?
C04C C048 H04K 109.5 . . ?
H04I C048 H04J 109.5 . . ?
H04I C048 H04K 109.5 . . ?
H04J C048 H04K 109.5 . . ?
C01X C049 C06K 121.4(12) . . ?
C05Z C049 C01X 119.0(12) . . ?
C05Z C049 C06K 119.5(13) . . ?
C034 C04A H04A 120.6 . . ?
C04S C04A C034 118.9(13) . . ?
C04S C04A H04A 120.6 . . ?
C05C C04B H04B 120.5 . . ?
C06B C04B H04B 120.5 . . ?
C06B C04B C05C 118.9(13) . . ?
C03Z C04D H04D 118.5 . . ?
C03Z C04D C065 123.1(12) . . ?
C065 C04D H04D 118.5 . . ?
C030 C04E C03I 123.0(9) . . ?
C068 C04E C030 117.8(10) . . ?
C068 C04E C03I 119.2(11) . . ?
H04N C04F H04Q 109.5 . . ?
H04N C04F H04T 109.5 . . ?
H04Q C04F H04T 109.5 . . ?
C066 C04F H04N 109.5 . . ?
C066 C04F H04Q 109.5 . . ?
C066 C04F H04T 109.5 . . ?
C03K C04G C03V 120.2(12) . . ?
C03K C04G H04G 119.9 . . ?
C03V C04G H04G 119.9 . . ?
C04U C04H H04H 119.3 . . ?
C05K C04H H04H 119.3 . . ?
C05K C04H C04U 121.4(11) . . ?
C053 C04I S016 123.1(5) . . ?
C053 C04I C06A 120.0 . . ?
C06A C04I S016 116.8(5) . . ?
C04I C053 C05R 120.0 . . ?
C04I C053 C06E 123.1(7) . . ?
C05R C053 C06E 116.8(7) . . ?
C053 C05R H7 120.0 . . ?
C06U C05R C053 120.0 . . ?
C06U C05R H7 120.0 . . ?
C05R C06U H06W 120.0 . . ?
C06W C06U C05R 120.0 . . ?
C06W C06U H06W 120.0 . . ?
C06U C06W H06X 120.0 . . ?
C06U C06W C06A 120.0 . . ?
C06A C06W H06X 120.0 . . ?
C04I C06A C06W 120.0 . . ?
C04I C06A C075 123.5(8) . . ?
C06W C06A C075 116.5(8) . . ?
C037 C04J C03T 121.7(11) . . ?
C060 C04J C037 116.8(12) . . ?
C060 C04J C03T 121.4(11) . . ?
C02Y C04L C03U 120.2(11) . . ?
C02Y C04L H04L 119.9 . . ?
C03U C04L H04L 119.9 . . ?
C03Q C04M H04M 119.5 . . ?
C03Q C04M C057 121.0(12) . . ?
C057 C04M H04M 119.5 . . ?
C03W C04N C047 121.3(11) . . ?
C03W C04N H04W 119.4 . . ?
C047 C04N H04W 119.4 . . ?
C026 C04O H04O 120.5 . . ?
C026 C04O C04Z 119.0(13) . . ?
C04Z C04O H04O 120.5 . . ?
C035 C04P H04P 119.2 . . ?
C05Q C04P C035 121.6(11) . . ?
C05Q C04P H04P 119.2 . . ?
O01F C04Q C02N 119.2(6) . . ?
O01F C04Q C043 120.7(6) . . ?
C02N C04Q C043 120.0 . . ?
C04Q C02N P00Y 118.2(4) . . ?
C02C C02N P00Y 121.7(4) . . ?
C02C C02N C04Q 120.0 . . ?
C02N C02C H02C 120.0 . . ?
C02N C02C C04K 120.0 . . ?
C04K C02C H02C 120.0 . . ?
C02C C04K H04 120.0 . . ?
C02C C04K C02G 120.0 . . ?
C02G C04K H04 120.0 . . ?
C04K C02G H02G 120.0 . . ?
C043 C02G C04K 120.0 . . ?
C043 C02G H02G 120.0 . . ?
C04Q C043 H043 120.0 . . ?
C02G C043 C04Q 120.0 . . ?
C02G C043 H043 120.0 . . ?
C03V C04R H04R 120.5 . . ?
C03V C04R C04X 119.0(11) . . ?
C04X C04R H04R 120.5 . . ?
C04A C04S H04S 119.2 . . ?
C04A C04S C04Z 121.7(13) . . ?
C04Z C04S H04S 119.2 . . ?
H04C C04T H04E 109.5 . . ?
H04C C04T H04F 109.5 . . ?
H04E C04T H04F 109.5 . . ?
C05U C04T H04C 109.5 . . ?
C05U C04T H04E 109.5 . . ?
C05U C04T H04F 109.5 . . ?
C02Z C04U C04H 119.4(12) . . ?
C02Z C04U H04U 120.3 . . ?
C04H C04U H04U 120.3 . . ?
C03D C04V H04V 118.9 . . ?
C04Y C04V C03D 122.2(13) . . ?
C04Y C04V H04V 118.9 . . ?
C03O C04W C069 118.1(12) . . ?
C03O C04W C06J 122.3(12) . . ?
C069 C04W C06J 119.4(12) . . ?
C02Q C04X C04R 119.7(11) . . ?
C02Q C04X H04X 120.2 . . ?
C04R C04X H04X 120.2 . . ?
C041 C04Y H04Y 121.8 . . ?
C04V C04Y C041 116.3(13) . . ?
C04V C04Y H04Y 121.8 . . ?
C04O C04Z H04Z 120.0 . . ?
C04S C04Z C04O 120.0(13) . . ?
C04S C04Z H04Z 120.0 . . ?
C01K C050 H050 120.1 . . ?
C065 C050 C01K 119.9(12) . . ?
C065 C050 H050 120.1 . . ?
H05A C051 H05B 109.5 . . ?
H05A C051 H05C 109.5 . . ?
H05B C051 H05C 109.5 . . ?
C063 C051 H05A 109.5 . . ?
C063 C051 H05B 109.5 . . ?
C063 C051 H05C 109.5 . . ?
C05I C054 H054 119.2 . . ?
C060 C054 H054 119.2 . . ?
C060 C054 C05I 121.6(12) . . ?
C061 C055 H055 120.9 . . ?
C076 C055 H055 120.9 . . ?
C076 C055 C061 118.2(13) . . ?
C03S C056 H05D 109.5 . . ?
C03S C056 H05E 109.5 . . ?
C03S C056 H05F 109.5 . . ?
H05D C056 H05E 109.5 . . ?
H05D C056 H05F 109.5 . . ?
H05E C056 H05F 109.5 . . ?
O01E C057 C03X 117.6(10) . . ?
O01E C057 C04M 121.8(11) . . ?
C04M C057 C03X 120.5(11) . . ?
C037 C058 C05I 119.0(12) . . ?
C037 C058 C06C 124.9(11) . . ?
C05I C058 C06C 116.1(11) . . ?
C02L C059 H059 120.2 . . ?
C02L C059 C05A 119.5(12) . . ?
C05A C059 H059 120.2 . . ?
C059 C05A H05G 119.5 . . ?
C05D C05A C059 121.1(12) . . ?
C05D C05A H05G 119.5 . . ?
C027 C05B H05I 109.5 . . ?
C027 C05B H05J 109.5 . . ?
C027 C05B H05K 109.5 . . ?
H05I C05B H05J 109.5 . . ?
H05I C05B H05K 109.5 . . ?
H05J C05B H05K 109.5 . . ?
C02W C05C C04B 119.0(12) . . ?
C02W C05C H05L 120.5 . . ?
C04B C05C H05L 120.5 . . ?
C03L C05D H05M 120.4 . . ?
C05A C05D C03L 119.3(12) . . ?
C05A C05D H05M 120.4 . . ?
C040 C05E H05N 120.1 . . ?
C05L C05E C040 119.8(13) . . ?
C05L C05E H05N 120.1 . . ?
C078 C05F S015 119.4(6) . . ?
C078 C05F C06T 120.0 . . ?
C06T C05F S015 120.5(6) . . ?
C05F C078 C06X 121.6(9) . . ?
C07H C078 C05F 120.0 . . ?
C07H C078 C06X 118.4(9) . . ?
C078 C07H H07H 120.0 . . ?
C078 C07H C07E 120.0 . . ?
C07E C07H H07H 120.0 . . ?
C07H C07E H07G 120.0 . . ?
C077 C07E C07H 120.0 . . ?
C077 C07E H07G 120.0 . . ?
C07E C077 H077 120.0 . . ?
C06T C077 C07E 120.0 . . ?
C06T C077 H077 120.0 . . ?
C05F C06T C13 122.4(10) . . ?
C077 C06T C05F 120.0 . . ?
C077 C06T C13 117.6(10) . . ?
C054 C05I C058 118.5(12) . . ?
C054 C05I H05O 120.8 . . ?
C058 C05I H05O 120.8 . . ?
C028 C05J H05P 109.5 . . ?
C028 C05J H05Q 109.5 . . ?
C028 C05J H05R 109.5 . . ?
H05P C05J H05Q 109.5 . . ?
H05P C05J H05R 109.5 . . ?
H05Q C05J H05R 109.5 . . ?
C03R C05K H05S 120.7 . . ?
C04H C05K C03R 118.5(11) . . ?
C04H C05K H05S 120.7 . . ?
C05E C05L H05T 119.8 . . ?
C07C C05L C05E 120.4(13) . . ?
C07C C05L H05T 119.8 . . ?
C02K C05N H8 119.4 . . ?
C032 C05N C02K 121.2(12) . . ?
C032 C05N H8 119.4 . . ?
C03P C05O H05U 121.2 . . ?
C05Z C05O C03P 117.7(13) . . ?
C05Z C05O H05U 121.2 . . ?
C01Z C05P H05V 109.5 . . ?
C01Z C05P H05W 109.5 . . ?
C01Z C05P H05X 109.5 . . ?
H05V C05P H05W 109.5 . . ?
H05V C05P H05X 109.5 . . ?
H05W C05P H05X 109.5 . . ?
C02V C05Q H05Z 120.5 . . ?
C04P C05Q C02V 118.9(11) . . ?
C04P C05Q H05Z 120.5 . . ?
C02F C05S H05 120.2 . . ?
C064 C05S C02F 119.7(12) . . ?
C064 C05S H05 120.2 . . ?
C03S C05T H1 120.2 . . ?
C076 C05T C03S 119.6(13) . . ?
C076 C05T H1 120.2 . . ?
C030 C05U C04T 122.4(10) . . ?
C06Y C05U C030 117.2(11) . . ?
C06Y C05U C04T 120.3(10) . . ?
C03E C05V H2 109.5 . . ?
C03E C05V H 109.5 . . ?
C03E C05V HA 109.5 . . ?
H2 C05V H 109.5 . . ?
H2 C05V HA 109.5 . . ?
H C05V HA 109.5 . . ?
C06D C05W H3 120.3 . . ?
C06D C05W C074 119.4(13) . . ?
C074 C05W H3 120.3 . . ?
C049 C05Z H4 118.4 . . ?
C05O C05Z C049 123.2(13) . . ?
C05O C05Z H4 118.4 . . ?
C04J C060 H060 118.9 . . ?
C054 C060 C04J 122.3(12) . . ?
C054 C060 H060 118.9 . . ?
C038 C061 C055 119.9(13) . . ?
C038 C061 C067 126.0(13) . . ?
C055 C061 C067 114.0(12) . . ?
C066 C062 H062 118.6 . . ?
C06R C062 H062 118.6 . . ?
C06R C062 C066 122.9(14) . . ?
C06P C063 C051 121.5(12) . . ?
C071 C063 C051 119.9(13) . . ?
C071 C063 C06P 118.4(13) . . ?
C03M C064 H064 119.6 . . ?
C05S C064 C03M 120.8(11) . . ?
C05S C064 H064 119.6 . . ?
C04D C065 H065 121.0 . . ?
C050 C065 C04D 118.1(12) . . ?
C050 C065 H065 121.0 . . ?
C03O C066 C04F 122.5(12) . . ?
C062 C066 C03O 117.4(13) . . ?
C062 C066 C04F 120.1(12) . . ?
C061 C067 H06A 109.5 . . ?
C061 C067 H06B 109.5 . . ?
C061 C067 H06C 109.5 . . ?
H06A C067 H06B 109.5 . . ?
H06A C067 H06C 109.5 . . ?
H06B C067 H06C 109.5 . . ?
C04E C068 H068 119.7 . . ?
C06G C068 C04E 120.7(12) . . ?
C06G C068 H068 119.6 . . ?
C04W C069 H069 118.9 . . ?
C06R C069 C04W 122.2(13) . . ?
C06R C069 H069 118.9 . . ?
C02I C06B C04B 120.4(13) . . ?
C02I C06B H06D 119.8 . . ?
C04B C06B H06D 119.8 . . ?
C058 C06C H06E 109.5 . . ?
C058 C06C H06F 109.5 . . ?
C058 C06C H06G 109.5 . . ?
H06E C06C H06F 109.5 . . ?
H06E C06C H06G 109.5 . . ?
H06F C06C H06G 109.5 . . ?
C03E C06D H06H 119.9 . . ?
C05W C06D C03E 120.2(13) . . ?
C05W C06D H06H 119.9 . . ?
C053 C06E H06Z 109.5 . . ?
C053 C06E HB 109.5 . . ?
C053 C06E HC 109.5 . . ?
H06Z C06E HB 109.5 . . ?
H06Z C06E HC 109.5 . . ?
HB C06E HC 109.5 . . ?
C06L C06F H06I 120.0 . . ?
C06O C06F H06I 120.0 . . ?
C06O C06F C06L 120.0(13) . . ?
C068 C06G H06J 119.6 . . ?
C06Y C06G C068 120.9(11) . . ?
C06Y C06G H06J 119.6 . . ?
C06Q C06I H06 109.5 . . ?
C06Q C06I HD 109.5 . . ?
C06Q C06I HE 109.5 . . ?
H06 C06I HD 109.5 . . ?
H06 C06I HE 109.5 . . ?
HD C06I HE 109.5 . . ?
C04W C06J H9 109.5 . . ?
C04W C06J HF 109.5 . . ?
C04W C06J HG 109.5 . . ?
H9 C06J HF 109.5 . . ?
H9 C06J HG 109.5 . . ?
HF C06J HG 109.5 . . ?
C049 C06K H06K 109.5 . . ?
C049 C06K H06L 109.5 . . ?
C049 C06K H06M 109.5 . . ?
H06K C06K H06L 109.5 . . ?
H06K C06K H06M 109.5 . . ?
H06L C06K H06M 109.5 . . ?
C06F C06L C07A 117.2(12) . . ?
C06P C06L C06F 119.6(13) . . ?
C06P C06L C07A 123.2(12) . . ?
C03D C06N H06N 109.5 . . ?
C03D C06N H06O 109.5 . . ?
C03D C06N H06P 109.5 . . ?
H06N C06N H06O 109.5 . . ?
H06N C06N H06P 109.5 . . ?
H06O C06N H06P 109.5 . . ?
C06F C06O H06Q 119.5 . . ?
C06F C06O C071 121.1(13) . . ?
C071 C06O H06Q 119.5 . . ?
C063 C06P S017 118.2(10) . . ?
C06L C06P S017 121.7(10) . . ?
C06L C06P C063 119.5(12) . . ?
C062 C06R H10 120.2 . . ?
C069 C06R C062 119.6(13) . . ?
C069 C06R H10 120.2 . . ?
C03N C06V H06R 109.5 . . ?
C03N C06V H06S 109.5 . . ?
C03N C06V H06T 109.5 . . ?
H06R C06V H06S 109.5 . . ?
H06R C06V H06T 109.5 . . ?
H06S C06V H06T 109.5 . . ?
C078 C06X H11 109.5 . . ?
C078 C06X HH 109.5 . . ?
C078 C06X HI 109.5 . . ?
H11 C06X HH 109.5 . . ?
H11 C06X HI 109.5 . . ?
HH C06X HI 109.5 . . ?
C05U C06Y H06Y 119.2 . . ?
C06G C06Y C05U 121.7(11) . . ?
C06G C06Y H06Y 119.2 . . ?
C063 C071 C06O 121.2(14) . . ?
C063 C071 H071 119.4 . . ?
C06O C071 H071 119.4 . . ?
H07A C073 H07B 109.5 . . ?
H07A C073 H07C 109.5 . . ?
H07B C073 H07C 109.5 . . ?
C07C C073 H07A 109.5 . . ?
C07C C073 H07B 109.5 . . ?
C07C C073 H07C 109.5 . . ?
C03N C074 C05W 121.0(13) . . ?
C03N C074 H074 119.5 . . ?
C05W C074 H074 119.5 . . ?
C06A C075 H07I 109.5 . . ?
C06A C075 H07J 109.5 . . ?
C06A C075 H07K 109.5 . . ?
H07I C075 H07J 109.5 . . ?
H07I C075 H07K 109.5 . . ?
H07J C075 H07K 109.5 . . ?
C055 C076 H076 119.5 . . ?
C05T C076 C055 120.9(14) . . ?
C05T C076 H076 119.5 . . ?
C06L C07A H07D 109.5 . . ?
C06L C07A H07E 109.5 . . ?
C06L C07A H07F 109.5 . . ?
H07D C07A H07E 109.5 . . ?
H07D C07A H07F 109.5 . . ?
H07E C07A H07F 109.5 . . ?
C03Y C07C C073 122.9(12) . . ?
C05L C07C C03Y 120.5(13) . . ?
C05L C07C C073 116.4(12) . . ?
C06T C13 H13A 109.5 . . ?
C06T C13 H13B 109.5 . . ?
C06T C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Au03 P00Q C01N C01P -29.2(10) . . . . ?
Au03 P00Q C01N C02Y 151.9(8) . . . . ?
Au03 P00Q C01Y C01U 112.2(8) . . . . ?
Au03 P00Q C01Y C02O -62.1(8) . . . . ?
Au03 P00Q C020 C02L -39.9(9) . . . . ?
Au03 P00Q C020 C03L 143.7(8) . . . . ?
Au04 P00T C01O C024 -55.5(9) . . . . ?
Au04 P00T C01O C02F 133.9(9) . . . . ?
Au04 P00T C026 C034 -24.2(11) . . . . ?
Au04 P00T C026 C04O 157.4(8) . . . . ?
Au04 P00T C02Q C03K 139.1(9) . . . . ?
Au04 P00T C02Q C04X -39.9(9) . . . . ?
Au05 P00R C01L C01K -36.6(10) . . . . ?
Au05 P00R C01L C03Z 145.2(9) . . . . ?
Au05 P00R C025 C02Z -54.4(9) . . . . ?
Au05 P00R C025 C03R 130.1(8) . . . . ?
Au05 P00R C02V C02J -20.1(11) . . . . ?
Au05 P00R C02V C05Q 157.2(8) . . . . ?
Au06 P00V C01J C02E -129.5(4) . . . . ?
Au06 P00V C01J C01W 52.7(4) . . . . ?
Au06 P00V C02A C02K 27.1(10) . . . . ?
Au06 P00V C02A C02P -155.0(8) . . . . ?
Au06 P00V C03J C03C -132.0(8) . . . . ?
Au06 P00V C03J C047 53.0(10) . . . . ?
Au07 P00Y C02B C023 45.6(10) . . . . ?
Au07 P00Y C02B C046 -135.2(9) . . . . ?
Au07 P00Y C01T C02S 41.0(4) . . . . ?
Au07 P00Y C01T C021 -138.5(3) . . . . ?
Au07 P00Y C02N C04Q 51.5(4) . . . . ?
Au07 P00Y C02N C02C -125.6(3) . . . . ?
Au08 P00Z C022 C02I -23.9(11) . . . . ?
Au08 P00Z C022 C02W 155.0(9) . . . . ?
Au08 P00Z C031 C036 -46.4(5) . . . . ?
Au08 P00Z C031 C05Y 137.4(4) . . . . ?
Au08 P00Z C03X C03F 128.1(9) . . . . ?
Au08 P00Z C03X C057 -49.7(10) . . . . ?
Ag09 S011 C01X C01Z -134.5(8) . . . . ?
Ag09 S011 C01X C049 52.1(10) . . . . ?
Ag0A S00W C01V C027 43.0(10) . . . . ?
Ag0A S00W C01V C03D -144.1(8) . . . . ?
Ag0B S00X C03Y C028 -30.0(11) . . . . ?
Ag0B S00X C03Y C07C 149.9(8) . . . . ?
Ag0C S00U C038 C03S 42.4(11) . . . . ?
Ag0C S00U C038 C061 -142.6(10) . . . . ?
Ag0D S014 C03O C04W 133.8(8) . . . . ?
Ag0D S014 C03O C066 -53.4(10) . . . . ?
Ag0E S00S C030 C04E 41.3(10) . . . . ?
Ag0E S00S C030 C05U -142.9(8) . . . . ?
Ag0F S012 C037 C04J 46.0(10) . . . . ?
Ag0F S012 C037 C058 -137.7(8) . . . . ?
Ag0G S010 C02D C03E 161.8(8) . . . . ?
Ag0G S010 C02D C03N -13.3(14) . . . . ?
Ag0H S017 C06P C063 66.6(12) . . . . ?
Ag0H S017 C06P C06L -122.8(11) . . . . ?
Ag0I S015 C05F C078 -41.6(6) . . . . ?
Ag0I S015 C05F C06T 140.5(4) . . . . ?
Ag0J S013 C03B C04C -43.4(5) 2_556 . . . ?
Ag0J S013 C03B C06Q 140.4(4) 2_556 . . . ?
Ag0K S016 C04I C053 28.7(6) . . . . ?
Ag0K S016 C04I C06A -148.4(4) . . . . ?
Ag0L S015 C05F C078 -121.4(4) . . . . ?
Ag0L S015 C05F C06T 60.7(5) . . . . ?
Ag0M S012 C037 C04J 125.1(9) . . . . ?
Ag0M S012 C037 C058 -58.5(10) . . . . ?
Ag0M S017 C06P C063 148.3(10) . . . . ?
Ag0M S017 C06P C06L -41.1(13) . . . . ?
Cu0N S00U C038 C03S 129.7(9) . . . . ?
Cu0N S00U C038 C061 -55.3(12) . . . . ?
Cu0N S00W C01V C027 122.1(9) . . . . ?
Cu0N S00W C01V C03D -65.0(9) . . . . ?
Cu0N S010 C02D C03E -105.4(10) . . . . ?
Cu0N S010 C02D C03N 79.6(13) . . . . ?
Cu0O S00S C030 C04E 127.0(8) . . . . ?
Cu0O S00S C030 C05U -57.2(10) . . . . ?
Cu0O S00X C03Y C028 59.9(11) . . . . ?
Cu0O S00X C03Y C07C -120.2(9) . . . . ?
Cu0O S011 C01X C01Z -53.8(9) . . . . ?
Cu0O S011 C01X C049 132.9(8) . . . . ?
Cu0P S013 C03B C04C -131.7(4) . . . . ?
Cu0P S013 C03B C06Q 52.1(5) . . . . ?
Cu0P S014 C03O C04W 49.9(10) . . . . ?
Cu0P S014 C03O C066 -137.3(8) . . . . ?
Cu0P S016 C04I C053 -60.2(6) . . . . ?
Cu0P S016 C04I C06A 122.7(4) . . . . ?
P00Q C01N C01P C02X 179.9(9) . . . . ?
P00Q C01N C02Y C04L -180.0(9) . . . . ?
P00Q C01Y C02O O01I 1.2(12) . . . . ?
P00Q C01Y C02O C02U 178.7(8) . . . . ?
P00Q C020 C02L C059 -175.4(8) . . . . ?
P00Q C020 C03L C05D 173.8(9) . . . . ?
P00R C01L C03Z C04D 176.6(9) . . . . ?
P00R C025 C02Z O01E 5.8(12) . . . . ?
P00R C025 C02Z C04U -177.2(8) . . . . ?
P00R C025 C03R C05K 176.1(8) . . . . ?
P00R C02V C05Q C04P 177.7(9) . . . . ?
S00S C030 C04E C03I 0.4(15) . . . . ?
S00S C030 C04E C068 179.7(8) . . . . ?
S00S C030 C05U C04T -0.2(16) . . . . ?
S00S C030 C05U C06Y 179.5(8) . . . . ?
P00T C01O C024 O01I 14.9(13) . . . . ?
P00T C01O C024 C03M -170.8(9) . . . . ?
P00T C01O C02F C05S 171.1(9) . . . . ?
P00T C026 C034 C04A -178.5(9) . . . . ?
P00T C026 C04O C04Z 176.3(9) . . . . ?
P00T C02Q C03K C04G -178.8(9) . . . . ?
P00T C02Q C04X C04R 178.4(8) . . . . ?
S00U C038 C03S C056 -4.2(17) . . . . ?
S00U C038 C03S C05T 175.9(9) . . . . ?
S00U C038 C061 C055 -176.9(10) . . . . ?
S00U C038 C061 C067 6(2) . . . . ?
P00V C01J C02E C05M -177.7(6) . . . . ?
P00V C01J C01W C039 177.8(5) . . . . ?
P00V C02A C02K C05N -178.8(10) . . . . ?
P00V C02A C02P C02H -179.8(9) . . . . ?
P00V C03J C047 O01F -5.0(14) . . . . ?
P00V C03J C047 C04N 177.9(8) . . . . ?
S00W C01V C027 C041 174.5(9) . . . . ?
S00W C01V C027 C05B -4.0(16) . . . . ?
S00W C01V C03D C04V -175.2(9) . . . . ?
S00W C01V C03D C06N 3.2(16) . . . . ?
S00X C03Y C07C C05L -178.9(10) . . . . ?
S00X C03Y C07C C073 -3.9(17) . . . . ?
P00Y C02B C046 C03H 179.1(9) . . . . ?
P00Y C02N C02C C04K 177.1(5) . . . . ?
P00Z C022 C02I C06B 177.0(10) . . . . ?
P00Z C022 C02W C05C -178.2(10) . . . . ?
P00Z C031 C036 C052 -176.4(5) . . . . ?
P00Z C031 C05Y C070 176.1(6) . . . . ?
P00Z C03X C057 O01E -1.6(14) . . . . ?
P00Z C03X C057 C04M 177.1(9) . . . . ?
S010 C02D C03E C05V 8.5(17) . . . . ?
S010 C02D C03E C06D -172.5(10) . . . . ?
S010 C02D C03N C06V -6(2) . . . . ?
S010 C02D C03N C074 170.4(11) . . . . ?
S011 C01X C01Z C03P -174.9(8) . . . . ?
S011 C01X C01Z C05P -0.1(15) . . . . ?
S011 C01X C049 C05Z 177.4(9) . . . . ?
S011 C01X C049 C06K -3.3(16) . . . . ?
S012 C037 C04J C03T -2.3(15) . . . . ?
S012 C037 C04J C060 179.2(9) . . . . ?
S012 C037 C058 C05I -177.7(9) . . . . ?
S012 C037 C058 C06C 4.0(17) . . . . ?
S013 C03B C04C C06H -176.2(6) . . . . ?
S013 C03B C04C C048 0.7(10) . . . . ?
S013 C03B C06Q C072 176.2(6) . . . . ?
S013 C03B C06Q C06I -5.4(9) . . . . ?
S014 C03O C04W C069 172.6(8) . . . . ?
S014 C03O C04W C06J -2.0(16) . . . . ?
S014 C03O C066 C04F 7.1(16) . . . . ?
S014 C03O C066 C062 -174.2(9) . . . . ?
S015 C05F C078 C07H -177.9(7) . . . . ?
S015 C05F C078 C06X -1.4(9) . . . . ?
S015 C05F C06T C077 177.9(7) . . . . ?
S015 C05F C06T C13 -0.6(11) . . . . ?
S016 C04I C053 C05R -177.0(7) . . . . ?
S016 C04I C053 C06E 5.5(10) . . . . ?
S016 C04I C06A C06W 177.2(6) . . . . ?
S016 C04I C06A C075 -3.2(10) . . . . ?
O01E C02Z C04U C04H 177.4(9) . . . . ?
O01F C047 C04N C03W -179.8(10) . . . . ?
O01F C04Q C02N P00Y -0.3(6) . . . . ?
O01F C04Q C02N C02C 176.9(7) . . . . ?
O01F C04Q C043 C02G -176.8(7) . . . . ?
O01I C024 C03M C064 173.1(10) . . . . ?
O01I C02O C02U C045 172.6(9) . . . . ?
C01J P00V C02A C02K -98.4(9) . . . . ?
C01J P00V C02A C02P 79.5(9) . . . . ?
C01J P00V C03J C03C -8.2(10) . . . . ?
C01J P00V C03J C047 176.7(8) . . . . ?
C01J C02E C05M C05G 0.0 . . . . ?
C02E C01J C01W C039 0.0 . . . . ?
C02E C05M C05G C039 0.0 . . . . ?
C05M C05G C039 C01W 0.0 . . . . ?
C05G C039 C01W C01J 0.0 . . . . ?
C01W C01J C02E C05M 0.0 . . . . ?
C01K C01L C03Z C04D -1.5(17) . . . . ?
C01K C050 C065 C04D -1.0(19) . . . . ?
C01L P00R C025 C02Z -177.7(8) . . . . ?
C01L P00R C025 C03R 6.9(10) . . . . ?
C01L P00R C02V C02J 105.6(10) . . . . ?
C01L P00R C02V C05Q -77.0(10) . . . . ?
C01L C01K C050 C065 0.1(19) . . . . ?
C01L C03Z C04D C065 0.6(19) . . . . ?
C01N P00Q C01Y C01U -122.1(9) . . . . ?
C01N P00Q C01Y C02O 63.6(9) . . . . ?
C01N P00Q C020 C02L -169.1(8) . . . . ?
C01N P00Q C020 C03L 14.5(11) . . . . ?
C01N C01P C02X C03U -0.4(19) . . . . ?
C01N C02Y C04L C03U 0.4(19) . . . . ?
C01O P00T C026 C034 -152.7(10) . . . . ?
C01O P00T C026 C04O 28.9(11) . . . . ?
C01O P00T C02Q C03K -93.8(10) . . . . ?
C01O P00T C02Q C04X 87.1(9) . . . . ?
C01O C024 C03M C064 -1.0(17) . . . . ?
C01O C02F C05S C064 -0.3(19) . . . . ?
C01P C01N C02Y C04L 1.2(18) . . . . ?
C01P C02X C03U C04L 2(2) . . . . ?
C01U C01Y C02O O01I -173.4(9) . . . . ?
C01U C01Y C02O C02U 4.1(15) . . . . ?
C01U C03A C045 C02U -4.1(17) . . . . ?
C01V C027 C041 C04Y 0.5(18) . . . . ?
C01V C03D C04V C04Y 0.5(19) . . . . ?
C01X C01Z C03P C05O -2.9(18) . . . . ?
C01X C049 C05Z C05O -3(2) . . . . ?
C01Y P00Q C01N C01P -152.0(9) . . . . ?
C01Y P00Q C01N C02Y 29.1(11) . . . . ?
C01Y P00Q C020 C02L 80.4(9) . . . . ?
C01Y P00Q C020 C03L -96.0(10) . . . . ?
C01Y C01U C03A C045 3.2(16) . . . . ?
C01Y C02O C02U C045 -4.8(16) . . . . ?
C01Z C01X C049 C05Z 4.2(17) . . . . ?
C01Z C01X C049 C06K -176.5(11) . . . . ?
C01Z C03P C05O C05Z 4.4(19) . . . . ?
C020 P00Q C01N C01P 100.3(9) . . . . ?
C020 P00Q C01N C02Y -78.6(10) . . . . ?
C020 P00Q C01Y C01U -11.8(10) . . . . ?
C020 P00Q C01Y C02O 174.0(8) . . . . ?
C020 C02L C059 C05A 1.2(17) . . . . ?
C020 C03L C05D C05A 1.5(19) . . . . ?
C022 P00Z C031 C036 -173.4(5) . . . . ?
C022 P00Z C031 C05Y 10.4(6) . . . . ?
C022 P00Z C03X C03F -106.7(10) . . . . ?
C022 P00Z C03X C057 75.5(10) . . . . ?
C022 C02I C06B C04B 0(2) . . . . ?
C022 C02W C05C C04B 2(2) . . . . ?
C023 C02B C046 C03H -1.7(18) . . . . ?
C023 C033 C042 C03H 2.1(19) . . . . ?
C024 O01I C02O C01Y -139.3(10) . . . . ?
C024 O01I C02O C02U 43.1(14) . . . . ?
C024 C01O C02F C05S 0.5(17) . . . . ?
C024 C03M C064 C05S 1.2(19) . . . . ?
C025 P00R C01L C01K 89.7(9) . . . . ?
C025 P00R C01L C03Z -88.6(10) . . . . ?
C025 P00R C02V C02J -148.3(9) . . . . ?
C025 P00R C02V C05Q 29.0(11) . . . . ?
C025 C02Z C04U C04H 0.6(16) . . . . ?
C025 C03R C05K C04H 1.0(17) . . . . ?
C026 P00T C01O C024 72.4(9) . . . . ?
C026 P00T C01O C02F -98.2(10) . . . . ?
C026 P00T C02Q C03K 13.1(11) . . . . ?
C026 P00T C02Q C04X -165.9(8) . . . . ?
C026 C034 C04A C04S 3(2) . . . . ?
C026 C04O C04Z C04S 1(2) . . . . ?
C027 C01V C03D C04V -2.1(18) . . . . ?
C027 C01V C03D C06N 176.4(11) . . . . ?
C027 C041 C04Y C04V -2.0(19) . . . . ?
C028 C03Y C07C C05L 1.0(19) . . . . ?
C028 C03Y C07C C073 176.0(11) . . . . ?
C028 C040 C05E C05L -2(2) . . . . ?
C029 C02J C02V P00R -177.9(8) . . . . ?
C029 C02J C02V C05Q 4.8(17) . . . . ?
C029 C035 C04P C05Q -2(2) . . . . ?
C02A P00V C01J C02E -2.8(6) . . . . ?
C02A P00V C01J C01W 179.4(5) . . . . ?
C02A P00V C03J C03C 102.1(10) . . . . ?
C02A P00V C03J C047 -72.9(10) . . . . ?
C02A C02K C05N C032 -4(2) . . . . ?
C02B P00Y C01T C02S -82.8(5) . . . . ?
C02B P00Y C01T C021 97.7(5) . . . . ?
C02B P00Y C02N C04Q 174.7(5) . . . . ?
C02B P00Y C02N C02C -2.4(5) . . . . ?
C02B C023 C033 C042 -0.2(19) . . . . ?
C02D C03E C06D C05W 3(2) . . . . ?
C02D C03N C074 C05W 0(2) . . . . ?
C02F C01O C024 O01I -174.2(10) . . . . ?
C02F C01O C024 C03M 0.1(17) . . . . ?
C02F C05S C064 C03M -0.5(19) . . . . ?
C02H C032 C05N C02K 3(2) . . . . ?
C02I C022 C02W C05C 0.7(19) . . . . ?
C02J C029 C035 C04P 1.5(19) . . . . ?
C02J C02V C05Q C04P -5.1(18) . . . . ?
C02K C02A C02P C02H -1.8(17) . . . . ?
C02L C020 C03L C05D -2.6(17) . . . . ?
C02L C059 C05A C05D -2.3(18) . . . . ?
C02O O01I C024 C01O -135.0(10) . . . . ?
C02O O01I C024 C03M 50.7(15) . . . . ?
C02O C02U C045 C03A 4.8(17) . . . . ?
C02P C02A C02K C05N 3.3(17) . . . . ?
C02P C02H C032 C05N -1.5(18) . . . . ?
C02Q P00T C01O C024 -180.0(8) . . . . ?
C02Q P00T C01O C02F 9.4(11) . . . . ?
C02Q P00T C026 C034 99.9(10) . . . . ?
C02Q P00T C026 C04O -78.5(10) . . . . ?
C02Q C03K C04G C03V 0.0(18) . . . . ?
C02S C044 C02M C02R 0.0 . . . . ?
C044 C02S C01T P00Y -179.5(5) . . . . ?
C044 C02S C01T C021 0.0 . . . . ?
C044 C02M C02R C021 0.0 . . . . ?
C02M C02R C021 C01T 0.0 . . . . ?
C02R C021 C01T P00Y 179.5(5) . . . . ?
C02R C021 C01T C02S 0.0 . . . . ?
C01T P00Y C02B C023 171.0(8) . . . . ?
C01T P00Y C02B C046 -9.7(11) . . . . ?
C01T P00Y C02N C04Q -75.7(4) . . . . ?
C01T P00Y C02N C02C 107.1(4) . . . . ?
C01T C02S C044 C02M 0.0 . . . . ?
C02T C03F C03X P00Z -177.8(9) . . . . ?
C02T C03F C03X C057 0.1(17) . . . . ?
C02T C03Q C04M C057 2.1(19) . . . . ?
C02V P00R C01L C01K -165.5(9) . . . . ?
C02V P00R C01L C03Z 16.2(11) . . . . ?
C02V P00R C025 C02Z 74.1(9) . . . . ?
C02V P00R C025 C03R -101.4(9) . . . . ?
C02W C022 C02I C06B -1.9(19) . . . . ?
C02X C03U C04L C02Y -2(2) . . . . ?
C02Y C01N C01P C02X -1.2(18) . . . . ?
C02Z O01E C057 C03X -127.7(10) . . . . ?
C02Z O01E C057 C04M 53.7(15) . . . . ?
C02Z C025 C03R C05K 0.7(16) . . . . ?
C030 C04E C068 C06G 1.1(17) . . . . ?
C030 C05U C06Y C06G 0.4(19) . . . . ?
C031 P00Z C022 C02I 101.9(10) . . . . ?
C031 P00Z C022 C02W -79.2(10) . . . . ?
C031 P00Z C03X C03F 5.0(11) . . . . ?
C031 P00Z C03X C057 -172.9(9) . . . . ?
C031 C036 C052 C05H 0.0 . . . . ?
C036 C031 C05Y C070 0.0 . . . . ?
C036 C052 C05H C070 0.0 . . . . ?
C052 C05H C070 C05Y 0.0 . . . . ?
C05H C070 C05Y C031 0.0 . . . . ?
C05Y C031 C036 C052 0.0 . . . . ?
C032 C02H C02P C02A 1.0(18) . . . . ?
C033 C023 C02B P00Y 179.1(9) . . . . ?
C033 C023 C02B C046 -0.1(18) . . . . ?
C034 C026 C04O C04Z -2.1(19) . . . . ?
C034 C04A C04S C04Z -4(2) . . . . ?
C035 C029 C02J C02V -3.0(18) . . . . ?
C035 C04P C05Q C02V 3.6(19) . . . . ?
C037 C04J C060 C054 -3.8(19) . . . . ?
C037 C058 C05I C054 0.7(19) . . . . ?
C038 C03S C05T C076 -0.4(19) . . . . ?
C03A C01U C01Y P00Q -177.5(8) . . . . ?
C03A C01U C01Y C02O -3.2(15) . . . . ?
C03B C04C C06H C06S 0.0 . . . . ?
C04C C03B C06Q C072 0.0 . . . . ?
C04C C03B C06Q C06I 178.4(10) . . . . ?
C04C C06H C06S C072 0.0 . . . . ?
C06H C06S C072 C06Q 0.0 . . . . ?
C06S C072 C06Q C03B 0.0 . . . . ?
C06S C072 C06Q C06I -178.4(9) . . . . ?
C06Q C03B C04C C06H 0.0 . . . . ?
C06Q C03B C04C C048 176.9(10) . . . . ?
C03C C03G C03W C04N -3.5(19) . . . . ?
C03C C03J C047 O01F 179.7(9) . . . . ?
C03C C03J C047 C04N 2.6(16) . . . . ?
C03D C01V C027 C041 1.6(17) . . . . ?
C03D C01V C027 C05B -176.9(11) . . . . ?
C03D C04V C04Y C041 1.5(19) . . . . ?
C03E C02D C03N C06V 179.0(13) . . . . ?
C03E C02D C03N C074 -5(2) . . . . ?
C03F C02T C03Q C04M -2.9(19) . . . . ?
C03F C03X C057 O01E -179.5(10) . . . . ?
C03F C03X C057 C04M -0.8(17) . . . . ?
C03G C03C C03J P00V -178.1(8) . . . . ?
C03G C03C C03J C047 -2.9(16) . . . . ?
C03G C03W C04N C047 3.2(19) . . . . ?
C03I C04E C068 C06G -179.7(11) . . . . ?
C03J P00V C01J C02E 104.9(5) . . . . ?
C03J P00V C01J C01W -72.8(5) . . . . ?
C03J P00V C02A C02K 153.5(9) . . . . ?
C03J P00V C02A C02P -28.6(10) . . . . ?
C03J C03C C03G C03W 3.5(18) . . . . ?
C03J C047 C04N C03W -2.8(18) . . . . ?
C03K C02Q C04X C04R -0.7(16) . . . . ?
C03L C020 C02L C059 1.2(16) . . . . ?
C03N C02D C03E C05V -176.1(13) . . . . ?
C03N C02D C03E C06D 3(2) . . . . ?
C03O C04W C069 C06R 0.5(18) . . . . ?
C03P C05O C05Z C049 -1(2) . . . . ?
C03Q C02T C03F C03X 1.8(18) . . . . ?
C03Q C04M C057 O01E 178.3(11) . . . . ?
C03Q C04M C057 C03X -0.3(18) . . . . ?
C03R C025 C02Z O01E -178.5(9) . . . . ?
C03R C025 C02Z C04U -1.4(15) . . . . ?
C03S C038 C061 C055 -2(2) . . . . ?
C03S C038 C061 C067 -179.3(13) . . . . ?
C03S C05T C076 C055 1(2) . . . . ?
C03T C04J C060 C054 177.7(12) . . . . ?
C03V C04R C04X C02Q 1.0(17) . . . . ?
C03X P00Z C022 C02I -149.7(10) . . . . ?
C03X P00Z C022 C02W 29.1(11) . . . . ?
C03X P00Z C031 C036 78.8(5) . . . . ?
C03X P00Z C031 C05Y -97.4(5) . . . . ?
C03Y C028 C040 C05E 0.3(19) . . . . ?
C03Z C04D C065 C050 1(2) . . . . ?
C040 C028 C03Y S00X -179.9(9) . . . . ?
C040 C028 C03Y C07C 0.2(19) . . . . ?
C040 C05E C05L C07C 3(2) . . . . ?
C042 C03H C046 C02B 3.7(18) . . . . ?
C046 C03H C042 C033 -3.8(18) . . . . ?
C047 O01F C04Q C02N 139.7(8) . . . . ?
C047 O01F C04Q C043 -43.4(10) . . . . ?
C048 C04C C06H C06S -177.1(9) . . . . ?
C049 C01X C01Z C03P -1.5(16) . . . . ?
C049 C01X C01Z C05P 173.3(11) . . . . ?
C04A C04S C04Z C04O 2(2) . . . . ?
C04E C030 C05U C04T 175.5(11) . . . . ?
C04E C030 C05U C06Y -4.8(17) . . . . ?
C04E C068 C06G C06Y -5(2) . . . . ?
C04G C03V C04R C04X -0.8(18) . . . . ?
C04I C053 C05R C06U 0.0 . . . . ?
C053 C04I C06A C06W 0.0 . . . . ?
C053 C04I C06A C075 179.6(10) . . . . ?
C053 C05R C06U C06W 0.0 . . . . ?
C05R C06U C06W C06A 0.0 . . . . ?
C06U C06W C06A C04I 0.0 . . . . ?
C06U C06W C06A C075 -179.7(10) . . . . ?
C06A C04I C053 C05R 0.0 . . . . ?
C06A C04I C053 C06E -177.6(10) . . . . ?
C04J C037 C058 C05I -1.5(18) . . . . ?
C04J C037 C058 C06C -179.8(12) . . . . ?
C04O C026 C034 C04A -0.1(19) . . . . ?
C04Q O01F C047 C03J 131.6(10) . . . . ?
C04Q O01F C047 C04N -51.3(14) . . . . ?
C04Q C02N C02C C04K 0.0 . . . . ?
C02N P00Y C02B C023 -79.9(9) . . . . ?
C02N P00Y C02B C046 99.4(10) . . . . ?
C02N P00Y C01T C02S 168.8(4) . . . . ?
C02N P00Y C01T C021 -10.7(5) . . . . ?
C02N C04Q C043 C02G 0.0 . . . . ?
C02N C02C C04K C02G 0.0 . . . . ?
C02C C04K C02G C043 0.0 . . . . ?
C04K C02G C043 C04Q 0.0 . . . . ?
C043 C04Q C02N P00Y -177.2(5) . . . . ?
C043 C04Q C02N C02C 0.0 . . . . ?
C04R C03V C04G C03K 0.3(18) . . . . ?
C04T C05U C06Y C06G -179.9(12) . . . . ?
C04U C04H C05K C03R -1.9(17) . . . . ?
C04W C03O C066 C04F -179.9(11) . . . . ?
C04W C03O C066 C062 -1.3(17) . . . . ?
C04W C069 C06R C062 1(2) . . . . ?
C04X C02Q C03K C04G 0.2(17) . . . . ?
C050 C01K C01L P00R -177.1(9) . . . . ?
C050 C01K C01L C03Z 1.2(18) . . . . ?
C051 C063 C06P S017 -8.9(19) . . . . ?
C051 C063 C06P C06L -179.8(13) . . . . ?
C051 C063 C071 C06O -176.7(13) . . . . ?
C056 C03S C05T C076 179.7(11) . . . . ?
C057 O01E C02Z C025 -141.7(10) . . . . ?
C057 O01E C02Z C04U 41.4(15) . . . . ?
C058 C037 C04J C03T -178.5(11) . . . . ?
C058 C037 C04J C060 3.0(17) . . . . ?
C059 C05A C05D C03L 0.9(19) . . . . ?
C05B C027 C041 C04Y 179.1(11) . . . . ?
C05C C04B C06B C02I 2(2) . . . . ?
C05E C05L C07C C03Y -3(2) . . . . ?
C05E C05L C07C C073 -178.0(12) . . . . ?
C05F C078 C07H C07E 0.0 . . . . ?
C078 C05F C06T C077 0.0 . . . . ?
C078 C05F C06T C13 -178.5(11) . . . . ?
C078 C07H C07E C077 0.0 . . . . ?
C07H C07E C077 C06T 0.0 . . . . ?
C07E C077 C06T C05F 0.0 . . . . ?
C07E C077 C06T C13 178.6(10) . . . . ?
C06T C05F C078 C07H 0.0 . . . . ?
C06T C05F C078 C06X 176.5(10) . . . . ?
C05I C054 C060 C04J 3(2) . . . . ?
C05J C028 C03Y S00X 0.9(18) . . . . ?
C05J C028 C03Y C07C -179.0(12) . . . . ?
C05J C028 C040 C05E 179.6(12) . . . . ?
C05K C04H C04U C02Z 1.1(17) . . . . ?
C05P C01Z C03P C05O -177.7(12) . . . . ?
C05U C030 C04E C03I -175.2(10) . . . . ?
C05U C030 C04E C068 4.0(17) . . . . ?
C05V C03E C06D C05W -177.5(12) . . . . ?
C060 C054 C05I C058 -2(2) . . . . ?
C061 C038 C03S C056 -179.0(12) . . . . ?
C061 C038 C03S C05T 1.0(19) . . . . ?
C061 C055 C076 C05T -2(2) . . . . ?
C066 C03O C04W C069 -0.2(17) . . . . ?
C066 C03O C04W C06J -174.8(11) . . . . ?
C066 C062 C06R C069 -2(2) . . . . ?
C068 C06G C06Y C05U 5(2) . . . . ?
C06B C04B C05C C02W -3(2) . . . . ?
C06C C058 C05I C054 179.1(12) . . . . ?
C06D C05W C074 C03N 6(2) . . . . ?
C06E C053 C05R C06U 177.7(9) . . . . ?
C06F C06L C06P S017 -176.5(10) . . . . ?
C06F C06L C06P C063 -6(2) . . . . ?
C06F C06O C071 C063 -1(2) . . . . ?
C06J C04W C069 C06R 175.3(12) . . . . ?
C06K C049 C05Z C05O 177.9(12) . . . . ?
C06L C06F C06O C071 0(2) . . . . ?
C06N C03D C04V C04Y -178.0(12) . . . . ?
C06O C06F C06L C06P 4(2) . . . . ?
C06O C06F C06L C07A -177.0(13) . . . . ?
C06P C063 C071 C06O -1(2) . . . . ?
C06R C062 C066 C03O 2.6(19) . . . . ?
C06R C062 C066 C04F -178.7(12) . . . . ?
C06V C03N C074 C05W 176.8(14) . . . . ?
C06X C078 C07H C07E -176.6(10) . . . . ?
C071 C063 C06P S017 175.2(10) . . . . ?
C071 C063 C06P C06L 4(2) . . . . ?
C074 C05W C06D C03E -8(2) . . . . ?
C076 C055 C061 C038 2(2) . . . . ?
C076 C055 C061 C067 179.9(13) . . . . ?
C07A C06L C06P S017 4.6(19) . . . . ?
C07A C06L C06P C063 175.1(12) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 -0.043 -0.212 0.094 305.1 77.2 ?
2 0.043 0.212 0.906 305.1 72.1 ?
3 0.043 0.288 0.406 305.1 74.6 ?
4 -0.043 0.712 0.594 305.1 74.6 ?
5 0.250 0.750 0.750 793.7 202.4 ?
6 0.250 0.750 0.250 793.7 202.4 ?
7 0.152 0.111 0.560 124.5 43.3 ?
8 0.152 0.389 0.060 124.5 43.3 ?
9 0.250 0.222 1.000 50.2 8.1 ?
10 0.250 0.278 0.500 50.2 8.5 ?
11 0.348 0.389 0.940 124.5 37.2 ?
12 0.348 0.111 0.440 124.5 37.2 ?
13 0.457 0.212 0.094 305.1 74.6 ?
14 0.457 0.288 0.594 305.1 77.2 ?
15 0.543 0.712 0.406 305.1 72.1 ?
16 0.543 0.788 0.906 305.1 74.6 ?
17 0.750 0.250 0.250 793.7 202.4 ?
18 0.750 0.250 0.750 793.7 202.4 ?
19 0.652 0.611 0.060 124.5 43.3 ?
20 0.652 0.889 0.560 124.5 43.3 ?
21 0.750 0.722 0.500 50.2 8.1 ?
22 0.750 0.778 0.000 50.2 8.5 ?
23 0.848 0.889 0.440 124.5 37.2 ?
24 0.848 0.611 0.940 124.5 37.2 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_1_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 2262060'
loop_
_audit_author_name
_audit_author_address
'Xuejuan Zou'
;Anhui University
China
;
_audit_update_record             
;
2023-05-10 deposited with the CCDC.	2023-08-08 downloaded from the CCDC.
;
_audit_creation_date             2023-05-10
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C120 H80 Ag11 Au5 Cl16 O2 P4 S8'
_chemical_formula_sum            'C120 H80 Ag11.27 Au4.73 Cl16 O2 P4 S8'
_chemical_formula_weight         4648.91
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -4.4197 7.2980 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           68
_space_group_name_H-M_alt        'C c c e'
_space_group_name_Hall           '-C 2b 2bc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z'
'-x, y, -z+1/2'
'x+1/2, -y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1, -y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'x+1, -y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, y, -z'
'x, -y, z-1/2'
'-x-1/2, y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x, y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
'-x, y+1/2, z-1/2'

_cell_length_a                   23.4047(7)
_cell_length_b                   56.3203(16)
_cell_length_c                   46.1622(18)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     60849(3)
_cell_formula_units_Z            16
_cell_measurement_reflns_used    59041
_cell_measurement_temperature    120
_cell_measurement_theta_max      69.71
_cell_measurement_theta_min      4.81
_shelx_estimated_absorpt_T_max   0.645
_shelx_estimated_absorpt_T_min   0.123
_exptl_absorpt_coefficient_mu    24.022
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.4354
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
STOE LANA, absorption correction by scaling of reflection intensities.
J. Koziskova, F. Hahn, J. Richter, J. Kozisek, "Comparison of different
absorption corrections on the model structure of tetrakis(μ₂-acetato)-
diaqua-di-copper(II)", Acta Chimica Slovaca, vol. 9, no. 2, 2016, pp. 136 - 140.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            violet
_exptl_crystal_colour_primary    violet
_exptl_crystal_density_diffrn    2.030
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             34871
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-1 3 30 0.1309
27 -30 -29 0.1655
-7 30 -6 0.2059
-25 -30 18 0.1790
13 -1 15 0.1742
-11 30 10 0.2132
-4 -5 -30 0.1335
11 30 15 0.2181
-28 -3 -30 0.1956
6 -30 25 0.2166
11 15 -12 0.1967
13 -15 8 0.1800
-8 -15 -2 0.1930
-1 7 -15 0.1754
22 30 9 0.1961
-11 30 -9 0.2159

_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.087
_exptl_crystal_size_min          0.02
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1084
_diffrn_reflns_av_unetI/netI     0.1119
_diffrn_reflns_Laue_measured_fraction_full 0.988
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       49
_diffrn_reflns_limit_k_min       -64
_diffrn_reflns_limit_l_max       53
_diffrn_reflns_limit_l_min       -49
_diffrn_reflns_number            74458
_diffrn_reflns_point_group_measured_fraction_full 0.988
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_theta_full        62.500
_diffrn_reflns_theta_max         62.500
_diffrn_reflns_theta_min         3.526
_diffrn_ambient_temperature      120
_diffrn_detector                 Pilatus300K
_diffrn_detector_area_resol_mean 5.81
_diffrn_detector_type            'DECTRIS PILATUS 300K'
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_details      '2201 frames, detector distance = 60 mm'
_diffrn_measurement_device       'Eulerian 4-circle diffractometer'
_diffrn_measurement_device_type  'STOE STADIVARI'
_diffrn_measurement_method       'rotation method, ω scans'
_diffrn_radiation_collimation    '1.2 mm, 0.6 diameter'
_diffrn_radiation_monochromator  'Graded multilayer mirror'
_diffrn_radiation_polarisn_norm  270
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54186
_diffrn_source                   'GeniX 3D HF Cu'
_diffrn_source_current           0.600
_diffrn_source_power             0.030
_diffrn_source_voltage           50
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                12811
_reflns_number_total             23986
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'X-Area Recipe 1.33.0.0 (STOE, 2015)'
_computing_data_collection       'X-Area Pilatus3_SV 1.31.153.0 (STOE, 2018)'
_computing_data_reduction        
;
X-Area Integrate 1.74.2.0 (STOE, 2018)
X-Area LANA 1.75.3.0 (STOE, 2018)
;
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         2.269
_refine_diff_density_min         -1.944
_refine_diff_density_rms         0.297
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1256
_refine_ls_number_reflns         23986
_refine_ls_number_restraints     1440
_refine_ls_R_factor_all          0.1605
_refine_ls_R_factor_gt           0.1193
_refine_ls_restrained_S_all      1.013
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3143
_refine_ls_wR_factor_ref         0.3458
_refine_special_details          ?
_olex2_refinement_description    
;
1. Shared sites
{Ag1, Au2}
2. Uiso/Uaniso restraints and constraints
C01I \\sim C01O \\sim C02J \\sim C01X \\sim C03U \\sim C02P \\sim C01K \\sim
C02N \\sim C029 \\sim C033 \\sim C035 \\sim C022 \\sim C01L \\sim C03G \\sim
C042 \\sim C030 \\sim C02H \\sim C01J \\sim C01N \\sim C01M \\sim C03M \\sim
C04T \\sim C045 \\sim C021 \\sim C01R \\sim C036 \\sim C04C \\sim C02M \\sim
C03V \\sim C02D \\sim C01W \\sim C04A \\sim C031 \\sim C03O \\sim C02Y \\sim
C01V \\sim C01Z \\sim C04D \\sim C02Z \\sim C02L \\sim C037 \\sim C01Q \\sim
C028 \\sim C049 \\sim C026 \\sim C03H \\sim C025 \\sim C024 \\sim C02B \\sim
C040 \\sim C03N \\sim C04B \\sim C02W \\sim C03S \\sim C02K \\sim C04R \\sim
C04O \\sim C04P \\sim C02I \\sim C020 \\sim C02O \\sim C01U \\sim C03Q \\sim
C02S \\sim C027 \\sim C02T \\sim C02Q \\sim C02E \\sim C01T \\sim C04U \\sim
C71 \\sim C04M \\sim C02U \\sim C02C \\sim C03D \\sim C02V \\sim C023 \\sim
C02X \\sim C034 \\sim C04K \\sim C03J \\sim C03W \\sim C04E \\sim C03C \\sim
C03A \\sim C03R \\sim C02G \\sim C04H \\sim C046 \\sim C041 \\sim C03B \\sim
C03Z \\sim C04G \\sim C04Q \\sim C03K \\sim C02R \\sim C03P \\sim C01S \\sim
C032 \\sim C62 \\sim C04L \\sim C04I \\sim C03T \\sim C47 \\sim C29 \\sim C044
\\sim C03F \\sim C039 \\sim C047 \\sim C49 \\sim C15 \\sim C25 \\sim C80 \\sim
C26 \\sim C048 \\sim C03Y \\sim C03E \\sim C03L \\sim C45 \\sim C04J: within 2A
with sigma of 0.01 and sigma for terminal atoms of 0.02 within 2A
Uanis(C01I) \\sim Ueq, Uanis(C01O) \\sim Ueq, Uanis(C02J) \\sim Ueq,
Uanis(C01X) \\sim Ueq, Uanis(C03U) \\sim Ueq, Uanis(C02P) \\sim Ueq,
Uanis(C01K) \\sim Ueq, Uanis(C02N) \\sim Ueq, Uanis(C029) \\sim Ueq,
Uanis(C033) \\sim Ueq, Uanis(C035) \\sim Ueq, Uanis(C022) \\sim Ueq,
Uanis(C01L) \\sim Ueq, Uanis(C03G) \\sim Ueq, Uanis(C042) \\sim Ueq,
Uanis(C030) \\sim Ueq, Uanis(C02H) \\sim Ueq, Uanis(C01J) \\sim Ueq,
Uanis(C01N) \\sim Ueq, Uanis(C01M) \\sim Ueq, Uanis(C03M) \\sim Ueq,
Uanis(C04T) \\sim Ueq, Uanis(C045) \\sim Ueq, Uanis(C021) \\sim Ueq,
Uanis(C01R) \\sim Ueq, Uanis(C036) \\sim Ueq, Uanis(C04C) \\sim Ueq,
Uanis(C02M) \\sim Ueq, Uanis(C03V) \\sim Ueq, Uanis(C02D) \\sim Ueq,
Uanis(C01W) \\sim Ueq, Uanis(C04A) \\sim Ueq, Uanis(C031) \\sim Ueq,
Uanis(C03O) \\sim Ueq, Uanis(C02Y) \\sim Ueq, Uanis(C01V) \\sim Ueq,
Uanis(C01Z) \\sim Ueq, Uanis(C04D) \\sim Ueq, Uanis(C02Z) \\sim Ueq,
Uanis(C02L) \\sim Ueq, Uanis(C037) \\sim Ueq, Uanis(C01Q) \\sim Ueq,
Uanis(C028) \\sim Ueq, Uanis(C049) \\sim Ueq, Uanis(C026) \\sim Ueq,
Uanis(C03H) \\sim Ueq, Uanis(C025) \\sim Ueq, Uanis(C024) \\sim Ueq,
Uanis(C02B) \\sim Ueq, Uanis(C040) \\sim Ueq, Uanis(C03N) \\sim Ueq,
Uanis(C04B) \\sim Ueq, Uanis(C02W) \\sim Ueq, Uanis(C03S) \\sim Ueq,
Uanis(C02K) \\sim Ueq, Uanis(C04R) \\sim Ueq, Uanis(C04O) \\sim Ueq,
Uanis(C04P) \\sim Ueq, Uanis(C02I) \\sim Ueq, Uanis(C020) \\sim Ueq,
Uanis(C02O) \\sim Ueq, Uanis(C01U) \\sim Ueq, Uanis(C03Q) \\sim Ueq,
Uanis(C02S) \\sim Ueq, Uanis(C027) \\sim Ueq, Uanis(C02T) \\sim Ueq,
Uanis(C02Q) \\sim Ueq, Uanis(C02E) \\sim Ueq, Uanis(C01T) \\sim Ueq,
Uanis(C04U) \\sim Ueq, Uanis(C71) \\sim Ueq, Uanis(C04M) \\sim Ueq, Uanis(C02U)
\\sim Ueq, Uanis(C02C) \\sim Ueq, Uanis(C03D) \\sim Ueq, Uanis(C02V) \\sim Ueq,
Uanis(C023) \\sim Ueq, Uanis(C02X) \\sim Ueq, Uanis(C034) \\sim Ueq,
Uanis(C04K) \\sim Ueq, Uanis(C03J) \\sim Ueq, Uanis(C03W) \\sim Ueq,
Uanis(C04E) \\sim Ueq, Uanis(C03C) \\sim Ueq, Uanis(C03A) \\sim Ueq,
Uanis(C03R) \\sim Ueq, Uanis(C02G) \\sim Ueq, Uanis(C04H) \\sim Ueq,
Uanis(C046) \\sim Ueq, Uanis(C041) \\sim Ueq, Uanis(C03B) \\sim Ueq,
Uanis(C03Z) \\sim Ueq, Uanis(C04G) \\sim Ueq, Uanis(C04Q) \\sim Ueq,
Uanis(C03K) \\sim Ueq, Uanis(C02R) \\sim Ueq, Uanis(C03P) \\sim Ueq,
Uanis(C01S) \\sim Ueq, Uanis(C032) \\sim Ueq, Uanis(C62) \\sim Ueq, Uanis(C04L)
\\sim Ueq, Uanis(C04I) \\sim Ueq, Uanis(C03T) \\sim Ueq, Uanis(C47) \\sim Ueq,
Uanis(C29) \\sim Ueq, Uanis(C044) \\sim Ueq, Uanis(C03F) \\sim Ueq, Uanis(C039)
\\sim Ueq, Uanis(C047) \\sim Ueq, Uanis(C49) \\sim Ueq, Uanis(C15) \\sim Ueq,
Uanis(C25) \\sim Ueq, Uanis(C80) \\sim Ueq, Uanis(C26) \\sim Ueq, Uanis(C048)
\\sim Ueq, Uanis(C03Y) \\sim Ueq, Uanis(C03E) \\sim Ueq, Uanis(C03L) \\sim Ueq,
Uanis(C45) \\sim Ueq, Uanis(C04J) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(Ag1) = Uanis(Au2)
3. Others
 Sof(Au2)=1-FVAR(1)
 Sof(Ag1)=FVAR(1)
4.a Aromatic/amide H refined with riding coordinates:
 C01O(H01O), C02J(H02J), C01X(H01X), C03U(H03U), C02P(H02P), C029(H029),
 C033(H033), C035(H035), C022(H022), C03G(H03G), C042(H042), C030(H030),
 C02H(H02H), C03M(H03M), C04T(H04T), C045(H045), C036(H036), C04C(H04C),
 C02M(H02M), C03V(H03V), C02D(H02D), C04A(H04A), C031(H031), C03O(H03O),
 C02Y(H02Y), C01V(H01V), C04D(H04D), C02Z(H02Z), C02L(H02L), C037(H037),
 C01Q(H01Q), C026(H026), C03H(H03H), C025(H025), C03N(H03N), C04B(H04B),
 C02W(H02W), C04R(H04R), C04O(H04O), C04P(H04P), C02I(H02I), C020(H020),
 C03Q(H03Q), C02S(H02S), C027(H027), C01T(H01T), C04U(H04U), C71(H71),
 C04M(H04M), C02V(H02V), C023(H023), C02X(H02X), C03J(H03J), C03W(H03W),
 C04E(H04E), C03R(H03R), C02G(H02G), C04H(H04H), C046(H046), C041(H041),
 C04G(H04G), C04Q(H04Q), C03K(H03K), C01S(H01S), C032(H032), C62(H62),
 C04L(H04L), C04I(H04I), C47(H47), C29(H29), C044(H044), C03F(H03F), C039(H039),
  C49(H49), C15(H15), C25(H25), C80(H80), C03E(H03E), C03L(H03L), C45(H45)
4.b Fitted hexagon refined as free rotating group:
 C01I(C01O,C02J,C01X,C03U,C02P), C01K(C02N,C029,C033,C035,C022), C01L(C03G,
 C042,C030,C02H,C01J), C01N(C01M,C03M,C04T,C045,C021), C01R(C036,C04C,C02M,C03V,
 C02D), C01W(C04A,C031,C03O,C02Y,C01V), C01Z(C04D,C02Z,C02L,C037,C01Q),
 C028(C049,C026,C03H,C025,C024), C02B(C040,C03N,C04B,C02W,C03S), C02K(C04R,C04O,
 C04P,C02I,C020), C02O(C01U,C03Q,C02S,C027,C02T), C02Q(C02E,C01T,C04U,C71,C04M),
  C02U(C02C,C03D,C02V,C023,C02X), C034(C04K,C03J,C03W,C04E,C03C), C03A(C03R,
 C02G,C04H,C046,C041), C03B(C03Z,C04G,C04Q,C03K,C02R), C03P(C01S,C032,C62,C04L,
 C04I), C03T(C47,C29,C044,C03F,C039), C047(C49,C15,C25,C80,C26), C048(C03Y,C03E,
 C03L,C45,C04J)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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
Au01 Au 0.72022(5) 0.63722(2) 0.38867(2) 0.0746(3) Uani 1 1 d . . . . .
Au02 Au 0.61216(5) 0.62070(2) 0.39395(3) 0.0783(3) Uani 1 1 d . . . . .
Au03 Au 0.78693(5) 0.61501(2) 0.34913(3) 0.0874(4) Uani 1 1 d . . . . .
Ag1 Ag 0.82749(6) 0.65492(3) 0.38275(3) 0.0895(7) Uani 0.292(14) 1 d . . P A 3
Ag06 Ag 0.69255(9) 0.60985(3) 0.43823(4) 0.0785(5) Uani 1 1 d . . . . .
Ag07 Ag 0.63443(9) 0.66602(4) 0.36559(5) 0.0811(5) Uani 1 1 d . . . . .
Ag08 Ag 0.70694(9) 0.58774(4) 0.38287(4) 0.0814(5) Uani 1 1 d . . . . .
Ag09 Ag 0.66450(9) 0.62179(4) 0.33695(4) 0.0797(5) Uani 1 1 d . . . . .
Ag0A Ag 0.80673(9) 0.60787(4) 0.41060(5) 0.0828(5) Uani 1 1 d . . . . .
Ag0B Ag 0.77448(9) 0.65135(4) 0.43956(5) 0.0822(5) Uani 1 1 d . . . . .
Ag0C Ag 0.73410(9) 0.68704(4) 0.39430(5) 0.0846(5) Uani 1 1 d . . . . .
Ag0D Ag 0.74284(9) 0.66109(4) 0.33614(5) 0.0859(6) Uani 1 1 d . . . . .
Ag0E Ag 0.79709(11) 0.60423(4) 0.47581(5) 0.0928(6) Uani 1 1 d . . . . .
Ag0F Ag 0.65397(12) 0.56928(4) 0.32802(5) 0.0979(7) Uani 1 1 d . . . . .
Ag0G Ag 0.69023(11) 0.71022(4) 0.33904(5) 0.0943(6) Uani 1 1 d . . . . .
P00H P 0.5180(3) 0.60796(13) 0.39443(15) 0.0773(17) Uani 1 1 d . . . . .
P00I P 0.6008(3) 0.67698(13) 0.46671(17) 0.0845(19) Uani 1 1 d . . . . .
S00J S 0.5934(3) 0.69095(12) 0.32723(16) 0.0846(18) Uani 1 1 d . . . . .
S00K S 0.5846(3) 0.59844(14) 0.31468(17) 0.0913(19) Uani 1 1 d . . . . .
S00L S 0.8419(4) 0.57503(13) 0.44055(17) 0.0896(19) Uani 1 1 d . . . . .
S00M S 0.8339(3) 0.64512(12) 0.48438(18) 0.0874(19) Uani 1 1 d . . . . .
Cl15 Cl 0.8214(3) 0.62176(14) 0.54818(18) 0.096(2) Uani 1 1 d . . . . .
Cl2 Cl 0.7209(4) 0.54450(14) 0.42459(18) 0.098(2) Uani 1 1 d . . . . .
Cl6 Cl 0.8990(4) 0.53299(15) 0.4750(2) 0.110(3) Uani 1 1 d . . . . .
S00Q S 0.6945(4) 0.59712(14) 0.48911(18) 0.093(2) Uani 1 1 d . . . . .
S00R S 0.7291(4) 0.55110(13) 0.35544(17) 0.091(2) Uani 1 1 d . . . . .
Cl14 Cl 0.7738(4) 0.69610(15) 0.4765(2) 0.107(2) Uani 1 1 d . . . . .
Cl1 Cl 0.5788(4) 0.64792(14) 0.28180(19) 0.102(2) Uani 1 1 d . . . . .
Cl7 Cl 0.9306(4) 0.61647(15) 0.4172(2) 0.107(2) Uani 1 1 d . . . . .
Cl10 Cl 0.8239(4) 0.72372(15) 0.42230(19) 0.109(2) Uani 1 1 d . . . . .
P00W P 0.8448(4) 0.5950(2) 0.31646(19) 0.107(3) Uani 1 1 d . . . . .
Cl4 Cl 0.7872(4) 0.56419(15) 0.52279(19) 0.105(2) Uani 1 1 d . . . . .
S00Y S 0.7080(4) 0.73047(15) 0.38580(19) 0.100(2) Uani 1 1 d . . . . .
S00Z S 0.7623(4) 0.69317(18) 0.30135(17) 0.102(2) Uani 1 1 d . . . . .
Cl5 Cl 0.5860(4) 0.56903(17) 0.4630(2) 0.107(2) Uani 1 1 d . . . . .
Cl9 Cl 0.6777(4) 0.73622(14) 0.2845(2) 0.110(3) Uani 1 1 d . . . . .
Cl Cl 0.5756(4) 0.55152(15) 0.2746(2) 0.112(3) Uani 1 1 d . . . . .
Cl3 Cl 0.6662(5) 0.51058(17) 0.3180(2) 0.122(3) Uani 1 1 d . . . . .
Cl8 Cl 0.7526(5) 0.6459(2) 0.2616(2) 0.128(3) Uani 1 1 d . . . . .
P015 P 0.9172(4) 0.6731(2) 0.3749(2) 0.112(3) Uani 1 1 d . . . . .
Cl11 Cl 0.7051(5) 0.77537(19) 0.3429(3) 0.141(4) Uani 1 1 d . . . . .
Cl13 Cl 0.5661(5) 0.6995(2) 0.3959(2) 0.144(4) Uani 1 1 d . . . . .
Cl12 Cl 0.5095(5) 0.7145(2) 0.2841(2) 0.142(4) Uani 1 1 d . . . . .
O01B O 0.5192(8) 0.6423(3) 0.4421(5) 0.090(5) Uani 1 1 d . . . . .
O01H O 0.9122(9) 0.6398(5) 0.3286(7) 0.145(12) Uani 1 1 d . . . . .
C01I C 0.4672(7) 0.6276(4) 0.3764(4) 0.089(5) Uani 1 1 d G U . . .
C01O C 0.4867(6) 0.6425(4) 0.3545(4) 0.093(5) Uani 1 1 d G U . . .
H01O H 0.525374 0.642835 0.349936 0.112 Uiso 1 1 calc R U . . .
C02J C 0.4484(8) 0.6568(4) 0.3395(4) 0.098(5) Uani 1 1 d G U . . .
H02J H 0.461477 0.666723 0.324899 0.118 Uiso 1 1 calc R U . . .
C01X C 0.3906(7) 0.6562(4) 0.3464(4) 0.099(5) Uani 1 1 d G U . . .
H01X H 0.365007 0.665771 0.336393 0.118 Uiso 1 1 calc R U . . .
C03U C 0.3711(6) 0.6413(4) 0.3683(4) 0.096(5) Uani 1 1 d G U . . .
H03U H 0.332433 0.640931 0.372926 0.116 Uiso 1 1 calc R U . . .
C02P C 0.4094(8) 0.6270(4) 0.3833(4) 0.093(5) Uani 1 1 d G U . . .
H02P H 0.396330 0.617043 0.397963 0.111 Uiso 1 1 calc R U . . .
C01K C 0.4858(8) 0.6042(4) 0.4306(3) 0.085(5) Uani 1 1 d G U . . .
C02N C 0.4869(8) 0.6226(3) 0.4506(4) 0.087(5) Uani 1 1 d G U . . .
C029 C 0.4625(8) 0.6196(3) 0.4778(4) 0.087(5) Uani 1 1 d G U . . .
H029 H 0.463228 0.631965 0.491210 0.105 Uiso 1 1 calc R U . . .
C033 C 0.4368(8) 0.5982(4) 0.4850(3) 0.089(5) Uani 1 1 d G U . . .
H033 H 0.420428 0.596134 0.503203 0.107 Uiso 1 1 calc R U . . .
C035 C 0.4357(8) 0.5797(3) 0.4650(4) 0.091(5) Uani 1 1 d G U . . .
H035 H 0.418498 0.565348 0.469825 0.109 Uiso 1 1 calc R U . . .
C022 C 0.4601(8) 0.5827(3) 0.4378(4) 0.087(5) Uani 1 1 d G U . . .
H022 H 0.459369 0.570393 0.424454 0.105 Uiso 1 1 calc R U . . .
C01L C 0.5276(6) 0.6832(4) 0.4588(5) 0.093(5) Uani 1 1 d G U . . .
C03G C 0.5030(8) 0.7054(3) 0.4633(4) 0.098(5) Uani 1 1 d G U . . .
H03G H 0.525138 0.717831 0.470304 0.117 Uiso 1 1 calc R U . . .
C042 C 0.4454(8) 0.7089(3) 0.4573(5) 0.100(5) Uani 1 1 d G U . . .
H042 H 0.429022 0.723726 0.460341 0.120 Uiso 1 1 calc R U . . .
C030 C 0.4124(6) 0.6903(4) 0.4469(5) 0.099(5) Uani 1 1 d G U . . .
H030 H 0.373884 0.692617 0.442914 0.118 Uiso 1 1 calc R U . . .
C02H C 0.4370(8) 0.6681(3) 0.4424(5) 0.098(5) Uani 1 1 d G U . . .
H02H H 0.414863 0.655611 0.435450 0.117 Uiso 1 1 calc R U . . .
C01J C 0.4946(8) 0.6645(3) 0.4484(5) 0.093(5) Uani 1 1 d G U . . .
C01N C 0.6867(8) 0.5656(3) 0.4930(5) 0.090(5) Uani 1 1 d G U . . .
C01M C 0.6372(7) 0.5548(4) 0.4828(4) 0.091(5) Uani 1 1 d G U . . .
C03M C 0.6268(7) 0.5310(4) 0.4889(5) 0.097(5) Uani 1 1 d G U . . .
H03M H 0.593715 0.523787 0.482094 0.117 Uiso 1 1 calc R U . . .
C04T C 0.6659(9) 0.5180(3) 0.5052(5) 0.105(5) Uani 1 1 d G U . . .
H04T H 0.658908 0.502131 0.509209 0.126 Uiso 1 1 calc R U . . .
C045 C 0.7153(8) 0.5289(4) 0.5153(4) 0.104(5) Uani 1 1 d G U . . .
H045 H 0.741471 0.520175 0.526207 0.124 Uiso 1 1 calc R U . . .
C021 C 0.7257(7) 0.5526(4) 0.5093(5) 0.096(5) Uani 1 1 d G U . . .
C01R C 0.6268(8) 0.7065(3) 0.4771(4) 0.091(5) Uani 1 1 d G U . . .
C036 C 0.6498(8) 0.7215(4) 0.4562(3) 0.093(5) Uani 1 1 d G U . . .
H036 H 0.653553 0.716345 0.437166 0.112 Uiso 1 1 calc R U . . .
C04C C 0.6674(8) 0.7443(3) 0.4638(4) 0.098(5) Uani 1 1 d G U . . .
H04C H 0.682820 0.754308 0.449833 0.118 Uiso 1 1 calc R U . . .
C02M C 0.6618(8) 0.7520(3) 0.4922(4) 0.097(5) Uani 1 1 d G U . . .
H02M H 0.673558 0.767247 0.497315 0.116 Uiso 1 1 calc R U . . .
C03V C 0.6387(9) 0.7370(4) 0.5131(3) 0.100(5) Uani 1 1 d G U . . .
H03V H 0.635030 0.742223 0.532130 0.120 Uiso 1 1 calc R U . . .
C02D C 0.6212(8) 0.7143(3) 0.5055(4) 0.097(5) Uani 1 1 d G U . . .
H02D H 0.605762 0.704261 0.519464 0.116 Uiso 1 1 calc R U . . .
C01W C 0.6001(8) 0.6602(4) 0.5003(3) 0.087(5) Uani 1 1 d G U . . .
C04A C 0.5525(6) 0.6612(4) 0.5183(4) 0.091(5) Uani 1 1 d G U . . .
H04A H 0.519481 0.668887 0.512028 0.109 Uiso 1 1 calc R U . . .
C031 C 0.5541(7) 0.6507(4) 0.5455(4) 0.094(5) Uani 1 1 d G U . . .
H031 H 0.522179 0.651366 0.557493 0.113 Uiso 1 1 calc R U . . .
C03O C 0.6033(8) 0.6393(4) 0.5548(3) 0.092(5) Uani 1 1 d G U . . .
H03O H 0.604426 0.632228 0.573038 0.111 Uiso 1 1 calc R U . . .
C02Y C 0.6510(6) 0.6383(4) 0.5369(4) 0.089(5) Uani 1 1 d G U . . .
H02Y H 0.683976 0.630609 0.543118 0.107 Uiso 1 1 calc R U . . .
C01V C 0.6494(6) 0.6488(4) 0.5096(4) 0.086(5) Uani 1 1 d G U . . .
H01V H 0.681280 0.648129 0.497654 0.104 Uiso 1 1 calc R U . . .
C01Z C 0.5100(10) 0.5785(3) 0.3769(5) 0.102(5) Uani 1 1 d G U . . .
C04D C 0.4644(9) 0.5733(4) 0.3586(5) 0.108(5) Uani 1 1 d G U . . .
H04D H 0.437355 0.584944 0.354501 0.129 Uiso 1 1 calc R U . . .
C02Z C 0.4593(8) 0.5508(4) 0.3466(4) 0.111(6) Uani 1 1 d G U . . .
H02Z H 0.428815 0.547377 0.334344 0.133 Uiso 1 1 calc R U . . .
C02L C 0.4997(10) 0.5335(3) 0.3527(5) 0.109(6) Uani 1 1 d G U . . .
H02L H 0.496325 0.518423 0.344660 0.131 Uiso 1 1 calc R U . . .
C037 C 0.5453(9) 0.5386(4) 0.3710(5) 0.107(5) Uani 1 1 d G U . . .
H037 H 0.572377 0.527038 0.375132 0.129 Uiso 1 1 calc R U . . .
C01Q C 0.5504(8) 0.5612(4) 0.3831(4) 0.102(5) Uani 1 1 d G U . . .
H01Q H 0.580919 0.564605 0.395289 0.123 Uiso 1 1 calc R U . . .
C028 C 0.5806(8) 0.6007(4) 0.2762(3) 0.095(5) Uani 1 1 d G U . . .
C049 C 0.5755(9) 0.5798(3) 0.2602(4) 0.098(5) Uani 1 1 d G U . . .
C026 C 0.5662(9) 0.5809(3) 0.2305(4) 0.102(5) Uani 1 1 d G U . . .
H026 H 0.562704 0.566977 0.219860 0.123 Uiso 1 1 calc R U . . .
C03H C 0.5621(9) 0.6028(4) 0.2168(3) 0.102(5) Uani 1 1 d G U . . .
H03H H 0.555848 0.603508 0.196897 0.122 Uiso 1 1 calc R U . . .
C025 C 0.5672(9) 0.6236(3) 0.2327(4) 0.096(5) Uani 1 1 d G U . . .
H025 H 0.564490 0.638258 0.223526 0.115 Uiso 1 1 calc R U . . .
C024 C 0.5765(8) 0.6225(3) 0.2624(4) 0.094(5) Uani 1 1 d G U . . .
C02B C 0.7992(8) 0.6596(4) 0.5146(4) 0.091(5) Uani 1 1 d G U . . .
C040 C 0.7753(9) 0.6819(4) 0.5097(3) 0.094(5) Uani 1 1 d G U . . .
C03N C 0.7514(8) 0.6945(3) 0.5326(4) 0.096(5) Uani 1 1 d G U . . .
H03N H 0.735375 0.709351 0.529404 0.116 Uiso 1 1 calc R U . . .
C04B C 0.7514(8) 0.6848(4) 0.5603(4) 0.098(5) Uani 1 1 d G U . . .
H04B H 0.735405 0.693238 0.575657 0.118 Uiso 1 1 calc R U . . .
C02W C 0.7753(8) 0.6626(4) 0.5652(3) 0.094(5) Uani 1 1 d G U . . .
H02W H 0.775356 0.656121 0.583708 0.113 Uiso 1 1 calc R U . . .
C03S C 0.7993(8) 0.6500(3) 0.5423(4) 0.091(5) Uani 1 1 d G U . . .
C02K C 0.9403(10) 0.6884(4) 0.4074(4) 0.112(6) Uani 1 1 d G U . . .
C04R C 0.9788(10) 0.7072(5) 0.4061(4) 0.118(6) Uani 1 1 d G U . . .
H04R H 0.994152 0.711783 0.388403 0.141 Uiso 1 1 calc R U . . .
C04O C 0.9945(9) 0.7191(4) 0.4313(6) 0.119(6) Uani 1 1 d G U . . .
H04O H 1.020235 0.731613 0.430422 0.143 Uiso 1 1 calc R U . . .
C04P C 0.9716(10) 0.7122(4) 0.4578(4) 0.118(6) Uani 1 1 d G U . . .
H04P H 0.982022 0.720142 0.474633 0.142 Uiso 1 1 calc R U . . .
C02I C 0.9330(10) 0.6934(5) 0.4591(4) 0.112(6) Uani 1 1 d G U . . .
H02I H 0.917726 0.688842 0.476825 0.135 Uiso 1 1 calc R U . . .
C020 C 0.9174(9) 0.6816(4) 0.4339(5) 0.110(6) Uani 1 1 d G U . . .
H020 H 0.891643 0.669012 0.434806 0.133 Uiso 1 1 calc R U . . .
C02O C 0.9173(6) 0.5744(4) 0.4462(5) 0.099(5) Uani 1 1 d G U . . .
C01U C 0.9397(8) 0.5551(4) 0.4610(5) 0.103(5) Uani 1 1 d G U . . .
C03Q C 0.9982(9) 0.5536(4) 0.4660(5) 0.106(5) Uani 1 1 d G U . . .
H03Q H 1.013162 0.540635 0.475924 0.127 Uiso 1 1 calc R U . . .
C02S C 1.0343(6) 0.5714(4) 0.4561(5) 0.106(5) Uani 1 1 d G U . . .
H02S H 1.073395 0.570422 0.459418 0.128 Uiso 1 1 calc R U . . .
C027 C 1.0119(8) 0.5908(4) 0.4412(5) 0.105(5) Uani 1 1 d G U . . .
H027 H 1.036046 0.602718 0.434624 0.126 Uiso 1 1 calc R U . . .
C02T C 0.9534(9) 0.5923(4) 0.4363(5) 0.101(5) Uani 1 1 d G U . . .
C02Q C 0.9661(8) 0.6381(5) 0.3398(5) 0.111(6) Uani 1 1 d G U . . .
C02E C 0.9735(8) 0.6542(4) 0.3622(5) 0.111(6) Uani 1 1 d G U . . .
C01T C 1.0269(10) 0.6569(4) 0.3750(5) 0.114(6) Uani 1 1 d G U . . .
H01T H 1.031790 0.667760 0.390001 0.137 Uiso 1 1 calc R U . . .
C04U C 1.0729(8) 0.6435(5) 0.3653(5) 0.119(6) Uani 1 1 d G U . . .
H04U H 1.108584 0.645316 0.373874 0.143 Uiso 1 1 calc R U . . .
C71 C 1.0655(9) 0.6273(5) 0.3429(6) 0.120(6) Uani 1 1 d G U . . .
H71 H 1.096292 0.618331 0.336417 0.143 Uiso 1 1 calc R U . . .
C04M C 1.0121(10) 0.6246(4) 0.3301(5) 0.119(6) Uani 1 1 d G U . . .
H04M H 1.007206 0.613790 0.315086 0.142 Uiso 1 1 calc R U . . .
C02U C 0.6771(8) 0.7098(3) 0.2658(4) 0.092(5) Uani 1 1 d G U . . .
C02C C 0.7130(7) 0.6909(4) 0.2721(4) 0.092(5) Uani 1 1 d G U . . .
C03D C 0.7125(7) 0.6708(3) 0.2546(4) 0.093(5) Uani 1 1 d G U . . .
C02V C 0.6761(8) 0.6696(3) 0.2309(4) 0.090(5) Uani 1 1 d G U . . .
H02V H 0.675831 0.656164 0.219205 0.108 Uiso 1 1 calc R U . . .
C023 C 0.6402(7) 0.6886(4) 0.2246(3) 0.089(5) Uani 1 1 d G U . . .
H023 H 0.615883 0.687815 0.208679 0.106 Uiso 1 1 calc R U . . .
C02X C 0.6407(7) 0.7087(3) 0.2420(4) 0.089(5) Uani 1 1 d G U . . .
H02X H 0.616648 0.721379 0.237813 0.107 Uiso 1 1 calc R U . . .
C034 C 0.7674(8) 0.7505(4) 0.3818(5) 0.107(6) Uani 1 1 d G U . . .
C04K C 0.8165(10) 0.7468(4) 0.3981(5) 0.109(6) Uani 1 1 d G U . . .
C03J C 0.8611(8) 0.7630(5) 0.3970(5) 0.113(6) Uani 1 1 d G U . . .
H03J H 0.893983 0.760462 0.407873 0.135 Uiso 1 1 calc R U . . .
C03W C 0.8567(8) 0.7830(4) 0.3795(5) 0.114(6) Uani 1 1 d G U . . .
H03W H 0.886621 0.793879 0.378724 0.137 Uiso 1 1 calc R U . . .
C04E C 0.8076(10) 0.7868(4) 0.3632(5) 0.112(6) Uani 1 1 d G U . . .
H04E H 0.804694 0.800200 0.351505 0.134 Uiso 1 1 calc R U . . .
C03C C 0.7630(8) 0.7706(5) 0.3643(5) 0.109(6) Uani 1 1 d G U . . .
C03A C 0.8011(8) 0.5739(4) 0.2959(4) 0.101(5) Uani 1 1 d G U . . .
C03R C 0.7525(9) 0.5833(3) 0.2829(5) 0.098(5) Uani 1 1 d G U . . .
H03R H 0.741990 0.598911 0.286539 0.118 Uiso 1 1 calc R U . . .
C02G C 0.7197(7) 0.5693(4) 0.2645(4) 0.101(5) Uani 1 1 d G U . . .
H02G H 0.687184 0.575591 0.255812 0.121 Uiso 1 1 calc R U . . .
C04H C 0.7354(9) 0.5459(4) 0.2591(4) 0.110(5) Uani 1 1 d G U . . .
H04H H 0.713407 0.536561 0.246779 0.132 Uiso 1 1 calc R U . . .
C046 C 0.7839(10) 0.5365(3) 0.2721(5) 0.110(5) Uani 1 1 d G U . . .
H046 H 0.794437 0.520852 0.268474 0.132 Uiso 1 1 calc R U . . .
C041 C 0.8168(8) 0.5505(4) 0.2905(5) 0.105(5) Uani 1 1 d G U . . .
H041 H 0.849244 0.544172 0.299201 0.127 Uiso 1 1 calc R U . . .
C03B C 0.6959(8) 0.5253(3) 0.3720(4) 0.091(5) Uani 1 1 d G U . . .
C03Z C 0.6956(8) 0.5227(3) 0.4019(4) 0.095(5) Uani 1 1 d G U . . .
C04G C 0.6726(9) 0.5024(4) 0.4144(3) 0.097(5) Uani 1 1 d G U . . .
H04G H 0.672390 0.500637 0.434425 0.117 Uiso 1 1 calc R U . . .
C04Q C 0.6498(8) 0.4847(3) 0.3969(4) 0.100(5) Uani 1 1 d G U . . .
H04Q H 0.634379 0.471059 0.405235 0.120 Uiso 1 1 calc R U . . .
C03K C 0.6501(8) 0.4873(3) 0.3670(4) 0.098(5) Uani 1 1 d G U . . .
H03K H 0.634843 0.475405 0.355259 0.117 Uiso 1 1 calc R U . . .
C02R C 0.6731(9) 0.5076(4) 0.3545(3) 0.096(5) Uani 1 1 d G U . . .
C03P C 0.9061(9) 0.5782(5) 0.3304(5) 0.113(6) Uani 1 1 d G U . . .
C01S C 0.9092(9) 0.5729(5) 0.3598(5) 0.112(6) Uani 1 1 d G U . . .
H01S H 0.879572 0.577314 0.372064 0.134 Uiso 1 1 calc R U . . .
C032 C 0.9566(10) 0.5611(5) 0.3707(4) 0.116(6) Uani 1 1 d G U . . .
H032 H 0.958671 0.557543 0.390384 0.139 Uiso 1 1 calc R U . . .
C62 C 1.0009(9) 0.5545(5) 0.3523(5) 0.121(6) Uani 1 1 d G U . . .
H62 H 1.032631 0.546622 0.359691 0.146 Uiso 1 1 calc R U . . .
C04L C 0.9978(9) 0.5598(5) 0.3230(5) 0.123(6) Uani 1 1 d G U . . .
H04L H 1.027492 0.555470 0.310675 0.148 Uiso 1 1 calc R U . . .
C04I C 0.9505(11) 0.5717(5) 0.3120(4) 0.119(6) Uani 1 1 d G U . . .
H04I H 0.948393 0.575240 0.292354 0.143 Uiso 1 1 calc R U . . .
C03T C 0.9166(13) 0.6980(5) 0.3484(6) 0.133(7) Uani 1 1 d G U . . .
C47 C 0.9667(10) 0.7052(6) 0.3349(7) 0.142(7) Uani 1 1 d G U . . .
H47 H 1.000440 0.696849 0.337948 0.170 Uiso 1 1 calc R U . . .
C29 C 0.9664(10) 0.7250(6) 0.3168(6) 0.146(7) Uani 1 1 d G U . . .
H29 H 1.000000 0.729807 0.307801 0.175 Uiso 1 1 calc R U . . .
C044 C 0.9160(13) 0.7374(5) 0.3122(6) 0.139(7) Uani 1 1 d G U . . .
H044 H 0.915852 0.750658 0.300157 0.167 Uiso 1 1 calc R U . . .
C03F C 0.8659(10) 0.7302(5) 0.3257(7) 0.132(7) Uani 1 1 d G U . . .
H03F H 0.832144 0.738551 0.322660 0.158 Uiso 1 1 calc R U . . .
C039 C 0.8661(10) 0.7104(6) 0.3438(6) 0.129(7) Uani 1 1 d G U . . .
H039 H 0.832583 0.705593 0.352807 0.155 Uiso 1 1 calc R U . . .
C047 C 0.8777(12) 0.6143(5) 0.2899(6) 0.134(7) Uani 1 1 d G U . . .
C49 C 0.8760(12) 0.6099(5) 0.2603(7) 0.139(7) Uani 1 1 d G U . . .
H49 H 0.857728 0.596432 0.253277 0.166 Uiso 1 1 calc R U . . .
C15 C 0.9017(12) 0.6257(6) 0.2412(5) 0.140(7) Uani 1 1 d G U . . .
H15 H 0.900569 0.622780 0.221330 0.168 Uiso 1 1 calc R U . . .
C25 C 0.9290(12) 0.6459(5) 0.2516(6) 0.141(7) Uani 1 1 d G U . . .
H25 H 0.946206 0.656418 0.238826 0.170 Uiso 1 1 calc R U . . .
C80 C 0.9307(12) 0.6502(5) 0.2813(7) 0.140(7) Uani 1 1 d G U . . .
H80 H 0.949000 0.663709 0.288270 0.168 Uiso 1 1 calc R U . . .
C26 C 0.9050(13) 0.6344(6) 0.3004(5) 0.135(7) Uani 1 1 d G U . . .
C048 C 0.5324(8) 0.7075(4) 0.3398(5) 0.101(5) Uani 1 1 d G U . . .
C03Y C 0.4953(9) 0.7173(4) 0.3195(3) 0.103(5) Uani 1 1 d G U . . .
C03E C 0.4467(9) 0.7294(4) 0.3287(4) 0.106(5) Uani 1 1 d G U . . .
H03E H 0.421928 0.735914 0.315082 0.127 Uiso 1 1 calc R U . . .
C03L C 0.4352(8) 0.7317(4) 0.3581(5) 0.107(5) Uani 1 1 d G U . . .
H03L H 0.402677 0.739749 0.364160 0.128 Uiso 1 1 calc R U . . .
C45 C 0.4722(9) 0.7219(4) 0.3784(3) 0.105(5) Uani 1 1 d G U . . .
H45 H 0.464516 0.723441 0.398025 0.126 Uiso 1 1 calc R U . . .
C04J C 0.5208(8) 0.7098(4) 0.3692(4) 0.104(5) Uani 1 1 d G U . . .
Au1 Au 0.65471(6) 0.65959(2) 0.42920(3) 0.0914(4) Uani 1 1 d . . . B 1
Au2 Au 0.82749(6) 0.65492(3) 0.38275(3) 0.0895(7) Uani 0.708(14) 1 d . . P A 4


_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
Au01 Au02 2.7058(16) . ?
Au01 Au03 2.7082(17) . ?
Au01 Ag1 2.7150(18) . ?
Au01 Ag06 2.834(2) . ?
Au01 Ag07 2.792(2) . ?
Au01 Ag08 2.817(2) . ?
Au01 Ag0A 2.803(2) . ?
Au01 Ag0B 2.786(2) . ?
Au01 Ag0C 2.836(2) . ?
Au01 Ag0D 2.822(2) . ?
Au01 Au1 2.7272(18) . ?
Au01 Au2 2.7150(18) . ?
Au02 Ag06 2.845(2) . ?
Au02 Ag07 2.915(2) . ?
Au02 Ag08 2.937(2) . ?
Au02 Ag09 2.903(2) . ?
Au02 P00H 2.317(7) . ?
Au02 Au1 2.9046(18) . ?
Au03 Ag1 2.892(2) . ?
Au03 Ag08 2.879(3) . ?
Au03 Ag09 2.945(2) . ?
Au03 Ag0A 2.903(2) . ?
Au03 Ag0D 2.856(3) . ?
Au03 P00W 2.319(9) . ?
Au03 Au2 2.892(2) . ?
Ag1 Ag0A 2.985(3) . ?
Ag1 Ag0B 2.908(3) . ?
Ag1 Ag0C 2.887(3) . ?
Ag1 Ag0D 2.945(3) . ?
Ag1 P015 2.364(9) . ?
Ag06 Ag08 2.863(3) . ?
Ag06 Ag0A 2.963(3) . ?
Ag06 Ag0B 3.024(3) . ?
Ag06 Ag0E 3.016(3) . ?
Ag06 S00Q 2.456(8) . ?
Ag06 Au1 2.967(2) . ?
Ag07 Ag09 2.906(3) . ?
Ag07 Ag0C 2.933(3) . ?
Ag07 Ag0D 2.892(3) . ?
Ag07 Ag0G 3.067(3) . ?
Ag07 S00J 2.456(7) . ?
Ag07 Cl13 2.840(11) . ?
Ag07 Au1 2.996(3) . ?
Ag08 Ag09 3.026(3) . ?
Ag08 Ag0A 2.895(3) . ?
Ag08 Ag0F 3.005(3) . ?
Ag08 S00R 2.476(8) . ?
Ag09 Ag0D 2.874(3) . ?
Ag09 Ag0F 2.996(3) . ?
Ag09 S00K 2.507(8) . ?
Ag0A Ag0B 2.890(3) . ?
Ag0A Ag0E 3.025(3) . ?
Ag0A S00L 2.451(8) . ?
Ag0A Au2 2.985(3) . ?
Ag0B Ag0C 3.049(3) . ?
Ag0B Ag0E 3.181(3) . ?
Ag0B S00M 2.517(8) . ?
Ag0B Au1 2.881(3) . ?
Ag0B Au2 2.908(3) . ?
Ag0C Ag0D 3.064(3) . ?
Ag0C Ag0G 3.044(3) . ?
Ag0C S00Y 2.552(9) . ?
Ag0C Au1 2.905(3) . ?
Ag0C Au2 2.887(3) . ?
Ag0D Ag0G 3.032(3) . ?
Ag0D S00Z 2.460(8) . ?
Ag0D Au2 2.945(3) . ?
Ag0E S00L 2.541(8) . ?
Ag0E S00M 2.490(7) . ?
Ag0E S00Q 2.511(9) . ?
Ag0F S00K 2.390(8) . ?
Ag0F S00R 2.396(9) . ?
Ag0G S00J 2.571(8) . ?
Ag0G S00Y 2.476(9) . ?
Ag0G S00Z 2.607(10) . ?
Ag0G Cl9 2.926(8) . ?
P00H C01I 1.824(16) . ?
P00H C01K 1.847(14) . ?
P00H C01Z 1.856(18) . ?
P00I C01L 1.786(16) . ?
P00I C01R 1.835(17) . ?
P00I C01W 1.816(16) . ?
P00I Au1 2.356(8) . ?
S00J C048 1.804(17) . ?
S00K C028 1.783(16) . ?
S00L C02O 1.785(17) . ?
S00M C02B 1.808(16) . ?
Cl15 C03S 1.695(17) . ?
Cl2 C03Z 1.718(16) . ?
Cl6 C01U 1.695(18) . ?
S00Q C01N 1.793(18) . ?
S00R C03B 1.816(17) . ?
Cl14 C040 1.729(17) . ?
Cl1 C024 1.687(17) . ?
Cl7 C02T 1.708(18) . ?
Cl10 C04K 1.720(19) . ?
P00W C03A 1.83(2) . ?
P00W C03P 1.835(19) . ?
P00W C047 1.81(2) . ?
Cl4 C021 1.698(16) . ?
S00Y C034 1.801(19) . ?
S00Z C02C 1.781(15) . ?
Cl5 C01M 1.709(16) . ?
Cl9 C02U 1.719(17) . ?
Cl C049 1.728(18) . ?
Cl3 C02R 1.702(17) . ?
Cl8 C03D 1.717(17) . ?
P015 C02K 1.81(2) . ?
P015 C02E 1.79(2) . ?
P015 C03T 1.86(2) . ?
P015 Au2 2.364(9) . ?
Cl11 C03C 1.699(19) . ?
Cl13 C04J 1.726(18) . ?
Cl12 C03Y 1.679(19) . ?
O01B C02N 1.40(2) . ?
O01B C01J 1.41(2) . ?
O01H C02Q 1.37(3) . ?
O01H C26 1.35(4) . ?
C01I C01O 1.3900 . ?
C01I C02P 1.3900 . ?
C01O H01O 0.9300 . ?
C01O C02J 1.3900 . ?
C02J H02J 0.9300 . ?
C02J C01X 1.3900 . ?
C01X H01X 0.9300 . ?
C01X C03U 1.3900 . ?
C03U H03U 0.9300 . ?
C03U C02P 1.3900 . ?
C02P H02P 0.9300 . ?
C01K C02N 1.3900 . ?
C01K C022 1.3900 . ?
C02N C029 1.3900 . ?
C029 H029 0.9300 . ?
C029 C033 1.3900 . ?
C033 H033 0.9300 . ?
C033 C035 1.3900 . ?
C035 H035 0.9300 . ?
C035 C022 1.3900 . ?
C022 H022 0.9300 . ?
C01L C03G 1.3900 . ?
C01L C01J 1.3900 . ?
C03G H03G 0.9300 . ?
C03G C042 1.3900 . ?
C042 H042 0.9300 . ?
C042 C030 1.3900 . ?
C030 H030 0.9300 . ?
C030 C02H 1.3900 . ?
C02H H02H 0.9300 . ?
C02H C01J 1.3900 . ?
C01N C01M 1.3900 . ?
C01N C021 1.3900 . ?
C01M C03M 1.3900 . ?
C03M H03M 0.9300 . ?
C03M C04T 1.3900 . ?
C04T H04T 0.9300 . ?
C04T C045 1.3900 . ?
C045 H045 0.9300 . ?
C045 C021 1.3900 . ?
C01R C036 1.3900 . ?
C01R C02D 1.3900 . ?
C036 H036 0.9300 . ?
C036 C04C 1.3900 . ?
C04C H04C 0.9300 . ?
C04C C02M 1.3900 . ?
C02M H02M 0.9300 . ?
C02M C03V 1.3900 . ?
C03V H03V 0.9300 . ?
C03V C02D 1.3900 . ?
C02D H02D 0.9300 . ?
C01W C04A 1.3900 . ?
C01W C01V 1.3900 . ?
C04A H04A 0.9300 . ?
C04A C031 1.3900 . ?
C031 H031 0.9300 . ?
C031 C03O 1.3900 . ?
C03O H03O 0.9300 . ?
C03O C02Y 1.3900 . ?
C02Y H02Y 0.9300 . ?
C02Y C01V 1.3900 . ?
C01V H01V 0.9300 . ?
C01Z C04D 1.3900 . ?
C01Z C01Q 1.3900 . ?
C04D H04D 0.9300 . ?
C04D C02Z 1.3900 . ?
C02Z H02Z 0.9300 . ?
C02Z C02L 1.3900 . ?
C02L H02L 0.9300 . ?
C02L C037 1.3900 . ?
C037 H037 0.9300 . ?
C037 C01Q 1.3900 . ?
C01Q H01Q 0.9300 . ?
C028 C049 1.3900 . ?
C028 C024 1.3900 . ?
C049 C026 1.3900 . ?
C026 H026 0.9300 . ?
C026 C03H 1.3900 . ?
C03H H03H 0.9300 . ?
C03H C025 1.3900 . ?
C025 H025 0.9300 . ?
C025 C024 1.3900 . ?
C02B C040 1.3900 . ?
C02B C03S 1.3900 . ?
C040 C03N 1.3900 . ?
C03N H03N 0.9300 . ?
C03N C04B 1.3900 . ?
C04B H04B 0.9300 . ?
C04B C02W 1.3900 . ?
C02W H02W 0.9300 . ?
C02W C03S 1.3900 . ?
C02K C04R 1.3900 . ?
C02K C020 1.3900 . ?
C04R H04R 0.9300 . ?
C04R C04O 1.3900 . ?
C04O H04O 0.9300 . ?
C04O C04P 1.3900 . ?
C04P H04P 0.9300 . ?
C04P C02I 1.3900 . ?
C02I H02I 0.9300 . ?
C02I C020 1.3900 . ?
C020 H020 0.9300 . ?
C02O C01U 1.3900 . ?
C02O C02T 1.3900 . ?
C01U C03Q 1.3900 . ?
C03Q H03Q 0.9300 . ?
C03Q C02S 1.3900 . ?
C02S H02S 0.9300 . ?
C02S C027 1.3900 . ?
C027 H027 0.9300 . ?
C027 C02T 1.3900 . ?
C02Q C02E 1.3900 . ?
C02Q C04M 1.3900 . ?
C02E C01T 1.3900 . ?
C01T H01T 0.9300 . ?
C01T C04U 1.3900 . ?
C04U H04U 0.9300 . ?
C04U C71 1.3900 . ?
C71 H71 0.9300 . ?
C71 C04M 1.3900 . ?
C04M H04M 0.9300 . ?
C02U C02C 1.3900 . ?
C02U C02X 1.3900 . ?
C02C C03D 1.3900 . ?
C03D C02V 1.3900 . ?
C02V H02V 0.9300 . ?
C02V C023 1.3900 . ?
C023 H023 0.9300 . ?
C023 C02X 1.3900 . ?
C02X H02X 0.9300 . ?
C034 C04K 1.3900 . ?
C034 C03C 1.3900 . ?
C04K C03J 1.3900 . ?
C03J H03J 0.9300 . ?
C03J C03W 1.3900 . ?
C03W H03W 0.9300 . ?
C03W C04E 1.3900 . ?
C04E H04E 0.9300 . ?
C04E C03C 1.3900 . ?
C03A C03R 1.3900 . ?
C03A C041 1.3900 . ?
C03R H03R 0.9300 . ?
C03R C02G 1.3900 . ?
C02G H02G 0.9300 . ?
C02G C04H 1.3900 . ?
C04H H04H 0.9300 . ?
C04H C046 1.3900 . ?
C046 H046 0.9300 . ?
C046 C041 1.3900 . ?
C041 H041 0.9300 . ?
C03B C03Z 1.3900 . ?
C03B C02R 1.3900 . ?
C03Z C04G 1.3900 . ?
C04G H04G 0.9300 . ?
C04G C04Q 1.3900 . ?
C04Q H04Q 0.9300 . ?
C04Q C03K 1.3900 . ?
C03K H03K 0.9300 . ?
C03K C02R 1.3900 . ?
C03P C01S 1.3900 . ?
C03P C04I 1.3900 . ?
C01S H01S 0.9300 . ?
C01S C032 1.3900 . ?
C032 H032 0.9300 . ?
C032 C62 1.3900 . ?
C62 H62 0.9300 . ?
C62 C04L 1.3900 . ?
C04L H04L 0.9300 . ?
C04L C04I 1.3900 . ?
C04I H04I 0.9300 . ?
C03T C47 1.3900 . ?
C03T C039 1.3900 . ?
C47 H47 0.9300 . ?
C47 C29 1.3900 . ?
C29 H29 0.9300 . ?
C29 C044 1.3900 . ?
C044 H044 0.9300 . ?
C044 C03F 1.3900 . ?
C03F H03F 0.9300 . ?
C03F C039 1.3900 . ?
C039 H039 0.9300 . ?
C047 C49 1.3900 . ?
C047 C26 1.3900 . ?
C49 H49 0.9300 . ?
C49 C15 1.3900 . ?
C15 H15 0.9300 . ?
C15 C25 1.3900 . ?
C25 H25 0.9300 . ?
C25 C80 1.3900 . ?
C80 H80 0.9300 . ?
C80 C26 1.3900 . ?
C048 C03Y 1.3900 . ?
C048 C04J 1.3900 . ?
C03Y C03E 1.3900 . ?
C03E H03E 0.9300 . ?
C03E C03L 1.3900 . ?
C03L H03L 0.9300 . ?
C03L C45 1.3900 . ?
C45 H45 0.9300 . ?
C45 C04J 1.3900 . ?

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
Au02 Au01 Au03 116.15(6) . . ?
Au02 Au01 Ag1 178.44(7) . . ?
Au02 Au01 Ag06 61.74(5) . . ?
Au02 Au01 Ag07 64.03(6) . . ?
Au02 Au01 Ag08 64.22(6) . . ?
Au02 Au01 Ag0A 116.08(6) . . ?
Au02 Au01 Ag0B 116.63(6) . . ?
Au02 Au01 Ag0C 116.05(7) . . ?
Au02 Au01 Ag0D 114.62(6) . . ?
Au02 Au01 Au1 64.64(5) . . ?
Au02 Au01 Au2 178.44(7) . . ?
Au03 Au01 Ag1 64.45(5) . . ?
Au03 Au01 Ag06 115.12(6) . . ?
Au03 Au01 Ag07 115.20(7) . . ?
Au03 Au01 Ag08 62.78(6) . . ?
Au03 Au01 Ag0A 63.55(6) . . ?
Au03 Au01 Ag0B 115.93(7) . . ?
Au03 Au01 Ag0C 116.91(7) . . ?
Au03 Au01 Ag0D 62.15(6) . . ?
Au03 Au01 Au1 178.93(6) . . ?
Au03 Au01 Au2 64.45(5) . . ?
Ag1 Au01 Ag06 119.48(7) . . ?
Ag1 Au01 Ag07 114.42(7) . . ?
Ag1 Au01 Ag08 117.11(7) . . ?
Ag1 Au01 Ag0A 65.47(6) . . ?
Ag1 Au01 Ag0B 63.80(6) . . ?
Ag1 Au01 Ag0C 62.62(6) . . ?
Ag1 Au01 Ag0D 64.24(6) . . ?
Ag06 Au01 Ag0C 119.36(7) . . ?
Ag07 Au01 Ag06 117.37(7) . . ?
Ag07 Au01 Ag08 117.32(7) . . ?
Ag07 Au01 Ag0A 178.72(8) . . ?
Ag07 Au01 Ag0C 62.80(6) . . ?
Ag07 Au01 Ag0D 62.01(7) . . ?
Ag08 Au01 Ag06 60.88(6) . . ?
Ag08 Au01 Ag0C 179.69(9) . . ?
Ag08 Au01 Ag0D 114.21(8) . . ?
Ag0A Au01 Ag06 63.42(7) . . ?
Ag0A Au01 Ag08 62.00(7) . . ?
Ag0A Au01 Ag0C 117.87(7) . . ?
Ag0A Au01 Ag0D 117.10(7) . . ?
Ag0B Au01 Ag06 65.09(7) . . ?
Ag0B Au01 Ag07 118.92(7) . . ?
Ag0B Au01 Ag08 114.38(7) . . ?
Ag0B Au01 Ag0A 62.26(7) . . ?
Ag0B Au01 Ag0C 65.67(7) . . ?
Ag0B Au01 Ag0D 120.19(8) . . ?
Ag0D Au01 Ag06 174.58(8) . . ?
Ag0D Au01 Ag0C 65.56(7) . . ?
Au1 Au01 Ag06 64.46(6) . . ?
Au1 Au01 Ag07 65.74(6) . . ?
Au1 Au01 Ag08 117.40(6) . . ?
Au1 Au01 Ag0A 115.51(7) . . ?
Au1 Au01 Ag0B 63.00(6) . . ?
Au1 Au01 Ag0C 62.91(6) . . ?
Au1 Au01 Ag0D 118.35(7) . . ?
Au2 Au01 Ag06 119.48(7) . . ?
Au2 Au01 Ag07 114.42(7) . . ?
Au2 Au01 Ag08 117.11(7) . . ?
Au2 Au01 Ag0A 65.47(6) . . ?
Au2 Au01 Ag0B 63.80(6) . . ?
Au2 Au01 Ag0C 62.62(6) . . ?
Au2 Au01 Ag0D 64.24(6) . . ?
Au01 Au02 Ag06 61.35(5) . . ?
Au01 Au02 Ag07 59.42(5) . . ?
Au01 Au02 Ag08 59.73(5) . . ?
Au01 Au02 Ag09 61.09(5) . . ?
Au01 Au02 Au1 58.04(4) . . ?
Ag06 Au02 Ag07 113.11(7) . . ?
Ag06 Au02 Ag08 59.34(6) . . ?
Ag06 Au02 Ag09 112.14(7) . . ?
Ag06 Au02 Au1 62.14(5) . . ?
Ag07 Au02 Ag08 109.88(7) . . ?
Ag09 Au02 Ag07 59.93(6) . . ?
Ag09 Au02 Ag08 62.41(6) . . ?
Ag09 Au02 Au1 110.30(6) . . ?
P00H Au02 Au01 174.89(19) . . ?
P00H Au02 Ag06 123.75(19) . . ?
P00H Au02 Ag07 116.44(19) . . ?
P00H Au02 Ag08 121.61(19) . . ?
P00H Au02 Ag09 114.61(19) . . ?
P00H Au02 Au1 123.64(19) . . ?
Au1 Au02 Ag07 61.97(6) . . ?
Au1 Au02 Ag08 108.38(6) . . ?
Au01 Au03 Ag1 57.89(5) . . ?
Au01 Au03 Ag08 60.46(5) . . ?
Au01 Au03 Ag09 60.51(5) . . ?
Au01 Au03 Ag0A 59.82(5) . . ?
Au01 Au03 Ag0D 60.89(6) . . ?
Au01 Au03 Au2 57.89(5) . . ?
Ag1 Au03 Ag09 108.73(7) . . ?
Ag1 Au03 Ag0A 62.01(6) . . ?
Ag08 Au03 Ag1 109.74(7) . . ?
Ag08 Au03 Ag09 62.60(6) . . ?
Ag08 Au03 Ag0A 60.08(7) . . ?
Ag08 Au03 Au2 109.74(7) . . ?
Ag0A Au03 Ag09 111.09(7) . . ?
Ag0D Au03 Ag1 61.65(6) . . ?
Ag0D Au03 Ag08 111.31(7) . . ?
Ag0D Au03 Ag09 59.37(7) . . ?
Ag0D Au03 Ag0A 112.88(8) . . ?
Ag0D Au03 Au2 61.65(6) . . ?
P00W Au03 Au01 178.0(2) . . ?
P00W Au03 Ag1 122.3(3) . . ?
P00W Au03 Ag08 118.2(3) . . ?
P00W Au03 Ag09 120.5(3) . . ?
P00W Au03 Ag0A 118.4(2) . . ?
P00W Au03 Ag0D 121.1(2) . . ?
P00W Au03 Au2 122.3(3) . . ?
Au2 Au03 Ag09 108.73(7) . . ?
Au2 Au03 Ag0A 62.01(6) . . ?
Au01 Ag1 Au03 57.66(5) . . ?
Au01 Ag1 Ag0A 58.69(6) . . ?
Au01 Ag1 Ag0B 59.29(6) . . ?
Au01 Ag1 Ag0C 60.75(6) . . ?
Au01 Ag1 Ag0D 59.65(6) . . ?
Au03 Ag1 Ag0A 59.19(6) . . ?
Au03 Ag1 Ag0B 106.87(7) . . ?
Au03 Ag1 Ag0D 58.58(6) . . ?
Ag0B Ag1 Ag0A 58.72(7) . . ?
Ag0B Ag1 Ag0D 112.33(8) . . ?
Ag0C Ag1 Au03 109.73(7) . . ?
Ag0C Ag1 Ag0A 110.70(8) . . ?
Ag0C Ag1 Ag0B 63.50(7) . . ?
Ag0C Ag1 Ag0D 63.37(7) . . ?
Ag0D Ag1 Ag0A 108.05(8) . . ?
P015 Ag1 Au01 174.7(2) . . ?
P015 Ag1 Au03 123.2(3) . . ?
P015 Ag1 Ag0A 126.6(2) . . ?
P015 Ag1 Ag0B 123.1(3) . . ?
P015 Ag1 Ag0C 115.4(3) . . ?
P015 Ag1 Ag0D 115.8(2) . . ?
Au01 Ag06 Au02 56.91(5) . . ?
Au01 Ag06 Ag08 59.27(6) . . ?
Au01 Ag06 Ag0A 57.78(6) . . ?
Au01 Ag06 Ag0B 56.70(6) . . ?
Au01 Ag06 Ag0E 109.64(8) . . ?
Au01 Ag06 Au1 56.02(5) . . ?
Au02 Ag06 Ag08 61.94(6) . . ?
Au02 Ag06 Ag0A 107.17(8) . . ?
Au02 Ag06 Ag0B 105.54(8) . . ?
Au02 Ag06 Ag0E 166.52(10) . . ?
Au02 Ag06 Au1 59.92(5) . . ?
Ag08 Ag06 Ag0A 59.55(7) . . ?
Ag08 Ag06 Ag0B 106.24(9) . . ?
Ag08 Ag06 Ag0E 111.86(9) . . ?
Ag08 Ag06 Au1 108.68(8) . . ?
Ag0A Ag06 Ag0B 57.71(7) . . ?
Ag0A Ag06 Ag0E 60.79(7) . . ?
Ag0A Ag06 Au1 104.13(8) . . ?
Ag0E Ag06 Ag0B 63.58(7) . . ?
S00Q Ag06 Au01 157.9(2) . . ?
S00Q Ag06 Au02 139.6(2) . . ?
S00Q Ag06 Ag08 136.4(2) . . ?
S00Q Ag06 Ag0A 112.6(2) . . ?
S00Q Ag06 Ag0B 101.2(2) . . ?
S00Q Ag06 Ag0E 53.5(2) . . ?
S00Q Ag06 Au1 114.6(2) . . ?
Au1 Ag06 Ag0B 57.49(6) . . ?
Au1 Ag06 Ag0E 114.97(9) . . ?
Au01 Ag07 Au02 56.55(5) . . ?
Au01 Ag07 Ag09 60.11(6) . . ?
Au01 Ag07 Ag0C 59.34(6) . . ?
Au01 Ag07 Ag0D 59.51(6) . . ?
Au01 Ag07 Ag0G 108.53(8) . . ?
Au01 Ag07 Cl13 127.0(2) . . ?
Au01 Ag07 Au1 56.09(5) . . ?
Au02 Ag07 Ag0C 107.02(8) . . ?
Au02 Ag07 Ag0G 165.07(10) . . ?
Au02 Ag07 Au1 58.84(5) . . ?
Ag09 Ag07 Au02 59.82(6) . . ?
Ag09 Ag07 Ag0C 111.03(9) . . ?
Ag09 Ag07 Ag0G 114.25(10) . . ?
Ag09 Ag07 Au1 107.69(8) . . ?
Ag0C Ag07 Ag0G 60.93(7) . . ?
Ag0C Ag07 Au1 58.66(6) . . ?
Ag0D Ag07 Au02 106.49(8) . . ?
Ag0D Ag07 Ag09 59.43(7) . . ?
Ag0D Ag07 Ag0C 63.47(8) . . ?
Ag0D Ag07 Ag0G 61.09(8) . . ?
Ag0D Ag07 Au1 108.07(8) . . ?
S00J Ag07 Au01 152.7(2) . . ?
S00J Ag07 Au02 139.00(19) . . ?
S00J Ag07 Ag09 104.87(19) . . ?
S00J Ag07 Ag0C 113.95(19) . . ?
S00J Ag07 Ag0D 93.4(2) . . ?
S00J Ag07 Ag0G 54.12(19) . . ?
S00J Ag07 Cl13 75.9(3) . . ?
S00J Ag07 Au1 146.9(2) . . ?
Cl13 Ag07 Au02 105.0(3) . . ?
Cl13 Ag07 Ag09 158.3(3) . . ?
Cl13 Ag07 Ag0C 87.6(3) . . ?
Cl13 Ag07 Ag0D 142.1(3) . . ?
Cl13 Ag07 Ag0G 84.2(3) . . ?
Cl13 Ag07 Au1 71.7(2) . . ?
Au1 Ag07 Ag0G 114.98(8) . . ?
Au01 Ag08 Au02 56.05(5) . . ?
Au01 Ag08 Au03 56.76(5) . . ?
Au01 Ag08 Ag06 59.85(6) . . ?
Au01 Ag08 Ag09 58.38(6) . . ?
Au01 Ag08 Ag0A 58.77(6) . . ?
Au01 Ag08 Ag0F 117.90(9) . . ?
Au02 Ag08 Ag09 58.24(6) . . ?
Au02 Ag08 Ag0F 93.09(8) . . ?
Au03 Ag08 Au02 104.37(7) . . ?
Au03 Ag08 Ag09 59.76(6) . . ?
Au03 Ag08 Ag0A 60.37(7) . . ?
Au03 Ag08 Ag0F 89.83(8) . . ?
Ag06 Ag08 Au02 58.72(6) . . ?
Ag06 Ag08 Au03 109.11(8) . . ?
Ag06 Ag08 Ag09 108.12(9) . . ?
Ag06 Ag08 Ag0A 61.95(7) . . ?
Ag06 Ag08 Ag0F 148.67(10) . . ?
Ag0A Ag08 Au02 106.54(8) . . ?
Ag0A Ag08 Ag09 109.05(9) . . ?
Ag0A Ag08 Ag0F 147.26(10) . . ?
Ag0F Ag08 Ag09 59.58(7) . . ?
S00R Ag08 Au01 148.2(2) . . ?
S00R Ag08 Au02 140.7(2) . . ?
S00R Ag08 Au03 91.8(2) . . ?
S00R Ag08 Ag06 147.5(2) . . ?
S00R Ag08 Ag09 103.8(2) . . ?
S00R Ag08 Ag0A 112.5(2) . . ?
S00R Ag08 Ag0F 50.7(2) . . ?
Au01 Ag09 Au02 56.05(5) . . ?
Au01 Ag09 Au03 55.64(5) . . ?
Au01 Ag09 Ag07 57.96(6) . . ?
Au01 Ag09 Ag08 57.15(6) . . ?
Au01 Ag09 Ag0D 59.02(6) . . ?
Au01 Ag09 Ag0F 116.93(9) . . ?
Au02 Ag09 Au03 103.58(7) . . ?
Au02 Ag09 Ag07 60.25(6) . . ?
Au02 Ag09 Ag08 59.35(6) . . ?
Au02 Ag09 Ag0F 93.96(8) . . ?
Au03 Ag09 Ag08 57.64(6) . . ?
Au03 Ag09 Ag0F 88.76(8) . . ?
Ag07 Ag09 Au03 105.07(8) . . ?
Ag07 Ag09 Ag08 107.70(9) . . ?
Ag07 Ag09 Ag0F 152.69(10) . . ?
Ag0D Ag09 Au02 107.30(8) . . ?
Ag0D Ag09 Au03 58.78(7) . . ?
Ag0D Ag09 Ag07 60.04(8) . . ?
Ag0D Ag09 Ag08 106.73(9) . . ?
Ag0D Ag09 Ag0F 144.16(10) . . ?
Ag0F Ag09 Ag08 59.85(7) . . ?
S00K Ag09 Au01 147.5(2) . . ?
S00K Ag09 Au02 92.6(2) . . ?
S00K Ag09 Au03 137.4(2) . . ?
S00K Ag09 Ag07 117.1(2) . . ?
S00K Ag09 Ag08 101.5(2) . . ?
S00K Ag09 Ag0D 151.0(2) . . ?
S00K Ag09 Ag0F 50.5(2) . . ?
Au01 Ag0A Au03 56.63(5) . . ?
Au01 Ag0A Ag1 55.84(5) . . ?
Au01 Ag0A Ag06 58.79(6) . . ?
Au01 Ag0A Ag08 59.23(6) . . ?
Au01 Ag0A Ag0B 58.58(6) . . ?
Au01 Ag0A Ag0E 110.21(9) . . ?
Au01 Ag0A Au2 55.84(5) . . ?
Au03 Ag0A Ag1 58.80(6) . . ?
Au03 Ag0A Ag06 105.75(8) . . ?
Au03 Ag0A Ag0E 165.90(10) . . ?
Au03 Ag0A Au2 58.80(6) . . ?
Ag1 Ag0A Ag0E 120.05(9) . . ?
Ag06 Ag0A Ag1 107.38(8) . . ?
Ag06 Ag0A Ag0E 60.46(7) . . ?
Ag06 Ag0A Au2 107.38(8) . . ?
Ag08 Ag0A Au03 59.55(6) . . ?
Ag08 Ag0A Ag1 106.77(8) . . ?
Ag08 Ag0A Ag06 58.50(7) . . ?
Ag08 Ag0A Ag0E 110.69(9) . . ?
Ag08 Ag0A Au2 106.77(8) . . ?
Ag0B Ag0A Au03 107.03(8) . . ?
Ag0B Ag0A Ag1 59.31(7) . . ?
Ag0B Ag0A Ag06 62.19(7) . . ?
Ag0B Ag0A Ag08 109.00(9) . . ?
Ag0B Ag0A Ag0E 65.02(8) . . ?
Ag0B Ag0A Au2 59.31(7) . . ?
S00L Ag0A Au01 153.0(2) . . ?
S00L Ag0A Au03 135.2(2) . . ?
S00L Ag0A Ag1 149.1(2) . . ?
S00L Ag0A Ag06 95.1(2) . . ?
S00L Ag0A Ag08 103.0(2) . . ?
S00L Ag0A Ag0B 117.8(2) . . ?
S00L Ag0A Ag0E 54.1(2) . . ?
S00L Ag0A Au2 149.1(2) . . ?
Au2 Ag0A Ag0E 120.05(9) . . ?
Au01 Ag0B Ag1 56.90(6) . . ?
Au01 Ag0B Ag06 58.22(6) . . ?
Au01 Ag0B Ag0A 59.16(6) . . ?
Au01 Ag0B Ag0C 57.95(6) . . ?
Au01 Ag0B Ag0E 106.33(8) . . ?
Au01 Ag0B Au1 57.49(5) . . ?
Au01 Ag0B Au2 56.90(6) . . ?
Ag1 Ag0B Ag06 107.81(8) . . ?
Ag1 Ag0B Ag0C 57.91(7) . . ?
Ag1 Ag0B Ag0E 117.46(9) . . ?
Ag06 Ag0B Ag0C 107.41(8) . . ?
Ag06 Ag0B Ag0E 58.09(7) . . ?
Ag0A Ag0B Ag1 61.98(7) . . ?
Ag0A Ag0B Ag06 60.10(7) . . ?
Ag0A Ag0B Ag0C 108.82(9) . . ?
Ag0A Ag0B Ag0E 59.55(7) . . ?
Ag0A Ag0B Au2 61.98(7) . . ?
Ag0C Ag0B Ag0E 164.10(10) . . ?
S00M Ag0B Au01 154.81(19) . . ?
S00M Ag0B Ag1 121.0(2) . . ?
S00M Ag0B Ag06 105.02(18) . . ?
S00M Ag0B Ag0A 96.76(19) . . ?
S00M Ag0B Ag0C 145.70(18) . . ?
S00M Ag0B Ag0E 50.18(16) . . ?
S00M Ag0B Au1 134.1(2) . . ?
S00M Ag0B Au2 121.0(2) . . ?
Au1 Ag0B Ag06 60.28(6) . . ?
Au1 Ag0B Ag0A 108.29(8) . . ?
Au1 Ag0B Ag0C 58.57(6) . . ?
Au1 Ag0B Ag0E 112.55(9) . . ?
Au2 Ag0B Ag06 107.81(8) . . ?
Au2 Ag0B Ag0C 57.91(7) . . ?
Au2 Ag0B Ag0E 117.46(9) . . ?
Au01 Ag0C Ag1 56.63(6) . . ?
Au01 Ag0C Ag07 57.86(6) . . ?
Au01 Ag0C Ag0B 56.38(6) . . ?
Au01 Ag0C Ag0D 57.00(6) . . ?
Au01 Ag0C Ag0G 107.99(9) . . ?
Au01 Ag0C Au1 56.71(5) . . ?
Au01 Ag0C Au2 56.63(6) . . ?
Ag1 Ag0C Ag07 105.42(9) . . ?
Ag1 Ag0C Ag0B 58.59(7) . . ?
Ag1 Ag0C Ag0D 59.25(7) . . ?
Ag1 Ag0C Ag0G 111.68(9) . . ?
Ag07 Ag0C Ag0B 106.86(9) . . ?
Ag07 Ag0C Ag0D 57.62(7) . . ?
Ag07 Ag0C Ag0G 61.71(7) . . ?
Ag0B Ag0C Ag0D 105.38(9) . . ?
Ag0G Ag0C Ag0B 164.04(10) . . ?
Ag0G Ag0C Ag0D 59.52(8) . . ?
S00Y Ag0C Au01 155.1(2) . . ?
S00Y Ag0C Ag1 138.9(2) . . ?
S00Y Ag0C Ag07 97.3(2) . . ?
S00Y Ag0C Ag0B 144.3(2) . . ?
S00Y Ag0C Ag0D 109.8(2) . . ?
S00Y Ag0C Ag0G 51.6(2) . . ?
S00Y Ag0C Au1 116.3(2) . . ?
S00Y Ag0C Au2 138.9(2) . . ?
Au1 Ag0C Ag07 61.76(7) . . ?
Au1 Ag0C Ag0B 57.83(6) . . ?
Au1 Ag0C Ag0D 105.95(8) . . ?
Au1 Ag0C Ag0G 118.50(9) . . ?
Au2 Ag0C Ag07 105.42(9) . . ?
Au2 Ag0C Ag0B 58.59(7) . . ?
Au2 Ag0C Ag0D 59.25(7) . . ?
Au2 Ag0C Ag0G 111.68(9) . . ?
Au01 Ag0D Au03 56.96(5) . . ?
Au01 Ag0D Ag1 56.11(5) . . ?
Au01 Ag0D Ag07 58.48(6) . . ?
Au01 Ag0D Ag09 60.16(6) . . ?
Au01 Ag0D Ag0C 57.44(6) . . ?
Au01 Ag0D Ag0G 108.69(9) . . ?
Au01 Ag0D Au2 56.11(5) . . ?
Au03 Ag0D Ag1 59.77(6) . . ?
Au03 Ag0D Ag07 107.79(8) . . ?
Au03 Ag0D Ag09 61.85(7) . . ?
Au03 Ag0D Ag0C 105.88(8) . . ?
Au03 Ag0D Ag0G 165.17(10) . . ?
Au03 Ag0D Au2 59.77(6) . . ?
Ag1 Ag0D Ag0C 57.38(7) . . ?
Ag1 Ag0D Ag0G 110.39(9) . . ?
Ag07 Ag0D Ag1 104.95(9) . . ?
Ag07 Ag0D Ag0C 58.91(7) . . ?
Ag07 Ag0D Ag0G 62.31(8) . . ?
Ag07 Ag0D Au2 104.95(9) . . ?
Ag09 Ag0D Ag1 109.19(8) . . ?
Ag09 Ag0D Ag07 60.53(7) . . ?
Ag09 Ag0D Ag0C 108.26(9) . . ?
Ag09 Ag0D Ag0G 116.30(10) . . ?
Ag09 Ag0D Au2 109.19(8) . . ?
Ag0G Ag0D Ag0C 59.92(8) . . ?
S00Z Ag0D Au01 161.0(3) . . ?
S00Z Ag0D Au03 137.5(3) . . ?
S00Z Ag0D Ag1 116.0(2) . . ?
S00Z Ag0D Ag07 113.5(2) . . ?
S00Z Ag0D Ag09 133.8(2) . . ?
S00Z Ag0D Ag0C 103.5(2) . . ?
S00Z Ag0D Ag0G 55.5(2) . . ?
S00Z Ag0D Au2 116.0(2) . . ?
Au2 Ag0D Ag0C 57.38(7) . . ?
Au2 Ag0D Ag0G 110.39(9) . . ?
Ag06 Ag0E Ag0A 58.75(7) . . ?
Ag06 Ag0E Ag0B 58.33(7) . . ?
Ag0A Ag0E Ag0B 55.43(7) . . ?
S00L Ag0E Ag06 92.0(2) . . ?
S00L Ag0E Ag0A 51.36(18) . . ?
S00L Ag0E Ag0B 105.75(19) . . ?
S00M Ag0E Ag06 106.0(2) . . ?
S00M Ag0E Ag0A 94.0(2) . . ?
S00M Ag0E Ag0B 50.93(19) . . ?
S00M Ag0E S00L 123.9(3) . . ?
S00M Ag0E S00Q 116.1(3) . . ?
S00Q Ag0E Ag06 51.78(19) . . ?
S00Q Ag0E Ag0A 109.0(2) . . ?
S00Q Ag0E Ag0B 95.88(18) . . ?
S00Q Ag0E S00L 116.6(3) . . ?
Ag09 Ag0F Ag08 60.57(7) . . ?
S00K Ag0F Ag08 105.0(2) . . ?
S00K Ag0F Ag09 54.1(2) . . ?
S00K Ag0F S00R 158.1(3) . . ?
S00R Ag0F Ag08 53.13(19) . . ?
S00R Ag0F Ag09 106.8(2) . . ?
Ag0C Ag0G Ag07 57.35(7) . . ?
Ag0D Ag0G Ag07 56.61(7) . . ?
Ag0D Ag0G Ag0C 60.56(7) . . ?
S00J Ag0G Ag07 50.71(17) . . ?
S00J Ag0G Ag0C 107.10(18) . . ?
S00J Ag0G Ag0D 87.89(18) . . ?
S00J Ag0G S00Z 105.8(3) . . ?
S00J Ag0G Cl9 86.6(2) . . ?
S00Y Ag0G Ag07 95.6(2) . . ?
S00Y Ag0G Ag0C 53.9(2) . . ?
S00Y Ag0G Ag0D 113.0(2) . . ?
S00Y Ag0G S00J 121.8(3) . . ?
S00Y Ag0G S00Z 130.0(3) . . ?
S00Y Ag0G Cl9 122.4(3) . . ?
S00Z Ag0G Ag07 104.1(2) . . ?
S00Z Ag0G Ag0C 100.5(2) . . ?
S00Z Ag0G Ag0D 51.0(2) . . ?
S00Z Ag0G Cl9 71.1(3) . . ?
Cl9 Ag0G Ag07 135.00(19) . . ?
Cl9 Ag0G Ag0C 165.7(2) . . ?
Cl9 Ag0G Ag0D 117.4(2) . . ?
C01I P00H Au02 115.4(7) . . ?
C01I P00H C01K 102.4(9) . . ?
C01I P00H C01Z 106.0(11) . . ?
C01K P00H Au02 115.7(7) . . ?
C01K P00H C01Z 104.5(10) . . ?
C01Z P00H Au02 111.7(8) . . ?
C01L P00I C01R 101.1(10) . . ?
C01L P00I C01W 105.5(10) . . ?
C01L P00I Au1 116.5(8) . . ?
C01R P00I Au1 113.0(7) . . ?
C01W P00I C01R 104.5(10) . . ?
C01W P00I Au1 114.7(7) . . ?
Ag07 S00J Ag0G 75.2(2) . . ?
C048 S00J Ag07 111.9(8) . . ?
C048 S00J Ag0G 114.3(8) . . ?
Ag0F S00K Ag09 75.4(2) . . ?
C028 S00K Ag09 114.3(8) . . ?
C028 S00K Ag0F 109.9(8) . . ?
Ag0A S00L Ag0E 74.6(2) . . ?
C02O S00L Ag0A 115.4(8) . . ?
C02O S00L Ag0E 109.1(9) . . ?
Ag0E S00M Ag0B 78.9(2) . . ?
C02B S00M Ag0B 108.8(7) . . ?
C02B S00M Ag0E 112.7(8) . . ?
Ag06 S00Q Ag0E 74.8(2) . . ?
C01N S00Q Ag06 112.6(8) . . ?
C01N S00Q Ag0E 106.2(8) . . ?
Ag0F S00R Ag08 76.1(2) . . ?
C03B S00R Ag08 111.2(7) . . ?
C03B S00R Ag0F 104.5(8) . . ?
C03A P00W Au03 109.0(8) . . ?
C03P P00W Au03 118.6(9) . . ?
C03P P00W C03A 106.5(12) . . ?
C047 P00W Au03 113.4(11) . . ?
C047 P00W C03A 106.1(14) . . ?
C047 P00W C03P 102.3(13) . . ?
Ag0G S00Y Ag0C 74.5(3) . . ?
C034 S00Y Ag0C 115.7(9) . . ?
C034 S00Y Ag0G 109.3(9) . . ?
Ag0D S00Z Ag0G 73.4(2) . . ?
C02C S00Z Ag0D 108.8(8) . . ?
C02C S00Z Ag0G 96.5(8) . . ?
C02U Cl9 Ag0G 90.1(7) . . ?
C02K P015 Ag1 110.2(9) . . ?
C02K P015 C03T 101.0(14) . . ?
C02K P015 Au2 110.2(9) . . ?
C02E P015 Ag1 116.4(10) . . ?
C02E P015 C02K 109.5(12) . . ?
C02E P015 C03T 103.6(14) . . ?
C02E P015 Au2 116.4(10) . . ?
C03T P015 Ag1 114.9(10) . . ?
C03T P015 Au2 114.9(10) . . ?
C04J Cl13 Ag07 102.6(9) . . ?
C02N O01B C01J 115.1(18) . . ?
C26 O01H C02Q 118(2) . . ?
C01O C01I P00H 118.8(11) . . ?
C01O C01I C02P 120.0 . . ?
C02P C01I P00H 121.1(11) . . ?
C01I C01O H01O 120.0 . . ?
C02J C01O C01I 120.0 . . ?
C02J C01O H01O 120.0 . . ?
C01O C02J H02J 120.0 . . ?
C01X C02J C01O 120.0 . . ?
C01X C02J H02J 120.0 . . ?
C02J C01X H01X 120.0 . . ?
C02J C01X C03U 120.0 . . ?
C03U C01X H01X 120.0 . . ?
C01X C03U H03U 120.0 . . ?
C02P C03U C01X 120.0 . . ?
C02P C03U H03U 120.0 . . ?
C01I C02P H02P 120.0 . . ?
C03U C02P C01I 120.0 . . ?
C03U C02P H02P 120.0 . . ?
C02N C01K P00H 120.5(11) . . ?
C02N C01K C022 120.0 . . ?
C022 C01K P00H 119.5(11) . . ?
C01K C02N O01B 114.5(15) . . ?
C029 C02N O01B 125.1(15) . . ?
C029 C02N C01K 120.0 . . ?
C02N C029 H029 120.0 . . ?
C02N C029 C033 120.0 . . ?
C033 C029 H029 120.0 . . ?
C029 C033 H033 120.0 . . ?
C035 C033 C029 120.0 . . ?
C035 C033 H033 120.0 . . ?
C033 C035 H035 120.0 . . ?
C022 C035 C033 120.0 . . ?
C022 C035 H035 120.0 . . ?
C01K C022 H022 120.0 . . ?
C035 C022 C01K 120.0 . . ?
C035 C022 H022 120.0 . . ?
C03G C01L P00I 122.8(12) . . ?
C03G C01L C01J 120.0 . . ?
C01J C01L P00I 117.2(12) . . ?
C01L C03G H03G 120.0 . . ?
C01L C03G C042 120.0 . . ?
C042 C03G H03G 120.0 . . ?
C03G C042 H042 120.0 . . ?
C030 C042 C03G 120.0 . . ?
C030 C042 H042 120.0 . . ?
C042 C030 H030 120.0 . . ?
C042 C030 C02H 120.0 . . ?
C02H C030 H030 120.0 . . ?
C030 C02H H02H 120.0 . . ?
C01J C02H C030 120.0 . . ?
C01J C02H H02H 120.0 . . ?
C01L C01J O01B 121.0(15) . . ?
C02H C01J O01B 118.9(15) . . ?
C02H C01J C01L 120.0 . . ?
C01M C01N S00Q 118.9(12) . . ?
C01M C01N C021 120.0 . . ?
C021 C01N S00Q 120.5(12) . . ?
C01N C01M Cl5 124.1(13) . . ?
C01N C01M C03M 120.0 . . ?
C03M C01M Cl5 115.9(13) . . ?
C01M C03M H03M 120.0 . . ?
C04T C03M C01M 120.0 . . ?
C04T C03M H03M 120.0 . . ?
C03M C04T H04T 120.0 . . ?
C045 C04T C03M 120.0 . . ?
C045 C04T H04T 120.0 . . ?
C04T C045 H045 120.0 . . ?
C04T C045 C021 120.0 . . ?
C021 C045 H045 120.0 . . ?
C01N C021 Cl4 123.7(13) . . ?
C045 C021 Cl4 116.3(13) . . ?
C045 C021 C01N 120.0 . . ?
C036 C01R P00I 119.9(12) . . ?
C036 C01R C02D 120.0 . . ?
C02D C01R P00I 120.0(12) . . ?
C01R C036 H036 120.0 . . ?
C01R C036 C04C 120.0 . . ?
C04C C036 H036 120.0 . . ?
C036 C04C H04C 120.0 . . ?
C02M C04C C036 120.0 . . ?
C02M C04C H04C 120.0 . . ?
C04C C02M H02M 120.0 . . ?
C03V C02M C04C 120.0 . . ?
C03V C02M H02M 120.0 . . ?
C02M C03V H03V 120.0 . . ?
C02M C03V C02D 120.0 . . ?
C02D C03V H03V 120.0 . . ?
C01R C02D H02D 120.0 . . ?
C03V C02D C01R 120.0 . . ?
C03V C02D H02D 120.0 . . ?
C04A C01W P00I 119.7(11) . . ?
C04A C01W C01V 120.0 . . ?
C01V C01W P00I 119.9(10) . . ?
C01W C04A H04A 120.0 . . ?
C031 C04A C01W 120.0 . . ?
C031 C04A H04A 120.0 . . ?
C04A C031 H031 120.0 . . ?
C04A C031 C03O 120.0 . . ?
C03O C031 H031 120.0 . . ?
C031 C03O H03O 120.0 . . ?
C031 C03O C02Y 120.0 . . ?
C02Y C03O H03O 120.0 . . ?
C03O C02Y H02Y 120.0 . . ?
C03O C02Y C01V 120.0 . . ?
C01V C02Y H02Y 120.0 . . ?
C01W C01V H01V 120.0 . . ?
C02Y C01V C01W 120.0 . . ?
C02Y C01V H01V 120.0 . . ?
C04D C01Z P00H 122.0(13) . . ?
C04D C01Z C01Q 120.0 . . ?
C01Q C01Z P00H 118.0(13) . . ?
C01Z C04D H04D 120.0 . . ?
C02Z C04D C01Z 120.0 . . ?
C02Z C04D H04D 120.0 . . ?
C04D C02Z H02Z 120.0 . . ?
C02L C02Z C04D 120.0 . . ?
C02L C02Z H02Z 120.0 . . ?
C02Z C02L H02L 120.0 . . ?
C02Z C02L C037 120.0 . . ?
C037 C02L H02L 120.0 . . ?
C02L C037 H037 120.0 . . ?
C01Q C037 C02L 120.0 . . ?
C01Q C037 H037 120.0 . . ?
C01Z C01Q H01Q 120.0 . . ?
C037 C01Q C01Z 120.0 . . ?
C037 C01Q H01Q 120.0 . . ?
C049 C028 S00K 118.3(13) . . ?
C049 C028 C024 120.0 . . ?
C024 C028 S00K 121.4(13) . . ?
C028 C049 Cl 125.1(13) . . ?
C026 C049 Cl 114.8(13) . . ?
C026 C049 C028 120.0 . . ?
C049 C026 H026 120.0 . . ?
C03H C026 C049 120.0 . . ?
C03H C026 H026 120.0 . . ?
C026 C03H H03H 120.0 . . ?
C026 C03H C025 120.0 . . ?
C025 C03H H03H 120.0 . . ?
C03H C025 H025 120.0 . . ?
C024 C025 C03H 120.0 . . ?
C024 C025 H025 120.0 . . ?
C028 C024 Cl1 120.5(13) . . ?
C025 C024 Cl1 119.4(13) . . ?
C025 C024 C028 120.0 . . ?
C040 C02B S00M 117.7(12) . . ?
C040 C02B C03S 120.0 . . ?
C03S C02B S00M 122.2(12) . . ?
C02B C040 Cl14 124.6(13) . . ?
C02B C040 C03N 120.0 . . ?
C03N C040 Cl14 115.4(13) . . ?
C040 C03N H03N 120.0 . . ?
C04B C03N C040 120.0 . . ?
C04B C03N H03N 120.0 . . ?
C03N C04B H04B 120.0 . . ?
C03N C04B C02W 120.0 . . ?
C02W C04B H04B 120.0 . . ?
C04B C02W H02W 120.0 . . ?
C03S C02W C04B 120.0 . . ?
C03S C02W H02W 120.0 . . ?
C02B C03S Cl15 121.0(12) . . ?
C02W C03S Cl15 118.7(12) . . ?
C02W C03S C02B 120.0 . . ?
C04R C02K P015 121.3(15) . . ?
C04R C02K C020 120.0 . . ?
C020 C02K P015 118.7(15) . . ?
C02K C04R H04R 120.0 . . ?
C04O C04R C02K 120.0 . . ?
C04O C04R H04R 120.0 . . ?
C04R C04O H04O 120.0 . . ?
C04P C04O C04R 120.0 . . ?
C04P C04O H04O 120.0 . . ?
C04O C04P H04P 120.0 . . ?
C04O C04P C02I 120.0 . . ?
C02I C04P H04P 120.0 . . ?
C04P C02I H02I 120.0 . . ?
C020 C02I C04P 120.0 . . ?
C020 C02I H02I 120.0 . . ?
C02K C020 H020 120.0 . . ?
C02I C020 C02K 120.0 . . ?
C02I C020 H020 120.0 . . ?
C01U C02O S00L 117.3(13) . . ?
C02T C02O S00L 122.7(13) . . ?
C02T C02O C01U 120.0 . . ?
C02O C01U Cl6 123.4(14) . . ?
C03Q C01U Cl6 116.5(13) . . ?
C03Q C01U C02O 120.0 . . ?
C01U C03Q H03Q 120.0 . . ?
C01U C03Q C02S 120.0 . . ?
C02S C03Q H03Q 120.0 . . ?
C03Q C02S H02S 120.0 . . ?
C027 C02S C03Q 120.0 . . ?
C027 C02S H02S 120.0 . . ?
C02S C027 H027 120.0 . . ?
C02S C027 C02T 120.0 . . ?
C02T C027 H027 120.0 . . ?
C02O C02T Cl7 123.8(13) . . ?
C027 C02T Cl7 116.2(13) . . ?
C027 C02T C02O 120.0 . . ?
O01H C02Q C02E 110(2) . . ?
O01H C02Q C04M 129(2) . . ?
C02E C02Q C04M 120.0 . . ?
C02Q C02E P015 122.8(15) . . ?
C01T C02E P015 117.1(15) . . ?
C01T C02E C02Q 120.0 . . ?
C02E C01T H01T 120.0 . . ?
C02E C01T C04U 120.0 . . ?
C04U C01T H01T 120.0 . . ?
C01T C04U H04U 120.0 . . ?
C71 C04U C01T 120.0 . . ?
C71 C04U H04U 120.0 . . ?
C04U C71 H71 120.0 . . ?
C04U C71 C04M 120.0 . . ?
C04M C71 H71 120.0 . . ?
C02Q C04M H04M 120.0 . . ?
C71 C04M C02Q 120.0 . . ?
C71 C04M H04M 120.0 . . ?
C02C C02U Cl9 123.6(12) . . ?
C02C C02U C02X 120.0 . . ?
C02X C02U Cl9 116.3(12) . . ?
C02U C02C S00Z 119.7(12) . . ?
C02U C02C C03D 120.0 . . ?
C03D C02C S00Z 120.2(12) . . ?
C02C C03D Cl8 123.5(12) . . ?
C02C C03D C02V 120.0 . . ?
C02V C03D Cl8 116.4(12) . . ?
C03D C02V H02V 120.0 . . ?
C023 C02V C03D 120.0 . . ?
C023 C02V H02V 120.0 . . ?
C02V C023 H023 120.0 . . ?
C02V C023 C02X 120.0 . . ?
C02X C023 H023 120.0 . . ?
C02U C02X H02X 120.0 . . ?
C023 C02X C02U 120.0 . . ?
C023 C02X H02X 120.0 . . ?
C04K C034 S00Y 119.1(14) . . ?
C04K C034 C03C 120.0 . . ?
C03C C034 S00Y 120.8(14) . . ?
C034 C04K Cl10 123.4(14) . . ?
C03J C04K Cl10 116.4(14) . . ?
C03J C04K C034 120.0 . . ?
C04K C03J H03J 120.0 . . ?
C04K C03J C03W 120.0 . . ?
C03W C03J H03J 120.0 . . ?
C03J C03W H03W 120.0 . . ?
C04E C03W C03J 120.0 . . ?
C04E C03W H03W 120.0 . . ?
C03W C04E H04E 120.0 . . ?
C03W C04E C03C 120.0 . . ?
C03C C04E H04E 120.0 . . ?
C034 C03C Cl11 121.7(15) . . ?
C04E C03C Cl11 118.2(15) . . ?
C04E C03C C034 120.0 . . ?
C03R C03A P00W 115.6(13) . . ?
C03R C03A C041 120.0 . . ?
C041 C03A P00W 124.1(13) . . ?
C03A C03R H03R 120.0 . . ?
C02G C03R C03A 120.0 . . ?
C02G C03R H03R 120.0 . . ?
C03R C02G H02G 120.0 . . ?
C04H C02G C03R 120.0 . . ?
C04H C02G H02G 120.0 . . ?
C02G C04H H04H 120.0 . . ?
C02G C04H C046 120.0 . . ?
C046 C04H H04H 120.0 . . ?
C04H C046 H046 120.0 . . ?
C041 C046 C04H 120.0 . . ?
C041 C046 H046 120.0 . . ?
C03A C041 H041 120.0 . . ?
C046 C041 C03A 120.0 . . ?
C046 C041 H041 120.0 . . ?
C03Z C03B S00R 120.3(12) . . ?
C03Z C03B C02R 120.0 . . ?
C02R C03B S00R 119.6(12) . . ?
C03B C03Z Cl2 121.9(13) . . ?
C03B C03Z C04G 120.0 . . ?
C04G C03Z Cl2 118.1(13) . . ?
C03Z C04G H04G 120.0 . . ?
C04Q C04G C03Z 120.0 . . ?
C04Q C04G H04G 120.0 . . ?
C04G C04Q H04Q 120.0 . . ?
C04G C04Q C03K 120.0 . . ?
C03K C04Q H04Q 120.0 . . ?
C04Q C03K H03K 120.0 . . ?
C02R C03K C04Q 120.0 . . ?
C02R C03K H03K 120.0 . . ?
C03B C02R Cl3 122.7(13) . . ?
C03K C02R Cl3 117.0(13) . . ?
C03K C02R C03B 120.0 . . ?
C01S C03P P00W 119.5(14) . . ?
C01S C03P C04I 120.0 . . ?
C04I C03P P00W 120.4(14) . . ?
C03P C01S H01S 120.0 . . ?
C032 C01S C03P 120.0 . . ?
C032 C01S H01S 120.0 . . ?
C01S C032 H032 120.0 . . ?
C01S C032 C62 120.0 . . ?
C62 C032 H032 120.0 . . ?
C032 C62 H62 120.0 . . ?
C04L C62 C032 120.0 . . ?
C04L C62 H62 120.0 . . ?
C62 C04L H04L 120.0 . . ?
C62 C04L C04I 120.0 . . ?
C04I C04L H04L 120.0 . . ?
C03P C04I H04I 120.0 . . ?
C04L C04I C03P 120.0 . . ?
C04L C04I H04I 120.0 . . ?
C47 C03T P015 120.7(18) . . ?
C47 C03T C039 120.0 . . ?
C039 C03T P015 119.1(18) . . ?
C03T C47 H47 120.0 . . ?
C03T C47 C29 120.0 . . ?
C29 C47 H47 120.0 . . ?
C47 C29 H29 120.0 . . ?
C47 C29 C044 120.0 . . ?
C044 C29 H29 120.0 . . ?
C29 C044 H044 120.0 . . ?
C03F C044 C29 120.0 . . ?
C03F C044 H044 120.0 . . ?
C044 C03F H03F 120.0 . . ?
C039 C03F C044 120.0 . . ?
C039 C03F H03F 120.0 . . ?
C03T C039 H039 120.0 . . ?
C03F C039 C03T 120.0 . . ?
C03F C039 H039 120.0 . . ?
C49 C047 P00W 123(2) . . ?
C49 C047 C26 120.0 . . ?
C26 C047 P00W 117(2) . . ?
C047 C49 H49 120.0 . . ?
C15 C49 C047 120.0 . . ?
C15 C49 H49 120.0 . . ?
C49 C15 H15 120.0 . . ?
C49 C15 C25 120.0 . . ?
C25 C15 H15 120.0 . . ?
C15 C25 H25 120.0 . . ?
C80 C25 C15 120.0 . . ?
C80 C25 H25 120.0 . . ?
C25 C80 H80 120.0 . . ?
C25 C80 C26 120.0 . . ?
C26 C80 H80 120.0 . . ?
O01H C26 C047 125(3) . . ?
O01H C26 C80 115(3) . . ?
C80 C26 C047 120.0 . . ?
C03Y C048 S00J 118.8(13) . . ?
C03Y C048 C04J 120.0 . . ?
C04J C048 S00J 121.1(13) . . ?
C048 C03Y Cl12 119.8(14) . . ?
C048 C03Y C03E 120.0 . . ?
C03E C03Y Cl12 120.2(14) . . ?
C03Y C03E H03E 120.0 . . ?
C03L C03E C03Y 120.0 . . ?
C03L C03E H03E 120.0 . . ?
C03E C03L H03L 120.0 . . ?
C03E C03L C45 120.0 . . ?
C45 C03L H03L 120.0 . . ?
C03L C45 H45 120.0 . . ?
C04J C45 C03L 120.0 . . ?
C04J C45 H45 120.0 . . ?
C048 C04J Cl13 123.1(13) . . ?
C45 C04J Cl13 116.9(13) . . ?
C45 C04J C048 120.0 . . ?
Au01 Au1 Au02 57.33(4) . . ?
Au01 Au1 Ag06 59.51(5) . . ?
Au01 Au1 Ag07 58.17(5) . . ?
Au01 Au1 Ag0B 59.50(6) . . ?
Au01 Au1 Ag0C 60.38(6) . . ?
Au02 Au1 Ag06 57.94(5) . . ?
Au02 Au1 Ag07 59.20(5) . . ?
Au02 Au1 Ag0C 108.06(7) . . ?
Ag06 Au1 Ag07 107.41(7) . . ?
Ag0B Au1 Au02 107.76(7) . . ?
Ag0B Au1 Ag06 62.24(7) . . ?
Ag0B Au1 Ag07 109.65(7) . . ?
Ag0B Au1 Ag0C 63.60(7) . . ?
Ag0C Au1 Ag06 112.92(8) . . ?
Ag0C Au1 Ag07 59.58(6) . . ?
P00I Au1 Au01 175.9(2) . . ?
P00I Au1 Au02 122.8(2) . . ?
P00I Au1 Ag06 116.7(2) . . ?
P00I Au1 Ag07 125.8(2) . . ?
P00I Au1 Ag0B 117.8(2) . . ?
P00I Au1 Ag0C 121.9(2) . . ?
Au01 Au2 Au03 57.66(5) . . ?
Au01 Au2 Ag0A 58.69(6) . . ?
Au01 Au2 Ag0B 59.29(6) . . ?
Au01 Au2 Ag0C 60.75(6) . . ?
Au01 Au2 Ag0D 59.65(6) . . ?
Au03 Au2 Ag0A 59.19(6) . . ?
Au03 Au2 Ag0B 106.87(7) . . ?
Au03 Au2 Ag0D 58.58(6) . . ?
Ag0B Au2 Ag0A 58.72(7) . . ?
Ag0B Au2 Ag0D 112.33(8) . . ?
Ag0C Au2 Au03 109.73(7) . . ?
Ag0C Au2 Ag0A 110.70(8) . . ?
Ag0C Au2 Ag0B 63.50(7) . . ?
Ag0C Au2 Ag0D 63.37(7) . . ?
Ag0D Au2 Ag0A 108.05(8) . . ?
P015 Au2 Au01 174.7(2) . . ?
P015 Au2 Au03 123.2(3) . . ?
P015 Au2 Ag0A 126.6(2) . . ?
P015 Au2 Ag0B 123.1(3) . . ?
P015 Au2 Ag0C 115.4(3) . . ?
P015 Au2 Ag0D 115.8(2) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Au02 P00H C01I C01O 25.8(14) . . . . ?
Au02 P00H C01I C02P -157.2(10) . . . . ?
Au02 P00H C01K C02N 53.4(12) . . . . ?
Au02 P00H C01K C022 -126.7(9) . . . . ?
Au02 P00H C01Z C04D -138.8(10) . . . . ?
Au02 P00H C01Z C01Q 42.9(13) . . . . ?
Au03 P00W C03A C03R 52.2(12) . . . . ?
Au03 P00W C03A C041 -134.5(11) . . . . ?
Au03 P00W C03P C01S 15.6(18) . . . . ?
Au03 P00W C03P C04I -161.8(12) . . . . ?
Au03 P00W C047 C49 -129.8(15) . . . . ?
Au03 P00W C047 C26 49.4(16) . . . . ?
Ag1 P015 C02K C04R -156.1(11) . . . . ?
Ag1 P015 C02K C020 22.0(15) . . . . ?
Ag1 P015 C02E C02Q 46.1(17) . . . . ?
Ag1 P015 C02E C01T -136.5(12) . . . . ?
Ag1 P015 C03T C47 -159.5(13) . . . . ?
Ag1 P015 C03T C039 25(2) . . . . ?
Ag06 S00Q C01N C01M -60.6(13) . . . . ?
Ag06 S00Q C01N C021 127.7(10) . . . . ?
Ag07 S00J C048 C03Y -162.8(10) . . . . ?
Ag07 S00J C048 C04J 14.7(15) . . . . ?
Ag07 Cl13 C04J C048 -19.3(16) . . . . ?
Ag07 Cl13 C04J C45 163.7(11) . . . . ?
Ag08 S00R C03B C03Z -41.3(13) . . . . ?
Ag08 S00R C03B C02R 141.7(9) . . . . ?
Ag09 S00K C028 C049 131.3(9) . . . . ?
Ag09 S00K C028 C024 -55.6(12) . . . . ?
Ag0A S00L C02O C01U -174.9(9) . . . . ?
Ag0A S00L C02O C02T 4.9(17) . . . . ?
Ag0B S00M C02B C040 -41.2(12) . . . . ?
Ag0B S00M C02B C03S 142.9(10) . . . . ?
Ag0C S00Y C034 C04K -35.8(16) . . . . ?
Ag0C S00Y C034 C03C 148.9(11) . . . . ?
Ag0D S00Z C02C C02U 121.5(10) . . . . ?
Ag0D S00Z C02C C03D -62.0(12) . . . . ?
Ag0E S00L C02O C01U 103.5(12) . . . . ?
Ag0E S00L C02O C02T -76.7(14) . . . . ?
Ag0E S00M C02B C040 -126.8(9) . . . . ?
Ag0E S00M C02B C03S 57.4(13) . . . . ?
Ag0E S00Q C01N C01M -140.5(10) . . . . ?
Ag0E S00Q C01N C021 47.8(13) . . . . ?
Ag0F S00K C028 C049 48.9(12) . . . . ?
Ag0F S00K C028 C024 -138.0(9) . . . . ?
Ag0F S00R C03B C03Z -121.8(10) . . . . ?
Ag0F S00R C03B C02R 61.3(11) . . . . ?
Ag0G S00J C048 C03Y 114.2(12) . . . . ?
Ag0G S00J C048 C04J -68.3(15) . . . . ?
Ag0G S00Y C034 C04K -117.4(12) . . . . ?
Ag0G S00Y C034 C03C 67.3(15) . . . . ?
Ag0G S00Z C02C C02U 46.8(11) . . . . ?
Ag0G S00Z C02C C03D -136.7(10) . . . . ?
Ag0G Cl9 C02U C02C -41.3(11) . . . . ?
Ag0G Cl9 C02U C02X 143.0(10) . . . . ?
P00H C01I C01O C02J 177.0(16) . . . . ?
P00H C01I C02P C03U -176.9(16) . . . . ?
P00H C01K C02N O01B -6.7(16) . . . . ?
P00H C01K C02N C029 179.9(14) . . . . ?
P00H C01K C022 C035 -179.9(14) . . . . ?
P00H C01Z C04D C02Z -178.3(17) . . . . ?
P00H C01Z C01Q C037 178.4(17) . . . . ?
P00I C01L C03G C042 -178.6(17) . . . . ?
P00I C01L C01J O01B -5.2(19) . . . . ?
P00I C01L C01J C02H 178.7(16) . . . . ?
P00I C01R C036 C04C 177.4(14) . . . . ?
P00I C01R C02D C03V -177.4(14) . . . . ?
P00I C01W C04A C031 -172.6(16) . . . . ?
P00I C01W C01V C02Y 172.6(16) . . . . ?
S00J C048 C03Y Cl12 -2.6(18) . . . . ?
S00J C048 C03Y C03E 177.5(18) . . . . ?
S00J C048 C04J Cl13 6(2) . . . . ?
S00J C048 C04J C45 -177.4(18) . . . . ?
S00K C028 C049 Cl -2.9(16) . . . . ?
S00K C028 C049 C026 173.2(15) . . . . ?
S00K C028 C024 Cl1 3.4(15) . . . . ?
S00K C028 C024 C025 -173.0(15) . . . . ?
S00L C02O C01U Cl6 -2.5(18) . . . . ?
S00L C02O C01U C03Q 179.8(18) . . . . ?
S00L C02O C02T Cl7 -1.2(19) . . . . ?
S00L C02O C02T C027 -179.8(19) . . . . ?
S00M C02B C040 Cl14 2.8(16) . . . . ?
S00M C02B C040 C03N -175.9(15) . . . . ?
S00M C02B C03S Cl15 -11.1(16) . . . . ?
S00M C02B C03S C02W 175.7(16) . . . . ?
Cl2 C03Z C04G C04Q 177.8(15) . . . . ?
Cl6 C01U C03Q C02S -177.8(18) . . . . ?
S00Q C01N C01M Cl5 7.7(17) . . . . ?
S00Q C01N C01M C03M -171.7(16) . . . . ?
S00Q C01N C021 Cl4 -8.2(17) . . . . ?
S00Q C01N C021 C045 171.6(17) . . . . ?
S00R C03B C03Z Cl2 5.4(16) . . . . ?
S00R C03B C03Z C04G -176.9(15) . . . . ?
S00R C03B C02R Cl3 -9.0(16) . . . . ?
S00R C03B C02R C03K 176.9(15) . . . . ?
Cl14 C040 C03N C04B -178.8(15) . . . . ?
Cl10 C04K C03J C03W -175.5(19) . . . . ?
P00W C03A C03R C02G 173.5(16) . . . . ?
P00W C03A C041 C046 -173.0(17) . . . . ?
P00W C03P C01S C032 -177(2) . . . . ?
P00W C03P C04I C04L 177(2) . . . . ?
P00W C047 C49 C15 179(2) . . . . ?
P00W C047 C26 O01H 5(3) . . . . ?
P00W C047 C26 C80 -179(2) . . . . ?
S00Y C034 C04K Cl10 -0.2(19) . . . . ?
S00Y C034 C04K C03J -175(2) . . . . ?
S00Y C034 C03C Cl11 -7(2) . . . . ?
S00Y C034 C03C C04E 175(2) . . . . ?
S00Z C02C C03D Cl8 6.8(16) . . . . ?
S00Z C02C C03D C02V -176.4(15) . . . . ?
Cl5 C01M C03M C04T -179.4(16) . . . . ?
Cl9 C02U C02C S00Z 0.9(15) . . . . ?
Cl9 C02U C02C C03D -175.6(16) . . . . ?
Cl9 C02U C02X C023 175.9(15) . . . . ?
Cl C049 C026 C03H 176.5(15) . . . . ?
Cl8 C03D C02V C023 177.0(15) . . . . ?
P015 C02K C04R C04O 178.0(18) . . . . ?
P015 C02K C020 C02I -178.0(18) . . . . ?
P015 C02E C01T C04U -177.5(19) . . . . ?
P015 C03T C47 C29 -175(2) . . . . ?
P015 C03T C039 C03F 175(2) . . . . ?
Cl12 C03Y C03E C03L -180(2) . . . . ?
O01B C02N C029 C033 -172.6(19) . . . . ?
O01H C02Q C02E P015 3(2) . . . . ?
O01H C02Q C02E C01T -174(2) . . . . ?
O01H C02Q C04M C71 173(3) . . . . ?
C01I P00H C01K C02N -73.0(13) . . . . ?
C01I P00H C01K C022 106.9(12) . . . . ?
C01I P00H C01Z C04D -12.3(15) . . . . ?
C01I P00H C01Z C01Q 169.3(12) . . . . ?
C01I C01O C02J C01X 0.0 . . . . ?
C01O C01I C02P C03U 0.0 . . . . ?
C01O C02J C01X C03U 0.0 . . . . ?
C02J C01X C03U C02P 0.0 . . . . ?
C01X C03U C02P C01I 0.0 . . . . ?
C02P C01I C01O C02J 0.0 . . . . ?
C01K P00H C01I C01O 152.3(12) . . . . ?
C01K P00H C01I C02P -30.7(14) . . . . ?
C01K P00H C01Z C04D 95.5(14) . . . . ?
C01K P00H C01Z C01Q -82.9(14) . . . . ?
C01K C02N C029 C033 0.0 . . . . ?
C02N O01B C01J C01L 138.6(16) . . . . ?
C02N O01B C01J C02H -45(2) . . . . ?
C02N C01K C022 C035 0.0 . . . . ?
C02N C029 C033 C035 0.0 . . . . ?
C029 C033 C035 C022 0.0 . . . . ?
C033 C035 C022 C01K 0.0 . . . . ?
C022 C01K C02N O01B 173.4(17) . . . . ?
C022 C01K C02N C029 0.0 . . . . ?
C01L P00I C01R C036 -91.1(13) . . . . ?
C01L P00I C01R C02D 86.2(13) . . . . ?
C01L P00I C01W C04A -19.6(15) . . . . ?
C01L P00I C01W C01V 167.8(12) . . . . ?
C01L C03G C042 C030 0.0 . . . . ?
C03G C01L C01J O01B 176(2) . . . . ?
C03G C01L C01J C02H 0.0 . . . . ?
C03G C042 C030 C02H 0.0 . . . . ?
C042 C030 C02H C01J 0.0 . . . . ?
C030 C02H C01J O01B -176(2) . . . . ?
C030 C02H C01J C01L 0.0 . . . . ?
C01J O01B C02N C01K 138.6(16) . . . . ?
C01J O01B C02N C029 -48(2) . . . . ?
C01J C01L C03G C042 0.0 . . . . ?
C01N C01M C03M C04T 0.0 . . . . ?
C01M C01N C021 Cl4 -179.8(18) . . . . ?
C01M C01N C021 C045 0.0 . . . . ?
C01M C03M C04T C045 0.0 . . . . ?
C03M C04T C045 C021 0.0 . . . . ?
C04T C045 C021 Cl4 179.8(17) . . . . ?
C04T C045 C021 C01N 0.0 . . . . ?
C021 C01N C01M Cl5 179.4(17) . . . . ?
C021 C01N C01M C03M 0.0 . . . . ?
C01R P00I C01L C03G -5.0(15) . . . . ?
C01R P00I C01L C01J 176.4(12) . . . . ?
C01R P00I C01W C04A 86.6(13) . . . . ?
C01R P00I C01W C01V -86.0(13) . . . . ?
C01R C036 C04C C02M 0.0 . . . . ?
C036 C01R C02D C03V 0.0 . . . . ?
C036 C04C C02M C03V 0.0 . . . . ?
C04C C02M C03V C02D 0.0 . . . . ?
C02M C03V C02D C01R 0.0 . . . . ?
C02D C01R C036 C04C 0.0 . . . . ?
C01W P00I C01L C03G 103.7(14) . . . . ?
C01W P00I C01L C01J -75.0(13) . . . . ?
C01W P00I C01R C036 159.5(11) . . . . ?
C01W P00I C01R C02D -23.1(13) . . . . ?
C01W C04A C031 C03O 0.0 . . . . ?
C04A C01W C01V C02Y 0.0 . . . . ?
C04A C031 C03O C02Y 0.0 . . . . ?
C031 C03O C02Y C01V 0.0 . . . . ?
C03O C02Y C01V C01W 0.0 . . . . ?
C01V C01W C04A C031 0.0 . . . . ?
C01Z P00H C01I C01O -98.4(14) . . . . ?
C01Z P00H C01I C02P 78.6(14) . . . . ?
C01Z P00H C01K C02N 176.6(11) . . . . ?
C01Z P00H C01K C022 -3.5(14) . . . . ?
C01Z C04D C02Z C02L 0.0 . . . . ?
C04D C01Z C01Q C037 0.0 . . . . ?
C04D C02Z C02L C037 0.0 . . . . ?
C02Z C02L C037 C01Q 0.0 . . . . ?
C02L C037 C01Q C01Z 0.0 . . . . ?
C01Q C01Z C04D C02Z 0.0 . . . . ?
C028 C049 C026 C03H 0.0 . . . . ?
C049 C028 C024 Cl1 176.4(15) . . . . ?
C049 C028 C024 C025 0.0 . . . . ?
C049 C026 C03H C025 0.0 . . . . ?
C026 C03H C025 C024 0.0 . . . . ?
C03H C025 C024 Cl1 -176.4(15) . . . . ?
C03H C025 C024 C028 0.0 . . . . ?
C024 C028 C049 Cl -176.1(16) . . . . ?
C024 C028 C049 C026 0.0 . . . . ?
C02B C040 C03N C04B 0.0 . . . . ?
C040 C02B C03S Cl15 173.2(16) . . . . ?
C040 C02B C03S C02W 0.0 . . . . ?
C040 C03N C04B C02W 0.0 . . . . ?
C03N C04B C02W C03S 0.0 . . . . ?
C04B C02W C03S Cl15 -173.3(15) . . . . ?
C04B C02W C03S C02B 0.0 . . . . ?
C03S C02B C040 Cl14 178.7(16) . . . . ?
C03S C02B C040 C03N 0.0 . . . . ?
C02K P015 C02E C02Q 171.9(15) . . . . ?
C02K P015 C02E C01T -10.7(18) . . . . ?
C02K P015 C03T C47 81.9(18) . . . . ?
C02K P015 C03T C039 -93.1(18) . . . . ?
C02K C04R C04O C04P 0.0 . . . . ?
C04R C02K C020 C02I 0.0 . . . . ?
C04R C04O C04P C02I 0.0 . . . . ?
C04O C04P C02I C020 0.0 . . . . ?
C04P C02I C020 C02K 0.0 . . . . ?
C020 C02K C04R C04O 0.0 . . . . ?
C02O C01U C03Q C02S 0.0 . . . . ?
C01U C02O C02T Cl7 178.6(19) . . . . ?
C01U C02O C02T C027 0.0 . . . . ?
C01U C03Q C02S C027 0.0 . . . . ?
C03Q C02S C027 C02T 0.0 . . . . ?
C02S C027 C02T Cl7 -178.7(17) . . . . ?
C02S C027 C02T C02O 0.0 . . . . ?
C02T C02O C01U Cl6 177.7(19) . . . . ?
C02T C02O C01U C03Q 0.0 . . . . ?
C02Q O01H C26 C047 109(3) . . . . ?
C02Q O01H C26 C80 -68(3) . . . . ?
C02Q C02E C01T C04U 0.0 . . . . ?
C02E P015 C02K C04R 74.7(17) . . . . ?
C02E P015 C02K C020 -107.3(15) . . . . ?
C02E P015 C03T C47 -31(2) . . . . ?
C02E P015 C03T C039 153.5(16) . . . . ?
C02E C02Q C04M C71 0.0 . . . . ?
C02E C01T C04U C71 0.0 . . . . ?
C01T C04U C71 C04M 0.0 . . . . ?
C04U C71 C04M C02Q 0.0 . . . . ?
C04M C02Q C02E P015 177(2) . . . . ?
C04M C02Q C02E C01T 0.0 . . . . ?
C02U C02C C03D Cl8 -176.8(16) . . . . ?
C02U C02C C03D C02V 0.0 . . . . ?
C02C C02U C02X C023 0.0 . . . . ?
C02C C03D C02V C023 0.0 . . . . ?
C03D C02V C023 C02X 0.0 . . . . ?
C02V C023 C02X C02U 0.0 . . . . ?
C02X C02U C02C S00Z 176.5(15) . . . . ?
C02X C02U C02C C03D 0.0 . . . . ?
C034 C04K C03J C03W 0.0 . . . . ?
C04K C034 C03C Cl11 177(2) . . . . ?
C04K C034 C03C C04E 0.0 . . . . ?
C04K C03J C03W C04E 0.0 . . . . ?
C03J C03W C04E C03C 0.0 . . . . ?
C03W C04E C03C Cl11 -177(2) . . . . ?
C03W C04E C03C C034 0.0 . . . . ?
C03C C034 C04K Cl10 175(2) . . . . ?
C03C C034 C04K C03J 0.0 . . . . ?
C03A P00W C03P C01S -107.7(15) . . . . ?
C03A P00W C03P C04I 74.9(16) . . . . ?
C03A P00W C047 C49 -10(2) . . . . ?
C03A P00W C047 C26 169.0(14) . . . . ?
C03A C03R C02G C04H 0.0 . . . . ?
C03R C03A C041 C046 0.0 . . . . ?
C03R C02G C04H C046 0.0 . . . . ?
C02G C04H C046 C041 0.0 . . . . ?
C04H C046 C041 C03A 0.0 . . . . ?
C041 C03A C03R C02G 0.0 . . . . ?
C03B C03Z C04G C04Q 0.0 . . . . ?
C03Z C03B C02R Cl3 174.1(17) . . . . ?
C03Z C03B C02R C03K 0.0 . . . . ?
C03Z C04G C04Q C03K 0.0 . . . . ?
C04G C04Q C03K C02R 0.0 . . . . ?
C04Q C03K C02R Cl3 -174.4(16) . . . . ?
C04Q C03K C02R C03B 0.0 . . . . ?
C02R C03B C03Z Cl2 -177.7(16) . . . . ?
C02R C03B C03Z C04G 0.0 . . . . ?
C03P P00W C03A C03R -178.7(12) . . . . ?
C03P P00W C03A C041 -5.5(17) . . . . ?
C03P P00W C047 C49 101.2(18) . . . . ?
C03P P00W C047 C26 -79.6(17) . . . . ?
C03P C01S C032 C62 0.0 . . . . ?
C01S C03P C04I C04L 0.0 . . . . ?
C01S C032 C62 C04L 0.0 . . . . ?
C032 C62 C04L C04I 0.0 . . . . ?
C62 C04L C04I C03P 0.0 . . . . ?
C04I C03P C01S C032 0.0 . . . . ?
C03T P015 C02K C04R -34.2(17) . . . . ?
C03T P015 C02K C020 143.8(15) . . . . ?
C03T P015 C02E C02Q -81.0(18) . . . . ?
C03T P015 C02E C01T 96.4(17) . . . . ?
C03T C47 C29 C044 0.0 . . . . ?
C47 C03T C039 C03F 0.0 . . . . ?
C47 C29 C044 C03F 0.0 . . . . ?
C29 C044 C03F C039 0.0 . . . . ?
C044 C03F C039 C03T 0.0 . . . . ?
C039 C03T C47 C29 0.0 . . . . ?
C047 P00W C03A C03R -70.2(15) . . . . ?
C047 P00W C03A C041 103.0(16) . . . . ?
C047 P00W C03P C01S 141.2(17) . . . . ?
C047 P00W C03P C04I -36.2(19) . . . . ?
C047 C49 C15 C25 0.0 . . . . ?
C49 C047 C26 O01H -176(3) . . . . ?
C49 C047 C26 C80 0.0 . . . . ?
C49 C15 C25 C80 0.0 . . . . ?
C15 C25 C80 C26 0.0 . . . . ?
C25 C80 C26 O01H 176(3) . . . . ?
C25 C80 C26 C047 0.0 . . . . ?
C26 O01H C02Q C02E 150(3) . . . . ?
C26 O01H C02Q C04M -23(4) . . . . ?
C26 C047 C49 C15 0.0 . . . . ?
C048 C03Y C03E C03L 0.0 . . . . ?
C03Y C048 C04J Cl13 -177(2) . . . . ?
C03Y C048 C04J C45 0.0 . . . . ?
C03Y C03E C03L C45 0.0 . . . . ?
C03E C03L C45 C04J 0.0 . . . . ?
C03L C45 C04J Cl13 177.1(19) . . . . ?
C03L C45 C04J C048 0.0 . . . . ?
C04J C048 C03Y Cl12 180(2) . . . . ?
C04J C048 C03Y C03E 0.0 . . . . ?
Au1 P00I C01L C03G -127.9(11) . . . . ?
Au1 P00I C01L C01J 53.4(13) . . . . ?
Au1 P00I C01R C036 34.1(12) . . . . ?
Au1 P00I C01R C02D -148.5(9) . . . . ?
Au1 P00I C01W C04A -149.0(9) . . . . ?
Au1 P00I C01W C01V 38.4(13) . . . . ?
Au2 P015 C02K C04R -156.1(11) . . . . ?
Au2 P015 C02K C020 22.0(15) . . . . ?
Au2 P015 C02E C02Q 46.1(17) . . . . ?
Au2 P015 C02E C01T -136.5(12) . . . . ?
Au2 P015 C03T C47 -159.5(13) . . . . ?
Au2 P015 C03T C039 25(2) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 -0.043 -0.212 0.094 305.1 77.2 ?
2 0.043 0.212 0.906 305.1 72.1 ?
3 0.043 0.288 0.406 305.1 74.6 ?
4 -0.043 0.712 0.594 305.1 74.6 ?
5 0.250 0.750 0.750 793.7 202.4 ?
6 0.250 0.750 0.250 793.7 202.4 ?
7 0.152 0.111 0.560 124.5 43.3 ?
8 0.152 0.389 0.060 124.5 43.3 ?
9 0.250 0.222 1.000 50.2 8.1 ?
10 0.250 0.278 0.500 50.2 8.5 ?
11 0.348 0.389 0.940 124.5 37.2 ?
12 0.348 0.111 0.440 124.5 37.2 ?
13 0.457 0.212 0.094 305.1 74.6 ?
14 0.457 0.288 0.594 305.1 77.2 ?
15 0.543 0.712 0.406 305.1 72.1 ?
16 0.543 0.788 0.906 305.1 74.6 ?
17 0.750 0.250 0.250 793.7 202.4 ?
18 0.750 0.250 0.750 793.7 202.4 ?
19 0.652 0.611 0.060 124.5 43.3 ?
20 0.652 0.889 0.560 124.5 43.3 ?
21 0.750 0.722 0.500 50.2 8.1 ?
22 0.750 0.778 0.000 50.2 8.5 ?
23 0.848 0.889 0.440 124.5 37.2 ?
24 0.848 0.611 0.940 124.5 37.2 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_1_CCDC2
_database_code_depnum_ccdc_archive 'CCDC 2262061'
loop_
_audit_author_name
_audit_author_address
'Xuejuan Zou'
;Anhui University
China
;
_audit_update_record             
;
2023-05-10 deposited with the CCDC.	2023-08-08 downloaded from the CCDC.
;
_audit_creation_date             2023-05-10
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C127.655 H110.725 Ag11 Au5 Cl5.345 O2 P4 S8'
_chemical_formula_sum            'C127.65 H110.72 Ag11 Au5 Cl5.35 O2 P4 S8'
_chemical_formula_weight         4417.98
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -4.4197 7.2980 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   15.839(2)
_cell_length_b                   21.943(3)
_cell_length_c                   23.474(2)
_cell_angle_alpha                87.071(9)
_cell_angle_beta                 83.398(9)
_cell_angle_gamma                78.741(10)
_cell_volume                     7944.8(16)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    59041
_cell_measurement_temperature    120
_cell_measurement_theta_max      69.71
_cell_measurement_theta_min      4.81
_shelx_estimated_absorpt_T_max   0.314
_shelx_estimated_absorpt_T_min   0.182
_exptl_absorpt_coefficient_mu    21.536
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.4354
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
STOE LANA, absorption correction by scaling of reflection intensities.
J. Koziskova, F. Hahn, J. Richter, J. Kozisek, "Comparison of different
absorption corrections on the model structure of tetrakis(μ₂-acetato)-
diaqua-di-copper(II)", Acta Chimica Slovaca, vol. 9, no. 2, 2016, pp. 136 - 140.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            black
_exptl_crystal_colour_primary    black
_exptl_crystal_density_diffrn    1.847
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4167
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
8 15 3 0.0818
4 9 10 0.0784
9 -30 20 0.0658
3 -10 -7 0.0962
6 3 -10 0.1040
3 30 1 0.0512
0 14 15 0.0777
-30 7 0 0.1430
-9 -15 -1 0.0727
-7 -3 -15 0.1021
-3 11 -15 0.0765
-17 -2 30 0.1035
-3 -30 10 0.0493
2 1 -15 0.0792

_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.097
_exptl_crystal_size_min          0.07
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0618
_diffrn_reflns_av_unetI/netI     0.0837
_diffrn_reflns_Laue_measured_fraction_full 0.974
_diffrn_reflns_Laue_measured_fraction_max 0.974
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            66857
_diffrn_reflns_point_group_measured_fraction_full 0.974
_diffrn_reflns_point_group_measured_fraction_max 0.974
_diffrn_reflns_theta_full        62.497
_diffrn_reflns_theta_max         62.497
_diffrn_reflns_theta_min         5.730
_diffrn_ambient_temperature      120
_diffrn_detector                 Pilatus300K
_diffrn_detector_area_resol_mean 5.81
_diffrn_detector_type            'DECTRIS PILATUS 300K'
_diffrn_measured_fraction_theta_full 0.974
_diffrn_measured_fraction_theta_max 0.974
_diffrn_measurement_details      '2201 frames, detector distance = 60 mm'
_diffrn_measurement_device       'Eulerian 4-circle diffractometer'
_diffrn_measurement_device_type  'STOE STADIVARI'
_diffrn_measurement_method       'rotation method, ω scans'
_diffrn_radiation_collimation    '1.2 mm, 0.6 diameter'
_diffrn_radiation_monochromator  'Graded multilayer mirror'
_diffrn_radiation_polarisn_norm  270
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54186
_diffrn_source                   'GeniX 3D HF Cu'
_diffrn_source_current           0.600
_diffrn_source_power             0.030
_diffrn_source_voltage           50
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                15236
_reflns_number_total             24655
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'X-Area Recipe 1.33.0.0 (STOE, 2015)'
_computing_data_collection       'X-Area Pilatus3_SV 1.31.153.0 (STOE, 2018)'
_computing_data_reduction        
;
X-Area Integrate 1.74.2.0 (STOE, 2018)
X-Area LANA 1.75.3.0 (STOE, 2018)
;
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         2.704
_refine_diff_density_min         -2.709
_refine_diff_density_rms         0.230
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.925
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1490
_refine_ls_number_reflns         24655
_refine_ls_number_restraints     1633
_refine_ls_R_factor_all          0.0914
_refine_ls_R_factor_gt           0.0656
_refine_ls_restrained_S_all      0.907
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1100P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1686
_refine_ls_wR_factor_ref         0.1810
_refine_special_details          ?
_olex2_refinement_description    
;
1. Shared sites
{Cl1A, C1B}
{Cl2A, C2B}
{C4B, Cl4A}
{C, Cl}
{Cl7A, C7B}
{C1, Cl1}
{C2, Cl2}
{Cl3A, C3B}
{Cl5A, C5B}
{C6B, Cl6A}
{C8B, Cl8A}
{Cl3, C3}
{C0, Cl6}
{C4, Cl4}
{Cl5, C5}
{Cl9A, C9B}
2. Restrained distances
 H2B-Ag0C
 2.5 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
C2 \\sim C1B \\sim C2B \\sim C3B \\sim C4B \\sim C \\sim C5B \\sim C6B \\sim
C7B \\sim C01A \\sim C01C \\sim C01E \\sim C01F \\sim C01G \\sim C01H \\sim
C01I \\sim C01K \\sim C01L \\sim C01M \\sim C01O \\sim C01P \\sim C01Q \\sim
C8B \\sim C01S \\sim C01U \\sim C01V \\sim C01W \\sim C01X \\sim C01Z \\sim
C020 \\sim C021 \\sim C022 \\sim C023 \\sim C024 \\sim C025 \\sim C026 \\sim
C027 \\sim C4 \\sim C02A \\sim C02B \\sim C02C \\sim C5 \\sim C02E \\sim C02F
\\sim C02G \\sim C02H \\sim C02I \\sim C02K \\sim C02L \\sim C02O \\sim C02P
\\sim C02Q \\sim C02R \\sim C04A \\sim C03L \\sim C03Y \\sim C028 \\sim C02N
\\sim C02S \\sim C02T \\sim C02U \\sim C02V \\sim C02W \\sim C02X \\sim C02Y
\\sim C02Z \\sim C0 \\sim C031 \\sim C032 \\sim C033 \\sim C034 \\sim C035
\\sim C036 \\sim C037 \\sim C038 \\sim C039 \\sim C03A \\sim C03B \\sim C03C
\\sim C03D \\sim C03E \\sim C03F \\sim C03H \\sim C03I \\sim C03J \\sim C03K
\\sim C03M \\sim C03N \\sim C3 \\sim C9B \\sim C03Q \\sim C03R \\sim C03S \\sim
C03T \\sim C03U \\sim C03V \\sim C03W \\sim C03X \\sim C03Z \\sim C040 \\sim
C041 \\sim C042 \\sim C044 \\sim C045 \\sim C046 \\sim C047 \\sim C049 \\sim
C04B \\sim C04C \\sim C04D \\sim C04E \\sim C1 \\sim C04G \\sim C04I \\sim C04J
\\sim C04K \\sim C04L \\sim C04N \\sim C04O \\sim C04U \\sim C050 \\sim C110
\\sim C167 \\sim C054 \\sim C04P \\sim C04R \\sim C04S \\sim C04T \\sim C04V
\\sim C04Y \\sim C73 \\sim C58 \\sim C04W \\sim C122 \\sim C04Q \\sim C048:
within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02 within 2A
Uanis(C2) \\sim Ueq, Uanis(C1B) \\sim Ueq, Uanis(C2B) \\sim Ueq, Uanis(C3B)
\\sim Ueq, Uanis(C4B) \\sim Ueq, Uanis(C) \\sim Ueq, Uanis(C5B) \\sim Ueq,
Uanis(C6B) \\sim Ueq, Uanis(C7B) \\sim Ueq, Uanis(C01A) \\sim Ueq, Uanis(C01C)
\\sim Ueq, Uanis(C01E) \\sim Ueq, Uanis(C01F) \\sim Ueq, Uanis(C01G) \\sim Ueq,
Uanis(C01H) \\sim Ueq, Uanis(C01I) \\sim Ueq, Uanis(C01K) \\sim Ueq,
Uanis(C01L) \\sim Ueq, Uanis(C01M) \\sim Ueq, Uanis(C01O) \\sim Ueq,
Uanis(C01P) \\sim Ueq, Uanis(C01Q) \\sim Ueq, Uanis(C8B) \\sim Ueq, Uanis(C01S)
\\sim Ueq, Uanis(C01U) \\sim Ueq, Uanis(C01V) \\sim Ueq, Uanis(C01W) \\sim Ueq,
Uanis(C01X) \\sim Ueq, Uanis(C01Z) \\sim Ueq, Uanis(C020) \\sim Ueq,
Uanis(C021) \\sim Ueq, Uanis(C022) \\sim Ueq, Uanis(C023) \\sim Ueq,
Uanis(C024) \\sim Ueq, Uanis(C025) \\sim Ueq, Uanis(C026) \\sim Ueq,
Uanis(C027) \\sim Ueq, Uanis(C4) \\sim Ueq, Uanis(C02A) \\sim Ueq, Uanis(C02B)
\\sim Ueq, Uanis(C02C) \\sim Ueq, Uanis(C5) \\sim Ueq, Uanis(C02E) \\sim Ueq,
Uanis(C02F) \\sim Ueq, Uanis(C02G) \\sim Ueq, Uanis(C02H) \\sim Ueq,
Uanis(C02I) \\sim Ueq, Uanis(C02K) \\sim Ueq, Uanis(C02L) \\sim Ueq,
Uanis(C02O) \\sim Ueq, Uanis(C02P) \\sim Ueq, Uanis(C02Q) \\sim Ueq,
Uanis(C02R) \\sim Ueq, Uanis(C04A) \\sim Ueq, Uanis(C03L) \\sim Ueq,
Uanis(C03Y) \\sim Ueq, Uanis(C028) \\sim Ueq, Uanis(C02N) \\sim Ueq,
Uanis(C02S) \\sim Ueq, Uanis(C02T) \\sim Ueq, Uanis(C02U) \\sim Ueq,
Uanis(C02V) \\sim Ueq, Uanis(C02W) \\sim Ueq, Uanis(C02X) \\sim Ueq,
Uanis(C02Y) \\sim Ueq, Uanis(C02Z) \\sim Ueq, Uanis(C0) \\sim Ueq, Uanis(C031)
\\sim Ueq, Uanis(C032) \\sim Ueq, Uanis(C033) \\sim Ueq, Uanis(C034) \\sim Ueq,
Uanis(C035) \\sim Ueq, Uanis(C036) \\sim Ueq, Uanis(C037) \\sim Ueq,
Uanis(C038) \\sim Ueq, Uanis(C039) \\sim Ueq, Uanis(C03A) \\sim Ueq,
Uanis(C03B) \\sim Ueq, Uanis(C03C) \\sim Ueq, Uanis(C03D) \\sim Ueq,
Uanis(C03E) \\sim Ueq, Uanis(C03F) \\sim Ueq, Uanis(C03H) \\sim Ueq,
Uanis(C03I) \\sim Ueq, Uanis(C03J) \\sim Ueq, Uanis(C03K) \\sim Ueq,
Uanis(C03M) \\sim Ueq, Uanis(C03N) \\sim Ueq, Uanis(C3) \\sim Ueq, Uanis(C9B)
\\sim Ueq, Uanis(C03Q) \\sim Ueq, Uanis(C03R) \\sim Ueq, Uanis(C03S) \\sim Ueq,
Uanis(C03T) \\sim Ueq, Uanis(C03U) \\sim Ueq, Uanis(C03V) \\sim Ueq,
Uanis(C03W) \\sim Ueq, Uanis(C03X) \\sim Ueq, Uanis(C03Z) \\sim Ueq,
Uanis(C040) \\sim Ueq, Uanis(C041) \\sim Ueq, Uanis(C042) \\sim Ueq,
Uanis(C044) \\sim Ueq, Uanis(C045) \\sim Ueq, Uanis(C046) \\sim Ueq,
Uanis(C047) \\sim Ueq, Uanis(C049) \\sim Ueq, Uanis(C04B) \\sim Ueq,
Uanis(C04C) \\sim Ueq, Uanis(C04D) \\sim Ueq, Uanis(C04E) \\sim Ueq, Uanis(C1)
\\sim Ueq, Uanis(C04G) \\sim Ueq, Uanis(C04I) \\sim Ueq, Uanis(C04J) \\sim Ueq,
Uanis(C04K) \\sim Ueq, Uanis(C04L) \\sim Ueq, Uanis(C04N) \\sim Ueq,
Uanis(C04O) \\sim Ueq, Uanis(C04U) \\sim Ueq, Uanis(C050) \\sim Ueq,
Uanis(C110) \\sim Ueq, Uanis(C167) \\sim Ueq, Uanis(C054) \\sim Ueq,
Uanis(C04P) \\sim Ueq, Uanis(C04R) \\sim Ueq, Uanis(C04S) \\sim Ueq,
Uanis(C04T) \\sim Ueq, Uanis(C04V) \\sim Ueq, Uanis(C04Y) \\sim Ueq, Uanis(C73)
\\sim Ueq, Uanis(C58) \\sim Ueq, Uanis(C04W) \\sim Ueq, Uanis(C122) \\sim Ueq,
Uanis(C04Q) \\sim Ueq, Uanis(C048) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(Cl3A) = Uanis(C3B)
Uanis(Cl1A) = Uanis(C1B)
Uanis(Cl2A) = Uanis(C2B)
Uanis(C4B) = Uanis(Cl4A)
Uanis(C) = Uanis(Cl)
Uanis(Cl7A) = Uanis(C7B)
Uanis(C1) = Uanis(Cl1)
Uanis(C2) = Uanis(Cl2)
Uanis(Cl5A) = Uanis(C5B)
Uanis(C6B) = Uanis(Cl6A)
Uanis(C8B) = Uanis(Cl8A)
Uanis(Cl3) = Uanis(C3)
Uanis(C0) = Uanis(Cl6)
Uanis(C4) = Uanis(Cl4)
Uanis(Cl5) = Uanis(C5)
Uanis(Cl9A) = Uanis(C9B)
4. Others
 Sof(C1B)=Sof(H1BA)=Sof(H1BB)=Sof(H1BC)=1-FVAR(1)
 Sof(Cl1A)=FVAR(1)
 Sof(C2B)=Sof(H2BB)=Sof(H2BC)=1-FVAR(2)
 Sof(Cl2A)=FVAR(2)
 Sof(Cl4A)=1-FVAR(3)
 Sof(C4B)=Sof(H4BA)=Sof(H4BB)=Sof(H4BC)=FVAR(3)
 Sof(Cl)=1-FVAR(4)
 Sof(C)=Sof(HA)=Sof(HB)=Sof(HC)=FVAR(4)
 Sof(C7B)=Sof(H7BA)=Sof(H7BB)=Sof(H7BC)=1-FVAR(5)
 Sof(Cl7A)=FVAR(5)
 Sof(Cl1)=1-FVAR(6)
 Sof(C1)=Sof(H1A)=Sof(H1B)=Sof(H1C)=FVAR(6)
 Sof(Cl2)=1-FVAR(7)
 Sof(C2)=Sof(H2A)=Sof(H2B)=Sof(H2C)=FVAR(7)
 Sof(C3B)=Sof(H3BA)=Sof(H3BB)=Sof(H3BC)=1-FVAR(8)
 Sof(Cl3A)=FVAR(8)
 Sof(C5B)=Sof(H5BA)=Sof(H5BB)=Sof(H5BC)=1-FVAR(9)
 Sof(Cl5A)=FVAR(9)
 Sof(Cl6A)=1-FVAR(10)
 Sof(C6B)=Sof(H6BA)=Sof(H6BB)=Sof(H6BC)=FVAR(10)
 Sof(Cl8A)=1-FVAR(11)
 Sof(C8B)=Sof(H8BA)=Sof(H8BB)=Sof(H8BC)=FVAR(11)
 Sof(C3)=Sof(H3A)=Sof(H3B)=Sof(H3C)=1-FVAR(12)
 Sof(Cl3)=FVAR(12)
 Sof(Cl6)=1-FVAR(13)
 Sof(C0)=Sof(H0A)=Sof(H0B)=Sof(H0C)=FVAR(13)
 Sof(Cl4)=1-FVAR(14)
 Sof(C4)=Sof(H4A)=Sof(H4B)=Sof(H4C)=FVAR(14)
 Sof(C5)=Sof(H5A)=Sof(H5B)=Sof(H5C)=1-FVAR(15)
 Sof(Cl5)=FVAR(15)
 Sof(C9B)=Sof(H9BA)=Sof(H9BB)=Sof(H9BC)=1-FVAR(16)
 Sof(Cl9A)=FVAR(16)
 Fixed Sof: H2BA(0.5) C73(0.5) C58(0.5) C04W(0.5) H04W(0.5) C122(0.5)
 H122(0.5) C04Q(0.5) H04Q(0.5) C048(0.5)
 Fixed U33: C3B(0.092) Cl3A(0.092)
5.a Aromatic/amide H refined with riding coordinates:
 C01G(H01G), C01I(H01I), C01L(H01L), C01Q(H01Q), C01S(H01S), C01V(H01V),
 C01W(H01W), C01Z(H01Z), C020(H020), C024(H024), C027(H027), C02A(H02A),
 C02C(H02C), C02E(H02E), C02F(H02F), C02H(H02H), C02I(H02I), C02K(H02K),
 C02L(H02L), C02P(H02P), C02Q(H02Q), C03L(H03L), C03Y(H03Y), C028(H028),
 C02T(H02T), C02U(H02U), C02V(H02V), C02W(H02W), C02Y(H02Y), C02Z(H02Z),
 C031(H031), C032(H032), C033(H033), C038(H038), C039(H039), C03A(H03A),
 C03C(H03C), C03D(H03D), C03F(H03F), C03H(H03H), C03I(H03I), C03J(H03J),
 C03K(H03K), C03M(H03M), C03Q(H03Q), C03R(H03R), C03S(H03S), C03U(H03U),
 C03V(H03V), C03X(H03X), C03Z(H03Z), C040(H040), C041(H041), C042(H042),
 C044(H044), C046(H046), C047(H047), C049(H049), C04B(H04B), C04C(H04C),
 C04D(H04D), C04E(H04E), C04G(H04G), C04I(H04I), C04J(H04J), C04K(H04K),
 C04L(H04L), C04N(H04N), C050(H050), C110(H110), C167(H167), C04P(H04P),
 C04R(H04R), C04S(H04S), C04T(H04T), C04V(H04V), C04Y(H04Y), C04W(H04W),
 C122(H122), C04Q(H04Q)
5.b Fitted hexagon refined as free rotating group:
 C02R(C04A,C03L,C03Y,C028,C02N), C04O(C04U,C050,C110,C167,C054), C73(C58,C04W,
 C122,C04Q,C048)
5.c Idealised Me refined as rotating group:
 C2(H2A,H2B,H2C), C1B(H1BA,H1BB,H1BC), C2B(H2BA,H2BB,H2BC), C3B(H3BA,H3BB,
 H3BC), C4B(H4BA,H4BB,H4BC), C(HA,HB,HC), C5B(H5BA,H5BB,H5BC), C6B(H6BA,H6BB,
 H6BC), C7B(H7BA,H7BB,H7BC), C8B(H8BA,H8BB,H8BC), C4(H4A,H4B,H4C), C5(H5A,H5B,
 H5C), C0(H0A,H0B,H0C), C3(H3A,H3B,H3C), C9B(H9BA,H9BB,H9BC), C1(H1A,H1B,H1C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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
Au01 Au 0.73771(4) 0.74947(3) 0.74424(2) 0.03895(14) Uani 1 1 d . . . . .
Au02 Au 0.60659(4) 0.83747(3) 0.71069(2) 0.04211(15) Uani 1 1 d . . . . .
Au03 Au 0.82124(4) 0.66664(3) 0.66543(2) 0.04413(16) Uani 1 1 d . . . . .
Au04 Au 0.65722(4) 0.83201(3) 0.82573(2) 0.04850(17) Uani 1 1 d . . . . .
Au05 Au 0.86412(5) 0.65939(3) 0.78205(3) 0.05253(18) Uani 1 1 d . . . . .
Ag06 Ag 0.76225(7) 0.79629(5) 0.63041(4) 0.0415(2) Uani 1 1 d . . . . .
Ag07 Ag 0.90504(7) 0.76215(5) 0.69868(4) 0.0434(2) Uani 1 1 d . . . . .
Ag08 Ag 0.76847(7) 0.87158(5) 0.72651(4) 0.0417(2) Uani 1 1 d . . . . .
Ag09 Ag 0.63526(7) 0.71273(5) 0.66648(4) 0.0440(2) Uani 1 1 d . . . . .
Ag0A Ag 0.84149(7) 0.78613(5) 0.81967(4) 0.0447(3) Uani 1 1 d . . . . .
Ag0B Ag 0.70379(8) 0.62607(5) 0.75348(4) 0.0472(3) Uani 1 1 d . . . . .
Ag0C Ag 0.57012(7) 0.73350(5) 0.78515(4) 0.0469(3) Uani 1 1 d D . . . .
Ag0D Ag 0.71189(8) 0.70366(5) 0.85710(4) 0.0485(3) Uani 1 1 d . . . . .
Ag0E Ag 0.65962(8) 0.75925(6) 0.54737(4) 0.0484(3) Uani 1 1 d . . . . .
Ag0F Ag 0.95229(8) 0.87053(6) 0.75085(4) 0.0522(3) Uani 1 1 d . . . . .
Ag0G Ag 0.58627(11) 0.61110(7) 0.85711(6) 0.0744(4) Uani 1 1 d . . . . .
S00H S 0.9679(3) 0.82384(19) 0.84862(15) 0.0493(9) Uani 1 1 d . . . . .
P00I P 0.9001(3) 0.60116(18) 0.59591(15) 0.0437(9) Uani 1 1 d . . . . .
P00J P 0.4837(2) 0.90513(18) 0.68354(14) 0.0414(8) Uani 1 1 d . . . . .
S00K S 0.5281(3) 0.73671(19) 0.59466(15) 0.0485(9) Uani 1 1 d . . . . .
S00L S 0.8312(3) 0.96379(19) 0.73710(15) 0.0509(9) Uani 1 1 d . . . . .
S00M S 0.8011(3) 0.78121(18) 0.52469(14) 0.0459(8) Uani 1 1 d . . . . .
S00N S 1.0114(3) 0.82418(19) 0.65527(14) 0.0481(9) Uani 1 1 d . . . . .
P00O P 0.9584(3) 0.5776(2) 0.82215(16) 0.0528(10) Uani 1 1 d . . . . .
P00P P 0.5944(3) 0.90585(19) 0.89508(15) 0.0452(9) Uani 1 1 d . . . . .
S00Q S 0.6710(3) 0.5267(2) 0.79376(18) 0.0626(11) Uani 1 1 d . . . . .
S00R S 0.6220(4) 0.6645(2) 0.93876(19) 0.0733(14) Uani 1 1 d . . . . .
C2 C 0.4489(3) 0.7946(3) 0.8713(2) 0.070(2) Uani 0.13(2) 1 d . U P A 15
H2A H 0.464840 0.812173 0.834207 0.104 Uiso 0.13(2) 1 calc R U P A 15
H2B H 0.496470 0.763765 0.882378 0.104 Uiso 0.13(2) 1 calc DR U P A 15
H2C H 0.434941 0.826858 0.898877 0.104 Uiso 0.13(2) 1 calc R U P A 15
S00T S 0.4618(3) 0.6665(2) 0.80140(19) 0.0706(13) Uani 1 1 d . . . . .
C1B C 1.0679(4) 0.6910(3) 0.7250(2) 0.071(2) Uani 0.25(2) 1 d . U P B 4
H1BA H 1.034504 0.722668 0.749477 0.106 Uiso 0.25(2) 1 calc R U P B 4
H1BB H 1.097953 0.658135 0.747903 0.106 Uiso 0.25(2) 1 calc R U P B 4
H1BC H 1.030105 0.674696 0.703168 0.106 Uiso 0.25(2) 1 calc R U P B 4
C2B C 1.1637(4) 0.8755(3) 0.5834(2) 0.070(2) Uani 0.24(2) 1 d . U P C 6
H2BA H 1.109128 0.882124 0.567733 0.104 Uiso 0.5 1 calc R U P C 6
H2BB H 1.209261 0.877251 0.553031 0.104 Uiso 0.24(2) 1 calc R U P C 6
H2BC H 1.162731 0.907217 0.610326 0.104 Uiso 0.24(2) 1 calc R U P C 6
C3B C 0.2961(6) 0.6100(4) 0.8110(3) 0.107(3) Uani 0.26(2) 1 d . U P D 18
H3BA H 0.320770 0.576577 0.835628 0.161 Uiso 0.26(2) 1 calc R U P D 18
H3BB H 0.330401 0.608181 0.774420 0.161 Uiso 0.26(2) 1 calc R U P D 18
H3BC H 0.238088 0.606236 0.805869 0.161 Uiso 0.26(2) 1 calc R U P D 18
C4B C 1.0150(6) 0.9969(4) 0.6904(4) 0.078(4) Uani 0.56(2) 1 d . U P E 7
H4BA H 1.017342 1.030933 0.713948 0.116 Uiso 0.56(2) 1 calc R U P E 7
H4BB H 1.068415 0.986634 0.666076 0.116 Uiso 0.56(2) 1 calc R U P E 7
H4BC H 1.006184 0.961468 0.714462 0.116 Uiso 0.56(2) 1 calc R U P E 7
O010 O 0.4982(7) 0.9518(5) 0.7979(4) 0.054(3) Uani 1 1 d . . . . .
C C 0.6858(6) 1.0057(5) 0.6520(4) 0.076(4) Uani 0.63(2) 1 d . U P F 9
HA H 0.690005 0.961739 0.649070 0.113 Uiso 0.63(2) 1 calc R U P F 9
HB H 0.647420 1.027366 0.625588 0.113 Uiso 0.63(2) 1 calc R U P F 9
HC H 0.663564 1.017833 0.690370 0.113 Uiso 0.63(2) 1 calc R U P F 9
C5B C 1.0508(6) 0.9461(5) 0.8428(4) 0.073(4) Uani 0.67(2) 1 d . U P G 20
H5BA H 1.023913 0.970450 0.812304 0.109 Uiso 0.67(2) 1 calc R U P G 20
H5BB H 1.080900 0.906593 0.828723 0.109 Uiso 0.67(2) 1 calc R U P G 20
H5BC H 1.091161 0.967631 0.856889 0.109 Uiso 0.67(2) 1 calc R U P G 20
C6B C 0.8305(6) 0.8159(5) 0.9557(4) 0.074(4) Uani 0.70(2) 1 d . U P H 21
H6BA H 0.832778 0.798187 0.918808 0.111 Uiso 0.70(2) 1 calc R U P H 21
H6BB H 0.771146 0.829220 0.970802 0.111 Uiso 0.70(2) 1 calc R U P H 21
H6BC H 0.858923 0.785186 0.981329 0.111 Uiso 0.70(2) 1 calc R U P H 21
O017 O 0.9745(8) 0.5410(6) 0.7013(4) 0.064(3) Uani 1 1 d . . . . .
C7B C 0.8053(8) 0.6713(6) 0.9731(5) 0.087(5) Uani 0.75(2) 1 d . U P I 12
H7BA H 0.825551 0.661103 0.933930 0.130 Uiso 0.75(2) 1 calc R U P I 12
H7BB H 0.853712 0.673643 0.993455 0.130 Uiso 0.75(2) 1 calc R U P I 12
H7BC H 0.766214 0.710735 0.974042 0.130 Uiso 0.75(2) 1 calc R U P I 12
C01A C 0.4412(10) 0.9508(7) 0.8484(6) 0.046(3) Uani 1 1 d . U . . .
C01C C 0.7936(10) 0.8503(7) 0.4811(6) 0.045(3) Uani 1 1 d . U . . .
C01E C 0.4811(10) 0.9073(7) 0.6051(6) 0.044(3) Uani 1 1 d . U . . .
C01F C 0.9154(11) 0.5193(8) 0.6140(6) 0.053(3) Uani 1 1 d . U . . .
C01G C 1.0203(11) 0.6775(8) 0.5649(6) 0.053(3) Uani 1 1 d . U . . .
H01G H 0.973051 0.709368 0.573335 0.063 Uiso 1 1 calc R U . . .
C01H C 0.4790(10) 0.9303(7) 0.8964(6) 0.046(3) Uani 1 1 d . U . . .
C01I C 0.4620(9) 1.0345(7) 0.6598(6) 0.044(3) Uani 1 1 d . U . . .
H01I H 0.456924 1.025905 0.622088 0.053 Uiso 1 1 calc R U . . .
C01K C 0.3813(9) 0.8876(7) 0.7115(6) 0.042(3) Uani 1 1 d . U . . .
C01L C 0.4080(10) 0.9014(7) 0.5808(6) 0.049(3) Uani 1 1 d . U . . .
H01L H 0.358241 0.896519 0.604380 0.058 Uiso 1 1 calc R U . . .
C01M C 0.5032(10) 0.6711(7) 0.5604(6) 0.048(3) Uani 1 1 d . U . . .
C01O C 0.4763(10) 0.9855(7) 0.7009(6) 0.043(3) Uani 1 1 d . U . . .
C01P C 0.4812(10) 1.0024(7) 0.7586(6) 0.047(3) Uani 1 1 d . U . . .
C01Q C 0.5825(11) 1.0342(7) 0.9019(6) 0.053(3) Uani 1 1 d . U . . .
H01Q H 0.523598 1.035576 0.911845 0.063 Uiso 1 1 calc R U . . .
C8B C 0.7083(9) 0.4977(6) 0.6639(5) 0.070(6) Uani 0.87(2) 1 d . U P J 23
H8BA H 0.709902 0.540287 0.670216 0.105 Uiso 0.87(2) 1 calc R U P J 23
H8BB H 0.710119 0.491629 0.623543 0.105 Uiso 0.87(2) 1 calc R U P J 23
H8BC H 0.757334 0.471230 0.678526 0.105 Uiso 0.87(2) 1 calc R U P J 23
C01S C 0.9010(11) 0.4141(8) 0.5967(7) 0.055(3) Uani 1 1 d . U . . .
H01S H 0.884022 0.386478 0.573576 0.066 Uiso 1 1 calc R U . . .
C01U C 0.7574(10) 0.8556(7) 0.4279(6) 0.046(3) Uani 1 1 d . U . . .
C01V C 0.4215(10) 0.9244(7) 0.9475(6) 0.049(3) Uani 1 1 d . U . . .
H01V H 0.443295 0.908287 0.981411 0.059 Uiso 1 1 calc R U . . .
C01W C 0.8937(11) 0.4747(8) 0.5804(7) 0.053(3) Uani 1 1 d . U . . .
H01W H 0.873177 0.487432 0.545343 0.064 Uiso 1 1 calc R U . . .
C01X C 0.7808(11) 1.0231(8) 0.6366(7) 0.054(3) Uani 1 1 d . U . . .
C01Z C 0.4777(10) 1.0608(7) 0.7728(6) 0.050(3) Uani 1 1 d . U . . .
H01Z H 0.485720 1.069384 0.809983 0.061 Uiso 1 1 calc R U . . .
C020 C 0.2198(12) 0.8587(8) 0.7468(7) 0.059(3) Uani 1 1 d . U . . .
H020 H 0.166180 0.849647 0.760968 0.071 Uiso 1 1 calc R U . . .
C021 C 0.4877(11) 0.6198(8) 0.5953(7) 0.055(3) Uani 1 1 d . U . . .
C022 C 0.9320(11) 1.0175(7) 0.6495(7) 0.051(3) Uani 1 1 d . U . . .
C023 C 0.8516(10) 1.0000(7) 0.6686(6) 0.047(3) Uani 1 1 d . U . . .
C024 C 0.8841(12) 0.6165(7) 0.4760(6) 0.054(3) Uani 1 1 d . U . . .
H024 H 0.942311 0.619420 0.470747 0.065 Uiso 1 1 calc R U . . .
C025 C 0.8296(10) 0.9001(7) 0.4987(6) 0.049(3) Uani 1 1 d . U . . .
C026 C 1.0517(11) 0.5246(8) 0.7227(7) 0.056(3) Uani 1 1 d . U . . .
C027 C 0.4552(10) 1.0964(7) 0.6757(6) 0.049(3) Uani 1 1 d . U . . .
H027 H 0.446222 1.128744 0.648483 0.059 Uiso 1 1 calc R U . . .
C4 C 0.7207(10) 0.7995(7) 0.4075(6) 0.071(6) Uani 0.90(2) 1 d . U P K 29
H4A H 0.765402 0.762986 0.405533 0.106 Uiso 0.90(2) 1 calc R U P K 29
H4B H 0.701236 0.809416 0.370304 0.106 Uiso 0.90(2) 1 calc R U P K 29
H4C H 0.673004 0.792050 0.434332 0.106 Uiso 0.90(2) 1 calc R U P K 29
C02A C 0.6349(10) 0.9107(8) 1.0076(6) 0.053(3) Uani 1 1 d . U . . .
H02A H 0.647179 0.949662 0.996626 0.064 Uiso 1 1 calc R U . . .
C02B C 1.0089(10) 0.6151(7) 0.5727(6) 0.047(3) Uani 1 1 d . U . . .
C02C C 0.7535(10) 0.9075(7) 0.3947(6) 0.050(3) Uani 1 1 d . U . . .
H02C H 0.728621 0.909969 0.360408 0.060 Uiso 1 1 calc R U . . .
C5 C 0.4963(11) 0.6169(7) 0.6599(6) 0.057(6) Uani 0.98(2) 1 d . U P L 32
H5A H 0.556132 0.612969 0.665794 0.085 Uiso 0.98(2) 1 calc R U P L 32
H5B H 0.474704 0.581600 0.677265 0.085 Uiso 0.98(2) 1 calc R U P L 32
H5C H 0.463490 0.654192 0.676971 0.085 Uiso 0.98(2) 1 calc R U P L 32
C02E C 1.1232(12) 0.4947(8) 0.6895(7) 0.063(3) Uani 1 1 d . U . . .
H02E H 1.118158 0.481155 0.653329 0.075 Uiso 1 1 calc R U . . .
C02F C 0.7208(11) 0.9760(8) 0.8729(6) 0.057(3) Uani 1 1 d . U . . .
H02F H 0.757928 0.938473 0.864519 0.069 Uiso 1 1 calc R U . . .
C02G C 0.6087(11) 0.8754(7) 0.9676(6) 0.050(3) Uani 1 1 d . U . . .
C02H C 0.6430(11) 0.8886(8) 1.0644(7) 0.058(3) Uani 1 1 d . U . . .
H02H H 0.657340 0.913220 1.091463 0.069 Uiso 1 1 calc R U . . .
C02I C 1.1012(11) 0.6928(8) 0.5448(6) 0.053(3) Uani 1 1 d . U . . .
H02I H 1.107139 0.733920 0.537429 0.064 Uiso 1 1 calc R U . . .
C02K C 0.5981(11) 0.8166(8) 0.9832(6) 0.052(3) Uani 1 1 d . U . . .
H02K H 0.583741 0.791685 0.956297 0.063 Uiso 1 1 calc R U . . .
C02L C 1.0820(11) 0.5691(8) 0.5619(6) 0.055(3) Uani 1 1 d . U . . .
H02L H 1.076345 0.527750 0.567078 0.066 Uiso 1 1 calc R U . . .
C02O C 0.8462(11) 0.6069(8) 0.5316(6) 0.051(3) Uani 1 1 d . U . . .
C02P C 0.3560(10) 0.9721(7) 0.8459(6) 0.050(3) Uani 1 1 d . U . . .
H02P H 0.334489 0.990097 0.812474 0.060 Uiso 1 1 calc R U . . .
C02Q C 0.9432(12) 1.0505(8) 0.6008(7) 0.059(3) Uani 1 1 d . U . . .
H02Q H 0.997094 1.060514 0.589399 0.071 Uiso 1 1 calc R U . . .
C02R C 1.1194(5) 0.7807(5) 0.6532(4) 0.053(3) Uani 1 1 d G U . . .
C04A C 1.1416(6) 0.7223(5) 0.6791(4) 0.058(3) Uani 1 1 d G U . . .
C03L C 1.2255(7) 0.6885(4) 0.6688(5) 0.066(3) Uani 1 1 d G U . . .
H03L H 1.240375 0.649355 0.686146 0.079 Uiso 1 1 calc R U . . .
C03Y C 1.2871(5) 0.7131(5) 0.6327(5) 0.068(4) Uani 1 1 d G U . . .
H03Y H 1.343146 0.690467 0.625805 0.082 Uiso 1 1 calc R U . . .
C028 C 1.2648(6) 0.7716(5) 0.6068(4) 0.061(3) Uani 1 1 d G U . . .
H028 H 1.305983 0.788032 0.582585 0.074 Uiso 1 1 calc R U . . .
C02N C 1.1809(7) 0.8054(4) 0.6170(4) 0.057(3) Uani 1 1 d G U . . .
C02S C 0.6370(11) 0.9773(7) 0.8875(6) 0.050(3) Uani 1 1 d . U . . .
C02T C 0.5574(11) 0.9128(7) 0.5702(6) 0.051(3) Uani 1 1 d . U . . .
H02T H 0.607624 0.915104 0.586222 0.062 Uiso 1 1 calc R U . . .
C02U C 0.6146(12) 1.0868(8) 0.9015(7) 0.059(3) Uani 1 1 d . U . . .
H02U H 0.577478 1.123455 0.912703 0.071 Uiso 1 1 calc R U . . .
C02V C 0.4078(11) 0.9025(7) 0.5227(6) 0.052(3) Uani 1 1 d . U . . .
H02V H 0.358283 0.897753 0.506874 0.063 Uiso 1 1 calc R U . . .
C02W C 0.5561(11) 0.9146(7) 0.5113(6) 0.052(3) Uani 1 1 d . U . . .
H02W H 0.605859 0.918511 0.487327 0.062 Uiso 1 1 calc R U . . .
C02X C 0.9380(11) 0.8838(8) 0.9000(7) 0.058(3) Uani 1 1 d . U . . .
C02Y C 0.3059(10) 0.9337(8) 0.7151(6) 0.051(3) Uani 1 1 d . U . . .
H02Y H 0.309198 0.974987 0.706032 0.062 Uiso 1 1 calc R U . . .
C02Z C 1.0030(11) 0.6600(8) 0.8889(7) 0.057(3) Uani 1 1 d . U . . .
H02Z H 0.988468 0.687852 0.858728 0.069 Uiso 1 1 calc R U . . .
C0 C 0.8765(10) 0.8963(7) 0.5506(6) 0.057(6) Uani 0.97(2) 1 d . U P M 27
H0A H 0.837428 0.891411 0.584198 0.085 Uiso 0.97(2) 1 calc R U P M 27
H0B H 0.898527 0.933786 0.552948 0.085 Uiso 0.97(2) 1 calc R U P M 27
H0C H 0.923675 0.861368 0.548110 0.085 Uiso 0.97(2) 1 calc R U P M 27
C031 C 0.2267(11) 0.9171(8) 0.7323(6) 0.055(3) Uani 1 1 d . U . . .
H031 H 0.176856 0.947701 0.733784 0.066 Uiso 1 1 calc R U . . .
C032 C 0.7867(11) 0.9583(8) 0.4110(6) 0.054(3) Uani 1 1 d . U . . .
H032 H 0.785031 0.993888 0.387615 0.065 Uiso 1 1 calc R U . . .
C033 C 0.8215(10) 0.9539(8) 0.4622(6) 0.053(3) Uani 1 1 d . U . . .
H033 H 0.840926 0.988226 0.473621 0.063 Uiso 1 1 calc R U . . .
C034 C 1.0548(11) 0.5438(8) 0.7749(7) 0.058(3) Uani 1 1 d . U . . .
C035 C 0.4926(11) 0.6729(8) 0.5038(7) 0.055(3) Uani 1 1 d . U . . .
C036 C 0.9122(13) 0.5111(9) 0.8473(7) 0.064(3) Uani 1 1 d . U . . .
C037 C 0.8797(12) 0.8761(9) 0.9489(7) 0.062(3) Uani 1 1 d . U . . .
C038 C 0.4449(12) 0.5762(8) 0.5144(7) 0.062(3) Uani 1 1 d . U . . .
H038 H 0.426716 0.543826 0.498100 0.074 Uiso 1 1 calc R U . . .
C039 C 0.7120(12) 0.6056(8) 0.4884(7) 0.057(3) Uani 1 1 d . U . . .
H039 H 0.654764 0.600281 0.491711 0.068 Uiso 1 1 calc R U . . .
C03A C 0.4622(11) 1.1090(8) 0.7323(6) 0.055(3) Uani 1 1 d . U . . .
H03A H 0.456383 1.149917 0.743117 0.066 Uiso 1 1 calc R U . . .
C03B C 0.9501(11) 0.4972(8) 0.6668(7) 0.054(3) Uani 1 1 d . U . . .
C03C C 0.7966(12) 1.0565(8) 0.5847(7) 0.061(3) Uani 1 1 d . U . . .
H03C H 0.751769 1.069666 0.561897 0.074 Uiso 1 1 calc R U . . .
C03D C 0.3711(11) 0.8263(8) 0.7248(6) 0.052(3) Uani 1 1 d . U . . .
H03D H 0.420270 0.795104 0.722443 0.062 Uiso 1 1 calc R U . . .
C03E C 0.9966(12) 0.6013(8) 0.8851(7) 0.061(3) Uani 1 1 d . U . . .
C03F C 0.3310(11) 0.9435(8) 0.9456(6) 0.053(3) Uani 1 1 d . U . . .
H03F H 0.293142 0.940555 0.978482 0.063 Uiso 1 1 calc R U . . .
C03H C 0.8400(12) 0.6217(8) 0.4300(7) 0.058(3) Uani 1 1 d . U . . .
H03H H 0.867204 0.630031 0.393941 0.069 Uiso 1 1 calc R U . . .
C03I C 0.4582(11) 0.6258(8) 0.4816(7) 0.059(3) Uani 1 1 d . U . . .
H03I H 0.444580 0.629168 0.443938 0.070 Uiso 1 1 calc R U . . .
C03J C 1.2047(14) 0.4847(9) 0.7109(8) 0.077(4) Uani 1 1 d . U . . .
H03J H 1.254173 0.465319 0.688682 0.093 Uiso 1 1 calc R U . . .
C03K C 0.4801(11) 0.9105(7) 0.4875(6) 0.053(3) Uani 1 1 d . U . . .
H03K H 0.478919 0.913181 0.447921 0.064 Uiso 1 1 calc R U . . .
C03M C 1.0310(12) 0.6811(9) 0.9368(7) 0.062(3) Uani 1 1 d . U . . .
H03M H 1.033491 0.722952 0.938113 0.075 Uiso 1 1 calc R U . . .
C03N C 0.6234(12) 0.4812(8) 0.6955(7) 0.059(3) Uani 1 1 d . U . . .
C3 C 0.4988(12) 0.4881(9) 0.8492(8) 0.090(8) Uani 0.94(2) 1 d . U P N 26
H3A H 0.547536 0.470507 0.869545 0.134 Uiso 0.94(2) 1 calc R U P N 26
H3B H 0.451324 0.467731 0.861948 0.134 Uiso 0.94(2) 1 calc R U P N 26
H3C H 0.482088 0.531686 0.856531 0.134 Uiso 0.94(2) 1 calc R U P N 26
C9B C 0.5081(11) 0.7274(8) 0.4643(7) 0.087(7) Uani 0.90(2) 1 d . U P O 34
H9BA H 0.465497 0.763596 0.475154 0.131 Uiso 0.90(2) 1 calc R U P O 34
H9BB H 0.503809 0.717796 0.425465 0.131 Uiso 0.90(2) 1 calc R U P O 34
H9BC H 0.564861 0.735443 0.467392 0.131 Uiso 0.90(2) 1 calc R U P O 34
C03Q C 0.6081(11) 0.7933(8) 1.0380(6) 0.057(3) Uani 1 1 d . U . . .
H03Q H 0.600763 0.752821 1.047377 0.069 Uiso 1 1 calc R U . . .
C03R C 0.7567(11) 0.6044(7) 0.5375(6) 0.054(3) Uani 1 1 d . U . . .
H03R H 0.727177 0.601864 0.573931 0.065 Uiso 1 1 calc R U . . .
C03S C 0.9610(11) 0.4338(8) 0.6822(7) 0.057(3) Uani 1 1 d . U . . .
H03S H 0.986075 0.418798 0.715325 0.068 Uiso 1 1 calc R U . . .
C03T C 0.5988(12) 0.4982(8) 0.7535(7) 0.061(3) Uani 1 1 d . U . . .
C03U C 0.3006(11) 0.9656(8) 0.8969(6) 0.056(3) Uani 1 1 d . U . . .
H03U H 0.241001 0.977147 0.896134 0.067 Uiso 1 1 calc R U . . .
C03V C 0.7563(12) 0.6150(8) 0.4356(7) 0.058(3) Uani 1 1 d . U . . .
H03V H 0.727818 0.616808 0.402869 0.069 Uiso 1 1 calc R U . . .
C03W C 0.9777(12) 0.9357(9) 0.8941(7) 0.064(3) Uani 1 1 d . U . . .
C03X C 0.6289(12) 0.8285(8) 1.0792(7) 0.062(3) Uani 1 1 d . U . . .
H03X H 0.633457 0.812585 1.116441 0.075 Uiso 1 1 calc R U . . .
C03Z C 1.1702(11) 0.6450(8) 0.5365(6) 0.054(3) Uani 1 1 d . U . . .
H03Z H 1.224991 0.653657 0.525526 0.065 Uiso 1 1 calc R U . . .
C040 C 0.9234(13) 0.3979(9) 0.8629(8) 0.072(4) Uani 1 1 d . U . . .
H040 H 0.953768 0.357496 0.857588 0.086 Uiso 1 1 calc R U . . .
C041 C 1.2102(14) 0.5031(10) 0.7631(9) 0.079(4) Uani 1 1 d . U . . .
H041 H 1.263375 0.496403 0.777793 0.095 Uiso 1 1 calc R U . . .
C042 C 0.8773(12) 1.0699(8) 0.5672(7) 0.063(3) Uani 1 1 d . U . . .
H042 H 0.886890 1.091877 0.532891 0.076 Uiso 1 1 calc R U . . .
C044 C 0.8314(13) 0.5188(10) 0.8780(7) 0.071(4) Uani 1 1 d . U . . .
H044 H 0.801358 0.559297 0.883639 0.085 Uiso 1 1 calc R U . . .
C045 C 0.5246(13) 0.4788(9) 0.7824(8) 0.067(3) Uani 1 1 d . U . . .
C046 C 0.4572(12) 0.5719(8) 0.5699(7) 0.063(3) Uani 1 1 d . U . . .
H046 H 0.445735 0.537539 0.592014 0.075 Uiso 1 1 calc R U . . .
C047 C 1.0190(12) 0.5616(9) 0.9312(7) 0.065(3) Uani 1 1 d . U . . .
H047 H 1.014604 0.520056 0.930107 0.078 Uiso 1 1 calc R U . . .
C049 C 0.4955(13) 0.4413(9) 0.6930(8) 0.075(4) Uani 1 1 d . U . . .
H049 H 0.460061 0.423344 0.672703 0.090 Uiso 1 1 calc R U . . .
C04B C 1.1599(12) 0.5818(8) 0.5445(7) 0.060(3) Uani 1 1 d . U . . .
H04B H 1.207368 0.549636 0.537504 0.071 Uiso 1 1 calc R U . . .
C04C C 0.9578(13) 0.4495(9) 0.8403(7) 0.067(3) Uani 1 1 d . U . . .
H04C H 1.012524 0.442842 0.819888 0.081 Uiso 1 1 calc R U . . .
C04D C 1.1348(12) 0.5331(9) 0.7961(8) 0.068(4) Uani 1 1 d . U . . .
H04D H 1.138759 0.545850 0.832693 0.082 Uiso 1 1 calc R U . . .
C04E C 0.9337(11) 0.3934(8) 0.6473(7) 0.058(3) Uani 1 1 d . U . . .
H04E H 0.937668 0.351749 0.658534 0.069 Uiso 1 1 calc R U . . .
C1 C 0.5537(13) 0.5514(8) 0.9948(7) 0.104(8) Uani 0.90(2) 1 d . U P P 13
H1A H 0.520776 0.590780 0.983532 0.156 Uiso 0.90(2) 1 calc R U P P 13
H1B H 0.523703 0.535068 1.028275 0.156 Uiso 0.90(2) 1 calc R U P P 13
H1C H 0.560682 0.522953 0.964140 0.156 Uiso 0.90(2) 1 calc R U P P 13
C04G C 1.0550(12) 0.6425(9) 0.9821(7) 0.066(3) Uani 1 1 d . U . . .
H04G H 1.075111 0.657282 1.013404 0.079 Uiso 1 1 calc R U . . .
C04I C 0.5755(13) 0.4572(8) 0.6655(8) 0.068(4) Uani 1 1 d . U . . .
H04I H 0.591984 0.450181 0.626722 0.081 Uiso 1 1 calc R U . . .
C04J C 0.9557(12) 0.9848(9) 0.9351(8) 0.071(4) Uani 1 1 d . U . . .
H04J H 0.979733 1.020357 0.931969 0.085 Uiso 1 1 calc R U . . .
C04K C 1.0485(13) 0.5828(9) 0.9799(7) 0.068(3) Uani 1 1 d . U . . .
H04K H 1.063275 0.555338 1.010267 0.082 Uiso 1 1 calc R U . . .
C04L C 0.2936(11) 0.8101(8) 0.7408(7) 0.059(3) Uani 1 1 d . U . . .
H04L H 0.288847 0.768763 0.747682 0.071 Uiso 1 1 calc R U . . .
C04N C 0.8562(13) 0.9213(9) 0.9894(8) 0.070(4) Uani 1 1 d . U . . .
H04N H 0.816854 0.916403 1.021078 0.084 Uiso 1 1 calc R U . . .
C04O C 0.3683(8) 0.7039(7) 0.8440(6) 0.088(4) Uani 1 1 d G U . . .
C04U C 0.3618(8) 0.7613(7) 0.8683(6) 0.087(4) Uani 1 1 d G U . . .
C050 C 0.2813(10) 0.7942(6) 0.8900(6) 0.093(4) Uani 1 1 d G U . . .
H050 H 0.276916 0.832550 0.906325 0.112 Uiso 1 1 calc R U . . .
C110 C 0.2074(8) 0.7696(7) 0.8874(6) 0.099(5) Uani 1 1 d G U . . .
H110 H 0.153538 0.791542 0.901890 0.119 Uiso 1 1 calc R U . . .
C167 C 0.2139(9) 0.7122(8) 0.8630(7) 0.103(5) Uani 1 1 d G U . . .
H167 H 0.164467 0.695755 0.861257 0.124 Uiso 1 1 calc R U . . .
C054 C 0.2944(11) 0.6794(6) 0.8413(6) 0.100(4) Uani 1 1 d G U . . .
C04P C 0.8390(14) 0.4105(9) 0.8948(8) 0.073(4) Uani 1 1 d . U . . .
H04P H 0.814394 0.378020 0.911906 0.088 Uiso 1 1 calc R U . . .
C04R C 0.7933(14) 0.4728(9) 0.9000(8) 0.073(4) Uani 1 1 d . U . . .
H04R H 0.737408 0.481323 0.918612 0.088 Uiso 1 1 calc R U . . .
C04S C 0.7032(12) 1.0880(9) 0.8846(7) 0.062(3) Uani 1 1 d . U . . .
H04S H 0.725846 1.124172 0.883361 0.075 Uiso 1 1 calc R U . . .
C04T C 0.7530(13) 1.0306(8) 0.8700(7) 0.065(3) Uani 1 1 d . U . . .
H04T H 0.811348 1.028542 0.857525 0.077 Uiso 1 1 calc R U . . .
C04V C 0.4741(14) 0.4538(9) 0.7502(8) 0.074(4) Uani 1 1 d . U . . .
H04V H 0.422261 0.444724 0.767978 0.089 Uiso 1 1 calc R U . . .
C04Y C 0.8913(13) 0.9724(10) 0.9823(8) 0.074(4) Uani 1 1 d . U . . .
H04Y H 0.873180 1.002776 1.009638 0.089 Uiso 1 1 calc R U . . .
C73 C 0.6790(12) 0.6109(8) 0.9861(7) 0.047(4) Uani 0.5 1 d G U P I .
C58 C 0.6445(11) 0.5601(9) 1.0088(8) 0.057(4) Uani 0.5 1 d G U P . .
C04W C 0.6884(14) 0.5187(8) 1.0471(8) 0.062(5) Uani 0.5 1 d G U P P .
H04W H 0.665288 0.484717 1.062223 0.074 Uiso 0.5 1 calc R U P . .
C122 C 0.7668(13) 0.5280(8) 1.0627(8) 0.063(5) Uani 0.5 1 d G U P . .
H122 H 0.796188 0.500272 1.088376 0.075 Uiso 0.5 1 calc R U P P .
C04Q C 0.8013(11) 0.5788(9) 1.0401(8) 0.056(5) Uani 0.5 1 d G U P I .
H04Q H 0.853797 0.584989 1.050602 0.067 Uiso 0.5 1 calc R U P . .
C048 C 0.7574(12) 0.6202(7) 1.0018(8) 0.050(4) Uani 0.5 1 d G U P . .
Cl1A Cl 1.0679(4) 0.6910(3) 0.7250(2) 0.071(2) Uani 0.75(2) 1 d . . P B 3
Cl2A Cl 1.1637(4) 0.8755(3) 0.5834(2) 0.070(2) Uani 0.76(2) 1 d . . P C 5
Cl4A Cl 1.0150(6) 0.9969(4) 0.6904(4) 0.078(4) Uani 0.44(2) 1 d . . P E 8
Cl Cl 0.6858(6) 1.0057(5) 0.6520(4) 0.076(4) Uani 0.37(2) 1 d . . P F 10
Cl7A Cl 0.8053(8) 0.6713(6) 0.9731(5) 0.087(5) Uani 0.25(2) 1 d . . P I 11
Cl1 Cl 0.5537(13) 0.5514(8) 0.9948(7) 0.104(8) Uani 0.10(2) 1 d . . P P 14
Cl2 Cl 0.4489(3) 0.7946(3) 0.8713(2) 0.070(2) Uani 0.87(2) 1 d . . P A 16
Cl3A Cl 0.2961(6) 0.6100(4) 0.8110(3) 0.107(3) Uani 0.74(2) 1 d . . P D 17
Cl5A Cl 1.0508(6) 0.9461(5) 0.8428(4) 0.073(4) Uani 0.33(2) 1 d . . P G 19
Cl6A Cl 0.8305(6) 0.8159(5) 0.9557(4) 0.074(4) Uani 0.30(2) 1 d . . P H 22
Cl8A Cl 0.7083(9) 0.4977(6) 0.6639(5) 0.070(6) Uani 0.13(2) 1 d . . P J 24
Cl3 Cl 0.4988(12) 0.4881(9) 0.8492(8) 0.090(8) Uani 0.06(2) 1 d . . P N 25
Cl6 Cl 0.8765(10) 0.8963(7) 0.5506(6) 0.057(6) Uani 0.03(2) 1 d . . P M 28
Cl4 Cl 0.7207(10) 0.7995(7) 0.4075(6) 0.071(6) Uani 0.10(2) 1 d . . P K 30
Cl5 Cl 0.4963(11) 0.6169(7) 0.6599(6) 0.057(6) Uani 0.02(2) 1 d . . P L 31
Cl9A Cl 0.5081(11) 0.7274(8) 0.4643(7) 0.087(7) Uani 0.10(2) 1 d . . P O 33


_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
Au01 Au02 2.7050(9) . ?
Au01 Au03 2.7051(8) . ?
Au01 Au04 2.7306(9) . ?
Au01 Au05 2.7180(10) . ?
Au01 Ag06 2.8254(11) . ?
Au01 Ag07 2.8019(13) . ?
Au01 Ag08 2.8177(13) . ?
Au01 Ag09 2.8209(12) . ?
Au01 Ag0A 2.7955(12) . ?
Au01 Ag0B 2.8548(13) . ?
Au01 Ag0C 2.7989(13) . ?
Au01 Ag0D 2.7992(12) . ?
Au02 Au04 2.8942(9) . ?
Au02 Ag06 2.9465(12) . ?
Au02 Ag08 2.8755(13) . ?
Au02 Ag09 2.9108(13) . ?
Au02 Ag0C 2.9102(13) . ?
Au02 P00J 2.336(4) . ?
Au03 Au05 2.8845(9) . ?
Au03 Ag06 2.9228(13) . ?
Au03 Ag07 2.8731(13) . ?
Au03 Ag09 2.9195(14) . ?
Au03 Ag0B 2.8459(13) . ?
Au03 P00I 2.315(3) . ?
Au04 Ag08 2.9548(12) . ?
Au04 Ag0A 2.8851(13) . ?
Au04 Ag0C 3.0265(14) . ?
Au04 Ag0D 2.8646(14) . ?
Au04 P00P 2.352(4) . ?
Au05 Ag07 3.0268(13) . ?
Au05 Ag0A 2.9037(13) . ?
Au05 Ag0B 2.9327(14) . ?
Au05 Ag0D 2.8539(13) . ?
Au05 P00O 2.333(4) . ?
Ag06 Ag07 2.8800(15) . ?
Ag06 Ag08 2.8850(14) . ?
Ag06 Ag09 3.0024(16) . ?
Ag06 Ag0E 2.9168(15) . ?
Ag06 S00M 2.510(3) . ?
Ag07 Ag08 2.9460(15) . ?
Ag07 Ag0A 2.9401(14) . ?
Ag07 Ag0F 2.9865(16) . ?
Ag07 S00N 2.467(4) . ?
Ag07 Cl1A 2.858(6) . ?
Ag08 Ag0A 2.9919(15) . ?
Ag08 Ag0F 3.0263(16) . ?
Ag08 S00L 2.457(4) . ?
Ag09 Ag0B 2.8761(16) . ?
Ag09 Ag0C 2.8840(14) . ?
Ag09 Ag0E 2.9362(15) . ?
Ag09 S00K 2.493(4) . ?
Ag0A Ag0D 3.0221(17) . ?
Ag0A Ag0F 3.0709(17) . ?
Ag0A S00H 2.484(4) . ?
Ag0B Ag0C 2.9087(16) . ?
Ag0B Ag0D 3.0680(15) . ?
Ag0B Ag0G 2.9336(17) . ?
Ag0B S00Q 2.458(5) . ?
Ag0C Ag0D 2.9168(16) . ?
Ag0C Ag0G 3.0821(19) . ?
Ag0C S00T 2.456(5) . ?
Ag0C Cl2 2.820(5) . ?
Ag0D Ag0G 3.108(2) . ?
Ag0D S00R 2.474(5) . ?
Ag0E S00K 2.373(4) . ?
Ag0E S00M 2.378(4) . ?
Ag0F S00H 2.484(4) . ?
Ag0F S00L 2.551(4) . ?
Ag0F S00N 2.515(4) . ?
Ag0G S00Q 2.509(5) . ?
Ag0G S00R 2.471(5) . ?
Ag0G S00T 2.563(6) . ?
S00H C02X 1.789(16) . ?
P00I C01F 1.799(17) . ?
P00I C02B 1.824(16) . ?
P00I C02O 1.807(15) . ?
P00J C01E 1.845(14) . ?
P00J C01K 1.784(14) . ?
P00J C01O 1.809(14) . ?
S00K C01M 1.813(15) . ?
S00L C023 1.780(15) . ?
S00M C01C 1.778(15) . ?
S00N C02R 1.785(9) . ?
P00O C034 1.835(17) . ?
P00O C036 1.801(19) . ?
P00O C03E 1.796(17) . ?
P00P C01H 1.798(16) . ?
P00P C02G 1.819(15) . ?
P00P C02S 1.818(17) . ?
S00Q C03T 1.782(18) . ?
S00R C73 1.766(14) . ?
C2 H2A 0.9600 . ?
C2 H2B 0.9600 . ?
C2 H2C 0.9600 . ?
C2 C04U 1.693(11) . ?
S00T C04O 1.771(12) . ?
C1B H1BA 0.9600 . ?
C1B H1BB 0.9600 . ?
C1B H1BC 0.9600 . ?
C1B C04A 1.715(9) . ?
C2B H2BA 0.9600 . ?
C2B H2BB 0.9600 . ?
C2B H2BC 0.9600 . ?
C2B C02N 1.681(10) . ?
C3B H3BA 0.9600 . ?
C3B H3BB 0.9600 . ?
C3B H3BC 0.9600 . ?
C3B C054 1.708(12) . ?
C4B H4BA 0.9600 . ?
C4B H4BB 0.9600 . ?
C4B H4BC 0.9600 . ?
C4B C022 1.693(18) . ?
O010 C01A 1.407(17) . ?
O010 C01P 1.410(18) . ?
C HA 0.9600 . ?
C HB 0.9600 . ?
C HC 0.9600 . ?
C C01X 1.621(18) . ?
C5B H5BA 0.9600 . ?
C5B H5BB 0.9600 . ?
C5B H5BC 0.9600 . ?
C5B C03W 1.61(2) . ?
C6B H6BA 0.9600 . ?
C6B H6BB 0.9600 . ?
C6B H6BC 0.9600 . ?
C6B C037 1.65(2) . ?
O017 C026 1.35(2) . ?
O017 C03B 1.42(2) . ?
C7B H7BA 0.9600 . ?
C7B H7BB 0.9600 . ?
C7B H7BC 0.9600 . ?
C7B C048 1.558(18) . ?
C01A C01H 1.353(19) . ?
C01A C02P 1.35(2) . ?
C01C C01U 1.423(19) . ?
C01C C025 1.43(2) . ?
C01E C01L 1.38(2) . ?
C01E C02T 1.40(2) . ?
C01F C01W 1.40(2) . ?
C01F C03B 1.44(2) . ?
C01G H01G 0.9300 . ?
C01G C02B 1.42(2) . ?
C01G C02I 1.41(2) . ?
C01H C01V 1.44(2) . ?
C01I H01I 0.9300 . ?
C01I C01O 1.41(2) . ?
C01I C027 1.41(2) . ?
C01K C02Y 1.40(2) . ?
C01K C03D 1.40(2) . ?
C01L H01L 0.9300 . ?
C01L C02V 1.36(2) . ?
C01M C021 1.40(2) . ?
C01M C035 1.36(2) . ?
C01O C01P 1.436(18) . ?
C01P C01Z 1.33(2) . ?
C01Q H01Q 0.9300 . ?
C01Q C02S 1.40(2) . ?
C01Q C02U 1.35(2) . ?
C8B H8BA 0.9600 . ?
C8B H8BB 0.9600 . ?
C8B H8BC 0.9600 . ?
C8B C03N 1.56(2) . ?
C01S H01S 0.9300 . ?
C01S C01W 1.35(2) . ?
C01S C04E 1.37(2) . ?
C01U C4 1.58(2) . ?
C01U C02C 1.34(2) . ?
C01U Cl4 1.58(2) . ?
C01V H01V 0.9300 . ?
C01V C03F 1.42(2) . ?
C01W H01W 0.9300 . ?
C01X C023 1.42(2) . ?
C01X C03C 1.41(2) . ?
C01X Cl 1.621(18) . ?
C01Z H01Z 0.9300 . ?
C01Z C03A 1.39(2) . ?
C020 H020 0.9300 . ?
C020 C031 1.33(2) . ?
C020 C04L 1.42(2) . ?
C021 C5 1.53(2) . ?
C021 C046 1.42(2) . ?
C021 Cl5 1.53(2) . ?
C022 C023 1.42(2) . ?
C022 C02Q 1.33(2) . ?
C022 Cl4A 1.693(18) . ?
C024 H024 0.9300 . ?
C024 C02O 1.39(2) . ?
C024 C03H 1.34(2) . ?
C025 C0 1.489(19) . ?
C025 C033 1.42(2) . ?
C025 Cl6 1.489(19) . ?
C026 C02E 1.37(2) . ?
C026 C034 1.32(2) . ?
C027 H027 0.9300 . ?
C027 C03A 1.39(2) . ?
C4 H4A 0.9600 . ?
C4 H4B 0.9600 . ?
C4 H4C 0.9600 . ?
C02A H02A 0.9300 . ?
C02A C02G 1.39(2) . ?
C02A C02H 1.41(2) . ?
C02B C02L 1.39(2) . ?
C02C H02C 0.9300 . ?
C02C C032 1.41(2) . ?
C5 H5A 0.9600 . ?
C5 H5B 0.9600 . ?
C5 H5C 0.9600 . ?
C02E H02E 0.9300 . ?
C02E C03J 1.41(3) . ?
C02F H02F 0.9300 . ?
C02F C02S 1.33(2) . ?
C02F C04T 1.39(2) . ?
C02G C02K 1.36(2) . ?
C02H H02H 0.9300 . ?
C02H C03X 1.40(2) . ?
C02I H02I 0.9300 . ?
C02I C03Z 1.36(2) . ?
C02K H02K 0.9300 . ?
C02K C03Q 1.37(2) . ?
C02L H02L 0.9300 . ?
C02L C04B 1.33(2) . ?
C02O C03R 1.42(2) . ?
C02P H02P 0.9300 . ?
C02P C03U 1.42(2) . ?
C02Q H02Q 0.9300 . ?
C02Q C042 1.37(2) . ?
C02R C04A 1.3900 . ?
C02R C02N 1.3900 . ?
C04A C03L 1.3900 . ?
C04A Cl1A 1.715(9) . ?
C03L H03L 0.9300 . ?
C03L C03Y 1.3900 . ?
C03Y H03Y 0.9300 . ?
C03Y C028 1.3900 . ?
C028 H028 0.9300 . ?
C028 C02N 1.3900 . ?
C02N Cl2A 1.681(10) . ?
C02T H02T 0.9300 . ?
C02T C02W 1.38(2) . ?
C02U H02U 0.9300 . ?
C02U C04S 1.42(2) . ?
C02V H02V 0.9300 . ?
C02V C03K 1.37(2) . ?
C02W H02W 0.9300 . ?
C02W C03K 1.40(2) . ?
C02X C037 1.41(2) . ?
C02X C03W 1.40(2) . ?
C02Y H02Y 0.9300 . ?
C02Y C031 1.38(2) . ?
C02Z H02Z 0.9300 . ?
C02Z C03E 1.32(2) . ?
C02Z C03M 1.39(2) . ?
C0 H0A 0.9600 . ?
C0 H0B 0.9600 . ?
C0 H0C 0.9600 . ?
C031 H031 0.9300 . ?
C032 H032 0.9300 . ?
C032 C033 1.37(2) . ?
C033 H033 0.9300 . ?
C034 C04D 1.39(2) . ?
C035 C03I 1.41(2) . ?
C035 C9B 1.52(2) . ?
C035 Cl9A 1.52(2) . ?
C036 C044 1.38(3) . ?
C036 C04C 1.41(2) . ?
C037 C04N 1.38(2) . ?
C037 Cl6A 1.65(2) . ?
C038 H038 0.9300 . ?
C038 C03I 1.34(2) . ?
C038 C046 1.34(2) . ?
C039 H039 0.9300 . ?
C039 C03R 1.42(2) . ?
C039 C03V 1.38(2) . ?
C03A H03A 0.9300 . ?
C03B C03S 1.40(2) . ?
C03C H03C 0.9300 . ?
C03C C042 1.38(2) . ?
C03D H03D 0.9300 . ?
C03D C04L 1.35(2) . ?
C03E C047 1.39(2) . ?
C03F H03F 0.9300 . ?
C03F C03U 1.32(2) . ?
C03H H03H 0.9300 . ?
C03H C03V 1.35(2) . ?
C03I H03I 0.9300 . ?
C03J H03J 0.9300 . ?
C03J C041 1.33(3) . ?
C03K H03K 0.9300 . ?
C03M H03M 0.9300 . ?
C03M C04G 1.37(2) . ?
C03N C03T 1.42(2) . ?
C03N C04I 1.29(2) . ?
C03N Cl8A 1.56(2) . ?
C3 H3A 0.9600 . ?
C3 H3B 0.9600 . ?
C3 H3C 0.9600 . ?
C3 C045 1.59(2) . ?
C9B H9BA 0.9600 . ?
C9B H9BB 0.9600 . ?
C9B H9BC 0.9600 . ?
C03Q H03Q 0.9300 . ?
C03Q C03X 1.37(2) . ?
C03R H03R 0.9300 . ?
C03S H03S 0.9300 . ?
C03S C04E 1.40(2) . ?
C03T C045 1.42(2) . ?
C03U H03U 0.9300 . ?
C03V H03V 0.9300 . ?
C03W C04J 1.45(2) . ?
C03W Cl5A 1.61(2) . ?
C03X H03X 0.9300 . ?
C03Z H03Z 0.9300 . ?
C03Z C04B 1.43(2) . ?
C040 H040 0.9300 . ?
C040 C04C 1.41(3) . ?
C040 C04P 1.44(3) . ?
C041 H041 0.9300 . ?
C041 C04D 1.41(2) . ?
C042 H042 0.9300 . ?
C044 H044 0.9300 . ?
C044 C04R 1.33(3) . ?
C045 C04V 1.37(3) . ?
C045 Cl3 1.59(2) . ?
C046 H046 0.9300 . ?
C047 H047 0.9300 . ?
C047 C04K 1.41(2) . ?
C049 H049 0.9300 . ?
C049 C04I 1.45(3) . ?
C049 C04V 1.37(3) . ?
C04B H04B 0.9300 . ?
C04C H04C 0.9300 . ?
C04D H04D 0.9300 . ?
C04E H04E 0.9300 . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C1 C58 1.56(2) . ?
C04G H04G 0.9300 . ?
C04G C04K 1.34(3) . ?
C04I H04I 0.9300 . ?
C04J H04J 0.9300 . ?
C04J C04Y 1.47(3) . ?
C04K H04K 0.9300 . ?
C04L H04L 0.9300 . ?
C04N H04N 0.9300 . ?
C04N C04Y 1.34(3) . ?
C04O C04U 1.3900 . ?
C04O C054 1.3900 . ?
C04U C050 1.3900 . ?
C04U Cl2 1.693(11) . ?
C050 H050 0.9300 . ?
C050 C110 1.3900 . ?
C110 H110 0.9300 . ?
C110 C167 1.3900 . ?
C167 H167 0.9300 . ?
C167 C054 1.3900 . ?
C054 Cl3A 1.708(12) . ?
C04P H04P 0.9300 . ?
C04P C04R 1.42(3) . ?
C04R H04R 0.9300 . ?
C04S H04S 0.9300 . ?
C04S C04T 1.39(2) . ?
C04T H04T 0.9300 . ?
C04V H04V 0.9300 . ?
C04Y H04Y 0.9300 . ?
C73 C58 1.3900 . ?
C73 C048 1.3900 . ?
C58 C04W 1.3900 . ?
C58 Cl1 1.56(2) . ?
C04W H04W 0.9300 . ?
C04W C122 1.3900 . ?
C122 H122 0.9300 . ?
C122 C04Q 1.3900 . ?
C04Q H04Q 0.9300 . ?
C04Q C048 1.3900 . ?
C048 Cl7A 1.558(18) . ?

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
Au02 Au01 Au03 117.27(3) . . ?
Au02 Au01 Au04 64.34(2) . . ?
Au02 Au01 Au05 177.28(3) . . ?
Au02 Au01 Ag06 64.34(3) . . ?
Au02 Au01 Ag07 116.15(3) . . ?
Au02 Au01 Ag08 62.72(3) . . ?
Au02 Au01 Ag09 63.53(3) . . ?
Au02 Au01 Ag0A 116.64(3) . . ?
Au02 Au01 Ag0B 114.98(4) . . ?
Au02 Au01 Ag0C 63.82(3) . . ?
Au02 Au01 Ag0D 115.15(3) . . ?
Au03 Au01 Au04 178.34(3) . . ?
Au03 Au01 Au05 64.27(2) . . ?
Au03 Au01 Ag06 63.76(3) . . ?
Au03 Au01 Ag07 62.87(3) . . ?
Au03 Au01 Ag08 115.81(3) . . ?
Au03 Au01 Ag09 63.74(3) . . ?
Au03 Au01 Ag0A 115.53(3) . . ?
Au03 Au01 Ag0B 61.51(3) . . ?
Au03 Au01 Ag0C 114.54(4) . . ?
Au03 Au01 Ag0D 116.60(4) . . ?
Au04 Au01 Ag06 117.26(3) . . ?
Au04 Au01 Ag07 116.26(3) . . ?
Au04 Au01 Ag08 64.33(3) . . ?
Au04 Au01 Ag09 117.80(3) . . ?
Au04 Au01 Ag0A 62.93(3) . . ?
Au04 Au01 Ag0B 118.46(3) . . ?
Au04 Au01 Ag0C 66.36(3) . . ?
Au04 Au01 Ag0D 62.39(3) . . ?
Au05 Au01 Au04 114.14(3) . . ?
Au05 Au01 Ag06 118.22(3) . . ?
Au05 Au01 Ag07 66.49(3) . . ?
Au05 Au01 Ag08 119.01(4) . . ?
Au05 Au01 Ag09 116.34(4) . . ?
Au05 Au01 Ag0A 63.54(3) . . ?
Au05 Au01 Ag0B 63.45(3) . . ?
Au05 Au01 Ag0C 113.59(4) . . ?
Au05 Au01 Ag0D 62.28(3) . . ?
Ag06 Au01 Ag0B 114.37(4) . . ?
Ag07 Au01 Ag06 61.57(3) . . ?
Ag07 Au01 Ag08 63.23(3) . . ?
Ag07 Au01 Ag09 115.61(3) . . ?
Ag07 Au01 Ag0B 116.40(4) . . ?
Ag08 Au01 Ag06 61.49(3) . . ?
Ag08 Au01 Ag09 115.12(4) . . ?
Ag08 Au01 Ag0B 175.71(4) . . ?
Ag09 Au01 Ag06 64.25(3) . . ?
Ag09 Au01 Ag0B 60.89(4) . . ?
Ag0A Au01 Ag06 114.84(4) . . ?
Ag0A Au01 Ag07 63.37(3) . . ?
Ag0A Au01 Ag08 64.42(3) . . ?
Ag0A Au01 Ag09 178.98(4) . . ?
Ag0A Au01 Ag0B 119.55(4) . . ?
Ag0A Au01 Ag0C 119.27(4) . . ?
Ag0A Au01 Ag0D 65.39(4) . . ?
Ag0C Au01 Ag06 116.76(4) . . ?
Ag0C Au01 Ag07 177.24(4) . . ?
Ag0C Au01 Ag08 118.26(4) . . ?
Ag0C Au01 Ag09 61.75(3) . . ?
Ag0C Au01 Ag0B 61.92(4) . . ?
Ag0C Au01 Ag0D 62.80(4) . . ?
Ag0D Au01 Ag06 179.49(4) . . ?
Ag0D Au01 Ag07 118.89(4) . . ?
Ag0D Au01 Ag08 118.41(4) . . ?
Ag0D Au01 Ag09 115.53(4) . . ?
Ag0D Au01 Ag0B 65.72(4) . . ?
Au01 Au02 Au04 58.26(2) . . ?
Au01 Au02 Ag06 59.81(3) . . ?
Au01 Au02 Ag08 60.56(3) . . ?
Au01 Au02 Ag09 60.17(3) . . ?
Au01 Au02 Ag0C 59.66(3) . . ?
Au04 Au02 Ag06 108.63(3) . . ?
Au04 Au02 Ag09 109.96(3) . . ?
Au04 Au02 Ag0C 62.85(3) . . ?
Ag08 Au02 Au04 61.61(3) . . ?
Ag08 Au02 Ag06 59.40(3) . . ?
Ag08 Au02 Ag09 110.65(4) . . ?
Ag08 Au02 Ag0C 112.87(4) . . ?
Ag09 Au02 Ag06 61.67(3) . . ?
Ag0C Au02 Ag06 109.72(4) . . ?
Ag0C Au02 Ag09 59.40(3) . . ?
P00J Au02 Au01 173.63(10) . . ?
P00J Au02 Au04 122.52(8) . . ?
P00J Au02 Ag06 123.04(9) . . ?
P00J Au02 Ag08 125.74(10) . . ?
P00J Au02 Ag09 115.29(10) . . ?
P00J Au02 Ag0C 114.50(10) . . ?
Au01 Au03 Au05 58.08(2) . . ?
Au01 Au03 Ag06 60.12(3) . . ?
Au01 Au03 Ag07 60.21(3) . . ?
Au01 Au03 Ag09 60.06(3) . . ?
Au01 Au03 Ag0B 61.84(3) . . ?
Au05 Au03 Ag06 110.01(3) . . ?
Au05 Au03 Ag09 108.36(3) . . ?
Ag07 Au03 Au05 63.43(3) . . ?
Ag07 Au03 Ag06 59.58(3) . . ?
Ag07 Au03 Ag09 110.46(4) . . ?
Ag09 Au03 Ag06 61.85(3) . . ?
Ag0B Au03 Au05 61.56(3) . . ?
Ag0B Au03 Ag06 111.68(4) . . ?
Ag0B Au03 Ag07 114.41(4) . . ?
Ag0B Au03 Ag09 59.83(3) . . ?
P00I Au03 Au01 175.44(11) . . ?
P00I Au03 Au05 122.03(10) . . ?
P00I Au03 Ag06 117.05(10) . . ?
P00I Au03 Ag07 115.43(11) . . ?
P00I Au03 Ag09 122.50(10) . . ?
P00I Au03 Ag0B 122.56(11) . . ?
Au01 Au04 Au02 57.40(2) . . ?
Au01 Au04 Ag08 59.26(3) . . ?
Au01 Au04 Ag0A 59.63(3) . . ?
Au01 Au04 Ag0C 57.90(3) . . ?
Au01 Au04 Ag0D 59.98(3) . . ?
Au02 Au04 Ag08 58.88(3) . . ?
Au02 Au04 Ag0C 58.83(3) . . ?
Ag08 Au04 Ag0C 107.41(3) . . ?
Ag0A Au04 Au02 108.19(3) . . ?
Ag0A Au04 Ag08 61.62(3) . . ?
Ag0A Au04 Ag0C 109.45(4) . . ?
Ag0D Au04 Au02 107.57(3) . . ?
Ag0D Au04 Ag08 112.01(4) . . ?
Ag0D Au04 Ag0A 63.42(4) . . ?
Ag0D Au04 Ag0C 59.28(4) . . ?
P00P Au04 Au01 176.88(11) . . ?
P00P Au04 Au02 123.27(10) . . ?
P00P Au04 Ag08 118.11(11) . . ?
P00P Au04 Ag0A 117.96(10) . . ?
P00P Au04 Ag0C 125.20(11) . . ?
P00P Au04 Ag0D 121.30(10) . . ?
Au01 Au05 Au03 57.65(2) . . ?
Au01 Au05 Ag07 58.08(3) . . ?
Au01 Au05 Ag0A 59.53(3) . . ?
Au01 Au05 Ag0B 60.55(3) . . ?
Au01 Au05 Ag0D 60.26(3) . . ?
Au03 Au05 Ag07 58.10(3) . . ?
Au03 Au05 Ag0A 107.00(3) . . ?
Au03 Au05 Ag0B 58.57(3) . . ?
Ag0A Au05 Ag07 59.40(3) . . ?
Ag0A Au05 Ag0B 113.54(4) . . ?
Ag0B Au05 Ag07 107.54(4) . . ?
Ag0D Au05 Au03 109.40(4) . . ?
Ag0D Au05 Ag07 110.17(4) . . ?
Ag0D Au05 Ag0A 63.31(4) . . ?
Ag0D Au05 Ag0B 64.02(4) . . ?
P00O Au05 Au01 172.62(11) . . ?
P00O Au05 Au03 125.18(10) . . ?
P00O Au05 Ag07 129.27(12) . . ?
P00O Au05 Ag0A 122.05(11) . . ?
P00O Au05 Ag0B 114.14(12) . . ?
P00O Au05 Ag0D 113.28(10) . . ?
Au01 Ag06 Au02 55.85(3) . . ?
Au01 Ag06 Au03 56.12(3) . . ?
Au01 Ag06 Ag07 58.82(3) . . ?
Au01 Ag06 Ag08 59.12(3) . . ?
Au01 Ag06 Ag09 57.80(3) . . ?
Au01 Ag06 Ag0E 117.26(5) . . ?
Au02 Ag06 Ag09 58.58(3) . . ?
Au03 Ag06 Au02 103.82(4) . . ?
Au03 Ag06 Ag09 59.02(3) . . ?
Ag07 Ag06 Au02 106.68(4) . . ?
Ag07 Ag06 Au03 59.35(3) . . ?
Ag07 Ag06 Ag08 61.46(4) . . ?
Ag07 Ag06 Ag09 107.96(4) . . ?
Ag07 Ag06 Ag0E 147.83(5) . . ?
Ag08 Ag06 Au02 59.08(3) . . ?
Ag08 Ag06 Au03 107.34(4) . . ?
Ag08 Ag06 Ag09 107.84(4) . . ?
Ag08 Ag06 Ag0E 148.07(5) . . ?
Ag0E Ag06 Au02 91.76(4) . . ?
Ag0E Ag06 Au03 91.13(4) . . ?
Ag0E Ag06 Ag09 59.46(4) . . ?
S00M Ag06 Au01 151.69(10) . . ?
S00M Ag06 Au02 138.44(10) . . ?
S00M Ag06 Au03 96.16(9) . . ?
S00M Ag06 Ag07 114.86(10) . . ?
S00M Ag06 Ag08 146.08(11) . . ?
S00M Ag06 Ag09 105.15(10) . . ?
S00M Ag06 Ag0E 51.31(10) . . ?
Au01 Ag07 Au03 56.92(3) . . ?
Au01 Ag07 Au05 55.43(3) . . ?
Au01 Ag07 Ag06 59.62(3) . . ?
Au01 Ag07 Ag08 58.64(3) . . ?
Au01 Ag07 Ag0A 58.21(3) . . ?
Au01 Ag07 Ag0F 109.37(4) . . ?
Au01 Ag07 Cl1A 129.01(12) . . ?
Au03 Ag07 Au05 58.47(3) . . ?
Au03 Ag07 Ag06 61.07(3) . . ?
Au03 Ag07 Ag08 107.03(4) . . ?
Au03 Ag07 Ag0A 106.34(4) . . ?
Au03 Ag07 Ag0F 166.29(5) . . ?
Ag06 Ag07 Au05 107.28(4) . . ?
Ag06 Ag07 Ag08 59.35(4) . . ?
Ag06 Ag07 Ag0A 108.93(4) . . ?
Ag06 Ag07 Ag0F 113.42(5) . . ?
Ag08 Ag07 Au05 105.99(4) . . ?
Ag08 Ag07 Ag0F 61.34(4) . . ?
Ag0A Ag07 Au05 58.22(3) . . ?
Ag0A Ag07 Ag08 61.10(4) . . ?
Ag0A Ag07 Ag0F 62.41(4) . . ?
Ag0F Ag07 Au05 115.61(4) . . ?
S00N Ag07 Au01 152.32(11) . . ?
S00N Ag07 Au03 138.09(9) . . ?
S00N Ag07 Au05 148.40(10) . . ?
S00N Ag07 Ag06 103.90(10) . . ?
S00N Ag07 Ag08 94.14(10) . . ?
S00N Ag07 Ag0A 115.56(9) . . ?
S00N Ag07 Ag0F 53.90(9) . . ?
S00N Ag07 Cl1A 76.00(15) . . ?
Cl1A Ag07 Au03 101.34(14) . . ?
Cl1A Ag07 Au05 73.73(11) . . ?
Cl1A Ag07 Ag06 154.20(13) . . ?
Cl1A Ag07 Ag08 146.16(14) . . ?
Cl1A Ag07 Ag0A 93.65(12) . . ?
Cl1A Ag07 Ag0F 87.74(14) . . ?
Au01 Ag08 Au02 56.72(3) . . ?
Au01 Ag08 Au04 56.40(3) . . ?
Au01 Ag08 Ag06 59.39(3) . . ?
Au01 Ag08 Ag07 58.12(3) . . ?
Au01 Ag08 Ag0A 57.43(3) . . ?
Au01 Ag08 Ag0F 107.83(4) . . ?
Au02 Ag08 Au04 59.51(3) . . ?
Au02 Ag08 Ag06 61.53(3) . . ?
Au02 Ag08 Ag07 106.81(4) . . ?
Au02 Ag08 Ag0A 105.83(4) . . ?
Au02 Ag08 Ag0F 164.55(5) . . ?
Au04 Ag08 Ag0A 58.04(3) . . ?
Au04 Ag08 Ag0F 113.94(4) . . ?
Ag06 Ag08 Au04 108.65(4) . . ?
Ag06 Ag08 Ag07 59.19(4) . . ?
Ag06 Ag08 Ag0A 107.39(4) . . ?
Ag06 Ag08 Ag0F 112.09(5) . . ?
Ag07 Ag08 Au04 105.55(4) . . ?
Ag07 Ag08 Ag0A 59.35(3) . . ?
Ag07 Ag08 Ag0F 59.99(4) . . ?
Ag0A Ag08 Ag0F 61.36(4) . . ?
S00L Ag08 Au01 159.19(10) . . ?
S00L Ag08 Au02 140.83(11) . . ?
S00L Ag08 Au04 117.47(9) . . ?
S00L Ag08 Ag06 133.46(9) . . ?
S00L Ag08 Ag07 110.99(11) . . ?
S00L Ag08 Ag0A 101.95(10) . . ?
S00L Ag08 Ag0F 54.26(10) . . ?
Au01 Ag09 Au02 56.29(3) . . ?
Au01 Ag09 Au03 56.20(3) . . ?
Au01 Ag09 Ag06 57.95(3) . . ?
Au01 Ag09 Ag0B 60.14(3) . . ?
Au01 Ag09 Ag0C 58.75(3) . . ?
Au01 Ag09 Ag0E 116.77(5) . . ?
Au02 Ag09 Au03 104.81(4) . . ?
Au02 Ag09 Ag06 59.75(3) . . ?
Au02 Ag09 Ag0E 92.09(4) . . ?
Au03 Ag09 Ag06 59.13(3) . . ?
Au03 Ag09 Ag0E 90.81(4) . . ?
Ag0B Ag09 Au02 108.26(4) . . ?
Ag0B Ag09 Au03 58.81(3) . . ?
Ag0B Ag09 Ag06 108.58(5) . . ?
Ag0B Ag09 Ag0C 60.66(4) . . ?
Ag0B Ag09 Ag0E 146.46(5) . . ?
Ag0C Ag09 Au02 60.29(3) . . ?
Ag0C Ag09 Au03 105.86(4) . . ?
Ag0C Ag09 Ag06 108.88(4) . . ?
Ag0C Ag09 Ag0E 150.32(5) . . ?
Ag0E Ag09 Ag06 58.82(4) . . ?
S00K Ag09 Au01 151.79(10) . . ?
S00K Ag09 Au02 96.45(10) . . ?
S00K Ag09 Au03 137.09(9) . . ?
S00K Ag09 Ag06 104.13(10) . . ?
S00K Ag09 Ag0B 145.84(11) . . ?
S00K Ag09 Ag0C 117.05(10) . . ?
S00K Ag09 Ag0E 51.03(10) . . ?
Au01 Ag0A Au04 57.44(3) . . ?
Au01 Ag0A Au05 56.93(3) . . ?
Au01 Ag0A Ag07 58.42(3) . . ?
Au01 Ag0A Ag08 58.15(3) . . ?
Au01 Ag0A Ag0D 57.36(3) . . ?
Au01 Ag0A Ag0F 107.19(4) . . ?
Au04 Ag0A Au05 104.38(4) . . ?
Au04 Ag0A Ag07 107.53(4) . . ?
Au04 Ag0A Ag08 60.33(3) . . ?
Au04 Ag0A Ag0D 57.96(4) . . ?
Au04 Ag0A Ag0F 114.66(5) . . ?
Au05 Ag0A Ag07 62.39(3) . . ?
Au05 Ag0A Ag08 108.01(4) . . ?
Au05 Ag0A Ag0D 57.54(3) . . ?
Au05 Ag0A Ag0F 116.77(4) . . ?
Ag07 Ag0A Ag08 59.55(3) . . ?
Ag07 Ag0A Ag0D 107.98(4) . . ?
Ag07 Ag0A Ag0F 59.53(4) . . ?
Ag08 Ag0A Ag0D 106.70(5) . . ?
Ag08 Ag0A Ag0F 59.87(4) . . ?
Ag0D Ag0A Ag0F 164.52(5) . . ?
S00H Ag0A Au01 156.70(9) . . ?
S00H Ag0A Au04 135.88(10) . . ?
S00H Ag0A Au05 119.23(10) . . ?
S00H Ag0A Ag07 98.72(9) . . ?
S00H Ag0A Ag08 108.23(10) . . ?
S00H Ag0A Ag0D 143.46(10) . . ?
S00H Ag0A Ag0F 51.81(9) . . ?
Au01 Ag0B Au05 56.00(3) . . ?
Au01 Ag0B Ag09 58.97(3) . . ?
Au01 Ag0B Ag0C 58.10(3) . . ?
Au01 Ag0B Ag0D 56.27(3) . . ?
Au01 Ag0B Ag0G 110.25(5) . . ?
Au03 Ag0B Au01 56.66(3) . . ?
Au03 Ag0B Au05 59.87(3) . . ?
Au03 Ag0B Ag09 61.35(3) . . ?
Au03 Ag0B Ag0C 107.15(4) . . ?
Au03 Ag0B Ag0D 104.67(4) . . ?
Au03 Ag0B Ag0G 166.48(5) . . ?
Au05 Ag0B Ag0D 56.74(3) . . ?
Au05 Ag0B Ag0G 111.25(5) . . ?
Ag09 Ag0B Au05 108.23(4) . . ?
Ag09 Ag0B Ag0C 59.80(4) . . ?
Ag09 Ag0B Ag0D 106.17(5) . . ?
Ag09 Ag0B Ag0G 116.69(6) . . ?
Ag0C Ag0B Au05 104.43(4) . . ?
Ag0C Ag0B Ag0D 58.35(4) . . ?
Ag0C Ag0B Ag0G 63.68(4) . . ?
Ag0G Ag0B Ag0D 62.34(4) . . ?
S00Q Ag0B Au01 161.87(11) . . ?
S00Q Ag0B Au03 137.37(11) . . ?
S00Q Ag0B Au05 116.70(13) . . ?
S00Q Ag0B Ag09 134.14(12) . . ?
S00Q Ag0B Ag0C 114.11(12) . . ?
S00Q Ag0B Ag0D 105.60(11) . . ?
S00Q Ag0B Ag0G 54.62(11) . . ?
Au01 Ag0C Au02 56.52(3) . . ?
Au01 Ag0C Au04 55.74(3) . . ?
Au01 Ag0C Ag09 59.50(3) . . ?
Au01 Ag0C Ag0B 59.99(3) . . ?
Au01 Ag0C Ag0D 58.60(3) . . ?
Au01 Ag0C Ag0G 107.61(5) . . ?
Au01 Ag0C Cl2 131.25(11) . . ?
Au02 Ag0C Au04 58.31(3) . . ?
Au02 Ag0C Ag0D 105.76(4) . . ?
Au02 Ag0C Ag0G 164.04(5) . . ?
Au04 Ag0C Ag0G 116.13(5) . . ?
Ag09 Ag0C Au02 60.31(3) . . ?
Ag09 Ag0C Au04 107.06(4) . . ?
Ag09 Ag0C Ag0B 59.54(4) . . ?
Ag09 Ag0C Ag0D 110.07(5) . . ?
Ag09 Ag0C Ag0G 111.93(5) . . ?
Ag0B Ag0C Au02 107.39(4) . . ?
Ag0B Ag0C Au04 107.91(5) . . ?
Ag0B Ag0C Ag0D 63.56(4) . . ?
Ag0B Ag0C Ag0G 58.55(4) . . ?
Ag0D Ag0C Au04 57.59(3) . . ?
Ag0D Ag0C Ag0G 62.35(5) . . ?
S00T Ag0C Au01 149.64(13) . . ?
S00T Ag0C Au02 139.06(14) . . ?
S00T Ag0C Au04 150.37(11) . . ?
S00T Ag0C Ag09 102.31(11) . . ?
S00T Ag0C Ag0B 90.13(13) . . ?
S00T Ag0C Ag0D 115.16(14) . . ?
S00T Ag0C Ag0G 53.69(14) . . ?
S00T Ag0C Cl2 76.78(15) . . ?
Cl2 Ag0C Au02 101.60(12) . . ?
Cl2 Ag0C Au04 75.56(10) . . ?
Cl2 Ag0C Ag09 151.79(13) . . ?
Cl2 Ag0C Ag0B 147.66(13) . . ?
Cl2 Ag0C Ag0D 95.18(12) . . ?
Cl2 Ag0C Ag0G 90.53(13) . . ?
Au01 Ag0D Au04 57.63(3) . . ?
Au01 Ag0D Au05 57.47(3) . . ?
Au01 Ag0D Ag0A 57.24(3) . . ?
Au01 Ag0D Ag0B 58.01(3) . . ?
Au01 Ag0D Ag0C 58.59(3) . . ?
Au01 Ag0D Ag0G 106.89(5) . . ?
Au04 Ag0D Ag0A 58.62(3) . . ?
Au04 Ag0D Ag0B 107.95(4) . . ?
Au04 Ag0D Ag0C 63.13(4) . . ?
Au04 Ag0D Ag0G 120.38(5) . . ?
Au05 Ag0D Au04 106.21(4) . . ?
Au05 Ag0D Ag0A 59.15(3) . . ?
Au05 Ag0D Ag0B 59.24(3) . . ?
Au05 Ag0D Ag0C 106.25(4) . . ?
Au05 Ag0D Ag0G 108.52(5) . . ?
Ag0A Ag0D Ag0B 106.57(4) . . ?
Ag0A Ag0D Ag0G 163.02(5) . . ?
Ag0B Ag0D Ag0G 56.71(4) . . ?
Ag0C Ag0D Ag0A 108.72(5) . . ?
Ag0C Ag0D Ag0B 58.09(4) . . ?
Ag0C Ag0D Ag0G 61.43(5) . . ?
S00R Ag0D Au01 152.34(14) . . ?
S00R Ag0D Au04 115.04(13) . . ?
S00R Ag0D Au05 138.72(13) . . ?
S00R Ag0D Ag0A 145.98(13) . . ?
S00R Ag0D Ag0B 106.93(12) . . ?
S00R Ag0D Ag0C 93.88(14) . . ?
S00R Ag0D Ag0G 51.00(12) . . ?
Ag06 Ag0E Ag09 61.72(4) . . ?
S00K Ag0E Ag06 110.07(9) . . ?
S00K Ag0E Ag09 54.79(9) . . ?
S00K Ag0E S00M 165.14(13) . . ?
S00M Ag0E Ag06 55.47(8) . . ?
S00M Ag0E Ag09 110.87(9) . . ?
Ag07 Ag0F Ag08 58.67(4) . . ?
Ag07 Ag0F Ag0A 58.05(4) . . ?
Ag08 Ag0F Ag0A 58.77(4) . . ?
S00H Ag0F Ag07 97.52(10) . . ?
S00H Ag0F Ag08 107.19(10) . . ?
S00H Ag0F Ag0A 51.82(10) . . ?
S00H Ag0F S00L 119.15(13) . . ?
S00H Ag0F S00N 129.01(14) . . ?
S00L Ag0F Ag07 107.07(10) . . ?
S00L Ag0F Ag08 51.42(10) . . ?
S00L Ag0F Ag0A 97.67(10) . . ?
S00N Ag0F Ag07 52.44(10) . . ?
S00N Ag0F Ag08 91.26(10) . . ?
S00N Ag0F Ag0A 109.82(10) . . ?
S00N Ag0F S00L 109.62(13) . . ?
Ag0B Ag0G Ag0C 57.77(4) . . ?
Ag0B Ag0G Ag0D 60.95(4) . . ?
Ag0C Ag0G Ag0D 56.22(4) . . ?
S00Q Ag0G Ag0B 53.00(11) . . ?
S00Q Ag0G Ag0C 107.09(11) . . ?
S00Q Ag0G Ag0D 103.16(12) . . ?
S00Q Ag0G S00T 105.82(16) . . ?
S00R Ag0G Ag0B 111.23(13) . . ?
S00R Ag0G Ag0C 90.02(13) . . ?
S00R Ag0G Ag0D 51.11(11) . . ?
S00R Ag0G S00Q 133.02(19) . . ?
S00R Ag0G S00T 118.24(18) . . ?
S00T Ag0G Ag0B 87.53(11) . . ?
S00T Ag0G Ag0C 50.56(12) . . ?
S00T Ag0G Ag0D 106.03(12) . . ?
Ag0F S00H Ag0A 76.37(11) . . ?
C02X S00H Ag0A 113.0(6) . . ?
C02X S00H Ag0F 109.2(6) . . ?
C01F P00I Au03 115.9(5) . . ?
C01F P00I C02B 104.6(8) . . ?
C01F P00I C02O 102.6(7) . . ?
C02B P00I Au03 115.3(5) . . ?
C02O P00I Au03 111.5(5) . . ?
C02O P00I C02B 105.7(7) . . ?
C01E P00J Au02 111.4(5) . . ?
C01K P00J Au02 116.8(5) . . ?
C01K P00J C01E 104.0(7) . . ?
C01K P00J C01O 104.4(7) . . ?
C01O P00J Au02 114.8(5) . . ?
C01O P00J C01E 104.2(7) . . ?
Ag0E S00K Ag09 74.18(12) . . ?
C01M S00K Ag09 116.8(5) . . ?
C01M S00K Ag0E 108.3(5) . . ?
Ag08 S00L Ag0F 74.32(12) . . ?
C023 S00L Ag08 109.8(5) . . ?
C023 S00L Ag0F 109.5(5) . . ?
Ag0E S00M Ag06 73.22(10) . . ?
C01C S00M Ag06 115.8(5) . . ?
C01C S00M Ag0E 108.5(5) . . ?
Ag07 S00N Ag0F 73.66(11) . . ?
C02R S00N Ag07 111.5(4) . . ?
C02R S00N Ag0F 114.1(4) . . ?
C034 P00O Au05 115.7(5) . . ?
C036 P00O Au05 115.6(7) . . ?
C036 P00O C034 103.4(9) . . ?
C03E P00O Au05 111.1(6) . . ?
C03E P00O C034 106.5(8) . . ?
C03E P00O C036 103.5(8) . . ?
C01H P00P Au04 114.6(5) . . ?
C01H P00P C02G 103.6(7) . . ?
C01H P00P C02S 105.0(7) . . ?
C02G P00P Au04 111.9(5) . . ?
C02S P00P Au04 114.2(5) . . ?
C02S P00P C02G 106.6(7) . . ?
Ag0B S00Q Ag0G 72.38(13) . . ?
C03T S00Q Ag0B 111.7(6) . . ?
C03T S00Q Ag0G 109.1(6) . . ?
Ag0G S00R Ag0D 77.89(13) . . ?
C73 S00R Ag0D 115.6(7) . . ?
C73 S00R Ag0G 111.0(7) . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C04U C2 H2A 109.5 . . ?
C04U C2 H2B 109.5 . . ?
C04U C2 H2C 109.5 . . ?
Ag0C S00T Ag0G 75.75(15) . . ?
C04O S00T Ag0C 110.7(5) . . ?
C04O S00T Ag0G 115.4(5) . . ?
H1BA C1B H1BB 109.5 . . ?
H1BA C1B H1BC 109.5 . . ?
H1BB C1B H1BC 109.5 . . ?
C04A C1B H1BA 109.5 . . ?
C04A C1B H1BB 109.5 . . ?
C04A C1B H1BC 109.5 . . ?
H2BA C2B H2BB 109.5 . . ?
H2BA C2B H2BC 109.5 . . ?
H2BB C2B H2BC 109.5 . . ?
C02N C2B H2BA 109.5 . . ?
C02N C2B H2BB 109.5 . . ?
C02N C2B H2BC 109.5 . . ?
H3BA C3B H3BB 109.5 . . ?
H3BA C3B H3BC 109.5 . . ?
H3BB C3B H3BC 109.5 . . ?
C054 C3B H3BA 109.5 . . ?
C054 C3B H3BB 109.5 . . ?
C054 C3B H3BC 109.5 . . ?
H4BA C4B H4BB 109.5 . . ?
H4BA C4B H4BC 109.5 . . ?
H4BB C4B H4BC 109.5 . . ?
C022 C4B H4BA 109.5 . . ?
C022 C4B H4BB 109.5 . . ?
C022 C4B H4BC 109.5 . . ?
C01A O010 C01P 118.3(12) . . ?
HA C HB 109.5 . . ?
HA C HC 109.5 . . ?
HB C HC 109.5 . . ?
C01X C HA 109.5 . . ?
C01X C HB 109.5 . . ?
C01X C HC 109.5 . . ?
H5BA C5B H5BB 109.5 . . ?
H5BA C5B H5BC 109.5 . . ?
H5BB C5B H5BC 109.5 . . ?
C03W C5B H5BA 109.5 . . ?
C03W C5B H5BB 109.5 . . ?
C03W C5B H5BC 109.5 . . ?
H6BA C6B H6BB 109.5 . . ?
H6BA C6B H6BC 109.5 . . ?
H6BB C6B H6BC 109.5 . . ?
C037 C6B H6BA 109.5 . . ?
C037 C6B H6BB 109.5 . . ?
C037 C6B H6BC 109.5 . . ?
C026 O017 C03B 117.3(13) . . ?
H7BA C7B H7BB 109.5 . . ?
H7BA C7B H7BC 109.5 . . ?
H7BB C7B H7BC 109.5 . . ?
C048 C7B H7BA 109.5 . . ?
C048 C7B H7BB 109.5 . . ?
C048 C7B H7BC 109.5 . . ?
C01H C01A O010 115.4(14) . . ?
C02P C01A O010 118.9(12) . . ?
C02P C01A C01H 125.6(14) . . ?
C01U C01C S00M 121.8(12) . . ?
C01U C01C C025 119.5(14) . . ?
C025 C01C S00M 118.6(11) . . ?
C01L C01E P00J 121.8(11) . . ?
C01L C01E C02T 120.2(13) . . ?
C02T C01E P00J 117.9(12) . . ?
C01W C01F P00I 124.5(13) . . ?
C01W C01F C03B 116.6(15) . . ?
C03B C01F P00I 118.9(12) . . ?
C02B C01G H01G 118.9 . . ?
C02I C01G H01G 118.9 . . ?
C02I C01G C02B 122.1(16) . . ?
C01A C01H P00P 121.8(12) . . ?
C01A C01H C01V 116.2(14) . . ?
C01V C01H P00P 121.8(11) . . ?
C01O C01I H01I 119.9 . . ?
C027 C01I H01I 119.9 . . ?
C027 C01I C01O 120.2(13) . . ?
C02Y C01K P00J 121.2(12) . . ?
C03D C01K P00J 121.4(12) . . ?
C03D C01K C02Y 117.0(14) . . ?
C01E C01L H01L 119.6 . . ?
C02V C01L C01E 120.8(15) . . ?
C02V C01L H01L 119.6 . . ?
C021 C01M S00K 117.8(11) . . ?
C035 C01M S00K 121.7(13) . . ?
C035 C01M C021 120.2(15) . . ?
C01I C01O P00J 122.3(10) . . ?
C01I C01O C01P 116.9(13) . . ?
C01P C01O P00J 120.7(11) . . ?
O010 C01P C01O 114.9(13) . . ?
C01Z C01P O010 122.3(13) . . ?
C01Z C01P C01O 122.5(14) . . ?
C02S C01Q H01Q 119.7 . . ?
C02U C01Q H01Q 119.7 . . ?
C02U C01Q C02S 120.7(17) . . ?
H8BA C8B H8BB 109.5 . . ?
H8BA C8B H8BC 109.5 . . ?
H8BB C8B H8BC 109.5 . . ?
C03N C8B H8BA 109.5 . . ?
C03N C8B H8BB 109.5 . . ?
C03N C8B H8BC 109.5 . . ?
C01W C01S H01S 120.1 . . ?
C01W C01S C04E 119.9(16) . . ?
C04E C01S H01S 120.1 . . ?
C01C C01U C4 119.4(13) . . ?
C01C C01U Cl4 119.4(13) . . ?
C02C C01U C01C 121.5(15) . . ?
C02C C01U C4 119.1(13) . . ?
C02C C01U Cl4 119.1(13) . . ?
C01H C01V H01V 120.4 . . ?
C03F C01V C01H 119.1(13) . . ?
C03F C01V H01V 120.4 . . ?
C01F C01W H01W 118.4 . . ?
C01S C01W C01F 123.2(16) . . ?
C01S C01W H01W 118.4 . . ?
C023 C01X C 123.4(13) . . ?
C023 C01X Cl 123.4(13) . . ?
C03C C01X C 117.9(14) . . ?
C03C C01X C023 118.3(16) . . ?
C03C C01X Cl 117.9(14) . . ?
C01P C01Z H01Z 119.9 . . ?
C01P C01Z C03A 120.3(14) . . ?
C03A C01Z H01Z 119.9 . . ?
C031 C020 H020 119.8 . . ?
C031 C020 C04L 120.5(17) . . ?
C04L C020 H020 119.8 . . ?
C01M C021 C5 121.8(14) . . ?
C01M C021 C046 117.8(15) . . ?
C01M C021 Cl5 121.8(14) . . ?
C046 C021 C5 120.2(15) . . ?
C046 C021 Cl5 120.2(15) . . ?
C023 C022 C4B 118.8(12) . . ?
C023 C022 Cl4A 118.8(12) . . ?
C02Q C022 C4B 119.6(14) . . ?
C02Q C022 C023 121.7(16) . . ?
C02Q C022 Cl4A 119.6(14) . . ?
C01X C023 S00L 118.8(12) . . ?
C022 C023 S00L 122.5(12) . . ?
C022 C023 C01X 117.6(14) . . ?
C02O C024 H024 118.7 . . ?
C03H C024 H024 118.7 . . ?
C03H C024 C02O 122.7(17) . . ?
C01C C025 C0 123.3(14) . . ?
C01C C025 Cl6 123.3(14) . . ?
C033 C025 C01C 115.9(14) . . ?
C033 C025 C0 120.8(14) . . ?
C033 C025 Cl6 120.8(14) . . ?
O017 C026 C02E 120.6(15) . . ?
C034 C026 O017 116.0(15) . . ?
C034 C026 C02E 123.1(18) . . ?
C01I C027 H027 120.2 . . ?
C03A C027 C01I 119.6(14) . . ?
C03A C027 H027 120.2 . . ?
C01U C4 H4A 109.5 . . ?
C01U C4 H4B 109.5 . . ?
C01U C4 H4C 109.5 . . ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C02G C02A H02A 119.4 . . ?
C02G C02A C02H 121.2(16) . . ?
C02H C02A H02A 119.4 . . ?
C01G C02B P00I 118.0(12) . . ?
C02L C02B P00I 125.1(12) . . ?
C02L C02B C01G 116.9(15) . . ?
C01U C02C H02C 119.6 . . ?
C01U C02C C032 120.8(14) . . ?
C032 C02C H02C 119.6 . . ?
C021 C5 H5A 109.5 . . ?
C021 C5 H5B 109.5 . . ?
C021 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C026 C02E H02E 120.5 . . ?
C026 C02E C03J 119.0(17) . . ?
C03J C02E H02E 120.5 . . ?
C02S C02F H02F 119.9 . . ?
C02S C02F C04T 120.1(17) . . ?
C04T C02F H02F 119.9 . . ?
C02A C02G P00P 120.8(13) . . ?
C02K C02G P00P 120.7(12) . . ?
C02K C02G C02A 118.4(14) . . ?
C02A C02H H02H 120.8 . . ?
C03X C02H C02A 118.4(16) . . ?
C03X C02H H02H 120.8 . . ?
C01G C02I H02I 121.4 . . ?
C03Z C02I C01G 117.2(16) . . ?
C03Z C02I H02I 121.4 . . ?
C02G C02K H02K 119.4 . . ?
C02G C02K C03Q 121.2(15) . . ?
C03Q C02K H02K 119.4 . . ?
C02B C02L H02L 118.6 . . ?
C04B C02L C02B 122.8(17) . . ?
C04B C02L H02L 118.6 . . ?
C024 C02O P00I 125.4(13) . . ?
C024 C02O C03R 116.5(15) . . ?
C03R C02O P00I 118.0(11) . . ?
C01A C02P H02P 121.7 . . ?
C01A C02P C03U 116.6(14) . . ?
C03U C02P H02P 121.7 . . ?
C022 C02Q H02Q 119.1 . . ?
C022 C02Q C042 121.7(17) . . ?
C042 C02Q H02Q 119.1 . . ?
C04A C02R S00N 124.2(6) . . ?
C04A C02R C02N 120.0 . . ?
C02N C02R S00N 115.3(6) . . ?
C02R C04A C1B 121.3(7) . . ?
C02R C04A C03L 120.0 . . ?
C02R C04A Cl1A 121.3(7) . . ?
C03L C04A C1B 118.7(7) . . ?
C03L C04A Cl1A 118.7(7) . . ?
C04A C03L H03L 120.0 . . ?
C04A C03L C03Y 120.0 . . ?
C03Y C03L H03L 120.0 . . ?
C03L C03Y H03Y 120.0 . . ?
C028 C03Y C03L 120.0 . . ?
C028 C03Y H03Y 120.0 . . ?
C03Y C028 H028 120.0 . . ?
C02N C028 C03Y 120.0 . . ?
C02N C028 H028 120.0 . . ?
C02R C02N C2B 125.2(7) . . ?
C02R C02N Cl2A 125.2(7) . . ?
C028 C02N C2B 114.8(7) . . ?
C028 C02N C02R 120.0 . . ?
C028 C02N Cl2A 114.8(7) . . ?
C01Q C02S P00P 119.9(13) . . ?
C02F C02S P00P 120.8(13) . . ?
C02F C02S C01Q 119.1(16) . . ?
C01E C02T H02T 120.8 . . ?
C02W C02T C01E 118.4(15) . . ?
C02W C02T H02T 120.8 . . ?
C01Q C02U H02U 118.9 . . ?
C01Q C02U C04S 122.3(17) . . ?
C04S C02U H02U 118.9 . . ?
C01L C02V H02V 119.9 . . ?
C01L C02V C03K 120.2(16) . . ?
C03K C02V H02V 119.9 . . ?
C02T C02W H02W 119.8 . . ?
C02T C02W C03K 120.4(15) . . ?
C03K C02W H02W 119.8 . . ?
C037 C02X S00H 119.7(14) . . ?
C03W C02X S00H 119.9(13) . . ?
C03W C02X C037 120.2(16) . . ?
C01K C02Y H02Y 120.3 . . ?
C031 C02Y C01K 119.3(15) . . ?
C031 C02Y H02Y 120.3 . . ?
C03E C02Z H02Z 119.3 . . ?
C03E C02Z C03M 121.4(16) . . ?
C03M C02Z H02Z 119.3 . . ?
C025 C0 H0A 109.5 . . ?
C025 C0 H0B 109.5 . . ?
C025 C0 H0C 109.5 . . ?
H0A C0 H0B 109.5 . . ?
H0A C0 H0C 109.5 . . ?
H0B C0 H0C 109.5 . . ?
C020 C031 C02Y 122.0(18) . . ?
C020 C031 H031 119.0 . . ?
C02Y C031 H031 119.0 . . ?
C02C C032 H032 120.8 . . ?
C033 C032 C02C 118.4(15) . . ?
C033 C032 H032 120.8 . . ?
C025 C033 H033 118.1 . . ?
C032 C033 C025 123.8(16) . . ?
C032 C033 H033 118.1 . . ?
C026 C034 P00O 123.4(14) . . ?
C026 C034 C04D 117.7(17) . . ?
C04D C034 P00O 118.7(13) . . ?
C01M C035 C03I 119.4(16) . . ?
C01M C035 C9B 122.2(15) . . ?
C01M C035 Cl9A 122.2(15) . . ?
C03I C035 C9B 118.1(15) . . ?
C03I C035 Cl9A 118.1(15) . . ?
C044 C036 P00O 120.4(16) . . ?
C044 C036 C04C 116.9(18) . . ?
C04C C036 P00O 122.6(15) . . ?
C02X C037 C6B 120.8(14) . . ?
C02X C037 Cl6A 120.8(14) . . ?
C04N C037 C6B 118.1(15) . . ?
C04N C037 C02X 120.9(18) . . ?
C04N C037 Cl6A 118.1(15) . . ?
C03I C038 H038 119.2 . . ?
C046 C038 H038 119.2 . . ?
C046 C038 C03I 121.5(18) . . ?
C03R C039 H039 121.2 . . ?
C03V C039 H039 121.2 . . ?
C03V C039 C03R 117.6(17) . . ?
C01Z C03A C027 120.5(15) . . ?
C01Z C03A H03A 119.8 . . ?
C027 C03A H03A 119.8 . . ?
O017 C03B C01F 118.1(14) . . ?
C03S C03B O017 122.0(14) . . ?
C03S C03B C01F 119.8(15) . . ?
C01X C03C H03C 119.4 . . ?
C042 C03C C01X 121.1(17) . . ?
C042 C03C H03C 119.4 . . ?
C01K C03D H03D 118.2 . . ?
C04L C03D C01K 123.5(16) . . ?
C04L C03D H03D 118.2 . . ?
C02Z C03E P00O 119.0(13) . . ?
C02Z C03E C047 117.1(17) . . ?
C047 C03E P00O 124.0(15) . . ?
C01V C03F H03F 120.0 . . ?
C03U C03F C01V 120.0(15) . . ?
C03U C03F H03F 120.0 . . ?
C024 C03H H03H 119.8 . . ?
C024 C03H C03V 120.4(16) . . ?
C03V C03H H03H 119.8 . . ?
C035 C03I H03I 119.8 . . ?
C038 C03I C035 120.4(17) . . ?
C038 C03I H03I 119.8 . . ?
C02E C03J H03J 120.3 . . ?
C041 C03J C02E 119(2) . . ?
C041 C03J H03J 120.3 . . ?
C02V C03K C02W 119.8(14) . . ?
C02V C03K H03K 120.1 . . ?
C02W C03K H03K 120.1 . . ?
C02Z C03M H03M 118.8 . . ?
C04G C03M C02Z 122.4(18) . . ?
C04G C03M H03M 118.8 . . ?
C03T C03N C8B 119.0(15) . . ?
C03T C03N Cl8A 119.0(15) . . ?
C04I C03N C8B 117.3(16) . . ?
C04I C03N C03T 123.4(18) . . ?
C04I C03N Cl8A 117.3(16) . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C045 C3 H3A 109.5 . . ?
C045 C3 H3B 109.5 . . ?
C045 C3 H3C 109.5 . . ?
C035 C9B H9BA 109.5 . . ?
C035 C9B H9BB 109.5 . . ?
C035 C9B H9BC 109.5 . . ?
H9BA C9B H9BB 109.5 . . ?
H9BA C9B H9BC 109.5 . . ?
H9BB C9B H9BC 109.5 . . ?
C02K C03Q H03Q 119.3 . . ?
C03X C03Q C02K 121.4(17) . . ?
C03X C03Q H03Q 119.3 . . ?
C02O C03R H03R 119.8 . . ?
C039 C03R C02O 120.5(15) . . ?
C039 C03R H03R 119.8 . . ?
C03B C03S H03S 120.3 . . ?
C04E C03S C03B 119.3(16) . . ?
C04E C03S H03S 120.3 . . ?
C03N C03T S00Q 121.1(14) . . ?
C045 C03T S00Q 119.5(13) . . ?
C045 C03T C03N 117.8(16) . . ?
C02P C03U H03U 119.0 . . ?
C03F C03U C02P 122.0(16) . . ?
C03F C03U H03U 119.0 . . ?
C039 C03V H03V 119.0 . . ?
C03H C03V C039 121.9(16) . . ?
C03H C03V H03V 119.0 . . ?
C02X C03W C5B 124.1(14) . . ?
C02X C03W C04J 121.4(17) . . ?
C02X C03W Cl5A 124.1(14) . . ?
C04J C03W C5B 114.5(15) . . ?
C04J C03W Cl5A 114.5(15) . . ?
C02H C03X H03X 120.4 . . ?
C03Q C03X C02H 119.2(16) . . ?
C03Q C03X H03X 120.4 . . ?
C02I C03Z H03Z 119.4 . . ?
C02I C03Z C04B 121.3(17) . . ?
C04B C03Z H03Z 119.4 . . ?
C04C C040 H040 121.6 . . ?
C04C C040 C04P 116.9(19) . . ?
C04P C040 H040 121.6 . . ?
C03J C041 H041 120.2 . . ?
C03J C041 C04D 120(2) . . ?
C04D C041 H041 120.2 . . ?
C02Q C042 C03C 119.3(17) . . ?
C02Q C042 H042 120.3 . . ?
C03C C042 H042 120.3 . . ?
C036 C044 H044 117.6 . . ?
C04R C044 C036 125(2) . . ?
C04R C044 H044 117.6 . . ?
C03T C045 C3 121.4(17) . . ?
C03T C045 Cl3 121.4(17) . . ?
C04V C045 C3 121.1(17) . . ?
C04V C045 C03T 117.4(18) . . ?
C04V C045 Cl3 121.1(17) . . ?
C021 C046 H046 119.8 . . ?
C038 C046 C021 120.3(18) . . ?
C038 C046 H046 119.8 . . ?
C03E C047 H047 119.2 . . ?
C03E C047 C04K 121.6(18) . . ?
C04K C047 H047 119.2 . . ?
C04I C049 H049 121.3 . . ?
C04V C049 H049 121.3 . . ?
C04V C049 C04I 117.5(19) . . ?
C02L C04B C03Z 119.6(17) . . ?
C02L C04B H04B 120.2 . . ?
C03Z C04B H04B 120.2 . . ?
C036 C04C H04C 118.8 . . ?
C040 C04C C036 122.4(19) . . ?
C040 C04C H04C 118.8 . . ?
C034 C04D C041 121.1(18) . . ?
C034 C04D H04D 119.5 . . ?
C041 C04D H04D 119.5 . . ?
C01S C04E C03S 121.1(16) . . ?
C01S C04E H04E 119.5 . . ?
C03S C04E H04E 119.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C58 C1 H1A 109.5 . . ?
C58 C1 H1B 109.5 . . ?
C58 C1 H1C 109.5 . . ?
C03M C04G H04G 121.1 . . ?
C04K C04G C03M 117.7(18) . . ?
C04K C04G H04G 121.1 . . ?
C03N C04I C049 119.3(18) . . ?
C03N C04I H04I 120.4 . . ?
C049 C04I H04I 120.4 . . ?
C03W C04J H04J 123.6 . . ?
C03W C04J C04Y 112.9(18) . . ?
C04Y C04J H04J 123.6 . . ?
C047 C04K H04K 120.1 . . ?
C04G C04K C047 119.7(17) . . ?
C04G C04K H04K 120.1 . . ?
C020 C04L H04L 121.3 . . ?
C03D C04L C020 117.4(16) . . ?
C03D C04L H04L 121.3 . . ?
C037 C04N H04N 120.6 . . ?
C04Y C04N C037 118.7(19) . . ?
C04Y C04N H04N 120.6 . . ?
C04U C04O S00T 123.5(9) . . ?
C04U C04O C054 120.0 . . ?
C054 C04O S00T 115.0(9) . . ?
C04O C04U C2 122.3(9) . . ?
C04O C04U C050 120.0 . . ?
C04O C04U Cl2 122.3(9) . . ?
C050 C04U C2 117.7(9) . . ?
C050 C04U Cl2 117.7(9) . . ?
C04U C050 H050 120.0 . . ?
C110 C050 C04U 120.0 . . ?
C110 C050 H050 120.0 . . ?
C050 C110 H110 120.0 . . ?
C167 C110 C050 120.0 . . ?
C167 C110 H110 120.0 . . ?
C110 C167 H167 120.0 . . ?
C110 C167 C054 120.0 . . ?
C054 C167 H167 120.0 . . ?
C04O C054 C3B 123.2(10) . . ?
C04O C054 Cl3A 123.2(10) . . ?
C167 C054 C3B 116.8(10) . . ?
C167 C054 C04O 120.0 . . ?
C167 C054 Cl3A 116.8(10) . . ?
C040 C04P H04P 120.1 . . ?
C04R C04P C040 119.7(19) . . ?
C04R C04P H04P 120.1 . . ?
C044 C04R C04P 119(2) . . ?
C044 C04R H04R 120.4 . . ?
C04P C04R H04R 120.4 . . ?
C02U C04S H04S 123.0 . . ?
C04T C04S C02U 114.0(17) . . ?
C04T C04S H04S 123.0 . . ?
C02F C04T C04S 123.8(18) . . ?
C02F C04T H04T 118.1 . . ?
C04S C04T H04T 118.1 . . ?
C045 C04V C049 124(2) . . ?
C045 C04V H04V 118.1 . . ?
C049 C04V H04V 118.1 . . ?
C04J C04Y H04Y 117.1 . . ?
C04N C04Y C04J 125.8(19) . . ?
C04N C04Y H04Y 117.1 . . ?
C58 C73 S00R 120.0(11) . . ?
C58 C73 C048 120.0 . . ?
C048 C73 S00R 120.0(11) . . ?
C73 C58 C1 120.6(13) . . ?
C73 C58 C04W 120.0 . . ?
C73 C58 Cl1 120.6(13) . . ?
C04W C58 C1 119.2(13) . . ?
C04W C58 Cl1 119.2(13) . . ?
C58 C04W H04W 120.0 . . ?
C122 C04W C58 120.0 . . ?
C122 C04W H04W 120.0 . . ?
C04W C122 H122 120.0 . . ?
C04Q C122 C04W 120.0 . . ?
C04Q C122 H122 120.0 . . ?
C122 C04Q H04Q 120.0 . . ?
C122 C04Q C048 120.0 . . ?
C048 C04Q H04Q 120.0 . . ?
C73 C048 C7B 122.9(13) . . ?
C73 C048 Cl7A 122.9(13) . . ?
C04Q C048 C7B 116.7(13) . . ?
C04Q C048 C73 120.0 . . ?
C04Q C048 Cl7A 116.7(13) . . ?
C04A Cl1A Ag07 103.4(4) . . ?
C04U Cl2 Ag0C 102.8(5) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Au02 P00J C01E C01L 131.6(12) . . . . ?
Au02 P00J C01E C02T -45.9(13) . . . . ?
Au02 P00J C01K C02Y 157.8(10) . . . . ?
Au02 P00J C01K C03D -29.4(13) . . . . ?
Au02 P00J C01O C01I 128.2(12) . . . . ?
Au02 P00J C01O C01P -54.4(14) . . . . ?
Au03 P00I C01F C01W 125.7(13) . . . . ?
Au03 P00I C01F C03B -52.6(15) . . . . ?
Au03 P00I C02B C01G -40.9(13) . . . . ?
Au03 P00I C02B C02L 139.2(12) . . . . ?
Au03 P00I C02O C024 129.3(13) . . . . ?
Au03 P00I C02O C03R -47.6(14) . . . . ?
Au04 P00P C01H C01A -51.7(15) . . . . ?
Au04 P00P C01H C01V 123.1(11) . . . . ?
Au04 P00P C02G C02A 134.7(12) . . . . ?
Au04 P00P C02G C02K -42.3(15) . . . . ?
Au04 P00P C02S C01Q 146.3(10) . . . . ?
Au04 P00P C02S C02F -39.1(14) . . . . ?
Au05 P00O C034 C026 -51.8(18) . . . . ?
Au05 P00O C034 C04D 133.5(13) . . . . ?
Au05 P00O C036 C044 -43.4(17) . . . . ?
Au05 P00O C036 C04C 140.7(13) . . . . ?
Au05 P00O C03E C02Z -29.2(18) . . . . ?
Au05 P00O C03E C047 149.8(15) . . . . ?
Ag06 S00M C01C C01U -137.8(11) . . . . ?
Ag06 S00M C01C C025 46.1(14) . . . . ?
Ag07 S00N C02R C04A -7.4(7) . . . . ?
Ag07 S00N C02R C02N 164.3(4) . . . . ?
Ag08 S00L C023 C01X 61.4(13) . . . . ?
Ag08 S00L C023 C022 -131.2(12) . . . . ?
Ag09 S00K C01M C021 45.4(15) . . . . ?
Ag09 S00K C01M C035 -140.0(13) . . . . ?
Ag0A S00H C02X C037 48.1(16) . . . . ?
Ag0A S00H C02X C03W -137.0(13) . . . . ?
Ag0B S00Q C03T C03N 64.0(16) . . . . ?
Ag0B S00Q C03T C045 -130.3(14) . . . . ?
Ag0C S00T C04O C04U -4.9(10) . . . . ?
Ag0C S00T C04O C054 161.2(6) . . . . ?
Ag0D S00R C73 C58 -140.5(9) . . . . ?
Ag0D S00R C73 C048 40.9(13) . . . . ?
Ag0E S00K C01M C021 126.4(12) . . . . ?
Ag0E S00K C01M C035 -58.9(15) . . . . ?
Ag0E S00M C01C C01U -57.9(13) . . . . ?
Ag0E S00M C01C C025 125.9(12) . . . . ?
Ag0F S00H C02X C037 131.1(13) . . . . ?
Ag0F S00H C02X C03W -54.1(16) . . . . ?
Ag0F S00L C023 C01X 141.2(11) . . . . ?
Ag0F S00L C023 C022 -51.4(14) . . . . ?
Ag0F S00N C02R C04A 73.6(7) . . . . ?
Ag0F S00N C02R C02N -114.6(5) . . . . ?
Ag0G S00Q C03T C03N 142.1(14) . . . . ?
Ag0G S00Q C03T C045 -52.3(16) . . . . ?
Ag0G S00R C73 C58 -54.2(12) . . . . ?
Ag0G S00R C73 C048 127.2(10) . . . . ?
Ag0G S00T C04O C04U 78.6(9) . . . . ?
Ag0G S00T C04O C054 -115.2(7) . . . . ?
S00H C02X C037 C6B -7(2) . . . . ?
S00H C02X C037 C04N 179.4(14) . . . . ?
S00H C02X C037 Cl6A -7(2) . . . . ?
S00H C02X C03W C5B 0(2) . . . . ?
S00H C02X C03W C04J -179.5(14) . . . . ?
S00H C02X C03W Cl5A 0(2) . . . . ?
P00I C01F C01W C01S -175.9(14) . . . . ?
P00I C01F C03B O017 -3(2) . . . . ?
P00I C01F C03B C03S 178.8(13) . . . . ?
P00I C02B C02L C04B 179.3(13) . . . . ?
P00I C02O C03R C039 -177.0(12) . . . . ?
P00J C01E C01L C02V -179.3(12) . . . . ?
P00J C01E C02T C02W -179.9(12) . . . . ?
P00J C01K C02Y C031 174.4(11) . . . . ?
P00J C01K C03D C04L -173.5(13) . . . . ?
P00J C01O C01P O010 4.4(19) . . . . ?
P00J C01O C01P C01Z 178.6(13) . . . . ?
S00K C01M C021 C5 -3(2) . . . . ?
S00K C01M C021 C046 171.9(13) . . . . ?
S00K C01M C021 Cl5 -3(2) . . . . ?
S00K C01M C035 C03I -168.5(13) . . . . ?
S00K C01M C035 C9B 5(2) . . . . ?
S00K C01M C035 Cl9A 5(2) . . . . ?
S00M C01C C01U C4 2(2) . . . . ?
S00M C01C C01U C02C -178.7(12) . . . . ?
S00M C01C C01U Cl4 2(2) . . . . ?
S00M C01C C025 C0 2(2) . . . . ?
S00M C01C C025 C033 -180.0(12) . . . . ?
S00M C01C C025 Cl6 2(2) . . . . ?
S00N C02R C04A C1B -9.8(9) . . . . ?
S00N C02R C04A C03L 171.4(8) . . . . ?
S00N C02R C04A Cl1A -9.8(9) . . . . ?
S00N C02R C02N C2B 8.5(8) . . . . ?
S00N C02R C02N C028 -172.1(8) . . . . ?
S00N C02R C02N Cl2A 8.5(8) . . . . ?
P00O C034 C04D C041 175.4(16) . . . . ?
P00O C036 C044 C04R -177.5(16) . . . . ?
P00O C036 C04C C040 176.2(14) . . . . ?
P00O C03E C047 C04K -179.8(15) . . . . ?
P00P C01H C01V C03F -178.9(12) . . . . ?
P00P C02G C02K C03Q -179.5(13) . . . . ?
S00Q C03T C045 C3 6(2) . . . . ?
S00Q C03T C045 C04V -176.1(15) . . . . ?
S00Q C03T C045 Cl3 6(2) . . . . ?
S00R C73 C58 C1 -2.7(17) . . . . ?
S00R C73 C58 C04W -178.6(15) . . . . ?
S00R C73 C58 Cl1 -2.7(17) . . . . ?
S00R C73 C048 C7B -8.7(17) . . . . ?
S00R C73 C048 C04Q 178.6(15) . . . . ?
S00R C73 C048 Cl7A -8.7(17) . . . . ?
C2 C04U C050 C110 178.4(12) . . . . ?
S00T C04O C04U C2 -12.8(12) . . . . ?
S00T C04O C04U C050 165.5(12) . . . . ?
S00T C04O C04U Cl2 -12.8(12) . . . . ?
S00T C04O C054 C3B 12.0(12) . . . . ?
S00T C04O C054 C167 -166.7(11) . . . . ?
S00T C04O C054 Cl3A 12.0(12) . . . . ?
C1B C04A C03L C03Y -178.8(8) . . . . ?
C4B C022 C023 S00L 6(2) . . . . ?
C4B C022 C023 C01X 173.8(12) . . . . ?
C4B C022 C02Q C042 -177.9(14) . . . . ?
O010 C01A C01H P00P 0(2) . . . . ?
O010 C01A C01H C01V -175.5(13) . . . . ?
O010 C01A C02P C03U 175.3(14) . . . . ?
O010 C01P C01Z C03A 178.9(14) . . . . ?
C C01X C023 S00L -14(2) . . . . ?
C C01X C023 C022 178.3(13) . . . . ?
C C01X C03C C042 -176.4(14) . . . . ?
C5B C03W C04J C04Y -177.9(14) . . . . ?
C6B C037 C04N C04Y -175.5(16) . . . . ?
O017 C026 C02E C03J 172.7(17) . . . . ?
O017 C026 C034 P00O 11(2) . . . . ?
O017 C026 C034 C04D -173.9(16) . . . . ?
O017 C03B C03S C04E 178.3(15) . . . . ?
C01A O010 C01P C01O -125.9(14) . . . . ?
C01A O010 C01P C01Z 60(2) . . . . ?
C01A C01H C01V C03F -4(2) . . . . ?
C01A C02P C03U C03F 4(3) . . . . ?
C01C C01U C02C C032 1(2) . . . . ?
C01C C025 C033 C032 -4(2) . . . . ?
C01E P00J C01K C02Y -79.2(13) . . . . ?
C01E P00J C01K C03D 93.7(13) . . . . ?
C01E P00J C01O C01I 6.2(15) . . . . ?
C01E P00J C01O C01P -176.5(13) . . . . ?
C01E C01L C02V C03K -1(2) . . . . ?
C01E C02T C02W C03K -1(2) . . . . ?
C01F P00I C02B C01G -169.3(12) . . . . ?
C01F P00I C02B C02L 10.7(15) . . . . ?
C01F P00I C02O C024 -106.1(15) . . . . ?
C01F P00I C02O C03R 77.1(14) . . . . ?
C01F C03B C03S C04E -3(3) . . . . ?
C01G C02B C02L C04B -1(2) . . . . ?
C01G C02I C03Z C04B 4(2) . . . . ?
C01H P00P C02G C02A -101.3(14) . . . . ?
C01H P00P C02G C02K 81.7(15) . . . . ?
C01H P00P C02S C01Q 20.0(13) . . . . ?
C01H P00P C02S C02F -165.5(13) . . . . ?
C01H C01A C02P C03U -8(3) . . . . ?
C01H C01V C03F C03U 1(2) . . . . ?
C01I C01O C01P O010 -178.2(13) . . . . ?
C01I C01O C01P C01Z -4(2) . . . . ?
C01I C027 C03A C01Z 2(2) . . . . ?
C01K P00J C01E C01L 5.0(15) . . . . ?
C01K P00J C01E C02T -172.4(12) . . . . ?
C01K P00J C01O C01I -102.6(13) . . . . ?
C01K P00J C01O C01P 74.7(14) . . . . ?
C01K C02Y C031 C020 1(2) . . . . ?
C01K C03D C04L C020 -3(2) . . . . ?
C01L C01E C02T C02W 3(2) . . . . ?
C01L C02V C03K C02W 3(2) . . . . ?
C01M C021 C046 C038 1(3) . . . . ?
C01M C035 C03I C038 -7(3) . . . . ?
C01O P00J C01E C01L -104.1(13) . . . . ?
C01O P00J C01E C02T 78.5(13) . . . . ?
C01O P00J C01K C02Y 29.8(13) . . . . ?
C01O P00J C01K C03D -157.3(12) . . . . ?
C01O C01I C027 C03A 0(2) . . . . ?
C01O C01P C01Z C03A 5(3) . . . . ?
C01P O010 C01A C01H -140.5(14) . . . . ?
C01P O010 C01A C02P 37(2) . . . . ?
C01P C01Z C03A C027 -4(3) . . . . ?
C01Q C02U C04S C04T -1(2) . . . . ?
C8B C03N C03T S00Q -10(2) . . . . ?
C8B C03N C03T C045 -175.7(15) . . . . ?
C8B C03N C04I C049 -179.7(15) . . . . ?
C01U C01C C025 C0 -173.8(14) . . . . ?
C01U C01C C025 C033 4(2) . . . . ?
C01U C01C C025 Cl6 -173.8(14) . . . . ?
C01U C02C C032 C033 -1(2) . . . . ?
C01V C03F C03U C02P -1(3) . . . . ?
C01W C01F C03B O017 178.8(14) . . . . ?
C01W C01F C03B C03S 0(2) . . . . ?
C01W C01S C04E C03S -1(3) . . . . ?
C01X C03C C042 C02Q 0(3) . . . . ?
C021 C01M C035 C03I 6(3) . . . . ?
C021 C01M C035 C9B 179.7(16) . . . . ?
C021 C01M C035 Cl9A 179.7(16) . . . . ?
C022 C02Q C042 C03C 2(3) . . . . ?
C023 C01X C03C C042 -4(3) . . . . ?
C023 C022 C02Q C042 1(3) . . . . ?
C024 C02O C03R C039 6(2) . . . . ?
C024 C03H C03V C039 3(3) . . . . ?
C025 C01C C01U C4 177.8(13) . . . . ?
C025 C01C C01U C02C -3(2) . . . . ?
C025 C01C C01U Cl4 177.8(13) . . . . ?
C026 O017 C03B C01F -134.4(16) . . . . ?
C026 O017 C03B C03S 44(2) . . . . ?
C026 C02E C03J C041 1(3) . . . . ?
C026 C034 C04D C041 0(3) . . . . ?
C027 C01I C01O P00J 178.9(12) . . . . ?
C027 C01I C01O C01P 2(2) . . . . ?
C4 C01U C02C C032 -179.1(14) . . . . ?
C02A C02G C02K C03Q 3(3) . . . . ?
C02A C02H C03X C03Q 0(3) . . . . ?
C02B P00I C01F C01W -106.2(15) . . . . ?
C02B P00I C01F C03B 75.5(14) . . . . ?
C02B P00I C02O C024 3.2(17) . . . . ?
C02B P00I C02O C03R -173.6(13) . . . . ?
C02B C01G C02I C03Z -4(2) . . . . ?
C02B C02L C04B C03Z 0(3) . . . . ?
C02C C032 C033 C025 3(3) . . . . ?
C5 C021 C046 C038 176.1(16) . . . . ?
C02E C026 C034 P00O -174.4(14) . . . . ?
C02E C026 C034 C04D 0(3) . . . . ?
C02E C03J C041 C04D -1(3) . . . . ?
C02G P00P C01H C01A -173.9(13) . . . . ?
C02G P00P C01H C01V 0.9(14) . . . . ?
C02G P00P C02S C01Q -89.6(13) . . . . ?
C02G P00P C02S C02F 85.0(14) . . . . ?
C02G C02A C02H C03X 4(3) . . . . ?
C02G C02K C03Q C03X 0(3) . . . . ?
C02H C02A C02G P00P 177.5(13) . . . . ?
C02H C02A C02G C02K -5(3) . . . . ?
C02I C01G C02B P00I -177.3(12) . . . . ?
C02I C01G C02B C02L 3(2) . . . . ?
C02I C03Z C04B C02L -2(2) . . . . ?
C02K C03Q C03X C02H -2(3) . . . . ?
C02O P00I C01F C01W 4.0(17) . . . . ?
C02O P00I C01F C03B -174.3(14) . . . . ?
C02O P00I C02B C01G 82.8(13) . . . . ?
C02O P00I C02B C02L -97.2(14) . . . . ?
C02O C024 C03H C03V -3(3) . . . . ?
C02P C01A C01H P00P -177.4(14) . . . . ?
C02P C01A C01H C01V 8(2) . . . . ?
C02Q C022 C023 S00L -172.7(13) . . . . ?
C02Q C022 C023 C01X -5(2) . . . . ?
C02R C04A C03L C03Y 0.0 . . . . ?
C02R C04A Cl1A Ag07 18.6(7) . . . . ?
C04A C02R C02N C2B -179.3(9) . . . . ?
C04A C02R C02N C028 0.0 . . . . ?
C04A C02R C02N Cl2A -179.3(9) . . . . ?
C04A C03L C03Y C028 0.0 . . . . ?
C03L C04A Cl1A Ag07 -162.5(5) . . . . ?
C03L C03Y C028 C02N 0.0 . . . . ?
C03Y C028 C02N C2B 179.4(8) . . . . ?
C03Y C028 C02N C02R 0.0 . . . . ?
C03Y C028 C02N Cl2A 179.4(8) . . . . ?
C02N C02R C04A C1B 178.8(9) . . . . ?
C02N C02R C04A C03L 0.0 . . . . ?
C02N C02R C04A Cl1A 178.8(9) . . . . ?
C02S P00P C01H C01A 74.4(14) . . . . ?
C02S P00P C01H C01V -110.8(13) . . . . ?
C02S P00P C02G C02A 9.2(16) . . . . ?
C02S P00P C02G C02K -167.7(14) . . . . ?
C02S C01Q C02U C04S 3(2) . . . . ?
C02S C02F C04T C04S 4(3) . . . . ?
C02T C01E C01L C02V -2(2) . . . . ?
C02T C02W C03K C02V -2(2) . . . . ?
C02U C01Q C02S P00P 174.0(12) . . . . ?
C02U C01Q C02S C02F -1(2) . . . . ?
C02U C04S C04T C02F -2(3) . . . . ?
C02X C037 C04N C04Y -1(3) . . . . ?
C02X C03W C04J C04Y 2(3) . . . . ?
C02Y C01K C03D C04L 0(2) . . . . ?
C02Z C03E C047 C04K -1(3) . . . . ?
C02Z C03M C04G C04K -2(3) . . . . ?
C0 C025 C033 C032 173.5(16) . . . . ?
C031 C020 C04L C03D 6(2) . . . . ?
C034 P00O C036 C044 -170.8(15) . . . . ?
C034 P00O C036 C04C 13.3(17) . . . . ?
C034 P00O C03E C02Z 97.6(17) . . . . ?
C034 P00O C03E C047 -83.4(18) . . . . ?
C034 C026 C02E C03J -1(3) . . . . ?
C035 C01M C021 C5 -178.1(15) . . . . ?
C035 C01M C021 C046 -3(3) . . . . ?
C035 C01M C021 Cl5 -178.1(15) . . . . ?
C036 P00O C034 C026 75.5(17) . . . . ?
C036 P00O C034 C04D -99.2(16) . . . . ?
C036 P00O C03E C02Z -153.8(16) . . . . ?
C036 P00O C03E C047 25.2(19) . . . . ?
C036 C044 C04R C04P 3(3) . . . . ?
C037 C02X C03W C5B 174.9(15) . . . . ?
C037 C02X C03W C04J -5(3) . . . . ?
C037 C02X C03W Cl5A 174.9(15) . . . . ?
C037 C04N C04Y C04J -2(3) . . . . ?
C03B O017 C026 C02E 42(2) . . . . ?
C03B O017 C026 C034 -143.9(16) . . . . ?
C03B C01F C01W C01S 2(3) . . . . ?
C03B C03S C04E C01S 4(3) . . . . ?
C03C C01X C023 S00L 174.5(12) . . . . ?
C03C C01X C023 C022 6(2) . . . . ?
C03D C01K C02Y C031 1(2) . . . . ?
C03E P00O C034 C026 -175.8(16) . . . . ?
C03E P00O C034 C04D 9.5(17) . . . . ?
C03E P00O C036 C044 78.2(16) . . . . ?
C03E P00O C036 C04C -97.6(16) . . . . ?
C03E C02Z C03M C04G 1(3) . . . . ?
C03E C047 C04K C04G 0(3) . . . . ?
C03H C024 C02O P00I -178.5(13) . . . . ?
C03H C024 C02O C03R -2(2) . . . . ?
C03I C038 C046 C021 -2(3) . . . . ?
C03J C041 C04D C034 0(3) . . . . ?
C03M C02Z C03E P00O 179.1(14) . . . . ?
C03M C02Z C03E C047 0(3) . . . . ?
C03M C04G C04K C047 1(3) . . . . ?
C03N C03T C045 C3 172.2(16) . . . . ?
C03N C03T C045 C04V -10(3) . . . . ?
C03N C03T C045 Cl3 172.2(16) . . . . ?
C3 C045 C04V C049 -176.0(18) . . . . ?
C9B C035 C03I C038 178.7(16) . . . . ?
C03R C039 C03V C03H 1(3) . . . . ?
C03T C03N C04I C049 -6(3) . . . . ?
C03T C045 C04V C049 6(3) . . . . ?
C03V C039 C03R C02O -6(2) . . . . ?
C03W C02X C037 C6B 178.5(15) . . . . ?
C03W C02X C037 C04N 5(3) . . . . ?
C03W C02X C037 Cl6A 178.5(15) . . . . ?
C03W C04J C04Y C04N 2(3) . . . . ?
C040 C04P C04R C044 -4(3) . . . . ?
C044 C036 C04C C040 0(3) . . . . ?
C046 C038 C03I C035 5(3) . . . . ?
C04C C036 C044 C04R -1(3) . . . . ?
C04C C040 C04P C04R 3(3) . . . . ?
C04E C01S C01W C01F -2(3) . . . . ?
C1 C58 C04W C122 -176.0(18) . . . . ?
C04I C03N C03T S00Q 176.1(16) . . . . ?
C04I C03N C03T C045 10(3) . . . . ?
C04I C049 C04V C045 -2(3) . . . . ?
C04L C020 C031 C02Y -5(2) . . . . ?
C04O C04U C050 C110 0.0 . . . . ?
C04O C04U Cl2 Ag0C 20.5(10) . . . . ?
C04U C04O C054 C3B 178.7(13) . . . . ?
C04U C04O C054 C167 0.0 . . . . ?
C04U C04O C054 Cl3A 178.7(13) . . . . ?
C04U C050 C110 C167 0.0 . . . . ?
C050 C04U Cl2 Ag0C -157.9(7) . . . . ?
C050 C110 C167 C054 0.0 . . . . ?
C110 C167 C054 C3B -178.8(12) . . . . ?
C110 C167 C054 C04O 0.0 . . . . ?
C110 C167 C054 Cl3A -178.8(12) . . . . ?
C054 C04O C04U C2 -178.3(12) . . . . ?
C054 C04O C04U C050 0.0 . . . . ?
C054 C04O C04U Cl2 -178.3(12) . . . . ?
C04P C040 C04C C036 -1(3) . . . . ?
C04T C02F C02S P00P -176.9(12) . . . . ?
C04T C02F C02S C01Q -2(2) . . . . ?
C04V C049 C04I C03N 1(3) . . . . ?
C73 C58 C04W C122 0.0 . . . . ?
C58 C73 C048 C7B 172.7(17) . . . . ?
C58 C73 C048 C04Q 0.0 . . . . ?
C58 C73 C048 Cl7A 172.7(17) . . . . ?
C58 C04W C122 C04Q 0.0 . . . . ?
C04W C122 C04Q C048 0.0 . . . . ?
C122 C04Q C048 C7B -173.1(16) . . . . ?
C122 C04Q C048 C73 0.0 . . . . ?
C122 C04Q C048 Cl7A -173.1(16) . . . . ?
C048 C73 C58 C1 175.9(18) . . . . ?
C048 C73 C58 C04W 0.0 . . . . ?
C048 C73 C58 Cl1 175.9(18) . . . . ?
Cl1A C04A C03L C03Y -178.8(8) . . . . ?
Cl4A C022 C023 S00L 6(2) . . . . ?
Cl4A C022 C023 C01X 173.8(12) . . . . ?
Cl4A C022 C02Q C042 -177.9(14) . . . . ?
Cl C01X C023 S00L -14(2) . . . . ?
Cl C01X C023 C022 178.3(13) . . . . ?
Cl C01X C03C C042 -176.4(14) . . . . ?
Cl1 C58 C04W C122 -176.0(18) . . . . ?
Cl2 C04U C050 C110 178.4(12) . . . . ?
Cl5A C03W C04J C04Y -177.9(14) . . . . ?
Cl6A C037 C04N C04Y -175.5(16) . . . . ?
Cl8A C03N C03T S00Q -10(2) . . . . ?
Cl8A C03N C03T C045 -175.7(15) . . . . ?
Cl8A C03N C04I C049 -179.7(15) . . . . ?
Cl3 C045 C04V C049 -176.0(18) . . . . ?
Cl6 C025 C033 C032 173.5(16) . . . . ?
Cl4 C01U C02C C032 -179.1(14) . . . . ?
Cl5 C021 C046 C038 176.1(16) . . . . ?
Cl9A C035 C03I C038 178.7(16) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 -0.043 -0.212 0.094 305.1 77.2 ?
2 0.043 0.212 0.906 305.1 72.1 ?
3 0.043 0.288 0.406 305.1 74.6 ?
4 -0.043 0.712 0.594 305.1 74.6 ?
5 0.250 0.750 0.750 793.7 202.4 ?
6 0.250 0.750 0.250 793.7 202.4 ?
7 0.152 0.111 0.560 124.5 43.3 ?
8 0.152 0.389 0.060 124.5 43.3 ?
9 0.250 0.222 1.000 50.2 8.1 ?
10 0.250 0.278 0.500 50.2 8.5 ?
11 0.348 0.389 0.940 124.5 37.2 ?
12 0.348 0.111 0.440 124.5 37.2 ?
13 0.457 0.212 0.094 305.1 74.6 ?
14 0.457 0.288 0.594 305.1 77.2 ?
15 0.543 0.712 0.406 305.1 72.1 ?
16 0.543 0.788 0.906 305.1 74.6 ?
17 0.750 0.250 0.250 793.7 202.4 ?
18 0.750 0.250 0.750 793.7 202.4 ?
19 0.652 0.611 0.060 124.5 43.3 ?
20 0.652 0.889 0.560 124.5 43.3 ?
21 0.750 0.722 0.500 50.2 8.1 ?
22 0.750 0.778 0.000 50.2 8.5 ?
23 0.848 0.889 0.440 124.5 37.2 ?
24 0.848 0.611 0.940 124.5 37.2 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
_STOE_detector_distance          '60.0 mm'
_STOE_detector_pixelsize_x       '0.172 mm'
_STOE_detector_pixelsize_y       '0.172 mm'
_STOE_detector_size_x            '8.4 cm'
_STOE_detector_size_y            '10.6 cm'
_STOE_evaluation_integration_A   5.5
_STOE_evaluation_integration_B   -0.7
_STOE_evaluation_integration_EMS 0.020
_STOE_evaluation_LANA_BIS_l_even_max -
_STOE_evaluation_LANA_BIS_l_odd_max -
_STOE_evaluation_LANA_BOS_l_even_max 4
_STOE_evaluation_LANA_BOS_l_odd_max 1
_STOE_evaluation_LANA_completeness 93.5
_STOE_evaluation_LANA_DXS_max_order 3
_STOE_evaluation_LANA_DYS_max_order 3
_STOE_evaluation_LANA_FS_max_order 3
_STOE_evaluation_LANA_max_2theta_available 140.3
_STOE_evaluation_LANA_max_2theta_desired 140.3
_STOE_evaluation_LANA_mean_redundancy 2.6
_STOE_evaluation_LANA_number_refls_after_OR 73717
_STOE_evaluation_LANA_number_refls_outliers 7136
_STOE_evaluation_LANA_number_refls_total 80853
_STOE_evaluation_LANA_number_refls_unique 28219
_STOE_evaluation_LANA_number_refls_written 73717
_STOE_evaluation_LANA_OR_c1      0.035
_STOE_evaluation_LANA_OR_c2      0
_STOE_evaluation_LANA_OR_c3      0
_STOE_evaluation_LANA_OR_c4      0.7
_STOE_evaluation_LANA_point_group -1
_STOE_evaluation_LANA_table      
;
#----------------------------------------------------------------------------
2Theta          18.3   32.7   47.1   61.5   75.9   90.3  104.7  119.1  133.5
#----------------------------------------------------------------------------
<Resolution>    4.33   2.66   1.91   1.50   1.24   1.09   0.97   0.90   0.85
N(total)         841   2821   4922   6118  16455  15534  14982  12767   6413
<Redundancy>     2.0    2.2    2.1    1.9    3.7    3.0    2.8    2.4    1.9
Complet. [%%]    96.1   98.9   98.6   95.5   98.3   98.3   97.8   96.1   70.8
<I/sigma>       22.1   23.6   14.6    6.6    4.6    3.2    2.3    2.7    1.9
R(int)         0.037  0.034  0.038  0.067  0.068  0.088  0.124  0.112  0.166
#----------------------------------------------------------------------------
;
_STOE_measurement_identifier     1
_STOE_measurement_max_exposure_per_frame '1.0 s'
_STOE_measurement_mean_exposure_per_frame '1.0 s'
_STOE_measurement_min_exposure_per_frame '1.0 s'
_STOE_measurement_total_exposure_time '35 min'
_STOE_measurement_total_frame_number 2094
_STOE_measurement_total_run_number 36
_STOE_measurement_tube_power     '30.0 W'
