# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
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data_20210713li_zy_xjy_aucu_redo_0m_a_sq
_database_code_depnum_ccdc_archive 'CCDC 2351857'
loop_
_audit_author_name
_audit_author_address
'Shisi Tang'
;Nanjing University
China
;
_audit_update_record             
;
2024-04-29 deposited with the CCDC.	2024-06-28 downloaded from the CCDC.
;
_audit_creation_method           
;
FinalCif V69 by Daniel Kratzert, Freiburg 2019,
https://github.com/dkratzert/FinalCif
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_sum            'C240 H152 Au28 Cl48 Cu12 P4 S24'
_chemical_formula_moiety         ?
_chemical_formula_weight         11908.07
_chemical_melting_point          ?
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

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

_cell_length_a                   22.0728(13)
_cell_length_b                   27.5087(14)
_cell_length_c                   27.5493(15)
_cell_angle_alpha                86.596(2)
_cell_angle_beta                 78.050(2)
_cell_angle_gamma                88.550(2)
_cell_volume                     16334.9(16)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    9858
_cell_measurement_theta_min      2.2535
_cell_measurement_theta_max      27.546
_exptl_crystal_description       block
_exptl_crystal_colour            ?
_exptl_crystal_recrystallization_method ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.421
_exptl_crystal_F_000             10824
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_absorpt_coefficient_mu    13.884
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.0649
_exptl_absorpt_correction_T_max  0.2617
_exptl_absorpt_process_details   
;
SADABS-2016/2 - Bruker AXS area detector scaling and absorption correction:
Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D., J. Appl. Cryst. 48
(2015) 3-10
;
_exptl_absorpt_special_details   ?
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_special_details           ?
_diffrn_ambient_temperature      296(2)
_diffrn_ambient_environment      N~2~
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  'mirror optics'
_olex2_diffrn_ambient_temperature_device 'Oxford Cryostream 800'
_diffrn_radiation_probe          x-ray
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_type              'Incoatec I\ms'
_diffrn_source_voltage           50.0
_diffrn_source_current           40.0
_diffrn_detector                 CPAD
_diffrn_detector_type            'Bruker PHOTON III'
_diffrn_detector_area_resol_mean 7.41
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 VENTURE dual wavelength Mo/Cu'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_measurement_specimen_support 'MiTeGen micromount'
_diffrn_reflns_number            119291
_diffrn_reflns_av_unetI/netI     0.1232
_diffrn_reflns_av_R_equivalents  0.0778
_diffrn_reflns_theta_min         1.998
_diffrn_reflns_theta_max         25.027
_diffrn_reflns_theta_full        25.027
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_limit_l_max       32
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measured_fraction_theta_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_point_group_measured_fraction_full 0.994
_reflns_number_total             57407
_reflns_number_gt                37983
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_computing_data_collection       'Bruker BIS V6.2.1/2016-03-01'
_computing_cell_refinement       'SAINT V8.40B'
_computing_data_reduction        'SAINT V8.40B'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0858P)²+402.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         57407
_refine_ls_number_parameters     3013
_refine_ls_number_restraints     8160
_refine_ls_R_factor_all          0.1293
_refine_ls_R_factor_gt           0.0907
_refine_ls_wR_factor_ref         0.2435
_refine_ls_wR_factor_gt          0.2200
_refine_ls_goodness_of_fit_ref   1.212
_refine_ls_restrained_S_all      1.144
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         7.198
_refine_diff_density_min         -7.207
_refine_diff_density_rms         0.575
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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_
_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 0.71689(4) 0.24053(3) 0.69408(3) 0.0189(2) Uani 1 1 d . . . . .
Au02 Au 0.73090(4) 0.39243(3) 0.66595(4) 0.0256(2) Uani 1 1 d . . . . .
Au03 Au 0.79690(4) 0.33751(3) 0.81296(4) 0.0258(2) Uani 1 1 d . . . . .
Au04 Au 0.57703(4) 0.26314(3) 0.81579(4) 0.0255(2) Uani 1 1 d . . . . .
Au05 Au 0.65583(5) 0.32048(3) 0.85723(4) 0.0267(2) Uani 1 1 d . . . . .
Au06 Au 0.84281(4) 0.24529(3) 0.78240(4) 0.0269(2) Uani 1 1 d . . . . .
Au07 Au 0.77418(5) 0.29666(3) 0.61383(4) 0.0267(2) Uani 1 1 d . . . . .
Au08 Au 0.63223(5) 0.31848(3) 0.64912(4) 0.0276(2) Uani 1 1 d . . . . .
Au09 Au 0.67813(5) 0.14941(3) 0.67906(4) 0.0285(2) Uani 1 1 d . . . . .
Au10 Au 0.67465(5) 0.22685(4) 0.60908(4) 0.0300(2) Uani 1 1 d . . . . .
Au11 Au 0.86390(5) 0.36018(4) 0.63830(4) 0.0295(2) Uani 1 1 d . . . . .
Au12 Au 0.75695(5) 0.16889(3) 0.83767(4) 0.0293(2) Uani 1 1 d . . . . .
Au13 Au 0.56774(5) 0.37180(4) 0.80857(4) 0.0308(2) Uani 1 1 d . . . . .
Au14 Au 0.52794(5) 0.32450(4) 0.73538(4) 0.0313(2) Uani 1 1 d . . . . .
Au15 Au 0.90268(5) 0.32800(4) 0.72438(4) 0.0319(2) Uani 1 1 d . . . . .
Au16 Au 0.78685(5) 0.18614(4) 0.62223(4) 0.0315(2) Uani 1 1 d . . . . .
Au17 Au 0.64710(5) 0.21462(4) 0.88161(4) 0.0308(2) Uani 1 1 d . . . . .
Au18 Au 0.60357(5) 0.40581(4) 0.71125(4) 0.0330(3) Uani 1 1 d . . . . .
Au19 Au 0.75914(5) 0.25674(4) 0.88301(4) 0.0316(2) Uani 1 1 d . . . . .
Au20 Au 0.82929(5) 0.41086(4) 0.72394(4) 0.0354(3) Uani 1 1 d . . . . .
Au21 Au 0.71838(4) 0.25402(3) 0.79540(3) 0.0200(2) Uani 1 1 d . . . . .
Au22 Au 0.78104(4) 0.32097(3) 0.71923(3) 0.0191(2) Uani 1 1 d . . . . .
Au23 Au 0.65044(4) 0.31950(3) 0.74325(4) 0.0203(2) Uani 1 1 d . . . . .
Au24 Au 0.78142(5) 0.16673(3) 0.73185(4) 0.0252(2) Uani 1 1 d . . . . .
Au25 Au 0.65588(4) 0.17346(3) 0.78106(4) 0.0247(2) Uani 1 1 d . . . . .
Au26 Au 0.70086(4) 0.39971(3) 0.77134(4) 0.0255(2) Uani 1 1 d . . . . .
Au27 Au 0.59131(4) 0.23356(3) 0.70988(4) 0.0254(2) Uani 1 1 d . . . . .
Au28 Au 0.85419(4) 0.25039(3) 0.67026(4) 0.0267(2) Uani 1 1 d . . . . .
Cu01 Cu 0.56871(14) 0.11952(10) 0.73435(12) 0.0274(7) Uani 1 1 d . . . . .
Cu02 Cu 0.74765(14) 0.34439(11) 0.92510(12) 0.0288(7) Uani 1 1 d . . . . .
Cu03 Cu 0.86887(15) 0.13180(11) 0.79685(12) 0.0289(7) Uani 1 1 d . . . . .
Cu04 Cu 0.68157(15) 0.30245(10) 0.54054(12) 0.0290(7) Uani 1 1 d . . . . .
Cu05 Cu 0.89155(14) 0.14859(11) 0.64569(12) 0.0282(7) Uani 1 1 d . . . . .
Cu06 Cu 0.79220(15) 0.44875(11) 0.81457(13) 0.0314(7) Uani 1 1 d . . . . .
Cu07 Cu 0.46424(15) 0.24234(11) 0.76799(12) 0.0309(7) Uani 1 1 d . . . . .
Cu08 Cu 0.54004(14) 0.17317(10) 0.87400(12) 0.0281(7) Uani 1 1 d . . . . .
Cu09 Cu 0.61013(14) 0.42179(11) 0.87578(12) 0.0287(7) Uani 1 1 d . . . . .
Cu10 Cu 0.97081(15) 0.24562(11) 0.72378(12) 0.0311(7) Uani 1 1 d . . . . .
Cu11 Cu 0.81383(15) 0.39575(11) 0.56031(13) 0.0315(7) Uani 1 1 d . . . . .
Cu12 Cu 0.63155(15) 0.42952(11) 0.61235(13) 0.0316(7) Uani 1 1 d . . . . .
C1_1 C 0.4933(6) 0.4639(8) 0.6666(6) 0.035(3) Uani 1 1 d D U . . .
C2_1 C 0.4519(7) 0.4502(9) 0.7096(7) 0.039(4) Uani 1 1 d D U . . .
H2_1 H 0.465796 0.447537 0.739365 0.046 Uiso 1 1 calc R U . . .
C3_1 C 0.3898(8) 0.4402(9) 0.7105(7) 0.040(4) Uani 1 1 d D U . . .
H3_1 H 0.363006 0.430411 0.739975 0.048 Uiso 1 1 calc R U . . .
C4_1 C 0.3697(7) 0.4454(9) 0.6664(7) 0.042(4) Uani 1 1 d D U . . .
C5_1 C 0.4082(7) 0.4601(9) 0.6236(7) 0.042(4) Uani 1 1 d D U . . .
H5_1 H 0.394097 0.462025 0.593949 0.051 Uiso 1 1 calc R U . . .
C6_1 C 0.4689(7) 0.4724(9) 0.6238(6) 0.039(4) Uani 1 1 d D U . . .
Cl1_1 Cl 0.5162(4) 0.4889(3) 0.5671(3) 0.061(2) Uani 1 1 d D U . . .
Cl2_1 Cl 0.2930(3) 0.4310(3) 0.6671(4) 0.066(3) Uani 1 1 d D U . . .
S1_1 S 0.5718(3) 0.4758(2) 0.6675(3) 0.0320(15) Uani 1 1 d D U . . .
C1_2 C 0.3744(6) 0.3365(8) 0.7802(7) 0.032(3) Uani 1 1 d D U . . .
C2_2 C 0.3960(8) 0.3646(8) 0.8125(8) 0.034(4) Uani 1 1 d D U . . .
H2_2 H 0.438464 0.366976 0.810062 0.040 Uiso 1 1 calc R U . . .
C3_2 C 0.3556(7) 0.3898(8) 0.8491(8) 0.032(4) Uani 1 1 d D U . . .
H3_2 H 0.370807 0.409530 0.869964 0.039 Uiso 1 1 calc R U . . .
C4_2 C 0.2926(7) 0.3844(9) 0.8533(8) 0.036(4) Uani 1 1 d D U . . .
C5_2 C 0.2694(8) 0.3582(9) 0.8214(8) 0.040(4) Uani 1 1 d D U . . .
H5_2 H 0.226898 0.356589 0.823699 0.048 Uiso 1 1 calc R U . . .
C6_2 C 0.3099(7) 0.3338(9) 0.7855(8) 0.041(4) Uani 1 1 d D U . . .
Cl1_2 Cl 0.2799(4) 0.2983(3) 0.7466(4) 0.074(3) Uani 1 1 d D U . . .
Cl2_2 Cl 0.2420(3) 0.4135(3) 0.8999(3) 0.0481(19) Uani 1 1 d D U . . .
S1_2 S 0.4240(3) 0.3066(2) 0.7319(3) 0.0309(15) Uani 1 1 d D U . . .
C1_3 C 0.4331(7) 0.2656(7) 0.8910(7) 0.029(3) Uani 1 1 d D U . . .
C2_3 C 0.4630(8) 0.2924(7) 0.9191(7) 0.030(4) Uani 1 1 d D U . . .
H2_3 H 0.506011 0.290354 0.913755 0.036 Uiso 1 1 calc R U . . .
C3_3 C 0.4318(8) 0.3228(8) 0.9554(8) 0.035(4) Uani 1 1 d D U . . .
H3_3 H 0.452901 0.340181 0.974439 0.042 Uiso 1 1 calc R U . . .
C4_3 C 0.3685(8) 0.3258(8) 0.9615(8) 0.037(4) Uani 1 1 d D U . . .
C5_3 C 0.3365(8) 0.2994(8) 0.9356(8) 0.036(4) Uani 1 1 d D U . . .
H5_3 H 0.293453 0.300832 0.942119 0.043 Uiso 1 1 calc R U . . .
C6_3 C 0.3687(7) 0.2700(8) 0.8991(8) 0.034(4) Uani 1 1 d D U . . .
Cl1_3 Cl 0.3261(3) 0.2374(3) 0.8662(3) 0.0458(19) Uani 1 1 d D U . . .
Cl2_3 Cl 0.3282(4) 0.3604(3) 1.0091(3) 0.063(2) Uani 1 1 d D U . . .
S1_3 S 0.4735(3) 0.2254(2) 0.8467(2) 0.0297(14) Uani 1 1 d D U . . .
C1_4 C 0.4860(9) 0.4720(5) 0.8550(6) 0.033(3) Uani 1 1 d D U . . .
C2_4 C 0.5134(10) 0.4948(6) 0.8104(7) 0.038(4) Uani 1 1 d D U . . .
H2_4 H 0.544292 0.478600 0.788862 0.046 Uiso 1 1 calc R U . . .
C3_4 C 0.4954(11) 0.5422(6) 0.7970(8) 0.046(4) Uani 1 1 d D U . . .
H3_4 H 0.512720 0.557072 0.766201 0.055 Uiso 1 1 calc R U . . .
C4_4 C 0.4514(12) 0.5663(6) 0.8304(8) 0.052(4) Uani 1 1 d D U . . .
C5_4 C 0.4233(11) 0.5447(6) 0.8745(8) 0.048(5) Uani 1 1 d D U . . .
H5_4 H 0.393707 0.561653 0.896461 0.058 Uiso 1 1 calc R U . . .
C6_4 C 0.4392(9) 0.4971(6) 0.8866(6) 0.039(4) Uani 1 1 d D U . . .
Cl1_4 Cl 0.3996(4) 0.4682(3) 0.9408(3) 0.052(2) Uani 1 1 d D U . . .
Cl2_4 Cl 0.4364(5) 0.6275(3) 0.8163(5) 0.085(3) Uani 1 1 d D U . . .
S1_4 S 0.5095(3) 0.4137(2) 0.8759(3) 0.0321(15) Uani 1 1 d D U . . .
C1_5 C 0.6666(11) 0.5182(5) 0.7994(5) 0.031(3) Uani 1 1 d D U . . .
C2_5 C 0.6778(11) 0.5243(6) 0.7485(6) 0.035(4) Uani 1 1 d D U . . .
H2_5 H 0.696644 0.498936 0.729781 0.042 Uiso 1 1 calc R U . . .
C3_5 C 0.6619(12) 0.5673(6) 0.7235(7) 0.042(4) Uani 1 1 d D U . . .
H3_5 H 0.669245 0.570389 0.688982 0.050 Uiso 1 1 calc R U . . .
C4_5 C 0.6351(13) 0.6045(6) 0.7520(6) 0.045(4) Uani 1 1 d D U . . .
C5_5 C 0.6230(13) 0.5996(6) 0.8023(6) 0.042(4) Uani 1 1 d D U . . .
H5_5 H 0.603988 0.625062 0.820802 0.051 Uiso 1 1 calc R U . . .
C6_5 C 0.6388(12) 0.5569(6) 0.8264(5) 0.039(4) Uani 1 1 d D U . . .
Cl1_5 Cl 0.6222(5) 0.5530(3) 0.8907(3) 0.070(3) Uani 1 1 d D U . . .
Cl2_5 Cl 0.6127(5) 0.6574(3) 0.7217(4) 0.071(3) Uani 1 1 d D U . . .
S1_5 S 0.6888(3) 0.4651(2) 0.8311(2) 0.0280(14) Uani 1 1 d D U . . .
C1_6 C 0.7249(9) 0.2584(6) 1.0086(6) 0.034(3) Uani 1 1 d D U . . .
C2_6 C 0.7003(10) 0.2127(6) 1.0108(7) 0.035(4) Uani 1 1 d D U . . .
H2_6 H 0.714504 0.192459 0.984838 0.042 Uiso 1 1 calc R U . . .
C3_6 C 0.6546(10) 0.1956(7) 1.0507(7) 0.040(4) Uani 1 1 d D U . . .
H3_6 H 0.638836 0.164486 1.051726 0.048 Uiso 1 1 calc R U . . .
C4_6 C 0.6336(10) 0.2263(7) 1.0885(7) 0.044(4) Uani 1 1 d D U . . .
C5_6 C 0.6563(10) 0.2716(7) 1.0875(7) 0.043(4) Uani 1 1 d D U . . .
H5_6 H 0.641980 0.291439 1.113790 0.052 Uiso 1 1 calc R U . . .
C6_6 C 0.7011(10) 0.2884(5) 1.0474(7) 0.040(4) Uani 1 1 d D U . . .
Cl1_6 Cl 0.7237(4) 0.3484(3) 1.0464(3) 0.055(2) Uani 1 1 d D U . . .
Cl2_6 Cl 0.5750(5) 0.2060(3) 1.1374(3) 0.075(3) Uani 1 1 d D U . . .
S1_6 S 0.7856(3) 0.2776(2) 0.9593(2) 0.0296(14) Uani 1 1 d D U . . .
C1_7 C 0.5980(8) 0.1251(6) 0.9703(7) 0.030(3) Uani 1 1 d D U . . .
C2_7 C 0.6550(8) 0.1056(6) 0.9509(7) 0.032(4) Uani 1 1 d D U . . .
H2_7 H 0.679596 0.121783 0.923504 0.038 Uiso 1 1 calc R U . . .
C3_7 C 0.6779(9) 0.0625(7) 0.9706(7) 0.033(4) Uani 1 1 d D U . . .
H3_7 H 0.716822 0.050146 0.956601 0.040 Uiso 1 1 calc R U . . .
C4_7 C 0.6412(9) 0.0391(7) 1.0111(8) 0.038(4) Uani 1 1 d D U . . .
C5_7 C 0.5828(8) 0.0554(7) 1.0297(8) 0.038(4) Uani 1 1 d D U . . .
H5_7 H 0.557757 0.038233 1.056111 0.046 Uiso 1 1 calc R U . . .
C6_7 C 0.5608(7) 0.0975(7) 1.0092(8) 0.035(4) Uani 1 1 d D U . . .
Cl1_7 Cl 0.4864(4) 0.1175(3) 1.0334(3) 0.057(2) Uani 1 1 d D U . . .
Cl2_7 Cl 0.6679(4) -0.0154(3) 1.0361(3) 0.059(2) Uani 1 1 d D U . . .
S1_7 S 0.5686(3) 0.1798(2) 0.9468(2) 0.0307(14) Uani 1 1 d D U . . .
C1_8 C 0.7528(10) 0.5043(5) 0.6041(9) 0.030(3) Uani 1 1 d D U . . .
C2_8 C 0.7973(10) 0.5108(6) 0.6317(9) 0.031(4) Uani 1 1 d D U . . .
H2_8 H 0.818268 0.483587 0.641989 0.037 Uiso 1 1 calc R U . . .
C3_8 C 0.8120(11) 0.5568(5) 0.6445(9) 0.036(4) Uani 1 1 d D U . . .
H3_8 H 0.840134 0.560279 0.664947 0.043 Uiso 1 1 calc R U . . .
C4_8 C 0.7837(11) 0.5967(5) 0.6261(9) 0.038(4) Uani 1 1 d D U . . .
C5_8 C 0.7415(11) 0.5919(6) 0.5975(9) 0.036(4) Uani 1 1 d D U . . .
H5_8 H 0.721895 0.619418 0.586420 0.043 Uiso 1 1 calc R U . . .
C6_8 C 0.7274(10) 0.5464(5) 0.5846(9) 0.032(4) Uani 1 1 d D U . . .
Cl1_8 Cl 0.6734(4) 0.5425(3) 0.5476(3) 0.053(2) Uani 1 1 d D U . . .
Cl2_8 Cl 0.7971(4) 0.6543(2) 0.6448(3) 0.058(2) Uani 1 1 d D U . . .
S1_8 S 0.7336(3) 0.4458(2) 0.5893(3) 0.0297(14) Uani 1 1 d D U . . .
C1_9 C 0.9323(12) 0.4547(5) 0.5679(8) 0.036(3) Uani 1 1 d D U . . .
C2_9 C 0.9591(12) 0.4665(6) 0.6068(8) 0.039(4) Uani 1 1 d D U . . .
H2_9 H 0.962932 0.442681 0.631492 0.047 Uiso 1 1 calc R U . . .
C3_9 C 0.9806(13) 0.5134(6) 0.6099(10) 0.045(4) Uani 1 1 d D U . . .
H3_9 H 1.005320 0.519358 0.632339 0.054 Uiso 1 1 calc R U . . .
C4_9 C 0.9645(14) 0.5504(5) 0.5792(9) 0.045(4) Uani 1 1 d D U . . .
C5_9 C 0.9359(13) 0.5410(6) 0.5416(9) 0.040(4) Uani 1 1 d D U . . .
H5_9 H 0.928098 0.566005 0.519415 0.048 Uiso 1 1 calc R U . . .
C6_9 C 0.9186(12) 0.4937(5) 0.5368(8) 0.037(4) Uani 1 1 d D U . . .
Cl1_9 Cl 0.8828(4) 0.4838(3) 0.4879(3) 0.053(2) Uani 1 1 d D U . . .
Cl2_9 Cl 0.9819(4) 0.6103(3) 0.5878(4) 0.067(3) Uani 1 1 d D U . . .
S1_9 S 0.9157(3) 0.3939(2) 0.5589(3) 0.0304(14) Uani 1 1 d D U . . .
C1_10 C 0.8361(9) 0.2994(5) 0.4892(6) 0.028(3) Uani 1 1 d D U . . .
C2_10 C 0.8503(9) 0.2508(5) 0.4978(7) 0.029(4) Uani 1 1 d D U . . .
H2_10 H 0.829973 0.234403 0.526817 0.034 Uiso 1 1 calc R U . . .
C3_10 C 0.8944(10) 0.2256(6) 0.4638(6) 0.033(4) Uani 1 1 d D U . . .
H3_10 H 0.903609 0.192991 0.470243 0.040 Uiso 1 1 calc R U . . .
C4_10 C 0.9236(10) 0.2501(6) 0.4208(6) 0.035(4) Uani 1 1 d D U . . .
C5_10 C 0.9091(10) 0.2970(6) 0.4094(7) 0.035(4) Uani 1 1 d D U . . .
H5_10 H 0.927575 0.312216 0.379120 0.042 Uiso 1 1 calc R U . . .
C6_10 C 0.8663(9) 0.3218(5) 0.4434(6) 0.031(4) Uani 1 1 d D U . . .
Cl1_10 Cl 0.8468(4) 0.3807(2) 0.4268(3) 0.0475(19) Uani 1 1 d D U . . .
Cl2_10 Cl 0.9759(4) 0.2181(3) 0.3780(3) 0.061(2) Uani 1 1 d D U . . .
S1_10 S 0.7773(3) 0.3309(2) 0.5290(2) 0.0296(14) Uani 1 1 d D U . . .
C1_11 C 0.6778(8) 0.1977(8) 0.4887(6) 0.034(3) Uani 1 1 d D U . . .
C2_11 C 0.7335(9) 0.1763(8) 0.4931(7) 0.035(4) Uani 1 1 d D U . . .
H2_11 H 0.749166 0.180998 0.521318 0.042 Uiso 1 1 calc R U . . .
C3_11 C 0.7673(10) 0.1475(8) 0.4563(7) 0.035(4) Uani 1 1 d D U . . .
H3_11 H 0.803680 0.131710 0.460864 0.043 Uiso 1 1 calc R U . . .
C4_11 C 0.7459(9) 0.1431(9) 0.4135(7) 0.043(4) Uani 1 1 d D U . . .
C5_11 C 0.6918(9) 0.1639(8) 0.4070(7) 0.039(4) Uani 1 1 d D U . . .
H5_11 H 0.677817 0.160332 0.377814 0.047 Uiso 1 1 calc R U . . .
C6_11 C 0.6574(8) 0.1906(9) 0.4446(7) 0.038(4) Uani 1 1 d D U . . .
Cl1_11 Cl 0.5876(4) 0.2163(3) 0.4364(3) 0.063(2) Uani 1 1 d D U . . .
Cl2_11 Cl 0.7889(5) 0.1096(3) 0.3659(3) 0.072(3) Uani 1 1 d D U . . .
S1_11 S 0.6335(3) 0.2333(2) 0.5347(2) 0.0296(14) Uani 1 1 d D U . . .
C1_12 C 0.5933(11) 0.0732(6) 0.6274(7) 0.033(3) Uani 1 1 d D U . . .
C2_12 C 0.5945(11) 0.1136(6) 0.5956(7) 0.033(4) Uani 1 1 d D U . . .
H2_12 H 0.613728 0.141485 0.602064 0.039 Uiso 1 1 calc R U . . .
C3_12 C 0.5678(12) 0.1144(6) 0.5539(7) 0.035(4) Uani 1 1 d D U . . .
H3_12 H 0.567611 0.142853 0.533934 0.041 Uiso 1 1 calc R U . . .
C4_12 C 0.5419(13) 0.0729(6) 0.5426(8) 0.042(4) Uani 1 1 d D U . . .
C5_12 C 0.5414(12) 0.0315(6) 0.5722(7) 0.039(4) Uani 1 1 d D U . . .
H5_12 H 0.522910 0.003638 0.564851 0.047 Uiso 1 1 calc R U . . .
C6_12 C 0.5684(12) 0.0310(5) 0.6135(7) 0.036(4) Uani 1 1 d D U . . .
Cl1_12 Cl 0.5689(4) -0.0226(2) 0.6492(3) 0.054(2) Uani 1 1 d D U . . .
Cl2_12 Cl 0.5064(4) 0.0742(3) 0.4916(3) 0.051(2) Uani 1 1 d D U . . .
S1_12 S 0.6282(3) 0.0723(2) 0.6796(2) 0.0284(14) Uani 1 1 d D U . . .
C1_13 C 1.0005(6) 0.2342(7) 0.6011(6) 0.026(3) Uani 1 1 d D U . . .
C2_13 C 0.9734(8) 0.2587(8) 0.5658(6) 0.033(4) Uani 1 1 d D U . . .
H2_13 H 0.930645 0.263228 0.572256 0.039 Uiso 1 1 calc R U . . .
C3_13 C 1.0088(8) 0.2771(9) 0.5205(7) 0.037(4) Uani 1 1 d D U . . .
H3_13 H 0.989774 0.291441 0.495967 0.045 Uiso 1 1 calc R U . . .
C4_13 C 1.0721(8) 0.2734(9) 0.5131(6) 0.040(4) Uani 1 1 d D U . . .
C5_13 C 1.1009(8) 0.2520(9) 0.5480(6) 0.038(4) Uani 1 1 d D U . . .
H5_13 H 1.143886 0.249144 0.542000 0.045 Uiso 1 1 calc R U . . .
C6_13 C 1.0653(6) 0.2344(8) 0.5927(6) 0.030(4) Uani 1 1 d D U . . .
Cl1_13 Cl 1.1036(3) 0.2075(3) 0.6364(3) 0.0474(19) Uani 1 1 d D U . . .
Cl2_13 Cl 1.1159(5) 0.2953(3) 0.4565(3) 0.069(3) Uani 1 1 d D U . . .
S1_13 S 0.9559(3) 0.2081(2) 0.6564(2) 0.0256(13) Uani 1 1 d D U . . .
C1_14 C 0.9515(11) 0.2078(6) 0.8476(6) 0.031(3) Uani 1 1 d D U . . .
C2_14 C 0.9392(12) 0.2526(7) 0.8666(8) 0.039(4) Uani 1 1 d D U . . .
H2_14 H 0.918120 0.275717 0.850113 0.047 Uiso 1 1 calc R U . . .
C3_14 C 0.9574(13) 0.2650(7) 0.9103(8) 0.045(4) Uani 1 1 d D U . . .
H3_14 H 0.949599 0.295978 0.922104 0.053 Uiso 1 1 calc R U . . .
C4_14 C 0.9869(13) 0.2301(7) 0.9351(8) 0.046(4) Uani 1 1 d D U . . .
C5_14 C 1.0003(12) 0.1851(7) 0.9174(8) 0.039(4) Uani 1 1 d D U . . .
H5_14 H 1.021890 0.162443 0.933896 0.047 Uiso 1 1 calc R U . . .
C6_14 C 0.9816(12) 0.1733(6) 0.8746(7) 0.036(4) Uani 1 1 d D U . . .
Cl1_14 Cl 0.9984(4) 0.1154(2) 0.8535(3) 0.0457(18) Uani 1 1 d D U . . .
Cl2_14 Cl 1.0104(5) 0.2464(4) 0.9882(3) 0.076(3) Uani 1 1 d D U . . .
S1_14 S 0.9348(3) 0.1936(2) 0.7900(2) 0.0249(13) Uani 1 1 d D U . . .
C1_15 C 0.8922(6) 0.3920(9) 0.8788(6) 0.032(3) Uani 1 1 d D U . . .
C2_15 C 0.9384(7) 0.3824(10) 0.8389(7) 0.040(4) Uani 1 1 d D U . . .
H2_15 H 0.927637 0.377479 0.808722 0.048 Uiso 1 1 calc R U . . .
C3_15 C 1.0011(7) 0.3798(10) 0.8416(7) 0.041(4) Uani 1 1 d D U . . .
H3_15 H 1.031676 0.373157 0.814023 0.049 Uiso 1 1 calc R U . . .
C4_15 C 1.0155(6) 0.3873(10) 0.8867(7) 0.040(4) Uani 1 1 d D U . . .
C5_15 C 0.9713(6) 0.3953(10) 0.9277(7) 0.037(4) Uani 1 1 d D U . . .
H5_15 H 0.982525 0.399270 0.957934 0.044 Uiso 1 1 calc R U . . .
C6_15 C 0.9095(6) 0.3975(10) 0.9245(6) 0.037(4) Uani 1 1 d D U . . .
Cl1_15 Cl 0.8548(3) 0.4083(3) 0.9774(3) 0.053(2) Uani 1 1 d D U . . .
Cl2_15 Cl 1.0935(3) 0.3845(3) 0.8912(4) 0.063(2) Uani 1 1 d D U . . .
S1_15 S 0.8131(3) 0.3963(2) 0.8737(2) 0.0250(13) Uani 1 1 d D U . . .
C1_16 C 0.8342(13) 0.1049(5) 0.9155(8) 0.035(3) Uani 1 1 d D U . . .
C2_16 C 0.8354(13) 0.1500(6) 0.9337(8) 0.038(4) Uani 1 1 d D U . . .
H2_16 H 0.820176 0.176565 0.917243 0.046 Uiso 1 1 calc R U . . .
C3_16 C 0.8587(14) 0.1575(7) 0.9761(8) 0.043(4) Uani 1 1 d D U . . .
H3_16 H 0.855027 0.187880 0.989727 0.051 Uiso 1 1 calc R U . . .
C4_16 C 0.8871(15) 0.1193(6) 0.9972(9) 0.049(4) Uani 1 1 d D U . . .
C5_16 C 0.8854(15) 0.0736(6) 0.9813(9) 0.053(5) Uani 1 1 d D U . . .
H5_16 H 0.899969 0.047200 0.998355 0.064 Uiso 1 1 calc R U . . .
C6_16 C 0.8618(15) 0.0668(5) 0.9395(9) 0.050(4) Uani 1 1 d D U . . .
Cl1_16 Cl 0.8639(7) 0.0084(3) 0.9190(4) 0.099(4) Uani 1 1 d D U . . .
Cl2_16 Cl 0.9161(5) 0.1283(3) 1.0503(3) 0.069(3) Uani 1 1 d D U . . .
S1_16 S 0.8045(3) 0.0943(2) 0.8619(2) 0.0308(15) Uani 1 1 d D U . . .
C1_17 C 0.6016(7) 0.0661(6) 0.8433(7) 0.027(3) Uani 1 1 d D U . . .
C2_17 C 0.6618(7) 0.0511(7) 0.8259(8) 0.031(4) Uani 1 1 d D U . . .
H2_17 H 0.686122 0.069091 0.799718 0.038 Uiso 1 1 calc R U . . .
C3_17 C 0.6876(9) 0.0098(7) 0.8463(8) 0.034(4) Uani 1 1 d D U . . .
H3_17 H 0.727768 -0.000558 0.833346 0.041 Uiso 1 1 calc R U . . .
C4_17 C 0.6513(8) -0.0150(7) 0.8863(8) 0.036(4) Uani 1 1 d D U . . .
C5_17 C 0.5924(8) -0.0006(7) 0.9053(8) 0.036(4) Uani 1 1 d D U . . .
H5_17 H 0.569189 -0.017688 0.932820 0.043 Uiso 1 1 calc R U . . .
C6_17 C 0.5667(6) 0.0396(6) 0.8838(7) 0.029(4) Uani 1 1 d D U . . .
Cl1_17 Cl 0.4917(3) 0.0568(2) 0.9094(3) 0.0434(17) Uani 1 1 d D U . . .
Cl2_17 Cl 0.6808(4) -0.0666(3) 0.9133(3) 0.063(2) Uani 1 1 d D U . . .
S1_17 S 0.5692(3) 0.1180(2) 0.8165(2) 0.0255(13) Uani 1 1 d D U . . .
C1_18 C 0.8274(8) 0.0748(5) 0.5844(10) 0.032(3) Uani 1 1 d D U . . .
C2_18 C 0.7674(8) 0.0687(6) 0.5793(10) 0.037(4) Uani 1 1 d D U . . .
H2_18 H 0.744868 0.095858 0.570948 0.044 Uiso 1 1 calc R U . . .
C3_18 C 0.7390(9) 0.0233(5) 0.5862(10) 0.039(4) Uani 1 1 d D U . . .
H3_18 H 0.697812 0.020254 0.583856 0.047 Uiso 1 1 calc R U . . .
C4_18 C 0.7735(8) -0.0169(5) 0.5964(10) 0.037(4) Uani 1 1 d D U . . .
C5_18 C 0.8329(8) -0.0128(6) 0.6017(10) 0.038(4) Uani 1 1 d D U . . .
H5_18 H 0.855039 -0.040230 0.609817 0.046 Uiso 1 1 calc R U . . .
C6_18 C 0.8603(7) 0.0326(5) 0.5951(10) 0.035(4) Uani 1 1 d D U . . .
Cl1_18 Cl 0.9361(3) 0.0346(3) 0.6021(3) 0.0448(18) Uani 1 1 d D U . . .
Cl2_18 Cl 0.7371(4) -0.0733(2) 0.6071(3) 0.055(2) Uani 1 1 d D U . . .
S1_18 S 0.8623(3) 0.1329(2) 0.5747(2) 0.0279(14) Uani 1 1 d D U . . .
C1_19 C 1.0554(8) 0.3403(10) 0.6746(6) 0.043(4) Uani 1 1 d D U . . .
C2_19 C 1.0335(8) 0.3483(9) 0.6313(6) 0.034(4) Uani 1 1 d D U . . .
H2_19 H 0.991718 0.344125 0.631850 0.041 Uiso 1 1 calc R U . . .
C3_19 C 1.0734(8) 0.3627(9) 0.5864(7) 0.036(4) Uani 1 1 d D U . . .
H3_19 H 1.058585 0.365955 0.557141 0.044 Uiso 1 1 calc R U . . .
C4_19 C 1.1342(8) 0.3721(10) 0.5860(6) 0.044(4) Uani 1 1 d D U . . .
C5_19 C 1.1562(9) 0.3684(11) 0.6284(6) 0.050(5) Uani 1 1 d D U . . .
H5_19 H 1.196911 0.376507 0.628109 0.059 Uiso 1 1 calc R U . . .
C6_19 C 1.1173(8) 0.3523(11) 0.6724(6) 0.051(4) Uani 1 1 d D U . . .
Cl1_19 Cl 1.1454(5) 0.3520(5) 0.7270(4) 0.098(4) Uani 1 1 d D U . . .
Cl2_19 Cl 1.1837(4) 0.3903(3) 0.5306(3) 0.061(2) Uani 1 1 d D U . . .
S1_19 S 1.0087(3) 0.3187(2) 0.7317(3) 0.0356(16) Uani 1 1 d D U . . .
C1_20 C 0.5381(6) 0.3557(9) 0.5676(6) 0.035(3) Uani 1 1 d D U . . .
C2_20 C 0.4900(7) 0.3505(9) 0.6078(6) 0.038(4) Uani 1 1 d D U . . .
H2_20 H 0.498766 0.348439 0.639427 0.046 Uiso 1 1 calc R U . . .
C3_20 C 0.4282(8) 0.3481(10) 0.6032(7) 0.043(4) Uani 1 1 d D U . . .
H3_20 H 0.396162 0.346200 0.631123 0.052 Uiso 1 1 calc R U . . .
C4_20 C 0.4165(7) 0.3487(11) 0.5561(7) 0.047(4) Uani 1 1 d D U . . .
C5_20 C 0.4624(7) 0.3540(11) 0.5153(7) 0.046(4) Uani 1 1 d D U . . .
H5_20 H 0.453236 0.356017 0.483834 0.056 Uiso 1 1 calc R U . . .
C6_20 C 0.5232(7) 0.3564(11) 0.5207(5) 0.046(4) Uani 1 1 d D U . . .
Cl1_20 Cl 0.5813(5) 0.3587(5) 0.4679(3) 0.088(3) Uani 1 1 d D U . . .
Cl2_20 Cl 0.3399(4) 0.3488(4) 0.5491(4) 0.075(3) Uani 1 1 d D U . . .
S1_20 S 0.6158(3) 0.3627(2) 0.5737(3) 0.0304(14) Uani 1 1 d D U . . .
C1_21 C 0.4769(11) 0.1822(6) 0.6648(6) 0.030(3) Uani 1 1 d D U . . .
C2_21 C 0.4900(11) 0.2220(6) 0.6319(6) 0.031(4) Uani 1 1 d D U . . .
H2_21 H 0.511895 0.247568 0.640390 0.038 Uiso 1 1 calc R U . . .
C3_21 C 0.4717(11) 0.2255(7) 0.5861(7) 0.034(4) Uani 1 1 d D U . . .
H3_21 H 0.483087 0.251928 0.563622 0.040 Uiso 1 1 calc R U . . .
C4_21 C 0.4365(12) 0.1888(7) 0.5755(7) 0.038(4) Uani 1 1 d D U . . .
C5_21 C 0.4268(12) 0.1470(7) 0.6046(7) 0.036(4) Uani 1 1 d D U . . .
H5_21 H 0.407080 0.120953 0.594787 0.043 Uiso 1 1 calc R U . . .
C6_21 C 0.4468(12) 0.1436(6) 0.6494(7) 0.034(4) Uani 1 1 d D U . . .
Cl1_21 Cl 0.4304(4) 0.0913(2) 0.6877(3) 0.050(2) Uani 1 1 d D U . . .
Cl2_21 Cl 0.4133(4) 0.1921(3) 0.5188(3) 0.057(2) Uani 1 1 d D U . . .
S1_21 S 0.5002(3) 0.1792(2) 0.7228(2) 0.0310(15) Uani 1 1 d D U . . .
C1_22 C 0.5916(8) 0.3474(5) 0.9782(6) 0.028(3) Uani 1 1 d D U . . .
C2_22 C 0.5818(9) 0.2982(5) 0.9880(7) 0.029(4) Uani 1 1 d D U . . .
H2_22 H 0.604984 0.276293 0.966929 0.035 Uiso 1 1 calc R U . . .
C3_22 C 0.5380(9) 0.2804(6) 1.0288(7) 0.033(4) Uani 1 1 d D U . . .
H3_22 H 0.533035 0.247037 1.035855 0.039 Uiso 1 1 calc R U . . .
C4_22 C 0.5022(10) 0.3133(6) 1.0584(7) 0.038(4) Uani 1 1 d D U . . .
C5_22 C 0.5096(9) 0.3622(6) 1.0497(7) 0.032(4) Uani 1 1 d D U . . .
H5_22 H 0.485595 0.383890 1.070646 0.038 Uiso 1 1 calc R U . . .
C6_22 C 0.5535(9) 0.3792(5) 1.0092(7) 0.031(4) Uani 1 1 d D U . . .
Cl1_22 Cl 0.5588(4) 0.4417(2) 0.9985(3) 0.0469(19) Uani 1 1 d D U . . .
Cl2_22 Cl 0.4449(4) 0.2915(3) 1.1081(3) 0.066(2) Uani 1 1 d D U . . .
S1_22 S 0.6491(3) 0.3709(2) 0.9287(2) 0.0292(14) Uani 1 1 d D U . . .
C1_23 C 0.8370(8) 0.0480(5) 0.7222(10) 0.030(3) Uani 1 1 d D U . . .
C2_23 C 0.7775(8) 0.0417(6) 0.7152(10) 0.032(4) Uani 1 1 d D U . . .
H2_23 H 0.753711 0.068970 0.709363 0.039 Uiso 1 1 calc R U . . .
C3_23 C 0.7523(9) -0.0046(5) 0.7168(10) 0.035(4) Uani 1 1 d D U . . .
H3_23 H 0.714178 -0.008396 0.708228 0.042 Uiso 1 1 calc R U . . .
C4_23 C 0.7844(9) -0.0442(5) 0.7312(11) 0.040(4) Uani 1 1 d D U . . .
C5_23 C 0.8429(9) -0.0399(6) 0.7387(11) 0.038(4) Uani 1 1 d D U . . .
H5_23 H 0.866453 -0.067392 0.744187 0.046 Uiso 1 1 calc R U . . .
C6_23 C 0.8671(8) 0.0064(5) 0.7381(11) 0.037(4) Uani 1 1 d D U . . .
Cl1_23 Cl 0.9413(3) 0.0103(3) 0.7488(4) 0.061(2) Uani 1 1 d D U . . .
Cl2_23 Cl 0.7481(4) -0.1006(2) 0.7410(4) 0.059(2) Uani 1 1 d D U . . .
S1_23 S 0.8698(3) 0.1064(2) 0.7201(2) 0.0294(14) Uani 1 1 d D U . . .
C1_25 C 0.6242(5) 0.3777(6) 0.3331(7) 0.043(4) Uani 1 1 d DG U . . .
C2_25 C 0.5808(7) 0.4148(4) 0.3306(7) 0.047(4) Uani 1 1 d DG U . . .
H2_25 H 0.593834 0.446384 0.320581 0.056 Uiso 1 1 calc R U . . .
C3_25 C 0.5179(6) 0.4047(6) 0.3430(7) 0.049(5) Uani 1 1 d DG U . . .
H3_25 H 0.488892 0.429508 0.341322 0.059 Uiso 1 1 calc R U . . .
C4_25 C 0.4984(5) 0.3575(7) 0.3579(7) 0.052(5) Uani 1 1 d DG U . . .
H4_25 H 0.456346 0.350719 0.366221 0.062 Uiso 1 1 calc R U . . .
C5_25 C 0.5418(8) 0.3204(5) 0.3604(7) 0.053(5) Uani 1 1 d DG U . . .
H5_25 H 0.528741 0.288805 0.370379 0.063 Uiso 1 1 calc R U . . .
C6_25 C 0.6047(7) 0.3305(5) 0.3480(7) 0.047(5) Uani 1 1 d DG U . . .
H6_25 H 0.633684 0.305679 0.349638 0.056 Uiso 1 1 calc R U . . .
C7_25 C 0.7203(9) 0.4184(6) 0.2541(4) 0.048(4) Uani 1 1 d DG U . . .
C8_25 C 0.7133(10) 0.3908(5) 0.2149(6) 0.056(5) Uani 1 1 d DG U . . .
H8_25 H 0.706634 0.357505 0.220249 0.067 Uiso 1 1 calc R U . . .
C9_25 C 0.7162(10) 0.4131(7) 0.1679(5) 0.058(5) Uani 1 1 d DG U . . .
H9_25 H 0.711571 0.394613 0.141699 0.070 Uiso 1 1 calc R U . . .
C10_25 C 0.7262(10) 0.4628(7) 0.1599(5) 0.055(5) Uani 1 1 d DG U . . .
H10_25 H 0.728176 0.477723 0.128447 0.066 Uiso 1 1 calc R U . . .
C11_25 C 0.7332(10) 0.4904(5) 0.1991(6) 0.053(5) Uani 1 1 d DG U . . .
H11_25 H 0.739845 0.523724 0.193744 0.064 Uiso 1 1 calc R U . . .
C12_25 C 0.7302(9) 0.4682(5) 0.2461(5) 0.048(5) Uani 1 1 d DG U . . .
H12_25 H 0.734907 0.486617 0.272294 0.058 Uiso 1 1 calc R U . . .
C13_25 C 0.7267(8) 0.4320(6) 0.3577(6) 0.052(4) Uani 1 1 d DG U . . .
C14_25 C 0.7851(8) 0.4526(7) 0.3461(6) 0.059(5) Uani 1 1 d DG U . . .
H14_25 H 0.811391 0.447066 0.315807 0.070 Uiso 1 1 calc R U . . .
C15_25 C 0.8042(8) 0.4816(7) 0.3796(8) 0.062(5) Uani 1 1 d DG U . . .
H15_25 H 0.843287 0.495379 0.371804 0.074 Uiso 1 1 calc R U . . .
C16_25 C 0.7649(10) 0.4899(6) 0.4248(7) 0.062(5) Uani 1 1 d DG U . . .
H16_25 H 0.777693 0.509221 0.447261 0.075 Uiso 1 1 calc R U . . .
C17_25 C 0.7065(10) 0.4692(7) 0.4365(6) 0.063(5) Uani 1 1 d DG U . . .
H17_25 H 0.680203 0.474751 0.466723 0.076 Uiso 1 1 calc R U . . .
C18_25 C 0.6874(8) 0.4403(6) 0.4029(7) 0.059(5) Uani 1 1 d DG U . . .
H18_25 H 0.648305 0.426438 0.410727 0.071 Uiso 1 1 calc R U . . .
C19_25 C 0.7499(8) 0.3366(5) 0.3212(6) 0.052(4) Uani 1 1 d DG U . . .
C20_25 C 0.7449(8) 0.3135(6) 0.3681(6) 0.051(5) Uani 1 1 d DG U . . .
H20_25 H 0.719674 0.326750 0.395524 0.061 Uiso 1 1 calc R U . . .
C21_25 C 0.7777(10) 0.2704(6) 0.3739(6) 0.055(5) Uani 1 1 d DG U . . .
H21_25 H 0.774343 0.254921 0.405241 0.066 Uiso 1 1 calc R U . . .
C22_25 C 0.8154(10) 0.2505(5) 0.3328(8) 0.063(5) Uani 1 1 d DG U . . .
H22_25 H 0.837362 0.221753 0.336735 0.076 Uiso 1 1 calc R U . . .
C23_25 C 0.8204(9) 0.2737(7) 0.2860(7) 0.069(5) Uani 1 1 d DG U . . .
H23_25 H 0.845712 0.260414 0.258511 0.082 Uiso 1 1 calc R U . . .
C24_25 C 0.7877(9) 0.3167(6) 0.2801(5) 0.063(5) Uani 1 1 d DG U . . .
H24_25 H 0.791042 0.332243 0.248793 0.075 Uiso 1 1 calc R U . . .
P1_25 P 0.7056(4) 0.3911(3) 0.3158(3) 0.0447(18) Uani 1 1 d D U . . .
C1_26 C 1.1252(7) 0.0744(6) 0.6435(4) 0.040(4) Uani 1 1 d DG U . . .
C2_26 C 1.0656(6) 0.0834(7) 0.6699(6) 0.045(5) Uani 1 1 d DG U . . .
H2_26 H 1.031787 0.078965 0.655357 0.054 Uiso 1 1 calc R U . . .
C3_26 C 1.0564(7) 0.0991(7) 0.7179(6) 0.050(5) Uani 1 1 d DG U . . .
H3_26 H 1.016426 0.105136 0.735566 0.060 Uiso 1 1 calc R U . . .
C4_26 C 1.1068(9) 0.1058(7) 0.7397(5) 0.052(5) Uani 1 1 d DG U . . .
H4_26 H 1.100668 0.116273 0.771809 0.062 Uiso 1 1 calc R U . . .
C5_26 C 1.1665(8) 0.0968(7) 0.7133(6) 0.055(5) Uani 1 1 d DG U . . .
H5_26 H 1.200271 0.101239 0.727843 0.066 Uiso 1 1 calc R U . . .
C6_26 C 1.1757(6) 0.0811(7) 0.6653(6) 0.049(5) Uani 1 1 d DG U . . .
H6_26 H 1.215633 0.075068 0.647633 0.059 Uiso 1 1 calc R U . . .
C7_26 C 1.2177(5) 0.0401(5) 0.5591(6) 0.034(3) Uani 1 1 d DG U . . .
C8_26 C 1.2377(6) -0.0066(5) 0.5461(6) 0.036(4) Uani 1 1 d DG U . . .
H8_26 H 1.209525 -0.031873 0.551042 0.044 Uiso 1 1 calc R U . . .
C9_26 C 1.2997(7) -0.0154(5) 0.5256(7) 0.043(4) Uani 1 1 d DG U . . .
H9_26 H 1.313069 -0.046664 0.516885 0.052 Uiso 1 1 calc R U . . .
C10_26 C 1.3418(5) 0.0224(6) 0.5181(6) 0.043(4) Uani 1 1 d DG U . . .
H10_26 H 1.383318 0.016458 0.504449 0.051 Uiso 1 1 calc R U . . .
C11_26 C 1.3219(6) 0.0691(5) 0.5312(6) 0.038(4) Uani 1 1 d DG U . . .
H11_26 H 1.350022 0.094371 0.526169 0.045 Uiso 1 1 calc R U . . .
C12_26 C 1.2598(6) 0.0779(4) 0.5516(6) 0.036(4) Uani 1 1 d DG U . . .
H12_26 H 1.246478 0.109163 0.560326 0.043 Uiso 1 1 calc R U . . .
C13_26 C 1.0940(7) -0.0002(4) 0.5822(6) 0.036(4) Uani 1 1 d DG U . . .
C14_26 C 1.0808(8) -0.0149(5) 0.5381(5) 0.039(4) Uani 1 1 d DG U . . .
H14_26 H 1.094420 0.003435 0.508597 0.047 Uiso 1 1 calc R U . . .
C15_26 C 1.0473(8) -0.0570(6) 0.5383(6) 0.042(4) Uani 1 1 d DG U . . .
H15_26 H 1.038534 -0.066904 0.508801 0.051 Uiso 1 1 calc R U . . .
C16_26 C 1.0270(8) -0.0844(5) 0.5824(7) 0.051(5) Uani 1 1 d DG U . . .
H16_26 H 1.004633 -0.112635 0.582524 0.061 Uiso 1 1 calc R U . . .
C17_26 C 1.0402(9) -0.0697(5) 0.6265(6) 0.051(5) Uani 1 1 d DG U . . .
H17_26 H 1.026618 -0.088027 0.656042 0.061 Uiso 1 1 calc R U . . .
C18_26 C 1.0737(8) -0.0276(5) 0.6264(5) 0.042(4) Uani 1 1 d DG U . . .
H18_26 H 1.082504 -0.017688 0.655839 0.050 Uiso 1 1 calc R U . . .
C19_26 C 1.1128(7) 0.0985(5) 0.5395(5) 0.036(4) Uani 1 1 d DG U . . .
C20_26 C 1.0534(7) 0.1185(6) 0.5509(5) 0.039(4) Uani 1 1 d DG U . . .
H20_26 H 1.027768 0.110746 0.581498 0.047 Uiso 1 1 calc R U . . .
C21_26 C 1.0324(6) 0.1502(6) 0.5165(6) 0.039(4) Uani 1 1 d DG U . . .
H21_26 H 0.992720 0.163544 0.524132 0.047 Uiso 1 1 calc R U . . .
C22_26 C 1.0708(8) 0.1618(6) 0.4708(6) 0.043(5) Uani 1 1 d DG U . . .
H22_26 H 1.056757 0.182951 0.447766 0.052 Uiso 1 1 calc R U . . .
C23_26 C 1.1302(8) 0.1418(6) 0.4594(5) 0.049(5) Uani 1 1 d DG U . . .
H23_26 H 1.155843 0.149561 0.428766 0.058 Uiso 1 1 calc R U . . .
C24_26 C 1.1512(6) 0.1101(6) 0.4937(6) 0.044(4) Uani 1 1 d DG U . . .
H24_26 H 1.190891 0.096763 0.486131 0.053 Uiso 1 1 calc R U . . .
P1_26 P 1.1376(3) 0.0536(2) 0.5815(2) 0.0304(14) Uani 1 1 d D U . . .
C1_27 C 0.3474(7) 0.0275(4) 0.8085(7) 0.044(4) Uani 1 1 d DG U . . .
C2_27 C 0.3876(6) 0.0626(6) 0.8170(7) 0.050(5) Uani 1 1 d DG U . . .
H2_27 H 0.429361 0.054981 0.814772 0.060 Uiso 1 1 calc R U . . .
C3_27 C 0.3654(8) 0.1090(5) 0.8289(8) 0.055(5) Uani 1 1 d DG U . . .
H3_27 H 0.392276 0.132502 0.834653 0.066 Uiso 1 1 calc R U . . .
C4_27 C 0.3030(9) 0.1203(4) 0.8323(8) 0.055(5) Uani 1 1 d DG U . . .
H4_27 H 0.288117 0.151422 0.840264 0.066 Uiso 1 1 calc R U . . .
C5_27 C 0.2628(7) 0.0852(6) 0.8237(8) 0.050(5) Uani 1 1 d DG U . . .
H5_27 H 0.221042 0.092819 0.825994 0.060 Uiso 1 1 calc R U . . .
C6_27 C 0.2850(7) 0.0388(5) 0.8118(7) 0.047(5) Uani 1 1 d DG U . . .
H6_27 H 0.258126 0.015297 0.806114 0.056 Uiso 1 1 calc R U . . .
C7_27 C 0.4503(5) -0.0443(6) 0.8004(6) 0.042(4) Uani 1 1 d DG U . . .
C8_27 C 0.4620(6) -0.0830(6) 0.8320(6) 0.046(4) Uani 1 1 d DG U . . .
H8_27 H 0.429314 -0.101430 0.850186 0.055 Uiso 1 1 calc R U . . .
C9_27 C 0.5224(8) -0.0943(6) 0.8365(7) 0.047(5) Uani 1 1 d DG U . . .
H9_27 H 0.530139 -0.120238 0.857676 0.057 Uiso 1 1 calc R U . . .
C10_27 C 0.5711(6) -0.0668(7) 0.8093(7) 0.046(5) Uani 1 1 d DG U . . .
H10_27 H 0.611560 -0.074336 0.812336 0.055 Uiso 1 1 calc R U . . .
C11_27 C 0.5595(6) -0.0280(6) 0.7777(6) 0.045(5) Uani 1 1 d DG U . . .
H11_27 H 0.592154 -0.009627 0.759506 0.054 Uiso 1 1 calc R U . . .
C12_27 C 0.4991(7) -0.0168(5) 0.7732(6) 0.041(4) Uani 1 1 d DG U . . .
H12_27 H 0.491329 0.009182 0.752015 0.050 Uiso 1 1 calc R U . . .
C13_27 C 0.3762(8) -0.0379(6) 0.7247(4) 0.043(4) Uani 1 1 d DG U . . .
C14_27 C 0.4136(8) -0.0740(6) 0.7003(6) 0.050(5) Uani 1 1 d DG U . . .
H14_27 H 0.438316 -0.093610 0.717228 0.060 Uiso 1 1 calc R U . . .
C15_27 C 0.4141(9) -0.0810(7) 0.6507(6) 0.056(5) Uani 1 1 d DG U . . .
H15_27 H 0.439185 -0.105200 0.634356 0.067 Uiso 1 1 calc R U . . .
C16_27 C 0.3772(9) -0.0518(7) 0.6254(5) 0.058(5) Uani 1 1 d DG U . . .
H16_27 H 0.377559 -0.056399 0.592140 0.070 Uiso 1 1 calc R U . . .
C17_27 C 0.3398(9) -0.0156(7) 0.6497(6) 0.057(5) Uani 1 1 d DG U . . .
H17_27 H 0.315063 0.003992 0.632796 0.068 Uiso 1 1 calc R U . . .
C18_27 C 0.3392(8) -0.0086(6) 0.6994(6) 0.052(5) Uani 1 1 d DG U . . .
H18_27 H 0.314193 0.015582 0.715668 0.062 Uiso 1 1 calc R U . . .
C19_27 C 0.3218(8) -0.0753(6) 0.8252(6) 0.054(4) Uani 1 1 d DG U . . .
C20_27 C 0.3025(9) -0.1147(6) 0.8031(6) 0.061(5) Uani 1 1 d DG U . . .
H20_27 H 0.316992 -0.118723 0.769422 0.073 Uiso 1 1 calc R U . . .
C21_27 C 0.2615(10) -0.1480(6) 0.8315(8) 0.068(5) Uani 1 1 d DG U . . .
H21_27 H 0.248589 -0.174321 0.816724 0.082 Uiso 1 1 calc R U . . .
C22_27 C 0.2398(9) -0.1419(7) 0.8819(8) 0.070(6) Uani 1 1 d DG U . . .
H22_27 H 0.212405 -0.164207 0.900825 0.083 Uiso 1 1 calc R U . . .
C23_27 C 0.2591(9) -0.1025(8) 0.9039(6) 0.066(5) Uani 1 1 d DG U . . .
H23_27 H 0.244623 -0.098494 0.937624 0.080 Uiso 1 1 calc R U . . .
C24_27 C 0.3001(9) -0.0692(6) 0.8756(6) 0.059(5) Uani 1 1 d DG U . . .
H24_27 H 0.313026 -0.042895 0.890322 0.071 Uiso 1 1 calc R U . . .
P1_27 P 0.3746(3) -0.0318(2) 0.7891(3) 0.0408(17) Uani 1 1 d D U . . .
C1_24 C 0.9291(7) 0.4844(10) 0.7615(9) 0.053(4) Uani 1 1 d D U . . .
C2_24 C 0.9754(8) 0.4583(10) 0.7321(10) 0.058(5) Uani 1 1 d D U . . .
H2_24 H 0.965144 0.438299 0.709036 0.070 Uiso 1 1 calc R U . . .
C3_24 C 1.0374(8) 0.4611(12) 0.7363(10) 0.068(5) Uani 1 1 d D U . . .
H3_24 H 1.068906 0.446475 0.713829 0.082 Uiso 1 1 calc R U . . .
C4_24 C 1.0503(7) 0.4862(13) 0.7744(11) 0.074(5) Uani 1 1 d D U . . .
C5_24 C 1.0053(8) 0.5075(12) 0.8078(10) 0.072(5) Uani 1 1 d D U . . .
H5_24 H 1.014607 0.521157 0.835419 0.086 Uiso 1 1 calc R U . . .
C6_24 C 0.9450(7) 0.5085(12) 0.8003(9) 0.066(5) Uani 1 1 d D U . . .
Cl1_24 Cl 0.8887(5) 0.5361(5) 0.8434(4) 0.110(4) Uani 1 1 d D U . . .
Cl2_24 Cl 1.1262(5) 0.4885(5) 0.7827(5) 0.118(4) Uani 1 1 d D U . . .
S1_24 S 0.8530(3) 0.4873(3) 0.7499(3) 0.0411(17) Uani 1 1 d D U . . .
C1_28 C 0.1557(8) 0.1730(6) 1.1122(9) 0.074(5) Uani 1 1 d DG U . . .
C2_28 C 0.1745(8) 0.1293(7) 1.1329(9) 0.075(5) Uani 1 1 d DG U . . .
H2_28 H 0.214528 0.125862 1.138587 0.090 Uiso 1 1 calc R U . . .
C3_28 C 0.1335(11) 0.0909(6) 1.1451(9) 0.079(6) Uani 1 1 d DG U . . .
H3_28 H 0.146091 0.061663 1.158996 0.095 Uiso 1 1 calc R U . . .
C4_28 C 0.0737(10) 0.0961(7) 1.1366(10) 0.088(6) Uani 1 1 d DG U . . .
H4_28 H 0.046285 0.070327 1.144792 0.106 Uiso 1 1 calc R U . . .
C5_28 C 0.0549(8) 0.1397(8) 1.1159(10) 0.090(6) Uani 1 1 d DG U . . .
H5_28 H 0.014917 0.143190 1.110181 0.108 Uiso 1 1 calc R U . . .
C6_28 C 0.0959(9) 0.1782(6) 1.1036(9) 0.084(6) Uani 1 1 d DG U . . .
H6_28 H 0.083354 0.207390 1.089772 0.101 Uiso 1 1 calc R U . . .
C7_28 C 0.1684(9) 0.2720(6) 1.0690(8) 0.076(5) Uani 1 1 d DG U . . .
C8_28 C 0.1248(10) 0.2995(8) 1.1002(7) 0.080(6) Uani 1 1 d DG U . . .
H8_28 H 0.117030 0.292600 1.134367 0.096 Uiso 1 1 calc R U . . .
C9_28 C 0.0929(10) 0.3373(7) 1.0803(9) 0.081(6) Uani 1 1 d DG U . . .
H9_28 H 0.063803 0.355691 1.101166 0.097 Uiso 1 1 calc R U . . .
C10_28 C 0.1046(11) 0.3476(7) 1.0292(10) 0.082(6) Uani 1 1 d DG U . . .
H10_28 H 0.083252 0.372885 1.015935 0.098 Uiso 1 1 calc R U . . .
C11_28 C 0.1481(12) 0.3201(8) 0.9981(7) 0.083(6) Uani 1 1 d DG U . . .
H11_28 H 0.155928 0.326987 0.963904 0.100 Uiso 1 1 calc R U . . .
C12_28 C 0.1800(10) 0.2823(7) 1.0180(7) 0.079(6) Uani 1 1 d DG U . . .
H12_28 H 0.209156 0.263896 0.997103 0.095 Uiso 1 1 calc R U . . .
C13_28 C 0.2419(12) 0.2433(9) 1.1416(8) 0.105(5) Uani 1 1 d DG U . . .
C14_28 C 0.2387(14) 0.2926(8) 1.1507(10) 0.118(7) Uani 1 1 d DG U . . .
H14_28 H 0.219688 0.314389 1.131198 0.142 Uiso 1 1 calc R U . . .
C15_28 C 0.2638(16) 0.3092(9) 1.1888(11) 0.128(7) Uani 1 1 d DG U . . .
H15_28 H 0.261619 0.342193 1.194836 0.154 Uiso 1 1 calc R U . . .
C16_28 C 0.2921(15) 0.2766(13) 1.2179(9) 0.132(8) Uani 1 1 d DG U . . .
H16_28 H 0.308946 0.287764 1.243369 0.158 Uiso 1 1 calc R U . . .
C17_28 C 0.2954(15) 0.2273(12) 1.2088(10) 0.131(7) Uani 1 1 d DG U . . .
H17_28 H 0.314343 0.205530 1.228264 0.157 Uiso 1 1 calc R U . . .
C18_28 C 0.2702(14) 0.2107(8) 1.1707(10) 0.121(7) Uani 1 1 d DG U . . .
H18_28 H 0.272413 0.177724 1.164626 0.146 Uiso 1 1 calc R U . . .
C19_28 C 0.2721(8) 0.2007(8) 1.0465(7) 0.078(5) Uani 1 1 d DG U . . .
C20_28 C 0.2607(8) 0.1679(8) 1.0130(8) 0.084(6) Uani 1 1 d DG U . . .
H20_28 H 0.220716 0.156994 1.014908 0.101 Uiso 1 1 calc R U . . .
C21_28 C 0.3091(12) 0.1515(8) 0.9767(7) 0.088(6) Uani 1 1 d DG U . . .
H21_28 H 0.301478 0.129527 0.954345 0.106 Uiso 1 1 calc R U . . .
C22_28 C 0.3689(10) 0.1678(9) 0.9739(7) 0.088(6) Uani 1 1 d DG U . . .
H22_28 H 0.401249 0.156796 0.949603 0.105 Uiso 1 1 calc R U . . .
C23_28 C 0.3803(7) 0.2006(9) 1.0073(9) 0.086(6) Uani 1 1 d DG U . . .
H23_28 H 0.420257 0.211533 1.005424 0.103 Uiso 1 1 calc R U . . .
C24_28 C 0.3319(9) 0.2171(7) 1.0436(8) 0.082(6) Uani 1 1 d DG U . . .
H24_28 H 0.339496 0.239000 1.065987 0.098 Uiso 1 1 calc R U . . .
P1_28 P 0.2093(4) 0.2222(4) 1.0927(4) 0.072(2) Uani 1 1 d D U . . .


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 Au07 2.7216(14) . ?
Au01 Au27 2.7252(13) . ?
Au01 Au24 2.7294(12) . ?
Au01 Au16 2.7405(14) . ?
Au01 Au10 2.7423(12) . ?
Au01 Au09 2.7505(12) . ?
Au01 Au23 2.8408(12) . ?
Au01 Au21 2.8447(12) . ?
Au01 Au22 2.8512(11) . ?
Au01 Au28 2.9809(13) . ?
Au01 Au25 3.0371(14) . ?
Au01 Au08 3.1724(13) . ?
Au02 S1_8 2.491(7) . ?
Au02 Au22 2.7319(13) . ?
Au02 Au18 2.8534(15) . ?
Au02 Au26 2.8591(14) . ?
Au02 Au11 3.0012(14) . ?
Au02 Cu12 3.013(3) . ?
Au02 Au20 3.0191(14) . ?
Au02 Cu11 3.098(4) . ?
Au02 Au07 3.1093(13) . ?
Au02 Au23 3.1337(14) . ?
Au02 Au08 3.1385(13) . ?
Au03 S1_15 2.477(5) . ?
Au03 Au22 2.7421(13) . ?
Au03 Au06 2.8182(13) . ?
Au03 Au19 2.8765(15) . ?
Au03 Au15 3.0268(16) . ?
Au03 Au21 3.0320(12) . ?
Au03 Au26 3.0539(13) . ?
Au03 Au20 3.0588(15) . ?
Au03 Cu06 3.062(3) . ?
Au03 Cu02 3.071(3) . ?
Au03 Au05 3.1363(14) . ?
Au04 S1_3 2.496(7) . ?
Au04 Au23 2.7279(14) . ?
Au04 Au05 2.8269(12) . ?
Au04 Au17 2.8689(14) . ?
Au04 Cu08 2.907(3) . ?
Au04 Au13 2.9886(13) . ?
Au04 Au27 3.0270(14) . ?
Au04 Au21 3.0600(13) . ?
Au04 Au14 3.0640(14) . ?
Au04 Au25 3.0665(13) . ?
Au04 Cu07 3.127(3) . ?
Au05 S1_22 2.454(6) . ?
Au05 Au21 2.7236(13) . ?
Au05 Au13 2.8787(14) . ?
Au05 Au17 2.9512(14) . ?
Au05 Cu09 2.977(3) . ?
Au05 Au19 3.0164(14) . ?
Au05 Cu02 3.134(3) . ?
Au05 Au26 3.1403(15) . ?
Au05 Au23 3.1686(14) . ?
Au06 S1_14 2.487(6) . ?
Au06 Au21 2.7016(13) . ?
Au06 Au15 2.8852(15) . ?
Au06 Cu10 2.950(4) . ?
Au06 Au12 2.9921(15) . ?
Au06 Au19 3.0245(16) . ?
Au06 Au28 3.0423(14) . ?
Au06 Au22 3.1033(13) . ?
Au06 Au24 3.1195(13) . ?
Au06 Cu03 3.177(3) . ?
Au07 S1_10 2.455(7) . ?
Au07 Au28 2.8186(13) . ?
Au07 Au11 2.8805(13) . ?
Au07 Au10 2.9822(13) . ?
Au07 Au16 3.0455(14) . ?
Au07 Au22 3.0528(13) . ?
Au07 Cu11 3.079(3) . ?
Au07 Au08 3.1362(14) . ?
Au07 Cu04 3.152(3) . ?
Au08 S1_20 2.433(7) . ?
Au08 Au23 2.7070(13) . ?
Au08 Au27 2.8445(14) . ?
Au08 Au10 2.8688(13) . ?
Au08 Au14 2.9555(16) . ?
Au08 Au18 3.0106(14) . ?
Au08 Cu04 3.019(3) . ?
Au08 Cu12 3.161(3) . ?
Au09 S1_12 2.412(6) . ?
Au09 Cu01 2.694(3) . ?
Au09 Au16 2.7587(15) . ?
Au09 Au10 2.7977(14) . ?
Au09 Au25 2.8650(14) . ?
Au09 Au24 3.0085(13) . ?
Au09 Au27 3.0146(14) . ?
Au10 S1_11 2.403(6) . ?
Au10 Cu04 2.710(3) . ?
Au10 Au16 2.7750(14) . ?
Au10 Au27 3.0097(15) . ?
Au11 S1_9 2.392(7) . ?
Au11 Cu11 2.734(3) . ?
Au11 Au22 2.7577(14) . ?
Au11 Au20 2.7719(15) . ?
Au11 Au15 2.7736(14) . ?
Au11 Au28 3.0956(14) . ?
Au12 S1_16 2.402(6) . ?
Au12 Cu03 2.696(3) . ?
Au12 Au21 2.7478(13) . ?
Au12 Au17 2.7816(15) . ?
Au12 Au19 2.7913(14) . ?
Au12 Au24 2.8567(14) . ?
Au12 Au25 2.9713(13) . ?
Au13 S1_4 2.370(7) . ?
Au13 Cu09 2.698(3) . ?
Au13 Au23 2.7303(14) . ?
Au13 Au18 2.7477(16) . ?
Au13 Au14 2.7629(13) . ?
Au13 Au26 3.0078(14) . ?
Au14 S1_2 2.380(6) . ?
Au14 Cu07 2.700(3) . ?
Au14 Au23 2.7564(13) . ?
Au14 Au18 2.7902(15) . ?
Au14 Au27 2.8865(14) . ?
Au15 S1_19 2.397(7) . ?
Au15 Cu10 2.687(3) . ?
Au15 Au22 2.7301(13) . ?
Au15 Au20 2.7636(15) . ?
Au15 Au28 3.0136(13) . ?
Au16 S1_18 2.416(7) . ?
Au16 Cu05 2.692(3) . ?
Au16 Au28 2.8825(13) . ?
Au16 Au24 3.0137(15) . ?
Au17 S1_7 2.394(7) . ?
Au17 Cu08 2.702(3) . ?
Au17 Au21 2.7429(15) . ?
Au17 Au19 2.7656(14) . ?
Au17 Au25 3.0219(14) . ?
Au18 S1_1 2.378(6) . ?
Au18 Cu12 2.710(4) . ?
Au18 Au23 2.7368(13) . ?
Au18 Au26 2.9666(14) . ?
Au19 S1_6 2.399(6) . ?
Au19 Cu02 2.721(3) . ?
Au19 Au21 2.7504(13) . ?
Au20 S1_24 2.367(7) . ?
Au20 Cu06 2.722(3) . ?
Au20 Au22 2.7375(13) . ?
Au20 Au26 2.8809(15) . ?
Au21 Au25 2.7303(12) . ?
Au21 Au23 2.8293(12) . ?
Au21 Au22 2.8595(13) . ?
Au21 Au24 3.1762(13) . ?
Au22 Au28 2.7290(13) . ?
Au22 Au23 2.8217(13) . ?
Au22 Au26 3.0013(13) . ?
Au23 Au26 2.7182(12) . ?
Au23 Au27 3.0081(12) . ?
Au24 S1_23 2.511(7) . ?
Au24 Au25 2.8283(14) . ?
Au24 Cu03 2.998(3) . ?
Au24 Au28 3.0576(14) . ?
Au24 Cu05 3.079(3) . ?
Au25 S1_17 2.478(6) . ?
Au25 Cu01 2.993(3) . ?
Au25 Au27 3.0435(13) . ?
Au26 S1_5 2.482(6) . ?
Au26 Cu06 2.937(3) . ?
Au27 S1_21 2.490(7) . ?
Au27 Cu07 2.939(4) . ?
Au27 Cu01 3.199(3) . ?
Au28 S1_13 2.471(6) . ?
Au28 Cu05 2.976(3) . ?
Au28 Cu10 3.217(3) . ?
Cu01 S1_12 2.238(7) . ?
Cu01 S1_21 2.256(7) . ?
Cu01 S1_17 2.264(7) . ?
Cu02 S1_6 2.238(7) . ?
Cu02 S1_22 2.260(7) . ?
Cu02 S1_15 2.268(7) . ?
Cu03 S1_14 2.239(7) . ?
Cu03 S1_16 2.257(8) . ?
Cu03 S1_23 2.261(7) . ?
Cu04 S1_10 2.227(7) . ?
Cu04 S1_11 2.231(7) . ?
Cu04 S1_20 2.279(7) . ?
Cu05 S1_18 2.250(7) . ?
Cu05 S1_23 2.263(7) . ?
Cu05 S1_13 2.266(6) . ?
Cu06 S1_15 2.224(7) . ?
Cu06 S1_24 2.227(8) . ?
Cu06 S1_5 2.272(7) . ?
Cu07 S1_2 2.231(7) . ?
Cu07 S1_21 2.231(7) . ?
Cu07 S1_3 2.241(7) . ?
Cu08 S1_3 2.238(7) . ?
Cu08 S1_7 2.242(7) . ?
Cu08 S1_17 2.245(7) . ?
Cu09 S1_5 2.234(8) . ?
Cu09 S1_4 2.237(7) . ?
Cu09 S1_22 2.247(7) . ?
Cu10 S1_19 2.236(7) . ?
Cu10 S1_13 2.261(7) . ?
Cu10 S1_14 2.270(7) . ?
Cu11 S1_9 2.240(7) . ?
Cu11 S1_8 2.255(7) . ?
Cu11 S1_10 2.262(7) . ?
Cu12 S1_1 2.232(8) . ?
Cu12 S1_20 2.247(7) . ?
Cu12 S1_8 2.259(7) . ?
C1_1 C2_1 1.377(14) . ?
C1_1 C6_1 1.401(14) . ?
C1_1 S1_1 1.776(12) . ?
C2_1 C3_1 1.400(14) . ?
C3_1 C4_1 1.378(14) . ?
C4_1 C5_1 1.350(14) . ?
C4_1 Cl2_1 1.744(12) . ?
C5_1 C6_1 1.393(14) . ?
C6_1 Cl1_1 1.731(13) . ?
C1_2 C2_2 1.376(14) . ?
C1_2 C6_2 1.404(14) . ?
C1_2 S1_2 1.769(12) . ?
C2_2 C3_2 1.403(14) . ?
C3_2 C4_2 1.382(14) . ?
C4_2 C5_2 1.355(14) . ?
C4_2 Cl2_2 1.737(12) . ?
C5_2 C6_2 1.383(14) . ?
C6_2 Cl1_2 1.728(12) . ?
C1_3 C2_3 1.375(14) . ?
C1_3 C6_3 1.396(14) . ?
C1_3 S1_3 1.779(12) . ?
C2_3 C3_3 1.399(14) . ?
C3_3 C4_3 1.373(14) . ?
C4_3 C5_3 1.354(14) . ?
C4_3 Cl2_3 1.742(13) . ?
C5_3 C6_3 1.392(14) . ?
C6_3 Cl1_3 1.731(12) . ?
C1_4 C2_4 1.373(14) . ?
C1_4 C6_4 1.400(14) . ?
C1_4 S1_4 1.775(12) . ?
C2_4 C3_4 1.406(14) . ?
C3_4 C4_4 1.376(14) . ?
C4_4 C5_4 1.354(15) . ?
C4_4 Cl2_4 1.745(13) . ?
C5_4 C6_4 1.387(14) . ?
C6_4 Cl1_4 1.726(13) . ?
C1_5 C2_5 1.374(14) . ?
C1_5 C6_5 1.390(13) . ?
C1_5 S1_5 1.768(12) . ?
C2_5 C3_5 1.406(14) . ?
C3_5 C4_5 1.375(14) . ?
C4_5 C5_5 1.354(14) . ?
C4_5 Cl2_5 1.746(12) . ?
C5_5 C6_5 1.389(14) . ?
C6_5 Cl1_5 1.730(12) . ?
C1_6 C2_6 1.377(14) . ?
C1_6 C6_6 1.397(14) . ?
C1_6 S1_6 1.764(12) . ?
C2_6 C3_6 1.395(14) . ?
C3_6 C4_6 1.377(14) . ?
C4_6 C5_6 1.351(14) . ?
C4_6 Cl2_6 1.739(13) . ?
C5_6 C6_6 1.386(14) . ?
C6_6 Cl1_6 1.733(12) . ?
C1_7 C2_7 1.370(14) . ?
C1_7 C6_7 1.403(14) . ?
C1_7 S1_7 1.765(12) . ?
C2_7 C3_7 1.401(14) . ?
C3_7 C4_7 1.374(14) . ?
C4_7 C5_7 1.360(14) . ?
C4_7 Cl2_7 1.753(12) . ?
C5_7 C6_7 1.379(14) . ?
C6_7 Cl1_7 1.728(13) . ?
C1_8 C2_8 1.380(14) . ?
C1_8 C6_8 1.402(13) . ?
C1_8 S1_8 1.767(12) . ?
C2_8 C3_8 1.399(14) . ?
C3_8 C4_8 1.372(14) . ?
C4_8 C5_8 1.351(14) . ?
C4_8 Cl2_8 1.747(12) . ?
C5_8 C6_8 1.381(14) . ?
C6_8 Cl1_8 1.728(12) . ?
C1_9 C2_9 1.385(14) . ?
C1_9 C6_9 1.400(13) . ?
C1_9 S1_9 1.765(12) . ?
C2_9 C3_9 1.398(14) . ?
C3_9 C4_9 1.373(14) . ?
C4_9 C5_9 1.357(14) . ?
C4_9 Cl2_9 1.742(12) . ?
C5_9 C6_9 1.387(14) . ?
C6_9 Cl1_9 1.734(12) . ?
C1_10 C2_10 1.382(14) . ?
C1_10 C6_10 1.412(14) . ?
C1_10 S1_10 1.763(12) . ?
C2_10 C3_10 1.405(14) . ?
C3_10 C4_10 1.371(14) . ?
C4_10 C5_10 1.356(14) . ?
C4_10 Cl2_10 1.734(12) . ?
C5_10 C6_10 1.383(14) . ?
C6_10 Cl1_10 1.724(12) . ?
C1_11 C2_11 1.376(14) . ?
C1_11 C6_11 1.407(14) . ?
C1_11 S1_11 1.762(12) . ?
C2_11 C3_11 1.401(14) . ?
C3_11 C4_11 1.372(14) . ?
C4_11 C5_11 1.351(14) . ?
C4_11 Cl2_11 1.747(13) . ?
C5_11 C6_11 1.387(14) . ?
C6_11 Cl1_11 1.732(12) . ?
C1_12 C2_12 1.372(14) . ?
C1_12 C6_12 1.403(13) . ?
C1_12 S1_12 1.765(12) . ?
C2_12 C3_12 1.393(14) . ?
C3_12 C4_12 1.370(14) . ?
C4_12 C5_12 1.358(14) . ?
C4_12 Cl2_12 1.744(12) . ?
C5_12 C6_12 1.387(14) . ?
C6_12 Cl1_12 1.724(12) . ?
C1_13 C2_13 1.378(14) . ?
C1_13 C6_13 1.399(13) . ?
C1_13 S1_13 1.760(12) . ?
C2_13 C3_13 1.402(14) . ?
C3_13 C4_13 1.372(14) . ?
C4_13 C5_13 1.359(14) . ?
C4_13 Cl2_13 1.739(13) . ?
C5_13 C6_13 1.385(14) . ?
C6_13 Cl1_13 1.730(12) . ?
C1_14 C2_14 1.368(14) . ?
C1_14 C6_14 1.409(13) . ?
C1_14 S1_14 1.769(12) . ?
C2_14 C3_14 1.408(14) . ?
C3_14 C4_14 1.374(14) . ?
C4_14 C5_14 1.359(14) . ?
C4_14 Cl2_14 1.736(12) . ?
C5_14 C6_14 1.385(14) . ?
C6_14 Cl1_14 1.733(12) . ?
C1_15 C2_15 1.368(14) . ?
C1_15 C6_15 1.406(13) . ?
C1_15 S1_15 1.782(12) . ?
C2_15 C3_15 1.402(14) . ?
C3_15 C4_15 1.371(14) . ?
C4_15 C5_15 1.357(14) . ?
C4_15 Cl2_15 1.750(12) . ?
C5_15 C6_15 1.384(14) . ?
C6_15 Cl1_15 1.725(13) . ?
C1_16 C2_16 1.367(14) . ?
C1_16 C6_16 1.400(13) . ?
C1_16 S1_16 1.779(12) . ?
C2_16 C3_16 1.399(14) . ?
C3_16 C4_16 1.373(14) . ?
C4_16 C5_16 1.358(14) . ?
C4_16 Cl2_16 1.745(12) . ?
C5_16 C6_16 1.382(14) . ?
C6_16 Cl1_16 1.728(12) . ?
C1_17 C2_17 1.377(14) . ?
C1_17 C6_17 1.395(13) . ?
C1_17 S1_17 1.771(12) . ?
C2_17 C3_17 1.399(14) . ?
C3_17 C4_17 1.375(14) . ?
C4_17 C5_17 1.357(14) . ?
C4_17 Cl2_17 1.738(12) . ?
C5_17 C6_17 1.387(14) . ?
C6_17 Cl1_17 1.726(12) . ?
C1_18 C2_18 1.377(14) . ?
C1_18 C6_18 1.403(13) . ?
C1_18 S1_18 1.773(12) . ?
C2_18 C3_18 1.398(14) . ?
C3_18 C4_18 1.374(14) . ?
C4_18 C5_18 1.357(14) . ?
C4_18 Cl2_18 1.748(12) . ?
C5_18 C6_18 1.386(14) . ?
C6_18 Cl1_18 1.728(12) . ?
C1_19 C2_19 1.381(14) . ?
C1_19 C6_19 1.403(14) . ?
C1_19 S1_19 1.771(13) . ?
C2_19 C3_19 1.402(14) . ?
C3_19 C4_19 1.370(14) . ?
C4_19 C5_19 1.353(14) . ?
C4_19 Cl2_19 1.738(13) . ?
C5_19 C6_19 1.387(14) . ?
C6_19 Cl1_19 1.741(13) . ?
C1_20 C2_20 1.369(14) . ?
C1_20 C6_20 1.397(14) . ?
C1_20 S1_20 1.774(12) . ?
C2_20 C3_20 1.399(14) . ?
C3_20 C4_20 1.375(14) . ?
C4_20 C5_20 1.351(14) . ?
C4_20 Cl2_20 1.742(13) . ?
C5_20 C6_20 1.383(14) . ?
C6_20 Cl1_20 1.729(13) . ?
C1_21 C2_21 1.376(14) . ?
C1_21 C6_21 1.399(13) . ?
C1_21 S1_21 1.774(12) . ?
C2_21 C3_21 1.399(14) . ?
C3_21 C4_21 1.371(14) . ?
C4_21 C5_21 1.359(14) . ?
C4_21 Cl2_21 1.738(12) . ?
C5_21 C6_21 1.391(14) . ?
C6_21 Cl1_21 1.732(12) . ?
C1_22 C2_22 1.380(14) . ?
C1_22 C6_22 1.398(13) . ?
C1_22 S1_22 1.763(12) . ?
C2_22 C3_22 1.396(14) . ?
C3_22 C4_22 1.377(14) . ?
C4_22 C5_22 1.361(14) . ?
C4_22 Cl2_22 1.747(13) . ?
C5_22 C6_22 1.384(14) . ?
C6_22 Cl1_22 1.732(12) . ?
C1_23 C2_23 1.381(14) . ?
C1_23 C6_23 1.403(13) . ?
C1_23 S1_23 1.771(12) . ?
C2_23 C3_23 1.398(14) . ?
C3_23 C4_23 1.370(14) . ?
C4_23 C5_23 1.359(14) . ?
C4_23 Cl2_23 1.744(12) . ?
C5_23 C6_23 1.389(14) . ?
C6_23 Cl1_23 1.731(12) . ?
C1_25 C2_25 1.3900 . ?
C1_25 C6_25 1.3900 . ?
C1_25 P1_25 1.804(11) . ?
C2_25 C3_25 1.3900 . ?
C3_25 C4_25 1.3900 . ?
C4_25 C5_25 1.3900 . ?
C5_25 C6_25 1.3900 . ?
C7_25 C8_25 1.3900 . ?
C7_25 C12_25 1.3900 . ?
C7_25 P1_25 1.787(11) . ?
C8_25 C9_25 1.3900 . ?
C9_25 C10_25 1.3900 . ?
C10_25 C11_25 1.3900 . ?
C11_25 C12_25 1.3900 . ?
C13_25 C14_25 1.3900 . ?
C13_25 C18_25 1.3900 . ?
C13_25 P1_25 1.793(11) . ?
C14_25 C15_25 1.3900 . ?
C15_25 C16_25 1.3900 . ?
C16_25 C17_25 1.3900 . ?
C17_25 C18_25 1.3900 . ?
C19_25 C20_25 1.3900 . ?
C19_25 C24_25 1.3900 . ?
C19_25 P1_25 1.785(11) . ?
C20_25 C21_25 1.3900 . ?
C21_25 C22_25 1.3900 . ?
C22_25 C23_25 1.3900 . ?
C23_25 C24_25 1.3900 . ?
C1_26 C2_26 1.3900 . ?
C1_26 C6_26 1.3900 . ?
C1_26 P1_26 1.800(11) . ?
C2_26 C3_26 1.3900 . ?
C3_26 C4_26 1.3900 . ?
C4_26 C5_26 1.3900 . ?
C5_26 C6_26 1.3900 . ?
C7_26 C8_26 1.3900 . ?
C7_26 C12_26 1.3900 . ?
C7_26 P1_26 1.785(11) . ?
C8_26 C9_26 1.3900 . ?
C9_26 C10_26 1.3900 . ?
C10_26 C11_26 1.3900 . ?
C11_26 C12_26 1.3900 . ?
C13_26 C14_26 1.3900 . ?
C13_26 C18_26 1.3900 . ?
C13_26 P1_26 1.783(10) . ?
C14_26 C15_26 1.3900 . ?
C15_26 C16_26 1.3900 . ?
C16_26 C17_26 1.3900 . ?
C17_26 C18_26 1.3900 . ?
C19_26 C20_26 1.3900 . ?
C19_26 C24_26 1.3900 . ?
C19_26 P1_26 1.794(11) . ?
C20_26 C21_26 1.3900 . ?
C21_26 C22_26 1.3900 . ?
C22_26 C23_26 1.3900 . ?
C23_26 C24_26 1.3900 . ?
C1_27 C2_27 1.3900 . ?
C1_27 C6_27 1.3900 . ?
C1_27 P1_27 1.796(11) . ?
C2_27 C3_27 1.3900 . ?
C3_27 C4_27 1.3900 . ?
C4_27 C5_27 1.3900 . ?
C5_27 C6_27 1.3900 . ?
C7_27 C8_27 1.3900 . ?
C7_27 C12_27 1.3900 . ?
C7_27 P1_27 1.783(11) . ?
C8_27 C9_27 1.3900 . ?
C9_27 C10_27 1.3900 . ?
C10_27 C11_27 1.3900 . ?
C11_27 C12_27 1.3900 . ?
C13_27 C14_27 1.3900 . ?
C13_27 C18_27 1.3900 . ?
C13_27 P1_27 1.786(11) . ?
C14_27 C15_27 1.3900 . ?
C15_27 C16_27 1.3900 . ?
C16_27 C17_27 1.3900 . ?
C17_27 C18_27 1.3900 . ?
C19_27 C20_27 1.3900 . ?
C19_27 C24_27 1.3900 . ?
C19_27 P1_27 1.797(12) . ?
C20_27 C21_27 1.3900 . ?
C21_27 C22_27 1.3900 . ?
C22_27 C23_27 1.3900 . ?
C23_27 C24_27 1.3900 . ?
C1_24 C2_24 1.379(14) . ?
C1_24 C6_24 1.399(14) . ?
C1_24 S1_24 1.772(13) . ?
C2_24 C3_24 1.403(14) . ?
C3_24 C4_24 1.371(15) . ?
C4_24 C5_24 1.354(15) . ?
C4_24 Cl2_24 1.739(13) . ?
C5_24 C6_24 1.388(14) . ?
C6_24 Cl1_24 1.726(13) . ?
C1_28 C2_28 1.3900 . ?
C1_28 C6_28 1.3900 . ?
C1_28 P1_28 1.803(12) . ?
C2_28 C3_28 1.3900 . ?
C3_28 C4_28 1.3900 . ?
C4_28 C5_28 1.3900 . ?
C5_28 C6_28 1.3900 . ?
C7_28 C8_28 1.3900 . ?
C7_28 C12_28 1.3900 . ?
C7_28 P1_28 1.786(12) . ?
C8_28 C9_28 1.3900 . ?
C9_28 C10_28 1.3900 . ?
C10_28 C11_28 1.3900 . ?
C11_28 C12_28 1.3900 . ?
C13_28 C14_28 1.3900 . ?
C13_28 C18_28 1.3900 . ?
C13_28 P1_28 1.784(13) . ?
C14_28 C15_28 1.3900 . ?
C15_28 C16_28 1.3900 . ?
C16_28 C17_28 1.3900 . ?
C17_28 C18_28 1.3900 . ?
C19_28 C20_28 1.3900 . ?
C19_28 C24_28 1.3900 . ?
C19_28 P1_28 1.793(13) . ?
C20_28 C21_28 1.3900 . ?
C21_28 C22_28 1.3900 . ?
C22_28 C23_28 1.3900 . ?
C23_28 C24_28 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
Au07 Au01 Au27 117.55(4) . . ?
Au07 Au01 Au24 119.53(4) . . ?
Au27 Au01 Au24 118.10(4) . . ?
Au07 Au01 Au16 67.78(4) . . ?
Au27 Au01 Au16 117.93(4) . . ?
Au24 Au01 Au16 66.87(4) . . ?
Au07 Au01 Au10 66.16(4) . . ?
Au27 Au01 Au10 66.80(4) . . ?
Au24 Au01 Au10 118.74(4) . . ?
Au16 Au01 Au10 60.81(3) . . ?
Au07 Au01 Au09 118.55(4) . . ?
Au27 Au01 Au09 66.81(3) . . ?
Au24 Au01 Au09 66.60(3) . . ?
Au16 Au01 Au09 60.32(4) . . ?
Au10 Au01 Au09 61.24(3) . . ?
Au07 Au01 Au23 94.58(4) . . ?
Au27 Au01 Au23 65.39(3) . . ?
Au24 Au01 Au23 129.02(4) . . ?
Au16 Au01 Au23 161.83(5) . . ?
Au10 Au01 Au23 109.05(4) . . ?
Au09 Au01 Au23 130.50(4) . . ?
Au07 Au01 Au21 126.64(4) . . ?
Au27 Au01 Au21 94.40(4) . . ?
Au24 Au01 Au21 69.44(3) . . ?
Au16 Au01 Au21 134.14(4) . . ?
Au10 Au01 Au21 161.19(5) . . ?
Au09 Au01 Au21 112.91(4) . . ?
Au23 Au01 Au21 59.69(3) . . ?
Au07 Au01 Au22 66.39(3) . . ?
Au27 Au01 Au22 124.77(4) . . ?
Au24 Au01 Au22 98.75(4) . . ?
Au16 Au01 Au22 113.72(4) . . ?
Au10 Au01 Au22 129.60(4) . . ?
Au09 Au01 Au22 165.27(4) . . ?
Au23 Au01 Au22 59.44(3) . . ?
Au21 Au01 Au22 60.27(3) . . ?
Au07 Au01 Au28 59.03(3) . . ?
Au27 Au01 Au28 176.41(5) . . ?
Au24 Au01 Au28 64.57(3) . . ?
Au16 Au01 Au28 60.33(3) . . ?
Au10 Au01 Au28 109.97(4) . . ?
Au09 Au01 Au28 113.36(4) . . ?
Au23 Au01 Au28 115.17(4) . . ?
Au21 Au01 Au28 88.82(3) . . ?
Au22 Au01 Au28 55.75(3) . . ?
Au07 Au01 Au25 177.15(4) . . ?
Au27 Au01 Au25 63.49(3) . . ?
Au24 Au01 Au25 58.45(3) . . ?
Au16 Au01 Au25 109.38(4) . . ?
Au10 Au01 Au25 112.69(4) . . ?
Au09 Au01 Au25 59.10(3) . . ?
Au23 Au01 Au25 88.25(4) . . ?
Au21 Au01 Au25 55.20(3) . . ?
Au22 Au01 Au25 115.46(4) . . ?
Au28 Au01 Au25 119.86(4) . . ?
Au07 Au01 Au08 63.76(3) . . ?
Au27 Au01 Au08 57.07(3) . . ?
Au24 Au01 Au08 174.34(4) . . ?
Au16 Au01 Au08 112.02(4) . . ?
Au10 Au01 Au08 57.48(3) . . ?
Au09 Au01 Au08 107.90(4) . . ?
Au23 Au01 Au08 53.16(3) . . ?
Au21 Au01 Au08 112.81(4) . . ?
Au22 Au01 Au08 86.79(3) . . ?
Au28 Au01 Au08 120.11(4) . . ?
Au25 Au01 Au08 118.08(4) . . ?
S1_8 Au02 Au22 151.37(16) . . ?
S1_8 Au02 Au18 98.58(16) . . ?
Au22 Au02 Au18 108.97(4) . . ?
S1_8 Au02 Au26 138.70(15) . . ?
Au22 Au02 Au26 64.89(3) . . ?
Au18 Au02 Au26 62.57(4) . . ?
S1_8 Au02 Au11 95.05(16) . . ?
Au22 Au02 Au11 57.27(3) . . ?
Au18 Au02 Au11 166.24(5) . . ?
Au26 Au02 Au11 107.63(4) . . ?
S1_8 Au02 Cu12 47.30(16) . . ?
Au22 Au02 Cu12 151.09(7) . . ?
Au18 Au02 Cu12 54.94(7) . . ?
Au26 Au02 Cu12 114.80(8) . . ?
Au11 Au02 Cu12 136.99(8) . . ?
S1_8 Au02 Au20 115.81(14) . . ?
Au22 Au02 Au20 56.58(3) . . ?
Au18 Au02 Au20 119.45(5) . . ?
Au26 Au02 Au20 58.62(3) . . ?
Au11 Au02 Au20 54.83(3) . . ?
Cu12 Au02 Au20 150.45(7) . . ?
S1_8 Au02 Cu11 46.03(16) . . ?
Au22 Au02 Cu11 105.61(7) . . ?
Au18 Au02 Cu11 138.51(7) . . ?
Au26 Au02 Cu11 157.04(7) . . ?
Au11 Au02 Cu11 53.23(6) . . ?
Cu12 Au02 Cu11 83.87(9) . . ?
Au20 Au02 Cu11 98.49(7) . . ?
S1_8 Au02 Au07 97.23(15) . . ?
Au22 Au02 Au07 62.62(3) . . ?
Au18 Au02 Au07 119.69(4) . . ?
Au26 Au02 Au07 124.07(4) . . ?
Au11 Au02 Au07 56.22(3) . . ?
Cu12 Au02 Au07 102.25(7) . . ?
Au20 Au02 Au07 104.25(4) . . ?
Cu11 Au02 Au07 59.47(6) . . ?
S1_8 Au02 Au23 144.79(15) . . ?
Au22 Au02 Au23 57.02(3) . . ?
Au18 Au02 Au23 54.16(3) . . ?
Au26 Au02 Au23 53.71(3) . . ?
Au11 Au02 Au23 112.59(4) . . ?
Cu12 Au02 Au23 98.22(7) . . ?
Au20 Au02 Au23 98.27(4) . . ?
Cu11 Au02 Au23 140.51(6) . . ?
Au07 Au02 Au23 81.81(3) . . ?
S1_8 Au02 Au08 97.78(14) . . ?
Au22 Au02 Au08 89.55(4) . . ?
Au18 Au02 Au08 60.10(3) . . ?
Au26 Au02 Au08 102.14(4) . . ?
Au11 Au02 Au08 116.21(4) . . ?
Cu12 Au02 Au08 61.80(6) . . ?
Au20 Au02 Au08 145.17(4) . . ?
Cu11 Au02 Au08 98.50(6) . . ?
Au07 Au02 Au08 60.26(3) . . ?
Au23 Au02 Au08 51.14(3) . . ?
S1_15 Au03 Au22 148.70(15) . . ?
S1_15 Au03 Au06 137.81(14) . . ?
Au22 Au03 Au06 67.84(3) . . ?
S1_15 Au03 Au19 97.22(16) . . ?
Au22 Au03 Au19 112.80(4) . . ?
Au06 Au03 Au19 64.15(4) . . ?
S1_15 Au03 Au15 115.35(15) . . ?
Au22 Au03 Au15 56.23(3) . . ?
Au06 Au03 Au15 59.03(3) . . ?
Au19 Au03 Au15 121.54(4) . . ?
S1_15 Au03 Au21 144.87(16) . . ?
Au22 Au03 Au21 59.11(3) . . ?
Au06 Au03 Au21 54.86(3) . . ?
Au19 Au03 Au21 55.41(3) . . ?
Au15 Au03 Au21 98.82(4) . . ?
S1_15 Au03 Au26 95.62(14) . . ?
Au22 Au03 Au26 62.10(3) . . ?
Au06 Au03 Au26 126.57(4) . . ?
Au19 Au03 Au26 120.56(4) . . ?
Au15 Au03 Au26 103.75(4) . . ?
Au21 Au03 Au26 83.31(3) . . ?
S1_15 Au03 Au20 93.84(15) . . ?
Au22 Au03 Au20 56.00(3) . . ?
Au06 Au03 Au20 108.21(4) . . ?
Au19 Au03 Au20 168.80(4) . . ?
Au15 Au03 Au20 54.01(3) . . ?
Au21 Au03 Au20 113.73(4) . . ?
Au26 Au03 Au20 56.24(3) . . ?
S1_15 Au03 Cu06 45.86(16) . . ?
Au22 Au03 Cu06 103.18(7) . . ?
Au06 Au03 Cu06 157.17(8) . . ?
Au19 Au03 Cu06 136.52(8) . . ?
Au15 Au03 Cu06 98.31(7) . . ?
Au21 Au03 Cu06 139.86(7) . . ?
Au26 Au03 Cu06 57.40(6) . . ?
Au20 Au03 Cu06 52.81(7) . . ?
S1_15 Au03 Cu02 46.77(16) . . ?
Au22 Au03 Cu02 151.89(7) . . ?
Au06 Au03 Cu02 115.64(7) . . ?
Au19 Au03 Cu02 54.32(6) . . ?
Au15 Au03 Cu02 151.15(7) . . ?
Au21 Au03 Cu02 98.75(6) . . ?
Au26 Au03 Cu02 100.87(7) . . ?
Au20 Au03 Cu02 135.26(7) . . ?
Cu06 Au03 Cu02 82.49(9) . . ?
S1_15 Au03 Au05 96.49(15) . . ?
Au22 Au03 Au05 91.27(4) . . ?
Au06 Au03 Au05 104.19(4) . . ?
Au19 Au03 Au05 60.04(3) . . ?
Au15 Au03 Au05 146.54(4) . . ?
Au21 Au03 Au05 52.37(3) . . ?
Au26 Au03 Au05 60.95(3) . . ?
Au20 Au03 Au05 117.00(4) . . ?
Cu06 Au03 Au05 96.77(7) . . ?
Cu02 Au03 Au05 60.63(6) . . ?
S1_3 Au04 Au23 147.02(15) . . ?
S1_3 Au04 Au05 135.11(14) . . ?
Au23 Au04 Au05 69.53(4) . . ?
S1_3 Au04 Au17 100.72(15) . . ?
Au23 Au04 Au17 111.65(4) . . ?
Au05 Au04 Au17 62.41(3) . . ?
S1_3 Au04 Cu08 48.19(16) . . ?
Au23 Au04 Cu08 154.89(8) . . ?
Au05 Au04 Cu08 113.43(7) . . ?
Au17 Au04 Cu08 55.77(6) . . ?
S1_3 Au04 Au13 111.63(14) . . ?
Au23 Au04 Au13 56.84(3) . . ?
Au05 Au04 Au13 59.26(3) . . ?
Au17 Au04 Au13 120.46(4) . . ?
Cu08 Au04 Au13 147.39(8) . . ?
S1_3 Au04 Au27 95.67(14) . . ?
Au23 Au04 Au27 62.77(3) . . ?
Au05 Au04 Au27 129.08(5) . . ?
Au17 Au04 Au27 120.69(4) . . ?
Cu08 Au04 Au27 102.97(7) . . ?
Au13 Au04 Au27 104.63(4) . . ?
S1_3 Au04 Au21 149.41(15) . . ?
Au23 Au04 Au21 58.19(3) . . ?
Au05 Au04 Au21 54.94(3) . . ?
Au17 Au04 Au21 55.00(3) . . ?
Cu08 Au04 Au21 101.86(7) . . ?
Au13 Au04 Au21 97.80(4) . . ?
Au27 Au04 Au21 84.37(4) . . ?
S1_3 Au04 Au14 91.15(15) . . ?
Au23 Au04 Au14 56.48(3) . . ?
Au05 Au04 Au14 109.33(4) . . ?
Au17 Au04 Au14 168.11(5) . . ?
Cu08 Au04 Au14 135.11(7) . . ?
Au13 Au04 Au14 54.30(3) . . ?
Au27 Au04 Au14 56.57(3) . . ?
Au21 Au04 Au14 113.56(4) . . ?
S1_3 Au04 Au25 100.84(14) . . ?
Au23 Au04 Au25 89.74(4) . . ?
Au05 Au04 Au25 104.60(4) . . ?
Au17 Au04 Au25 61.10(3) . . ?
Cu08 Au04 Au25 65.21(7) . . ?
Au13 Au04 Au25 145.66(5) . . ?
Au27 Au04 Au25 59.93(3) . . ?
Au21 Au04 Au25 52.93(3) . . ?
Au14 Au04 Au25 116.16(4) . . ?
S1_3 Au04 Cu07 45.26(16) . . ?
Au23 Au04 Cu07 102.70(7) . . ?
Au05 Au04 Cu07 156.16(7) . . ?
Au17 Au04 Cu07 138.57(7) . . ?
Cu08 Au04 Cu07 83.43(8) . . ?
Au13 Au04 Cu07 97.33(6) . . ?
Au27 Au04 Cu07 57.03(7) . . ?
Au21 Au04 Cu07 140.99(7) . . ?
Au14 Au04 Cu07 51.69(6) . . ?
Au25 Au04 Cu07 97.71(6) . . ?
S1_22 Au05 Au21 149.85(15) . . ?
S1_22 Au05 Au04 138.42(16) . . ?
Au21 Au05 Au04 66.88(3) . . ?
S1_22 Au05 Au13 99.51(15) . . ?
Au21 Au05 Au13 108.88(4) . . ?
Au04 Au05 Au13 63.17(3) . . ?
S1_22 Au05 Au17 115.07(15) . . ?
Au21 Au05 Au17 57.64(3) . . ?
Au04 Au05 Au17 59.49(3) . . ?
Au13 Au05 Au17 121.43(4) . . ?
S1_22 Au05 Cu09 47.69(16) . . ?
Au21 Au05 Cu09 150.41(8) . . ?
Au04 Au05 Cu09 114.50(7) . . ?
Au13 Au05 Cu09 54.85(6) . . ?
Au17 Au05 Cu09 150.63(8) . . ?
S1_22 Au05 Au19 94.04(15) . . ?
Au21 Au05 Au19 56.99(3) . . ?
Au04 Au05 Au19 108.94(4) . . ?
Au13 Au05 Au19 165.67(5) . . ?
Au17 Au05 Au19 55.21(3) . . ?
Cu09 Au05 Au19 136.02(6) . . ?
S1_22 Au05 Cu02 45.74(16) . . ?
Au21 Au05 Cu02 104.31(7) . . ?
Au04 Au05 Cu02 157.42(7) . . ?
Au13 Au05 Cu02 137.87(7) . . ?
Au17 Au05 Cu02 98.03(6) . . ?
Cu09 Au05 Cu02 83.70(8) . . ?
Au19 Au05 Cu02 52.47(6) . . ?
S1_22 Au05 Au03 96.28(15) . . ?
Au21 Au05 Au03 61.85(3) . . ?
Au04 Au05 Au03 125.29(4) . . ?
Au13 Au05 Au03 117.59(4) . . ?
Au17 Au05 Au03 104.41(4) . . ?
Cu09 Au05 Au03 101.45(7) . . ?
Au19 Au05 Au03 55.71(3) . . ?
Cu02 Au05 Au03 58.65(7) . . ?
S1_22 Au05 Au26 99.11(15) . . ?
Au21 Au05 Au26 86.93(4) . . ?
Au04 Au05 Au26 102.42(4) . . ?
Au13 Au05 Au26 59.77(3) . . ?
Au17 Au05 Au26 143.84(4) . . ?
Cu09 Au05 Au26 63.63(7) . . ?
Au19 Au05 Au26 113.56(4) . . ?
Cu02 Au05 Au26 97.63(7) . . ?
Au03 Au05 Au26 58.23(3) . . ?
S1_22 Au05 Au23 145.72(15) . . ?
Au21 Au05 Au23 56.79(3) . . ?
Au04 Au05 Au23 53.76(3) . . ?
Au13 Au05 Au23 53.42(3) . . ?
Au17 Au05 Au23 98.29(4) . . ?
Cu09 Au05 Au23 98.81(7) . . ?
Au19 Au05 Au23 112.29(4) . . ?
Cu02 Au05 Au23 140.15(7) . . ?
Au03 Au05 Au23 82.11(3) . . ?
Au26 Au05 Au23 51.04(3) . . ?
S1_14 Au06 Au21 148.49(15) . . ?
S1_14 Au06 Au03 136.16(13) . . ?
Au21 Au06 Au03 66.60(3) . . ?
S1_14 Au06 Au15 100.19(15) . . ?
Au21 Au06 Au15 110.84(4) . . ?
Au03 Au06 Au15 64.09(4) . . ?
S1_14 Au06 Cu10 48.45(16) . . ?
Au21 Au06 Cu10 154.87(7) . . ?
Au03 Au06 Cu10 114.37(7) . . ?
Au15 Au06 Cu10 54.82(7) . . ?
S1_14 Au06 Au12 91.36(15) . . ?
Au21 Au06 Au12 57.44(3) . . ?
Au03 Au06 Au12 108.83(4) . . ?
Au15 Au06 Au12 168.20(5) . . ?
Cu10 Au06 Au12 135.15(7) . . ?
S1_14 Au06 Au19 110.90(15) . . ?
Au21 Au06 Au19 57.08(3) . . ?
Au03 Au06 Au19 58.86(3) . . ?
Au15 Au06 Au19 121.32(4) . . ?
Cu10 Au06 Au19 146.73(7) . . ?
Au12 Au06 Au19 55.28(3) . . ?
S1_14 Au06 Au28 100.35(14) . . ?
Au21 Au06 Au28 90.25(4) . . ?
Au03 Au06 Au28 105.24(4) . . ?
Au15 Au06 Au28 61.05(3) . . ?
Cu10 Au06 Au28 64.92(6) . . ?
Au12 Au06 Au28 114.71(4) . . ?
Au19 Au06 Au28 146.77(4) . . ?
S1_14 Au06 Au22 148.14(16) . . ?
Au21 Au06 Au22 58.53(3) . . ?
Au03 Au06 Au22 54.92(3) . . ?
Au15 Au06 Au22 54.10(3) . . ?
Cu10 Au06 Au22 100.30(7) . . ?
Au12 Au06 Au22 114.23(4) . . ?
Au19 Au06 Au22 99.60(4) . . ?
Au28 Au06 Au22 52.71(3) . . ?
S1_14 Au06 Au24 94.30(13) . . ?
Au21 Au06 Au24 65.68(3) . . ?
Au03 Au06 Au24 129.35(4) . . ?
Au15 Au06 Au24 120.35(4) . . ?
Cu10 Au06 Au24 101.97(7) . . ?
Au12 Au06 Au24 55.69(3) . . ?
Au19 Au06 Au24 105.84(4) . . ?
Au28 Au06 Au24 59.48(3) . . ?
Au22 Au06 Au24 85.81(3) . . ?
S1_14 Au06 Cu03 44.53(15) . . ?
Au21 Au06 Cu03 104.93(7) . . ?
Au03 Au06 Cu03 155.25(7) . . ?
Au15 Au06 Cu03 137.73(7) . . ?
Cu10 Au06 Cu03 83.44(9) . . ?
Au12 Au06 Cu03 51.72(6) . . ?
Au19 Au06 Cu03 96.70(7) . . ?
Au28 Au06 Cu03 97.80(6) . . ?
Au22 Au06 Cu03 142.17(6) . . ?
Au24 Au06 Cu03 56.86(6) . . ?
S1_10 Au07 Au01 149.55(15) . . ?
S1_10 Au07 Au28 139.20(16) . . ?
Au01 Au07 Au28 65.07(4) . . ?
S1_10 Au07 Au11 97.26(15) . . ?
Au01 Au07 Au11 112.09(4) . . ?
Au28 Au07 Au11 65.79(3) . . ?
S1_10 Au07 Au10 93.08(15) . . ?
Au01 Au07 Au10 57.25(3) . . ?
Au28 Au07 Au10 107.84(4) . . ?
Au11 Au07 Au10 169.21(5) . . ?
S1_10 Au07 Au16 114.35(14) . . ?
Au01 Au07 Au16 56.41(3) . . ?
Au28 Au07 Au16 58.73(3) . . ?
Au11 Au07 Au16 122.45(4) . . ?
Au10 Au07 Au16 54.81(3) . . ?
S1_10 Au07 Au22 144.49(14) . . ?
Au01 Au07 Au22 58.84(3) . . ?
Au28 Au07 Au22 55.22(3) . . ?
Au11 Au07 Au22 55.30(3) . . ?
Au10 Au07 Au22 114.00(4) . . ?
Au16 Au07 Au22 100.32(4) . . ?
S1_10 Au07 Cu11 46.58(15) . . ?
Au01 Au07 Cu11 152.28(7) . . ?
Au28 Au07 Cu11 117.58(7) . . ?
Au11 Au07 Cu11 54.49(6) . . ?
Au10 Au07 Cu11 133.88(7) . . ?
Au16 Au07 Cu11 150.63(8) . . ?
Au22 Au07 Cu11 98.63(7) . . ?
S1_10 Au07 Au02 95.70(14) . . ?
Au01 Au07 Au02 92.24(4) . . ?
Au28 Au07 Au02 105.27(4) . . ?
Au11 Au07 Au02 59.99(3) . . ?
Au10 Au07 Au02 115.96(4) . . ?
Au16 Au07 Au02 148.08(5) . . ?
Au22 Au07 Au02 52.63(3) . . ?
Cu11 Au07 Au02 60.09(7) . . ?
S1_10 Au07 Au08 93.69(15) . . ?
Au01 Au07 Au08 65.13(3) . . ?
Au28 Au07 Au08 127.08(5) . . ?
Au11 Au07 Au08 120.04(4) . . ?
Au10 Au07 Au08 55.86(3) . . ?
Au16 Au07 Au08 105.12(4) . . ?
Au22 Au07 Au08 84.08(4) . . ?
Cu11 Au07 Au08 98.97(7) . . ?
Au02 Au07 Au08 60.33(3) . . ?
S1_10 Au07 Cu04 44.68(16) . . ?
Au01 Au07 Cu04 105.21(7) . . ?
Au28 Au07 Cu04 155.87(6) . . ?
Au11 Au07 Cu04 135.99(7) . . ?
Au10 Au07 Cu04 52.34(6) . . ?
Au16 Au07 Cu04 97.26(6) . . ?
Au22 Au07 Cu04 140.69(7) . . ?
Cu11 Au07 Cu04 81.69(8) . . ?
Au02 Au07 Cu04 96.90(6) . . ?
Au08 Au07 Cu04 57.37(7) . . ?
S1_20 Au08 Au23 149.46(15) . . ?
S1_20 Au08 Au27 140.35(15) . . ?
Au23 Au08 Au27 65.57(3) . . ?
S1_20 Au08 Au10 99.48(15) . . ?
Au23 Au08 Au10 109.24(4) . . ?
Au27 Au08 Au10 63.57(4) . . ?
S1_20 Au08 Au14 114.78(16) . . ?
Au23 Au08 Au14 58.06(3) . . ?
Au27 Au08 Au14 59.66(3) . . ?
Au10 Au08 Au14 121.44(5) . . ?
S1_20 Au08 Au18 93.73(15) . . ?
Au23 Au08 Au18 56.90(3) . . ?
Au27 Au08 Au18 108.60(4) . . ?
Au10 Au08 Au18 165.87(5) . . ?
Au14 Au08 Au18 55.76(3) . . ?
S1_20 Au08 Cu04 47.96(16) . . ?
Au23 Au08 Cu04 149.94(7) . . ?
Au27 Au08 Cu04 115.58(7) . . ?
Au10 Au08 Cu04 54.74(6) . . ?
Au14 Au08 Cu04 150.80(7) . . ?
Au18 Au08 Cu04 135.56(7) . . ?
S1_20 Au08 Au07 97.62(16) . . ?
Au23 Au08 Au07 88.48(4) . . ?
Au27 Au08 Au07 102.19(4) . . ?
Au10 Au08 Au07 59.35(3) . . ?
Au14 Au08 Au07 145.77(4) . . ?
Au18 Au08 Au07 114.07(4) . . ?
Cu04 Au08 Au07 61.58(6) . . ?
S1_20 Au08 Au02 93.13(14) . . ?
Au23 Au08 Au02 64.34(3) . . ?
Au27 Au08 Au02 126.52(4) . . ?
Au10 Au08 Au02 118.53(4) . . ?
Au14 Au08 Au02 105.91(4) . . ?
Au18 Au08 Au02 55.25(3) . . ?
Cu04 Au08 Au02 99.10(7) . . ?
Au07 Au08 Au02 59.41(3) . . ?
S1_20 Au08 Cu12 45.08(15) . . ?
Au23 Au08 Cu12 104.48(7) . . ?
Au27 Au08 Cu12 156.70(8) . . ?
Au10 Au08 Cu12 138.23(8) . . ?
Au14 Au08 Cu12 97.06(7) . . ?
Au18 Au08 Cu12 52.02(7) . . ?
Cu04 Au08 Cu12 83.89(9) . . ?
Au07 Au08 Cu12 98.39(7) . . ?
Au02 Au08 Cu12 57.15(6) . . ?
S1_20 Au08 Au01 145.02(16) . . ?
Au23 Au08 Au01 57.13(3) . . ?
Au27 Au08 Au01 53.53(3) . . ?
Au10 Au08 Au01 53.71(3) . . ?
Au14 Au08 Au01 99.46(4) . . ?
Au18 Au08 Au01 112.19(4) . . ?
Cu04 Au08 Au01 98.01(6) . . ?
Au07 Au08 Au01 51.11(3) . . ?
Au02 Au08 Au01 83.72(3) . . ?
Cu12 Au08 Au01 140.42(7) . . ?
S1_12 Au09 Cu01 51.63(17) . . ?
S1_12 Au09 Au01 168.84(17) . . ?
Cu01 Au09 Au01 117.30(7) . . ?
S1_12 Au09 Au16 131.47(17) . . ?
Cu01 Au09 Au16 176.20(8) . . ?
Au01 Au09 Au16 59.66(3) . . ?
S1_12 Au09 Au10 124.62(15) . . ?
Cu01 Au09 Au10 116.85(8) . . ?
Au01 Au09 Au10 59.24(3) . . ?
Au16 Au09 Au10 59.92(4) . . ?
S1_12 Au09 Au25 105.15(16) . . ?
Cu01 Au09 Au25 65.06(7) . . ?
Au01 Au09 Au25 65.45(3) . . ?
Au16 Au09 Au25 114.04(4) . . ?
Au10 Au09 Au25 116.42(4) . . ?
S1_12 Au09 Au24 124.82(15) . . ?
Cu01 Au09 Au24 117.93(7) . . ?
Au01 Au09 Au24 56.37(3) . . ?
Au16 Au09 Au24 62.83(4) . . ?
Au10 Au09 Au24 108.32(4) . . ?
Au25 Au09 Au24 57.51(3) . . ?
S1_12 Au09 Au27 114.79(16) . . ?
Cu01 Au09 Au27 67.90(7) . . ?
Au01 Au09 Au27 56.20(3) . . ?
Au16 Au09 Au27 108.35(4) . . ?
Au10 Au09 Au27 62.24(4) . . ?
Au25 Au09 Au27 62.29(3) . . ?
Au24 Au09 Au27 101.92(4) . . ?
S1_11 Au10 Cu04 51.32(17) . . ?
S1_11 Au10 Au01 167.74(15) . . ?
Cu04 Au10 Au01 118.01(7) . . ?
S1_11 Au10 Au16 128.29(16) . . ?
Cu04 Au10 Au16 115.99(8) . . ?
Au01 Au10 Au16 59.56(3) . . ?
S1_11 Au10 Au09 131.61(16) . . ?
Cu04 Au10 Au09 175.26(8) . . ?
Au01 Au10 Au09 59.52(3) . . ?
Au16 Au10 Au09 59.34(4) . . ?
S1_11 Au10 Au08 99.43(15) . . ?
Cu04 Au10 Au08 65.44(7) . . ?
Au01 Au10 Au08 68.81(3) . . ?
Au16 Au10 Au08 120.84(4) . . ?
Au09 Au10 Au08 115.59(5) . . ?
S1_11 Au10 Au07 116.04(16) . . ?
Cu04 Au10 Au07 67.05(7) . . ?
Au01 Au10 Au07 56.59(3) . . ?
Au16 Au10 Au07 63.76(3) . . ?
Au09 Au10 Au07 108.90(4) . . ?
Au08 Au10 Au07 64.79(3) . . ?
S1_11 Au10 Au27 121.08(17) . . ?
Cu04 Au10 Au27 120.24(8) . . ?
Au01 Au10 Au27 56.33(3) . . ?
Au16 Au10 Au27 108.05(4) . . ?
Au09 Au10 Au27 62.42(4) . . ?
Au08 Au10 Au27 57.82(3) . . ?
Au07 Au10 Au27 102.04(4) . . ?
S1_9 Au11 Cu11 51.30(17) . . ?
S1_9 Au11 Au22 166.70(16) . . ?
Cu11 Au11 Au22 115.70(8) . . ?
S1_9 Au11 Au20 125.64(15) . . ?
Cu11 Au11 Au20 114.64(8) . . ?
Au22 Au11 Au20 59.35(4) . . ?
S1_9 Au11 Au15 134.03(16) . . ?
Cu11 Au11 Au15 173.51(9) . . ?
Au22 Au11 Au15 59.15(3) . . ?
Au20 Au11 Au15 59.78(4) . . ?
S1_9 Au11 Au07 103.25(15) . . ?
Cu11 Au11 Au07 66.45(7) . . ?
Au22 Au11 Au07 65.52(3) . . ?
Au20 Au11 Au07 117.70(5) . . ?
Au15 Au11 Au07 112.39(4) . . ?
S1_9 Au11 Au02 113.01(16) . . ?
Cu11 Au11 Au02 65.20(8) . . ?
Au22 Au11 Au02 56.45(3) . . ?
Au20 Au11 Au02 62.91(4) . . ?
Au15 Au11 Au02 108.41(5) . . ?
Au07 Au11 Au02 63.79(3) . . ?
S1_9 Au11 Au28 125.64(15) . . ?
Cu11 Au11 Au28 119.76(7) . . ?
Au22 Au11 Au28 55.21(3) . . ?
Au20 Au11 Au28 107.03(4) . . ?
Au15 Au11 Au28 61.50(3) . . ?
Au07 Au11 Au28 56.14(3) . . ?
Au02 Au11 Au28 101.29(4) . . ?
S1_16 Au12 Cu03 52.16(19) . . ?
S1_16 Au12 Au21 170.09(18) . . ?
Cu03 Au12 Au21 118.18(8) . . ?
S1_16 Au12 Au17 130.35(18) . . ?
Cu03 Au12 Au17 174.74(8) . . ?
Au21 Au12 Au17 59.47(4) . . ?
S1_16 Au12 Au19 124.43(15) . . ?
Cu03 Au12 Au19 115.26(7) . . ?
Au21 Au12 Au19 59.54(3) . . ?
Au17 Au12 Au19 59.51(4) . . ?
S1_16 Au12 Au24 102.54(17) . . ?
Cu03 Au12 Au24 65.29(7) . . ?
Au21 Au12 Au24 69.01(4) . . ?
Au17 Au12 Au24 116.26(4) . . ?
Au19 Au12 Au24 120.42(5) . . ?
S1_16 Au12 Au25 123.78(15) . . ?
Cu03 Au12 Au25 120.06(7) . . ?
Au21 Au12 Au25 56.87(3) . . ?
Au17 Au12 Au25 63.27(3) . . ?
Au19 Au12 Au25 108.97(4) . . ?
Au24 Au12 Au25 58.02(3) . . ?
S1_16 Au12 Au06 116.27(17) . . ?
Cu03 Au12 Au06 67.67(7) . . ?
Au21 Au12 Au06 55.96(3) . . ?
Au17 Au12 Au06 108.11(4) . . ?
Au19 Au12 Au06 62.95(4) . . ?
Au24 Au12 Au06 64.42(3) . . ?
Au25 Au12 Au06 101.79(4) . . ?
S1_4 Au13 Cu09 51.90(16) . . ?
S1_4 Au13 Au23 168.72(16) . . ?
Cu09 Au13 Au23 118.60(8) . . ?
S1_4 Au13 Au18 127.73(17) . . ?
Cu09 Au13 Au18 115.74(8) . . ?
Au23 Au13 Au18 59.95(4) . . ?
S1_4 Au13 Au14 129.65(15) . . ?
Cu09 Au13 Au14 176.58(9) . . ?
Au23 Au13 Au14 60.23(3) . . ?
Au18 Au13 Au14 60.84(4) . . ?
S1_4 Au13 Au05 100.20(16) . . ?
Cu09 Au13 Au05 64.42(7) . . ?
Au23 Au13 Au05 68.73(4) . . ?
Au18 Au13 Au05 119.71(5) . . ?
Au14 Au13 Au05 116.89(4) . . ?
S1_4 Au13 Au04 119.85(17) . . ?
Cu09 Au13 Au04 118.19(8) . . ?
Au23 Au13 Au04 56.76(3) . . ?
Au18 Au13 Au04 110.07(4) . . ?
Au14 Au13 Au04 64.24(3) . . ?
Au05 Au13 Au04 57.57(3) . . ?
S1_4 Au13 Au26 117.75(15) . . ?
Cu09 Au13 Au26 68.65(8) . . ?
Au23 Au13 Au26 56.30(3) . . ?
Au18 Au13 Au26 61.86(4) . . ?
Au14 Au13 Au26 108.80(5) . . ?
Au05 Au13 Au26 64.44(3) . . ?
Au04 Au13 Au26 101.85(4) . . ?
S1_2 Au14 Cu07 51.63(17) . . ?
S1_2 Au14 Au23 165.16(15) . . ?
Cu07 Au14 Au23 114.13(8) . . ?
S1_2 Au14 Au13 127.21(16) . . ?
Cu07 Au14 Au13 114.44(8) . . ?
Au23 Au14 Au13 59.30(3) . . ?
S1_2 Au14 Au18 135.40(16) . . ?
Cu07 Au14 Au18 172.16(8) . . ?
Au23 Au14 Au18 59.13(3) . . ?
Au13 Au14 Au18 59.31(4) . . ?
S1_2 Au14 Au27 102.09(14) . . ?
Cu07 Au14 Au27 63.39(7) . . ?
Au23 Au14 Au27 64.38(3) . . ?
Au13 Au14 Au27 114.84(4) . . ?
Au18 Au14 Au27 113.80(5) . . ?
S1_2 Au14 Au08 123.04(16) . . ?
Cu07 Au14 Au08 117.57(8) . . ?
Au23 Au14 Au08 56.45(3) . . ?
Au13 Au14 Au08 108.47(4) . . ?
Au18 Au14 Au08 63.12(4) . . ?
Au27 Au14 Au08 58.26(3) . . ?
S1_2 Au14 Au04 113.51(17) . . ?
Cu07 Au14 Au04 65.36(7) . . ?
Au23 Au14 Au04 55.60(3) . . ?
Au13 Au14 Au04 61.46(3) . . ?
Au18 Au14 Au04 106.81(4) . . ?
Au27 Au14 Au04 61.07(3) . . ?
Au08 Au14 Au04 101.82(4) . . ?
S1_19 Au15 Cu10 51.81(17) . . ?
S1_19 Au15 Au22 169.74(17) . . ?
Cu10 Au15 Au22 118.20(7) . . ?
S1_19 Au15 Au20 130.25(17) . . ?
Cu10 Au15 Au20 177.91(8) . . ?
Au22 Au15 Au20 59.77(3) . . ?
S1_19 Au15 Au11 124.73(18) . . ?
Cu10 Au15 Au11 118.79(8) . . ?
Au22 Au15 Au11 60.13(4) . . ?
Au20 Au15 Au11 60.08(4) . . ?
S1_19 Au15 Au06 103.78(17) . . ?
Cu10 Au15 Au06 63.81(8) . . ?
Au22 Au15 Au06 67.03(3) . . ?
Au20 Au15 Au06 114.94(5) . . ?
Au11 Au15 Au06 119.03(4) . . ?
S1_19 Au15 Au28 115.83(17) . . ?
Cu10 Au15 Au28 68.44(7) . . ?
Au22 Au15 Au28 56.48(3) . . ?
Au20 Au15 Au28 109.55(4) . . ?
Au11 Au15 Au28 64.52(3) . . ?
Au06 Au15 Au28 62.05(3) . . ?
S1_19 Au15 Au03 123.09(18) . . ?
Cu10 Au15 Au03 115.97(8) . . ?
Au22 Au15 Au03 56.61(3) . . ?
Au20 Au15 Au03 63.58(4) . . ?
Au11 Au15 Au03 109.55(4) . . ?
Au06 Au15 Au03 56.88(3) . . ?
Au28 Au15 Au03 100.94(4) . . ?
S1_18 Au16 Cu05 51.93(16) . . ?
S1_18 Au16 Au01 165.94(15) . . ?
Cu05 Au16 Au01 114.26(8) . . ?
S1_18 Au16 Au09 120.55(15) . . ?
Cu05 Au16 Au09 115.47(8) . . ?
Au01 Au16 Au09 60.02(4) . . ?
S1_18 Au16 Au10 134.07(15) . . ?
Cu05 Au16 Au10 173.66(9) . . ?
Au01 Au16 Au10 59.63(3) . . ?
Au09 Au16 Au10 60.74(4) . . ?
S1_18 Au16 Au28 106.89(15) . . ?
Cu05 Au16 Au28 64.43(7) . . ?
Au01 Au16 Au28 63.97(3) . . ?
Au09 Au16 Au28 116.25(5) . . ?
Au10 Au16 Au28 111.95(4) . . ?
S1_18 Au16 Au24 110.38(15) . . ?
Cu05 Au16 Au24 65.04(8) . . ?
Au01 Au16 Au24 56.39(3) . . ?
Au09 Au16 Au24 62.64(4) . . ?
Au10 Au16 Au24 108.78(5) . . ?
Au28 Au16 Au24 62.43(3) . . ?
S1_18 Au16 Au07 129.69(16) . . ?
Cu05 Au16 Au07 117.37(7) . . ?
Au01 Au16 Au07 55.82(3) . . ?
Au09 Au16 Au07 108.18(4) . . ?
Au10 Au16 Au07 61.43(3) . . ?
Au28 Au16 Au07 56.70(3) . . ?
Au24 Au16 Au07 102.01(4) . . ?
S1_7 Au17 Cu08 51.77(17) . . ?
S1_7 Au17 Au21 168.07(16) . . ?
Cu08 Au17 Au21 116.66(8) . . ?
S1_7 Au17 Au19 131.73(16) . . ?
Cu08 Au17 Au19 176.40(9) . . ?
Au21 Au17 Au19 59.90(4) . . ?
S1_7 Au17 Au12 125.85(15) . . ?
Cu08 Au17 Au12 117.34(8) . . ?
Au21 Au17 Au12 59.65(4) . . ?
Au19 Au17 Au12 60.42(4) . . ?
S1_7 Au17 Au04 103.09(16) . . ?
Cu08 Au17 Au04 62.83(7) . . ?
Au21 Au17 Au04 66.04(4) . . ?
Au19 Au17 Au04 115.16(5) . . ?
Au12 Au17 Au04 116.70(5) . . ?
S1_7 Au17 Au05 122.54(15) . . ?
Cu08 Au17 Au05 115.92(7) . . ?
Au21 Au17 Au05 57.01(3) . . ?
Au19 Au17 Au05 63.59(3) . . ?
Au12 Au17 Au05 109.61(5) . . ?
Au04 Au17 Au05 58.10(3) . . ?
S1_7 Au17 Au25 115.16(15) . . ?
Cu08 Au17 Au25 68.25(7) . . ?
Au21 Au17 Au25 56.29(3) . . ?
Au19 Au17 Au25 108.23(5) . . ?
Au12 Au17 Au25 61.43(3) . . ?
Au04 Au17 Au25 62.68(3) . . ?
Au05 Au17 Au25 102.71(4) . . ?
S1_1 Au18 Cu12 51.55(19) . . ?
S1_1 Au18 Au23 168.66(18) . . ?
Cu12 Au18 Au23 117.15(8) . . ?
S1_1 Au18 Au13 131.36(18) . . ?
Cu12 Au18 Au13 172.79(8) . . ?
Au23 Au18 Au13 59.71(4) . . ?
S1_1 Au18 Au14 121.03(15) . . ?
Cu12 Au18 Au14 112.96(8) . . ?
Au23 Au18 Au14 59.82(3) . . ?
Au13 Au18 Au14 59.85(4) . . ?
S1_1 Au18 Au02 104.24(17) . . ?
Cu12 Au18 Au02 65.53(7) . . ?
Au23 Au18 Au02 68.15(4) . . ?
Au13 Au18 Au02 116.58(5) . . ?
Au14 Au18 Au02 119.10(5) . . ?
S1_1 Au18 Au26 127.48(15) . . ?
Cu12 Au18 Au26 121.24(8) . . ?
Au23 Au18 Au26 56.76(3) . . ?
Au13 Au18 Au26 63.38(4) . . ?
Au14 Au18 Au26 109.23(4) . . ?
Au02 Au18 Au26 58.81(3) . . ?
S1_1 Au18 Au08 113.58(17) . . ?
Cu12 Au18 Au08 66.85(7) . . ?
Au23 Au18 Au08 55.95(3) . . ?
Au13 Au18 Au08 107.33(4) . . ?
Au14 Au18 Au08 61.12(4) . . ?
Au02 Au18 Au08 64.65(3) . . ?
Au26 Au18 Au08 102.73(4) . . ?
S1_6 Au19 Cu02 51.38(16) . . ?
S1_6 Au19 Au21 167.04(15) . . ?
Cu02 Au19 Au21 115.71(8) . . ?
S1_6 Au19 Au17 121.52(17) . . ?
Cu02 Au19 Au17 113.76(8) . . ?
Au21 Au19 Au17 59.64(4) . . ?
S1_6 Au19 Au12 133.29(15) . . ?
Cu02 Au19 Au12 173.25(8) . . ?
Au21 Au19 Au12 59.45(3) . . ?
Au17 Au19 Au12 60.07(4) . . ?
S1_6 Au19 Au03 106.07(16) . . ?
Cu02 Au19 Au03 66.48(8) . . ?
Au21 Au19 Au03 65.17(3) . . ?
Au17 Au19 Au03 117.03(4) . . ?
Au12 Au19 Au03 113.00(5) . . ?
S1_6 Au19 Au05 111.99(15) . . ?
Cu02 Au19 Au05 65.98(7) . . ?
Au21 Au19 Au05 56.14(3) . . ?
Au17 Au19 Au05 61.20(3) . . ?
Au12 Au19 Au05 107.51(4) . . ?
Au03 Au19 Au05 64.26(3) . . ?
S1_6 Au19 Au06 129.05(17) . . ?
Cu02 Au19 Au06 120.34(8) . . ?
Au21 Au19 Au06 55.54(3) . . ?
Au17 Au19 Au06 107.63(4) . . ?
Au12 Au19 Au06 61.77(4) . . ?
Au03 Au19 Au06 56.99(3) . . ?
Au05 Au19 Au06 102.24(4) . . ?
S1_24 Au20 Cu06 51.3(2) . . ?
S1_24 Au20 Au22 164.2(2) . . ?
Cu06 Au20 Au22 112.98(8) . . ?
S1_24 Au20 Au15 124.83(18) . . ?
Cu06 Au20 Au15 114.20(8) . . ?
Au22 Au20 Au15 59.51(3) . . ?
S1_24 Au20 Au11 135.7(2) . . ?
Cu06 Au20 Au11 172.33(8) . . ?
Au22 Au20 Au11 60.07(4) . . ?
Au15 Au20 Au11 60.14(4) . . ?
S1_24 Au20 Au26 102.5(2) . . ?
Cu06 Au20 Au26 63.16(7) . . ?
Au22 Au20 Au26 64.52(3) . . ?
Au15 Au20 Au26 115.86(5) . . ?
Au11 Au20 Au26 113.61(4) . . ?
S1_24 Au20 Au02 125.86(18) . . ?
Cu06 Au20 Au02 117.64(8) . . ?
Au22 Au20 Au02 56.41(3) . . ?
Au15 Au20 Au02 108.18(4) . . ?
Au11 Au20 Au02 62.26(4) . . ?
Au26 Au20 Au02 57.91(3) . . ?
S1_24 Au20 Au03 110.61(19) . . ?
Cu06 Au20 Au03 63.65(7) . . ?
Au22 Au20 Au03 56.14(3) . . ?
Au15 Au20 Au03 62.40(4) . . ?
Au11 Au20 Au03 108.69(4) . . ?
Au26 Au20 Au03 61.80(4) . . ?
Au02 Au20 Au03 102.32(4) . . ?
Au06 Au21 Au05 120.17(4) . . ?
Au06 Au21 Au25 116.84(4) . . ?
Au05 Au21 Au25 117.61(4) . . ?
Au06 Au21 Au17 118.36(4) . . ?
Au05 Au21 Au17 65.35(4) . . ?
Au25 Au21 Au17 67.03(4) . . ?
Au06 Au21 Au12 66.60(4) . . ?
Au05 Au21 Au12 117.83(4) . . ?
Au25 Au21 Au12 65.69(3) . . ?
Au17 Au21 Au12 60.88(4) . . ?
Au06 Au21 Au19 67.38(4) . . ?
Au05 Au21 Au19 66.88(4) . . ?
Au25 Au21 Au19 117.74(4) . . ?
Au17 Au21 Au19 60.46(4) . . ?
Au12 Au21 Au19 61.02(3) . . ?
Au06 Au21 Au23 127.24(4) . . ?
Au05 Au21 Au23 69.56(3) . . ?
Au25 Au21 Au23 94.86(4) . . ?
Au17 Au21 Au23 112.41(4) . . ?
Au12 Au21 Au23 160.54(4) . . ?
Au19 Au21 Au23 134.04(4) . . ?
Au06 Au21 Au01 94.21(4) . . ?
Au05 Au21 Au01 129.52(4) . . ?
Au25 Au21 Au01 65.98(3) . . ?
Au17 Au21 Au01 131.20(4) . . ?
Au12 Au21 Au01 109.06(4) . . ?
Au19 Au21 Au01 161.17(5) . . ?
Au23 Au21 Au01 60.09(3) . . ?
Au06 Au21 Au22 67.77(3) . . ?
Au05 Au21 Au22 97.91(4) . . ?
Au25 Au21 Au22 125.95(4) . . ?
Au17 Au21 Au22 163.20(4) . . ?
Au12 Au21 Au22 131.81(5) . . ?
Au19 Au21 Au22 113.08(4) . . ?
Au23 Au21 Au22 59.47(3) . . ?
Au01 Au21 Au22 59.98(3) . . ?
Au06 Au21 Au03 58.54(3) . . ?
Au05 Au21 Au03 65.78(3) . . ?
Au25 Au21 Au03 174.97(4) . . ?
Au17 Au21 Au03 112.77(4) . . ?
Au12 Au21 Au03 109.62(4) . . ?
Au19 Au21 Au03 59.43(3) . . ?
Au23 Au21 Au03 89.83(3) . . ?
Au01 Au21 Au03 115.21(4) . . ?
Au22 Au21 Au03 55.38(3) . . ?
Au06 Au21 Au04 177.10(5) . . ?
Au05 Au21 Au04 58.17(3) . . ?
Au25 Au21 Au04 63.66(3) . . ?
Au17 Au21 Au04 58.96(3) . . ?
Au12 Au21 Au04 111.73(4) . . ?
Au19 Au21 Au04 109.78(4) . . ?
Au23 Au21 Au04 55.02(3) . . ?
Au01 Au21 Au04 88.58(3) . . ?
Au22 Au21 Au04 114.46(4) . . ?
Au03 Au21 Au04 120.85(4) . . ?
Au06 Au21 Au24 63.51(3) . . ?
Au05 Au21 Au24 173.01(5) . . ?
Au25 Au21 Au24 56.62(3) . . ?
Au17 Au21 Au24 107.77(4) . . ?
Au12 Au21 Au24 57.11(3) . . ?
Au19 Au21 Au24 111.40(4) . . ?
Au23 Au21 Au24 113.58(4) . . ?
Au01 Au21 Au24 53.57(3) . . ?
Au22 Au21 Au24 89.00(4) . . ?
Au03 Au21 Au24 119.70(4) . . ?
Au04 Au21 Au24 117.86(3) . . ?
Au28 Au22 Au15 67.01(4) . . ?
Au28 Au22 Au02 119.39(4) . . ?
Au15 Au22 Au02 118.16(4) . . ?
Au28 Au22 Au20 119.47(5) . . ?
Au15 Au22 Au20 60.72(4) . . ?
Au02 Au22 Au20 67.01(4) . . ?
Au28 Au22 Au03 116.76(4) . . ?
Au15 Au22 Au03 67.16(4) . . ?
Au02 Au22 Au03 119.73(4) . . ?
Au20 Au22 Au03 67.86(4) . . ?
Au28 Au22 Au11 68.69(4) . . ?
Au15 Au22 Au11 60.71(4) . . ?
Au02 Au22 Au11 66.28(4) . . ?
Au20 Au22 Au11 60.58(4) . . ?
Au03 Au22 Au11 119.07(4) . . ?
Au28 Au22 Au23 124.62(4) . . ?
Au15 Au22 Au23 163.34(5) . . ?
Au02 Au22 Au23 68.68(3) . . ?
Au20 Au22 Au23 113.66(4) . . ?
Au03 Au22 Au23 96.19(4) . . ?
Au11 Au22 Au23 132.35(4) . . ?
Au28 Au22 Au01 64.54(3) . . ?
Au15 Au22 Au01 129.38(4) . . ?
Au02 Au22 Au01 97.91(4) . . ?
Au20 Au22 Au01 164.68(5) . . ?
Au03 Au22 Au01 125.08(4) . . ?
Au11 Au22 Au01 111.90(4) . . ?
Au23 Au22 Au01 60.10(3) . . ?
Au28 Au22 Au21 93.69(4) . . ?
Au15 Au22 Au21 110.78(4) . . ?
Au02 Au22 Au21 128.30(4) . . ?
Au20 Au22 Au21 131.35(4) . . ?
Au03 Au22 Au21 65.50(3) . . ?
Au11 Au22 Au21 162.16(4) . . ?
Au23 Au22 Au21 59.73(3) . . ?
Au01 Au22 Au21 59.75(3) . . ?
Au28 Au22 Au26 178.95(5) . . ?
Au15 Au22 Au26 113.07(4) . . ?
Au02 Au22 Au26 59.60(3) . . ?
Au20 Au22 Au26 60.06(3) . . ?
Au03 Au22 Au26 64.06(3) . . ?
Au11 Au22 Au26 110.39(4) . . ?
Au23 Au22 Au26 55.55(3) . . ?
Au01 Au22 Au26 115.65(4) . . ?
Au21 Au22 Au26 87.26(4) . . ?
Au28 Au22 Au07 58.03(3) . . ?
Au15 Au22 Au07 108.55(4) . . ?
Au02 Au22 Au07 64.75(3) . . ?
Au20 Au22 Au07 113.22(4) . . ?
Au03 Au22 Au07 174.70(4) . . ?
Au11 Au22 Au07 59.18(3) . . ?
Au23 Au22 Au07 88.11(3) . . ?
Au01 Au22 Au07 54.77(3) . . ?
Au21 Au22 Au07 114.51(4) . . ?
Au26 Au22 Au07 121.14(4) . . ?
Au28 Au22 Au06 62.50(3) . . ?
Au15 Au22 Au06 58.87(3) . . ?
Au02 Au22 Au06 176.10(4) . . ?
Au20 Au22 Au06 109.11(4) . . ?
Au03 Au22 Au06 57.25(3) . . ?
Au11 Au22 Au06 112.50(4) . . ?
Au23 Au22 Au06 113.43(4) . . ?
Au01 Au22 Au06 85.98(3) . . ?
Au21 Au22 Au06 53.69(3) . . ?
Au26 Au22 Au06 118.49(4) . . ?
Au07 Au22 Au06 118.13(4) . . ?
Au08 Au23 Au26 118.77(4) . . ?
Au08 Au23 Au04 118.57(4) . . ?
Au26 Au23 Au04 117.47(4) . . ?
Au08 Au23 Au13 117.22(4) . . ?
Au26 Au23 Au13 67.01(4) . . ?
Au04 Au23 Au13 66.40(4) . . ?
Au08 Au23 Au18 67.15(4) . . ?
Au26 Au23 Au18 65.89(3) . . ?
Au04 Au23 Au18 118.76(4) . . ?
Au13 Au23 Au18 60.34(4) . . ?
Au08 Au23 Au14 65.49(4) . . ?
Au26 Au23 Au14 118.07(4) . . ?
Au04 Au23 Au14 67.93(4) . . ?
Au13 Au23 Au14 60.47(3) . . ?
Au18 Au23 Au14 61.05(4) . . ?
Au08 Au23 Au22 97.10(4) . . ?
Au26 Au23 Au22 65.57(3) . . ?
Au04 Au23 Au22 127.54(4) . . ?
Au13 Au23 Au22 130.66(4) . . ?
Au18 Au23 Au22 109.76(4) . . ?
Au14 Au23 Au22 162.15(5) . . ?
Au08 Au23 Au21 129.88(4) . . ?
Au26 Au23 Au21 93.61(4) . . ?
Au04 Au23 Au21 66.79(3) . . ?
Au13 Au23 Au21 110.14(4) . . ?
Au18 Au23 Au21 159.27(4) . . ?
Au14 Au23 Au21 133.03(5) . . ?
Au22 Au23 Au21 60.80(3) . . ?
Au08 Au23 Au01 69.71(3) . . ?
Au26 Au23 Au01 126.04(4) . . ?
Au04 Au23 Au01 95.60(4) . . ?
Au13 Au23 Au01 161.98(5) . . ?
Au18 Au23 Au01 133.90(5) . . ?
Au14 Au23 Au01 113.38(4) . . ?
Au22 Au23 Au01 60.46(3) . . ?
Au21 Au23 Au01 60.22(3) . . ?
Au08 Au23 Au27 59.42(3) . . ?
Au26 Au23 Au27 177.55(4) . . ?
Au04 Au23 Au27 63.48(3) . . ?
Au13 Au23 Au27 112.03(4) . . ?
Au18 Au23 Au27 111.67(4) . . ?
Au14 Au23 Au27 59.91(3) . . ?
Au22 Au23 Au27 115.87(4) . . ?
Au21 Au23 Au27 88.84(3) . . ?
Au01 Au23 Au27 55.45(3) . . ?
Au08 Au23 Au02 64.52(3) . . ?
Au26 Au23 Au02 57.97(3) . . ?
Au04 Au23 Au02 174.72(4) . . ?
Au13 Au23 Au02 108.51(4) . . ?
Au18 Au23 Au02 57.69(3) . . ?
Au14 Au23 Au02 111.22(4) . . ?
Au22 Au23 Au02 54.30(3) . . ?
Au21 Au23 Au02 115.01(4) . . ?
Au01 Au23 Au02 89.51(4) . . ?
Au27 Au23 Au02 120.95(4) . . ?
Au08 Au23 Au05 173.75(4) . . ?
Au26 Au23 Au05 63.94(3) . . ?
Au04 Au23 Au05 56.70(3) . . ?
Au13 Au23 Au05 57.85(3) . . ?
Au18 Au23 Au05 110.76(4) . . ?
Au14 Au23 Au05 108.27(4) . . ?
Au22 Au23 Au05 89.15(3) . . ?
Au21 Au23 Au05 53.65(3) . . ?
Au01 Au23 Au05 113.78(4) . . ?
Au27 Au23 Au05 117.67(4) . . ?
Au02 Au23 Au05 119.85(4) . . ?
S1_23 Au24 Au01 149.66(16) . . ?
S1_23 Au24 Au25 139.86(16) . . ?
Au01 Au24 Au25 66.22(3) . . ?
S1_23 Au24 Au12 99.17(15) . . ?
Au01 Au24 Au12 109.24(4) . . ?
Au25 Au24 Au12 63.02(4) . . ?
S1_23 Au24 Cu03 47.45(15) . . ?
Au01 Au24 Cu03 150.17(7) . . ?
Au25 Au24 Cu03 114.87(7) . . ?
Au12 Au24 Cu03 54.77(7) . . ?
S1_23 Au24 Au09 116.72(14) . . ?
Au01 Au24 Au09 57.04(3) . . ?
Au25 Au24 Au09 58.70(3) . . ?
Au12 Au24 Au09 120.29(5) . . ?
Cu03 Au24 Au09 151.27(7) . . ?
S1_23 Au24 Au16 94.53(15) . . ?
Au01 Au24 Au16 56.74(3) . . ?
Au25 Au24 Au16 107.67(4) . . ?
Au12 Au24 Au16 165.97(5) . . ?
Cu03 Au24 Au16 136.93(8) . . ?
Au09 Au24 Au16 54.53(3) . . ?
S1_23 Au24 Au28 95.71(15) . . ?
Au01 Au24 Au28 61.70(3) . . ?
Au25 Au24 Au28 124.42(4) . . ?
Au12 Au24 Au28 118.40(4) . . ?
Cu03 Au24 Au28 101.43(7) . . ?
Au09 Au24 Au28 104.33(4) . . ?
Au16 Au24 Au28 56.68(3) . . ?
S1_23 Au24 Cu05 46.40(16) . . ?
Au01 Au24 Cu05 103.36(7) . . ?
Au25 Au24 Cu05 157.08(7) . . ?
Au12 Au24 Cu05 138.75(7) . . ?
Cu03 Au24 Cu05 84.57(9) . . ?
Au09 Au24 Cu05 98.40(6) . . ?
Au16 Au24 Cu05 52.42(6) . . ?
Au28 Au24 Cu05 58.02(6) . . ?
S1_23 Au24 Au06 97.71(13) . . ?
Au01 Au24 Au06 87.77(3) . . ?
Au25 Au24 Au06 102.05(4) . . ?
Au12 Au24 Au06 59.90(3) . . ?
Cu03 Au24 Au06 62.53(6) . . ?
Au09 Au24 Au06 143.84(4) . . ?
Au16 Au24 Au06 115.32(4) . . ?
Au28 Au24 Au06 59.00(3) . . ?
Cu05 Au24 Au06 97.69(6) . . ?
S1_23 Au24 Au21 144.68(14) . . ?
Au01 Au24 Au21 56.99(3) . . ?
Au25 Au24 Au21 53.71(3) . . ?
Au12 Au24 Au21 53.88(3) . . ?
Cu03 Au24 Au21 98.26(6) . . ?
Au09 Au24 Au21 97.85(4) . . ?
Au16 Au24 Au21 112.38(4) . . ?
Au28 Au24 Au21 81.68(3) . . ?
Cu05 Au24 Au21 139.14(7) . . ?
Au06 Au24 Au21 50.81(3) . . ?
S1_17 Au25 Au21 145.58(14) . . ?
S1_17 Au25 Au24 138.29(14) . . ?
Au21 Au25 Au24 69.67(4) . . ?
S1_17 Au25 Au09 99.99(14) . . ?
Au21 Au25 Au09 112.89(4) . . ?
Au24 Au25 Au09 63.79(3) . . ?
S1_17 Au25 Au12 113.61(14) . . ?
Au21 Au25 Au12 57.44(3) . . ?
Au24 Au25 Au12 58.96(3) . . ?
Au09 Au25 Au12 121.30(4) . . ?
S1_17 Au25 Cu01 47.75(15) . . ?
Au21 Au25 Cu01 153.93(7) . . ?
Au24 Au25 Cu01 114.22(7) . . ?
Au09 Au25 Cu01 54.71(7) . . ?
Au12 Au25 Cu01 147.92(7) . . ?
S1_17 Au25 Au17 90.17(14) . . ?
Au21 Au25 Au17 56.69(3) . . ?
Au24 Au25 Au17 109.83(4) . . ?
Au09 Au25 Au17 169.56(5) . . ?
Au12 Au25 Au17 55.30(3) . . ?
Cu01 Au25 Au17 134.18(7) . . ?
S1_17 Au25 Au01 147.22(14) . . ?
Au21 Au25 Au01 58.82(3) . . ?
Au24 Au25 Au01 55.33(3) . . ?
Au09 Au25 Au01 55.46(3) . . ?
Au12 Au25 Au01 98.59(4) . . ?
Cu01 Au25 Au01 100.90(7) . . ?
Au17 Au25 Au01 114.25(4) . . ?
S1_17 Au25 Au27 97.42(14) . . ?
Au21 Au25 Au27 89.97(4) . . ?
Au24 Au25 Au27 105.57(4) . . ?
Au09 Au25 Au27 61.27(3) . . ?
Au12 Au25 Au27 146.56(4) . . ?
Cu01 Au25 Au27 64.00(6) . . ?
Au17 Au25 Au27 115.31(4) . . ?
Au01 Au25 Au27 53.25(3) . . ?
S1_17 Au25 Au04 91.71(13) . . ?
Au21 Au25 Au04 63.41(3) . . ?
Au24 Au25 Au04 129.93(4) . . ?
Au09 Au25 Au04 120.47(4) . . ?
Au12 Au25 Au04 105.63(4) . . ?
Cu01 Au25 Au04 101.24(7) . . ?
Au17 Au25 Au04 56.22(3) . . ?
Au01 Au25 Au04 85.06(3) . . ?
Au27 Au25 Au04 59.39(3) . . ?
S1_5 Au26 Au23 146.33(17) . . ?
S1_5 Au26 Au02 137.46(16) . . ?
Au23 Au26 Au02 68.32(3) . . ?
S1_5 Au26 Au20 100.47(16) . . ?
Au23 Au26 Au20 112.40(4) . . ?
Au02 Au26 Au20 63.47(4) . . ?
S1_5 Au26 Cu06 48.70(16) . . ?
Au23 Au26 Cu06 152.91(7) . . ?
Au02 Au26 Cu06 115.94(8) . . ?
Au20 Au26 Cu06 55.78(7) . . ?
S1_5 Au26 Au18 111.93(14) . . ?
Au23 Au26 Au18 57.36(3) . . ?
Au02 Au26 Au18 58.62(3) . . ?
Au20 Au26 Au18 120.31(5) . . ?
Cu06 Au26 Au18 149.15(7) . . ?
S1_5 Au26 Au22 148.01(15) . . ?
Au23 Au26 Au22 58.87(3) . . ?
Au02 Au26 Au22 55.51(3) . . ?
Au20 Au26 Au22 55.43(3) . . ?
Cu06 Au26 Au22 100.09(7) . . ?
Au18 Au26 Au22 99.26(4) . . ?
S1_5 Au26 Au13 90.46(16) . . ?
Au23 Au26 Au13 56.68(3) . . ?
Au02 Au26 Au13 108.60(4) . . ?
Au20 Au26 Au13 169.06(4) . . ?
Cu06 Au26 Au13 134.09(8) . . ?
Au18 Au26 Au13 54.76(3) . . ?
Au22 Au26 Au13 114.20(4) . . ?
S1_5 Au26 Au03 97.83(14) . . ?
Au23 Au26 Au03 91.50(4) . . ?
Au02 Au26 Au03 106.34(4) . . ?
Au20 Au26 Au03 61.97(4) . . ?
Cu06 Au26 Au03 61.43(7) . . ?
Au18 Au26 Au03 148.12(4) . . ?
Au22 Au26 Au03 53.84(3) . . ?
Au13 Au26 Au03 116.21(4) . . ?
S1_5 Au26 Au05 91.61(16) . . ?
Au23 Au26 Au05 65.02(3) . . ?
Au02 Au26 Au05 130.70(4) . . ?
Au20 Au26 Au05 122.57(4) . . ?
Cu06 Au26 Au05 99.32(7) . . ?
Au18 Au26 Au05 105.62(4) . . ?
Au22 Au26 Au05 86.56(3) . . ?
Au13 Au26 Au05 55.79(3) . . ?
Au03 Au26 Au05 60.82(3) . . ?
S1_21 Au27 Au01 147.15(15) . . ?
S1_21 Au27 Au08 136.04(15) . . ?
Au01 Au27 Au08 69.40(4) . . ?
S1_21 Au27 Au14 99.29(15) . . ?
Au01 Au27 Au14 112.91(4) . . ?
Au08 Au27 Au14 62.08(4) . . ?
S1_21 Au27 Cu07 47.64(16) . . ?
Au01 Au27 Cu07 154.63(7) . . ?
Au08 Au27 Cu07 113.54(7) . . ?
Au14 Au27 Cu07 55.21(6) . . ?
S1_21 Au27 Au23 147.57(16) . . ?
Au01 Au27 Au23 59.16(3) . . ?
Au08 Au27 Au23 55.01(3) . . ?
Au14 Au27 Au23 55.71(3) . . ?
Cu07 Au27 Au23 100.70(6) . . ?
S1_21 Au27 Au10 113.07(15) . . ?
Au01 Au27 Au10 56.87(3) . . ?
Au08 Au27 Au10 58.61(3) . . ?
Au14 Au27 Au10 118.99(4) . . ?
Cu07 Au27 Au10 147.49(7) . . ?
Au23 Au27 Au10 98.15(4) . . ?
S1_21 Au27 Au09 90.95(15) . . ?
Au01 Au27 Au09 57.00(3) . . ?
Au08 Au27 Au09 109.81(4) . . ?
Au14 Au27 Au09 169.74(5) . . ?
Cu07 Au27 Au09 134.59(7) . . ?
Au23 Au27 Au09 114.94(4) . . ?
Au10 Au27 Au09 55.34(3) . . ?
S1_21 Au27 Au04 98.04(15) . . ?
Au01 Au27 Au04 91.51(4) . . ?
Au08 Au27 Au04 105.42(4) . . ?
Au14 Au27 Au04 62.36(3) . . ?
Cu07 Au27 Au04 63.20(6) . . ?
Au23 Au27 Au04 53.74(3) . . ?
Au10 Au27 Au04 147.30(4) . . ?
Au09 Au27 Au04 116.95(4) . . ?
S1_21 Au27 Au25 94.42(15) . . ?
Au01 Au27 Au25 63.25(3) . . ?
Au08 Au27 Au25 129.46(4) . . ?
Au14 Au27 Au25 122.66(4) . . ?
Cu07 Au27 Au25 102.44(7) . . ?
Au23 Au27 Au25 85.17(3) . . ?
Au10 Au27 Au25 105.34(4) . . ?
Au09 Au27 Au25 56.44(3) . . ?
Au04 Au27 Au25 60.68(3) . . ?
S1_21 Au27 Cu01 44.60(16) . . ?
Au01 Au27 Cu01 103.12(6) . . ?
Au08 Au27 Cu01 155.87(7) . . ?
Au14 Au27 Cu01 138.31(7) . . ?
Cu07 Au27 Cu01 83.31(9) . . ?
Au23 Au27 Cu01 141.88(6) . . ?
Au10 Au27 Cu01 97.76(7) . . ?
Au09 Au27 Cu01 51.28(6) . . ?
Au04 Au27 Cu01 97.54(6) . . ?
Au25 Au27 Cu01 57.23(6) . . ?
S1_13 Au28 Au22 146.49(14) . . ?
S1_13 Au28 Au07 138.72(15) . . ?
Au22 Au28 Au07 66.75(3) . . ?
S1_13 Au28 Au16 99.71(14) . . ?
Au22 Au28 Au16 113.09(4) . . ?
Au07 Au28 Au16 64.57(3) . . ?
S1_13 Au28 Cu05 48.07(15) . . ?
Au22 Au28 Cu05 155.20(8) . . ?
Au07 Au28 Cu05 115.63(7) . . ?
Au16 Au28 Cu05 54.67(6) . . ?
S1_13 Au28 Au01 146.76(14) . . ?
Au22 Au28 Au01 59.72(3) . . ?
Au07 Au28 Au01 55.89(3) . . ?
Au16 Au28 Au01 55.70(3) . . ?
Cu05 Au28 Au01 99.97(7) . . ?
S1_13 Au28 Au15 90.78(14) . . ?
Au22 Au28 Au15 56.51(3) . . ?
Au07 Au28 Au15 107.29(4) . . ?
Au16 Au28 Au15 169.52(5) . . ?
Cu05 Au28 Au15 135.22(7) . . ?
Au01 Au28 Au15 114.65(4) . . ?
S1_13 Au28 Au06 92.53(15) . . ?
Au22 Au28 Au06 64.79(3) . . ?
Au07 Au28 Au06 128.53(4) . . ?
Au16 Au28 Au06 121.99(4) . . ?
Cu05 Au28 Au06 101.70(7) . . ?
Au01 Au28 Au06 84.87(4) . . ?
Au15 Au28 Au06 56.90(3) . . ?
S1_13 Au28 Au24 96.15(14) . . ?
Au22 Au28 Au24 93.95(4) . . ?
Au07 Au28 Au24 106.47(4) . . ?
Au16 Au28 Au24 60.89(3) . . ?
Cu05 Au28 Au24 61.36(7) . . ?
Au01 Au28 Au24 53.73(3) . . ?
Au15 Au28 Au24 118.24(4) . . ?
Au06 Au28 Au24 61.51(3) . . ?
S1_13 Au28 Au11 112.81(14) . . ?
Au22 Au28 Au11 56.09(3) . . ?
Au07 Au28 Au11 58.07(3) . . ?
Au16 Au28 Au11 120.64(4) . . ?
Cu05 Au28 Au11 147.77(8) . . ?
Au01 Au28 Au11 99.77(4) . . ?
Au15 Au28 Au11 53.98(3) . . ?
Au06 Au28 Au11 105.23(4) . . ?
Au24 Au28 Au11 149.21(5) . . ?
S1_13 Au28 Cu10 44.49(15) . . ?
Au22 Au28 Cu10 102.53(7) . . ?
Au07 Au28 Cu10 154.15(7) . . ?
Au16 Au28 Cu10 138.63(7) . . ?
Cu05 Au28 Cu10 84.26(8) . . ?
Au01 Au28 Cu10 140.60(7) . . ?
Au15 Au28 Cu10 50.96(6) . . ?
Au06 Au28 Cu10 56.15(7) . . ?
Au24 Au28 Cu10 97.46(7) . . ?
Au11 Au28 Cu10 96.22(6) . . ?
S1_12 Cu01 S1_21 130.3(3) . . ?
S1_12 Cu01 S1_17 125.0(2) . . ?
S1_21 Cu01 S1_17 104.6(2) . . ?
S1_12 Cu01 Au09 57.68(18) . . ?
S1_21 Cu01 Au09 105.2(2) . . ?
S1_17 Cu01 Au09 111.3(2) . . ?
S1_12 Cu01 Au25 105.92(19) . . ?
S1_21 Cu01 Au25 101.04(18) . . ?
S1_17 Cu01 Au25 54.12(17) . . ?
Au09 Cu01 Au25 60.23(7) . . ?
S1_12 Cu01 Au27 113.7(2) . . ?
S1_21 Cu01 Au27 50.80(18) . . ?
S1_17 Cu01 Au27 97.91(17) . . ?
Au09 Cu01 Au27 60.82(7) . . ?
Au25 Cu01 Au27 58.77(6) . . ?
S1_6 Cu02 S1_22 131.1(3) . . ?
S1_6 Cu02 S1_15 119.7(3) . . ?
S1_22 Cu02 S1_15 109.1(3) . . ?
S1_6 Cu02 Au19 56.88(17) . . ?
S1_22 Cu02 Au19 107.28(18) . . ?
S1_15 Cu02 Au19 107.23(19) . . ?
S1_6 Cu02 Au03 104.4(2) . . ?
S1_22 Cu02 Au03 102.50(19) . . ?
S1_15 Cu02 Au03 52.72(16) . . ?
Au19 Cu02 Au03 59.19(7) . . ?
S1_6 Cu02 Au05 112.84(19) . . ?
S1_22 Cu02 Au05 51.04(17) . . ?
S1_15 Cu02 Au05 101.21(17) . . ?
Au19 Cu02 Au05 61.55(6) . . ?
Au03 Cu02 Au05 60.72(6) . . ?
S1_14 Cu03 S1_16 133.4(3) . . ?
S1_14 Cu03 S1_23 108.7(3) . . ?
S1_16 Cu03 S1_23 117.9(3) . . ?
S1_14 Cu03 Au12 105.44(19) . . ?
S1_16 Cu03 Au12 57.21(18) . . ?
S1_23 Cu03 Au12 111.0(2) . . ?
S1_14 Cu03 Au24 103.26(19) . . ?
S1_16 Cu03 Au24 102.07(19) . . ?
S1_23 Cu03 Au24 54.89(17) . . ?
Au12 Cu03 Au24 59.95(7) . . ?
S1_14 Cu03 Au06 51.17(17) . . ?
S1_16 Cu03 Au06 114.31(19) . . ?
S1_23 Cu03 Au06 101.78(19) . . ?
Au12 Cu03 Au06 60.61(7) . . ?
Au24 Cu03 Au06 60.61(6) . . ?
S1_10 Cu04 S1_11 139.5(3) . . ?
S1_10 Cu04 S1_20 107.1(2) . . ?
S1_11 Cu04 S1_20 113.2(3) . . ?
S1_10 Cu04 Au10 106.4(2) . . ?
S1_11 Cu04 Au10 57.22(18) . . ?
S1_20 Cu04 Au10 108.5(2) . . ?
S1_10 Cu04 Au08 101.95(19) . . ?
S1_11 Cu04 Au08 99.3(2) . . ?
S1_20 Cu04 Au08 52.44(18) . . ?
Au10 Cu04 Au08 59.82(7) . . ?
S1_10 Cu04 Au07 50.83(18) . . ?
S1_11 Cu04 Au07 115.5(2) . . ?
S1_20 Cu04 Au07 100.62(18) . . ?
Au10 Cu04 Au07 60.60(7) . . ?
Au08 Cu04 Au07 61.05(6) . . ?
S1_18 Cu05 S1_23 128.5(2) . . ?
S1_18 Cu05 S1_13 126.8(3) . . ?
S1_23 Cu05 S1_13 104.5(2) . . ?
S1_18 Cu05 Au16 57.72(18) . . ?
S1_23 Cu05 Au16 110.2(2) . . ?
S1_13 Cu05 Au16 111.33(19) . . ?
S1_18 Cu05 Au28 108.62(19) . . ?
S1_23 Cu05 Au28 103.74(19) . . ?
S1_13 Cu05 Au28 54.22(17) . . ?
Au16 Cu05 Au28 60.89(7) . . ?
S1_18 Cu05 Au24 113.1(2) . . ?
S1_23 Cu05 Au24 53.45(18) . . ?
S1_13 Cu05 Au24 100.13(19) . . ?
Au16 Cu05 Au24 62.54(7) . . ?
Au28 Cu05 Au24 60.63(7) . . ?
S1_15 Cu06 S1_24 132.0(3) . . ?
S1_15 Cu06 S1_5 108.4(3) . . ?
S1_24 Cu06 S1_5 119.6(3) . . ?
S1_15 Cu06 Au20 110.0(2) . . ?
S1_24 Cu06 Au20 56.07(19) . . ?
S1_5 Cu06 Au20 111.24(19) . . ?
S1_15 Cu06 Au26 104.94(18) . . ?
S1_24 Cu06 Au26 104.5(2) . . ?
S1_5 Cu06 Au26 55.13(16) . . ?
Au20 Cu06 Au26 61.06(7) . . ?
S1_15 Cu06 Au03 53.06(15) . . ?
S1_24 Cu06 Au03 114.8(2) . . ?
S1_5 Cu06 Au03 102.49(18) . . ?
Au20 Cu06 Au03 63.53(7) . . ?
Au26 Cu06 Au03 61.16(6) . . ?
S1_2 Cu07 S1_21 119.2(3) . . ?
S1_2 Cu07 S1_3 131.7(3) . . ?
S1_21 Cu07 S1_3 109.0(3) . . ?
S1_2 Cu07 Au14 56.77(19) . . ?
S1_21 Cu07 Au14 112.4(2) . . ?
S1_3 Cu07 Au14 107.4(2) . . ?
S1_2 Cu07 Au27 104.4(2) . . ?
S1_21 Cu07 Au27 55.57(19) . . ?
S1_3 Cu07 Au27 104.2(2) . . ?
Au14 Cu07 Au27 61.40(8) . . ?
S1_2 Cu07 Au04 116.0(2) . . ?
S1_21 Cu07 Au04 101.23(19) . . ?
S1_3 Cu07 Au04 52.31(18) . . ?
Au14 Cu07 Au04 62.95(7) . . ?
Au27 Cu07 Au04 59.77(6) . . ?
S1_3 Cu08 S1_7 122.6(3) . . ?
S1_3 Cu08 S1_17 107.9(2) . . ?
S1_7 Cu08 S1_17 129.5(3) . . ?
S1_3 Cu08 Au17 113.5(2) . . ?
S1_7 Cu08 Au17 57.03(19) . . ?
S1_17 Cu08 Au17 104.2(2) . . ?
S1_3 Cu08 Au04 56.26(19) . . ?
S1_7 Cu08 Au04 106.02(18) . . ?
S1_17 Cu08 Au04 101.1(2) . . ?
Au17 Cu08 Au04 61.40(7) . . ?
S1_5 Cu09 S1_4 136.4(3) . . ?
S1_5 Cu09 S1_22 107.3(3) . . ?
S1_4 Cu09 S1_22 116.1(3) . . ?
S1_5 Cu09 Au13 104.7(2) . . ?
S1_4 Cu09 Au13 56.46(18) . . ?
S1_22 Cu09 Au13 110.85(19) . . ?
S1_5 Cu09 Au05 101.31(18) . . ?
S1_4 Cu09 Au05 100.62(18) . . ?
S1_22 Cu09 Au05 53.87(17) . . ?
Au13 Cu09 Au05 60.73(7) . . ?
S1_19 Cu10 S1_13 131.7(3) . . ?
S1_19 Cu10 S1_14 122.7(3) . . ?
S1_13 Cu10 S1_14 105.6(2) . . ?
S1_19 Cu10 Au15 57.39(19) . . ?
S1_13 Cu10 Au15 104.57(19) . . ?
S1_14 Cu10 Au15 112.5(2) . . ?
S1_19 Cu10 Au06 106.1(2) . . ?
S1_13 Cu10 Au06 99.55(18) . . ?
S1_14 Cu10 Au06 55.07(17) . . ?
Au15 Cu10 Au06 61.37(7) . . ?
S1_19 Cu10 Au28 113.6(2) . . ?
S1_13 Cu10 Au28 49.98(16) . . ?
S1_14 Cu10 Au28 100.48(18) . . ?
Au15 Cu10 Au28 60.60(6) . . ?
Au06 Cu10 Au28 58.93(6) . . ?
S1_9 Cu11 S1_8 135.8(3) . . ?
S1_9 Cu11 S1_10 115.4(3) . . ?
S1_8 Cu11 S1_10 108.7(3) . . ?
S1_9 Cu11 Au11 56.45(19) . . ?
S1_8 Cu11 Au11 108.8(2) . . ?
S1_10 Cu11 Au11 106.5(2) . . ?
S1_9 Cu11 Au07 101.21(19) . . ?
S1_8 Cu11 Au07 103.6(2) . . ?
S1_10 Cu11 Au07 52.04(18) . . ?
Au11 Cu11 Au07 59.06(7) . . ?
S1_9 Cu11 Au02 114.4(2) . . ?
S1_8 Cu11 Au02 52.63(19) . . ?
S1_10 Cu11 Au02 100.3(2) . . ?
Au11 Cu11 Au02 61.57(7) . . ?
Au07 Cu11 Au02 60.44(7) . . ?
S1_1 Cu12 S1_20 134.5(3) . . ?
S1_1 Cu12 S1_8 118.9(3) . . ?
S1_20 Cu12 S1_8 106.5(3) . . ?
S1_1 Cu12 Au18 56.54(19) . . ?
S1_20 Cu12 Au18 106.9(2) . . ?
S1_8 Cu12 Au18 109.2(2) . . ?
S1_1 Cu12 Au02 103.21(19) . . ?
S1_20 Cu12 Au02 100.53(19) . . ?
S1_8 Cu12 Au02 54.12(18) . . ?
Au18 Cu12 Au02 59.53(7) . . ?
S1_1 Cu12 Au08 112.8(2) . . ?
S1_20 Cu12 Au08 50.05(18) . . ?
S1_8 Cu12 Au08 102.43(19) . . ?
Au18 Cu12 Au08 61.13(7) . . ?
Au02 Cu12 Au08 61.05(6) . . ?
C2_1 C1_1 C6_1 116.5(12) . . ?
C2_1 C1_1 S1_1 121.0(11) . . ?
C6_1 C1_1 S1_1 122.2(11) . . ?
C1_1 C2_1 C3_1 122.7(15) . . ?
C4_1 C3_1 C2_1 117.9(15) . . ?
C5_1 C4_1 C3_1 121.3(13) . . ?
C5_1 C4_1 Cl2_1 120.8(12) . . ?
C3_1 C4_1 Cl2_1 117.9(12) . . ?
C4_1 C5_1 C6_1 120.1(14) . . ?
C5_1 C6_1 C1_1 120.7(13) . . ?
C5_1 C6_1 Cl1_1 117.3(12) . . ?
C1_1 C6_1 Cl1_1 121.1(11) . . ?
C1_1 S1_1 Cu12 107.9(8) . . ?
C1_1 S1_1 Au18 103.6(7) . . ?
Cu12 S1_1 Au18 71.9(2) . . ?
C2_2 C1_2 C6_2 117.1(11) . . ?
C2_2 C1_2 S1_2 122.8(11) . . ?
C6_2 C1_2 S1_2 120.0(10) . . ?
C1_2 C2_2 C3_2 121.8(14) . . ?
C4_2 C3_2 C2_2 118.3(14) . . ?
C5_2 C4_2 C3_2 121.8(13) . . ?
C5_2 C4_2 Cl2_2 119.4(11) . . ?
C3_2 C4_2 Cl2_2 118.8(11) . . ?
C4_2 C5_2 C6_2 119.1(13) . . ?
C5_2 C6_2 C1_2 121.8(12) . . ?
C5_2 C6_2 Cl1_2 118.8(11) . . ?
C1_2 C6_2 Cl1_2 119.4(11) . . ?
C1_2 S1_2 Cu07 106.3(9) . . ?
C1_2 S1_2 Au14 107.9(5) . . ?
Cu07 S1_2 Au14 71.60(19) . . ?
C2_3 C1_3 C6_3 117.4(12) . . ?
C2_3 C1_3 S1_3 122.1(11) . . ?
C6_3 C1_3 S1_3 120.5(10) . . ?
C1_3 C2_3 C3_3 122.9(14) . . ?
C4_3 C3_3 C2_3 117.0(14) . . ?
C5_3 C4_3 C3_3 122.5(13) . . ?
C5_3 C4_3 Cl2_3 119.4(12) . . ?
C3_3 C4_3 Cl2_3 117.8(12) . . ?
C4_3 C5_3 C6_3 119.4(14) . . ?
C5_3 C6_3 C1_3 120.7(12) . . ?
C5_3 C6_3 Cl1_3 118.0(11) . . ?
C1_3 C6_3 Cl1_3 121.3(11) . . ?
C1_3 S1_3 Cu08 115.8(8) . . ?
C1_3 S1_3 Cu07 115.6(8) . . ?
Cu08 S1_3 Cu07 127.6(3) . . ?
C1_3 S1_3 Au04 104.8(6) . . ?
Cu08 S1_3 Au04 75.6(2) . . ?
Cu07 S1_3 Au04 82.4(2) . . ?
C2_4 C1_4 C6_4 118.4(12) . . ?
C2_4 C1_4 S1_4 123.2(11) . . ?
C6_4 C1_4 S1_4 118.3(11) . . ?
C1_4 C2_4 C3_4 120.9(15) . . ?
C4_4 C3_4 C2_4 118.5(15) . . ?
C5_4 C4_4 C3_4 121.9(13) . . ?
C5_4 C4_4 Cl2_4 120.1(13) . . ?
C3_4 C4_4 Cl2_4 117.9(13) . . ?
C4_4 C5_4 C6_4 119.2(14) . . ?
C5_4 C6_4 C1_4 120.9(13) . . ?
C5_4 C6_4 Cl1_4 119.2(12) . . ?
C1_4 C6_4 Cl1_4 119.9(11) . . ?
C1_4 S1_4 Cu09 104.2(8) . . ?
C1_4 S1_4 Au13 110.5(6) . . ?
Cu09 S1_4 Au13 71.6(2) . . ?
C2_5 C1_5 C6_5 117.4(12) . . ?
C2_5 C1_5 S1_5 123.0(11) . . ?
C6_5 C1_5 S1_5 119.6(11) . . ?
C1_5 C2_5 C3_5 122.7(14) . . ?
C4_5 C3_5 C2_5 117.5(14) . . ?
C5_5 C4_5 C3_5 121.3(13) . . ?
C5_5 C4_5 Cl2_5 120.5(12) . . ?
C3_5 C4_5 Cl2_5 118.1(12) . . ?
C4_5 C5_5 C6_5 120.5(14) . . ?
C5_5 C6_5 C1_5 120.6(12) . . ?
C5_5 C6_5 Cl1_5 118.2(11) . . ?
C1_5 C6_5 Cl1_5 121.3(11) . . ?
C1_5 S1_5 Cu09 114.8(9) . . ?
C1_5 S1_5 Cu06 114.6(9) . . ?
Cu09 S1_5 Cu06 130.4(3) . . ?
C1_5 S1_5 Au26 106.2(6) . . ?
Cu09 S1_5 Au26 86.2(2) . . ?
Cu06 S1_5 Au26 76.2(2) . . ?
C2_6 C1_6 C6_6 117.4(12) . . ?
C2_6 C1_6 S1_6 121.0(11) . . ?
C6_6 C1_6 S1_6 121.6(11) . . ?
C1_6 C2_6 C3_6 122.2(15) . . ?
C4_6 C3_6 C2_6 118.1(14) . . ?
C5_6 C4_6 C3_6 121.5(13) . . ?
C5_6 C4_6 Cl2_6 120.2(12) . . ?
C3_6 C4_6 Cl2_6 118.3(12) . . ?
C4_6 C5_6 C6_6 120.0(14) . . ?
C5_6 C6_6 C1_6 120.8(12) . . ?
C5_6 C6_6 Cl1_6 117.4(11) . . ?
C1_6 C6_6 Cl1_6 121.8(11) . . ?
C1_6 S1_6 Cu02 104.3(8) . . ?
C1_6 S1_6 Au19 108.0(7) . . ?
Cu02 S1_6 Au19 71.7(2) . . ?
C2_7 C1_7 C6_7 116.4(12) . . ?
C2_7 C1_7 S1_7 123.7(11) . . ?
C6_7 C1_7 S1_7 119.9(11) . . ?
C1_7 C2_7 C3_7 122.9(14) . . ?
C4_7 C3_7 C2_7 117.9(14) . . ?
C5_7 C4_7 C3_7 121.1(13) . . ?
C5_7 C4_7 Cl2_7 119.5(12) . . ?
C3_7 C4_7 Cl2_7 119.2(12) . . ?
C4_7 C5_7 C6_7 119.9(14) . . ?
C5_7 C6_7 C1_7 121.5(12) . . ?
C5_7 C6_7 Cl1_7 119.0(11) . . ?
C1_7 C6_7 Cl1_7 119.5(11) . . ?
C1_7 S1_7 Cu08 113.8(8) . . ?
C1_7 S1_7 Au17 108.6(6) . . ?
Cu08 S1_7 Au17 71.2(2) . . ?
C2_8 C1_8 C6_8 117.0(11) . . ?
C2_8 C1_8 S1_8 121.7(10) . . ?
C6_8 C1_8 S1_8 121.0(10) . . ?
C1_8 C2_8 C3_8 122.2(14) . . ?
C4_8 C3_8 C2_8 118.0(14) . . ?
C5_8 C4_8 C3_8 121.4(13) . . ?
C5_8 C4_8 Cl2_8 119.2(12) . . ?
C3_8 C4_8 Cl2_8 119.1(12) . . ?
C4_8 C5_8 C6_8 120.4(14) . . ?
C5_8 C6_8 C1_8 120.5(12) . . ?
C5_8 C6_8 Cl1_8 118.4(11) . . ?
C1_8 C6_8 Cl1_8 120.9(10) . . ?
C1_8 S1_8 Cu11 116.3(8) . . ?
C1_8 S1_8 Cu12 113.6(8) . . ?
Cu11 S1_8 Cu12 129.6(3) . . ?
C1_8 S1_8 Au02 105.7(7) . . ?
Cu11 S1_8 Au02 81.3(2) . . ?
Cu12 S1_8 Au02 78.6(2) . . ?
C2_9 C1_9 C6_9 116.3(12) . . ?
C2_9 C1_9 S1_9 121.4(11) . . ?
C6_9 C1_9 S1_9 122.3(11) . . ?
C1_9 C2_9 C3_9 121.4(15) . . ?
C4_9 C3_9 C2_9 118.9(14) . . ?
C5_9 C4_9 C3_9 121.0(13) . . ?
C5_9 C4_9 Cl2_9 119.4(12) . . ?
C3_9 C4_9 Cl2_9 119.6(12) . . ?
C4_9 C5_9 C6_9 119.2(13) . . ?
C5_9 C6_9 C1_9 122.1(12) . . ?
C5_9 C6_9 Cl1_9 117.2(11) . . ?
C1_9 C6_9 Cl1_9 120.6(11) . . ?
C1_9 S1_9 Cu11 103.6(9) . . ?
C1_9 S1_9 Au11 106.2(8) . . ?
Cu11 S1_9 Au11 72.3(2) . . ?
C2_10 C1_10 C6_10 116.6(12) . . ?
C2_10 C1_10 S1_10 122.9(11) . . ?
C6_10 C1_10 S1_10 120.2(10) . . ?
C1_10 C2_10 C3_10 121.8(14) . . ?
C4_10 C3_10 C2_10 118.6(14) . . ?
C5_10 C4_10 C3_10 121.9(13) . . ?
C5_10 C4_10 Cl2_10 119.5(12) . . ?
C3_10 C4_10 Cl2_10 118.3(11) . . ?
C4_10 C5_10 C6_10 119.1(14) . . ?
C5_10 C6_10 C1_10 121.9(12) . . ?
C5_10 C6_10 Cl1_10 117.9(11) . . ?
C1_10 C6_10 Cl1_10 120.1(11) . . ?
C1_10 S1_10 Cu04 117.2(8) . . ?
C1_10 S1_10 Cu11 112.4(8) . . ?
Cu04 S1_10 Cu11 130.5(3) . . ?
C1_10 S1_10 Au07 107.2(6) . . ?
Cu04 S1_10 Au07 84.5(2) . . ?
Cu11 S1_10 Au07 81.4(2) . . ?
C2_11 C1_11 C6_11 116.5(12) . . ?
C2_11 C1_11 S1_11 123.0(11) . . ?
C6_11 C1_11 S1_11 120.4(10) . . ?
C1_11 C2_11 C3_11 121.9(14) . . ?
C4_11 C3_11 C2_11 118.7(14) . . ?
C5_11 C4_11 C3_11 121.7(13) . . ?
C5_11 C4_11 Cl2_11 118.6(12) . . ?
C3_11 C4_11 Cl2_11 119.7(12) . . ?
C4_11 C5_11 C6_11 118.9(14) . . ?
C5_11 C6_11 C1_11 122.1(12) . . ?
C5_11 C6_11 Cl1_11 118.7(11) . . ?
C1_11 C6_11 Cl1_11 119.2(11) . . ?
C1_11 S1_11 Cu04 111.0(9) . . ?
C1_11 S1_11 Au10 110.6(6) . . ?
Cu04 S1_11 Au10 71.46(19) . . ?
C2_12 C1_12 C6_12 116.2(12) . . ?
C2_12 C1_12 S1_12 122.0(11) . . ?
C6_12 C1_12 S1_12 121.5(11) . . ?
C1_12 C2_12 C3_12 122.4(14) . . ?
C4_12 C3_12 C2_12 119.3(14) . . ?
C5_12 C4_12 C3_12 120.4(13) . . ?
C5_12 C4_12 Cl2_12 120.0(11) . . ?
C3_12 C4_12 Cl2_12 119.6(12) . . ?
C4_12 C5_12 C6_12 119.8(13) . . ?
C5_12 C6_12 C1_12 121.6(12) . . ?
C5_12 C6_12 Cl1_12 118.6(11) . . ?
C1_12 C6_12 Cl1_12 119.7(10) . . ?
C1_12 S1_12 Cu01 106.3(9) . . ?
C1_12 S1_12 Au09 108.1(6) . . ?
Cu01 S1_12 Au09 70.69(18) . . ?
C2_13 C1_13 C6_13 116.9(12) . . ?
C2_13 C1_13 S1_13 121.6(11) . . ?
C6_13 C1_13 S1_13 121.3(11) . . ?
C1_13 C2_13 C3_13 121.5(14) . . ?
C4_13 C3_13 C2_13 118.4(14) . . ?
C5_13 C4_13 C3_13 121.9(13) . . ?
C5_13 C4_13 Cl2_13 119.6(12) . . ?
C3_13 C4_13 Cl2_13 118.5(12) . . ?
C4_13 C5_13 C6_13 118.8(14) . . ?
C5_13 C6_13 C1_13 121.7(12) . . ?
C5_13 C6_13 Cl1_13 117.5(11) . . ?
C1_13 C6_13 Cl1_13 120.5(11) . . ?
C1_13 S1_13 Cu10 111.7(7) . . ?
C1_13 S1_13 Cu05 114.7(7) . . ?
Cu10 S1_13 Cu05 133.4(3) . . ?
C1_13 S1_13 Au28 107.0(6) . . ?
Cu10 S1_13 Au28 85.5(2) . . ?
Cu05 S1_13 Au28 77.7(2) . . ?
C2_14 C1_14 C6_14 117.0(12) . . ?
C2_14 C1_14 S1_14 122.6(11) . . ?
C6_14 C1_14 S1_14 120.3(10) . . ?
C1_14 C2_14 C3_14 122.2(14) . . ?
C4_14 C3_14 C2_14 118.4(14) . . ?
C5_14 C4_14 C3_14 121.3(13) . . ?
C5_14 C4_14 Cl2_14 121.0(12) . . ?
C3_14 C4_14 Cl2_14 117.6(12) . . ?
C4_14 C5_14 C6_14 119.7(14) . . ?
C5_14 C6_14 C1_14 121.3(12) . . ?
C5_14 C6_14 Cl1_14 118.5(11) . . ?
C1_14 C6_14 Cl1_14 120.2(10) . . ?
C1_14 S1_14 Cu03 113.0(9) . . ?
C1_14 S1_14 Cu10 116.7(8) . . ?
Cu03 S1_14 Cu10 129.6(3) . . ?
C1_14 S1_14 Au06 104.3(6) . . ?
Cu03 S1_14 Au06 84.3(2) . . ?
Cu10 S1_14 Au06 76.5(2) . . ?
C2_15 C1_15 C6_15 117.3(12) . . ?
C2_15 C1_15 S1_15 121.6(11) . . ?
C6_15 C1_15 S1_15 121.1(11) . . ?
C1_15 C2_15 C3_15 122.9(15) . . ?
C4_15 C3_15 C2_15 117.3(14) . . ?
C5_15 C4_15 C3_15 122.0(13) . . ?
C5_15 C4_15 Cl2_15 119.5(12) . . ?
C3_15 C4_15 Cl2_15 118.4(12) . . ?
C4_15 C5_15 C6_15 120.0(13) . . ?
C5_15 C6_15 C1_15 120.4(12) . . ?
C5_15 C6_15 Cl1_15 118.5(11) . . ?
C1_15 C6_15 Cl1_15 121.0(10) . . ?
C1_15 S1_15 Cu06 115.7(8) . . ?
C1_15 S1_15 Cu02 115.9(8) . . ?
Cu06 S1_15 Cu02 128.3(3) . . ?
C1_15 S1_15 Au03 108.0(7) . . ?
Cu06 S1_15 Au03 81.1(2) . . ?
Cu02 S1_15 Au03 80.52(19) . . ?
C2_16 C1_16 C6_16 116.4(11) . . ?
C2_16 C1_16 S1_16 123.2(11) . . ?
C6_16 C1_16 S1_16 120.2(10) . . ?
C1_16 C2_16 C3_16 122.4(14) . . ?
C4_16 C3_16 C2_16 118.6(14) . . ?
C5_16 C4_16 C3_16 120.4(13) . . ?
C5_16 C4_16 Cl2_16 120.0(12) . . ?
C3_16 C4_16 Cl2_16 119.0(12) . . ?
C4_16 C5_16 C6_16 119.6(14) . . ?
C5_16 C6_16 C1_16 121.8(12) . . ?
C5_16 C6_16 Cl1_16 117.9(11) . . ?
C1_16 C6_16 Cl1_16 120.3(11) . . ?
C1_16 S1_16 Cu03 106.4(10) . . ?
C1_16 S1_16 Au12 107.6(5) . . ?
Cu03 S1_16 Au12 70.62(19) . . ?
C2_17 C1_17 C6_17 117.8(12) . . ?
C2_17 C1_17 S1_17 121.8(11) . . ?
C6_17 C1_17 S1_17 120.4(10) . . ?
C1_17 C2_17 C3_17 122.2(14) . . ?
C4_17 C3_17 C2_17 117.6(14) . . ?
C5_17 C4_17 C3_17 121.9(13) . . ?
C5_17 C4_17 Cl2_17 118.4(12) . . ?
C3_17 C4_17 Cl2_17 119.8(12) . . ?
C4_17 C5_17 C6_17 119.9(14) . . ?
C5_17 C6_17 C1_17 120.5(12) . . ?
C5_17 C6_17 Cl1_17 118.4(11) . . ?
C1_17 C6_17 Cl1_17 121.0(10) . . ?
C1_17 S1_17 Cu08 109.6(8) . . ?
C1_17 S1_17 Cu01 118.0(7) . . ?
Cu08 S1_17 Cu01 132.2(3) . . ?
C1_17 S1_17 Au25 106.9(6) . . ?
Cu08 S1_17 Au25 85.9(2) . . ?
Cu01 S1_17 Au25 78.1(2) . . ?
C2_18 C1_18 C6_18 116.7(12) . . ?
C2_18 C1_18 S1_18 121.3(11) . . ?
C6_18 C1_18 S1_18 122.0(11) . . ?
C1_18 C2_18 C3_18 122.5(14) . . ?
C4_18 C3_18 C2_18 118.2(14) . . ?
C5_18 C4_18 C3_18 121.5(13) . . ?
C5_18 C4_18 Cl2_18 120.3(12) . . ?
C3_18 C4_18 Cl2_18 118.0(12) . . ?
C4_18 C5_18 C6_18 119.5(13) . . ?
C5_18 C6_18 C1_18 121.5(12) . . ?
C5_18 C6_18 Cl1_18 116.7(11) . . ?
C1_18 C6_18 Cl1_18 121.7(10) . . ?
C1_18 S1_18 Cu05 106.8(8) . . ?
C1_18 S1_18 Au16 104.4(8) . . ?
Cu05 S1_18 Au16 70.35(19) . . ?
C2_19 C1_19 C6_19 116.6(12) . . ?
C2_19 C1_19 S1_19 123.5(11) . . ?
C6_19 C1_19 S1_19 119.9(11) . . ?
C1_19 C2_19 C3_19 121.1(14) . . ?
C4_19 C3_19 C2_19 119.7(14) . . ?
C5_19 C4_19 C3_19 120.9(13) . . ?
C5_19 C4_19 Cl2_19 119.1(12) . . ?
C3_19 C4_19 Cl2_19 120.0(12) . . ?
C4_19 C5_19 C6_19 119.2(14) . . ?
C5_19 C6_19 C1_19 122.1(13) . . ?
C5_19 C6_19 Cl1_19 118.0(12) . . ?
C1_19 C6_19 Cl1_19 119.6(11) . . ?
C1_19 S1_19 Cu10 110.3(9) . . ?
C1_19 S1_19 Au15 107.6(6) . . ?
Cu10 S1_19 Au15 70.8(2) . . ?
C2_20 C1_20 C6_20 116.7(12) . . ?
C2_20 C1_20 S1_20 122.6(11) . . ?
C6_20 C1_20 S1_20 120.6(11) . . ?
C1_20 C2_20 C3_20 122.9(15) . . ?
C4_20 C3_20 C2_20 117.6(15) . . ?
C5_20 C4_20 C3_20 121.6(13) . . ?
C5_20 C4_20 Cl2_20 119.3(12) . . ?
C3_20 C4_20 Cl2_20 118.8(12) . . ?
C4_20 C5_20 C6_20 119.7(14) . . ?
C5_20 C6_20 C1_20 121.3(13) . . ?
C5_20 C6_20 Cl1_20 118.6(12) . . ?
C1_20 C6_20 Cl1_20 120.1(11) . . ?
C1_20 S1_20 Cu12 114.1(8) . . ?
C1_20 S1_20 Cu04 114.1(8) . . ?
Cu12 S1_20 Cu04 131.8(3) . . ?
C1_20 S1_20 Au08 109.6(7) . . ?
Cu12 S1_20 Au08 84.9(2) . . ?
Cu04 S1_20 Au08 79.6(2) . . ?
C2_21 C1_21 C6_21 116.9(12) . . ?
C2_21 C1_21 S1_21 121.4(10) . . ?
C6_21 C1_21 S1_21 121.7(10) . . ?
C1_21 C2_21 C3_21 122.5(14) . . ?
C4_21 C3_21 C2_21 117.9(14) . . ?
C5_21 C4_21 C3_21 121.5(13) . . ?
C5_21 C4_21 Cl2_21 118.9(11) . . ?
C3_21 C4_21 Cl2_21 118.9(12) . . ?
C4_21 C5_21 C6_21 119.3(13) . . ?
C5_21 C6_21 C1_21 121.2(12) . . ?
C5_21 C6_21 Cl1_21 118.6(11) . . ?
C1_21 C6_21 Cl1_21 120.1(10) . . ?
C1_21 S1_21 Cu07 112.1(8) . . ?
C1_21 S1_21 Cu01 116.4(8) . . ?
Cu07 S1_21 Cu01 131.1(3) . . ?
C1_21 S1_21 Au27 104.8(7) . . ?
Cu07 S1_21 Au27 76.8(2) . . ?
Cu01 S1_21 Au27 84.6(2) . . ?
C2_22 C1_22 C6_22 117.4(12) . . ?
C2_22 C1_22 S1_22 122.7(11) . . ?
C6_22 C1_22 S1_22 120.0(10) . . ?
C1_22 C2_22 C3_22 121.6(14) . . ?
C4_22 C3_22 C2_22 118.4(14) . . ?
C5_22 C4_22 C3_22 121.9(13) . . ?
C5_22 C4_22 Cl2_22 119.2(12) . . ?
C3_22 C4_22 Cl2_22 118.8(11) . . ?
C4_22 C5_22 C6_22 118.8(13) . . ?
C5_22 C6_22 C1_22 121.8(12) . . ?
C5_22 C6_22 Cl1_22 116.8(11) . . ?
C1_22 C6_22 Cl1_22 121.4(11) . . ?
C1_22 S1_22 Cu09 112.6(7) . . ?
C1_22 S1_22 Cu02 117.7(7) . . ?
Cu09 S1_22 Cu02 129.6(3) . . ?
C1_22 S1_22 Au05 109.1(6) . . ?
Cu09 S1_22 Au05 78.4(2) . . ?
Cu02 S1_22 Au05 83.2(2) . . ?
C2_23 C1_23 C6_23 116.3(12) . . ?
C2_23 C1_23 S1_23 122.3(11) . . ?
C6_23 C1_23 S1_23 120.9(10) . . ?
C1_23 C2_23 C3_23 121.6(14) . . ?
C4_23 C3_23 C2_23 119.1(14) . . ?
C5_23 C4_23 C3_23 121.0(13) . . ?
C5_23 C4_23 Cl2_23 120.4(12) . . ?
C3_23 C4_23 Cl2_23 118.6(12) . . ?
C4_23 C5_23 C6_23 119.0(13) . . ?
C5_23 C6_23 C1_23 121.8(12) . . ?
C5_23 C6_23 Cl1_23 117.5(11) . . ?
C1_23 C6_23 Cl1_23 120.1(10) . . ?
C1_23 S1_23 Cu03 112.3(9) . . ?
C1_23 S1_23 Cu05 117.6(9) . . ?
Cu03 S1_23 Cu05 129.4(3) . . ?
C1_23 S1_23 Au24 106.8(6) . . ?
Cu03 S1_23 Au24 77.7(2) . . ?
Cu05 S1_23 Au24 80.2(2) . . ?
C2_25 C1_25 C6_25 120.0 . . ?
C2_25 C1_25 P1_25 119.5(9) . . ?
C6_25 C1_25 P1_25 120.5(9) . . ?
C3_25 C2_25 C1_25 120.0 . . ?
C4_25 C3_25 C2_25 120.0 . . ?
C3_25 C4_25 C5_25 120.0 . . ?
C6_25 C5_25 C4_25 120.0 . . ?
C5_25 C6_25 C1_25 120.0 . . ?
C8_25 C7_25 C12_25 120.0 . . ?
C8_25 C7_25 P1_25 119.3(9) . . ?
C12_25 C7_25 P1_25 120.1(9) . . ?
C7_25 C8_25 C9_25 120.0 . . ?
C8_25 C9_25 C10_25 120.0 . . ?
C11_25 C10_25 C9_25 120.0 . . ?
C12_25 C11_25 C10_25 120.0 . . ?
C11_25 C12_25 C7_25 120.0 . . ?
C14_25 C13_25 C18_25 120.0 . . ?
C14_25 C13_25 P1_25 118.9(10) . . ?
C18_25 C13_25 P1_25 120.9(10) . . ?
C15_25 C14_25 C13_25 120.0 . . ?
C14_25 C15_25 C16_25 120.0 . . ?
C17_25 C16_25 C15_25 120.0 . . ?
C18_25 C17_25 C16_25 120.0 . . ?
C17_25 C18_25 C13_25 120.0 . . ?
C20_25 C19_25 C24_25 120.0 . . ?
C20_25 C19_25 P1_25 118.0(10) . . ?
C24_25 C19_25 P1_25 122.0(10) . . ?
C21_25 C20_25 C19_25 120.0 . . ?
C20_25 C21_25 C22_25 120.0 . . ?
C23_25 C22_25 C21_25 120.0 . . ?
C22_25 C23_25 C24_25 120.0 . . ?
C23_25 C24_25 C19_25 120.0 . . ?
C19_25 P1_25 C7_25 112.7(9) . . ?
C19_25 P1_25 C13_25 106.2(8) . . ?
C7_25 P1_25 C13_25 110.1(8) . . ?
C19_25 P1_25 C1_25 109.6(9) . . ?
C7_25 P1_25 C1_25 107.7(9) . . ?
C13_25 P1_25 C1_25 110.6(9) . . ?
C2_26 C1_26 C6_26 120.0 . . ?
C2_26 C1_26 P1_26 120.4(9) . . ?
C6_26 C1_26 P1_26 119.6(9) . . ?
C3_26 C2_26 C1_26 120.0 . . ?
C2_26 C3_26 C4_26 120.0 . . ?
C5_26 C4_26 C3_26 120.0 . . ?
C6_26 C5_26 C4_26 120.0 . . ?
C5_26 C6_26 C1_26 120.0 . . ?
C8_26 C7_26 C12_26 120.0 . . ?
C8_26 C7_26 P1_26 121.1(8) . . ?
C12_26 C7_26 P1_26 118.7(8) . . ?
C7_26 C8_26 C9_26 120.0 . . ?
C10_26 C9_26 C8_26 120.0 . . ?
C11_26 C10_26 C9_26 120.0 . . ?
C10_26 C11_26 C12_26 120.0 . . ?
C11_26 C12_26 C7_26 120.0 . . ?
C14_26 C13_26 C18_26 120.0 . . ?
C14_26 C13_26 P1_26 119.6(9) . . ?
C18_26 C13_26 P1_26 120.4(9) . . ?
C13_26 C14_26 C15_26 120.0 . . ?
C16_26 C15_26 C14_26 120.0 . . ?
C17_26 C16_26 C15_26 120.0 . . ?
C16_26 C17_26 C18_26 120.0 . . ?
C17_26 C18_26 C13_26 120.0 . . ?
C20_26 C19_26 C24_26 120.0 . . ?
C20_26 C19_26 P1_26 120.1(9) . . ?
C24_26 C19_26 P1_26 119.7(9) . . ?
C21_26 C20_26 C19_26 120.0 . . ?
C22_26 C21_26 C20_26 120.0 . . ?
C21_26 C22_26 C23_26 120.0 . . ?
C24_26 C23_26 C22_26 120.0 . . ?
C23_26 C24_26 C19_26 120.0 . . ?
C13_26 P1_26 C7_26 109.0(8) . . ?
C13_26 P1_26 C19_26 108.2(8) . . ?
C7_26 P1_26 C19_26 108.7(8) . . ?
C13_26 P1_26 C1_26 109.0(8) . . ?
C7_26 P1_26 C1_26 110.4(7) . . ?
C19_26 P1_26 C1_26 111.4(8) . . ?
C2_27 C1_27 C6_27 120.0 . . ?
C2_27 C1_27 P1_27 121.7(9) . . ?
C6_27 C1_27 P1_27 118.2(9) . . ?
C3_27 C2_27 C1_27 120.0 . . ?
C2_27 C3_27 C4_27 120.0 . . ?
C3_27 C4_27 C5_27 120.0 . . ?
C6_27 C5_27 C4_27 120.0 . . ?
C5_27 C6_27 C1_27 120.0 . . ?
C8_27 C7_27 C12_27 120.0 . . ?
C8_27 C7_27 P1_27 121.6(9) . . ?
C12_27 C7_27 P1_27 118.2(9) . . ?
C7_27 C8_27 C9_27 120.0 . . ?
C8_27 C9_27 C10_27 120.0 . . ?
C11_27 C10_27 C9_27 120.0 . . ?
C10_27 C11_27 C12_27 120.0 . . ?
C11_27 C12_27 C7_27 120.0 . . ?
C14_27 C13_27 C18_27 120.0 . . ?
C14_27 C13_27 P1_27 118.5(10) . . ?
C18_27 C13_27 P1_27 121.5(10) . . ?
C15_27 C14_27 C13_27 120.0 . . ?
C14_27 C15_27 C16_27 120.0 . . ?
C15_27 C16_27 C17_27 120.0 . . ?
C18_27 C17_27 C16_27 120.0 . . ?
C17_27 C18_27 C13_27 120.0 . . ?
C20_27 C19_27 C24_27 120.0 . . ?
C20_27 C19_27 P1_27 120.6(10) . . ?
C24_27 C19_27 P1_27 119.4(10) . . ?
C21_27 C20_27 C19_27 120.0 . . ?
C20_27 C21_27 C22_27 120.0 . . ?
C23_27 C22_27 C21_27 120.0 . . ?
C24_27 C23_27 C22_27 120.0 . . ?
C23_27 C24_27 C19_27 120.0 . . ?
C7_27 P1_27 C13_27 108.8(8) . . ?
C7_27 P1_27 C1_27 111.2(8) . . ?
C13_27 P1_27 C1_27 111.7(8) . . ?
C7_27 P1_27 C19_27 109.0(8) . . ?
C13_27 P1_27 C19_27 109.1(9) . . ?
C1_27 P1_27 C19_27 107.0(9) . . ?
C2_24 C1_24 C6_24 117.2(13) . . ?
C2_24 C1_24 S1_24 121.0(12) . . ?
C6_24 C1_24 S1_24 121.8(12) . . ?
C1_24 C2_24 C3_24 121.6(16) . . ?
C4_24 C3_24 C2_24 118.0(16) . . ?
C5_24 C4_24 C3_24 122.1(14) . . ?
C5_24 C4_24 Cl2_24 118.2(13) . . ?
C3_24 C4_24 Cl2_24 119.7(14) . . ?
C4_24 C5_24 C6_24 119.0(15) . . ?
C5_24 C6_24 C1_24 121.3(14) . . ?
C5_24 C6_24 Cl1_24 117.9(12) . . ?
C1_24 C6_24 Cl1_24 120.6(12) . . ?
C1_24 S1_24 Cu06 106.8(10) . . ?
C1_24 S1_24 Au20 108.7(8) . . ?
Cu06 S1_24 Au20 72.6(2) . . ?
C2_28 C1_28 C6_28 120.0 . . ?
C2_28 C1_28 P1_28 120.9(11) . . ?
C6_28 C1_28 P1_28 119.0(11) . . ?
C1_28 C2_28 C3_28 120.0 . . ?
C4_28 C3_28 C2_28 120.0 . . ?
C5_28 C4_28 C3_28 120.0 . . ?
C4_28 C5_28 C6_28 120.0 . . ?
C5_28 C6_28 C1_28 120.0 . . ?
C8_28 C7_28 C12_28 120.0 . . ?
C8_28 C7_28 P1_28 121.6(12) . . ?
C12_28 C7_28 P1_28 118.4(12) . . ?
C7_28 C8_28 C9_28 120.0 . . ?
C10_28 C9_28 C8_28 120.0 . . ?
C9_28 C10_28 C11_28 120.0 . . ?
C12_28 C11_28 C10_28 120.0 . . ?
C11_28 C12_28 C7_28 120.0 . . ?
C14_28 C13_28 C18_28 120.0 . . ?
C14_28 C13_28 P1_28 119.7(14) . . ?
C18_28 C13_28 P1_28 120.3(14) . . ?
C15_28 C14_28 C13_28 120.0 . . ?
C14_28 C15_28 C16_28 120.0 . . ?
C17_28 C16_28 C15_28 120.0 . . ?
C16_28 C17_28 C18_28 120.0 . . ?
C17_28 C18_28 C13_28 120.0 . . ?
C20_28 C19_28 C24_28 120.0 . . ?
C20_28 C19_28 P1_28 119.7(12) . . ?
C24_28 C19_28 P1_28 120.3(12) . . ?
C19_28 C20_28 C21_28 120.0 . . ?
C20_28 C21_28 C22_28 120.0 . . ?
C21_28 C22_28 C23_28 120.0 . . ?
C24_28 C23_28 C22_28 120.0 . . ?
C23_28 C24_28 C19_28 120.0 . . ?
C13_28 P1_28 C7_28 108.1(10) . . ?
C13_28 P1_28 C19_28 107.2(11) . . ?
C7_28 P1_28 C19_28 112.0(10) . . ?
C13_28 P1_28 C1_28 113.8(11) . . ?
C7_28 P1_28 C1_28 107.9(10) . . ?
C19_28 P1_28 C1_28 108.0(10) . . ?

####################################################################### 
# 
# 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_cu_20220110_ND_Cu3_0m_5_sq
_database_code_depnum_ccdc_archive 'CCDC 2351858'
loop_
_audit_author_name
_audit_author_address
'Shisi Tang'
;Nanjing University
China
;
_audit_update_record             
;
2024-04-29 deposited with the CCDC.	2024-06-28 downloaded from the CCDC.
;
_audit_creation_method           
;
FinalCif V88 by Daniel Kratzert, Freiburg 2022,
https://github.com/dkratzert/FinalCif
;
_shelx_SHELXL_version_number     2019/1
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_sum            'C162 H243 Cu28 P3 S18'
_chemical_formula_moiety         ?
_chemical_formula_weight         4639.66
_chemical_melting_point          ?
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'
_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   19.6220(11)
_cell_length_b                   39.5629(18)
_cell_length_c                   26.1094(12)
_cell_angle_alpha                90
_cell_angle_beta                 91.255(3)
_cell_angle_gamma                90
_cell_volume                     20264.0(17)
_cell_formula_units_Z            4
_cell_measurement_temperature    193(2)
_cell_measurement_reflns_used    5228
_cell_measurement_theta_min      3.0585
_cell_measurement_theta_max      68.448
_exptl_crystal_description       block
_exptl_crystal_colour            ?
_exptl_crystal_recrystallization_method ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.521
_exptl_crystal_F_000             9440
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.08
_exptl_absorpt_coefficient_mu    5.310
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.115839
_exptl_absorpt_correction_T_max  0.320075
_exptl_absorpt_process_details   
;
TWINABS - Bruker AXS scaling for twinned crystals - Version 2012/1: Krause, L.,
Herbst-Irmer, R., Sheldrick G.M. & Stalke D., J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_absorpt_special_details   ?
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_special_details           ?
_diffrn_ambient_temperature      193(2)
_diffrn_ambient_environment      N~2~
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_monochromator  'mirror optics'
_olex2_diffrn_ambient_temperature_device 'Oxford Cryostream 800'
_diffrn_radiation_probe          x-ray
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_type              'Incoatec I\ms'
_diffrn_source_voltage           50.0
_diffrn_source_current           1.1
_diffrn_detector                 CPAD
_diffrn_detector_type            'Bruker PHOTON III'
_diffrn_detector_area_resol_mean 7.41
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 VENTURE dual wavelength Mo/Cu'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_measurement_specimen_support 'MiTeGen micromount'
_diffrn_reflns_number            36264
_diffrn_reflns_av_unetI/netI     0.0501
_diffrn_reflns_av_R_equivalents  0.0663
_diffrn_reflns_theta_min         3.059
_diffrn_reflns_theta_max         68.568
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_k_max       47
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_limit_l_max       31
_diffrn_measured_fraction_theta_max 0.936
_diffrn_measured_fraction_theta_full 0.941
_diffrn_reflns_Laue_measured_fraction_max 0.936
_diffrn_reflns_Laue_measured_fraction_full 0.941
_diffrn_reflns_point_group_measured_fraction_max 0.936
_diffrn_reflns_point_group_measured_fraction_full 0.941
_reflns_number_total             36264
_reflns_number_gt                21675
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .
_reflns_special_details          
;
 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. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;
_computing_data_collection       
'Bruker BIS V6.2.15/2021-03-15 && APEX4 2021.4-0'
_computing_cell_refinement       'SAINT V8.40C'
_computing_data_reduction        'SAINT V8.40C'
_computing_structure_solution    'SHELXT 2018/2'
_computing_structure_refinement  'SHELXL-2019/1 (Sheldrick, 2019)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          
;
 Refined as a 2-component twin.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0890P)²+229.7444P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         36264
_refine_ls_number_parameters     1826
_refine_ls_number_restraints     4330
_refine_ls_R_factor_all          0.1626
_refine_ls_R_factor_gt           0.1083
_refine_ls_wR_factor_ref         0.2931
_refine_ls_wR_factor_gt          0.2575
_refine_ls_goodness_of_fit_ref   0.985
_refine_ls_restrained_S_all      0.996
_refine_ls_shift/su_max          0.038
_refine_ls_shift/su_mean         0.001
_refine_diff_density_max         1.300
_refine_diff_density_min         -0.736
_refine_diff_density_rms         0.135
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_twin_special_details            ?
_twin_individual_id              ?
_twin_individual_twin_matrix_11  ?
_twin_individual_twin_matrix_12  ?
_twin_individual_twin_matrix_13  ?
_twin_individual_twin_matrix_21  ?
_twin_individual_twin_matrix_22  ?
_twin_individual_twin_matrix_23  ?
_twin_individual_twin_matrix_31  ?
_twin_individual_twin_matrix_32  ?
_twin_individual_twin_matrix_33  ?

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'
Cu Cu -1.9646 0.5888 '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'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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_
_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
Cu01 Cu 0.70559(12) 0.61684(4) 0.26567(7) 0.0704(5) Uani 1 1 d . . . . .
Cu02 Cu 0.65681(13) 0.60904(5) 0.35818(8) 0.0758(6) Uani 1 1 d . . . . .
Cu03 Cu 0.78570(13) 0.61888(5) 0.34507(8) 0.0760(6) Uani 1 1 d . . . . .
Cu04 Cu 0.76393(14) 0.67223(5) 0.29915(8) 0.0806(7) Uani 1 1 d . . . . .
Cu05 Cu 0.67703(14) 0.67365(5) 0.21824(8) 0.0800(7) Uani 1 1 d . . . . .
Cu06 Cu 0.66539(13) 0.55745(5) 0.28955(8) 0.0760(6) Uani 1 1 d . . . . .
Cu07 Cu 0.62965(13) 0.66265(4) 0.31333(8) 0.0786(6) Uani 1 1 d . . . . .
Cu08 Cu 0.79152(13) 0.56591(5) 0.27516(8) 0.0754(6) Uani 1 1 d . . . . .
Cu09 Cu 0.57526(13) 0.61114(5) 0.28010(8) 0.0778(6) Uani 1 1 d . . . . .
Cu10 Cu 0.70950(14) 0.56721(5) 0.20108(7) 0.0804(7) Uani 1 1 d . . . . .
Cu11 Cu 0.62092(15) 0.62165(5) 0.18876(8) 0.0838(7) Uani 1 1 d . . . . .
Cu12 Cu 0.74894(15) 0.63191(5) 0.17522(8) 0.0842(7) Uani 1 1 d . . . . .
Cu13 Cu 0.83354(14) 0.63032(5) 0.25343(8) 0.0839(7) Uani 1 1 d . . . . .
Cu14 Cu 0.82875(15) 0.55764(6) 0.37038(8) 0.0857(7) Uani 1 1 d . . . . .
Cu15 Cu 0.72578(16) 0.63999(7) 0.43552(9) 0.0965(8) Uani 1 1 d . . . . .
Cu16 Cu 0.70303(17) 0.69880(6) 0.37709(9) 0.0996(9) Uani 1 1 d . . . . .
Cu17 Cu 0.56587(17) 0.70274(7) 0.24846(10) 0.1017(9) Uani 1 1 d . . . . .
Cu18 Cu 0.77627(17) 0.71723(6) 0.22699(10) 0.1054(9) Uani 1 1 d . . . . .
Cu19 Cu 0.49381(18) 0.64552(7) 0.21183(10) 0.1112(10) Uani 1 1 d . . . . .
Cu20 Cu 0.59320(18) 0.56051(6) 0.15446(11) 0.1083(10) Uani 1 1 d . . . . .
Cu21 Cu 0.90287(18) 0.57714(7) 0.22286(10) 0.1053(9) Uani 1 1 d . . . . .
Cu22 Cu 0.6639(2) 0.54373(6) 0.38637(10) 0.1119(11) Uani 1 1 d . . . . .
Cu23 Cu 0.53829(17) 0.54872(7) 0.26136(13) 0.1121(10) Uani 1 1 d . . . . .
Cu24 Cu 0.8032(2) 0.57774(7) 0.13468(11) 0.1153(11) Uani 1 1 d . . . . .
Cu25 Cu 0.86116(18) 0.67183(7) 0.17213(12) 0.1183(10) Uani 1 1 d . . . . .
Cu26 Cu 0.77047(19) 0.56939(8) 0.48045(11) 0.1225(11) Uani 1 1 d . . . . .
Cu27 Cu 0.44171(18) 0.57154(10) 0.17742(11) 0.1291(12) Uani 1 1 d . . . . .
Cu28 Cu 0.6706(2) 0.76036(6) 0.29410(14) 0.1470(14) Uani 1 1 d . . . . .
C1_166 C 0.8418(8) 0.5238(4) 0.5735(7) 0.106(3) Uani 1 1 d D U . . .
C2_166 C 0.9075(9) 0.5303(5) 0.5574(7) 0.115(4) Uani 1 1 d D U . . .
H2_166 H 0.919178 0.550963 0.541337 0.138 Uiso 1 1 calc R U . . .
C3_166 C 0.9542(10) 0.5053(5) 0.5659(8) 0.119(4) Uani 1 1 d D U . . .
H3_166 H 0.998137 0.508296 0.552054 0.143 Uiso 1 1 calc R U . . .
C4_166 C 0.9425(10) 0.4759(5) 0.5933(7) 0.112(4) Uani 1 1 d D U . . .
H4_166 H 0.978095 0.459973 0.599317 0.134 Uiso 1 1 calc R U . . .
C5_166 C 0.8791(10) 0.4703(5) 0.6113(7) 0.109(4) Uani 1 1 d D U . . .
H5_166 H 0.868674 0.450436 0.629913 0.131 Uiso 1 1 calc R U . . .
C6_166 C 0.8300(9) 0.4951(4) 0.6011(7) 0.102(4) Uani 1 1 d D U . . .
H6_166 H 0.785664 0.491779 0.614188 0.122 Uiso 1 1 calc R U . . .
C7_166 C 0.6990(6) 0.5390(4) 0.5857(7) 0.131(4) Uani 1 1 d DG U . . .
C8_166 C 0.6776(8) 0.5429(4) 0.6357(6) 0.152(5) Uani 1 1 d DG U . . .
H8_166 H 0.704820 0.555241 0.659739 0.183 Uiso 1 1 calc R U . . .
C9_166 C 0.6163(9) 0.5287(5) 0.6506(6) 0.166(6) Uani 1 1 d DG U . . .
H9_166 H 0.601643 0.531393 0.684811 0.199 Uiso 1 1 calc R U . . .
C10_166 C 0.5764(6) 0.5107(4) 0.6154(8) 0.163(6) Uani 1 1 d DG U . . .
H10_166 H 0.534545 0.501025 0.625627 0.195 Uiso 1 1 calc R U . . .
C11_166 C 0.5979(8) 0.5068(4) 0.5654(7) 0.161(5) Uani 1 1 d DG U . . .
H11_166 H 0.570624 0.494506 0.541369 0.193 Uiso 1 1 calc R U . . .
C12_166 C 0.6592(8) 0.5210(4) 0.5505(5) 0.147(5) Uani 1 1 d DG U . . .
H12_166 H 0.673802 0.518354 0.516296 0.177 Uiso 1 1 calc R U . . .
C13_166 C 0.8023(8) 0.5886(3) 0.6082(5) 0.120(4) Uani 1 1 d DG U . . .
C14_166 C 0.7761(8) 0.6209(4) 0.6002(5) 0.137(5) Uani 1 1 d DG U . . .
H14_166 H 0.747631 0.625368 0.571103 0.164 Uiso 1 1 calc R U . . .
C15_166 C 0.7917(9) 0.6467(3) 0.6348(6) 0.147(5) Uani 1 1 d DG U . . .
H15_166 H 0.773779 0.668710 0.629265 0.176 Uiso 1 1 calc R U . . .
C16_166 C 0.8333(9) 0.6401(3) 0.6773(6) 0.146(5) Uani 1 1 d DG U . . .
H16_166 H 0.843958 0.657738 0.700957 0.175 Uiso 1 1 calc R U . . .
C17_166 C 0.8595(8) 0.6079(4) 0.6854(5) 0.138(5) Uani 1 1 d DG U . . .
H17_166 H 0.887990 0.603422 0.714487 0.166 Uiso 1 1 calc R U . . .
C18_166 C 0.8440(8) 0.5821(3) 0.6508(5) 0.126(4) Uani 1 1 d DG U . . .
H18_166 H 0.861843 0.560079 0.656325 0.151 Uiso 1 1 calc R U . . .
P1_166 P 0.7778(3) 0.55681(14) 0.56258(19) 0.1045(15) Uani 1 1 d D U . . .
C1_1 C 0.7648(9) 0.8316(5) 0.2996(9) 0.188(5) Uani 1 1 d D U . . .
C2_1 C 0.8122(12) 0.8163(6) 0.2681(10) 0.201(6) Uani 1 1 d D U . . .
H2_1 H 0.798688 0.798726 0.245331 0.241 Uiso 1 1 calc R U . . .
C3_1 C 0.8795(13) 0.8273(7) 0.2705(11) 0.211(7) Uani 1 1 d D U . . .
H3_1 H 0.911574 0.817946 0.247723 0.253 Uiso 1 1 calc R U . . .
C4_1 C 0.9005(14) 0.8515(7) 0.3057(12) 0.211(7) Uani 1 1 d D U . . .
H4_1 H 0.946790 0.858524 0.306914 0.253 Uiso 1 1 calc R U . . .
C5_1 C 0.8547(14) 0.8654(6) 0.3390(11) 0.209(7) Uani 1 1 d D U . . .
H5_1 H 0.869449 0.880380 0.365404 0.251 Uiso 1 1 calc R U . . .
C6_1 C 0.7856(13) 0.8569(5) 0.3326(10) 0.200(6) Uani 1 1 d D U . . .
H6_1 H 0.752517 0.868827 0.351493 0.240 Uiso 1 1 calc R U . . .
C7_1 C 0.6405(15) 0.8359(5) 0.3537(7) 0.196(5) Uani 1 1 d D U . . .
C8_1 C 0.6117(18) 0.8682(5) 0.3513(9) 0.210(6) Uani 1 1 d D U . . .
H8_1 H 0.606146 0.879406 0.319368 0.252 Uiso 1 1 calc R U . . .
C9_1 C 0.591(2) 0.8837(6) 0.3964(10) 0.225(7) Uani 1 1 d D U . . .
H9_1 H 0.582033 0.907288 0.397392 0.270 Uiso 1 1 calc R U . . .
C10_1 C 0.584(2) 0.8637(7) 0.4400(10) 0.234(7) Uani 1 1 d D U . . .
H10_1 H 0.565267 0.873235 0.469983 0.281 Uiso 1 1 calc R U . . .
C11_1 C 0.604(2) 0.8301(7) 0.4402(9) 0.229(7) Uani 1 1 d D U . . .
H11_1 H 0.595053 0.816333 0.469024 0.274 Uiso 1 1 calc R U . . .
C12_1 C 0.6374(19) 0.8164(6) 0.3982(8) 0.211(6) Uani 1 1 d D U . . .
H12_1 H 0.657235 0.794556 0.399903 0.254 Uiso 1 1 calc R U . . .
C13_1 C 0.6365(12) 0.8364(5) 0.2444(7) 0.177(5) Uani 1 1 d D U . . .
C14_1 C 0.5660(12) 0.8323(6) 0.2389(9) 0.192(6) Uani 1 1 d D U . . .
H14_1 H 0.540947 0.821204 0.264641 0.230 Uiso 1 1 calc R U . . .
C15_1 C 0.5330(13) 0.8447(6) 0.1948(9) 0.195(6) Uani 1 1 d D U . . .
H15_1 H 0.487101 0.838472 0.187259 0.234 Uiso 1 1 calc R U . . .
C16_1 C 0.5667(14) 0.8661(6) 0.1621(9) 0.188(6) Uani 1 1 d D U . . .
H16_1 H 0.541874 0.878429 0.136602 0.226 Uiso 1 1 calc R U . . .
C17_1 C 0.6366(14) 0.8696(6) 0.1664(8) 0.187(6) Uani 1 1 d D U . . .
H17_1 H 0.661621 0.879865 0.139892 0.224 Uiso 1 1 calc R U . . .
C18_1 C 0.6696(13) 0.8576(5) 0.2105(8) 0.184(6) Uani 1 1 d D U . . .
H18_1 H 0.715505 0.864073 0.217505 0.221 Uiso 1 1 calc R U . . .
P1_1 P 0.6753(5) 0.81587(11) 0.2981(2) 0.166(3) Uani 1 1 d D U . . .
C1_2 C 0.3512(9) 0.5241(4) 0.0940(5) 0.138(4) Uani 1 1 d DG U . . .
C2_2 C 0.3104(8) 0.4954(4) 0.0921(5) 0.144(5) Uani 1 1 d DG U . . .
H2_2 H 0.274636 0.492781 0.115746 0.172 Uiso 1 1 calc R U . . .
C3_2 C 0.3219(9) 0.4706(4) 0.0557(6) 0.155(5) Uani 1 1 d DG U . . .
H3_2 H 0.294021 0.450954 0.054395 0.186 Uiso 1 1 calc R U . . .
C4_2 C 0.3742(10) 0.4744(4) 0.0211(6) 0.163(6) Uani 1 1 d DG U . . .
H4_2 H 0.382107 0.457458 -0.003777 0.196 Uiso 1 1 calc R U . . .
C5_2 C 0.4150(8) 0.5031(5) 0.0230(6) 0.169(6) Uani 1 1 d DG U . . .
H5_2 H 0.450810 0.505789 -0.000599 0.202 Uiso 1 1 calc R U . . .
C6_2 C 0.4035(8) 0.5280(4) 0.0595(6) 0.159(5) Uani 1 1 d DG U . . .
H6_2 H 0.431427 0.547617 0.060752 0.191 Uiso 1 1 calc R U . . .
C7_2 C 0.2988(9) 0.5909(4) 0.1081(5) 0.148(4) Uani 1 1 d DG U . . .
C8_2 C 0.2896(9) 0.6216(4) 0.1328(5) 0.160(5) Uani 1 1 d DG U . . .
H8_2 H 0.307209 0.624804 0.166641 0.192 Uiso 1 1 calc R U . . .
C9_2 C 0.2545(10) 0.6476(3) 0.1081(6) 0.173(6) Uani 1 1 d DG U . . .
H9_2 H 0.248208 0.668632 0.124969 0.207 Uiso 1 1 calc R U . . .
C10_2 C 0.2287(10) 0.6430(4) 0.0586(7) 0.176(6) Uani 1 1 d DG U . . .
H10_2 H 0.204758 0.660750 0.041648 0.211 Uiso 1 1 calc R U . . .
C11_2 C 0.2379(10) 0.6122(5) 0.0338(5) 0.171(6) Uani 1 1 d DG U . . .
H11_2 H 0.220309 0.609039 -0.000003 0.205 Uiso 1 1 calc R U . . .
C12_2 C 0.2730(10) 0.5862(4) 0.0586(6) 0.162(5) Uani 1 1 d DG U . . .
H12_2 H 0.279310 0.565211 0.041669 0.194 Uiso 1 1 calc R U . . .
C13_2 C 0.2814(7) 0.5415(4) 0.1865(5) 0.138(4) Uani 1 1 d DG U . . .
C14_2 C 0.3023(7) 0.5168(4) 0.2213(6) 0.151(5) Uani 1 1 d DG U . . .
H14_2 H 0.348105 0.509008 0.221625 0.181 Uiso 1 1 calc R U . . .
C15_2 C 0.2563(9) 0.5036(4) 0.2558(5) 0.158(5) Uani 1 1 d DG U . . .
H15_2 H 0.270619 0.486767 0.279569 0.190 Uiso 1 1 calc R U . . .
C16_2 C 0.1893(8) 0.5151(5) 0.2553(6) 0.156(5) Uani 1 1 d DG U . . .
H16_2 H 0.157861 0.506045 0.278865 0.187 Uiso 1 1 calc R U . . .
C17_2 C 0.1684(6) 0.5397(5) 0.2205(6) 0.160(5) Uani 1 1 d DG U . . .
H17_2 H 0.122588 0.547564 0.220217 0.192 Uiso 1 1 calc R U . . .
C18_2 C 0.2144(8) 0.5529(4) 0.1861(5) 0.152(5) Uani 1 1 d DG U . . .
H18_2 H 0.200074 0.569805 0.162272 0.183 Uiso 1 1 calc R U . . .
P1_2 P 0.3429(3) 0.55686(19) 0.14238(19) 0.123(2) Uani 1 1 d D U . . .
S1_3 S 0.5885(3) 0.52321(9) 0.32980(19) 0.1020(15) Uani 1 1 d D U . . .
C1_3 C 0.6048(11) 0.4794(3) 0.3112(7) 0.132(4) Uani 1 1 d D U . . .
H1_3 H 0.568801 0.473478 0.285016 0.159 Uiso 1 1 calc R U . . .
C2_3 C 0.5943(13) 0.4561(3) 0.3557(8) 0.148(5) Uani 1 1 d D U . . .
H2A_3 H 0.548939 0.460092 0.370382 0.178 Uiso 1 1 calc R U . . .
H2B_3 H 0.629413 0.460390 0.382719 0.178 Uiso 1 1 calc R U . . .
C3_3 C 0.5995(13) 0.4185(4) 0.3368(10) 0.164(5) Uani 1 1 d D U . . .
H3A_3 H 0.594438 0.403189 0.366422 0.197 Uiso 1 1 calc R U . . .
H3B_3 H 0.561421 0.413897 0.312263 0.197 Uiso 1 1 calc R U . . .
C4_3 C 0.6650(13) 0.4110(4) 0.3116(10) 0.169(5) Uani 1 1 d D U . . .
H4A_3 H 0.703070 0.412813 0.337002 0.203 Uiso 1 1 calc R U . . .
H4B_3 H 0.664192 0.387658 0.298046 0.203 Uiso 1 1 calc R U . . .
C5_3 C 0.6753(14) 0.4349(4) 0.2699(9) 0.165(5) Uani 1 1 d D U . . .
H5A_3 H 0.640642 0.430684 0.242527 0.198 Uiso 1 1 calc R U . . .
H5B_3 H 0.720749 0.430931 0.255300 0.198 Uiso 1 1 calc R U . . .
C6_3 C 0.6704(12) 0.4725(4) 0.2873(10) 0.155(5) Uani 1 1 d D U . . .
H6A_3 H 0.707952 0.477463 0.312111 0.186 Uiso 1 1 calc R U . . .
H6B_3 H 0.675658 0.487440 0.257295 0.186 Uiso 1 1 calc R U . . .
S1_4 S 0.8984(2) 0.55217(9) 0.30332(15) 0.0811(11) Uani 1 1 d DG U . . .
C1_4 C 0.9178(4) 0.50683(9) 0.3004(2) 0.102(3) Uani 1 1 d DG U . . .
H1_4 H 0.919344 0.497400 0.335895 0.123 Uiso 1 1 calc R U . . .
C2_4 C 0.9875(4) 0.50213(19) 0.2762(5) 0.116(4) Uani 1 1 d DG U . . .
H2A_4 H 1.023261 0.511666 0.299259 0.139 Uiso 1 1 calc R U . . .
H2B_4 H 0.988483 0.514656 0.243375 0.139 Uiso 1 1 calc R U . . .
C3_4 C 1.0028(6) 0.4646(2) 0.2663(6) 0.125(4) Uani 1 1 d DG U . . .
H3A_4 H 1.009490 0.452823 0.299517 0.150 Uiso 1 1 calc R U . . .
H3B_4 H 1.045604 0.462654 0.247160 0.150 Uiso 1 1 calc R U . . .
C4_4 C 0.9446(8) 0.44743(17) 0.2357(5) 0.135(4) Uani 1 1 d DG U . . .
H4A_4 H 0.955222 0.423155 0.231186 0.162 Uiso 1 1 calc R U . . .
H4B_4 H 0.940436 0.457851 0.201259 0.162 Uiso 1 1 calc R U . . .
C5_4 C 0.8763(7) 0.45117(13) 0.2638(6) 0.129(4) Uani 1 1 d DG U . . .
H5A_4 H 0.879873 0.440469 0.298022 0.155 Uiso 1 1 calc R U . . .
H5B_4 H 0.839249 0.439853 0.243978 0.155 Uiso 1 1 calc R U . . .
C6_4 C 0.8602(4) 0.48939(15) 0.2694(5) 0.116(4) Uani 1 1 d DG U . . .
H6A_4 H 0.855770 0.499887 0.235082 0.139 Uiso 1 1 calc R U . . .
H6B_4 H 0.816498 0.492305 0.287072 0.139 Uiso 1 1 calc R U . . .
S1_5 S 0.6963(3) 0.55383(11) 0.11773(15) 0.1099(18) Uani 1 1 d D U . . .
C1_5 C 0.7136(13) 0.5096(3) 0.1055(7) 0.153(4) Uani 1 1 d D U . . .
H1_5 H 0.670325 0.499910 0.090820 0.183 Uiso 1 1 calc R U . . .
C2_5 C 0.7304(16) 0.4893(4) 0.1517(7) 0.171(5) Uani 1 1 d D U . . .
H2A_5 H 0.693534 0.491221 0.176778 0.205 Uiso 1 1 calc R U . . .
H2B_5 H 0.773292 0.497528 0.167987 0.205 Uiso 1 1 calc R U . . .
C3_5 C 0.7387(15) 0.4514(4) 0.1346(9) 0.183(5) Uani 1 1 d D U . . .
H3A_5 H 0.749128 0.437220 0.165000 0.220 Uiso 1 1 calc R U . . .
H3B_5 H 0.695355 0.443289 0.118859 0.220 Uiso 1 1 calc R U . . .
C4_5 C 0.7947(14) 0.4477(5) 0.0968(9) 0.188(6) Uani 1 1 d D U . . .
H4A_5 H 0.838503 0.455217 0.112620 0.226 Uiso 1 1 calc R U . . .
H4B_5 H 0.799342 0.423738 0.086777 0.226 Uiso 1 1 calc R U . . .
C5_5 C 0.7788(16) 0.4683(5) 0.0515(8) 0.186(6) Uani 1 1 d D U . . .
H5A_5 H 0.737873 0.458953 0.033817 0.223 Uiso 1 1 calc R U . . .
H5B_5 H 0.817213 0.466915 0.027645 0.223 Uiso 1 1 calc R U . . .
C6_5 C 0.7658(14) 0.5058(4) 0.0648(8) 0.172(5) Uani 1 1 d D U . . .
H6A_5 H 0.809030 0.516361 0.076683 0.206 Uiso 1 1 calc R U . . .
H6B_5 H 0.749892 0.517890 0.033515 0.206 Uiso 1 1 calc R U . . .
S1_6 S 0.7241(6) 0.69184(15) 0.4602(2) 0.183(4) Uani 1 1 d D U . . .
C1_6 C 0.6609(12) 0.7084(5) 0.5005(7) 0.212(5) Uani 1 1 d D U . . .
H1_6 H 0.614039 0.701035 0.489515 0.255 Uiso 1 1 calc R U . . .
C2_6 C 0.6696(16) 0.7468(5) 0.4968(9) 0.224(6) Uani 1 1 d D U . . .
H2A_6 H 0.665095 0.754577 0.460887 0.269 Uiso 1 1 calc R U . . .
H2B_6 H 0.714362 0.753965 0.511156 0.269 Uiso 1 1 calc R U . . .
C3_6 C 0.6100(16) 0.7604(6) 0.5297(9) 0.237(7) Uani 1 1 d D U . . .
H3A_6 H 0.610023 0.785415 0.528722 0.285 Uiso 1 1 calc R U . . .
H3B_6 H 0.566025 0.752443 0.514840 0.285 Uiso 1 1 calc R U . . .
C4_6 C 0.617(2) 0.7487(6) 0.5846(9) 0.239(7) Uani 1 1 d D U . . .
H4A_6 H 0.658757 0.758241 0.600308 0.287 Uiso 1 1 calc R U . . .
H4B_6 H 0.577436 0.757365 0.604030 0.287 Uiso 1 1 calc R U . . .
C5_6 C 0.6186(17) 0.7112(6) 0.5885(9) 0.235(7) Uani 1 1 d D U . . .
H5A_6 H 0.574820 0.701584 0.575934 0.282 Uiso 1 1 calc R U . . .
H5B_6 H 0.625705 0.704415 0.624708 0.282 Uiso 1 1 calc R U . . .
C6_6 C 0.6785(16) 0.6976(6) 0.5555(7) 0.224(6) Uani 1 1 d D U . . .
H6A_6 H 0.722510 0.707506 0.567052 0.269 Uiso 1 1 calc R U . . .
H6B_6 H 0.681675 0.672648 0.557961 0.269 Uiso 1 1 calc R U . . .
S1_7 S 0.6000(3) 0.71740(9) 0.33363(16) 0.0976(14) Uani 1 1 d D U . . .
C1_7 C 0.5301(8) 0.7235(4) 0.3771(7) 0.122(4) Uani 1 1 d D U . . .
H1_7 H 0.550554 0.729340 0.411399 0.147 Uiso 1 1 calc R U . . .
C2_7 C 0.4917(10) 0.6911(4) 0.3831(9) 0.139(4) Uani 1 1 d D U . . .
H2A_7 H 0.521895 0.673640 0.398377 0.167 Uiso 1 1 calc R U . . .
H2B_7 H 0.475087 0.683004 0.349196 0.167 Uiso 1 1 calc R U . . .
C3_7 C 0.4306(11) 0.6977(5) 0.4183(9) 0.152(5) Uani 1 1 d D U . . .
H3A_7 H 0.402825 0.676937 0.420711 0.183 Uiso 1 1 calc R U . . .
H3B_7 H 0.447845 0.703434 0.453198 0.183 Uiso 1 1 calc R U . . .
C4_7 C 0.3865(10) 0.7264(5) 0.3981(10) 0.155(5) Uani 1 1 d D U . . .
H4A_7 H 0.369479 0.720854 0.363108 0.186 Uiso 1 1 calc R U . . .
H4B_7 H 0.346688 0.729310 0.420308 0.186 Uiso 1 1 calc R U . . .
C5_7 C 0.4264(11) 0.7579(5) 0.3970(9) 0.152(5) Uani 1 1 d D U . . .
H5A_7 H 0.443618 0.763571 0.431899 0.183 Uiso 1 1 calc R U . . .
H5B_7 H 0.397333 0.776815 0.384535 0.183 Uiso 1 1 calc R U . . .
C6_7 C 0.4873(10) 0.7526(4) 0.3604(8) 0.139(4) Uani 1 1 d D U . . .
H6A_7 H 0.469508 0.748531 0.325147 0.167 Uiso 1 1 calc R U . . .
H6B_7 H 0.515549 0.773336 0.359898 0.167 Uiso 1 1 calc R U . . .
S1_8 S 0.6573(3) 0.59175(11) 0.44168(14) 0.0853(12) Uani 1 1 d D U . . .
C1_8 C 0.5734(7) 0.6021(5) 0.4669(7) 0.132(4) Uani 1 1 d D U . . .
H1_8 H 0.555599 0.620687 0.444400 0.159 Uiso 1 1 calc R U . . .
C2_8 C 0.5778(9) 0.6168(6) 0.5180(8) 0.150(5) Uani 1 1 d D U . . .
H2A_8 H 0.605670 0.637668 0.516973 0.180 Uiso 1 1 calc R U . . .
H2B_8 H 0.600923 0.600705 0.541627 0.180 Uiso 1 1 calc R U . . .
C3_8 C 0.5065(11) 0.6254(6) 0.5386(9) 0.163(5) Uani 1 1 d D U . . .
H3A_8 H 0.511265 0.631702 0.575200 0.196 Uiso 1 1 calc R U . . .
H3B_8 H 0.488196 0.645295 0.519816 0.196 Uiso 1 1 calc R U . . .
C4_8 C 0.4570(12) 0.5972(7) 0.5335(9) 0.170(5) Uani 1 1 d D U . . .
H4A_8 H 0.468376 0.580066 0.559922 0.204 Uiso 1 1 calc R U . . .
H4B_8 H 0.410994 0.606045 0.540793 0.204 Uiso 1 1 calc R U . . .
C5_8 C 0.4545(10) 0.5809(7) 0.4845(9) 0.168(5) Uani 1 1 d D U . . .
H5A_8 H 0.426806 0.595090 0.460677 0.202 Uiso 1 1 calc R U . . .
H5B_8 H 0.430552 0.559079 0.488131 0.202 Uiso 1 1 calc R U . . .
C6_8 C 0.5243(10) 0.5742(6) 0.4597(9) 0.154(5) Uani 1 1 d D U . . .
H6A_8 H 0.544221 0.553296 0.474755 0.184 Uiso 1 1 calc R U . . .
H6B_8 H 0.516951 0.570210 0.422594 0.184 Uiso 1 1 calc R U . . .
S1_9 S 0.8235(2) 0.60668(9) 0.42603(13) 0.0784(11) Uani 1 1 d D U . . .
C1_9 C 0.9039(6) 0.6282(4) 0.4424(5) 0.094(3) Uani 1 1 d D U . . .
H1_9 H 0.908566 0.647886 0.418693 0.112 Uiso 1 1 calc R U . . .
C2_9 C 0.9625(7) 0.6052(4) 0.4344(7) 0.104(4) Uani 1 1 d D U . . .
H2A_9 H 0.964278 0.598657 0.397858 0.125 Uiso 1 1 calc R U . . .
H2B_9 H 0.957052 0.584408 0.455030 0.125 Uiso 1 1 calc R U . . .
C3_9 C 1.0295(8) 0.6236(5) 0.4508(7) 0.117(4) Uani 1 1 d D U . . .
H3A_9 H 1.067952 0.607540 0.448484 0.140 Uiso 1 1 calc R U . . .
H3B_9 H 1.037768 0.642301 0.426499 0.140 Uiso 1 1 calc R U . . .
C4_9 C 1.0282(9) 0.6377(5) 0.5041(7) 0.121(4) Uani 1 1 d D U . . .
H4A_9 H 1.026002 0.618955 0.529142 0.145 Uiso 1 1 calc R U . . .
H4B_9 H 1.070464 0.650670 0.511255 0.145 Uiso 1 1 calc R U . . .
C5_9 C 0.9688(8) 0.6598(5) 0.5096(8) 0.120(4) Uani 1 1 d D U . . .
H5A_9 H 0.973865 0.679701 0.486986 0.144 Uiso 1 1 calc R U . . .
H5B_9 H 0.967385 0.668002 0.545344 0.144 Uiso 1 1 calc R U . . .
C6_9 C 0.9007(8) 0.6416(5) 0.4958(6) 0.107(4) Uani 1 1 d D U . . .
H6A_9 H 0.893184 0.622852 0.520103 0.129 Uiso 1 1 calc R U . . .
H6B_9 H 0.862312 0.657731 0.498468 0.129 Uiso 1 1 calc R U . . .
S1_10 S 0.7687(3) 0.72871(9) 0.31846(17) 0.0966(15) Uani 1 1 d D U . . .
C1_10 C 0.8478(8) 0.7443(3) 0.3483(7) 0.115(3) Uani 1 1 d D U . . .
H1_10 H 0.874434 0.756221 0.321505 0.138 Uiso 1 1 calc R U . . .
C2_10 C 0.8900(9) 0.7151(4) 0.3685(8) 0.126(4) Uani 1 1 d D U . . .
H2A_10 H 0.899219 0.699035 0.340484 0.151 Uiso 1 1 calc R U . . .
H2B_10 H 0.865068 0.703047 0.395479 0.151 Uiso 1 1 calc R U . . .
C3_10 C 0.9581(9) 0.7294(5) 0.3909(8) 0.140(5) Uani 1 1 d D U . . .
H3A_10 H 0.986114 0.710525 0.404802 0.169 Uiso 1 1 calc R U . . .
H3B_10 H 0.983867 0.740265 0.363191 0.169 Uiso 1 1 calc R U . . .
C4_10 C 0.9462(11) 0.7547(5) 0.4326(8) 0.144(5) Uani 1 1 d D U . . .
H4A_10 H 0.925734 0.743069 0.462169 0.173 Uiso 1 1 calc R U . . .
H4B_10 H 0.990395 0.764331 0.444217 0.173 Uiso 1 1 calc R U . . .
C5_10 C 0.9008(11) 0.7821(4) 0.4153(9) 0.142(5) Uani 1 1 d D U . . .
H5A_10 H 0.925126 0.796368 0.390464 0.170 Uiso 1 1 calc R U . . .
H5B_10 H 0.889679 0.796458 0.445056 0.170 Uiso 1 1 calc R U . . .
C6_10 C 0.8331(9) 0.7690(4) 0.3897(7) 0.127(4) Uani 1 1 d D U . . .
H6A_10 H 0.804824 0.758058 0.415877 0.152 Uiso 1 1 calc R U . . .
H6B_10 H 0.807121 0.788338 0.375172 0.152 Uiso 1 1 calc R U . . .
S1_11 S 0.5214(4) 0.52734(15) 0.1870(3) 0.140(2) Uani 1 1 d D U . . .
C1_11 C 0.5275(13) 0.4821(3) 0.1759(7) 0.150(4) Uani 1 1 d D U . . .
H1_11 H 0.571856 0.473738 0.190569 0.180 Uiso 1 1 calc R U . . .
C2_11 C 0.5256(15) 0.4755(4) 0.1188(7) 0.160(5) Uani 1 1 d D U . . .
H2A_11 H 0.565317 0.486182 0.102654 0.192 Uiso 1 1 calc R U . . .
H2B_11 H 0.483546 0.485211 0.103138 0.192 Uiso 1 1 calc R U . . .
C3_11 C 0.5271(14) 0.4365(5) 0.1097(9) 0.168(5) Uani 1 1 d D U . . .
H3A_11 H 0.521681 0.431878 0.072605 0.202 Uiso 1 1 calc R U . . .
H3B_11 H 0.571929 0.427516 0.121282 0.202 Uiso 1 1 calc R U . . .
C4_11 C 0.4710(15) 0.4183(5) 0.1382(8) 0.168(5) Uani 1 1 d D U . . .
H4A_11 H 0.426193 0.424925 0.123257 0.201 Uiso 1 1 calc R U . . .
H4B_11 H 0.476311 0.393631 0.133587 0.201 Uiso 1 1 calc R U . . .
C5_11 C 0.4724(16) 0.4261(4) 0.1934(8) 0.168(5) Uani 1 1 d D U . . .
H5A_11 H 0.514446 0.416770 0.209495 0.202 Uiso 1 1 calc R U . . .
H5B_11 H 0.432871 0.415284 0.209742 0.202 Uiso 1 1 calc R U . . .
C6_11 C 0.4698(14) 0.4647(4) 0.2028(9) 0.163(5) Uani 1 1 d D U . . .
H6A_11 H 0.425659 0.473724 0.189937 0.196 Uiso 1 1 calc R U . . .
H6B_11 H 0.473461 0.469246 0.240050 0.196 Uiso 1 1 calc R U . . .
S1_12 S 0.4597(3) 0.69794(15) 0.2177(3) 0.134(2) Uani 1 1 d D U . . .
C1_12 C 0.4403(12) 0.7227(4) 0.1624(7) 0.164(4) Uani 1 1 d D U . . .
H1_12 H 0.476158 0.719576 0.136232 0.197 Uiso 1 1 calc R U . . .
C2_12 C 0.4331(14) 0.7599(4) 0.1759(9) 0.175(5) Uani 1 1 d D U . . .
H2A_12 H 0.475441 0.768442 0.192615 0.210 Uiso 1 1 calc R U . . .
H2B_12 H 0.394810 0.763298 0.199471 0.210 Uiso 1 1 calc R U . . .
C3_12 C 0.4188(14) 0.7788(5) 0.1235(10) 0.185(6) Uani 1 1 d D U . . .
H3A_12 H 0.414295 0.803333 0.129973 0.223 Uiso 1 1 calc R U . . .
H3B_12 H 0.457821 0.775369 0.100700 0.223 Uiso 1 1 calc R U . . .
C4_12 C 0.3547(14) 0.7659(6) 0.0975(11) 0.194(6) Uani 1 1 d D U . . .
H4A_12 H 0.315055 0.771487 0.118754 0.232 Uiso 1 1 calc R U . . .
H4B_12 H 0.348397 0.777353 0.064021 0.232 Uiso 1 1 calc R U . . .
C5_12 C 0.3574(15) 0.7288(6) 0.0894(9) 0.191(6) Uani 1 1 d D U . . .
H5A_12 H 0.393767 0.723346 0.065061 0.229 Uiso 1 1 calc R U . . .
H5B_12 H 0.313464 0.720873 0.074478 0.229 Uiso 1 1 calc R U . . .
C6_12 C 0.3721(9) 0.7101(5) 0.1419(7) 0.180(5) Uani 1 1 d D U . . .
H6A_12 H 0.335803 0.715139 0.166456 0.216 Uiso 1 1 calc R U . . .
H6B_12 H 0.373684 0.685310 0.136482 0.216 Uiso 1 1 calc DR U . . .
S1_13 S 0.8970(4) 0.54642(14) 0.15102(19) 0.124(2) Uani 1 1 d D U . . .
C1_13 C 0.9599(9) 0.5635(6) 0.1068(6) 0.159(4) Uani 1 1 d D U . . .
H1_13 H 0.960175 0.588714 0.108431 0.191 Uiso 1 1 calc R U . . .
C2_13 C 0.9385(11) 0.5520(7) 0.0538(7) 0.176(5) Uani 1 1 d D U . . .
H2A_13 H 0.894350 0.562442 0.043860 0.211 Uiso 1 1 calc R U . . .
H2B_13 H 0.932607 0.527104 0.053458 0.211 Uiso 1 1 calc R U . . .
C3_13 C 0.9937(12) 0.5622(8) 0.0149(7) 0.188(6) Uani 1 1 d D U . . .
H3A_13 H 0.981394 0.553120 -0.019387 0.226 Uiso 1 1 calc R U . . .
H3B_13 H 0.995781 0.587181 0.012327 0.226 Uiso 1 1 calc R U . . .
C4_13 C 1.0623(12) 0.5487(8) 0.0320(8) 0.192(6) Uani 1 1 d D U . . .
H4A_13 H 1.060492 0.523719 0.034588 0.231 Uiso 1 1 calc R U . . .
H4B_13 H 1.097169 0.554756 0.006761 0.231 Uiso 1 1 calc R U . . .
C5_13 C 1.0808(11) 0.5635(7) 0.0830(8) 0.189(6) Uani 1 1 d D U . . .
H5A_13 H 1.078491 0.588500 0.081461 0.227 Uiso 1 1 calc R U . . .
H5B_13 H 1.127783 0.556898 0.093392 0.227 Uiso 1 1 calc R U . . .
C6_13 C 1.0290(10) 0.5498(7) 0.1222(7) 0.179(5) Uani 1 1 d D U . . .
H6A_13 H 1.028506 0.524764 0.121585 0.214 Uiso 1 1 calc R U . . .
H6B_13 H 1.041783 0.557331 0.157220 0.214 Uiso 1 1 calc R U . . .
S1_14 S 0.8236(3) 0.63298(13) 0.11040(18) 0.1112(17) Uani 1 1 d D U . . .
C1_14 C 0.7736(11) 0.6455(4) 0.0534(5) 0.138(4) Uani 1 1 d D U . . .
H1_14 H 0.724119 0.643938 0.061366 0.166 Uiso 1 1 calc R U . . .
C2_14 C 0.7891(14) 0.6199(5) 0.0122(6) 0.157(5) Uani 1 1 d D U . . .
H2A_14 H 0.771753 0.597494 0.022619 0.189 Uiso 1 1 calc R U . . .
H2B_14 H 0.839078 0.618095 0.008700 0.189 Uiso 1 1 calc R U . . .
C3_14 C 0.7564(15) 0.6297(5) -0.0402(7) 0.168(5) Uani 1 1 d D U . . .
H3A_14 H 0.768027 0.612601 -0.066307 0.201 Uiso 1 1 calc R U . . .
H3B_14 H 0.706143 0.630443 -0.037586 0.201 Uiso 1 1 calc R U . . .
C4_14 C 0.7826(16) 0.6638(5) -0.0560(7) 0.172(5) Uani 1 1 d D U . . .
H4A_14 H 0.833002 0.663454 -0.057312 0.207 Uiso 1 1 calc R U . . .
H4B_14 H 0.764155 0.669909 -0.090312 0.207 Uiso 1 1 calc R U . . .
C5_14 C 0.7600(15) 0.6890(5) -0.0170(7) 0.167(5) Uani 1 1 d D U . . .
H5A_14 H 0.709580 0.689135 -0.016327 0.200 Uiso 1 1 calc R U . . .
H5B_14 H 0.775284 0.711797 -0.027198 0.200 Uiso 1 1 calc R U . . .
C6_14 C 0.7890(14) 0.6807(4) 0.0377(7) 0.151(5) Uani 1 1 d D U . . .
H6A_14 H 0.839007 0.684126 0.038343 0.181 Uiso 1 1 calc R U . . .
H6B_14 H 0.769146 0.696612 0.062613 0.181 Uiso 1 1 calc R U . . .
S1_15 S 0.5237(3) 0.60990(10) 0.14370(14) 0.0928(14) Uani 1 1 d D U . . .
C1_15 C 0.5298(10) 0.6301(5) 0.0810(5) 0.129(4) Uani 1 1 d D U . . .
H1_15 H 0.561155 0.649946 0.084916 0.155 Uiso 1 1 calc R U . . .
C2_15 C 0.4607(10) 0.6433(6) 0.0683(6) 0.145(5) Uani 1 1 d D U . . .
H2A_15 H 0.446842 0.659634 0.094856 0.175 Uiso 1 1 calc DR U . . .
H2B_15 H 0.427507 0.624433 0.067816 0.175 Uiso 1 1 calc R U . . .
C3_15 C 0.4600(13) 0.6610(6) 0.0149(6) 0.161(5) Uani 1 1 d D U . . .
H3A_15 H 0.413265 0.668742 0.006071 0.193 Uiso 1 1 calc R U . . .
H3B_15 H 0.490220 0.681075 0.016247 0.193 Uiso 1 1 calc R U . . .
C4_15 C 0.4843(12) 0.6367(6) -0.0256(6) 0.161(5) Uani 1 1 d D U . . .
H4A_15 H 0.454884 0.616386 -0.026725 0.193 Uiso 1 1 calc R U . . .
H4B_15 H 0.482316 0.647644 -0.059717 0.193 Uiso 1 1 calc R U . . .
C5_15 C 0.5554(12) 0.6272(6) -0.0120(6) 0.159(5) Uani 1 1 d D U . . .
H5A_15 H 0.584255 0.647676 -0.009761 0.191 Uiso 1 1 calc R U . . .
H5B_15 H 0.573857 0.612259 -0.038820 0.191 Uiso 1 1 calc R U . . .
C6_15 C 0.5570(13) 0.6082(5) 0.0411(6) 0.149(5) Uani 1 1 d D U . . .
H6A_15 H 0.529313 0.587319 0.038484 0.179 Uiso 1 1 calc R U . . .
H6B_15 H 0.604420 0.601704 0.050296 0.179 Uiso 1 1 calc R U . . .
S1_16 S 0.6605(3) 0.73101(9) 0.21145(15) 0.0938(15) Uani 1 1 d D U . . .
C1_16 C 0.6348(13) 0.7466(4) 0.1490(5) 0.129(4) Uani 1 1 d D U . . .
H1_16 H 0.585747 0.752690 0.153295 0.154 Uiso 1 1 calc R U . . .
C2_16 C 0.6323(14) 0.7194(4) 0.1094(5) 0.141(4) Uani 1 1 d D U . . .
H2A_16 H 0.603876 0.700521 0.121648 0.169 Uiso 1 1 calc R U . . .
H2B_16 H 0.678849 0.710712 0.104107 0.169 Uiso 1 1 calc R U . . .
C3_16 C 0.6020(15) 0.7329(5) 0.0575(6) 0.159(5) Uani 1 1 d D U . . .
H3A_16 H 0.610688 0.715965 0.030516 0.191 Uiso 1 1 calc R U . . .
H3B_16 H 0.552028 0.735129 0.060538 0.191 Uiso 1 1 calc R U . . .
C4_16 C 0.6301(16) 0.7657(5) 0.0415(7) 0.171(5) Uani 1 1 d D U . . .
H4A_16 H 0.603809 0.774055 0.011265 0.205 Uiso 1 1 calc R U . . .
H4B_16 H 0.677987 0.762545 0.031194 0.205 Uiso 1 1 calc R U . . .
C5_16 C 0.6277(15) 0.7912(4) 0.0830(7) 0.165(5) Uani 1 1 d D U . . .
H5A_16 H 0.579521 0.796093 0.090819 0.198 Uiso 1 1 calc R U . . .
H5B_16 H 0.648921 0.812444 0.071239 0.198 Uiso 1 1 calc R U . . .
C6_16 C 0.6659(14) 0.7786(4) 0.1329(7) 0.155(5) Uani 1 1 d D U . . .
H6A_16 H 0.714776 0.775066 0.126093 0.186 Uiso 1 1 calc R U . . .
H6B_16 H 0.662042 0.795663 0.160398 0.186 Uiso 1 1 calc R U . . .
S1_17 S 0.4658(3) 0.59676(11) 0.25833(16) 0.0877(12) Uani 1 1 d D U . . .
C1_17 C 0.4071(8) 0.6032(5) 0.3105(6) 0.119(4) Uani 1 1 d D U . . .
H1_17 H 0.431919 0.615380 0.338883 0.143 Uiso 1 1 calc R U . . .
C2_17 C 0.3838(11) 0.5700(5) 0.3303(8) 0.137(4) Uani 1 1 d D U . . .
H2A_17 H 0.423447 0.557166 0.343930 0.164 Uiso 1 1 calc R U . . .
H2B_17 H 0.362747 0.556816 0.301870 0.164 Uiso 1 1 calc R U . . .
C3_17 C 0.3308(11) 0.5749(6) 0.3735(8) 0.148(5) Uani 1 1 d D U . . .
H3A_17 H 0.313644 0.552487 0.384193 0.177 Uiso 1 1 calc R U . . .
H3B_17 H 0.353600 0.585536 0.403600 0.177 Uiso 1 1 calc R U . . .
C4_17 C 0.2722(10) 0.5964(6) 0.3562(10) 0.150(5) Uani 1 1 d D U . . .
H4A_17 H 0.245299 0.584200 0.329428 0.180 Uiso 1 1 calc R U . . .
H4B_17 H 0.242048 0.600613 0.385410 0.180 Uiso 1 1 calc R U . . .
C5_17 C 0.2957(11) 0.6288(5) 0.3355(9) 0.152(5) Uani 1 1 d D U . . .
H5A_17 H 0.316168 0.642327 0.363787 0.183 Uiso 1 1 calc R U . . .
H5B_17 H 0.255919 0.641434 0.321555 0.183 Uiso 1 1 calc R U . . .
C6_17 C 0.3492(10) 0.6247(6) 0.2925(8) 0.141(5) Uani 1 1 d D U . . .
H6A_17 H 0.327139 0.614244 0.261920 0.169 Uiso 1 1 calc R U . . .
H6B_17 H 0.366424 0.647230 0.282532 0.169 Uiso 1 1 calc R U . . .
S1_18 S 0.9348(3) 0.63279(14) 0.2130(2) 0.1117(16) Uani 1 1 d D U . . .
C1_18 C 0.9891(10) 0.6583(5) 0.2566(8) 0.168(4) Uani 1 1 d D U . . .
H1_18 H 0.960707 0.677966 0.267459 0.201 Uiso 1 1 calc R U . . .
C2_18 C 1.0512(11) 0.6731(6) 0.2318(11) 0.188(6) Uani 1 1 d D U . . .
H2A_18 H 1.073251 0.689900 0.254813 0.226 Uiso 1 1 calc R U . . .
H2B_18 H 1.038032 0.684414 0.199288 0.226 Uiso 1 1 calc R U . . .
C3_18 C 1.1012(14) 0.6432(8) 0.2214(10) 0.200(6) Uani 1 1 d D U . . .
H3A_18 H 1.080240 0.627993 0.195385 0.240 Uiso 1 1 calc R U . . .
H3B_18 H 1.143684 0.652404 0.207016 0.240 Uiso 1 1 calc R U . . .
C4_18 C 1.1189(12) 0.6231(7) 0.2684(12) 0.202(6) Uani 1 1 d D U . . .
H4A_18 H 1.148809 0.603973 0.259365 0.242 Uiso 1 1 calc R U . . .
H4B_18 H 1.143707 0.637554 0.293511 0.242 Uiso 1 1 calc R U . . .
C5_18 C 1.0562(14) 0.6103(6) 0.2910(12) 0.195(6) Uani 1 1 d D U . . .
H5A_18 H 1.068004 0.597939 0.322898 0.234 Uiso 1 1 calc R U . . .
H5B_18 H 1.034235 0.594082 0.266877 0.234 Uiso 1 1 calc R U . . .
C6_18 C 1.0047(12) 0.6388(7) 0.3033(8) 0.185(6) Uani 1 1 d D U . . .
H6A_18 H 0.962286 0.628758 0.316441 0.222 Uiso 1 1 calc R U . . .
H6B_18 H 1.024343 0.653826 0.330011 0.222 Uiso 1 1 calc R U . . .
S1_19 S 0.8692(5) 0.72737(15) 0.1864(4) 0.174(3) Uani 1 1 d D U . . .
C1_19 C 0.8522(13) 0.7526(5) 0.1298(8) 0.202(5) Uani 1 1 d D U . . .
H1_19 H 0.812440 0.743329 0.109710 0.242 Uiso 1 1 calc R U . . .
C2_19 C 0.8396(17) 0.7893(5) 0.1452(9) 0.213(6) Uani 1 1 d D U . . .
H2A_19 H 0.879244 0.797589 0.165706 0.256 Uiso 1 1 calc R U . . .
H2B_19 H 0.799069 0.790369 0.167018 0.256 Uiso 1 1 calc R U . . .
C3_19 C 0.8282(17) 0.8131(6) 0.0978(11) 0.221(6) Uani 1 1 d D U . . .
H3A_19 H 0.782683 0.808531 0.082196 0.266 Uiso 1 1 calc R U . . .
H3B_19 H 0.828939 0.836909 0.109450 0.266 Uiso 1 1 calc R U . . .
C4_19 C 0.8808(18) 0.8082(6) 0.0587(11) 0.223(7) Uani 1 1 d D U . . .
H4A_19 H 0.864717 0.818958 0.026384 0.267 Uiso 1 1 calc R U . . .
H4B_19 H 0.922790 0.820202 0.070164 0.267 Uiso 1 1 calc R U . . .
C5_19 C 0.8983(17) 0.7727(7) 0.0480(9) 0.222(6) Uani 1 1 d D U . . .
H5A_19 H 0.937847 0.772041 0.025132 0.267 Uiso 1 1 calc R U . . .
H5B_19 H 0.859354 0.761766 0.029814 0.267 Uiso 1 1 calc R U . . .
C6_19 C 0.9161(14) 0.7520(6) 0.0985(10) 0.216(6) Uani 1 1 d D U . . .
H6A_19 H 0.928796 0.728465 0.089978 0.259 Uiso 1 1 calc R U . . .
H6B_19 H 0.954506 0.762652 0.117636 0.259 Uiso 1 1 calc R U . . .
S1_20 S 0.7618(3) 0.52544(11) 0.41992(18) 0.1048(15) Uani 1 1 d D U . . .
C1_20 C 0.7806(8) 0.4805(3) 0.4247(6) 0.104(3) Uani 1 1 d D U . . .
H1_20 H 0.773935 0.470134 0.390062 0.125 Uiso 1 1 calc R U . . .
C2_20 C 0.7341(9) 0.4632(3) 0.4611(7) 0.112(4) Uani 1 1 d D U . . .
H2A_20 H 0.686303 0.465956 0.448867 0.134 Uiso 1 1 calc R U . . .
H2B_20 H 0.738548 0.473996 0.495257 0.134 Uiso 1 1 calc R U . . .
C3_20 C 0.7507(9) 0.4253(4) 0.4660(8) 0.121(4) Uani 1 1 d D U . . .
H3A_20 H 0.723301 0.415559 0.493837 0.145 Uiso 1 1 calc R U . . .
H3B_20 H 0.736837 0.413809 0.433748 0.145 Uiso 1 1 calc R U . . .
C4_20 C 0.8228(10) 0.4182(4) 0.4768(8) 0.125(4) Uani 1 1 d D U . . .
H4A_20 H 0.831269 0.393746 0.471593 0.150 Uiso 1 1 calc R U . . .
H4B_20 H 0.833333 0.423396 0.513239 0.150 Uiso 1 1 calc R U . . .
C5_20 C 0.8695(9) 0.4379(4) 0.4440(8) 0.122(4) Uani 1 1 d D U . . .
H5A_20 H 0.867301 0.428455 0.408907 0.147 Uiso 1 1 calc R U . . .
H5B_20 H 0.916782 0.434953 0.457324 0.147 Uiso 1 1 calc R U . . .
C6_20 C 0.8535(8) 0.4759(4) 0.4412(8) 0.112(4) Uani 1 1 d D U . . .
H6A_20 H 0.861553 0.486386 0.475258 0.134 Uiso 1 1 calc R U . . .
H6B_20 H 0.883739 0.486981 0.416470 0.134 Uiso 1 1 calc R U . . .


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
Cu01 Cu06 2.560(3) . ?
Cu01 Cu03 2.575(3) . ?
Cu01 Cu11 2.585(3) . ?
Cu01 Cu10 2.590(3) . ?
Cu01 Cu13 2.593(4) . ?
Cu01 Cu12 2.597(3) . ?
Cu01 Cu09 2.603(4) . ?
Cu01 Cu04 2.614(3) . ?
Cu01 Cu05 2.621(3) . ?
Cu01 Cu08 2.635(3) . ?
Cu01 Cu02 2.636(3) . ?
Cu01 Cu07 2.671(3) . ?
Cu02 S1_8 2.285(4) . ?
Cu02 Cu07 2.475(3) . ?
Cu02 Cu09 2.565(3) . ?
Cu02 Cu03 2.589(4) . ?
Cu02 Cu22 2.689(3) . ?
Cu02 Cu15 2.700(3) . ?
Cu02 Cu06 2.724(3) . ?
Cu03 S1_9 2.277(4) . ?
Cu03 Cu04 2.460(3) . ?
Cu03 Cu13 2.628(3) . ?
Cu03 Cu14 2.645(3) . ?
Cu03 Cu08 2.783(3) . ?
Cu03 Cu15 2.789(4) . ?
Cu04 S1_10 2.292(4) . ?
Cu04 Cu13 2.472(3) . ?
Cu04 Cu16 2.604(4) . ?
Cu04 Cu18 2.607(3) . ?
Cu04 Cu05 2.686(3) . ?
Cu04 Cu07 2.696(4) . ?
Cu05 S1_16 2.299(4) . ?
Cu05 Cu11 2.450(3) . ?
Cu05 Cu12 2.460(3) . ?
Cu05 Cu17 2.604(4) . ?
Cu05 Cu18 2.607(4) . ?
Cu05 Cu07 2.705(3) . ?
Cu06 S1_3 2.299(5) . ?
Cu06 Cu10 2.514(3) . ?
Cu06 Cu08 2.534(4) . ?
Cu06 Cu22 2.586(3) . ?
Cu06 Cu23 2.608(4) . ?
Cu06 Cu09 2.772(3) . ?
Cu07 S1_7 2.308(4) . ?
Cu07 Cu09 2.450(3) . ?
Cu07 Cu16 2.605(3) . ?
Cu07 Cu17 2.619(3) . ?
Cu08 S1_4 2.273(5) . ?
Cu08 Cu10 2.489(3) . ?
Cu08 Cu14 2.597(3) . ?
Cu08 Cu21 2.639(4) . ?
Cu08 Cu13 2.741(3) . ?
Cu09 S1_17 2.283(5) . ?
Cu09 Cu11 2.599(3) . ?
Cu09 Cu23 2.617(3) . ?
Cu09 Cu19 2.731(4) . ?
Cu10 S1_5 2.249(4) . ?
Cu10 Cu20 2.576(4) . ?
Cu10 Cu24 2.588(4) . ?
Cu10 Cu12 2.763(3) . ?
Cu10 Cu11 2.782(3) . ?
Cu11 S1_15 2.268(5) . ?
Cu11 Cu12 2.577(4) . ?
Cu11 Cu20 2.632(3) . ?
Cu11 Cu19 2.746(4) . ?
Cu12 S1_14 2.263(6) . ?
Cu12 Cu13 2.604(3) . ?
Cu12 Cu24 2.626(4) . ?
Cu12 Cu25 2.712(4) . ?
Cu13 S1_18 2.273(7) . ?
Cu13 Cu21 2.638(4) . ?
Cu13 Cu25 2.747(4) . ?
Cu14 S1_4 2.255(5) . ?
Cu14 S1_20 2.258(6) . ?
Cu14 S1_9 2.428(4) . ?
Cu15 S1_6 2.151(6) . ?
Cu15 S1_8 2.341(5) . ?
Cu15 S1_9 2.344(5) . ?
Cu15 Cu16 2.813(4) . ?
Cu16 S1_6 2.217(6) . ?
Cu16 S1_10 2.343(6) . ?
Cu16 S1_7 2.412(6) . ?
Cu17 S1_12 2.223(7) . ?
Cu17 S1_7 2.380(5) . ?
Cu17 S1_16 2.389(7) . ?
Cu17 Cu19 2.825(4) . ?
Cu18 S1_19 2.167(8) . ?
Cu18 S1_16 2.363(6) . ?
Cu18 S1_10 2.439(5) . ?
Cu18 Cu25 2.856(5) . ?
Cu19 S1_12 2.185(6) . ?
Cu19 S1_17 2.351(6) . ?
Cu19 S1_15 2.354(5) . ?
Cu20 S1_11 2.116(8) . ?
Cu20 S1_5 2.273(7) . ?
Cu20 S1_15 2.396(5) . ?
Cu20 Cu23 3.050(5) . ?
Cu21 S1_13 2.236(6) . ?
Cu21 S1_18 2.305(6) . ?
Cu21 S1_4 2.325(4) . ?
Cu21 Cu24 2.988(5) . ?
Cu22 S1_20 2.215(7) . ?
Cu22 S1_3 2.222(7) . ?
Cu22 S1_8 2.391(5) . ?
Cu23 S1_11 2.138(7) . ?
Cu23 S1_3 2.259(7) . ?
Cu23 S1_17 2.375(6) . ?
Cu23 Cu27 3.005(5) . ?
Cu24 S1_13 2.252(7) . ?
Cu24 S1_14 2.313(5) . ?
Cu24 S1_5 2.334(8) . ?
Cu25 S1_19 2.234(7) . ?
Cu25 S1_14 2.335(6) . ?
Cu25 S1_18 2.355(6) . ?
Cu26 P1_166 2.203(5) . ?
Cu26 S1_9 2.311(5) . ?
Cu26 S1_20 2.353(6) . ?
Cu26 S1_8 2.577(6) . ?
Cu27 P1_2 2.203(6) . ?
Cu27 S1_11 2.355(8) . ?
Cu27 S1_17 2.374(5) . ?
Cu27 S1_15 2.393(6) . ?
Cu28 P1_1 2.200(5) . ?
Cu28 S1_10 2.372(6) . ?
Cu28 S1_7 2.436(6) . ?
Cu28 S1_16 2.455(5) . ?
C1_166 C6_166 1.368(15) . ?
C1_166 C2_166 1.388(15) . ?
C1_166 P1_166 1.831(14) . ?
C2_166 C3_166 1.362(16) . ?
C3_166 C4_166 1.389(16) . ?
C4_166 C5_166 1.356(16) . ?
C5_166 C6_166 1.396(15) . ?
C7_166 C8_166 1.3900 . ?
C7_166 C12_166 1.3900 . ?
C7_166 P1_166 1.813(11) . ?
C8_166 C9_166 1.3900 . ?
C9_166 C10_166 1.3900 . ?
C10_166 C11_166 1.3900 . ?
C11_166 C12_166 1.3900 . ?
C13_166 C14_166 1.3900 . ?
C13_166 C18_166 1.3900 . ?
C13_166 P1_166 1.793(10) . ?
C14_166 C15_166 1.3900 . ?
C15_166 C16_166 1.3900 . ?
C16_166 C17_166 1.3900 . ?
C17_166 C18_166 1.3900 . ?
C1_1 C6_1 1.378(16) . ?
C1_1 C2_1 1.391(17) . ?
C1_1 P1_1 1.863(16) . ?
C2_1 C3_1 1.391(17) . ?
C3_1 C4_1 1.383(17) . ?
C4_1 C5_1 1.379(17) . ?
C5_1 C6_1 1.402(17) . ?
C7_1 C8_1 1.397(15) . ?
C7_1 C12_1 1.397(15) . ?
C7_1 P1_1 1.801(14) . ?
C8_1 C9_1 1.396(15) . ?
C9_1 C10_1 1.396(16) . ?
C10_1 C11_1 1.384(16) . ?
C11_1 C12_1 1.398(16) . ?
C13_1 C18_1 1.391(15) . ?
C13_1 C14_1 1.398(15) . ?
C13_1 P1_1 1.778(14) . ?
C14_1 C15_1 1.399(15) . ?
C15_1 C16_1 1.381(16) . ?
C16_1 C17_1 1.380(16) . ?
C17_1 C18_1 1.389(15) . ?
C1_2 C2_2 1.3900 . ?
C1_2 C6_2 1.3900 . ?
C1_2 P1_2 1.818(10) . ?
C2_2 C3_2 1.3900 . ?
C3_2 C4_2 1.3900 . ?
C4_2 C5_2 1.3900 . ?
C5_2 C6_2 1.3900 . ?
C7_2 C8_2 1.3900 . ?
C7_2 C12_2 1.3900 . ?
C7_2 P1_2 1.825(12) . ?
C8_2 C9_2 1.3900 . ?
C9_2 C10_2 1.3900 . ?
C10_2 C11_2 1.3900 . ?
C11_2 C12_2 1.3900 . ?
C13_2 C14_2 1.3900 . ?
C13_2 C18_2 1.3900 . ?
C13_2 P1_2 1.793(10) . ?
C14_2 C15_2 1.3900 . ?
C15_2 C16_2 1.3900 . ?
C16_2 C17_2 1.3900 . ?
C17_2 C18_2 1.3900 . ?
S1_3 C1_3 1.830(11) . ?
C1_3 C6_3 1.469(14) . ?
C1_3 C2_3 1.502(14) . ?
C2_3 C3_3 1.569(14) . ?
C3_3 C4_3 1.486(15) . ?
C4_3 C5_3 1.460(15) . ?
C5_3 C6_3 1.558(14) . ?
S1_4 C1_4 1.8356 . ?
C1_4 C2_4 1.5303 . ?
C1_4 C6_4 1.5371 . ?
C2_4 C3_4 1.5379 . ?
C3_4 C4_4 1.5380 . ?
C4_4 C5_4 1.5502 . ?
C5_4 C6_4 1.5521 . ?
S1_5 C1_5 1.813(12) . ?
C1_5 C2_5 1.480(14) . ?
C1_5 C6_5 1.500(15) . ?
C2_5 C3_5 1.574(14) . ?
C3_5 C4_5 1.499(15) . ?
C4_5 C5_5 1.463(15) . ?
C5_5 C6_5 1.546(14) . ?
S1_6 C1_6 1.769(14) . ?
C1_6 C2_6 1.530(15) . ?
C1_6 C6_6 1.531(15) . ?
C2_6 C3_6 1.561(15) . ?
C3_6 C4_6 1.509(15) . ?
C4_6 C5_6 1.487(15) . ?
C5_6 C6_6 1.569(15) . ?
S1_7 C1_7 1.815(12) . ?
C1_7 C6_7 1.486(14) . ?
C1_7 C2_7 1.496(14) . ?
C2_7 C3_7 1.549(14) . ?
C3_7 C4_7 1.513(15) . ?
C4_7 C5_7 1.475(15) . ?
C5_7 C6_7 1.561(14) . ?
S1_8 C1_8 1.833(12) . ?
C1_8 C2_8 1.456(14) . ?
C1_8 C6_8 1.475(14) . ?
C2_8 C3_8 1.548(14) . ?
C3_8 C4_8 1.483(15) . ?
C4_8 C5_8 1.433(14) . ?
C5_8 C6_8 1.551(14) . ?
S1_9 C1_9 1.835(11) . ?
C1_9 C2_9 1.486(13) . ?
C1_9 C6_9 1.495(13) . ?
C2_9 C3_9 1.555(14) . ?
C3_9 C4_9 1.500(14) . ?
C4_9 C5_9 1.466(14) . ?
C5_9 C6_9 1.552(14) . ?
S1_10 C1_10 1.829(12) . ?
C1_10 C6_10 1.489(14) . ?
C1_10 C2_10 1.510(13) . ?
C2_10 C3_10 1.553(14) . ?
C3_10 C4_10 1.501(14) . ?
C4_10 C5_10 1.469(14) . ?
C5_10 C6_10 1.563(14) . ?
S1_11 C1_11 1.818(12) . ?
C1_11 C6_11 1.512(15) . ?
C1_11 C2_11 1.513(14) . ?
C2_11 C3_11 1.560(14) . ?
C3_11 C4_11 1.522(15) . ?
C4_11 C5_11 1.474(15) . ?
C5_11 C6_11 1.544(14) . ?
S1_12 C1_12 1.778(13) . ?
C1_12 C6_12 1.514(15) . ?
C1_12 C2_12 1.522(15) . ?
C2_12 C3_12 1.579(15) . ?
C3_12 C4_12 1.505(15) . ?
C4_12 C5_12 1.485(15) . ?
C5_12 C6_12 1.578(15) . ?
S1_13 C1_13 1.837(13) . ?
C1_13 C6_13 1.507(15) . ?
C1_13 C2_13 1.507(14) . ?
C2_13 C3_13 1.554(15) . ?
C3_13 C4_13 1.509(15) . ?
C4_13 C5_13 1.493(15) . ?
C5_13 C6_13 1.555(15) . ?
S1_14 C1_14 1.833(13) . ?
C1_14 C6_14 1.487(14) . ?
C1_14 C2_14 1.511(14) . ?
C2_14 C3_14 1.548(14) . ?
C3_14 C4_14 1.505(15) . ?
C4_14 C5_14 1.496(15) . ?
C5_14 C6_14 1.561(14) . ?
S1_15 C1_15 1.828(12) . ?
C1_15 C6_15 1.465(14) . ?
C1_15 C2_15 1.485(14) . ?
C2_15 C3_15 1.560(14) . ?
C3_15 C4_15 1.514(15) . ?
C4_15 C5_15 1.482(15) . ?
C5_15 C6_15 1.576(14) . ?
S1_16 C1_16 1.804(11) . ?
C1_16 C6_16 1.468(14) . ?
C1_16 C2_16 1.493(13) . ?
C2_16 C3_16 1.560(14) . ?
C3_16 C4_16 1.475(15) . ?
C4_16 C5_16 1.483(14) . ?
C5_16 C6_16 1.571(14) . ?
S1_17 C1_17 1.821(12) . ?
C1_17 C6_17 1.487(14) . ?
C1_17 C2_17 1.487(14) . ?
C2_17 C3_17 1.562(14) . ?
C3_17 C4_17 1.493(15) . ?
C4_17 C5_17 1.470(15) . ?
C5_17 C6_17 1.562(14) . ?
S1_18 C1_18 1.844(14) . ?
C1_18 C6_18 1.469(14) . ?
C1_18 C2_18 1.509(14) . ?
C2_18 C3_18 1.564(15) . ?
C3_18 C4_18 1.496(15) . ?
C4_18 C5_18 1.466(15) . ?
C5_18 C6_18 1.551(15) . ?
S1_19 C1_19 1.806(14) . ?
C1_19 C6_19 1.512(15) . ?
C1_19 C2_19 1.530(15) . ?
C2_19 C3_19 1.566(15) . ?
C3_19 C4_19 1.481(15) . ?
C4_19 C5_19 1.476(15) . ?
C5_19 C6_19 1.584(15) . ?
S1_20 C1_20 1.819(11) . ?
C1_20 C6_20 1.496(14) . ?
C1_20 C2_20 1.498(13) . ?
C2_20 C3_20 1.541(13) . ?
C3_20 C4_20 1.465(14) . ?
C4_20 C5_20 1.489(14) . ?
C5_20 C6_20 1.537(13) . ?

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
Cu06 Cu01 Cu03 91.07(9) . . ?
Cu06 Cu01 Cu11 93.47(10) . . ?
Cu03 Cu01 Cu11 173.48(10) . . ?
Cu06 Cu01 Cu10 58.43(8) . . ?
Cu03 Cu01 Cu10 121.44(10) . . ?
Cu11 Cu01 Cu10 65.03(9) . . ?
Cu06 Cu01 Cu13 121.54(11) . . ?
Cu03 Cu01 Cu13 61.13(9) . . ?
Cu11 Cu01 Cu13 119.78(11) . . ?
Cu10 Cu01 Cu13 91.90(10) . . ?
Cu06 Cu01 Cu12 122.76(9) . . ?
Cu03 Cu01 Cu12 121.23(12) . . ?
Cu11 Cu01 Cu12 59.64(10) . . ?
Cu10 Cu01 Cu12 64.36(8) . . ?
Cu13 Cu01 Cu12 60.23(9) . . ?
Cu06 Cu01 Cu09 64.93(9) . . ?
Cu03 Cu01 Cu09 118.06(10) . . ?
Cu11 Cu01 Cu09 60.14(9) . . ?
Cu10 Cu01 Cu09 94.12(10) . . ?
Cu13 Cu01 Cu09 173.01(10) . . ?
Cu12 Cu01 Cu09 119.61(11) . . ?
Cu06 Cu01 Cu04 145.39(10) . . ?
Cu03 Cu01 Cu04 56.59(8) . . ?
Cu11 Cu01 Cu04 117.86(9) . . ?
Cu10 Cu01 Cu04 146.53(13) . . ?
Cu13 Cu01 Cu04 56.68(9) . . ?
Cu12 Cu01 Cu04 87.81(9) . . ?
Cu09 Cu01 Cu04 116.65(10) . . ?
Cu06 Cu01 Cu05 146.97(12) . . ?
Cu03 Cu01 Cu05 118.28(9) . . ?
Cu11 Cu01 Cu05 56.14(8) . . ?
Cu10 Cu01 Cu05 110.59(9) . . ?
Cu13 Cu01 Cu05 87.88(10) . . ?
Cu12 Cu01 Cu05 56.25(8) . . ?
Cu09 Cu01 Cu05 86.68(10) . . ?
Cu04 Cu01 Cu05 61.74(7) . . ?
Cu06 Cu01 Cu08 58.35(8) . . ?
Cu03 Cu01 Cu08 64.56(8) . . ?
Cu11 Cu01 Cu08 121.89(9) . . ?
Cu10 Cu01 Cu08 56.89(8) . . ?
Cu13 Cu01 Cu08 63.23(9) . . ?
Cu12 Cu01 Cu08 92.26(10) . . ?
Cu09 Cu01 Cu08 123.28(10) . . ?
Cu04 Cu01 Cu08 109.56(11) . . ?
Cu05 Cu01 Cu08 146.08(12) . . ?
Cu06 Cu01 Cu02 63.21(8) . . ?
Cu03 Cu01 Cu02 59.57(9) . . ?
Cu11 Cu01 Cu02 118.71(12) . . ?
Cu10 Cu01 Cu02 121.63(10) . . ?
Cu13 Cu01 Cu02 120.59(10) . . ?
Cu12 Cu01 Cu02 173.21(10) . . ?
Cu09 Cu01 Cu02 58.63(8) . . ?
Cu04 Cu01 Cu02 87.52(9) . . ?
Cu05 Cu01 Cu02 117.07(10) . . ?
Cu08 Cu01 Cu02 93.94(9) . . ?
Cu06 Cu01 Cu07 109.35(10) . . ?
Cu03 Cu01 Cu07 86.59(9) . . ?
Cu11 Cu01 Cu07 87.50(10) . . ?
Cu10 Cu01 Cu07 147.39(13) . . ?
Cu13 Cu01 Cu07 117.98(10) . . ?
Cu12 Cu01 Cu07 117.71(9) . . ?
Cu09 Cu01 Cu07 55.35(8) . . ?
Cu04 Cu01 Cu07 61.31(9) . . ?
Cu05 Cu01 Cu07 61.48(8) . . ?
Cu08 Cu01 Cu07 146.84(10) . . ?
Cu02 Cu01 Cu07 55.60(7) . . ?
S1_8 Cu02 Cu07 134.78(15) . . ?
S1_8 Cu02 Cu09 139.26(19) . . ?
Cu07 Cu02 Cu09 58.14(8) . . ?
S1_8 Cu02 Cu03 100.80(16) . . ?
Cu07 Cu02 Cu03 90.53(10) . . ?
Cu09 Cu02 Cu03 118.96(12) . . ?
S1_8 Cu02 Cu01 156.27(17) . . ?
Cu07 Cu02 Cu01 62.93(8) . . ?
Cu09 Cu02 Cu01 60.04(9) . . ?
Cu03 Cu02 Cu01 59.06(8) . . ?
S1_8 Cu02 Cu22 56.78(12) . . ?
Cu07 Cu02 Cu22 164.17(12) . . ?
Cu09 Cu02 Cu22 106.04(12) . . ?
Cu03 Cu02 Cu22 97.80(12) . . ?
Cu01 Cu02 Cu22 110.21(10) . . ?
S1_8 Cu02 Cu15 55.28(14) . . ?
Cu07 Cu02 Cu15 93.69(10) . . ?
Cu09 Cu02 Cu15 150.86(12) . . ?
Cu03 Cu02 Cu15 63.61(10) . . ?
Cu01 Cu02 Cu15 116.50(12) . . ?
Cu22 Cu02 Cu15 102.06(11) . . ?
S1_8 Cu02 Cu06 113.85(14) . . ?
Cu07 Cu02 Cu06 110.29(9) . . ?
Cu09 Cu02 Cu06 63.12(9) . . ?
Cu03 Cu02 Cu06 87.20(10) . . ?
Cu01 Cu02 Cu06 57.03(7) . . ?
Cu22 Cu02 Cu06 57.08(8) . . ?
Cu15 Cu02 Cu06 142.63(12) . . ?
S1_9 Cu03 Cu04 133.16(14) . . ?
S1_9 Cu03 Cu01 157.13(16) . . ?
Cu04 Cu03 Cu01 62.51(8) . . ?
S1_9 Cu03 Cu02 98.30(15) . . ?
Cu04 Cu03 Cu02 91.94(11) . . ?
Cu01 Cu03 Cu02 61.38(9) . . ?
S1_9 Cu03 Cu13 140.02(18) . . ?
Cu04 Cu03 Cu13 58.02(9) . . ?
Cu01 Cu03 Cu13 59.77(9) . . ?
Cu02 Cu03 Cu13 121.04(11) . . ?
S1_9 Cu03 Cu14 58.53(11) . . ?
Cu04 Cu03 Cu14 163.48(13) . . ?
Cu01 Cu03 Cu14 110.99(10) . . ?
Cu02 Cu03 Cu14 97.86(11) . . ?
Cu13 Cu03 Cu14 105.46(11) . . ?
S1_9 Cu03 Cu08 115.59(13) . . ?
Cu04 Cu03 Cu08 109.61(9) . . ?
Cu01 Cu03 Cu08 58.77(7) . . ?
Cu02 Cu03 Cu08 91.59(10) . . ?
Cu13 Cu03 Cu08 60.79(8) . . ?
Cu14 Cu03 Cu08 57.08(7) . . ?
S1_9 Cu03 Cu15 53.98(13) . . ?
Cu04 Cu03 Cu15 94.81(11) . . ?
Cu01 Cu03 Cu15 115.46(12) . . ?
Cu02 Cu03 Cu15 60.13(9) . . ?
Cu13 Cu03 Cu15 152.24(11) . . ?
Cu14 Cu03 Cu15 101.59(10) . . ?
Cu08 Cu03 Cu15 143.60(12) . . ?
S1_10 Cu04 Cu03 136.34(14) . . ?
S1_10 Cu04 Cu13 137.7(2) . . ?
Cu03 Cu04 Cu13 64.40(9) . . ?
S1_10 Cu04 Cu16 56.76(16) . . ?
Cu03 Cu04 Cu16 92.48(11) . . ?
Cu13 Cu04 Cu16 156.34(12) . . ?
S1_10 Cu04 Cu18 59.29(14) . . ?
Cu03 Cu04 Cu18 156.94(15) . . ?
Cu13 Cu04 Cu18 92.76(12) . . ?
Cu16 Cu04 Cu18 109.91(11) . . ?
S1_10 Cu04 Cu01 154.99(18) . . ?
Cu03 Cu04 Cu01 60.91(8) . . ?
Cu13 Cu04 Cu01 61.23(9) . . ?
Cu16 Cu04 Cu01 113.24(13) . . ?
Cu18 Cu04 Cu01 112.19(10) . . ?
S1_10 Cu04 Cu05 100.06(14) . . ?
Cu03 Cu04 Cu05 120.11(11) . . ?
Cu13 Cu04 Cu05 88.98(10) . . ?
Cu16 Cu04 Cu05 108.17(13) . . ?
Cu18 Cu04 Cu05 58.99(9) . . ?
Cu01 Cu04 Cu05 59.25(8) . . ?
S1_10 Cu04 Cu07 98.17(18) . . ?
Cu03 Cu04 Cu07 88.41(11) . . ?
Cu13 Cu04 Cu07 121.60(11) . . ?
Cu16 Cu04 Cu07 58.85(10) . . ?
Cu18 Cu04 Cu07 107.56(12) . . ?
Cu01 Cu04 Cu07 60.38(8) . . ?
Cu05 Cu04 Cu07 60.35(9) . . ?
S1_16 Cu05 Cu11 137.99(17) . . ?
S1_16 Cu05 Cu12 135.16(19) . . ?
Cu11 Cu05 Cu12 63.32(10) . . ?
S1_16 Cu05 Cu17 57.94(17) . . ?
Cu11 Cu05 Cu17 95.32(13) . . ?
Cu12 Cu05 Cu17 158.11(14) . . ?
S1_16 Cu05 Cu18 57.18(16) . . ?
Cu11 Cu05 Cu18 155.87(15) . . ?
Cu12 Cu05 Cu18 92.82(13) . . ?
Cu17 Cu05 Cu18 108.08(12) . . ?
S1_16 Cu05 Cu01 155.72(13) . . ?
Cu11 Cu05 Cu01 61.19(8) . . ?
Cu12 Cu05 Cu01 61.39(8) . . ?
Cu17 Cu05 Cu01 114.06(12) . . ?
Cu18 Cu05 Cu01 111.98(12) . . ?
S1_16 Cu05 Cu04 99.65(13) . . ?
Cu11 Cu05 Cu04 120.18(10) . . ?
Cu12 Cu05 Cu04 89.11(12) . . ?
Cu17 Cu05 Cu04 107.01(11) . . ?
Cu18 Cu05 Cu04 59.00(9) . . ?
Cu01 Cu05 Cu04 59.01(8) . . ?
S1_16 Cu05 Cu07 100.30(15) . . ?
Cu11 Cu05 Cu07 89.55(10) . . ?
Cu12 Cu05 Cu07 121.55(10) . . ?
Cu17 Cu05 Cu07 59.07(9) . . ?
Cu18 Cu05 Cu07 107.28(10) . . ?
Cu01 Cu05 Cu07 60.18(7) . . ?
Cu04 Cu05 Cu07 59.99(9) . . ?
S1_3 Cu06 Cu10 138.86(17) . . ?
S1_3 Cu06 Cu08 143.01(18) . . ?
Cu10 Cu06 Cu08 59.10(9) . . ?
S1_3 Cu06 Cu01 149.42(15) . . ?
Cu10 Cu06 Cu01 61.39(8) . . ?
Cu08 Cu06 Cu01 62.31(8) . . ?
S1_3 Cu06 Cu22 53.71(17) . . ?
Cu10 Cu06 Cu22 160.33(15) . . ?
Cu08 Cu06 Cu22 101.80(13) . . ?
Cu01 Cu06 Cu22 116.15(11) . . ?
S1_3 Cu06 Cu23 54.39(18) . . ?
Cu10 Cu06 Cu23 96.17(12) . . ?
Cu08 Cu06 Cu23 155.08(13) . . ?
Cu01 Cu06 Cu23 110.53(12) . . ?
Cu22 Cu06 Cu23 102.53(13) . . ?
S1_3 Cu06 Cu02 95.17(14) . . ?
Cu10 Cu06 Cu02 121.12(9) . . ?
Cu08 Cu06 Cu02 94.20(10) . . ?
Cu01 Cu06 Cu02 59.75(7) . . ?
Cu22 Cu06 Cu02 60.79(8) . . ?
Cu23 Cu06 Cu02 102.26(11) . . ?
S1_3 Cu06 Cu09 93.91(16) . . ?
Cu10 Cu06 Cu09 91.86(9) . . ?
Cu08 Cu06 Cu09 120.60(10) . . ?
Cu01 Cu06 Cu09 58.28(8) . . ?
Cu22 Cu06 Cu09 103.12(11) . . ?
Cu23 Cu06 Cu09 58.13(9) . . ?
Cu02 Cu06 Cu09 55.64(7) . . ?
S1_7 Cu07 Cu09 138.75(19) . . ?
S1_7 Cu07 Cu02 138.46(15) . . ?
Cu09 Cu07 Cu02 62.77(8) . . ?
S1_7 Cu07 Cu16 58.44(15) . . ?
Cu09 Cu07 Cu16 155.97(11) . . ?
Cu02 Cu07 Cu16 93.32(10) . . ?
S1_7 Cu07 Cu17 57.36(13) . . ?
Cu09 Cu07 Cu17 94.38(11) . . ?
Cu02 Cu07 Cu17 156.90(13) . . ?
Cu16 Cu07 Cu17 109.30(10) . . ?
S1_7 Cu07 Cu01 152.88(17) . . ?
Cu09 Cu07 Cu01 60.91(9) . . ?
Cu02 Cu07 Cu01 61.48(8) . . ?
Cu16 Cu07 Cu01 111.36(12) . . ?
Cu17 Cu07 Cu01 111.91(10) . . ?
S1_7 Cu07 Cu04 98.73(16) . . ?
Cu09 Cu07 Cu04 119.20(11) . . ?
Cu02 Cu07 Cu04 89.11(10) . . ?
Cu16 Cu07 Cu04 58.82(10) . . ?
Cu17 Cu07 Cu04 106.31(11) . . ?
Cu01 Cu07 Cu04 58.30(8) . . ?
S1_7 Cu07 Cu05 98.81(14) . . ?
Cu09 Cu07 Cu05 87.97(9) . . ?
Cu02 Cu07 Cu05 119.82(10) . . ?
Cu16 Cu07 Cu05 107.57(12) . . ?
Cu17 Cu07 Cu05 58.53(10) . . ?
Cu01 Cu07 Cu05 58.35(7) . . ?
Cu04 Cu07 Cu05 59.65(8) . . ?
S1_4 Cu08 Cu10 146.36(16) . . ?
S1_4 Cu08 Cu06 144.86(14) . . ?
Cu10 Cu08 Cu06 60.06(10) . . ?
S1_4 Cu08 Cu14 54.68(13) . . ?
Cu10 Cu08 Cu14 155.51(15) . . ?
Cu06 Cu08 Cu14 95.55(11) . . ?
S1_4 Cu08 Cu01 142.85(14) . . ?
Cu10 Cu08 Cu01 60.64(8) . . ?
Cu06 Cu08 Cu01 59.33(8) . . ?
Cu14 Cu08 Cu01 110.63(10) . . ?
S1_4 Cu08 Cu21 55.90(13) . . ?
Cu10 Cu08 Cu21 97.07(12) . . ?
Cu06 Cu08 Cu21 157.12(12) . . ?
Cu14 Cu08 Cu21 107.33(13) . . ?
Cu01 Cu08 Cu21 110.97(10) . . ?
S1_4 Cu08 Cu13 90.55(14) . . ?
Cu10 Cu08 Cu13 90.71(10) . . ?
Cu06 Cu08 Cu13 116.92(11) . . ?
Cu14 Cu08 Cu13 103.63(10) . . ?
Cu01 Cu08 Cu13 57.63(8) . . ?
Cu21 Cu08 Cu13 58.69(9) . . ?
S1_4 Cu08 Cu03 91.07(13) . . ?
Cu10 Cu08 Cu03 117.31(11) . . ?
Cu06 Cu08 Cu03 87.02(10) . . ?
Cu14 Cu08 Cu03 58.78(8) . . ?
Cu01 Cu08 Cu03 56.67(7) . . ?
Cu21 Cu08 Cu03 105.00(11) . . ?
Cu13 Cu08 Cu03 56.81(8) . . ?
S1_17 Cu09 Cu07 134.10(16) . . ?
S1_17 Cu09 Cu02 139.22(17) . . ?
Cu07 Cu09 Cu02 59.09(8) . . ?
S1_17 Cu09 Cu11 98.79(14) . . ?
Cu07 Cu09 Cu11 92.04(10) . . ?
Cu02 Cu09 Cu11 120.85(14) . . ?
S1_17 Cu09 Cu01 155.22(15) . . ?
Cu07 Cu09 Cu01 63.74(9) . . ?
Cu02 Cu09 Cu01 61.32(9) . . ?
Cu11 Cu09 Cu01 59.59(9) . . ?
S1_17 Cu09 Cu23 57.50(14) . . ?
Cu07 Cu09 Cu23 165.42(14) . . ?
Cu02 Cu09 Cu23 106.47(12) . . ?
Cu11 Cu09 Cu23 94.53(11) . . ?
Cu01 Cu09 Cu23 108.89(12) . . ?
S1_17 Cu09 Cu19 55.06(15) . . ?
Cu07 Cu09 Cu19 93.50(11) . . ?
Cu02 Cu09 Cu19 151.75(12) . . ?
Cu11 Cu09 Cu19 61.96(10) . . ?
Cu01 Cu09 Cu19 115.16(12) . . ?
Cu23 Cu09 Cu19 101.08(12) . . ?
S1_17 Cu09 Cu06 115.24(15) . . ?
Cu07 Cu09 Cu06 109.50(11) . . ?
Cu02 Cu09 Cu06 61.23(9) . . ?
Cu11 Cu09 Cu06 88.40(10) . . ?
Cu01 Cu09 Cu06 56.79(8) . . ?
Cu23 Cu09 Cu06 57.79(10) . . ?
Cu19 Cu09 Cu06 143.42(11) . . ?
S1_5 Cu10 Cu08 143.7(2) . . ?
S1_5 Cu10 Cu06 144.9(2) . . ?
Cu08 Cu10 Cu06 60.84(9) . . ?
S1_5 Cu10 Cu20 55.72(19) . . ?
Cu08 Cu10 Cu20 156.33(15) . . ?
Cu06 Cu10 Cu20 95.69(13) . . ?
S1_5 Cu10 Cu24 57.2(2) . . ?
Cu08 Cu10 Cu24 93.85(14) . . ?
Cu06 Cu10 Cu24 154.69(15) . . ?
Cu20 Cu10 Cu24 109.56(13) . . ?
S1_5 Cu10 Cu01 143.49(15) . . ?
Cu08 Cu10 Cu01 62.47(8) . . ?
Cu06 Cu10 Cu01 60.18(7) . . ?
Cu20 Cu10 Cu01 110.31(13) . . ?
Cu24 Cu10 Cu01 110.22(12) . . ?
S1_5 Cu10 Cu12 90.48(15) . . ?
Cu08 Cu10 Cu12 91.68(10) . . ?
Cu06 Cu10 Cu12 118.09(9) . . ?
Cu20 Cu10 Cu12 103.29(11) . . ?
Cu24 Cu10 Cu12 58.67(9) . . ?
Cu01 Cu10 Cu12 57.94(7) . . ?
S1_5 Cu10 Cu11 90.68(15) . . ?
Cu08 Cu10 Cu11 119.83(10) . . ?
Cu06 Cu10 Cu11 89.91(10) . . ?
Cu20 Cu10 Cu11 58.69(9) . . ?
Cu24 Cu10 Cu11 104.42(11) . . ?
Cu01 Cu10 Cu11 57.39(8) . . ?
Cu12 Cu10 Cu11 55.39(9) . . ?
S1_15 Cu11 Cu05 134.62(16) . . ?
S1_15 Cu11 Cu12 140.60(17) . . ?
Cu05 Cu11 Cu12 58.53(10) . . ?
S1_15 Cu11 Cu01 155.11(16) . . ?
Cu05 Cu11 Cu01 62.68(8) . . ?
Cu12 Cu11 Cu01 60.41(9) . . ?
S1_15 Cu11 Cu09 98.07(16) . . ?
Cu05 Cu11 Cu09 90.43(10) . . ?
Cu12 Cu11 Cu09 120.52(11) . . ?
Cu01 Cu11 Cu09 60.27(9) . . ?
S1_15 Cu11 Cu20 57.99(13) . . ?
Cu05 Cu11 Cu20 165.22(16) . . ?
Cu12 Cu11 Cu20 107.03(13) . . ?
Cu01 Cu11 Cu20 108.73(10) . . ?
Cu09 Cu11 Cu20 95.31(11) . . ?
S1_15 Cu11 Cu19 55.00(14) . . ?
Cu05 Cu11 Cu19 92.65(12) . . ?
Cu12 Cu11 Cu19 150.31(12) . . ?
Cu01 Cu11 Cu19 115.23(11) . . ?
Cu09 Cu11 Cu19 61.37(10) . . ?
Cu20 Cu11 Cu19 102.06(14) . . ?
S1_15 Cu11 Cu10 114.70(14) . . ?
Cu05 Cu11 Cu10 109.79(12) . . ?
Cu12 Cu11 Cu10 61.92(9) . . ?
Cu01 Cu11 Cu10 57.58(8) . . ?
Cu09 Cu11 Cu10 89.83(10) . . ?
Cu20 Cu11 Cu10 56.75(9) . . ?
Cu19 Cu11 Cu10 144.00(13) . . ?
S1_14 Cu12 Cu05 135.76(17) . . ?
S1_14 Cu12 Cu11 139.0(2) . . ?
Cu05 Cu12 Cu11 58.15(10) . . ?
S1_14 Cu12 Cu01 156.15(19) . . ?
Cu05 Cu12 Cu01 62.37(8) . . ?
Cu11 Cu12 Cu01 59.95(9) . . ?
S1_14 Cu12 Cu13 100.1(2) . . ?
Cu05 Cu12 Cu13 91.16(11) . . ?
Cu11 Cu12 Cu13 119.68(12) . . ?
Cu01 Cu12 Cu13 59.81(9) . . ?
S1_14 Cu12 Cu24 55.88(15) . . ?
Cu05 Cu12 Cu24 166.83(15) . . ?
Cu11 Cu12 Cu24 109.37(13) . . ?
Cu01 Cu12 Cu24 108.83(10) . . ?
Cu13 Cu12 Cu24 92.25(13) . . ?
S1_14 Cu12 Cu25 55.07(18) . . ?
Cu05 Cu12 Cu25 95.56(12) . . ?
Cu11 Cu12 Cu25 152.92(13) . . ?
Cu01 Cu12 Cu25 116.30(12) . . ?
Cu13 Cu12 Cu25 62.19(11) . . ?
Cu24 Cu12 Cu25 97.28(14) . . ?
S1_14 Cu12 Cu10 112.93(16) . . ?
Cu05 Cu12 Cu10 110.11(12) . . ?
Cu11 Cu12 Cu10 62.69(9) . . ?
Cu01 Cu12 Cu10 57.71(7) . . ?
Cu13 Cu12 Cu10 87.88(9) . . ?
Cu24 Cu12 Cu10 57.35(10) . . ?
Cu25 Cu12 Cu10 141.15(13) . . ?
S1_18 Cu13 Cu04 133.89(19) . . ?
S1_18 Cu13 Cu01 157.65(19) . . ?
Cu04 Cu13 Cu01 62.09(10) . . ?
S1_18 Cu13 Cu12 100.58(18) . . ?
Cu04 Cu13 Cu12 90.74(12) . . ?
Cu01 Cu13 Cu12 59.96(10) . . ?
S1_18 Cu13 Cu03 139.78(19) . . ?
Cu04 Cu13 Cu03 57.57(9) . . ?
Cu01 Cu13 Cu03 59.10(9) . . ?
Cu12 Cu13 Cu03 118.93(14) . . ?
S1_18 Cu13 Cu21 55.38(17) . . ?
Cu04 Cu13 Cu21 167.14(12) . . ?
Cu01 Cu13 Cu21 112.35(12) . . ?
Cu12 Cu13 Cu21 96.09(11) . . ?
Cu03 Cu13 Cu21 109.57(10) . . ?
S1_18 Cu13 Cu08 113.97(18) . . ?
Cu04 Cu13 Cu08 110.59(12) . . ?
Cu01 Cu13 Cu08 59.13(8) . . ?
Cu12 Cu13 Cu08 89.73(10) . . ?
Cu03 Cu13 Cu08 62.40(8) . . ?
Cu21 Cu13 Cu08 58.73(9) . . ?
S1_18 Cu13 Cu25 54.98(16) . . ?
Cu04 Cu13 Cu25 95.31(11) . . ?
Cu01 Cu13 Cu25 115.21(12) . . ?
Cu12 Cu13 Cu25 60.84(10) . . ?
Cu03 Cu13 Cu25 152.46(13) . . ?
Cu21 Cu13 Cu25 97.53(12) . . ?
Cu08 Cu13 Cu25 141.34(12) . . ?
S1_4 Cu14 S1_20 139.56(19) . . ?
S1_4 Cu14 S1_9 125.17(18) . . ?
S1_20 Cu14 S1_9 94.29(18) . . ?
S1_4 Cu14 Cu08 55.33(13) . . ?
S1_20 Cu14 Cu08 117.68(18) . . ?
S1_9 Cu14 Cu08 117.23(13) . . ?
S1_4 Cu14 Cu03 95.14(13) . . ?
S1_20 Cu14 Cu03 118.24(19) . . ?
S1_9 Cu14 Cu03 53.12(10) . . ?
Cu08 Cu14 Cu03 64.13(8) . . ?
S1_6 Cu15 S1_8 138.1(3) . . ?
S1_6 Cu15 S1_9 125.9(3) . . ?
S1_8 Cu15 S1_9 91.19(18) . . ?
S1_6 Cu15 Cu02 130.2(2) . . ?
S1_8 Cu15 Cu02 53.32(12) . . ?
S1_9 Cu15 Cu02 93.65(13) . . ?
S1_6 Cu15 Cu03 123.3(2) . . ?
S1_8 Cu15 Cu03 93.86(13) . . ?
S1_9 Cu15 Cu03 51.78(11) . . ?
Cu02 Cu15 Cu03 56.26(9) . . ?
S1_6 Cu15 Cu16 50.96(17) . . ?
S1_8 Cu15 Cu16 128.83(17) . . ?
S1_9 Cu15 Cu16 121.90(17) . . ?
Cu02 Cu15 Cu16 84.17(9) . . ?
Cu03 Cu15 Cu16 81.56(10) . . ?
S1_6 Cu16 S1_10 127.5(3) . . ?
S1_6 Cu16 S1_7 129.4(3) . . ?
S1_10 Cu16 S1_7 90.34(19) . . ?
S1_6 Cu16 Cu04 129.5(3) . . ?
S1_10 Cu16 Cu04 54.89(13) . . ?
S1_7 Cu16 Cu04 98.62(14) . . ?
S1_6 Cu16 Cu07 130.2(2) . . ?
S1_10 Cu16 Cu07 99.43(13) . . ?
S1_7 Cu16 Cu07 54.61(11) . . ?
Cu04 Cu16 Cu07 62.33(9) . . ?
S1_6 Cu16 Cu15 48.88(16) . . ?
S1_10 Cu16 Cu15 133.56(19) . . ?
S1_7 Cu16 Cu15 128.98(17) . . ?
Cu04 Cu16 Cu15 91.13(11) . . ?
Cu07 Cu16 Cu15 88.36(10) . . ?
S1_12 Cu17 S1_7 126.9(3) . . ?
S1_12 Cu17 S1_16 128.6(2) . . ?
S1_7 Cu17 S1_16 93.36(19) . . ?
S1_12 Cu17 Cu05 129.6(2) . . ?
S1_7 Cu17 Cu05 99.82(16) . . ?
S1_16 Cu17 Cu05 54.62(13) . . ?
S1_12 Cu17 Cu07 127.8(2) . . ?
S1_7 Cu17 Cu07 54.73(11) . . ?
S1_16 Cu17 Cu07 100.41(16) . . ?
Cu05 Cu17 Cu07 62.40(9) . . ?
S1_12 Cu17 Cu19 49.56(18) . . ?
S1_7 Cu17 Cu19 129.81(17) . . ?
S1_16 Cu17 Cu19 128.74(16) . . ?
Cu05 Cu17 Cu19 87.69(11) . . ?
Cu07 Cu17 Cu19 87.84(11) . . ?
S1_19 Cu18 S1_16 133.6(3) . . ?
S1_19 Cu18 S1_10 121.0(3) . . ?
S1_16 Cu18 S1_10 92.65(19) . . ?
S1_19 Cu18 Cu05 135.6(3) . . ?
S1_16 Cu18 Cu05 54.83(12) . . ?
S1_10 Cu18 Cu05 98.48(16) . . ?
S1_19 Cu18 Cu04 124.9(3) . . ?
S1_16 Cu18 Cu04 100.22(16) . . ?
S1_10 Cu18 Cu04 53.90(11) . . ?
Cu05 Cu18 Cu04 62.01(8) . . ?
S1_19 Cu18 Cu25 50.56(19) . . ?
S1_16 Cu18 Cu25 128.91(16) . . ?
S1_10 Cu18 Cu25 131.06(17) . . ?
Cu05 Cu18 Cu25 89.02(11) . . ?
Cu04 Cu18 Cu25 89.85(11) . . ?
S1_12 Cu19 S1_17 131.8(3) . . ?
S1_12 Cu19 S1_15 134.7(3) . . ?
S1_17 Cu19 S1_15 87.94(17) . . ?
S1_12 Cu19 Cu09 127.0(2) . . ?
S1_17 Cu19 Cu09 52.74(14) . . ?
S1_15 Cu19 Cu09 92.48(15) . . ?
S1_12 Cu19 Cu11 128.5(2) . . ?
S1_17 Cu19 Cu11 93.16(16) . . ?
S1_15 Cu19 Cu11 52.11(15) . . ?
Cu09 Cu19 Cu11 56.67(9) . . ?
S1_12 Cu19 Cu17 50.75(19) . . ?
S1_17 Cu19 Cu17 127.15(15) . . ?
S1_15 Cu19 Cu17 127.2(2) . . ?
Cu09 Cu19 Cu17 84.07(11) . . ?
Cu11 Cu19 Cu17 84.24(13) . . ?
S1_11 Cu20 S1_5 134.7(3) . . ?
S1_11 Cu20 S1_15 99.8(3) . . ?
S1_5 Cu20 S1_15 123.7(2) . . ?
S1_11 Cu20 Cu10 117.7(2) . . ?
S1_5 Cu20 Cu10 54.83(14) . . ?
S1_15 Cu20 Cu10 117.87(15) . . ?
S1_11 Cu20 Cu11 124.6(2) . . ?
S1_5 Cu20 Cu11 94.08(17) . . ?
S1_15 Cu20 Cu11 53.36(13) . . ?
Cu10 Cu20 Cu11 64.56(9) . . ?
S1_11 Cu20 Cu23 44.49(19) . . ?
S1_5 Cu20 Cu23 134.73(16) . . ?
S1_15 Cu20 Cu23 91.17(17) . . ?
Cu10 Cu20 Cu23 84.85(11) . . ?
Cu11 Cu20 Cu23 84.47(11) . . ?
S1_13 Cu21 S1_18 115.8(2) . . ?
S1_13 Cu21 S1_4 121.6(2) . . ?
S1_18 Cu21 S1_4 121.5(2) . . ?
S1_13 Cu21 Cu13 132.0(2) . . ?
S1_18 Cu21 Cu13 54.24(17) . . ?
S1_4 Cu21 Cu13 92.03(14) . . ?
S1_13 Cu21 Cu08 108.3(2) . . ?
S1_18 Cu21 Cu08 116.68(19) . . ?
S1_4 Cu21 Cu08 54.05(14) . . ?
Cu13 Cu21 Cu08 62.59(10) . . ?
S1_13 Cu21 Cu24 48.48(18) . . ?
S1_18 Cu21 Cu24 94.67(18) . . ?
S1_4 Cu21 Cu24 131.49(19) . . ?
Cu13 Cu21 Cu24 83.89(12) . . ?
Cu08 Cu21 Cu24 82.22(13) . . ?
S1_20 Cu22 S1_3 134.7(2) . . ?
S1_20 Cu22 S1_8 94.5(2) . . ?
S1_3 Cu22 S1_8 130.4(2) . . ?
S1_20 Cu22 Cu06 115.3(2) . . ?
S1_3 Cu22 Cu06 56.52(13) . . ?
S1_8 Cu22 Cu06 115.18(14) . . ?
S1_20 Cu22 Cu02 117.48(19) . . ?
S1_3 Cu22 Cu02 98.01(15) . . ?
S1_8 Cu22 Cu02 53.05(12) . . ?
Cu06 Cu22 Cu02 62.14(8) . . ?
S1_11 Cu23 S1_3 126.7(2) . . ?
S1_11 Cu23 S1_17 101.9(3) . . ?
S1_3 Cu23 S1_17 129.37(19) . . ?
S1_11 Cu23 Cu06 115.9(3) . . ?
S1_3 Cu23 Cu06 55.83(15) . . ?
S1_17 Cu23 Cu06 118.17(15) . . ?
S1_11 Cu23 Cu09 125.4(2) . . ?
S1_3 Cu23 Cu09 99.17(16) . . ?
S1_17 Cu23 Cu09 54.15(13) . . ?
Cu06 Cu23 Cu09 64.07(10) . . ?
S1_11 Cu23 Cu27 51.2(2) . . ?
S1_3 Cu23 Cu27 165.5(2) . . ?
S1_17 Cu23 Cu27 50.74(13) . . ?
Cu06 Cu23 Cu27 138.60(15) . . ?
Cu09 Cu23 Cu27 91.18(13) . . ?
S1_11 Cu23 Cu20 43.9(2) . . ?
S1_3 Cu23 Cu20 129.46(19) . . ?
S1_17 Cu23 Cu20 94.04(16) . . ?
Cu06 Cu23 Cu20 83.29(12) . . ?
Cu09 Cu23 Cu20 85.69(11) . . ?
Cu27 Cu23 Cu20 61.07(11) . . ?
S1_13 Cu24 S1_14 115.2(3) . . ?
S1_13 Cu24 S1_5 122.7(2) . . ?
S1_14 Cu24 S1_5 119.4(2) . . ?
S1_13 Cu24 Cu10 111.96(17) . . ?
S1_14 Cu24 Cu10 117.76(19) . . ?
S1_5 Cu24 Cu10 54.08(14) . . ?
S1_13 Cu24 Cu12 135.2(2) . . ?
S1_14 Cu24 Cu12 54.10(16) . . ?
S1_5 Cu24 Cu12 92.11(17) . . ?
Cu10 Cu24 Cu12 63.98(10) . . ?
S1_13 Cu24 Cu21 48.02(16) . . ?
S1_14 Cu24 Cu21 96.0(2) . . ?
S1_5 Cu24 Cu21 135.48(17) . . ?
Cu10 Cu24 Cu21 86.86(11) . . ?
Cu12 Cu24 Cu21 87.72(12) . . ?
S1_19 Cu25 S1_14 141.5(3) . . ?
S1_19 Cu25 S1_18 121.9(4) . . ?
S1_14 Cu25 S1_18 93.6(2) . . ?
S1_19 Cu25 Cu12 128.5(3) . . ?
S1_14 Cu25 Cu12 52.64(16) . . ?
S1_18 Cu25 Cu12 95.48(18) . . ?
S1_19 Cu25 Cu13 118.3(3) . . ?
S1_14 Cu25 Cu13 94.32(15) . . ?
S1_18 Cu25 Cu13 52.22(16) . . ?
Cu12 Cu25 Cu13 56.97(9) . . ?
S1_19 Cu25 Cu18 48.5(2) . . ?
S1_14 Cu25 Cu18 125.6(2) . . ?
S1_18 Cu25 Cu18 123.0(2) . . ?
Cu12 Cu25 Cu18 82.44(12) . . ?
Cu13 Cu25 Cu18 82.03(11) . . ?
P1_166 Cu26 S1_9 136.2(2) . . ?
P1_166 Cu26 S1_20 119.3(2) . . ?
S1_9 Cu26 S1_20 94.92(19) . . ?
P1_166 Cu26 S1_8 119.8(3) . . ?
S1_9 Cu26 S1_8 86.26(17) . . ?
S1_20 Cu26 S1_8 86.60(19) . . ?
P1_2 Cu27 S1_11 115.1(3) . . ?
P1_2 Cu27 S1_17 129.5(3) . . ?
S1_11 Cu27 S1_17 95.7(2) . . ?
P1_2 Cu27 S1_15 127.3(2) . . ?
S1_11 Cu27 S1_15 93.4(3) . . ?
S1_17 Cu27 S1_15 86.48(18) . . ?
P1_2 Cu27 Cu23 139.4(3) . . ?
S1_11 Cu27 Cu23 45.02(18) . . ?
S1_17 Cu27 Cu23 50.76(14) . . ?
S1_15 Cu27 Cu23 92.33(15) . . ?
P1_1 Cu28 S1_10 118.8(3) . . ?
P1_1 Cu28 S1_7 134.4(3) . . ?
S1_10 Cu28 S1_7 89.07(19) . . ?
P1_1 Cu28 S1_16 121.1(2) . . ?
S1_10 Cu28 S1_16 92.04(18) . . ?
S1_7 Cu28 S1_16 90.38(18) . . ?
C6_166 C1_166 C2_166 118.9(14) . . ?
C6_166 C1_166 P1_166 123.4(13) . . ?
C2_166 C1_166 P1_166 117.3(12) . . ?
C3_166 C2_166 C1_166 116.2(16) . . ?
C2_166 C3_166 C4_166 125.1(18) . . ?
C5_166 C4_166 C3_166 118.5(17) . . ?
C4_166 C5_166 C6_166 117.1(16) . . ?
C1_166 C6_166 C5_166 123.9(16) . . ?
C8_166 C7_166 C12_166 120.0 . . ?
C8_166 C7_166 P1_166 123.2(11) . . ?
C12_166 C7_166 P1_166 116.8(11) . . ?
C9_166 C8_166 C7_166 120.0 . . ?
C8_166 C9_166 C10_166 120.0 . . ?
C9_166 C10_166 C11_166 120.0 . . ?
C10_166 C11_166 C12_166 120.0 . . ?
C11_166 C12_166 C7_166 120.0 . . ?
C14_166 C13_166 C18_166 120.0 . . ?
C14_166 C13_166 P1_166 116.9(8) . . ?
C18_166 C13_166 P1_166 123.1(8) . . ?
C13_166 C14_166 C15_166 120.0 . . ?
C14_166 C15_166 C16_166 120.0 . . ?
C17_166 C16_166 C15_166 120.0 . . ?
C18_166 C17_166 C16_166 120.0 . . ?
C17_166 C18_166 C13_166 120.0 . . ?
C13_166 P1_166 C7_166 105.6(8) . . ?
C13_166 P1_166 C1_166 103.0(8) . . ?
C7_166 P1_166 C1_166 105.0(7) . . ?
C13_166 P1_166 Cu26 120.0(5) . . ?
C7_166 P1_166 Cu26 111.9(6) . . ?
C1_166 P1_166 Cu26 110.1(6) . . ?
C6_1 C1_1 C2_1 119.4(17) . . ?
C6_1 C1_1 P1_1 121.5(17) . . ?
C2_1 C1_1 P1_1 119.0(15) . . ?
C3_1 C2_1 C1_1 119.0(18) . . ?
C4_1 C3_1 C2_1 121(2) . . ?
C5_1 C4_1 C3_1 120(2) . . ?
C4_1 C5_1 C6_1 118(2) . . ?
C1_1 C6_1 C5_1 121.4(19) . . ?
C8_1 C7_1 C12_1 121.0(15) . . ?
C8_1 C7_1 P1_1 121.8(14) . . ?
C12_1 C7_1 P1_1 116.9(14) . . ?
C9_1 C8_1 C7_1 119.4(17) . . ?
C8_1 C9_1 C10_1 118.3(18) . . ?
C11_1 C10_1 C9_1 120.9(19) . . ?
C10_1 C11_1 C12_1 120.5(19) . . ?
C7_1 C12_1 C11_1 117.9(17) . . ?
C18_1 C13_1 C14_1 118.7(14) . . ?
C18_1 C13_1 P1_1 125.5(15) . . ?
C14_1 C13_1 P1_1 115.7(14) . . ?
C13_1 C14_1 C15_1 118.9(17) . . ?
C16_1 C15_1 C14_1 120.3(18) . . ?
C17_1 C16_1 C15_1 119.9(18) . . ?
C16_1 C17_1 C18_1 118.6(18) . . ?
C17_1 C18_1 C13_1 121.1(17) . . ?
C13_1 P1_1 C7_1 105.8(10) . . ?
C13_1 P1_1 C1_1 104.5(10) . . ?
C7_1 P1_1 C1_1 102.1(11) . . ?
C13_1 P1_1 Cu28 113.7(7) . . ?
C7_1 P1_1 Cu28 117.5(8) . . ?
C1_1 P1_1 Cu28 111.9(8) . . ?
C2_2 C1_2 C6_2 120.0 . . ?
C2_2 C1_2 P1_2 123.1(10) . . ?
C6_2 C1_2 P1_2 116.8(10) . . ?
C1_2 C2_2 C3_2 120.0 . . ?
C2_2 C3_2 C4_2 120.0 . . ?
C5_2 C4_2 C3_2 120.0 . . ?
C6_2 C5_2 C4_2 120.0 . . ?
C5_2 C6_2 C1_2 120.0 . . ?
C8_2 C7_2 C12_2 120.0 . . ?
C8_2 C7_2 P1_2 118.8(9) . . ?
C12_2 C7_2 P1_2 121.2(9) . . ?
C7_2 C8_2 C9_2 120.0 . . ?
C10_2 C9_2 C8_2 120.0 . . ?
C11_2 C10_2 C9_2 120.0 . . ?
C10_2 C11_2 C12_2 120.0 . . ?
C11_2 C12_2 C7_2 120.0 . . ?
C14_2 C13_2 C18_2 120.0 . . ?
C14_2 C13_2 P1_2 117.7(10) . . ?
C18_2 C13_2 P1_2 122.3(10) . . ?
C15_2 C14_2 C13_2 120.0 . . ?
C14_2 C15_2 C16_2 120.0 . . ?
C17_2 C16_2 C15_2 120.0 . . ?
C16_2 C17_2 C18_2 120.0 . . ?
C17_2 C18_2 C13_2 120.0 . . ?
C13_2 P1_2 C1_2 106.0(8) . . ?
C13_2 P1_2 C7_2 104.3(8) . . ?
C1_2 P1_2 C7_2 103.5(7) . . ?
C13_2 P1_2 Cu27 114.9(6) . . ?
C1_2 P1_2 Cu27 112.6(6) . . ?
C7_2 P1_2 Cu27 114.4(7) . . ?
C1_3 S1_3 Cu22 113.9(8) . . ?
C1_3 S1_3 Cu23 106.8(7) . . ?
Cu22 S1_3 Cu23 129.43(19) . . ?
C1_3 S1_3 Cu06 108.4(6) . . ?
Cu22 S1_3 Cu06 69.77(18) . . ?
Cu23 S1_3 Cu06 69.79(16) . . ?
C6_3 C1_3 C2_3 110.5(15) . . ?
C6_3 C1_3 S1_3 116.7(11) . . ?
C2_3 C1_3 S1_3 110.5(10) . . ?
C1_3 C2_3 C3_3 109.1(13) . . ?
C4_3 C3_3 C2_3 113.0(15) . . ?
C5_3 C4_3 C3_3 109.6(16) . . ?
C4_3 C5_3 C6_3 112.9(15) . . ?
C1_3 C6_3 C5_3 111.3(14) . . ?
C1_4 S1_4 Cu14 104.8(2) . . ?
C1_4 S1_4 Cu08 114.2(2) . . ?
Cu14 S1_4 Cu08 69.99(16) . . ?
C1_4 S1_4 Cu21 111.4(2) . . ?
Cu14 S1_4 Cu21 134.1(2) . . ?
Cu08 S1_4 Cu21 70.06(15) . . ?
C2_4 C1_4 C6_4 112.4 . . ?
C2_4 C1_4 S1_4 108.9 . . ?
C6_4 C1_4 S1_4 108.1 . . ?
C1_4 C2_4 C3_4 111.5 . . ?
C2_4 C3_4 C4_4 111.6 . . ?
C3_4 C4_4 C5_4 110.5 . . ?
C4_4 C5_4 C6_4 108.5 . . ?
C1_4 C6_4 C5_4 109.8 . . ?
C1_5 S1_5 Cu10 112.3(6) . . ?
C1_5 S1_5 Cu20 111.0(8) . . ?
Cu10 S1_5 Cu20 69.46(17) . . ?
C1_5 S1_5 Cu24 104.7(9) . . ?
Cu10 S1_5 Cu24 68.74(17) . . ?
Cu20 S1_5 Cu24 132.6(2) . . ?
C2_5 C1_5 C6_5 112.3(16) . . ?
C2_5 C1_5 S1_5 114.8(11) . . ?
C6_5 C1_5 S1_5 110.7(12) . . ?
C1_5 C2_5 C3_5 108.0(14) . . ?
C4_5 C3_5 C2_5 111.1(16) . . ?
C5_5 C4_5 C3_5 109.4(17) . . ?
C4_5 C5_5 C6_5 112.7(15) . . ?
C1_5 C6_5 C5_5 111.9(15) . . ?
C1_6 S1_6 Cu15 123.2(8) . . ?
C1_6 S1_6 Cu16 114.7(8) . . ?
Cu15 S1_6 Cu16 80.16(19) . . ?
C2_6 C1_6 C6_6 108.2(16) . . ?
C2_6 C1_6 S1_6 104.5(13) . . ?
C6_6 C1_6 S1_6 107.9(14) . . ?
C1_6 C2_6 C3_6 102.9(15) . . ?
C4_6 C3_6 C2_6 111.6(18) . . ?
C5_6 C4_6 C3_6 111.8(17) . . ?
C4_6 C5_6 C6_6 109.0(17) . . ?
C1_6 C6_6 C5_6 105.2(15) . . ?
C1_7 S1_7 Cu07 117.8(5) . . ?
C1_7 S1_7 Cu17 114.6(7) . . ?
Cu07 S1_7 Cu17 67.90(13) . . ?
C1_7 S1_7 Cu16 112.5(7) . . ?
Cu07 S1_7 Cu16 66.95(14) . . ?
Cu17 S1_7 Cu16 125.5(2) . . ?
C1_7 S1_7 Cu28 128.0(5) . . ?
Cu07 S1_7 Cu28 114.1(2) . . ?
Cu17 S1_7 Cu28 85.71(18) . . ?
Cu16 S1_7 Cu28 86.2(2) . . ?
C6_7 C1_7 C2_7 114.3(15) . . ?
C6_7 C1_7 S1_7 110.5(11) . . ?
C2_7 C1_7 S1_7 109.9(10) . . ?
C1_7 C2_7 C3_7 108.4(13) . . ?
C4_7 C3_7 C2_7 111.3(15) . . ?
C5_7 C4_7 C3_7 109.9(16) . . ?
C4_7 C5_7 C6_7 108.1(14) . . ?
C1_7 C6_7 C5_7 111.1(13) . . ?
C1_8 S1_8 Cu02 106.9(7) . . ?
C1_8 S1_8 Cu15 111.3(7) . . ?
Cu02 S1_8 Cu15 71.40(15) . . ?
C1_8 S1_8 Cu22 117.1(6) . . ?
Cu02 S1_8 Cu22 70.17(13) . . ?
Cu15 S1_8 Cu22 124.6(2) . . ?
C1_8 S1_8 Cu26 135.1(7) . . ?
Cu02 S1_8 Cu26 117.6(2) . . ?
Cu15 S1_8 Cu26 79.40(18) . . ?
Cu22 S1_8 Cu26 84.66(18) . . ?
C2_8 C1_8 C6_8 116.2(15) . . ?
C2_8 C1_8 S1_8 112.5(12) . . ?
C6_8 C1_8 S1_8 112.1(12) . . ?
C1_8 C2_8 C3_8 111.7(14) . . ?
C4_8 C3_8 C2_8 113.5(16) . . ?
C5_8 C4_8 C3_8 115.3(16) . . ?
C4_8 C5_8 C6_8 115.9(16) . . ?
C1_8 C6_8 C5_8 113.4(14) . . ?
C1_9 S1_9 Cu03 112.2(5) . . ?
C1_9 S1_9 Cu26 123.3(5) . . ?
Cu03 S1_9 Cu26 124.4(2) . . ?
C1_9 S1_9 Cu15 114.5(5) . . ?
Cu03 S1_9 Cu15 74.24(15) . . ?
Cu26 S1_9 Cu15 85.1(2) . . ?
C1_9 S1_9 Cu14 117.6(5) . . ?
Cu03 S1_9 Cu14 68.35(12) . . ?
Cu26 S1_9 Cu14 83.31(16) . . ?
Cu15 S1_9 Cu14 123.95(19) . . ?
C2_9 C1_9 C6_9 113.4(12) . . ?
C2_9 C1_9 S1_9 110.3(9) . . ?
C6_9 C1_9 S1_9 109.3(10) . . ?
C1_9 C2_9 C3_9 109.1(11) . . ?
C4_9 C3_9 C2_9 113.5(13) . . ?
C5_9 C4_9 C3_9 110.0(13) . . ?
C4_9 C5_9 C6_9 112.6(13) . . ?
C1_9 C6_9 C5_9 109.1(12) . . ?
C1_10 S1_10 Cu04 117.0(5) . . ?
C1_10 S1_10 Cu16 111.5(6) . . ?
Cu04 S1_10 Cu16 68.35(15) . . ?
C1_10 S1_10 Cu28 127.7(5) . . ?
Cu04 S1_10 Cu28 115.3(2) . . ?
Cu16 S1_10 Cu28 89.3(2) . . ?
C1_10 S1_10 Cu18 114.3(7) . . ?
Cu04 S1_10 Cu18 66.81(13) . . ?
Cu16 S1_10 Cu18 126.30(19) . . ?
Cu28 S1_10 Cu18 84.39(17) . . ?
C6_10 C1_10 C2_10 111.2(13) . . ?
C6_10 C1_10 S1_10 110.8(11) . . ?
C2_10 C1_10 S1_10 110.1(10) . . ?
C1_10 C2_10 C3_10 108.4(12) . . ?
C4_10 C3_10 C2_10 111.6(15) . . ?
C5_10 C4_10 C3_10 111.9(14) . . ?
C4_10 C5_10 C6_10 112.9(13) . . ?
C1_10 C6_10 C5_10 110.6(13) . . ?
C1_11 S1_11 Cu20 120.0(8) . . ?
C1_11 S1_11 Cu23 121.7(7) . . ?
Cu20 S1_11 Cu23 91.6(3) . . ?
C1_11 S1_11 Cu27 139.5(9) . . ?
Cu20 S1_11 Cu27 86.8(3) . . ?
Cu23 S1_11 Cu27 83.8(2) . . ?
C6_11 C1_11 C2_11 112.1(16) . . ?
C6_11 C1_11 S1_11 108.8(13) . . ?
C2_11 C1_11 S1_11 109.1(12) . . ?
C1_11 C2_11 C3_11 108.7(14) . . ?
C4_11 C3_11 C2_11 112.1(16) . . ?
C5_11 C4_11 C3_11 112.4(17) . . ?
C4_11 C5_11 C6_11 111.2(16) . . ?
C1_11 C6_11 C5_11 110.5(15) . . ?
C1_12 S1_12 Cu19 121.7(8) . . ?
C1_12 S1_12 Cu17 115.4(8) . . ?
Cu19 S1_12 Cu17 79.7(2) . . ?
C6_12 C1_12 C2_12 108.3(16) . . ?
C6_12 C1_12 S1_12 106.2(13) . . ?
C2_12 C1_12 S1_12 111.4(13) . . ?
C1_12 C2_12 C3_12 105.9(14) . . ?
C4_12 C3_12 C2_12 111.2(17) . . ?
C5_12 C4_12 C3_12 111.5(17) . . ?
C4_12 C5_12 C6_12 110.4(17) . . ?
C1_12 C6_12 C5_12 107.2(14) . . ?
C1_13 S1_13 Cu21 107.7(7) . . ?
C1_13 S1_13 Cu24 103.7(7) . . ?
Cu21 S1_13 Cu24 83.5(2) . . ?
C6_13 C1_13 C2_13 111.5(16) . . ?
C6_13 C1_13 S1_13 108.3(13) . . ?
C2_13 C1_13 S1_13 106.8(12) . . ?
C1_13 C2_13 C3_13 109.7(15) . . ?
C4_13 C3_13 C2_13 110.1(16) . . ?
C5_13 C4_13 C3_13 108.8(17) . . ?
C4_13 C5_13 C6_13 107.4(16) . . ?
C1_13 C6_13 C5_13 107.3(15) . . ?
C1_14 S1_14 Cu12 105.6(8) . . ?
C1_14 S1_14 Cu24 112.6(6) . . ?
Cu12 S1_14 Cu24 70.02(17) . . ?
C1_14 S1_14 Cu25 122.6(6) . . ?
Cu12 S1_14 Cu25 72.28(18) . . ?
Cu24 S1_14 Cu25 119.1(2) . . ?
C6_14 C1_14 C2_14 112.8(15) . . ?
C6_14 C1_14 S1_14 111.6(12) . . ?
C2_14 C1_14 S1_14 106.6(12) . . ?
C1_14 C2_14 C3_14 112.1(14) . . ?
C4_14 C3_14 C2_14 109.1(16) . . ?
C5_14 C4_14 C3_14 107.6(16) . . ?
C4_14 C5_14 C6_14 112.1(16) . . ?
C1_14 C6_14 C5_14 112.0(14) . . ?
C1_15 S1_15 Cu11 107.7(7) . . ?
C1_15 S1_15 Cu19 115.9(6) . . ?
Cu11 S1_15 Cu19 72.89(15) . . ?
C1_15 S1_15 Cu27 131.7(7) . . ?
Cu11 S1_15 Cu27 120.24(19) . . ?
Cu19 S1_15 Cu27 85.5(2) . . ?
C1_15 S1_15 Cu20 114.4(6) . . ?
Cu11 S1_15 Cu20 68.65(16) . . ?
Cu19 S1_15 Cu20 123.38(18) . . ?
Cu27 S1_15 Cu20 79.93(18) . . ?
C6_15 C1_15 C2_15 113.2(14) . . ?
C6_15 C1_15 S1_15 114.2(11) . . ?
C2_15 C1_15 S1_15 106.0(11) . . ?
C1_15 C2_15 C3_15 110.3(13) . . ?
C4_15 C3_15 C2_15 110.0(14) . . ?
C5_15 C4_15 C3_15 107.6(15) . . ?
C4_15 C5_15 C6_15 109.4(15) . . ?
C1_15 C6_15 C5_15 110.1(13) . . ?
C1_16 S1_16 Cu05 116.4(5) . . ?
C1_16 S1_16 Cu18 118.9(9) . . ?
Cu05 S1_16 Cu18 67.99(15) . . ?
C1_16 S1_16 Cu17 108.8(8) . . ?
Cu05 S1_16 Cu17 67.44(15) . . ?
Cu18 S1_16 Cu17 125.11(17) . . ?
C1_16 S1_16 Cu28 130.4(5) . . ?
Cu05 S1_16 Cu28 112.98(16) . . ?
Cu18 S1_16 Cu28 84.22(18) . . ?
Cu17 S1_16 Cu28 85.1(2) . . ?
C6_16 C1_16 C2_16 115.4(15) . . ?
C6_16 C1_16 S1_16 116.4(11) . . ?
C2_16 C1_16 S1_16 112.5(10) . . ?
C1_16 C2_16 C3_16 111.2(12) . . ?
C4_16 C3_16 C2_16 114.2(15) . . ?
C3_16 C4_16 C5_16 111.9(16) . . ?
C4_16 C5_16 C6_16 111.6(15) . . ?
C1_16 C6_16 C5_16 108.5(14) . . ?
C1_17 S1_17 Cu09 112.7(7) . . ?
C1_17 S1_17 Cu19 115.5(6) . . ?
Cu09 S1_17 Cu19 72.20(17) . . ?
C1_17 S1_17 Cu27 127.5(7) . . ?
Cu09 S1_17 Cu27 119.6(2) . . ?
Cu19 S1_17 Cu27 85.97(19) . . ?
C1_17 S1_17 Cu23 118.4(6) . . ?
Cu09 S1_17 Cu23 68.35(16) . . ?
Cu19 S1_17 Cu23 121.8(2) . . ?
Cu27 S1_17 Cu23 78.50(18) . . ?
C6_17 C1_17 C2_17 112.0(15) . . ?
C6_17 C1_17 S1_17 109.5(11) . . ?
C2_17 C1_17 S1_17 109.9(12) . . ?
C1_17 C2_17 C3_17 110.9(14) . . ?
C4_17 C3_17 C2_17 111.8(15) . . ?
C5_17 C4_17 C3_17 111.2(16) . . ?
C4_17 C5_17 C6_17 113.3(16) . . ?
C1_17 C6_17 C5_17 110.6(14) . . ?
C1_18 S1_18 Cu13 103.6(7) . . ?
C1_18 S1_18 Cu21 127.6(7) . . ?
Cu13 S1_18 Cu21 70.37(19) . . ?
C1_18 S1_18 Cu25 105.1(7) . . ?
Cu13 S1_18 Cu25 72.8(2) . . ?
Cu21 S1_18 Cu25 120.7(3) . . ?
C6_18 C1_18 C2_18 113.8(15) . . ?
C6_18 C1_18 S1_18 109.2(14) . . ?
C2_18 C1_18 S1_18 114.0(14) . . ?
C1_18 C2_18 C3_18 107.4(15) . . ?
C4_18 C3_18 C2_18 113.1(18) . . ?
C5_18 C4_18 C3_18 109.4(18) . . ?
C4_18 C5_18 C6_18 112.8(18) . . ?
C1_18 C6_18 C5_18 109.6(16) . . ?
C1_19 S1_19 Cu18 111.1(9) . . ?
C1_19 S1_19 Cu25 113.3(9) . . ?
Cu18 S1_19 Cu25 80.9(2) . . ?
C6_19 C1_19 C2_19 107.2(17) . . ?
C6_19 C1_19 S1_19 107.1(14) . . ?
C2_19 C1_19 S1_19 109.8(14) . . ?
C1_19 C2_19 C3_19 112.7(16) . . ?
C4_19 C3_19 C2_19 112.1(17) . . ?
C5_19 C4_19 C3_19 115.0(18) . . ?
C4_19 C5_19 C6_19 112.5(18) . . ?
C1_19 C6_19 C5_19 105.8(15) . . ?
C1_20 S1_20 Cu22 121.3(6) . . ?
C1_20 S1_20 Cu14 118.1(6) . . ?
Cu22 S1_20 Cu14 95.7(2) . . ?
C1_20 S1_20 Cu26 131.6(6) . . ?
Cu22 S1_20 Cu26 94.2(2) . . ?
Cu14 S1_20 Cu26 86.18(19) . . ?
C6_20 C1_20 C2_20 110.7(13) . . ?
C6_20 C1_20 S1_20 109.4(10) . . ?
C2_20 C1_20 S1_20 111.4(10) . . ?
C1_20 C2_20 C3_20 111.5(12) . . ?
C4_20 C3_20 C2_20 113.9(14) . . ?
C3_20 C4_20 C5_20 113.1(14) . . ?
C4_20 C5_20 C6_20 114.3(14) . . ?
C1_20 C6_20 C5_20 109.1(12) . . ?

# start Validation Reply Form
_vrf_PLAT307_cu_20220110_ND_Cu3_0m_5_sq 
;
PROBLEM: Isolated Metal Atom found in Structure (Unusual)       Cu01 Check 
RESPONSE: it is bound with other atoms with reasonable bond length
;
_vrf_PLAT308_cu_20220110_ND_Cu3_0m_5_sq 
;
PROBLEM: Single Bonded Metal Atom in Structure  (Unusual)       Cu02 Check 
RESPONSE: it is bound with other atoms with reasonable bond length
;
# end Validation Reply Form
