# Supplementary Information (SI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2026

####################################################################### 
# 
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 2381499'
loop_
_audit_author_name
_audit_author_address
'Qinzhen Li'
;Anhui University
China
;
_audit_update_record             
;
2024-09-03 deposited with the CCDC.	2026-04-20 downloaded from the CCDC.
;
_audit_creation_date             2023-04-17
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748)
;
_shelx_SHELXL_version_number     2017/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C177 H254 Au27 Cd2 Cl N P S16'
_chemical_formula_sum            'C177 H254 Au27 Cd2 Cl N P S16'
_chemical_formula_weight         8518.07
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -4.4197 7.2980 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cd Cd 0.1185 4.6533 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
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                   17.3748(3)
_cell_length_b                   32.3965(4)
_cell_length_c                   38.6842(6)
_cell_angle_alpha                90
_cell_angle_beta                 97.4160(10)
_cell_angle_gamma                90
_cell_volume                     21592.5(6)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    44168
_cell_measurement_temperature    120
_cell_measurement_theta_max      69.95
_cell_measurement_theta_min      2.94
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    36.961
_exptl_absorpt_correction_T_max  0.3333
_exptl_absorpt_correction_T_min  0.0185
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
STOE X-Red32, absorption correction by Gaussian integration, analogous to
P. Coppens, "The Evaluation of Absorption and Extinction in Single-Crystal
Structure Analysis", published in: F. R. Ahmed (Editor), "Crystallographic
Computing", Munksgaard, Copenhagen (1970), 255 - 270.
Afterwards scaling of reflection intensities was performed within STOE LANA.
J. Koziskova, F. Hahn, J. Richter, J. Kozisek, "Comparison of different
absorption corrections on the model structure of tetrakis(μ₂-acetato)-
diaqua-di-copper(II)", Acta Chimica Slovaca, vol. 9, no. 2, 2016, pp. 136 - 140.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            black
_exptl_crystal_colour_primary    black
_exptl_crystal_density_diffrn    2.620
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             15360
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
0 -1 30 0.0116
-1 -6 -30 0.0236
2 2 -15 0.0290
-4 5 30 0.0221
0 -7 30 0.0395
-5 -3 -15 0.0355
1 3 15 0.0340
0 0 -1 0.0129
7 -1 30 0.0205
0 1 -5 0.0257
-4 -3 30 0.0321
1 -1 -6 0.0333

_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0825
_diffrn_reflns_av_unetI/netI     0.2038
_diffrn_reflns_Laue_measured_fraction_full 0.951
_diffrn_reflns_Laue_measured_fraction_max 0.951
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       37
_diffrn_reflns_limit_k_min       -38
_diffrn_reflns_limit_l_max       45
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_number            87221
_diffrn_reflns_point_group_measured_fraction_full 0.951
_diffrn_reflns_point_group_measured_fraction_max 0.951
_diffrn_reflns_theta_full        65.998
_diffrn_reflns_theta_max         65.998
_diffrn_reflns_theta_min         2.944
_diffrn_ambient_temperature      120
_diffrn_detector                 Pilatus300K
_diffrn_detector_area_resol_mean 5.81
_diffrn_detector_type            'DECTRIS PILATUS 300K'
_diffrn_measured_fraction_theta_full 0.951
_diffrn_measured_fraction_theta_max 0.951
_diffrn_measurement_details      
;
 1050 frames, detector distance = 60 mm
;
_diffrn_measurement_device       'Eulerian 4-circle diffractometer'
_diffrn_measurement_device_type  'STOE STADIVARI'
_diffrn_measurement_method       'rotation method, ω scans'
_diffrn_radiation_collimation    '1.2 mm, 0.6 diameter'
_diffrn_radiation_monochromator  'Graded multilayer mirror'
_diffrn_radiation_polarisn_norm  270
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54186
_diffrn_source                   'GeniX 3D HF Cu'
_diffrn_source_current           0.600
_diffrn_source_power             0.030
_diffrn_source_voltage           50
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                16508
_reflns_number_total             35798
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       
;
X-Area Recipe 1.33.0.0 (STOE, 2015)
;
_computing_data_collection       
;
X-Area Pilatus3_SV 1.31.153.0 (STOE, 2018)
;
_computing_data_reduction        
;
X-Area Integrate 1.74.2.0 (STOE, 2018)
X-Area LANA 1.75.3.0 (STOE, 2018)
;
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  
;
STOE & Cie GmbH, X-Area, software package for collecting single-crystal or
multi-domain crystal data on STOE area-detector diffractometers, for image 
processing, for the correction and scaling of reflection intensities and 
for outlier rejection, version 1.86, Darmstadt 2018
;
_computing_structure_refinement  'SHELXL 2017/1 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         2.480
_refine_diff_density_min         -1.472
_refine_diff_density_rms         0.273
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.712
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2153
_refine_ls_number_reflns         35798
_refine_ls_number_restraints     2406
_refine_ls_R_factor_all          0.0953
_refine_ls_R_factor_gt           0.0488
_refine_ls_restrained_S_all      0.695
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0237P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0958
_refine_ls_wR_factor_ref         0.1033
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2. Restrained distances
 C21-C191 = C191-C134 = C175-C134 = C27-C175 = C98-C27 = C98-C21 = C21-C136 =
 C134-C124 = C27-C108 = C136-C03Z = C124-C03Z = C108-C03Z
 1.55 with sigma of 0.01
 C124-C136
 2.5 with sigma of 0.01
 C27-C124
 2.9 with sigma of 0.01
 C27-C136
 2.9 with sigma of 0.01
 C108-C136
 2.5 with sigma of 0.01
 C108-C124
 2.5 with sigma of 0.01
 C175-C98
 2.5 with sigma of 0.01
 C21-C134
 2.5 with sigma of 0.01
 C175-C191
 2.5 with sigma of 0.01
 C03Z-C191
 2.9 with sigma of 0.01
 C134-C108
 2.9 with sigma of 0.01
 C134-C136
 2.9 with sigma of 0.01
 C21-C124
 2.9 with sigma of 0.01
 C21-C108
 2.9 with sigma of 0.01
 C134-C98
 2.9 with sigma of 0.01
 C51-C62
 2.5 with sigma of 0.01
 C8-C4
 2.5 with sigma of 0.01
 C5-C4
 2.5 with sigma of 0.01
 C5-C8
 2.5 with sigma of 0.01
 C51-C43 = C51-C123 = C62-C123 = C62-C18 = C18-C119 = C43-C119 = C8-C43 = C5-
 C123 = C4-C3 = C4-C18 = C5-C3 = C8-C3
 1.55 with sigma of 0.01
 C43-C5
 2.9 with sigma of 0.01
 C15-C12 = C14-C12 = C19-C12 = C20-C14 = C23-C19 = C25-C15 = C28-C25 = C28-C23
 = C23-C22 = C22-C20 = C32-C25 = C32-C20
 1.55 with sigma of 0.01
 C15-C19
 2.5 with sigma of 0.01
 C14-C19
 2.5 with sigma of 0.01
 C15-C14
 2.5 with sigma of 0.01
 C80-C36 = C37-C36 = C38-C37 = C39-C38 = C40-C39 = C80-C40 = C40-C35 = C36-C31
 = C38-C34 = C34-C30 = C31-C30 = C35-C30
 1.55 with sigma of 0.01
 C37-C39
 2.5 with sigma of 0.01
 C40-C36
 2.5 with sigma of 0.01
 C111-C02R = C92-C02R = C41-C02R = C92-C42 = C96-C41 = C114-C111 = C45-C114 =
 C45-C42 = C44-C42 = C96-C44 = C96-C101 = C114-C101
 1.55 with sigma of 0.01
 C111-C92
 2.5 with sigma of 0.01
 C41-C92
 2.5 with sigma of 0.01
 C111-C41
 2.5 with sigma of 0.01
 C44-C101
 2.5 with sigma of 0.01
 C45-C44
 2.5 with sigma of 0.01
 C101-C45
 2.5 with sigma of 0.01
 C42-C114
 2.5 with sigma of 0.01
 C114-C96
 2.5 with sigma of 0.01
 C96-C42
 2.5 with sigma of 0.01
 C51-C3
 2.9 with sigma of 0.01
 C43-C18
 2.5 with sigma of 0.01
 C123-C18
 2.5 with sigma of 0.01
 C123-C43
 2.5 with sigma of 0.01
 C64-C02U = C26-C02U = C02U-C01M = C7-C01M = C26-C1 = C64-C110 = C6-C110 = C6-
 C1 = C24-C1 = C7-C24 = C33-C110 = C7-C33
 1.55 with sigma of 0.01
 C78-C47 = C59-C47 = C53-C47 = C59-C49 = C78-C52 = C54-C52 = C54-C49 = C49-C48
 = C50-C48 = C50-C192 = C52-C192 = C53-C50
 1.55 with sigma of 0.01
 C61-C58 = C60-C58 = C58-C57 = C65-C57 = C65-C63 = C66-C65 = C67-C66 = C68-C67
 = C68-C146 = C63-C146 = C60-C146 = C67-C61
 1.55 with sigma of 0.01
 S00W-C58
 1.8 with sigma of 0.01
 C037-C026 = C73-C026 = C71-C026 = C82-C037 = C74-C73 = C83-C74 = C76-C74 =
 C81-C77 = C82-C81 = C77-C76 = C77-C71
 1.55 with sigma of 0.01
 C73-C71
 2.5 with sigma of 0.01
 C037-C71
 2.5 with sigma of 0.01
 C037-C73
 2.5 with sigma of 0.01
 C83-C81
 2.5 with sigma of 0.01
 C81-C76
 2.5 with sigma of 0.01
 C83-C76
 2.5 with sigma of 0.01
 C74-C77
 2.5 with sigma of 0.01
 C026-C83
 2.9 with sigma of 0.01
 C026-C76
 2.9 with sigma of 0.01
 C192-C47
 2.9 with sigma of 0.01
 C01Z-C02C
 2.5 with sigma of 0.01
 C02I-C02C
 2.5 with sigma of 0.01
 C01Z-C02I
 2.5 with sigma of 0.01
 C99-C94 = C94-C109 = C97-C94
 1.55 with sigma of 0.01
 C94-C112 = C99-C94 = C94-C107 = C94-C109 = C94-C349 = C97-C94
 1.55 with sigma of 0.01
 C112-C107
 2.5 with sigma of 0.01
 C349-C112
 2.5 with sigma of 0.01
 C349-C107
 2.5 with sigma of 0.01
 C99-C97
 2.5 with sigma of 0.01
 C109-C97
 2.5 with sigma of 0.01
 C109-C99
 2.5 with sigma of 0.01
 C106-C107
 1.55 with sigma of 0.01
 C99-C105 = C109-C104 = C97-C131 = C349-C102 = C107-C106 = C95-C112
 1.55 with sigma of 0.01
 C106-C95
 2.5 with sigma of 0.01
 C377-C103
 2.5 with sigma of 0.01
 C377-C106 = C377-C102 = C103-C102 = C95-C103
 1.55 with sigma of 0.01
 C198-C106 = C95-C198
 1.55 with sigma of 0.01
 C198-C103
 2.5 with sigma of 0.01
 C377-C198
 2.5 with sigma of 0.01
 C349-C377
 2.5 with sigma of 0.01
 C105-C104
 2.5 with sigma of 0.01
 C132-C104 = C132-C131 = C167-C105
 1.55 with sigma of 0.01
 C104-C167
 1.55 with sigma of 0.01
 C358-C105 = C358-C131
 1.55 with sigma of 0.01
 C358-C132
 2.5 with sigma of 0.01
 C358-C167
 2.5 with sigma of 0.01
 C167-C132
 2.5 with sigma of 0.01
 C105-C131
 2.5 with sigma of 0.01
 C105-C97
 2.9 with sigma of 0.01
 C99-C131
 2.9 with sigma of 0.01
 C131-C104
 2.5 with sigma of 0.01
 C103-C106
 2.9 with sigma of 0.01
 C95-C377
 2.9 with sigma of 0.01
 C02R-C41 \\sim C02R-C41A
 with sigma of 0.02
 C02R-C92 \\sim C02R-C92A
 with sigma of 0.02
 C02R-C111 \\sim C02R-C1A
 with sigma of 0.02
 C44-C42 \\sim C44A-C42A
 with sigma of 0.02
 C44-C96 \\sim C44A-C96A
 with sigma of 0.02
 C45-C42 \\sim C45A-C42A
 with sigma of 0.02
 C45-C114 \\sim C45A-C1B
 with sigma of 0.02
 C42-C92 \\sim C42A-C92A
 with sigma of 0.02
 C41-C96 \\sim C41A-C96A
 with sigma of 0.02
 C96-C101 \\sim C96A-C46
 with sigma of 0.02
 C101-C114 \\sim C46-C1B
 with sigma of 0.02
 C111-C114 \\sim C1A-C1B
 with sigma of 0.02
 C02R-C42 \\sim C02R-C42A
 with sigma of 0.04
 C02R-C96 \\sim C02R-C96A
 with sigma of 0.04
 C02R-C114 \\sim C02R-C1B
 with sigma of 0.04
 C44-C45 \\sim C44A-C45A
 with sigma of 0.04
 C44-C41 \\sim C44A-C41A
 with sigma of 0.04
 C44-C92 \\sim C44A-C92A
 with sigma of 0.04
 C44-C101 \\sim C44A-C46
 with sigma of 0.04
 C45-C92 \\sim C45A-C92A
 with sigma of 0.04
 C45-C101 \\sim C45A-C46
 with sigma of 0.04
 C45-C111 \\sim C45A-C1A
 with sigma of 0.04
 C42-C96 \\sim C42A-C96A
 with sigma of 0.04
 C42-C114 \\sim C42A-C1B
 with sigma of 0.04
 C41-C101 \\sim C41A-C46
 with sigma of 0.04
 C96-C114 \\sim C96A-C1B
 with sigma of 0.04
 C101-C111 \\sim C46-C1A
 with sigma of 0.04
3. Uiso/Uaniso restraints and constraints
C94 \\sim C97 \\sim C99 \\sim C109 \\sim C104 \\sim C105 \\sim C131 \\sim C132
\\sim C167 \\sim C358: within 1.7A with sigma of 0.004 and sigma for terminal
atoms of 0.008 within 1.7A
C47 \\sim C53 \\sim C59 \\sim C78 \\sim C49 \\sim C54 \\sim C52 \\sim C48 \\sim
C50 \\sim C192: within 1.7A with sigma of 0.004 and sigma for terminal atoms of
0.008 within 1.7A
C026 \\sim C037 \\sim C83 \\sim C82 \\sim C77 \\sim C71 \\sim C74 \\sim C81
\\sim C76 \\sim C73: within 1.7A with sigma of 0.004 and sigma for terminal
atoms of 0.008 within 1.7A
C02R \\sim C44 \\sim C45 \\sim C41 \\sim C96 \\sim C111 \\sim C114 \\sim C42
\\sim C92 \\sim C101: within 1.7A with sigma of 0.004 and sigma for terminal
atoms of 0.008 within 1.7A
C02U \\sim C7 \\sim C64 \\sim C110 \\sim C1 \\sim C6 \\sim C24 \\sim C26 \\sim
C33 \\sim C01M: within 1.7A with sigma of 0.004 and sigma for terminal atoms of
0.008 within 1.7A
C3 \\sim C8 \\sim C18 \\sim C4 \\sim C5 \\sim C62 \\sim C123 \\sim C43 \\sim
C51 \\sim C119: within 1.7A with sigma of 0.004 and sigma for terminal atoms of
0.008 within 1.7A
C19 \\sim C12 \\sim C14 \\sim C15 \\sim C22 \\sim C23 \\sim C20 \\sim C25 \\sim
C28 \\sim C32: within 1.7A with sigma of 0.004 and sigma for terminal atoms of
0.008 within 1.7A
C61 \\sim C67 \\sim C68 \\sim C58 \\sim C63 \\sim C66 \\sim C60 \\sim C57 \\sim
C65 \\sim C146: within 1.7A with sigma of 0.004 and sigma for terminal atoms of
0.008 within 1.7A
C75 \\sim C90 \\sim C79 \\sim C84 \\sim C100 \\sim C91: within 1.7A with sigma
of 0.004 and sigma for terminal atoms of 0.008 within 1.7A
C115 \\sim C2 \\sim C55 \\sim C189 \\sim C56 \\sim C9: within 1.7A with sigma
of 0.004 and sigma for terminal atoms of 0.008 within 1.7A
C030 \\sim C86 \\sim C87 \\sim C88 \\sim C118 \\sim N85: within 1.7A with sigma
of 0.004 and sigma for terminal atoms of 0.008 within 1.7A
C03Z \\sim C21 \\sim C27 \\sim C98 \\sim C108 \\sim C124 \\sim C134 \\sim C136
\\sim C175 \\sim C191: within 1.7A with sigma of 0.004 and sigma for terminal
atoms of 0.008 within 1.7A
C94 \\sim C95 \\sim C103 \\sim C102 \\sim C106 \\sim C112 \\sim C349 \\sim C377
\\sim C198 \\sim C107: within 1.7A with sigma of 0.004 and sigma for terminal
atoms of 0.008 within 1.7A
C41A \\sim C1A \\sim C1B \\sim C46 \\sim C96A \\sim C92A \\sim C42A \\sim C44A
\\sim C45A \\sim C02R: within 1.7A with sigma of 0.004 and sigma for terminal
atoms of 0.008 within 1.7A
Uanis(C01C) \\sim Ueq, Uanis(C01D) \\sim Ueq, Uanis(C01E) \\sim Ueq,
Uanis(C01I) \\sim Ueq, Uanis(C01K) \\sim Ueq, Uanis(C01M) \\sim Ueq,
Uanis(C01O) \\sim Ueq, Uanis(C01P) \\sim Ueq, Uanis(C01Q) \\sim Ueq,
Uanis(C01R) \\sim Ueq, Uanis(C01S) \\sim Ueq, Uanis(C01T) \\sim Ueq,
Uanis(C01U) \\sim Ueq, Uanis(C01V) \\sim Ueq, Uanis(C01W) \\sim Ueq,
Uanis(C01X) \\sim Ueq, Uanis(C01Y) \\sim Ueq, Uanis(C01Z) \\sim Ueq,
Uanis(C020) \\sim Ueq, Uanis(C022) \\sim Ueq, Uanis(C023) \\sim Ueq,
Uanis(C026) \\sim Ueq, Uanis(C02C) \\sim Ueq, Uanis(C02D) \\sim Ueq,
Uanis(C02F) \\sim Ueq, Uanis(C02H) \\sim Ueq, Uanis(C02I) \\sim Ueq,
Uanis(C02L) \\sim Ueq, Uanis(C02M) \\sim Ueq, Uanis(C02N) \\sim Ueq,
Uanis(C02O) \\sim Ueq, Uanis(C02P) \\sim Ueq, Uanis(C02Q) \\sim Ueq,
Uanis(C02R) \\sim Ueq, Uanis(C02U) \\sim Ueq, Uanis(C02V) \\sim Ueq,
Uanis(C02Y) \\sim Ueq, Uanis(C02Z) \\sim Ueq, Uanis(C030) \\sim Ueq, Uanis(C86)
\\sim Ueq, Uanis(C87) \\sim Ueq, Uanis(C88) \\sim Ueq, Uanis(C118) \\sim Ueq,
Uanis(C032) \\sim Ueq, Uanis(C034) \\sim Ueq, Uanis(C036) \\sim Ueq,
Uanis(C037) \\sim Ueq, Uanis(C038) \\sim Ueq, Uanis(C03A) \\sim Ueq,
Uanis(C03C) \\sim Ueq, Uanis(C03D) \\sim Ueq, Uanis(C03F) \\sim Ueq,
Uanis(C03G) \\sim Ueq, Uanis(C03H) \\sim Ueq, Uanis(C03K) \\sim Ueq,
Uanis(C03N) \\sim Ueq, Uanis(C03V) \\sim Ueq, Uanis(C03X) \\sim Ueq,
Uanis(C03Z) \\sim Ueq, Uanis(C7) \\sim Ueq, Uanis(C64) \\sim Ueq, Uanis(C110)
\\sim Ueq, Uanis(C1) \\sim Ueq, Uanis(C6) \\sim Ueq, Uanis(C24) \\sim Ueq,
Uanis(C26) \\sim Ueq, Uanis(C33) \\sim Ueq, Uanis(C21) \\sim Ueq, Uanis(C27)
\\sim Ueq, Uanis(C98) \\sim Ueq, Uanis(C108) \\sim Ueq, Uanis(C124) \\sim Ueq,
Uanis(C134) \\sim Ueq, Uanis(C136) \\sim Ueq, Uanis(C175) \\sim Ueq,
Uanis(C191) \\sim Ueq, Uanis(C70) \\sim Ueq, Uanis(C72) \\sim Ueq, Uanis(C135)
\\sim Ueq, Uanis(C152) \\sim Ueq, Uanis(C3) \\sim Ueq, Uanis(C8) \\sim Ueq,
Uanis(C18) \\sim Ueq, Uanis(C4) \\sim Ueq, Uanis(C5) \\sim Ueq, Uanis(C62)
\\sim Ueq, Uanis(C123) \\sim Ueq, Uanis(C43) \\sim Ueq, Uanis(C51) \\sim Ueq,
Uanis(C119) \\sim Ueq, Uanis(C11) \\sim Ueq, Uanis(C16) \\sim Ueq, Uanis(C17)
\\sim Ueq, Uanis(C10) \\sim Ueq, Uanis(C29) \\sim Ueq, Uanis(C69) \\sim Ueq,
Uanis(C19) \\sim Ueq, Uanis(C12) \\sim Ueq, Uanis(C14) \\sim Ueq, Uanis(C15)
\\sim Ueq, Uanis(C22) \\sim Ueq, Uanis(C23) \\sim Ueq, Uanis(C20) \\sim Ueq,
Uanis(C25) \\sim Ueq, Uanis(C28) \\sim Ueq, Uanis(C32) \\sim Ueq, Uanis(C31)
\\sim Ueq, Uanis(C40) \\sim Ueq, Uanis(C30) \\sim Ueq, Uanis(C36) \\sim Ueq,
Uanis(C39) \\sim Ueq, Uanis(C35) \\sim Ueq, Uanis(C34) \\sim Ueq, Uanis(C38)
\\sim Ueq, Uanis(C37) \\sim Ueq, Uanis(C80) \\sim Ueq, Uanis(C44) \\sim Ueq,
Uanis(C45) \\sim Ueq, Uanis(C42) \\sim Ueq, Uanis(C41) \\sim Ueq, Uanis(C92)
\\sim Ueq, Uanis(C96) \\sim Ueq, Uanis(C101) \\sim Ueq, Uanis(C111) \\sim Ueq,
Uanis(C114) \\sim Ueq, Uanis(C44A) \\sim Ueq, Uanis(C45A) \\sim Ueq,
Uanis(C42A) \\sim Ueq, Uanis(C41A) \\sim Ueq, Uanis(C96A) \\sim Ueq, Uanis(C46)
\\sim Ueq, Uanis(C1A) \\sim Ueq, Uanis(C1B) \\sim Ueq, Uanis(C92A) \\sim Ueq,
Uanis(C47) \\sim Ueq, Uanis(C53) \\sim Ueq, Uanis(C59) \\sim Ueq, Uanis(C78)
\\sim Ueq, Uanis(C49) \\sim Ueq, Uanis(C54) \\sim Ueq, Uanis(C52) \\sim Ueq,
Uanis(C48) \\sim Ueq, Uanis(C50) \\sim Ueq, Uanis(C192) \\sim Ueq, Uanis(C75)
\\sim Ueq, Uanis(C90) \\sim Ueq, Uanis(C79) \\sim Ueq, Uanis(C84) \\sim Ueq,
Uanis(C100) \\sim Ueq, Uanis(C91) \\sim Ueq, Uanis(C2) \\sim Ueq, Uanis(C55)
\\sim Ueq, Uanis(C189) \\sim Ueq, Uanis(C56) \\sim Ueq, Uanis(C9) \\sim Ueq,
Uanis(C115) \\sim Ueq, Uanis(C61) \\sim Ueq, Uanis(C67) \\sim Ueq, Uanis(C68)
\\sim Ueq, Uanis(C58) \\sim Ueq, Uanis(C63) \\sim Ueq, Uanis(C66) \\sim Ueq,
Uanis(C60) \\sim Ueq, Uanis(C57) \\sim Ueq, Uanis(C65) \\sim Ueq, Uanis(C146)
\\sim Ueq, Uanis(C83) \\sim Ueq, Uanis(C82) \\sim Ueq, Uanis(C77) \\sim Ueq,
Uanis(C71) \\sim Ueq, Uanis(C74) \\sim Ueq, Uanis(C81) \\sim Ueq, Uanis(C76)
\\sim Ueq, Uanis(C73) \\sim Ueq, Uanis(C89) \\sim Ueq, Uanis(C93) \\sim Ueq,
Uanis(C94) \\sim Ueq, Uanis(C97) \\sim Ueq, Uanis(C99) \\sim Ueq, Uanis(C109)
\\sim Ueq, Uanis(C95) \\sim Ueq, Uanis(C103) \\sim Ueq, Uanis(C104) \\sim Ueq,
Uanis(C102) \\sim Ueq, Uanis(C105) \\sim Ueq, Uanis(C106) \\sim Ueq,
Uanis(C112) \\sim Ueq, Uanis(C107) \\sim Ueq, Uanis(C131) \\sim Ueq,
Uanis(C349) \\sim Ueq, Uanis(C377) \\sim Ueq, Uanis(C198) \\sim Ueq,
Uanis(C132) \\sim Ueq, Uanis(C167) \\sim Ueq, Uanis(C358) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
Uanis(C115) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
4. Rigid body (RIGU) restrains
 S16, C21, C27, C98, C108, C124, C134, C136, C175, C191, C03Z
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
5. Others
 Sof(C44A)=Sof(H44C)=Sof(H44D)=Sof(C45A)=Sof(H45C)=Sof(H45D)=Sof(C42A)=
 Sof(H42A)=Sof(C41A)=Sof(H41C)=Sof(H41D)=Sof(C96A)=Sof(H96A)=Sof(C46)=Sof(H46A)=
 Sof(H46B)=Sof(C1A)=Sof(H1AA)=Sof(H1AB)=Sof(C1B)=Sof(H1B)=Sof(C92A)=Sof(H92C)=
 Sof(H92D)=1-FVAR(1)
 Sof(C44)=Sof(H44A)=Sof(H44B)=Sof(C45)=Sof(H45A)=Sof(H45B)=Sof(C42)=Sof(H42)=
 Sof(C41)=Sof(H41A)=Sof(H41B)=Sof(C92)=Sof(H92A)=Sof(H92B)=Sof(C96)=Sof(H96)=
 Sof(C101)=Sof(H10C)=Sof(H10D)=Sof(C111)=Sof(H11E)=Sof(H11F)=Sof(C114)=
 Sof(H114)=FVAR(1)
 Fixed Sof: C97(0.5) H97A(0.5) H97B(0.5) C99(0.5) H99A(0.5) H99B(0.5)
 C109(0.5) H10E(0.5) H10F(0.5) C95(0.5) H95(0.5) C103(0.5) H10G(0.5) H10H(0.5)
 C104(0.5) H104(0.5) C102(0.5) H102(0.5) C105(0.5) H105(0.5) C106(0.5)
 H106(0.5) C112(0.5) H11G(0.5) H11H(0.5) C107(0.5) H10I(0.5) H10J(0.5)
 C131(0.5) H131(0.5) C349(0.5) H34C(0.5) H34D(0.5) C377(0.5) H37C(0.5)
 H37D(0.5) C198(0.5) H19G(0.5) H19H(0.5) C132(0.5) H13C(0.5) H13D(0.5)
 C167(0.5) H16C(0.5) H16D(0.5) C358(0.5) H35C(0.5) H35D(0.5)
6.a Ternary CH refined with riding coordinates:
 C01I(H01I), C01K(H01K), C01V(H01V), C02L(H02O), C032(H032), C034(H034),
 C036(H036), C038(H038), C03C(H03E), C03G(H03J), C03H(H03K), C03K(H03L), C7(H7),
  C110(H110), C1(H1), C21(H21), C27(H27), C134(H134), C135(H135), C152(H152),
 C18(H18), C123(H123), C43(H43), C17(H17), C10(H10), C29(H29), C23(H23),
 C20(H20), C25(H25), C40(H40), C36(H36), C38(H38), C42(H42), C96(H96),
 C114(H114), C42A(H42A), C96A(H96A), C1B(H1B), C49(H49), C52(H52), C50(H50),
 C67(H67), C65(H65), C146(H146), C82(H82), C77(H77), C74(H74), C89(H89),
 C95(H95), C104(H104), C102(H102), C105(H105), C106(H106), C131(H131)
6.b Secondary CH2 refined with riding coordinates:
 C01C(H01A,H01B), C01D(H01C,H01D), C01M(H01E,H01F), C01O(H01G,H01H), C01Q(H01J,
 H01L), C01R(H01M,H01N), C01S(H01O,H01P), C01U(H01Q,H01R), C01W(H01S,H01T),
 C01X(H01U,H01W), C01Y(H01X,H01Y), C01Z(H01Z,H), C020(H02A,H02B), C022(H02C,
 H02D), C02C(H02E,H02F), C02D(H02G,H02H), C02F(H02I,H02J), C02H(H02K,H02L),
 C02I(H02M,H02N), C02M(H02P,H02Q), C02N(H02R,H02S), C02P(H02T,H02U), C02Q(H02V,
 H02W), C02Y(H02X,H02Y), C02Z(H02Z,HA), C037(H03A,H03B), C03A(H03C,H03D),
 C03D(H03F,H03G), C03F(H03H,H03I), C03N(H03M,H03N), C03V(H03O,H03P), C03X(H03Q,
 H03R), C64(H64A,H64B), C6(H6A,H6B), C24(H24A,H24B), C26(H26A,H26B), C33(H33A,
 H33B), C98(H98A,H98B), C108(H10A,H10B), C124(H12A,H12B), C136(H13A,H13B),
 C175(H17A,H17B), C191(H19A,H19B), C70(H70A,H70B), C72(H72A,H72B), C8(H8A,H8B),
 C4(H4A,H4B), C5(H5A,H5B), C62(H62A,H62B), C51(H51A,H51B), C119(H11A,H11B),
 C11(H11C,H11D), C16(H16A,H16B), C69(H69A,H69B), C19(H19C,H19D), C14(H14A,H14B),
  C15(H15A,H15B), C22(H22A,H22B), C28(H28A,H28B), C32(H32A,H32B), C31(H31A,
 H31B), C39(H39A,H39B), C35(H35A,H35B), C34(H34A,H34B), C37(H37A,H37B),
 C80(H80A,H80B), C44(H44A,H44B), C45(H45A,H45B), C41(H41A,H41B), C92(H92A,H92B),
  C101(H10C,H10D), C111(H11E,H11F), C44A(H44C,H44D), C45A(H45C,H45D), C41A(H41C,
 H41D), C46(H46A,H46B), C1A(H1AA,H1AB), C92A(H92C,H92D), C53(H53A,H53B),
 C59(H59A,H59B), C78(H78A,H78B), C54(H54A,H54B), C48(H48A,H48B), C192(H19E,
 H19F), C61(H61A,H61B), C68(H68A,H68B), C63(H63A,H63B), C66(H66A,H66B),
 C60(H60A,H60B), C57(H57A,H57B), C83(H83A,H83B), C71(H71A,H71B), C81(H81A,H81B),
  C76(H76A,H76B), C73(H73A,H73B), C93(H93A,H93B), C97(H97A,H97B), C99(H99A,
 H99B), C109(H10E,H10F), C103(H10G,H10H), C112(H11G,H11H), C107(H10I,H10J),
 C349(H34C,H34D), C377(H37C,H37D), C198(H19G,H19H), C132(H13C,H13D), C167(H16C,
 H16D), C358(H35C,H35D)
6.c Aromatic/amide H refined with riding coordinates:
 C86(H86), C87(H87), C88(H88), C118(H118), C90(H90), C79(H79), C84(H84),
 C100(H100), C91(H91), C55(H55), C189(H189), C56(H56), C9(H9), C115(H115)
6.d Fitted hexagon refined as free rotating group:
 C030(C86,C87,C88,C118,N85), C75(C90,C79,C84,C100,C91), C2(C55,C189,C56,C9,C115)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au01 Au 0.44823(5) 0.34569(3) 0.22940(2) 0.02819(19) Uani 1 1 d . . . . .
Au02 Au 0.36008(5) 0.39791(3) 0.26230(2) 0.0309(2) Uani 1 1 d . . . . .
Au03 Au 0.59457(5) 0.37485(3) 0.22303(2) 0.0321(2) Uani 1 1 d . . . . .
Au04 Au 0.29923(5) 0.32024(3) 0.23268(2) 0.0297(2) Uani 1 1 d . . . . .
Au05 Au 0.57225(5) 0.30978(3) 0.27038(2) 0.0327(2) Uani 1 1 d . . . . .
Au06 Au 0.39740(5) 0.31756(3) 0.29637(2) 0.0331(2) Uani 1 1 d . . . . .
Au07 Au 0.43416(5) 0.26266(3) 0.24125(2) 0.0317(2) Uani 1 1 d . . . . .
Au08 Au 0.54334(5) 0.29132(3) 0.19853(2) 0.0322(2) Uani 1 1 d . . . . .
Au09 Au 0.46627(5) 0.42935(3) 0.21732(2) 0.0332(2) Uani 1 1 d . . . . .
Au0A Au 0.54649(5) 0.28730(3) 0.33469(2) 0.0338(2) Uani 1 1 d . . . . .
Au0B Au 0.32984(5) 0.38358(3) 0.18674(2) 0.0360(2) Uani 1 1 d . . . . .
Au0C Au 0.48585(5) 0.36910(3) 0.16502(2) 0.0339(2) Uani 1 1 d . . . . .
Au0D Au 0.50243(5) 0.37835(3) 0.30234(2) 0.0370(2) Uani 1 1 d . . . . .
Au0E Au 0.63945(5) 0.23974(3) 0.29755(2) 0.0371(2) Uani 1 1 d . . . . .
Au0F Au 0.53310(5) 0.23056(3) 0.39747(2) 0.0361(2) Uani 1 1 d . . . . .
Au0G Au 0.69261(5) 0.31437(3) 0.32379(2) 0.0360(2) Uani 1 1 d . . . . .
Au0H Au 0.46117(5) 0.34079(3) 0.36701(2) 0.0371(2) Uani 1 1 d . . . . .
Au0I Au 0.49562(5) 0.19586(3) 0.31398(2) 0.0361(2) Uani 1 1 d . . . . .
Au0J Au 0.40763(5) 0.26327(3) 0.34950(2) 0.0359(2) Uani 1 1 d . . . . .
Au0K Au 0.65022(5) 0.39719(3) 0.29347(2) 0.0381(2) Uani 1 1 d . . . . .
Au0L Au 0.61648(5) 0.37879(3) 0.35931(2) 0.0371(2) Uani 1 1 d . . . . .
Au0M Au 0.25362(5) 0.25871(3) 0.29445(2) 0.0369(2) Uani 1 1 d . . . . .
Au0N Au 0.38622(5) 0.42870(3) 0.34181(2) 0.0377(2) Uani 1 1 d . . . . .
Au0O Au 0.58375(5) 0.31522(3) 0.42500(2) 0.0389(2) Uani 1 1 d . . . . .
Au0P Au 0.66850(5) 0.21354(3) 0.22407(2) 0.0390(2) Uani 1 1 d . . . . .
Au0Q Au 0.56438(6) 0.44977(3) 0.32884(2) 0.0420(2) Uani 1 1 d . . . . .
Au0R Au 0.51093(6) 0.50958(3) 0.27419(3) 0.0455(3) Uani 1 1 d . . . . .
Cd0S Cd 0.37875(7) 0.29773(4) 0.17401(3) 0.0221(3) Uani 1 1 d . . . . .
Cd0T Cd 0.32104(9) 0.36265(5) 0.09664(4) 0.0411(4) Uani 1 1 d . . . . .
S0U S 0.4840(3) 0.50141(16) 0.21534(14) 0.0354(13) Uani 1 1 d . . . . .
S0V S 0.3090(3) 0.45289(16) 0.29266(13) 0.0342(12) Uani 1 1 d . . . . .
S00W S 0.4030(3) 0.19921(16) 0.26553(13) 0.0355(13) Uani 1 1 d D . . . .
S0X S 0.6199(3) 0.24329(17) 0.17155(13) 0.0334(12) Uani 1 1 d . . . . .
S0Y S 0.1837(3) 0.29043(16) 0.24670(13) 0.0344(12) Uani 1 1 d . . . . .
S0Z S 0.4840(3) 0.27258(17) 0.43793(13) 0.0415(14) Uani 1 1 d . . . . .
S010 S 0.6855(3) 0.35433(18) 0.41186(14) 0.0443(15) Uani 1 1 d . . . . .
S011 S 0.7251(3) 0.38908(15) 0.24665(14) 0.0353(13) Uani 1 1 d . . . . .
S012 S 0.2645(3) 0.41457(16) 0.13617(13) 0.0351(13) Uani 1 1 d . . . . .
S13 S 0.3026(3) 0.21647(17) 0.33999(14) 0.0402(14) Uani 1 1 d . . . . .
S014 S 0.4693(3) 0.37034(18) 0.10500(14) 0.0404(14) Uani 1 1 d . . . . .
S15 S 0.6853(3) 0.17779(17) 0.27572(15) 0.0389(13) Uani 1 1 d . . . . .
S16 S 0.3001(3) 0.28818(17) 0.11718(13) 0.0396(13) Uani 1 1 d . . . . .
S017 S 0.5829(3) 0.18131(17) 0.36282(14) 0.0398(13) Uani 1 1 d . . . . .
S018 S 0.4478(3) 0.40604(18) 0.39476(14) 0.0426(14) Uani 1 1 d . . . . .
P019 P 0.8182(3) 0.31958(18) 0.35139(14) 0.0399(14) Uani 1 1 d . . . . .
S01A S 0.5318(3) 0.51912(18) 0.33352(15) 0.0475(15) Uani 1 1 d . . . . .
Cl1B Cl 0.2627(4) 0.3743(2) 0.03630(15) 0.067(2) Uani 1 1 d . . . . .
C01C C 0.6941(11) 0.4735(6) 0.2364(6) 0.042(6) Uani 1 1 d . U . . .
H01A H 0.683888 0.474685 0.260958 0.051 Uiso 1 1 calc R U . . .
H01B H 0.645422 0.465781 0.221554 0.051 Uiso 1 1 calc R U . . .
C01D C 0.2023(11) 0.3907(6) 0.2998(6) 0.042(6) Uani 1 1 d . U . . .
H01C H 0.239420 0.378257 0.318540 0.050 Uiso 1 1 calc R U . . .
H01D H 0.213314 0.379480 0.277185 0.050 Uiso 1 1 calc R U . . .
C01E C 0.7569(11) 0.4430(6) 0.2323(5) 0.030(5) Uani 1 1 d . U . . .
C01I C 0.0505(11) 0.4165(6) 0.1751(5) 0.031(5) Uani 1 1 d . U . . .
H01I H 0.036752 0.425929 0.198172 0.038 Uiso 1 1 calc R U . . .
C01K C 0.7251(12) 0.5162(7) 0.2246(5) 0.039(5) Uani 1 1 d . U . . .
H01K H 0.686183 0.538378 0.227108 0.046 Uiso 1 1 calc R U . . .
C01M C 0.4457(13) 0.4571(6) 0.1062(6) 0.062(3) Uani 1 1 d D U . . .
H01E H 0.455767 0.457219 0.131929 0.075 Uiso 1 1 calc R U . . .
H01F H 0.390072 0.450694 0.099305 0.075 Uiso 1 1 calc R U . . .
C01O C 0.1395(10) 0.4204(6) 0.1740(4) 0.028(5) Uani 1 1 d . U . . .
H01G H 0.168138 0.402507 0.192021 0.033 Uiso 1 1 calc R U . . .
H01H H 0.156348 0.449279 0.178635 0.033 Uiso 1 1 calc R U . . .
C01P C 0.1472(12) 0.2477(7) 0.2171(5) 0.038(5) Uani 1 1 d . U . . .
C01Q C 0.7704(12) 0.4379(6) 0.1965(5) 0.038(5) Uani 1 1 d . U . . .
H01J H 0.721690 0.430241 0.181725 0.045 Uiso 1 1 calc R U . . .
H01L H 0.809491 0.416123 0.194605 0.045 Uiso 1 1 calc R U . . .
C01R C 0.7398(13) 0.5130(7) 0.1881(6) 0.053(7) Uani 1 1 d . U . . .
H01M H 0.756448 0.540205 0.180085 0.064 Uiso 1 1 calc R U . . .
H01N H 0.691419 0.505003 0.173295 0.064 Uiso 1 1 calc R U . . .
C01S C 0.1341(11) 0.3635(6) 0.1318(5) 0.039(5) Uani 1 1 d . U . . .
H01O H 0.164357 0.346506 0.150056 0.046 Uiso 1 1 calc R U . . .
H01P H 0.146759 0.354001 0.108895 0.046 Uiso 1 1 calc R U . . .
C01T C 0.5495(11) 0.1334(7) 0.3803(5) 0.032(5) Uani 1 1 d . U . . .
C01U C 0.2072(11) 0.2270(7) 0.1994(5) 0.043(6) Uani 1 1 d . U . . .
H01Q H 0.247754 0.216026 0.217386 0.052 Uiso 1 1 calc R U . . .
H01R H 0.231981 0.247919 0.185785 0.052 Uiso 1 1 calc R U . . .
C01V C 0.0457(11) 0.3569(7) 0.1335(5) 0.033(5) Uani 1 1 d . U . . .
H01V H 0.031104 0.327252 0.129486 0.040 Uiso 1 1 calc R U . . .
C01W C 0.7676(12) 0.3485(7) 0.1357(5) 0.046(6) Uani 1 1 d . U . . .
H01S H 0.805455 0.366353 0.125773 0.055 Uiso 1 1 calc R U . . .
H01T H 0.728894 0.366583 0.144815 0.055 Uiso 1 1 calc R U . . .
C01X C 0.1538(11) 0.4535(7) 0.2688(5) 0.039(5) Uani 1 1 d . U . . .
H01U H 0.165348 0.439630 0.247189 0.046 Uiso 1 1 calc R U . . .
H01W H 0.157929 0.483663 0.265621 0.046 Uiso 1 1 calc R U . . .
C01Y C 0.8735(11) 0.4909(6) 0.2070(5) 0.037(5) Uani 1 1 d . U . . .
H01X H 0.894790 0.517502 0.199961 0.044 Uiso 1 1 calc R U . . .
H01Y H 0.912133 0.469046 0.204517 0.044 Uiso 1 1 calc R U . . .
C01Z C 0.7407(10) 0.3003(5) 0.1816(4) 0.041(6) Uani 1 1 d D U . . .
H01Z H 0.763245 0.283766 0.201941 0.049 Uiso 1 1 calc R U . . .
H H 0.704817 0.320851 0.189711 0.049 Uiso 1 1 calc R U . . .
C020 C 0.4660(12) 0.1315(7) 0.3833(6) 0.049(6) Uani 1 1 d . U . . .
H02A H 0.435942 0.134127 0.359874 0.059 Uiso 1 1 calc R U . . .
H02B H 0.451756 0.154843 0.397737 0.059 Uiso 1 1 calc R U . . .
C022 C 0.8011(10) 0.5253(6) 0.2482(5) 0.035(5) Uani 1 1 d . U . . .
H02C H 0.821519 0.552466 0.242062 0.042 Uiso 1 1 calc R U . . .
H02D H 0.791168 0.526442 0.272851 0.042 Uiso 1 1 calc R U . . .
C023 C 0.1570(11) 0.4069(6) 0.1368(5) 0.032(5) Uani 1 1 d . U . . .
C026 C 0.7851(8) 0.1668(5) 0.2941(4) 0.076(3) Uani 1 1 d D U . . .
C02C C 0.6628(10) 0.2982(5) 0.1224(4) 0.035(5) Uani 1 1 d D U . . .
H02E H 0.635061 0.279213 0.104998 0.042 Uiso 1 1 calc R U . . .
H02F H 0.624949 0.318589 0.129084 0.042 Uiso 1 1 calc R U . . .
C02D C 0.5976(13) 0.1266(8) 0.4172(6) 0.056(7) Uani 1 1 d . U . . .
H02G H 0.589203 0.150011 0.432736 0.068 Uiso 1 1 calc R U . . .
H02H H 0.653677 0.125141 0.414928 0.068 Uiso 1 1 calc R U . . .
C02F C 0.0506(11) 0.4599(7) 0.3079(5) 0.038(5) Uani 1 1 d . U . . .
H02I H -0.003473 0.452563 0.310838 0.046 Uiso 1 1 calc R U . . .
H02J H 0.054493 0.490292 0.306698 0.046 Uiso 1 1 calc R U . . .
C02H C 0.0278(11) 0.3711(6) 0.1687(5) 0.035(5) Uani 1 1 d . U . . .
H02K H 0.056544 0.353742 0.187062 0.042 Uiso 1 1 calc R U . . .
H02L H -0.028345 0.367710 0.169955 0.042 Uiso 1 1 calc R U . . .
C02I C 0.7530(10) 0.2403(5) 0.1423(5) 0.040(5) Uani 1 1 d D U . . .
H02M H 0.724217 0.222540 0.124258 0.048 Uiso 1 1 calc R U . . .
H02N H 0.775953 0.222728 0.161874 0.048 Uiso 1 1 calc R U . . .
C02L C 0.8584(12) 0.4934(7) 0.2443(5) 0.040(6) Uani 1 1 d . U . . .
H02O H 0.907918 0.500075 0.259435 0.048 Uiso 1 1 calc R U . . .
C02M C 0.5675(14) 0.0968(7) 0.3578(6) 0.061(7) Uani 1 1 d . U . . .
H02P H 0.539392 0.100490 0.334092 0.074 Uiso 1 1 calc R U . . .
H02Q H 0.623780 0.096824 0.355826 0.074 Uiso 1 1 calc R U . . .
C02N C 0.0096(12) 0.4412(7) 0.1467(5) 0.041(6) Uani 1 1 d . U . . .
H02R H 0.023909 0.470562 0.150823 0.049 Uiso 1 1 calc R U . . .
H02S H -0.046882 0.438791 0.147598 0.049 Uiso 1 1 calc R U . . .
C02O C 0.6981(12) 0.2732(7) 0.1553(5) 0.041(6) Uani 1 1 d . U . . .
C02P C 0.1878(12) 0.4580(7) 0.3337(5) 0.046(6) Uani 1 1 d . U . . .
H02T H 0.190619 0.488474 0.332468 0.055 Uiso 1 1 calc R U . . .
H02U H 0.223751 0.448592 0.354100 0.055 Uiso 1 1 calc R U . . .
C02Q C 0.8292(11) 0.4526(6) 0.2546(5) 0.035(5) Uani 1 1 d . U . . .
H02V H 0.868383 0.430964 0.252156 0.041 Uiso 1 1 calc R U . . .
H02W H 0.819804 0.453432 0.279319 0.041 Uiso 1 1 calc R U . . .
C02R C 0.3918(9) 0.5290(5) 0.2044(4) 0.047(3) Uani 1 1 d D U . . .
C02U C 0.4960(11) 0.4236(7) 0.0916(5) 0.062(3) Uani 1 1 d D U . . .
C02V C 0.2112(13) 0.4390(8) 0.3002(6) 0.048(6) Uani 1 1 d . U . . .
C02Y C 0.1102(11) 0.2131(7) 0.2370(5) 0.041(6) Uani 1 1 d . U . . .
H02X H 0.149960 0.201041 0.254778 0.050 Uiso 1 1 calc R U . . .
H02Y H 0.068389 0.224796 0.249056 0.050 Uiso 1 1 calc R U . . .
C02Z C 0.1136(11) 0.4336(7) 0.1081(5) 0.040(5) Uani 1 1 d . U . . .
H02Z H 0.126825 0.424747 0.085129 0.048 Uiso 1 1 calc R U . . .
HA H 0.129094 0.462826 0.111761 0.048 Uiso 1 1 calc R U . . .
C030 C 0.8299(8) 0.2825(4) 0.3859(3) 0.053(3) Uani 1 1 d G U . . .
C86 C 0.7668(6) 0.2592(5) 0.3933(3) 0.054(3) Uani 1 1 d G U . . .
H86 H 0.717104 0.263517 0.380494 0.065 Uiso 1 1 calc R U . . .
C87 C 0.7766(7) 0.2297(4) 0.4196(4) 0.054(3) Uani 1 1 d G U . . .
H87 H 0.733510 0.213801 0.424712 0.065 Uiso 1 1 calc R U . . .
C88 C 0.8494(9) 0.2234(4) 0.4384(3) 0.054(3) Uani 1 1 d G U . . .
H88 H 0.856032 0.203234 0.456367 0.065 Uiso 1 1 calc R U . . .
C118 C 0.9124(6) 0.2467(5) 0.4310(3) 0.055(3) Uani 1 1 d G U . . .
H118 H 0.962149 0.242384 0.443805 0.066 Uiso 1 1 calc R U . . .
N85 N 0.9027(7) 0.2762(4) 0.4047(4) 0.055(3) Uani 1 1 d G U . . .
C032 C 0.1145(12) 0.3797(7) 0.3059(5) 0.045(6) Uani 1 1 d . U . . .
H032 H 0.108836 0.348988 0.306535 0.054 Uiso 1 1 calc R U . . .
C034 C 0.8087(13) 0.3236(7) 0.1649(6) 0.051(6) Uani 1 1 d . U . . .
H034 H 0.838535 0.342032 0.182506 0.061 Uiso 1 1 calc R U . . .
C036 C 0.1783(12) 0.1927(7) 0.1757(5) 0.040(5) Uani 1 1 d . U . . .
H036 H 0.222699 0.180242 0.165310 0.048 Uiso 1 1 calc R U . . .
C037 C 0.8190(11) 0.1337(6) 0.2722(5) 0.076(3) Uani 1 1 d D U . . .
H03A H 0.816570 0.143235 0.247738 0.091 Uiso 1 1 calc R U . . .
H03B H 0.788354 0.107978 0.272372 0.091 Uiso 1 1 calc R U . . .
C038 C 0.0709(12) 0.4418(6) 0.2765(5) 0.038(5) Uani 1 1 d . U . . .
H038 H 0.033216 0.452401 0.256761 0.045 Uiso 1 1 calc R U . . .
C03A C 0.0023(12) 0.3847(7) 0.1050(5) 0.045(6) Uani 1 1 d . U . . .
H03C H 0.012465 0.374641 0.081856 0.054 Uiso 1 1 calc R U . . .
H03D H -0.054239 0.382506 0.106010 0.054 Uiso 1 1 calc R U . . .
C03C C 0.1036(12) 0.4443(7) 0.3375(5) 0.041(6) Uani 1 1 d . U . . .
H03E H 0.088832 0.457391 0.359129 0.049 Uiso 1 1 calc R U . . .
C03D C 0.0875(10) 0.2649(6) 0.1888(5) 0.031(5) Uani 1 1 d . U . . .
H03F H 0.111552 0.287097 0.176249 0.037 Uiso 1 1 calc R U . . .
H03G H 0.044196 0.277115 0.199590 0.037 Uiso 1 1 calc R U . . .
C03F C 0.0622(12) 0.3955(7) 0.2774(5) 0.045(6) Uani 1 1 d . U . . .
H03H H 0.008100 0.388162 0.280395 0.054 Uiso 1 1 calc R U . . .
H03I H 0.074183 0.383387 0.255242 0.054 Uiso 1 1 calc R U . . .
C03G C 0.8014(14) 0.4817(8) 0.1847(7) 0.065(8) Uani 1 1 d . U . . .
H03J H 0.811421 0.480174 0.159845 0.078 Uiso 1 1 calc R U . . .
C03H C 0.0263(12) 0.4292(7) 0.1090(6) 0.044(6) Uani 1 1 d . U . . .
H03K H -0.003938 0.446895 0.090871 0.053 Uiso 1 1 calc R U . . .
C03K C 0.7257(13) 0.3203(8) 0.1064(6) 0.052(6) Uani 1 1 d . U . . .
H03L H 0.702564 0.337481 0.086167 0.063 Uiso 1 1 calc R U . . .
C03N C 0.8610(13) 0.2915(8) 0.1526(6) 0.063(7) Uani 1 1 d . U . . .
H03M H 0.903889 0.305122 0.142445 0.076 Uiso 1 1 calc R U . . .
H03N H 0.883956 0.274625 0.172687 0.076 Uiso 1 1 calc R U . . .
C03V C 0.0161(12) 0.2004(7) 0.1835(6) 0.049(6) Uani 1 1 d . U . . .
H03O H -0.007278 0.178361 0.167836 0.059 Uiso 1 1 calc R U . . .
H03P H -0.025925 0.213865 0.194452 0.059 Uiso 1 1 calc R U . . .
C03X C 0.0990(13) 0.3975(7) 0.3418(6) 0.055(7) Uani 1 1 d . U . . .
H03Q H 0.047091 0.389192 0.347213 0.066 Uiso 1 1 calc R U . . .
H03R H 0.138728 0.387771 0.360662 0.066 Uiso 1 1 calc R U . . .
C03Z C 0.3541(10) 0.2519(5) 0.0925(5) 0.097(3) Uani 1 1 d D U . . .
C7 C 0.4641(11) 0.5001(7) 0.0921(5) 0.064(3) Uani 1 1 d D U . . .
H7 H 0.430927 0.521682 0.101329 0.077 Uiso 1 1 calc R U . . .
C64 C 0.4892(14) 0.4256(7) 0.0514(5) 0.065(3) Uani 1 1 d D U . . .
H64A H 0.525575 0.405462 0.043124 0.078 Uiso 1 1 calc R U . . .
H64B H 0.435896 0.417747 0.041388 0.078 Uiso 1 1 calc R U . . .
C110 C 0.5076(11) 0.4692(6) 0.0385(6) 0.067(3) Uani 1 1 d D U . . .
H110 H 0.504041 0.469990 0.012514 0.080 Uiso 1 1 calc R U . . .
C1 C 0.6086(13) 0.4750(6) 0.0961(5) 0.064(3) Uani 1 1 d D U . . .
H1 H 0.663753 0.481290 0.105391 0.077 Uiso 1 1 calc R U . . .
C6 C 0.5925(11) 0.4750(8) 0.0558(5) 0.066(3) Uani 1 1 d D U . . .
H6A H 0.624189 0.452800 0.047129 0.080 Uiso 1 1 calc R U . . .
H6B H 0.611606 0.501497 0.047395 0.080 Uiso 1 1 calc R U . . .
C24 C 0.5503(10) 0.5064(7) 0.1070(6) 0.064(3) Uani 1 1 d D U . . .
H24A H 0.566289 0.534231 0.100084 0.076 Uiso 1 1 calc R U . . .
H24B H 0.554097 0.506113 0.132772 0.076 Uiso 1 1 calc R U . . .
C26 C 0.5810(11) 0.4321(7) 0.1067(6) 0.063(3) Uani 1 1 d D U . . .
H26A H 0.614712 0.410662 0.098258 0.075 Uiso 1 1 calc R U . . .
H26B H 0.586317 0.430308 0.132413 0.075 Uiso 1 1 calc R U . . .
C33 C 0.4587(13) 0.5034(7) 0.0521(5) 0.067(3) Uani 1 1 d D U . . .
H33A H 0.403896 0.500652 0.041570 0.080 Uiso 1 1 calc R U . . .
H33B H 0.477893 0.530717 0.045601 0.080 Uiso 1 1 calc R U . . .
C21 C 0.3836(10) 0.1754(4) 0.0833(5) 0.099(3) Uani 1 1 d D U . . .
H21 H 0.377040 0.146728 0.092030 0.119 Uiso 1 1 calc R U . . .
C27 C 0.4805(8) 0.2293(6) 0.0711(5) 0.099(3) Uani 1 1 d D U . . .
H27 H 0.537343 0.235262 0.073129 0.119 Uiso 1 1 calc R U . . .
C98 C 0.4686(10) 0.1876(7) 0.0878(5) 0.099(3) Uani 1 1 d D U . . .
H98A H 0.498798 0.166362 0.077065 0.119 Uiso 1 1 calc R U . . .
H98B H 0.488242 0.188944 0.112981 0.119 Uiso 1 1 calc R U . . .
C108 C 0.4424(9) 0.2595(5) 0.0947(5) 0.099(3) Uani 1 1 d D U . . .
H10A H 0.451757 0.288180 0.087509 0.119 Uiso 1 1 calc R U . . .
H10B H 0.466644 0.256052 0.119134 0.119 Uiso 1 1 calc R U . . .
C124 C 0.3201(9) 0.2533(5) 0.0540(5) 0.100(3) Uani 1 1 d D U . . .
H12A H 0.326043 0.281530 0.044844 0.120 Uiso 1 1 calc R U . . .
H12B H 0.263963 0.246974 0.051769 0.120 Uiso 1 1 calc R U . . .
C134 C 0.3601(9) 0.2224(6) 0.0320(3) 0.099(3) Uani 1 1 d D U . . .
H134 H 0.334879 0.224087 0.007305 0.119 Uiso 1 1 calc R U . . .
C136 C 0.3449(10) 0.2069(6) 0.1052(4) 0.099(3) Uani 1 1 d D U . . .
H13A H 0.368145 0.204594 0.129832 0.119 Uiso 1 1 calc R U . . .
H13B H 0.288942 0.200307 0.103926 0.119 Uiso 1 1 calc R U . . .
C175 C 0.4468(11) 0.2292(7) 0.0326(5) 0.100(3) Uani 1 1 d D U . . .
H17A H 0.456980 0.255854 0.021567 0.120 Uiso 1 1 calc R U . . .
H17B H 0.469947 0.206735 0.020025 0.120 Uiso 1 1 calc R U . . .
C191 C 0.3421(11) 0.1805(5) 0.0467(5) 0.100(3) Uani 1 1 d D U . . .
H19A H 0.285453 0.177824 0.047023 0.120 Uiso 1 1 calc R U . . .
H19B H 0.358756 0.158395 0.031625 0.120 Uiso 1 1 calc R U . . .
C70 C 0.1413(12) 0.1611(7) 0.1948(5) 0.044(6) Uani 1 1 d . U . . .
H70A H 0.180391 0.147837 0.212176 0.053 Uiso 1 1 calc R U . . .
H70B H 0.118247 0.139545 0.178467 0.053 Uiso 1 1 calc R U . . .
C72 C 0.1183(11) 0.2122(7) 0.1455(5) 0.038(5) Uani 1 1 d . U . . .
H72A H 0.144307 0.232961 0.132293 0.046 Uiso 1 1 calc R U . . .
H72B H 0.096318 0.190395 0.129162 0.046 Uiso 1 1 calc R U . . .
C135 C 0.0785(12) 0.1809(7) 0.2130(5) 0.045(6) Uani 1 1 d . U . . .
H135 H 0.052960 0.159367 0.226150 0.054 Uiso 1 1 calc R U . . .
C152 C 0.0556(12) 0.2319(7) 0.1628(6) 0.047(6) Uani 1 1 d . U . . .
H152 H 0.016370 0.244550 0.144694 0.057 Uiso 1 1 calc R U . . .
C3 C 0.2417(9) 0.2201(6) 0.3751(4) 0.085(3) Uani 1 1 d D U . . .
C8 C 0.1570(10) 0.2140(7) 0.3589(4) 0.085(4) Uani 1 1 d D U . . .
H8A H 0.150368 0.186707 0.347323 0.102 Uiso 1 1 calc R U . . .
H8B H 0.141451 0.235700 0.341365 0.102 Uiso 1 1 calc R U . . .
C18 C 0.2019(11) 0.2628(5) 0.4247(5) 0.086(3) Uani 1 1 d D U . . .
H18 H 0.209566 0.289774 0.437247 0.103 Uiso 1 1 calc R U . . .
C4 C 0.2491(12) 0.2622(6) 0.3936(5) 0.085(4) Uani 1 1 d D U . . .
H4A H 0.230007 0.284169 0.376864 0.102 Uiso 1 1 calc R U . . .
H4B H 0.304391 0.267777 0.401915 0.102 Uiso 1 1 calc R U . . .
C5 C 0.2659(9) 0.1858(6) 0.4013(5) 0.086(4) Uani 1 1 d D U . . .
H5A H 0.320817 0.189815 0.411243 0.104 Uiso 1 1 calc R U . . .
H5B H 0.261546 0.158821 0.389222 0.104 Uiso 1 1 calc R U . . .
C62 C 0.2238(13) 0.2272(7) 0.4503(4) 0.086(4) Uani 1 1 d D U . . .
H62A H 0.278321 0.230436 0.461072 0.103 Uiso 1 1 calc R U . . .
H62B H 0.190126 0.227788 0.469025 0.103 Uiso 1 1 calc R U . . .
C123 C 0.2142(10) 0.1859(6) 0.4309(4) 0.087(3) Uani 1 1 d D U . . .
H123 H 0.229302 0.162662 0.447429 0.104 Uiso 1 1 calc R U . . .
C43 C 0.1075(8) 0.2167(6) 0.3892(5) 0.086(3) Uani 1 1 d D U . . .
H43 H 0.051749 0.213305 0.379344 0.104 Uiso 1 1 calc R U . . .
C51 C 0.1298(10) 0.1808(6) 0.4145(5) 0.088(4) Uani 1 1 d D U . . .
H51A H 0.095236 0.180580 0.432920 0.105 Uiso 1 1 calc R U . . .
H51B H 0.123486 0.154258 0.401760 0.105 Uiso 1 1 calc R U . . .
C119 C 0.1160(11) 0.2578(7) 0.4094(7) 0.087(4) Uani 1 1 d D U . . .
H11A H 0.082794 0.257561 0.428394 0.104 Uiso 1 1 calc R U . . .
H11B H 0.099617 0.281080 0.393595 0.104 Uiso 1 1 calc R U . . .
C11 C 0.4610(13) 0.0549(8) 0.3746(6) 0.062(7) Uani 1 1 d . U . . .
H11C H 0.445138 0.028050 0.383681 0.074 Uiso 1 1 calc R U . . .
H11D H 0.430935 0.059533 0.351409 0.074 Uiso 1 1 calc R U . . .
C16 C 0.4892(13) 0.0845(8) 0.4348(6) 0.056(7) Uani 1 1 d . U . . .
H16A H 0.476746 0.107149 0.450354 0.067 Uiso 1 1 calc R U . . .
H16B H 0.473586 0.058164 0.444776 0.067 Uiso 1 1 calc R U . . .
C17 C 0.5694(14) 0.0840(7) 0.4333(6) 0.054(7) Uani 1 1 d . U . . .
H17 H 0.597178 0.080481 0.457396 0.065 Uiso 1 1 calc R U . . .
C10 C 0.4451(14) 0.0904(8) 0.4000(6) 0.056(7) Uani 1 1 d . U . . .
H10 H 0.388481 0.090623 0.402424 0.067 Uiso 1 1 calc R U . . .
C29 C 0.5458(14) 0.0546(8) 0.3717(7) 0.062(7) Uani 1 1 d . U . . .
H29 H 0.559849 0.031606 0.356514 0.074 Uiso 1 1 calc R U . . .
C69 C 0.5925(14) 0.0510(8) 0.4113(6) 0.065(8) Uani 1 1 d . U . . .
H69A H 0.581278 0.023985 0.421456 0.079 Uiso 1 1 calc R U . . .
H69B H 0.649098 0.052638 0.410278 0.079 Uiso 1 1 calc R U . . .
C19 C 0.5981(7) 0.2370(6) 0.4873(4) 0.053(3) Uani 1 1 d D U . . .
H19C H 0.630567 0.262168 0.487402 0.064 Uiso 1 1 calc R U . . .
H19D H 0.611692 0.218556 0.468662 0.064 Uiso 1 1 calc R U . . .
C12 C 0.5111(8) 0.2492(5) 0.4798(4) 0.054(3) Uani 1 1 d D U . . .
C14 C 0.4629(9) 0.2091(5) 0.4814(5) 0.055(3) Uani 1 1 d D U . . .
H14A H 0.407024 0.216110 0.476670 0.066 Uiso 1 1 calc R U . . .
H14B H 0.475023 0.190146 0.462787 0.066 Uiso 1 1 calc R U . . .
C15 C 0.4923(10) 0.2774(5) 0.5096(4) 0.056(3) Uani 1 1 d D U . . .
H15A H 0.436513 0.284683 0.505455 0.067 Uiso 1 1 calc R U . . .
H15B H 0.522362 0.303227 0.508922 0.067 Uiso 1 1 calc R U . . .
C22 C 0.5649(10) 0.1755(6) 0.5239(6) 0.056(3) Uani 1 1 d D U . . .
H22A H 0.578113 0.155815 0.505944 0.067 Uiso 1 1 calc R U . . .
H22B H 0.576106 0.161996 0.546930 0.067 Uiso 1 1 calc R U . . .
C23 C 0.6153(12) 0.2149(6) 0.5231(4) 0.055(3) Uani 1 1 d D U . . .
H23 H 0.671485 0.207340 0.527560 0.066 Uiso 1 1 calc R U . . .
C20 C 0.4779(11) 0.1865(7) 0.5168(4) 0.056(3) Uani 1 1 d D U . . .
H20 H 0.444397 0.161463 0.517344 0.067 Uiso 1 1 calc R U . . .
C25 C 0.5100(10) 0.2583(6) 0.5463(5) 0.057(3) Uani 1 1 d D U . . .
H25 H 0.497071 0.277424 0.564987 0.068 Uiso 1 1 calc R U . . .
C28 C 0.5947(10) 0.2442(7) 0.5522(5) 0.056(3) Uani 1 1 d D U . . .
H28A H 0.604671 0.229843 0.574919 0.067 Uiso 1 1 calc R U . . .
H28B H 0.628860 0.268714 0.553183 0.067 Uiso 1 1 calc R U . . .
C32 C 0.4614(12) 0.2185(6) 0.5445(5) 0.058(3) Uani 1 1 d D U . . .
H32A H 0.405904 0.226320 0.539952 0.069 Uiso 1 1 calc R U . . .
H32B H 0.469738 0.205086 0.567650 0.069 Uiso 1 1 calc R U . . .
C31 C 0.4199(11) 0.3862(7) 0.4594(4) 0.050(6) Uani 1 1 d D U . . .
H31A H 0.447058 0.359897 0.455948 0.060 Uiso 1 1 calc R U . . .
H31B H 0.458280 0.406698 0.469835 0.060 Uiso 1 1 calc R U . . .
C40 C 0.2826(11) 0.4419(6) 0.4578(5) 0.061(7) Uani 1 1 d D U . . .
H40 H 0.260802 0.469667 0.462364 0.073 Uiso 1 1 calc R U . . .
C30 C 0.3760(11) 0.4022(5) 0.4244(5) 0.045(6) Uani 1 1 d D U . . .
C36 C 0.3546(11) 0.3797(6) 0.4827(5) 0.067(8) Uani 1 1 d D U . . .
H36 H 0.380035 0.367319 0.504977 0.081 Uiso 1 1 calc R U . . .
C39 C 0.2178(13) 0.4126(6) 0.4414(6) 0.083(9) Uani 1 1 d D U . . .
H39A H 0.192596 0.424669 0.419273 0.100 Uiso 1 1 calc R U . . .
H39B H 0.177961 0.409916 0.457382 0.100 Uiso 1 1 calc R U . . .
C35 C 0.3417(11) 0.4454(5) 0.4309(5) 0.043(6) Uani 1 1 d D U . . .
H35A H 0.315368 0.456644 0.408650 0.051 Uiso 1 1 calc R U . . .
H35B H 0.384076 0.464485 0.439805 0.051 Uiso 1 1 calc R U . . .
C34 C 0.3074(11) 0.3758(7) 0.4074(5) 0.057(7) Uani 1 1 d D U . . .
H34A H 0.326650 0.348789 0.400196 0.068 Uiso 1 1 calc R U . . .
H34B H 0.281191 0.389943 0.386444 0.068 Uiso 1 1 calc R U . . .
C38 C 0.2496(13) 0.3693(7) 0.4341(4) 0.069(8) Uani 1 1 d D U . . .
H38 H 0.205987 0.351314 0.423638 0.082 Uiso 1 1 calc R U . . .
C37 C 0.2865(13) 0.3506(6) 0.4693(6) 0.087(10) Uani 1 1 d D U . . .
H37A H 0.248041 0.349518 0.486050 0.105 Uiso 1 1 calc R U . . .
H37B H 0.305593 0.322307 0.465831 0.105 Uiso 1 1 calc R U . . .
C80 C 0.3245(15) 0.4227(7) 0.4922(4) 0.080(9) Uani 1 1 d D U . . .
H80A H 0.368353 0.440397 0.502112 0.096 Uiso 1 1 calc R U . . .
H80B H 0.287924 0.419919 0.509696 0.096 Uiso 1 1 calc R U . . .
C44 C 0.2229(12) 0.5443(7) 0.2043(6) 0.046(3) Uani 0.613(12) 1 d D U P A 1
H44A H 0.208207 0.520200 0.217757 0.056 Uiso 0.613(12) 1 calc R U P A 1
H44B H 0.175889 0.561119 0.197421 0.056 Uiso 0.613(12) 1 calc R U P A 1
C45 C 0.3020(14) 0.6087(6) 0.2055(6) 0.047(3) Uani 0.613(12) 1 d D U P A 1
H45A H 0.253601 0.624453 0.198742 0.056 Uiso 0.613(12) 1 calc R U P A 1
H45B H 0.339420 0.626895 0.219750 0.056 Uiso 0.613(12) 1 calc R U P A 1
C42 C 0.2849(13) 0.5703(7) 0.2268(4) 0.047(3) Uani 0.613(12) 1 d D U P A 1
H42 H 0.263738 0.579367 0.248445 0.056 Uiso 0.613(12) 1 calc R U P A 1
C41 C 0.3291(12) 0.5026(6) 0.1827(7) 0.047(3) Uani 0.613(12) 1 d D U P A 1
H41A H 0.349540 0.491706 0.161721 0.056 Uiso 0.613(12) 1 calc R U P A 1
H41B H 0.314909 0.478835 0.196690 0.056 Uiso 0.613(12) 1 calc R U P A 1
C92 C 0.3586(14) 0.5443(8) 0.2371(4) 0.046(3) Uani 0.613(12) 1 d D U P A 1
H92A H 0.398039 0.561189 0.251486 0.056 Uiso 0.613(12) 1 calc R U P A 1
H92B H 0.345940 0.520331 0.251203 0.056 Uiso 0.613(12) 1 calc R U P A 1
C96 C 0.2569(12) 0.5296(6) 0.1717(5) 0.047(3) Uani 0.613(12) 1 d D U P A 1
H96 H 0.217045 0.512609 0.157133 0.056 Uiso 0.613(12) 1 calc R U P A 1
C101 C 0.2764(14) 0.5674(7) 0.1503(4) 0.047(3) Uani 0.613(12) 1 d D U P A 1
H10C H 0.297892 0.558246 0.129079 0.057 Uiso 0.613(12) 1 calc R U P A 1
H10D H 0.228738 0.583581 0.143007 0.057 Uiso 0.613(12) 1 calc R U P A 1
C111 C 0.4081(12) 0.5669(7) 0.1822(7) 0.047(3) Uani 0.613(12) 1 d D U P A 1
H11E H 0.449848 0.583603 0.195321 0.056 Uiso 0.613(12) 1 calc R U P A 1
H11F H 0.426832 0.557312 0.160525 0.056 Uiso 0.613(12) 1 calc R U P A 1
C114 C 0.3362(11) 0.5944(6) 0.1727(6) 0.047(3) Uani 0.613(12) 1 d D U P A 1
H114 H 0.350023 0.618901 0.159032 0.056 Uiso 0.613(12) 1 calc R U P A 1
C44A C 0.260(2) 0.5805(11) 0.2098(10) 0.048(4) Uani 0.387(12) 1 d D U P A 2
H44C H 0.264905 0.582168 0.235540 0.057 Uiso 0.387(12) 1 calc R U P A 2
H44D H 0.213953 0.596825 0.200166 0.057 Uiso 0.387(12) 1 calc R U P A 2
C45A C 0.323(2) 0.5963(11) 0.1568(9) 0.048(4) Uani 0.387(12) 1 d D U P A 2
H45C H 0.275774 0.611944 0.147232 0.057 Uiso 0.387(12) 1 calc R U P A 2
H45D H 0.368045 0.608801 0.147734 0.057 Uiso 0.387(12) 1 calc R U P A 2
C42A C 0.3334(19) 0.5988(9) 0.1970(9) 0.048(3) Uani 0.387(12) 1 d D U P A 2
H42A H 0.339119 0.628383 0.204295 0.057 Uiso 0.387(12) 1 calc R U P A 2
C41A C 0.3190(15) 0.5097(13) 0.2162(11) 0.047(3) Uani 0.387(12) 1 d D U P A 2
H41C H 0.321359 0.511225 0.241908 0.057 Uiso 0.387(12) 1 calc R U P A 2
H41D H 0.314100 0.480446 0.209014 0.057 Uiso 0.387(12) 1 calc R U P A 2
C96A C 0.2488(17) 0.5353(11) 0.1983(9) 0.047(3) Uani 0.387(12) 1 d D U P A 2
H96A H 0.200009 0.524549 0.206139 0.057 Uiso 0.387(12) 1 calc R U P A 2
C46 C 0.243(2) 0.5314(13) 0.1587(9) 0.048(4) Uani 0.387(12) 1 d D U P A 2
H46A H 0.195016 0.545439 0.147821 0.057 Uiso 0.387(12) 1 calc R U P A 2
H46B H 0.239211 0.501935 0.152026 0.057 Uiso 0.387(12) 1 calc R U P A 2
C1A C 0.383(2) 0.5266(15) 0.1642(6) 0.047(3) Uani 0.387(12) 1 d D U P A 2
H1AA H 0.431677 0.537035 0.156354 0.057 Uiso 0.387(12) 1 calc R U P A 2
H1AB H 0.377536 0.497296 0.157203 0.057 Uiso 0.387(12) 1 calc R U P A 2
C1B C 0.314(2) 0.5511(11) 0.1454(8) 0.048(3) Uani 0.387(12) 1 d D U P A 2
H1B H 0.311632 0.548388 0.119498 0.057 Uiso 0.387(12) 1 calc R U P A 2
C92A C 0.406(2) 0.5746(8) 0.2125(12) 0.047(3) Uani 0.387(12) 1 d D U P A 2
H92C H 0.452003 0.584330 0.202228 0.056 Uiso 0.387(12) 1 calc R U P A 2
H92D H 0.415577 0.578875 0.238058 0.056 Uiso 0.387(12) 1 calc R U P A 2
C47 C 0.6110(14) 0.5518(7) 0.3436(6) 0.095(4) Uani 1 1 d D U . . .
C53 C 0.6410(15) 0.5502(9) 0.3830(6) 0.096(4) Uani 1 1 d D U . . .
H53A H 0.654904 0.521197 0.388970 0.115 Uiso 1 1 calc R U . . .
H53B H 0.597292 0.557642 0.395848 0.115 Uiso 1 1 calc R U . . .
C59 C 0.6850(13) 0.5369(9) 0.3291(7) 0.095(4) Uani 1 1 d D U . . .
H59A H 0.674193 0.536501 0.303330 0.114 Uiso 1 1 calc R U . . .
H59B H 0.695251 0.508046 0.336854 0.114 Uiso 1 1 calc R U . . .
C78 C 0.6052(15) 0.5972(7) 0.3312(8) 0.096(4) Uani 1 1 d D U . . .
H78A H 0.558106 0.609059 0.339314 0.116 Uiso 1 1 calc R U . . .
H78B H 0.595785 0.596765 0.305426 0.116 Uiso 1 1 calc R U . . .
C49 C 0.7603(15) 0.5624(8) 0.3395(6) 0.095(4) Uani 1 1 d D U . . .
H49 H 0.804669 0.550875 0.328404 0.114 Uiso 1 1 calc R U . . .
C54 C 0.7400(15) 0.6065(8) 0.3263(7) 0.096(4) Uani 1 1 d D U . . .
H54A H 0.726706 0.605479 0.300666 0.115 Uiso 1 1 calc R U . . .
H54B H 0.786942 0.623883 0.331428 0.115 Uiso 1 1 calc R U . . .
C52 C 0.6727(14) 0.6279(8) 0.3418(6) 0.097(4) Uani 1 1 d D U . . .
H52 H 0.662419 0.657238 0.334498 0.116 Uiso 1 1 calc R U . . .
C48 C 0.7820(15) 0.5670(10) 0.3793(6) 0.095(4) Uani 1 1 d D U . . .
H48A H 0.805038 0.540817 0.388999 0.114 Uiso 1 1 calc R U . . .
H48B H 0.821571 0.588948 0.384081 0.114 Uiso 1 1 calc R U . . .
C50 C 0.7115(14) 0.5777(8) 0.3973(7) 0.096(4) Uani 1 1 d D U . . .
H50 H 0.722553 0.577824 0.423269 0.115 Uiso 1 1 calc R U . . .
C192 C 0.6902(16) 0.6204(7) 0.3815(6) 0.097(4) Uani 1 1 d D U . . .
H19E H 0.733298 0.639254 0.390205 0.116 Uiso 1 1 calc R U . . .
H19F H 0.644129 0.629985 0.391813 0.116 Uiso 1 1 calc R U . . .
C75 C 0.8574(9) 0.3699(4) 0.3678(4) 0.058(3) Uani 1 1 d G U . . .
C90 C 0.8294(7) 0.4051(5) 0.3498(3) 0.060(3) Uani 1 1 d G U . . .
H90 H 0.787864 0.402918 0.331378 0.072 Uiso 1 1 calc R U . . .
C79 C 0.8622(9) 0.4433(4) 0.3588(4) 0.061(3) Uani 1 1 d G U . . .
H79 H 0.843049 0.467362 0.346500 0.073 Uiso 1 1 calc R U . . .
C84 C 0.9230(9) 0.4465(4) 0.3858(4) 0.061(3) Uani 1 1 d G U . . .
H84 H 0.945412 0.472624 0.391944 0.073 Uiso 1 1 calc R U . . .
C100 C 0.9510(7) 0.4113(5) 0.4038(3) 0.060(3) Uani 1 1 d G U . . .
H100 H 0.992591 0.413442 0.422265 0.072 Uiso 1 1 calc R U . . .
C91 C 0.9183(9) 0.3730(4) 0.3948(4) 0.059(3) Uani 1 1 d G U . . .
H91 H 0.937406 0.348998 0.407143 0.071 Uiso 1 1 calc R U . . .
C2 C 0.8839(7) 0.3076(4) 0.3206(3) 0.045(3) Uani 1 1 d G U . . .
C55 C 0.9619(8) 0.2998(5) 0.3317(3) 0.045(3) Uani 1 1 d G U . . .
H55 H 0.979791 0.297721 0.355847 0.054 Uiso 1 1 calc R U . . .
C189 C 1.0136(6) 0.2952(4) 0.3074(4) 0.047(3) Uani 1 1 d G U . . .
H189 H 1.066867 0.289882 0.314941 0.056 Uiso 1 1 calc R U . . .
C56 C 0.9873(7) 0.2983(4) 0.2720(3) 0.047(3) Uani 1 1 d G U . . .
H56 H 1.022699 0.295080 0.255345 0.056 Uiso 1 1 calc R U . . .
C9 C 0.9094(8) 0.3060(5) 0.2608(3) 0.047(3) Uani 1 1 d G U . . .
H9 H 0.891453 0.308116 0.236655 0.056 Uiso 1 1 calc R U . . .
C115 C 0.8577(6) 0.3107(4) 0.2851(4) 0.046(3) Uani 1 1 d G U . . .
H115 H 0.804375 0.315956 0.277560 0.055 Uiso 1 1 calc R U . . .
C61 C 0.4104(14) 0.1162(6) 0.2568(6) 0.070(3) Uani 1 1 d D U . . .
H61A H 0.445161 0.114754 0.279150 0.084 Uiso 1 1 calc R U . . .
H61B H 0.356071 0.114700 0.261815 0.084 Uiso 1 1 calc R U . . .
C67 C 0.4276(11) 0.0799(8) 0.2330(5) 0.071(3) Uani 1 1 d D U . . .
H67 H 0.418781 0.053067 0.244718 0.085 Uiso 1 1 calc R U . . .
C68 C 0.5126(12) 0.0826(7) 0.2256(6) 0.072(3) Uani 1 1 d D U . . .
H68A H 0.547779 0.082896 0.247819 0.086 Uiso 1 1 calc R U . . .
H68B H 0.525243 0.058200 0.212018 0.086 Uiso 1 1 calc R U . . .
C58 C 0.4240(12) 0.1572(5) 0.2377(5) 0.069(3) Uani 1 1 d D U . . .
C63 C 0.4713(11) 0.1241(9) 0.1700(6) 0.072(3) Uani 1 1 d D U . . .
H63A H 0.480459 0.150068 0.157689 0.086 Uiso 1 1 calc R U . . .
H63B H 0.482857 0.100659 0.155005 0.086 Uiso 1 1 calc R U . . .
C66 C 0.3766(14) 0.0821(7) 0.1977(6) 0.070(3) Uani 1 1 d D U . . .
H66A H 0.321548 0.079789 0.201499 0.084 Uiso 1 1 calc R U . . .
H66B H 0.388716 0.058149 0.183420 0.084 Uiso 1 1 calc R U . . .
C60 C 0.5082(12) 0.1578(7) 0.2296(6) 0.071(3) Uani 1 1 d D U . . .
H60A H 0.543892 0.155371 0.251659 0.085 Uiso 1 1 calc R U . . .
H60B H 0.518700 0.184538 0.218724 0.085 Uiso 1 1 calc R U . . .
C57 C 0.3762(14) 0.1587(7) 0.2015(5) 0.069(3) Uani 1 1 d D U . . .
H57A H 0.389648 0.184447 0.189797 0.083 Uiso 1 1 calc R U . . .
H57B H 0.320628 0.160483 0.204589 0.083 Uiso 1 1 calc R U . . .
C65 C 0.3869(12) 0.1219(6) 0.1770(6) 0.071(3) Uani 1 1 d D U . . .
H65 H 0.349849 0.123267 0.154932 0.085 Uiso 1 1 calc R U . . .
C146 C 0.5244(15) 0.1222(7) 0.2048(5) 0.072(3) Uani 1 1 d D U . . .
H146 H 0.579754 0.123690 0.200344 0.086 Uiso 1 1 calc R U . . .
C83 C 0.8989(10) 0.1051(4) 0.3217(5) 0.079(3) Uani 1 1 d D U . . .
H83A H 0.951509 0.097542 0.332854 0.095 Uiso 1 1 calc R U . . .
H83B H 0.867953 0.079498 0.317945 0.095 Uiso 1 1 calc R U . . .
C82 C 0.9046(11) 0.1252(7) 0.2874(7) 0.078(3) Uani 1 1 d D U . . .
H82 H 0.929951 0.106309 0.271781 0.093 Uiso 1 1 calc R U . . .
C77 C 0.9180(11) 0.1957(5) 0.3188(5) 0.080(3) Uani 1 1 d D U . . .
H77 H 0.950526 0.221131 0.323154 0.096 Uiso 1 1 calc R U . . .
C71 C 0.8388(11) 0.2049(5) 0.2971(6) 0.079(3) Uani 1 1 d D U . . .
H71A H 0.847393 0.214052 0.273499 0.095 Uiso 1 1 calc R U . . .
H71B H 0.813141 0.227775 0.308228 0.095 Uiso 1 1 calc R U . . .
C74 C 0.8611(10) 0.1338(6) 0.3458(5) 0.079(3) Uani 1 1 d D U . . .
H74 H 0.857832 0.119482 0.368501 0.095 Uiso 1 1 calc R U . . .
C81 C 0.9496(14) 0.1665(6) 0.2927(5) 0.079(3) Uani 1 1 d D U . . .
H81A H 1.004758 0.160379 0.301011 0.095 Uiso 1 1 calc R U . . .
H81B H 0.947549 0.180645 0.269939 0.095 Uiso 1 1 calc R U . . .
C76 C 0.9081(10) 0.1731(6) 0.3524(4) 0.081(3) Uani 1 1 d D U . . .
H76A H 0.959943 0.166165 0.364772 0.097 Uiso 1 1 calc R U . . .
H76B H 0.881976 0.191551 0.367580 0.097 Uiso 1 1 calc R U . . .
C73 C 0.7803(11) 0.1499(7) 0.3310(4) 0.078(3) Uani 1 1 d D U . . .
H73A H 0.764020 0.172081 0.346104 0.093 Uiso 1 1 calc R U . . .
H73B H 0.741757 0.127299 0.330014 0.093 Uiso 1 1 calc R U . . .
C89 C 0.8181(12) 0.2650(7) 0.1267(6) 0.047(6) Uani 1 1 d . U . . .
H89 H 0.855010 0.244861 0.118245 0.057 Uiso 1 1 calc R U . . .
C93 C 0.7778(14) 0.2895(8) 0.0949(6) 0.066(8) Uani 1 1 d . U . . .
H93A H 0.817551 0.303235 0.082722 0.079 Uiso 1 1 calc R U . . .
H93B H 0.748113 0.270284 0.078316 0.079 Uiso 1 1 calc R U . . .
C94 C 0.7022(10) 0.3960(5) 0.4432(4) 0.062(3) Uani 1 1 d D U . . .
C97 C 0.7376(19) 0.4316(7) 0.4237(6) 0.061(4) Uani 0.5 1 d D U P B 1
H97A H 0.783956 0.421392 0.413918 0.073 Uiso 0.5 1 calc R U P B 1
H97B H 0.699287 0.440945 0.404080 0.073 Uiso 0.5 1 calc R U P B 1
C99 C 0.6323(12) 0.4136(8) 0.4591(8) 0.061(4) Uani 0.5 1 d D U P B 1
H99A H 0.594016 0.425151 0.440399 0.074 Uiso 0.5 1 calc R U P B 1
H99B H 0.606639 0.391347 0.470935 0.074 Uiso 0.5 1 calc R U P B 1
C109 C 0.7646(17) 0.3821(9) 0.4732(7) 0.061(4) Uani 0.5 1 d D U P B 1
H10E H 0.742170 0.360925 0.487426 0.074 Uiso 0.5 1 calc R U P B 1
H10F H 0.808560 0.369408 0.463221 0.074 Uiso 0.5 1 calc R U P B 1
C95 C 0.6728(17) 0.4723(10) 0.4583(7) 0.064(4) Uani 0.5 1 d D U P B 2
H95 H 0.644921 0.497612 0.448638 0.076 Uiso 0.5 1 calc R U P B 2
C103 C 0.7604(17) 0.4813(11) 0.4655(9) 0.064(4) Uani 0.5 1 d D U P B 2
H10G H 0.770289 0.502713 0.483755 0.077 Uiso 0.5 1 calc R U P B 2
H10H H 0.778957 0.491859 0.443997 0.077 Uiso 0.5 1 calc R U P B 2
C104 C 0.7951(16) 0.4185(8) 0.4970(8) 0.061(4) Uani 0.5 1 d D U P B 1
H104 H 0.836843 0.408489 0.515360 0.074 Uiso 0.5 1 calc R U P B 1
C102 C 0.8049(19) 0.4415(8) 0.4775(9) 0.064(4) Uani 0.5 1 d D U P B 2
H102 H 0.861759 0.447367 0.482291 0.077 Uiso 0.5 1 calc R U P B 2
C105 C 0.6608(13) 0.4474(10) 0.4853(6) 0.062(4) Uani 0.5 1 d D U P B 1
H105 H 0.615408 0.457184 0.496523 0.074 Uiso 0.5 1 calc R U P B 1
C106 C 0.6858(18) 0.4206(9) 0.5063(7) 0.064(4) Uani 0.5 1 d D U P B 2
H106 H 0.667873 0.411459 0.528590 0.076 Uiso 0.5 1 calc R U P B 2
C112 C 0.661(2) 0.4371(8) 0.4309(8) 0.063(4) Uani 0.5 1 d D U P B 2
H11G H 0.681277 0.446366 0.409386 0.075 Uiso 0.5 1 calc R U P B 2
H11H H 0.604919 0.431770 0.424989 0.075 Uiso 0.5 1 calc R U P B 2
C107 C 0.6736(19) 0.3854(10) 0.4788(6) 0.063(4) Uani 0.5 1 d D U P B 2
H10I H 0.617677 0.378553 0.474605 0.076 Uiso 0.5 1 calc R U P B 2
H10J H 0.701509 0.360492 0.488599 0.076 Uiso 0.5 1 calc R U P B 2
C131 C 0.7608(15) 0.4683(8) 0.4482(6) 0.061(4) Uani 0.5 1 d D U P B 1
H131 H 0.780394 0.491240 0.434374 0.074 Uiso 0.5 1 calc R U P B 1
C349 C 0.7903(11) 0.4053(11) 0.4511(7) 0.063(4) Uani 0.5 1 d D U P B 2
H34C H 0.818028 0.380396 0.460862 0.076 Uiso 0.5 1 calc R U P B 2
H34D H 0.810829 0.412676 0.429205 0.076 Uiso 0.5 1 calc R U P B 2
C377 C 0.7737(17) 0.4277(11) 0.5116(6) 0.064(4) Uani 0.5 1 d D U P B 2
H37C H 0.800153 0.401913 0.520142 0.077 Uiso 0.5 1 calc R U P B 2
H37D H 0.786395 0.449196 0.529656 0.077 Uiso 0.5 1 calc R U P B 2
C198 C 0.6442(14) 0.4608(10) 0.4934(8) 0.064(4) Uani 0.5 1 d D U P B 2
H19G H 0.656904 0.483144 0.510649 0.077 Uiso 0.5 1 calc R U P B 2
H19H H 0.587300 0.456687 0.490056 0.077 Uiso 0.5 1 calc R U P B 2
C132 C 0.8256(12) 0.4554(10) 0.4773(8) 0.061(4) Uani 0.5 1 d D U P B 1
H13C H 0.839014 0.478690 0.493478 0.074 Uiso 0.5 1 calc R U P B 1
H13D H 0.872699 0.447217 0.467063 0.074 Uiso 0.5 1 calc R U P B 1
C167 C 0.7248(18) 0.4335(10) 0.5143(6) 0.061(4) Uani 0.5 1 d D U P B 1
H16C H 0.705280 0.410933 0.528082 0.074 Uiso 0.5 1 calc R U P B 1
H16D H 0.740266 0.456881 0.530247 0.074 Uiso 0.5 1 calc R U P B 1
C358 C 0.6916(16) 0.4844(9) 0.4659(8) 0.061(4) Uani 0.5 1 d D U P B 1
H35C H 0.708812 0.506764 0.482534 0.074 Uiso 0.5 1 calc R U P B 1
H35D H 0.650404 0.495290 0.448199 0.074 Uiso 0.5 1 calc R U P B 1


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au01 Au02 2.7075(13) . ?
Au01 Au03 2.7532(12) . ?
Au01 Au04 2.7355(12) . ?
Au01 Au05 2.7620(12) . ?
Au01 Au06 2.9852(12) . ?
Au01 Au07 2.7452(12) . ?
Au01 Au08 2.7874(13) . ?
Au01 Au09 2.7747(12) . ?
Au01 Au0B 2.7542(12) . ?
Au01 Au0C 2.7616(12) . ?
Au01 Au0D 3.0465(12) . ?
Au01 Cd0S 2.7921(15) . ?
Au02 Au04 2.9069(13) . ?
Au02 Au06 2.9517(12) . ?
Au02 Au09 2.8805(13) . ?
Au02 Au0B 2.9395(12) . ?
Au02 Au0D 2.8158(12) . ?
Au02 Au0N 3.2095(12) . ?
Au02 S0V 2.368(5) . ?
Au03 Au05 2.8519(12) . ?
Au03 Au08 2.9659(13) . ?
Au03 Au09 2.8298(13) . ?
Au03 Au0C 2.7468(12) . ?
Au03 Au0K 2.8641(13) . ?
Au03 S011 2.378(5) . ?
Au04 Au06 2.8109(12) . ?
Au04 Au07 2.9809(12) . ?
Au04 Au0B 2.8101(13) . ?
Au04 Au0M 3.2863(12) . ?
Au04 Cd0S 2.8985(16) . ?
Au04 S0Y 2.353(5) . ?
Au05 Au06 3.3304(13) . ?
Au05 Au07 2.9428(12) . ?
Au05 Au08 2.8242(12) . ?
Au05 Au0A 2.6845(13) . ?
Au05 Au0D 2.8846(13) . ?
Au05 Au0E 2.7017(13) . ?
Au05 Au0G 2.7472(12) . ?
Au05 Au0K 3.2154(13) . ?
Au06 Au07 2.9101(13) . ?
Au06 Au0A 2.9795(12) . ?
Au06 Au0D 2.6744(13) . ?
Au06 Au0H 2.9120(12) . ?
Au06 Au0J 2.6935(12) . ?
Au06 Au0M 3.1359(13) . ?
Au07 Au08 2.8288(12) . ?
Au07 Cd0S 2.8876(15) . ?
Au07 S00W 2.352(5) . ?
Au08 Au0C 2.9485(13) . ?
Au08 Cd0S 2.9018(15) . ?
Au08 S0X 2.375(5) . ?
Au09 Au0B 2.9143(12) . ?
Au09 Au0C 2.8629(13) . ?
Au09 S0U 2.357(5) . ?
Au0A Au0D 3.2565(13) . ?
Au0A Au0E 2.7651(13) . ?
Au0A Au0F 3.0783(13) . ?
Au0A Au0G 2.7692(13) . ?
Au0A Au0H 2.6911(13) . ?
Au0A Au0I 3.1648(13) . ?
Au0A Au0J 2.6669(13) . ?
Au0A Au0L 3.2973(13) . ?
Au0B Au0C 2.9768(13) . ?
Au0B Cd0S 2.9677(16) . ?
Au0B S012 2.356(5) . ?
Au0C Cd0S 3.0162(16) . ?
Au0C S014 2.303(5) . ?
Au0D Au0H 2.9520(13) . ?
Au0D Au0K 2.7040(13) . ?
Au0D Au0L 2.7670(12) . ?
Au0D Au0N 3.1409(13) . ?
Au0D Au0Q 2.6978(13) . ?
Au0E Au0G 2.7361(14) . ?
Au0E Au0I 3.0135(13) . ?
Au0E Au0P 3.0699(13) . ?
Au0E S15 2.356(5) . ?
Au0F Au0J 2.8766(12) . ?
Au0F Au0O 3.0313(13) . ?
Au0F S0Z 2.319(6) . ?
Au0F S017 2.322(6) . ?
Au0G Au0K 2.9823(13) . ?
Au0G Au0L 2.9091(14) . ?
Au0G P019 2.309(6) . ?
Au0H Au0J 2.7330(14) . ?
Au0H Au0L 3.0154(13) . ?
Au0H Au0N 3.2292(13) . ?
Au0H Au0O 3.0036(12) . ?
Au0H S018 2.396(6) . ?
Au0I Au0J 3.0882(13) . ?
Au0I S00W 2.309(5) . ?
Au0I S017 2.314(5) . ?
Au0J Au0M 3.2008(12) . ?
Au0J S13 2.364(5) . ?
Au0K Au0L 2.7518(13) . ?
Au0K Au0Q 2.7431(14) . ?
Au0K S011 2.377(6) . ?
Au0L Au0O 3.3756(13) . ?
Au0L Au0Q 2.6872(13) . ?
Au0L S010 2.360(5) . ?
Au0M S0Y 2.316(5) . ?
Au0M S13 2.305(5) . ?
Au0N Au0Q 3.2712(14) . ?
Au0N S0V 2.318(5) . ?
Au0N S018 2.305(5) . ?
Au0O S0Z 2.321(6) . ?
Au0O S010 2.285(6) . ?
Au0P S0X 2.308(5) . ?
Au0P S15 2.295(6) . ?
Au0Q Au0R 2.9290(14) . ?
Au0Q S01A 2.330(6) . ?
Au0R S0U 2.280(6) . ?
Au0R S01A 2.298(6) . ?
Cd0S S16 2.454(5) . ?
Cd0T S012 2.553(6) . ?
Cd0T S014 2.567(5) . ?
Cd0T S16 2.580(6) . ?
Cd0T Cl1B 2.451(6) . ?
S0U C02R 1.836(16) . ?
S0V C02V 1.82(2) . ?
S00W C58 1.800(9) . ?
S0X C02O 1.84(2) . ?
S0Y C01P 1.86(2) . ?
S0Z C12 1.794(15) . ?
S010 C94 1.813(15) . ?
S011 C01E 1.93(2) . ?
S012 C023 1.89(2) . ?
S13 C3 1.829(16) . ?
S014 C02U 1.88(2) . ?
S15 C026 1.823(13) . ?
S16 C03Z 1.844(16) . ?
S017 C01T 1.82(2) . ?
S018 C30 1.80(2) . ?
P019 C030 1.788(11) . ?
P019 C75 1.848(12) . ?
P019 C2 1.797(11) . ?
S01A C47 1.74(2) . ?
C01C H01A 0.9900 . ?
C01C H01B 0.9900 . ?
C01C C01E 1.50(3) . ?
C01C C01K 1.57(3) . ?
C01D H01C 0.9900 . ?
C01D H01D 0.9900 . ?
C01D C02V 1.57(3) . ?
C01D C032 1.61(3) . ?
C01E C01Q 1.44(2) . ?
C01E C02Q 1.46(2) . ?
C01I H01I 1.0000 . ?
C01I C01O 1.56(2) . ?
C01I C02H 1.53(3) . ?
C01I C02N 1.47(2) . ?
C01K H01K 1.0000 . ?
C01K C01R 1.47(3) . ?
C01K C022 1.54(2) . ?
C01M H01E 0.9900 . ?
C01M H01F 0.9900 . ?
C01M C02U 1.544(10) . ?
C01M C7 1.545(10) . ?
C01O H01G 0.9900 . ?
C01O H01H 0.9900 . ?
C01O C023 1.57(2) . ?
C01P C01U 1.48(3) . ?
C01P C02Y 1.55(3) . ?
C01P C03D 1.51(2) . ?
C01Q H01J 0.9900 . ?
C01Q H01L 0.9900 . ?
C01Q C03G 1.60(3) . ?
C01R H01M 0.9900 . ?
C01R H01N 0.9900 . ?
C01R C03G 1.49(3) . ?
C01S H01O 0.9900 . ?
C01S H01P 0.9900 . ?
C01S C01V 1.56(2) . ?
C01S C023 1.47(3) . ?
C01T C020 1.47(3) . ?
C01T C02D 1.57(2) . ?
C01T C02M 1.53(3) . ?
C01U H01Q 0.9900 . ?
C01U H01R 0.9900 . ?
C01U C036 1.49(3) . ?
C01V H01V 1.0000 . ?
C01V C02H 1.50(2) . ?
C01V C03A 1.54(3) . ?
C01W H01S 0.9900 . ?
C01W H01T 0.9900 . ?
C01W C034 1.49(3) . ?
C01W C03K 1.56(3) . ?
C01X H01U 0.9900 . ?
C01X H01W 0.9900 . ?
C01X C02V 1.54(2) . ?
C01X C038 1.56(3) . ?
C01Y H01X 0.9900 . ?
C01Y H01Y 0.9900 . ?
C01Y C02L 1.50(3) . ?
C01Y C03G 1.46(3) . ?
C01Z H01Z 0.9900 . ?
C01Z H 0.9900 . ?
C01Z C02O 1.47(2) . ?
C01Z C034 1.61(3) . ?
C020 H02A 0.9900 . ?
C020 H02B 0.9900 . ?
C020 C10 1.54(3) . ?
C022 H02C 0.9900 . ?
C022 H02D 0.9900 . ?
C022 C02L 1.46(3) . ?
C023 C02Z 1.53(2) . ?
C026 C037 1.530(9) . ?
C026 C71 1.545(9) . ?
C026 C73 1.541(9) . ?
C02C H02E 0.9900 . ?
C02C H02F 0.9900 . ?
C02C C02O 1.57(2) . ?
C02C C03K 1.50(3) . ?
C02D H02G 0.9900 . ?
C02D H02H 0.9900 . ?
C02D C17 1.62(3) . ?
C02F H02I 0.9900 . ?
C02F H02J 0.9900 . ?
C02F C038 1.43(3) . ?
C02F C03C 1.46(2) . ?
C02H H02K 0.9900 . ?
C02H H02L 0.9900 . ?
C02I H02M 0.9900 . ?
C02I H02N 0.9900 . ?
C02I C02O 1.56(2) . ?
C02I C89 1.57(3) . ?
C02L H02O 1.0000 . ?
C02L C02Q 1.49(3) . ?
C02M H02P 0.9900 . ?
C02M H02Q 0.9900 . ?
C02M C29 1.53(3) . ?
C02N H02R 0.9900 . ?
C02N H02S 0.9900 . ?
C02N C03H 1.57(3) . ?
C02P H02T 0.9900 . ?
C02P H02U 0.9900 . ?
C02P C02V 1.53(3) . ?
C02P C03C 1.55(3) . ?
C02Q H02V 0.9900 . ?
C02Q H02W 0.9900 . ?
C02R C41 1.547(9) . ?
C02R C92 1.538(9) . ?
C02R C111 1.544(9) . ?
C02R C41A 1.53(2) . ?
C02R C1A 1.54(2) . ?
C02R C92A 1.52(2) . ?
C02U C64 1.546(10) . ?
C02U C26 1.542(10) . ?
C02Y H02X 0.9900 . ?
C02Y H02Y 0.9900 . ?
C02Y C135 1.45(3) . ?
C02Z H02Z 0.9900 . ?
C02Z HA 0.9900 . ?
C02Z C03H 1.53(2) . ?
C030 C86 1.3900 . ?
C030 N85 1.3900 . ?
C86 H86 0.9500 . ?
C86 C87 1.3900 . ?
C87 H87 0.9500 . ?
C87 C88 1.3900 . ?
C88 H88 0.9500 . ?
C88 C118 1.3900 . ?
C118 H118 0.9500 . ?
C118 N85 1.3900 . ?
C032 H032 1.0000 . ?
C032 C03F 1.43(2) . ?
C032 C03X 1.56(3) . ?
C034 H034 1.0000 . ?
C034 C03N 1.50(3) . ?
C036 H036 1.0000 . ?
C036 C70 1.46(3) . ?
C036 C72 1.59(2) . ?
C037 H03A 0.9900 . ?
C037 H03B 0.9900 . ?
C037 C82 1.552(10) . ?
C038 H038 1.0000 . ?
C038 C03F 1.51(3) . ?
C03A H03C 0.9900 . ?
C03A H03D 0.9900 . ?
C03A C03H 1.50(3) . ?
C03C H03E 1.0000 . ?
C03C C03X 1.53(3) . ?
C03D H03F 0.9900 . ?
C03D H03G 0.9900 . ?
C03D C152 1.52(3) . ?
C03F H03H 0.9900 . ?
C03F H03I 0.9900 . ?
C03G H03J 1.0000 . ?
C03H H03K 1.0000 . ?
C03K H03L 1.0000 . ?
C03K C93 1.46(3) . ?
C03N H03M 0.9900 . ?
C03N H03N 0.9900 . ?
C03N C89 1.45(3) . ?
C03V H03O 0.9900 . ?
C03V H03P 0.9900 . ?
C03V C135 1.60(3) . ?
C03V C152 1.52(3) . ?
C03X H03Q 0.9900 . ?
C03X H03R 0.9900 . ?
C03Z C108 1.545(10) . ?
C03Z C124 1.533(9) . ?
C03Z C136 1.554(9) . ?
C7 H7 1.0000 . ?
C7 C24 1.548(10) . ?
C7 C33 1.539(10) . ?
C64 H64A 0.9900 . ?
C64 H64B 0.9900 . ?
C64 C110 1.544(10) . ?
C110 H110 1.0000 . ?
C110 C6 1.551(10) . ?
C110 C33 1.532(10) . ?
C1 H1 1.0000 . ?
C1 C6 1.548(10) . ?
C1 C24 1.533(10) . ?
C1 C26 1.543(10) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C21 H21 1.0000 . ?
C21 C98 1.518(9) . ?
C21 C136 1.534(9) . ?
C21 C191 1.512(9) . ?
C27 H27 1.0000 . ?
C27 C98 1.521(9) . ?
C27 C108 1.543(9) . ?
C27 C175 1.529(9) . ?
C98 H98A 0.9900 . ?
C98 H98B 0.9900 . ?
C108 H10A 0.9900 . ?
C108 H10B 0.9900 . ?
C124 H12A 0.9900 . ?
C124 H12B 0.9900 . ?
C124 C134 1.536(9) . ?
C134 H134 1.0000 . ?
C134 C175 1.518(9) . ?
C134 C191 1.522(9) . ?
C136 H13A 0.9900 . ?
C136 H13B 0.9900 . ?
C175 H17A 0.9900 . ?
C175 H17B 0.9900 . ?
C191 H19A 0.9900 . ?
C191 H19B 0.9900 . ?
C70 H70A 0.9900 . ?
C70 H70B 0.9900 . ?
C70 C135 1.52(3) . ?
C72 H72A 0.9900 . ?
C72 H72B 0.9900 . ?
C72 C152 1.49(3) . ?
C135 H135 1.0000 . ?
C152 H152 1.0000 . ?
C3 C8 1.536(9) . ?
C3 C4 1.536(10) . ?
C3 C5 1.525(9) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C8 C43 1.544(10) . ?
C18 H18 1.0000 . ?
C18 C4 1.543(10) . ?
C18 C62 1.533(10) . ?
C18 C119 1.543(10) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C5 C123 1.546(10) . ?
C62 H62A 0.9900 . ?
C62 H62B 0.9900 . ?
C62 C123 1.532(9) . ?
C123 H123 1.0000 . ?
C123 C51 1.531(9) . ?
C43 H43 1.0000 . ?
C43 C51 1.536(9) . ?
C43 C119 1.542(10) . ?
C51 H51A 0.9900 . ?
C51 H51B 0.9900 . ?
C119 H11A 0.9900 . ?
C119 H11B 0.9900 . ?
C11 H11C 0.9900 . ?
C11 H11D 0.9900 . ?
C11 C10 1.56(3) . ?
C11 C29 1.49(3) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C16 C17 1.40(3) . ?
C16 C10 1.47(3) . ?
C17 H17 1.0000 . ?
C17 C69 1.46(3) . ?
C10 H10 1.0000 . ?
C29 H29 1.0000 . ?
C29 C69 1.64(3) . ?
C69 H69A 0.9900 . ?
C69 H69B 0.9900 . ?
C19 H19C 0.9900 . ?
C19 H19D 0.9900 . ?
C19 C12 1.553(9) . ?
C19 C23 1.554(10) . ?
C12 C14 1.550(10) . ?
C12 C15 1.539(9) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C14 C20 1.546(10) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C15 C25 1.544(10) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C22 C23 1.549(10) . ?
C22 C20 1.542(10) . ?
C23 H23 1.0000 . ?
C23 C28 1.548(10) . ?
C20 H20 1.0000 . ?
C20 C32 1.545(10) . ?
C25 H25 1.0000 . ?
C25 C28 1.529(10) . ?
C25 C32 1.536(10) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C31 C30 1.557(10) . ?
C31 C36 1.552(10) . ?
C40 H40 1.0000 . ?
C40 C39 1.545(10) . ?
C40 C35 1.557(10) . ?
C40 C80 1.564(10) . ?
C30 C35 1.552(10) . ?
C30 C34 1.543(10) . ?
C36 H36 1.0000 . ?
C36 C37 1.549(10) . ?
C36 C80 1.549(10) . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C39 C38 1.546(10) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C34 C38 1.545(10) . ?
C38 H38 1.0000 . ?
C38 C37 1.550(10) . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C80 H80A 0.9900 . ?
C80 H80B 0.9900 . ?
C44 H44A 0.9900 . ?
C44 H44B 0.9900 . ?
C44 C42 1.545(10) . ?
C44 C96 1.535(10) . ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
C45 C42 1.542(10) . ?
C45 C114 1.540(10) . ?
C42 H42 1.0000 . ?
C42 C92 1.542(10) . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
C41 C96 1.545(10) . ?
C92 H92A 0.9900 . ?
C92 H92B 0.9900 . ?
C96 H96 1.0000 . ?
C96 C101 1.540(10) . ?
C101 H10C 0.9900 . ?
C101 H10D 0.9900 . ?
C101 C114 1.538(10) . ?
C111 H11E 0.9900 . ?
C111 H11F 0.9900 . ?
C111 C114 1.539(10) . ?
C114 H114 1.0000 . ?
C44A H44C 0.9900 . ?
C44A H44D 0.9900 . ?
C44A C42A 1.55(2) . ?
C44A C96A 1.54(2) . ?
C45A H45C 0.9900 . ?
C45A H45D 0.9900 . ?
C45A C42A 1.54(2) . ?
C45A C1B 1.53(2) . ?
C42A H42A 1.0000 . ?
C42A C92A 1.54(2) . ?
C41A H41C 0.9900 . ?
C41A H41D 0.9900 . ?
C41A C96A 1.56(2) . ?
C96A H96A 1.0000 . ?
C96A C46 1.53(2) . ?
C46 H46A 0.9900 . ?
C46 H46B 0.9900 . ?
C46 C1B 1.54(2) . ?
C1A H1AA 0.9900 . ?
C1A H1AB 0.9900 . ?
C1A C1B 1.54(2) . ?
C1B H1B 1.0000 . ?
C92A H92C 0.9900 . ?
C92A H92D 0.9900 . ?
C47 C53 1.546(10) . ?
C47 C59 1.546(10) . ?
C47 C78 1.545(10) . ?
C53 H53A 0.9900 . ?
C53 H53B 0.9900 . ?
C53 C50 1.556(10) . ?
C59 H59A 0.9900 . ?
C59 H59B 0.9900 . ?
C59 C49 1.556(10) . ?
C78 H78A 0.9900 . ?
C78 H78B 0.9900 . ?
C78 C52 1.552(10) . ?
C49 H49 1.0000 . ?
C49 C54 1.543(10) . ?
C49 C48 1.545(10) . ?
C54 H54A 0.9900 . ?
C54 H54B 0.9900 . ?
C54 C52 1.545(10) . ?
C52 H52 1.0000 . ?
C52 C192 1.546(10) . ?
C48 H48A 0.9900 . ?
C48 H48B 0.9900 . ?
C48 C50 1.524(10) . ?
C50 H50 1.0000 . ?
C50 C192 1.540(10) . ?
C192 H19E 0.9900 . ?
C192 H19F 0.9900 . ?
C75 C90 1.3900 . ?
C75 C91 1.3900 . ?
C90 H90 0.9500 . ?
C90 C79 1.3900 . ?
C79 H79 0.9500 . ?
C79 C84 1.3900 . ?
C84 H84 0.9500 . ?
C84 C100 1.3900 . ?
C100 H100 0.9500 . ?
C100 C91 1.3900 . ?
C91 H91 0.9500 . ?
C2 C55 1.3900 . ?
C2 C115 1.3900 . ?
C55 H55 0.9500 . ?
C55 C189 1.3900 . ?
C189 H189 0.9500 . ?
C189 C56 1.3900 . ?
C56 H56 0.9500 . ?
C56 C9 1.3900 . ?
C9 H9 0.9500 . ?
C9 C115 1.3900 . ?
C115 H115 0.9500 . ?
C61 H61A 0.9900 . ?
C61 H61B 0.9900 . ?
C61 C67 1.544(10) . ?
C61 C58 1.553(10) . ?
C67 H67 1.0000 . ?
C67 C68 1.544(10) . ?
C67 C66 1.532(10) . ?
C68 H68A 0.9900 . ?
C68 H68B 0.9900 . ?
C68 C146 1.539(10) . ?
C58 C60 1.536(10) . ?
C58 C57 1.535(10) . ?
C63 H63A 0.9900 . ?
C63 H63B 0.9900 . ?
C63 C65 1.528(10) . ?
C63 C146 1.534(10) . ?
C66 H66A 0.9900 . ?
C66 H66B 0.9900 . ?
C66 C65 1.541(10) . ?
C60 H60A 0.9900 . ?
C60 H60B 0.9900 . ?
C60 C146 1.549(10) . ?
C57 H57A 0.9900 . ?
C57 H57B 0.9900 . ?
C57 C65 1.550(10) . ?
C65 H65 1.0000 . ?
C146 H146 1.0000 . ?
C83 H83A 0.9900 . ?
C83 H83B 0.9900 . ?
C83 C82 1.49(3) . ?
C83 C74 1.524(10) . ?
C82 H82 1.0000 . ?
C82 C81 1.549(10) . ?
C77 H77 1.0000 . ?
C77 C71 1.545(10) . ?
C77 C81 1.537(10) . ?
C77 C76 1.520(9) . ?
C71 H71A 0.9900 . ?
C71 H71B 0.9900 . ?
C74 H74 1.0000 . ?
C74 C76 1.517(9) . ?
C74 C73 1.537(10) . ?
C81 H81A 0.9900 . ?
C81 H81B 0.9900 . ?
C76 H76A 0.9900 . ?
C76 H76B 0.9900 . ?
C73 H73A 0.9900 . ?
C73 H73B 0.9900 . ?
C89 H89 1.0000 . ?
C89 C93 1.55(3) . ?
C93 H93A 0.9900 . ?
C93 H93B 0.9900 . ?
C94 C97 1.550(7) . ?
C94 C99 1.538(7) . ?
C94 C109 1.549(7) . ?
C94 C112 1.555(10) . ?
C94 C107 1.560(10) . ?
C94 C349 1.552(10) . ?
C97 H97A 0.9900 . ?
C97 H97B 0.9900 . ?
C97 C131 1.542(10) . ?
C99 H99A 0.9900 . ?
C99 H99B 0.9900 . ?
C99 C105 1.532(10) . ?
C109 H10E 0.9900 . ?
C109 H10F 0.9900 . ?
C109 C104 1.546(10) . ?
C95 H95 1.0000 . ?
C95 C103 1.540(10) . ?
C95 C112 1.555(10) . ?
C95 C198 1.548(10) . ?
C103 H10G 0.9900 . ?
C103 H10H 0.9900 . ?
C103 C102 1.544(10) . ?
C104 H104 1.0000 . ?
C104 C132 1.548(10) . ?
C104 C167 1.546(10) . ?
C102 H102 1.0000 . ?
C102 C349 1.552(10) . ?
C102 C377 1.555(10) . ?
C105 H105 1.0000 . ?
C105 C167 1.543(10) . ?
C105 C358 1.544(10) . ?
C106 H106 1.0000 . ?
C106 C107 1.553(7) . ?
C106 C377 1.534(10) . ?
C106 C198 1.541(10) . ?
C112 H11G 0.9900 . ?
C112 H11H 0.9900 . ?
C107 H10I 0.9900 . ?
C107 H10J 0.9900 . ?
C131 H131 1.0000 . ?
C131 C132 1.544(10) . ?
C131 C358 1.548(10) . ?
C349 H34C 0.9900 . ?
C349 H34D 0.9900 . ?
C377 H37C 0.9900 . ?
C377 H37D 0.9900 . ?
C198 H19G 0.9900 . ?
C198 H19H 0.9900 . ?
C132 H13C 0.9900 . ?
C132 H13D 0.9900 . ?
C167 H16C 0.9900 . ?
C167 H16D 0.9900 . ?
C358 H35C 0.9900 . ?
C358 H35D 0.9900 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Au02 Au01 Au03 114.37(4) . . ?
Au02 Au01 Au04 64.56(3) . . ?
Au02 Au01 Au05 116.11(4) . . ?
Au02 Au01 Au06 62.24(3) . . ?
Au02 Au01 Au07 117.77(4) . . ?
Au02 Au01 Au08 177.30(4) . . ?
Au02 Au01 Au09 63.38(3) . . ?
Au02 Au01 Au0B 65.12(3) . . ?
Au02 Au01 Au0C 117.80(4) . . ?
Au02 Au01 Au0D 58.24(3) . . ?
Au02 Au01 Cd0S 119.59(4) . . ?
Au03 Au01 Au05 62.28(3) . . ?
Au03 Au01 Au06 124.23(4) . . ?
Au03 Au01 Au08 64.72(3) . . ?
Au03 Au01 Au09 61.58(3) . . ?
Au03 Au01 Au0B 114.86(4) . . ?
Au03 Au01 Au0C 59.75(3) . . ?
Au03 Au01 Au0D 77.59(3) . . ?
Au03 Au01 Cd0S 115.79(4) . . ?
Au04 Au01 Au03 176.44(4) . . ?
Au04 Au01 Au05 121.29(4) . . ?
Au04 Au01 Au06 58.67(3) . . ?
Au04 Au01 Au07 65.90(3) . . ?
Au04 Au01 Au08 116.51(4) . . ?
Au04 Au01 Au09 115.49(4) . . ?
Au04 Au01 Au0B 61.58(3) . . ?
Au04 Au01 Au0C 117.40(4) . . ?
Au04 Au01 Au0D 104.06(4) . . ?
Au04 Au01 Cd0S 63.24(4) . . ?
Au05 Au01 Au06 70.71(3) . . ?
Au05 Au01 Au08 61.18(3) . . ?
Au05 Au01 Au09 114.29(4) . . ?
Au05 Au01 Au0D 59.31(3) . . ?
Au05 Au01 Cd0S 115.73(4) . . ?
Au06 Au01 Au0D 52.63(3) . . ?
Au07 Au01 Au03 117.02(4) . . ?
Au07 Au01 Au05 64.60(3) . . ?
Au07 Au01 Au06 60.87(3) . . ?
Au07 Au01 Au08 61.49(3) . . ?
Au07 Au01 Au09 178.60(4) . . ?
Au07 Au01 Au0B 117.46(4) . . ?
Au07 Au01 Au0C 117.15(4) . . ?
Au07 Au01 Au0D 102.07(4) . . ?
Au07 Au01 Cd0S 62.86(4) . . ?
Au08 Au01 Au06 115.91(4) . . ?
Au08 Au01 Au0D 119.13(4) . . ?
Au08 Au01 Cd0S 62.68(4) . . ?
Au09 Au01 Au06 119.79(4) . . ?
Au09 Au01 Au08 117.32(4) . . ?
Au09 Au01 Au0D 77.80(3) . . ?
Au09 Au01 Cd0S 117.47(4) . . ?
Au0B Au01 Au05 177.10(5) . . ?
Au0B Au01 Au06 111.99(4) . . ?
Au0B Au01 Au08 117.58(4) . . ?
Au0B Au01 Au09 63.62(3) . . ?
Au0B Au01 Au0C 65.33(3) . . ?
Au0B Au01 Au0D 121.20(4) . . ?
Au0B Au01 Cd0S 64.69(4) . . ?
Au0C Au01 Au05 112.05(4) . . ?
Au0C Au01 Au06 175.92(4) . . ?
Au0C Au01 Au08 64.19(3) . . ?
Au0C Au01 Au09 62.28(3) . . ?
Au0C Au01 Au0D 131.23(4) . . ?
Au0C Au01 Cd0S 65.79(4) . . ?
Cd0S Au01 Au06 110.43(4) . . ?
Cd0S Au01 Au0D 162.82(5) . . ?
Au01 Au02 Au04 58.19(3) . . ?
Au01 Au02 Au06 63.50(3) . . ?
Au01 Au02 Au09 59.45(3) . . ?
Au01 Au02 Au0B 58.21(3) . . ?
Au01 Au02 Au0D 66.92(3) . . ?
Au01 Au02 Au0N 128.76(4) . . ?
Au04 Au02 Au06 57.34(3) . . ?
Au04 Au02 Au0B 57.45(3) . . ?
Au04 Au02 Au0N 130.24(4) . . ?
Au06 Au02 Au0N 81.40(3) . . ?
Au09 Au02 Au04 107.26(4) . . ?
Au09 Au02 Au06 117.42(4) . . ?
Au09 Au02 Au0B 60.09(3) . . ?
Au09 Au02 Au0N 116.53(4) . . ?
Au0B Au02 Au06 107.78(4) . . ?
Au0B Au02 Au0N 170.81(4) . . ?
Au0D Au02 Au04 105.72(4) . . ?
Au0D Au02 Au06 55.19(3) . . ?
Au0D Au02 Au09 80.00(3) . . ?
Au0D Au02 Au0B 122.89(4) . . ?
Au0D Au02 Au0N 62.43(3) . . ?
S0V Au02 Au01 166.91(13) . . ?
S0V Au02 Au04 134.90(13) . . ?
S0V Au02 Au06 121.11(13) . . ?
S0V Au02 Au09 110.12(13) . . ?
S0V Au02 Au0B 125.56(12) . . ?
S0V Au02 Au0D 104.80(12) . . ?
S0V Au02 Au0N 46.12(12) . . ?
Au01 Au03 Au05 59.01(3) . . ?
Au01 Au03 Au08 58.19(3) . . ?
Au01 Au03 Au09 59.58(3) . . ?
Au01 Au03 Au0K 101.76(4) . . ?
Au05 Au03 Au08 58.04(3) . . ?
Au05 Au03 Au0K 68.46(3) . . ?
Au09 Au03 Au05 109.89(4) . . ?
Au09 Au03 Au08 110.08(4) . . ?
Au09 Au03 Au0K 94.73(4) . . ?
Au0C Au03 Au01 60.28(3) . . ?
Au0C Au03 Au05 109.78(4) . . ?
Au0C Au03 Au08 62.01(3) . . ?
Au0C Au03 Au09 61.76(3) . . ?
Au0C Au03 Au0K 155.03(4) . . ?
Au0K Au03 Au08 125.81(4) . . ?
S011 Au03 Au01 151.40(14) . . ?
S011 Au03 Au05 95.65(13) . . ?
S011 Au03 Au08 122.11(13) . . ?
S011 Au03 Au09 127.71(13) . . ?
S011 Au03 Au0C 148.02(14) . . ?
S011 Au03 Au0K 52.94(14) . . ?
Au01 Au04 Au02 57.25(3) . . ?
Au01 Au04 Au06 65.11(3) . . ?
Au01 Au04 Au07 57.21(3) . . ?
Au01 Au04 Au0B 59.54(3) . . ?
Au01 Au04 Au0M 122.35(4) . . ?
Au01 Au04 Cd0S 59.33(4) . . ?
Au02 Au04 Au07 104.90(3) . . ?
Au02 Au04 Au0M 110.37(3) . . ?
Au06 Au04 Au02 62.13(3) . . ?
Au06 Au04 Au07 60.24(3) . . ?
Au06 Au04 Au0M 61.32(3) . . ?
Au06 Au04 Cd0S 112.45(4) . . ?
Au07 Au04 Au0M 78.43(3) . . ?
Au0B Au04 Au02 61.86(3) . . ?
Au0B Au04 Au06 115.72(4) . . ?
Au0B Au04 Au07 108.48(4) . . ?
Au0B Au04 Au0M 170.37(4) . . ?
Au0B Au04 Cd0S 62.62(4) . . ?
Cd0S Au04 Au02 109.91(4) . . ?
Cd0S Au04 Au07 58.81(3) . . ?
Cd0S Au04 Au0M 126.93(4) . . ?
S0Y Au04 Au01 167.15(13) . . ?
S0Y Au04 Au02 122.83(14) . . ?
S0Y Au04 Au06 102.98(13) . . ?
S0Y Au04 Au07 113.55(13) . . ?
S0Y Au04 Au0B 133.02(13) . . ?
S0Y Au04 Au0M 44.81(12) . . ?
S0Y Au04 Cd0S 125.75(13) . . ?
Au01 Au05 Au03 58.71(3) . . ?
Au01 Au05 Au06 57.78(3) . . ?
Au01 Au05 Au07 57.42(3) . . ?
Au01 Au05 Au08 59.85(3) . . ?
Au01 Au05 Au0D 65.26(3) . . ?
Au01 Au05 Au0K 93.32(3) . . ?
Au03 Au05 Au06 110.05(3) . . ?
Au03 Au05 Au07 108.02(3) . . ?
Au03 Au05 Au0D 78.79(3) . . ?
Au03 Au05 Au0K 55.95(3) . . ?
Au07 Au05 Au06 54.86(3) . . ?
Au07 Au05 Au0K 148.95(4) . . ?
Au08 Au05 Au03 63.00(3) . . ?
Au08 Au05 Au06 105.05(3) . . ?
Au08 Au05 Au07 58.71(3) . . ?
Au08 Au05 Au0D 123.62(4) . . ?
Au08 Au05 Au0K 118.35(4) . . ?
Au0A Au05 Au01 115.79(4) . . ?
Au0A Au05 Au03 148.05(5) . . ?
Au0A Au05 Au06 58.21(3) . . ?
Au0A Au05 Au07 89.36(4) . . ?
Au0A Au05 Au08 145.57(4) . . ?
Au0A Au05 Au0D 71.47(3) . . ?
Au0A Au05 Au0E 61.77(3) . . ?
Au0A Au05 Au0G 61.29(3) . . ?
Au0A Au05 Au0K 95.52(4) . . ?
Au0D Au05 Au06 50.35(3) . . ?
Au0D Au05 Au07 101.33(4) . . ?
Au0D Au05 Au0K 52.28(3) . . ?
Au0E Au05 Au01 147.46(4) . . ?
Au0E Au05 Au03 141.52(4) . . ?
Au0E Au05 Au06 108.14(4) . . ?
Au0E Au05 Au07 90.19(4) . . ?
Au0E Au05 Au08 102.59(4) . . ?
Au0E Au05 Au0D 131.65(4) . . ?
Au0E Au05 Au0G 60.27(3) . . ?
Au0E Au05 Au0K 119.09(4) . . ?
Au0G Au05 Au01 150.53(5) . . ?
Au0G Au05 Au03 106.84(4) . . ?
Au0G Au05 Au06 113.85(4) . . ?
Au0G Au05 Au07 145.07(4) . . ?
Au0G Au05 Au08 140.63(4) . . ?
Au0G Au05 Au0D 87.56(4) . . ?
Au0G Au05 Au0K 59.41(3) . . ?
Au0K Au05 Au06 102.57(3) . . ?
Au01 Au06 Au05 51.51(3) . . ?
Au01 Au06 Au0M 119.28(4) . . ?
Au02 Au06 Au01 54.26(3) . . ?
Au02 Au06 Au05 95.07(3) . . ?
Au02 Au06 Au0A 129.72(4) . . ?
Au02 Au06 Au0M 113.40(4) . . ?
Au04 Au06 Au01 56.23(3) . . ?
Au04 Au06 Au02 60.53(3) . . ?
Au04 Au06 Au05 102.23(3) . . ?
Au04 Au06 Au07 62.78(3) . . ?
Au04 Au06 Au0A 146.77(4) . . ?
Au04 Au06 Au0H 158.25(4) . . ?
Au04 Au06 Au0M 66.83(3) . . ?
Au07 Au06 Au01 55.49(3) . . ?
Au07 Au06 Au02 105.57(4) . . ?
Au07 Au06 Au05 55.78(3) . . ?
Au07 Au06 Au0A 84.52(3) . . ?
Au07 Au06 Au0H 138.81(4) . . ?
Au07 Au06 Au0M 81.99(3) . . ?
Au0A Au06 Au01 101.34(3) . . ?
Au0A Au06 Au05 49.98(3) . . ?
Au0A Au06 Au0M 116.77(4) . . ?
Au0D Au06 Au01 64.86(3) . . ?
Au0D Au06 Au02 59.82(3) . . ?
Au0D Au06 Au04 112.53(4) . . ?
Au0D Au06 Au05 56.15(3) . . ?
Au0D Au06 Au07 107.55(4) . . ?
Au0D Au06 Au0A 70.10(3) . . ?
Au0D Au06 Au0H 63.63(3) . . ?
Au0D Au06 Au0J 115.96(4) . . ?
Au0D Au06 Au0M 169.21(5) . . ?
Au0H Au06 Au01 128.03(4) . . ?
Au0H Au06 Au02 103.06(4) . . ?
Au0H Au06 Au05 92.94(3) . . ?
Au0H Au06 Au0A 54.34(3) . . ?
Au0H Au06 Au0M 112.63(4) . . ?
Au0J Au06 Au01 149.74(4) . . ?
Au0J Au06 Au02 154.90(4) . . ?
Au0J Au06 Au04 131.43(4) . . ?
Au0J Au06 Au05 102.01(3) . . ?
Au0J Au06 Au07 99.25(4) . . ?
Au0J Au06 Au0A 55.81(3) . . ?
Au0J Au06 Au0H 58.20(3) . . ?
Au0J Au06 Au0M 66.10(3) . . ?
Au0M Au06 Au05 134.58(4) . . ?
Au01 Au07 Au04 56.90(3) . . ?
Au01 Au07 Au05 57.98(3) . . ?
Au01 Au07 Au06 63.64(3) . . ?
Au01 Au07 Au08 59.99(3) . . ?
Au01 Au07 Cd0S 59.37(4) . . ?
Au05 Au07 Au04 107.97(4) . . ?
Au06 Au07 Au04 56.98(3) . . ?
Au06 Au07 Au05 69.36(3) . . ?
Au08 Au07 Au04 107.86(4) . . ?
Au08 Au07 Au05 58.55(3) . . ?
Au08 Au07 Au06 117.03(4) . . ?
Au08 Au07 Cd0S 61.00(3) . . ?
Cd0S Au07 Au04 59.17(3) . . ?
Cd0S Au07 Au05 107.54(4) . . ?
Cd0S Au07 Au06 109.89(4) . . ?
S00W Au07 Au01 162.41(13) . . ?
S00W Au07 Au04 111.92(13) . . ?
S00W Au07 Au05 121.25(13) . . ?
S00W Au07 Au06 99.10(13) . . ?
S00W Au07 Au08 136.59(13) . . ?
S00W Au07 Cd0S 129.53(13) . . ?
Au01 Au08 Au03 57.08(3) . . ?
Au01 Au08 Au05 58.96(3) . . ?
Au01 Au08 Au07 58.52(3) . . ?
Au01 Au08 Au0C 57.48(3) . . ?
Au01 Au08 Cd0S 58.74(4) . . ?
Au05 Au08 Au03 58.96(3) . . ?
Au05 Au08 Au07 62.74(3) . . ?
Au05 Au08 Au0C 105.00(4) . . ?
Au05 Au08 Cd0S 110.44(4) . . ?
Au07 Au08 Au03 108.00(4) . . ?
Au07 Au08 Au0C 108.83(4) . . ?
Au07 Au08 Cd0S 60.50(4) . . ?
Au0C Au08 Au03 55.35(3) . . ?
Cd0S Au08 Au03 106.36(4) . . ?
Cd0S Au08 Au0C 62.07(4) . . ?
S0X Au08 Au01 177.68(13) . . ?
S0X Au08 Au03 125.19(12) . . ?
S0X Au08 Au05 122.20(12) . . ?
S0X Au08 Au07 119.85(13) . . ?
S0X Au08 Au0C 122.95(13) . . ?
S0X Au08 Cd0S 119.18(12) . . ?
Au01 Au09 Au02 57.17(3) . . ?
Au01 Au09 Au03 58.84(3) . . ?
Au01 Au09 Au0B 57.85(3) . . ?
Au01 Au09 Au0C 58.64(3) . . ?
Au02 Au09 Au0B 60.96(3) . . ?
Au03 Au09 Au02 106.97(4) . . ?
Au03 Au09 Au0B 107.79(4) . . ?
Au03 Au09 Au0C 57.70(3) . . ?
Au0C Au09 Au02 109.25(4) . . ?
Au0C Au09 Au0B 62.02(3) . . ?
S0U Au09 Au01 172.22(14) . . ?
S0U Au09 Au02 117.80(14) . . ?
S0U Au09 Au03 121.02(12) . . ?
S0U Au09 Au0B 126.42(12) . . ?
S0U Au09 Au0C 128.63(14) . . ?
Au05 Au0A Au06 71.81(3) . . ?
Au05 Au0A Au0D 57.12(3) . . ?
Au05 Au0A Au0E 59.42(3) . . ?
Au05 Au0A Au0F 158.70(5) . . ?
Au05 Au0A Au0G 60.47(3) . . ?
Au05 Au0A Au0H 115.05(4) . . ?
Au05 Au0A Au0I 95.39(4) . . ?
Au05 Au0A Au0L 85.66(3) . . ?
Au06 Au0A Au0D 50.55(3) . . ?
Au06 Au0A Au0F 116.08(4) . . ?
Au06 Au0A Au0I 89.17(3) . . ?
Au06 Au0A Au0L 96.46(3) . . ?
Au0D Au0A Au0L 49.94(3) . . ?
Au0E Au0A Au06 116.96(4) . . ?
Au0E Au0A Au0D 115.41(4) . . ?
Au0E Au0A Au0F 100.72(4) . . ?
Au0E Au0A Au0G 59.26(3) . . ?
Au0E Au0A Au0I 60.64(3) . . ?
Au0E Au0A Au0L 115.63(4) . . ?
Au0F Au0A Au0D 143.71(4) . . ?
Au0F Au0A Au0I 66.03(3) . . ?
Au0F Au0A Au0L 111.81(4) . . ?
Au0G Au0A Au06 125.12(4) . . ?
Au0G Au0A Au0D 80.17(3) . . ?
Au0G Au0A Au0F 118.25(4) . . ?
Au0G Au0A Au0I 119.31(4) . . ?
Au0G Au0A Au0L 56.51(3) . . ?
Au0H Au0A Au06 61.55(3) . . ?
Au0H Au0A Au0D 58.60(3) . . ?
Au0H Au0A Au0E 173.68(5) . . ?
Au0H Au0A Au0F 85.17(4) . . ?
Au0H Au0A Au0G 115.95(4) . . ?
Au0H Au0A Au0I 124.60(4) . . ?
Au0H Au0A Au0L 59.45(3) . . ?
Au0I Au0A Au0D 134.94(4) . . ?
Au0I Au0A Au0L 174.32(4) . . ?
Au0J Au0A Au05 122.81(4) . . ?
Au0J Au0A Au06 56.66(3) . . ?
Au0J Au0A Au0D 99.94(4) . . ?
Au0J Au0A Au0E 123.66(4) . . ?
Au0J Au0A Au0F 59.58(3) . . ?
Au0J Au0A Au0G 176.17(5) . . ?
Au0J Au0A Au0H 61.34(4) . . ?
Au0J Au0A Au0I 63.27(3) . . ?
Au0J Au0A Au0L 120.70(4) . . ?
Au01 Au0B Au02 56.67(3) . . ?
Au01 Au0B Au04 58.88(3) . . ?
Au01 Au0B Au09 58.53(3) . . ?
Au01 Au0B Au0C 57.46(3) . . ?
Au01 Au0B Cd0S 58.27(3) . . ?
Au02 Au0B Au0C 104.66(3) . . ?
Au02 Au0B Cd0S 107.14(4) . . ?
Au04 Au0B Au02 60.69(3) . . ?
Au04 Au0B Au09 108.98(4) . . ?
Au04 Au0B Au0C 108.49(4) . . ?
Au04 Au0B Cd0S 60.15(4) . . ?
Au09 Au0B Au02 58.95(3) . . ?
Au09 Au0B Au0C 58.14(3) . . ?
Au09 Au0B Cd0S 107.99(4) . . ?
Cd0S Au0B Au0C 60.98(3) . . ?
S012 Au0B Au01 158.44(14) . . ?
S012 Au0B Au02 139.78(14) . . ?
S012 Au0B Au04 136.58(13) . . ?
S012 Au0B Au09 113.55(13) . . ?
S012 Au0B Au0C 101.03(13) . . ?
S012 Au0B Cd0S 112.29(14) . . ?
Au01 Au0C Au08 58.33(3) . . ?
Au01 Au0C Au09 59.09(3) . . ?
Au01 Au0C Au0B 57.22(3) . . ?
Au01 Au0C Cd0S 57.59(3) . . ?
Au03 Au0C Au01 59.98(3) . . ?
Au03 Au0C Au08 62.65(3) . . ?
Au03 Au0C Au09 60.55(3) . . ?
Au03 Au0C Au0B 108.30(4) . . ?
Au03 Au0C Cd0S 109.10(4) . . ?
Au08 Au0C Au0B 106.24(4) . . ?
Au08 Au0C Cd0S 58.21(3) . . ?
Au09 Au0C Au08 109.65(4) . . ?
Au09 Au0C Au0B 59.84(3) . . ?
Au09 Au0C Cd0S 108.04(4) . . ?
Au0B Au0C Cd0S 59.36(3) . . ?
S014 Au0C Au01 154.28(14) . . ?
S014 Au0C Au03 143.67(14) . . ?
S014 Au0C Au08 116.70(15) . . ?
S014 Au0C Au09 133.63(15) . . ?
S014 Au0C Au0B 106.39(13) . . ?
S014 Au0C Cd0S 97.54(14) . . ?
Au01 Au0D Au0A 94.05(3) . . ?
Au01 Au0D Au0N 119.29(4) . . ?
Au02 Au0D Au01 54.84(3) . . ?
Au02 Au0D Au05 109.01(4) . . ?
Au02 Au0D Au0A 124.16(4) . . ?
Au02 Au0D Au0H 105.47(4) . . ?
Au02 Au0D Au0N 64.94(3) . . ?
Au05 Au0D Au01 55.43(3) . . ?
Au05 Au0D Au0A 51.41(3) . . ?
Au05 Au0D Au0H 101.97(4) . . ?
Au05 Au0D Au0N 160.15(4) . . ?
Au06 Au0D Au01 62.51(3) . . ?
Au06 Au0D Au02 64.99(3) . . ?
Au06 Au0D Au05 73.50(4) . . ?
Au06 Au0D Au0A 59.35(3) . . ?
Au06 Au0D Au0H 62.11(3) . . ?
Au06 Au0D Au0K 143.50(5) . . ?
Au06 Au0D Au0L 118.89(4) . . ?
Au06 Au0D Au0N 87.14(4) . . ?
Au06 Au0D Au0Q 153.98(5) . . ?
Au0H Au0D Au01 124.19(4) . . ?
Au0H Au0D Au0A 51.09(3) . . ?
Au0H Au0D Au0N 63.92(3) . . ?
Au0K Au0D Au01 98.39(4) . . ?
Au0K Au0D Au02 131.33(4) . . ?
Au0K Au0D Au05 70.16(3) . . ?
Au0K Au0D Au0A 94.20(4) . . ?
Au0K Au0D Au0H 122.62(4) . . ?
Au0K Au0D Au0L 60.38(3) . . ?
Au0K Au0D Au0N 128.69(4) . . ?
Au0L Au0D Au01 147.51(4) . . ?
Au0L Au0D Au02 157.64(5) . . ?
Au0L Au0D Au05 92.74(4) . . ?
Au0L Au0D Au0A 65.79(3) . . ?
Au0L Au0D Au0H 63.54(3) . . ?
Au0L Au0D Au0N 92.83(4) . . ?
Au0N Au0D Au0A 114.68(4) . . ?
Au0Q Au0D Au01 135.25(4) . . ?
Au0Q Au0D Au02 107.15(4) . . ?
Au0Q Au0D Au05 130.85(4) . . ?
Au0Q Au0D Au0A 124.64(4) . . ?
Au0Q Au0D Au0H 99.21(4) . . ?
Au0Q Au0D Au0K 61.04(4) . . ?
Au0Q Au0D Au0L 58.89(3) . . ?
Au0Q Au0D Au0N 67.66(3) . . ?
Au05 Au0E Au0A 58.81(3) . . ?
Au05 Au0E Au0G 60.69(3) . . ?
Au05 Au0E Au0I 98.61(4) . . ?
Au05 Au0E Au0P 89.23(4) . . ?
Au0A Au0E Au0I 66.25(3) . . ?
Au0A Au0E Au0P 144.29(4) . . ?
Au0G Au0E Au0A 60.45(3) . . ?
Au0G Au0E Au0I 126.02(4) . . ?
Au0G Au0E Au0P 119.99(4) . . ?
Au0I Au0E Au0P 107.74(4) . . ?
S15 Au0E Au05 136.49(14) . . ?
S15 Au0E Au0A 155.25(14) . . ?
S15 Au0E Au0G 140.56(13) . . ?
S15 Au0E Au0I 90.09(13) . . ?
S15 Au0E Au0P 47.85(14) . . ?
Au0J Au0F Au0A 53.08(3) . . ?
Au0J Au0F Au0O 93.15(4) . . ?
Au0O Au0F Au0A 71.87(3) . . ?
S0Z Au0F Au0A 104.71(13) . . ?
S0Z Au0F Au0J 84.54(13) . . ?
S0Z Au0F Au0O 49.25(14) . . ?
S0Z Au0F S017 171.99(19) . . ?
S017 Au0F Au0A 83.29(14) . . ?
S017 Au0F Au0J 100.87(13) . . ?
S017 Au0F Au0O 135.37(14) . . ?
Au05 Au0G Au0A 58.24(3) . . ?
Au05 Au0G Au0K 68.13(3) . . ?
Au05 Au0G Au0L 92.62(4) . . ?
Au0A Au0G Au0K 99.21(4) . . ?
Au0A Au0G Au0L 70.95(3) . . ?
Au0E Au0G Au05 59.04(3) . . ?
Au0E Au0G Au0A 60.30(3) . . ?
Au0E Au0G Au0K 126.49(4) . . ?
Au0E Au0G Au0L 131.06(4) . . ?
Au0L Au0G Au0K 55.67(3) . . ?
P019 Au0G Au05 159.08(15) . . ?
P019 Au0G Au0A 141.55(15) . . ?
P019 Au0G Au0E 119.33(15) . . ?
P019 Au0G Au0K 106.67(15) . . ?
P019 Au0G Au0L 100.92(15) . . ?
Au06 Au0H Au0D 54.26(3) . . ?
Au06 Au0H Au0L 104.47(4) . . ?
Au06 Au0H Au0N 81.66(3) . . ?
Au06 Au0H Au0O 140.97(4) . . ?
Au0A Au0H Au06 64.11(3) . . ?
Au0A Au0H Au0D 70.32(3) . . ?
Au0A Au0H Au0J 58.90(3) . . ?
Au0A Au0H Au0L 70.33(3) . . ?
Au0A Au0H Au0N 130.74(4) . . ?
Au0A Au0H Au0O 77.84(3) . . ?
Au0D Au0H Au0L 55.24(3) . . ?
Au0D Au0H Au0N 60.88(3) . . ?
Au0D Au0H Au0O 121.35(4) . . ?
Au0J Au0H Au06 56.89(3) . . ?
Au0J Au0H Au0D 106.31(4) . . ?
Au0J Au0H Au0L 129.13(4) . . ?
Au0J Au0H Au0N 128.64(4) . . ?
Au0J Au0H Au0O 96.75(4) . . ?
Au0L Au0H Au0N 86.64(3) . . ?
Au0O Au0H Au0L 68.23(3) . . ?
Au0O Au0H Au0N 133.48(4) . . ?
S018 Au0H Au06 126.97(13) . . ?
S018 Au0H Au0A 150.17(14) . . ?
S018 Au0H Au0D 93.69(14) . . ?
S018 Au0H Au0J 150.72(14) . . ?
S018 Au0H Au0L 79.86(14) . . ?
S018 Au0H Au0N 45.45(13) . . ?
S018 Au0H Au0O 90.52(13) . . ?
Au0E Au0I Au0A 53.10(3) . . ?
Au0E Au0I Au0J 103.41(4) . . ?
Au0J Au0I Au0A 50.47(3) . . ?
S00W Au0I Au0A 107.70(13) . . ?
S00W Au0I Au0E 108.44(14) . . ?
S00W Au0I Au0J 89.71(13) . . ?
S00W Au0I S017 170.69(19) . . ?
S017 Au0I Au0A 81.47(14) . . ?
S017 Au0I Au0E 78.13(14) . . ?
S017 Au0I Au0J 95.21(14) . . ?
Au06 Au0J Au0F 134.64(4) . . ?
Au06 Au0J Au0H 64.90(3) . . ?
Au06 Au0J Au0I 96.31(4) . . ?
Au06 Au0J Au0M 63.60(3) . . ?
Au0A Au0J Au06 67.53(3) . . ?
Au0A Au0J Au0F 67.34(3) . . ?
Au0A Au0J Au0H 59.77(3) . . ?
Au0A Au0J Au0I 66.25(3) . . ?
Au0A Au0J Au0M 124.92(4) . . ?
Au0F Au0J Au0I 69.46(3) . . ?
Au0F Au0J Au0M 155.65(4) . . ?
Au0H Au0J Au0F 88.46(4) . . ?
Au0H Au0J Au0I 126.01(4) . . ?
Au0H Au0J Au0M 115.84(4) . . ?
Au0I Au0J Au0M 95.21(3) . . ?
S13 Au0J Au06 109.06(13) . . ?
S13 Au0J Au0A 148.79(14) . . ?
S13 Au0J Au0F 111.69(14) . . ?
S13 Au0J Au0H 149.20(15) . . ?
S13 Au0J Au0I 83.91(14) . . ?
S13 Au0J Au0M 45.96(13) . . ?
Au03 Au0K Au05 55.59(3) . . ?
Au03 Au0K Au0G 100.53(4) . . ?
Au0D Au0K Au03 81.62(4) . . ?
Au0D Au0K Au05 57.55(3) . . ?
Au0D Au0K Au0G 86.40(4) . . ?
Au0D Au0K Au0L 60.94(3) . . ?
Au0D Au0K Au0Q 59.37(3) . . ?
Au0G Au0K Au05 52.46(3) . . ?
Au0L Au0K Au03 137.71(4) . . ?
Au0L Au0K Au05 86.21(3) . . ?
Au0L Au0K Au0G 60.82(3) . . ?
Au0Q Au0K Au03 119.53(4) . . ?
Au0Q Au0K Au05 116.66(4) . . ?
Au0Q Au0K Au0G 119.02(4) . . ?
Au0Q Au0K Au0L 58.55(3) . . ?
S011 Au0K Au03 52.97(12) . . ?
S011 Au0K Au05 86.75(12) . . ?
S011 Au0K Au0D 133.93(13) . . ?
S011 Au0K Au0G 93.93(13) . . ?
S011 Au0K Au0L 152.16(13) . . ?
S011 Au0K Au0Q 146.62(13) . . ?
Au0A Au0L Au0O 65.00(3) . . ?
Au0D Au0L Au0A 64.26(3) . . ?
Au0D Au0L Au0G 86.71(4) . . ?
Au0D Au0L Au0H 61.22(3) . . ?
Au0D Au0L Au0O 115.06(4) . . ?
Au0G Au0L Au0A 52.55(3) . . ?
Au0G Au0L Au0H 102.77(4) . . ?
Au0G Au0L Au0O 92.81(4) . . ?
Au0H Au0L Au0A 50.22(3) . . ?
Au0H Au0L Au0O 55.72(3) . . ?
Au0K Au0L Au0A 92.41(4) . . ?
Au0K Au0L Au0D 58.67(3) . . ?
Au0K Au0L Au0G 63.51(3) . . ?
Au0K Au0L Au0H 118.69(4) . . ?
Au0K Au0L Au0O 154.91(4) . . ?
Au0Q Au0L Au0A 123.48(4) . . ?
Au0Q Au0L Au0D 59.27(3) . . ?
Au0Q Au0L Au0G 123.68(4) . . ?
Au0Q Au0L Au0H 97.91(4) . . ?
Au0Q Au0L Au0K 60.56(3) . . ?
Au0Q Au0L Au0O 140.56(4) . . ?
S010 Au0L Au0A 94.27(14) . . ?
S010 Au0L Au0D 156.41(15) . . ?
S010 Au0L Au0G 87.39(15) . . ?
S010 Au0L Au0H 98.03(15) . . ?
S010 Au0L Au0K 136.44(15) . . ?
S010 Au0L Au0O 42.52(14) . . ?
S010 Au0L Au0Q 140.37(14) . . ?
Au06 Au0M Au04 51.85(3) . . ?
Au06 Au0M Au0J 50.30(3) . . ?
Au0J Au0M Au04 101.33(3) . . ?
S0Y Au0M Au04 45.73(13) . . ?
S0Y Au0M Au06 94.78(13) . . ?
S0Y Au0M Au0J 144.83(13) . . ?
S13 Au0M Au04 144.68(14) . . ?
S13 Au0M Au06 97.38(13) . . ?
S13 Au0M Au0J 47.51(13) . . ?
S13 Au0M S0Y 167.63(18) . . ?
Au02 Au0N Au0H 90.97(3) . . ?
Au02 Au0N Au0Q 86.41(3) . . ?
Au0D Au0N Au02 52.63(3) . . ?
Au0D Au0N Au0H 55.19(3) . . ?
Au0D Au0N Au0Q 49.71(3) . . ?
Au0H Au0N Au0Q 82.97(3) . . ?
S0V Au0N Au02 47.43(13) . . ?
S0V Au0N Au0D 96.73(14) . . ?
S0V Au0N Au0H 135.56(13) . . ?
S0V Au0N Au0Q 105.23(14) . . ?
S018 Au0N Au02 138.13(15) . . ?
S018 Au0N Au0D 90.74(15) . . ?
S018 Au0N Au0H 47.79(14) . . ?
S018 Au0N Au0Q 82.12(15) . . ?
S018 Au0N S0V 171.8(2) . . ?
Au0F Au0O Au0L 110.91(4) . . ?
Au0H Au0O Au0F 80.88(3) . . ?
Au0H Au0O Au0L 56.05(3) . . ?
S0Z Au0O Au0F 49.17(15) . . ?
S0Z Au0O Au0H 81.24(12) . . ?
S0Z Au0O Au0L 136.75(12) . . ?
S010 Au0O Au0F 128.41(15) . . ?
S010 Au0O Au0H 100.10(13) . . ?
S010 Au0O Au0L 44.27(13) . . ?
S010 Au0O S0Z 177.1(2) . . ?
S0X Au0P Au0E 127.91(13) . . ?
S15 Au0P Au0E 49.55(14) . . ?
S15 Au0P S0X 165.46(18) . . ?
Au0D Au0Q Au0K 59.59(3) . . ?
Au0D Au0Q Au0N 62.63(3) . . ?
Au0D Au0Q Au0R 102.67(4) . . ?
Au0K Au0Q Au0N 122.22(4) . . ?
Au0K Au0Q Au0R 101.12(4) . . ?
Au0L Au0Q Au0D 61.84(3) . . ?
Au0L Au0Q Au0K 60.88(3) . . ?
Au0L Au0Q Au0N 91.49(4) . . ?
Au0L Au0Q Au0R 160.08(5) . . ?
Au0R Au0Q Au0N 91.75(4) . . ?
S01A Au0Q Au0D 140.15(15) . . ?
S01A Au0Q Au0K 142.26(16) . . ?
S01A Au0Q Au0L 149.61(15) . . ?
S01A Au0Q Au0N 86.86(15) . . ?
S01A Au0Q Au0R 50.25(15) . . ?
S0U Au0R Au0Q 130.47(14) . . ?
S0U Au0R S01A 177.1(2) . . ?
S01A Au0R Au0Q 51.22(15) . . ?
Au01 Cd0S Au04 57.43(3) . . ?
Au01 Cd0S Au07 57.78(3) . . ?
Au01 Cd0S Au08 58.58(3) . . ?
Au01 Cd0S Au0B 57.03(3) . . ?
Au01 Cd0S Au0C 56.62(3) . . ?
Au04 Cd0S Au08 108.14(5) . . ?
Au04 Cd0S Au0B 57.23(3) . . ?
Au04 Cd0S Au0C 105.13(5) . . ?
Au07 Cd0S Au04 62.02(3) . . ?
Au07 Cd0S Au08 58.50(3) . . ?
Au07 Cd0S Au0B 106.78(5) . . ?
Au07 Cd0S Au0C 105.46(4) . . ?
Au08 Cd0S Au0B 107.70(5) . . ?
Au08 Cd0S Au0C 59.73(3) . . ?
Au0B Cd0S Au0C 59.66(3) . . ?
S16 Cd0S Au01 153.30(14) . . ?
S16 Cd0S Au04 117.83(14) . . ?
S16 Cd0S Au07 147.13(14) . . ?
S16 Cd0S Au08 134.03(15) . . ?
S16 Cd0S Au0B 97.38(14) . . ?
S16 Cd0S Au0C 105.89(13) . . ?
S012 Cd0T S014 108.53(18) . . ?
S012 Cd0T S16 110.56(18) . . ?
S014 Cd0T S16 103.35(18) . . ?
Cl1B Cd0T S012 109.0(2) . . ?
Cl1B Cd0T S014 113.0(2) . . ?
Cl1B Cd0T S16 112.3(2) . . ?
Au0R S0U Au09 95.36(19) . . ?
C02R S0U Au09 112.1(6) . . ?
C02R S0U Au0R 103.5(6) . . ?
Au0N S0V Au02 86.45(17) . . ?
C02V S0V Au02 108.2(8) . . ?
C02V S0V Au0N 103.8(7) . . ?
Au0I S00W Au07 101.1(2) . . ?
C58 S00W Au07 110.3(7) . . ?
C58 S00W Au0I 106.0(7) . . ?
Au0P S0X Au08 92.79(18) . . ?
C02O S0X Au08 106.5(7) . . ?
C02O S0X Au0P 108.5(7) . . ?
Au0M S0Y Au04 89.47(17) . . ?
C01P S0Y Au04 113.4(7) . . ?
C01P S0Y Au0M 105.3(7) . . ?
Au0F S0Z Au0O 81.58(19) . . ?
C12 S0Z Au0F 106.5(5) . . ?
C12 S0Z Au0O 109.2(5) . . ?
Au0O S010 Au0L 93.21(19) . . ?
C94 S010 Au0L 110.3(6) . . ?
C94 S010 Au0O 108.9(7) . . ?
Au0K S011 Au03 74.08(15) . . ?
C01E S011 Au03 111.0(6) . . ?
C01E S011 Au0K 108.9(6) . . ?
Au0B S012 Cd0T 92.02(18) . . ?
C023 S012 Au0B 107.7(6) . . ?
C023 S012 Cd0T 112.3(6) . . ?
Au0M S13 Au0J 86.53(19) . . ?
C3 S13 Au0J 110.6(6) . . ?
C3 S13 Au0M 109.7(6) . . ?
Au0C S014 Cd0T 96.8(2) . . ?
C02U S014 Au0C 106.9(6) . . ?
C02U S014 Cd0T 109.5(6) . . ?
Au0P S15 Au0E 82.60(18) . . ?
C026 S15 Au0E 112.1(6) . . ?
C026 S15 Au0P 116.5(6) . . ?
Cd0S S16 Cd0T 94.24(18) . . ?
C03Z S16 Cd0S 106.4(6) . . ?
C03Z S16 Cd0T 109.6(6) . . ?
Au0I S017 Au0F 94.4(2) . . ?
C01T S017 Au0F 102.2(7) . . ?
C01T S017 Au0I 105.7(6) . . ?
Au0N S018 Au0H 86.76(18) . . ?
C30 S018 Au0H 109.8(6) . . ?
C30 S018 Au0N 107.8(6) . . ?
C030 P019 Au0G 107.8(5) . . ?
C030 P019 C75 109.5(7) . . ?
C030 P019 C2 109.2(7) . . ?
C75 P019 Au0G 120.6(6) . . ?
C2 P019 Au0G 108.7(5) . . ?
C2 P019 C75 100.5(7) . . ?
Au0R S01A Au0Q 78.53(19) . . ?
C47 S01A Au0Q 114.3(9) . . ?
C47 S01A Au0R 108.9(8) . . ?
H01A C01C H01B 108.8 . . ?
C01E C01C H01A 110.6 . . ?
C01E C01C H01B 110.6 . . ?
C01E C01C C01K 105.6(16) . . ?
C01K C01C H01A 110.6 . . ?
C01K C01C H01B 110.6 . . ?
H01C C01D H01D 108.4 . . ?
C02V C01D H01C 110.1 . . ?
C02V C01D H01D 110.1 . . ?
C02V C01D C032 108.1(17) . . ?
C032 C01D H01C 110.1 . . ?
C032 C01D H01D 110.1 . . ?
C01C C01E S011 109.0(14) . . ?
C01Q C01E S011 105.2(15) . . ?
C01Q C01E C01C 112.8(17) . . ?
C01Q C01E C02Q 111.0(18) . . ?
C02Q C01E S011 106.1(13) . . ?
C02Q C01E C01C 112.2(18) . . ?
C01O C01I H01I 110.7 . . ?
C02H C01I H01I 110.7 . . ?
C02H C01I C01O 107.9(16) . . ?
C02N C01I H01I 110.7 . . ?
C02N C01I C01O 108.7(16) . . ?
C02N C01I C02H 108.1(16) . . ?
C01C C01K H01K 110.2 . . ?
C01R C01K C01C 109.0(19) . . ?
C01R C01K H01K 110.2 . . ?
C01R C01K C022 109.9(18) . . ?
C022 C01K C01C 107.4(16) . . ?
C022 C01K H01K 110.2 . . ?
H01E C01M H01F 108.1 . . ?
C02U C01M H01E 109.5 . . ?
C02U C01M H01F 109.5 . . ?
C02U C01M C7 111(2) . . ?
C7 C01M H01E 109.5 . . ?
C7 C01M H01F 109.5 . . ?
C01I C01O H01G 110.0 . . ?
C01I C01O H01H 110.0 . . ?
C01I C01O C023 108.3(14) . . ?
H01G C01O H01H 108.4 . . ?
C023 C01O H01G 110.0 . . ?
C023 C01O H01H 110.0 . . ?
C01U C01P S0Y 114.7(14) . . ?
C01U C01P C02Y 105.4(18) . . ?
C01U C01P C03D 106.8(17) . . ?
C02Y C01P S0Y 111.4(14) . . ?
C03D C01P S0Y 108.6(14) . . ?
C03D C01P C02Y 109.7(16) . . ?
C01E C01Q H01J 110.5 . . ?
C01E C01Q H01L 110.5 . . ?
C01E C01Q C03G 106.0(18) . . ?
H01J C01Q H01L 108.7 . . ?
C03G C01Q H01J 110.5 . . ?
C03G C01Q H01L 110.5 . . ?
C01K C01R H01M 109.6 . . ?
C01K C01R H01N 109.6 . . ?
C01K C01R C03G 110(2) . . ?
H01M C01R H01N 108.1 . . ?
C03G C01R H01M 109.6 . . ?
C03G C01R H01N 109.6 . . ?
H01O C01S H01P 107.9 . . ?
C01V C01S H01O 109.2 . . ?
C01V C01S H01P 109.2 . . ?
C023 C01S H01O 109.2 . . ?
C023 C01S H01P 109.2 . . ?
C023 C01S C01V 112.2(17) . . ?
C020 C01T S017 115.6(15) . . ?
C020 C01T C02D 109.7(18) . . ?
C020 C01T C02M 106.8(19) . . ?
C02D C01T S017 107.4(14) . . ?
C02M C01T S017 110.6(14) . . ?
C02M C01T C02D 106.5(18) . . ?
C01P C01U H01Q 108.5 . . ?
C01P C01U H01R 108.5 . . ?
C01P C01U C036 114.9(17) . . ?
H01Q C01U H01R 107.5 . . ?
C036 C01U H01Q 108.5 . . ?
C036 C01U H01R 108.5 . . ?
C01S C01V H01V 110.9 . . ?
C02H C01V C01S 108.4(16) . . ?
C02H C01V H01V 110.9 . . ?
C02H C01V C03A 109.1(17) . . ?
C03A C01V C01S 106.5(16) . . ?
C03A C01V H01V 110.9 . . ?
H01S C01W H01T 108.0 . . ?
C034 C01W H01S 109.3 . . ?
C034 C01W H01T 109.3 . . ?
C034 C01W C03K 111(2) . . ?
C03K C01W H01S 109.3 . . ?
C03K C01W H01T 109.3 . . ?
H01U C01X H01W 108.5 . . ?
C02V C01X H01U 110.3 . . ?
C02V C01X H01W 110.3 . . ?
C02V C01X C038 107.1(17) . . ?
C038 C01X H01U 110.3 . . ?
C038 C01X H01W 110.3 . . ?
H01X C01Y H01Y 108.2 . . ?
C02L C01Y H01X 109.7 . . ?
C02L C01Y H01Y 109.7 . . ?
C03G C01Y H01X 109.7 . . ?
C03G C01Y H01Y 109.7 . . ?
C03G C01Y C02L 109.7(19) . . ?
H01Z C01Z H 108.2 . . ?
C02O C01Z H01Z 109.8 . . ?
C02O C01Z H 109.8 . . ?
C02O C01Z C034 109.4(15) . . ?
C034 C01Z H01Z 109.8 . . ?
C034 C01Z H 109.8 . . ?
C01T C020 H02A 109.5 . . ?
C01T C020 H02B 109.5 . . ?
C01T C020 C10 110.9(19) . . ?
H02A C020 H02B 108.0 . . ?
C10 C020 H02A 109.5 . . ?
C10 C020 H02B 109.5 . . ?
C01K C022 H02C 109.6 . . ?
C01K C022 H02D 109.6 . . ?
H02C C022 H02D 108.1 . . ?
C02L C022 C01K 110.4(18) . . ?
C02L C022 H02C 109.6 . . ?
C02L C022 H02D 109.6 . . ?
C01O C023 S012 106.5(13) . . ?
C01S C023 S012 112.1(14) . . ?
C01S C023 C01O 107.9(17) . . ?
C01S C023 C02Z 110.3(17) . . ?
C02Z C023 S012 108.2(14) . . ?
C02Z C023 C01O 111.8(16) . . ?
C037 C026 S15 109.7(11) . . ?
C037 C026 C71 109.3(8) . . ?
C037 C026 C73 109.7(8) . . ?
C71 C026 S15 114.1(11) . . ?
C73 C026 S15 105.5(11) . . ?
C73 C026 C71 108.5(8) . . ?
H02E C02C H02F 108.1 . . ?
C02O C02C H02E 109.5 . . ?
C02O C02C H02F 109.5 . . ?
C03K C02C H02E 109.5 . . ?
C03K C02C H02F 109.5 . . ?
C03K C02C C02O 110.7(15) . . ?
C01T C02D H02G 110.0 . . ?
C01T C02D H02H 110.0 . . ?
C01T C02D C17 108.5(18) . . ?
H02G C02D H02H 108.4 . . ?
C17 C02D H02G 110.0 . . ?
C17 C02D H02H 110.0 . . ?
H02I C02F H02J 108.3 . . ?
C038 C02F H02I 109.9 . . ?
C038 C02F H02J 109.9 . . ?
C038 C02F C03C 109.0(18) . . ?
C03C C02F H02I 109.9 . . ?
C03C C02F H02J 109.9 . . ?
C01I C02H H02K 109.4 . . ?
C01I C02H H02L 109.4 . . ?
C01V C02H C01I 111.2(18) . . ?
C01V C02H H02K 109.4 . . ?
C01V C02H H02L 109.4 . . ?
H02K C02H H02L 108.0 . . ?
H02M C02I H02N 108.7 . . ?
C02O C02I H02M 110.5 . . ?
C02O C02I H02N 110.5 . . ?
C02O C02I C89 106.2(16) . . ?
C89 C02I H02M 110.5 . . ?
C89 C02I H02N 110.5 . . ?
C01Y C02L H02O 109.4 . . ?
C022 C02L C01Y 110.2(19) . . ?
C022 C02L H02O 109.4 . . ?
C022 C02L C02Q 109.9(17) . . ?
C02Q C02L C01Y 108.6(18) . . ?
C02Q C02L H02O 109.4 . . ?
C01T C02M H02P 108.6 . . ?
C01T C02M H02Q 108.6 . . ?
H02P C02M H02Q 107.6 . . ?
C29 C02M C01T 114(2) . . ?
C29 C02M H02P 108.6 . . ?
C29 C02M H02Q 108.6 . . ?
C01I C02N H02R 108.4 . . ?
C01I C02N H02S 108.4 . . ?
C01I C02N C03H 115.5(18) . . ?
H02R C02N H02S 107.5 . . ?
C03H C02N H02R 108.4 . . ?
C03H C02N H02S 108.4 . . ?
C01Z C02O S0X 113.9(14) . . ?
C01Z C02O C02C 111.3(16) . . ?
C01Z C02O C02I 110.9(14) . . ?
C02C C02O S0X 108.8(13) . . ?
C02I C02O S0X 105.1(15) . . ?
C02I C02O C02C 106.4(13) . . ?
H02T C02P H02U 108.3 . . ?
C02V C02P H02T 109.9 . . ?
C02V C02P H02U 109.9 . . ?
C02V C02P C03C 108.7(18) . . ?
C03C C02P H02T 109.9 . . ?
C03C C02P H02U 109.9 . . ?
C01E C02Q C02L 109.1(17) . . ?
C01E C02Q H02V 109.9 . . ?
C01E C02Q H02W 109.9 . . ?
C02L C02Q H02V 109.9 . . ?
C02L C02Q H02W 109.9 . . ?
H02V C02Q H02W 108.3 . . ?
C41 C02R S0U 112.8(12) . . ?
C92 C02R S0U 112.1(12) . . ?
C92 C02R C41 108.3(9) . . ?
C92 C02R C111 108.4(9) . . ?
C111 C02R S0U 107.4(12) . . ?
C111 C02R C41 107.8(9) . . ?
C41A C02R S0U 117.5(16) . . ?
C41A C02R C1A 108(3) . . ?
C1A C02R S0U 100.1(15) . . ?
C92A C02R S0U 108.2(16) . . ?
C92A C02R C41A 117(3) . . ?
C92A C02R C1A 104(3) . . ?
C01M C02U S014 112.0(14) . . ?
C01M C02U C64 111.3(19) . . ?
C64 C02U S014 109.0(14) . . ?
C26 C02U S014 108.6(14) . . ?
C26 C02U C01M 107.3(19) . . ?
C26 C02U C64 108.5(18) . . ?
C01D C02V S0V 109.7(15) . . ?
C01X C02V S0V 108.6(15) . . ?
C01X C02V C01D 104.0(18) . . ?
C02P C02V S0V 113.0(16) . . ?
C02P C02V C01D 111.8(19) . . ?
C02P C02V C01X 109.2(18) . . ?
C01P C02Y H02X 109.5 . . ?
C01P C02Y H02Y 109.5 . . ?
H02X C02Y H02Y 108.1 . . ?
C135 C02Y C01P 110.6(17) . . ?
C135 C02Y H02X 109.5 . . ?
C135 C02Y H02Y 109.5 . . ?
C023 C02Z H02Z 109.8 . . ?
C023 C02Z HA 109.8 . . ?
C023 C02Z C03H 109.3(17) . . ?
H02Z C02Z HA 108.3 . . ?
C03H C02Z H02Z 109.8 . . ?
C03H C02Z HA 109.8 . . ?
C86 C030 P019 120.2(9) . . ?
C86 C030 N85 120.0 . . ?
N85 C030 P019 119.8(9) . . ?
C030 C86 H86 120.0 . . ?
C030 C86 C87 120.0 . . ?
C87 C86 H86 120.0 . . ?
C86 C87 H87 120.0 . . ?
C88 C87 C86 120.0 . . ?
C88 C87 H87 120.0 . . ?
C87 C88 H88 120.0 . . ?
C87 C88 C118 120.0 . . ?
C118 C88 H88 120.0 . . ?
C88 C118 H118 120.0 . . ?
C88 C118 N85 120.0 . . ?
N85 C118 H118 120.0 . . ?
C118 N85 C030 120.0 . . ?
C01D C032 H032 108.7 . . ?
C03F C032 C01D 109.1(18) . . ?
C03F C032 H032 108.7 . . ?
C03F C032 C03X 112.8(19) . . ?
C03X C032 C01D 108.9(18) . . ?
C03X C032 H032 108.7 . . ?
C01W C034 C01Z 104.7(17) . . ?
C01W C034 H034 110.4 . . ?
C01W C034 C03N 113(2) . . ?
C01Z C034 H034 110.4 . . ?
C03N C034 C01Z 108.0(19) . . ?
C03N C034 H034 110.4 . . ?
C01U C036 H036 109.4 . . ?
C01U C036 C72 107.1(17) . . ?
C70 C036 C01U 110.3(18) . . ?
C70 C036 H036 109.4 . . ?
C70 C036 C72 111.1(17) . . ?
C72 C036 H036 109.4 . . ?
C026 C037 H03A 109.8 . . ?
C026 C037 H03B 109.8 . . ?
C026 C037 C82 109.5(15) . . ?
H03A C037 H03B 108.2 . . ?
C82 C037 H03A 109.8 . . ?
C82 C037 H03B 109.8 . . ?
C01X C038 H038 107.5 . . ?
C02F C038 C01X 113.6(18) . . ?
C02F C038 H038 107.5 . . ?
C02F C038 C03F 110.5(19) . . ?
C03F C038 C01X 110.1(18) . . ?
C03F C038 H038 107.5 . . ?
C01V C03A H03C 109.1 . . ?
C01V C03A H03D 109.1 . . ?
H03C C03A H03D 107.8 . . ?
C03H C03A C01V 112.5(17) . . ?
C03H C03A H03C 109.1 . . ?
C03H C03A H03D 109.1 . . ?
C02F C03C C02P 109.5(18) . . ?
C02F C03C H03E 107.8 . . ?
C02F C03C C03X 112.9(19) . . ?
C02P C03C H03E 107.8 . . ?
C03X C03C C02P 110.8(18) . . ?
C03X C03C H03E 107.8 . . ?
C01P C03D H03F 109.2 . . ?
C01P C03D H03G 109.2 . . ?
C01P C03D C152 112.1(17) . . ?
H03F C03D H03G 107.9 . . ?
C152 C03D H03F 109.2 . . ?
C152 C03D H03G 109.2 . . ?
C032 C03F C038 108.6(18) . . ?
C032 C03F H03H 110.0 . . ?
C032 C03F H03I 110.0 . . ?
C038 C03F H03H 110.0 . . ?
C038 C03F H03I 110.0 . . ?
H03H C03F H03I 108.4 . . ?
C01Q C03G H03J 109.7 . . ?
C01R C03G C01Q 108(2) . . ?
C01R C03G H03J 109.7 . . ?
C01Y C03G C01Q 107.8(19) . . ?
C01Y C03G C01R 112(2) . . ?
C01Y C03G H03J 109.7 . . ?
C02N C03H H03K 111.4 . . ?
C02Z C03H C02N 107.4(17) . . ?
C02Z C03H H03K 111.4 . . ?
C03A C03H C02N 104.5(18) . . ?
C03A C03H C02Z 110.5(18) . . ?
C03A C03H H03K 111.4 . . ?
C01W C03K H03L 110.2 . . ?
C02C C03K C01W 106.0(17) . . ?
C02C C03K H03L 110.2 . . ?
C93 C03K C01W 112(2) . . ?
C93 C03K C02C 108(2) . . ?
C93 C03K H03L 110.2 . . ?
C034 C03N H03M 109.6 . . ?
C034 C03N H03N 109.6 . . ?
H03M C03N H03N 108.1 . . ?
C89 C03N C034 110(2) . . ?
C89 C03N H03M 109.6 . . ?
C89 C03N H03N 109.6 . . ?
H03O C03V H03P 108.3 . . ?
C135 C03V H03O 109.8 . . ?
C135 C03V H03P 109.8 . . ?
C152 C03V H03O 109.8 . . ?
C152 C03V H03P 109.8 . . ?
C152 C03V C135 109.3(17) . . ?
C032 C03X H03Q 110.8 . . ?
C032 C03X H03R 110.8 . . ?
C03C C03X C032 104.8(19) . . ?
C03C C03X H03Q 110.8 . . ?
C03C C03X H03R 110.8 . . ?
H03Q C03X H03R 108.9 . . ?
C108 C03Z S16 116.0(11) . . ?
C108 C03Z C136 105.9(8) . . ?
C124 C03Z S16 109.1(12) . . ?
C124 C03Z C108 107.7(8) . . ?
C124 C03Z C136 106.9(8) . . ?
C136 C03Z S16 110.8(13) . . ?
C01M C7 H7 110.4 . . ?
C01M C7 C24 102.8(18) . . ?
C24 C7 H7 110.4 . . ?
C33 C7 C01M 115(2) . . ?
C33 C7 H7 110.4 . . ?
C33 C7 C24 107.2(18) . . ?
C02U C64 H64A 109.3 . . ?
C02U C64 H64B 109.3 . . ?
H64A C64 H64B 107.9 . . ?
C110 C64 C02U 112(2) . . ?
C110 C64 H64A 109.3 . . ?
C110 C64 H64B 109.3 . . ?
C64 C110 H110 111.2 . . ?
C64 C110 C6 101.4(18) . . ?
C6 C110 H110 111.2 . . ?
C33 C110 C64 114(2) . . ?
C33 C110 H110 111.2 . . ?
C33 C110 C6 107.6(19) . . ?
C6 C1 H1 113.8 . . ?
C24 C1 H1 113.8 . . ?
C24 C1 C6 103.8(19) . . ?
C24 C1 C26 106.6(19) . . ?
C26 C1 H1 113.8 . . ?
C26 C1 C6 104.2(18) . . ?
C110 C6 H6A 107.8 . . ?
C110 C6 H6B 107.8 . . ?
C1 C6 C110 118.2(19) . . ?
C1 C6 H6A 107.8 . . ?
C1 C6 H6B 107.8 . . ?
H6A C6 H6B 107.1 . . ?
C7 C24 H24A 108.1 . . ?
C7 C24 H24B 108.1 . . ?
C1 C24 C7 117(2) . . ?
C1 C24 H24A 108.1 . . ?
C1 C24 H24B 108.1 . . ?
H24A C24 H24B 107.3 . . ?
C02U C26 C1 112.1(19) . . ?
C02U C26 H26A 109.2 . . ?
C02U C26 H26B 109.2 . . ?
C1 C26 H26A 109.2 . . ?
C1 C26 H26B 109.2 . . ?
H26A C26 H26B 107.9 . . ?
C7 C33 H33A 109.8 . . ?
C7 C33 H33B 109.8 . . ?
C110 C33 C7 109(2) . . ?
C110 C33 H33A 109.8 . . ?
C110 C33 H33B 109.8 . . ?
H33A C33 H33B 108.3 . . ?
C98 C21 H21 110.8 . . ?
C98 C21 C136 104.6(15) . . ?
C136 C21 H21 110.8 . . ?
C191 C21 H21 110.8 . . ?
C191 C21 C98 114.7(12) . . ?
C191 C21 C136 104.7(10) . . ?
C98 C27 H27 109.0 . . ?
C98 C27 C108 102.7(14) . . ?
C98 C27 C175 110.8(9) . . ?
C108 C27 H27 109.0 . . ?
C175 C27 H27 109.0 . . ?
C175 C27 C108 115.9(13) . . ?
C21 C98 C27 111.5(10) . . ?
C21 C98 H98A 109.3 . . ?
C21 C98 H98B 109.3 . . ?
C27 C98 H98A 109.3 . . ?
C27 C98 H98B 109.3 . . ?
H98A C98 H98B 108.0 . . ?
C03Z C108 H10A 109.3 . . ?
C03Z C108 H10B 109.3 . . ?
C27 C108 C03Z 111.5(8) . . ?
C27 C108 H10A 109.3 . . ?
C27 C108 H10B 109.3 . . ?
H10A C108 H10B 108.0 . . ?
C03Z C124 H12A 109.2 . . ?
C03Z C124 H12B 109.2 . . ?
C03Z C124 C134 112.0(7) . . ?
H12A C124 H12B 107.9 . . ?
C134 C124 H12A 109.2 . . ?
C134 C124 H12B 109.2 . . ?
C124 C134 H134 108.6 . . ?
C175 C134 C124 114.6(13) . . ?
C175 C134 H134 108.6 . . ?
C175 C134 C191 112.0(8) . . ?
C191 C134 C124 104.2(10) . . ?
C191 C134 H134 108.6 . . ?
C03Z C136 H13A 109.1 . . ?
C03Z C136 H13B 109.1 . . ?
C21 C136 C03Z 112.4(7) . . ?
C21 C136 H13A 109.1 . . ?
C21 C136 H13B 109.1 . . ?
H13A C136 H13B 107.9 . . ?
C27 C175 H17A 110.6 . . ?
C27 C175 H17B 110.6 . . ?
C134 C175 C27 105.7(10) . . ?
C134 C175 H17A 110.6 . . ?
C134 C175 H17B 110.6 . . ?
H17A C175 H17B 108.7 . . ?
C21 C191 C134 110.6(8) . . ?
C21 C191 H19A 109.5 . . ?
C21 C191 H19B 109.5 . . ?
C134 C191 H19A 109.5 . . ?
C134 C191 H19B 109.5 . . ?
H19A C191 H19B 108.1 . . ?
C036 C70 H70A 109.8 . . ?
C036 C70 H70B 109.8 . . ?
C036 C70 C135 109(2) . . ?
H70A C70 H70B 108.3 . . ?
C135 C70 H70A 109.8 . . ?
C135 C70 H70B 109.8 . . ?
C036 C72 H72A 110.4 . . ?
C036 C72 H72B 110.4 . . ?
H72A C72 H72B 108.6 . . ?
C152 C72 C036 106.7(16) . . ?
C152 C72 H72A 110.4 . . ?
C152 C72 H72B 110.4 . . ?
C02Y C135 C03V 109.7(18) . . ?
C02Y C135 C70 111.3(18) . . ?
C02Y C135 H135 109.5 . . ?
C03V C135 H135 109.5 . . ?
C70 C135 C03V 107.3(17) . . ?
C70 C135 H135 109.5 . . ?
C03D C152 H152 109.4 . . ?
C03V C152 C03D 105.9(17) . . ?
C03V C152 H152 109.4 . . ?
C72 C152 C03D 111.8(17) . . ?
C72 C152 C03V 111(2) . . ?
C72 C152 H152 109.4 . . ?
C8 C3 S13 107.7(12) . . ?
C8 C3 C4 108.8(9) . . ?
C4 C3 S13 112.4(12) . . ?
C5 C3 S13 108.0(12) . . ?
C5 C3 C8 110.1(8) . . ?
C5 C3 C4 109.7(9) . . ?
C3 C8 H8A 110.5 . . ?
C3 C8 H8B 110.5 . . ?
C3 C8 C43 106.3(9) . . ?
H8A C8 H8B 108.7 . . ?
C43 C8 H8A 110.5 . . ?
C43 C8 H8B 110.5 . . ?
C4 C18 H18 109.8 . . ?
C4 C18 C119 106.5(17) . . ?
C62 C18 H18 109.8 . . ?
C62 C18 C4 112.4(16) . . ?
C62 C18 C119 108.4(16) . . ?
C119 C18 H18 109.8 . . ?
C3 C4 C18 110.7(14) . . ?
C3 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
C18 C4 H4A 109.5 . . ?
C18 C4 H4B 109.5 . . ?
H4A C4 H4B 108.1 . . ?
C3 C5 H5A 109.5 . . ?
C3 C5 H5B 109.5 . . ?
C3 C5 C123 110.8(9) . . ?
H5A C5 H5B 108.1 . . ?
C123 C5 H5A 109.5 . . ?
C123 C5 H5B 109.5 . . ?
C18 C62 H62A 109.7 . . ?
C18 C62 H62B 109.7 . . ?
H62A C62 H62B 108.2 . . ?
C123 C62 C18 109.9(9) . . ?
C123 C62 H62A 109.7 . . ?
C123 C62 H62B 109.7 . . ?
C5 C123 H123 110.1 . . ?
C62 C123 C5 109.0(16) . . ?
C62 C123 H123 110.1 . . ?
C51 C123 C5 108.0(11) . . ?
C51 C123 C62 109.6(8) . . ?
C51 C123 H123 110.1 . . ?
C8 C43 H43 108.2 . . ?
C51 C43 C8 108.8(11) . . ?
C51 C43 H43 108.2 . . ?
C51 C43 C119 109.3(16) . . ?
C119 C43 C8 114.1(17) . . ?
C119 C43 H43 108.2 . . ?
C123 C51 C43 109.4(8) . . ?
C123 C51 H51A 109.8 . . ?
C123 C51 H51B 109.8 . . ?
C43 C51 H51A 109.8 . . ?
C43 C51 H51B 109.8 . . ?
H51A C51 H51B 108.2 . . ?
C18 C119 H11A 110.1 . . ?
C18 C119 H11B 110.1 . . ?
C43 C119 C18 108.0(9) . . ?
C43 C119 H11A 110.1 . . ?
C43 C119 H11B 110.1 . . ?
H11A C119 H11B 108.4 . . ?
H11C C11 H11D 108.4 . . ?
C10 C11 H11C 110.1 . . ?
C10 C11 H11D 110.1 . . ?
C29 C11 H11C 110.1 . . ?
C29 C11 H11D 110.1 . . ?
C29 C11 C10 108(2) . . ?
H16A C16 H16B 108.0 . . ?
C17 C16 H16A 109.3 . . ?
C17 C16 H16B 109.3 . . ?
C17 C16 C10 112(2) . . ?
C10 C16 H16A 109.3 . . ?
C10 C16 H16B 109.3 . . ?
C02D C17 H17 108.9 . . ?
C16 C17 C02D 111(2) . . ?
C16 C17 H17 108.9 . . ?
C16 C17 C69 113(2) . . ?
C69 C17 C02D 106(2) . . ?
C69 C17 H17 108.9 . . ?
C020 C10 C11 107.5(19) . . ?
C020 C10 H10 108.6 . . ?
C11 C10 H10 108.6 . . ?
C16 C10 C020 112(2) . . ?
C16 C10 C11 112(2) . . ?
C16 C10 H10 108.6 . . ?
C02M C29 H29 111.5 . . ?
C02M C29 C69 106(2) . . ?
C11 C29 C02M 108(2) . . ?
C11 C29 H29 111.5 . . ?
C11 C29 C69 108(2) . . ?
C69 C29 H29 111.5 . . ?
C17 C69 C29 111(2) . . ?
C17 C69 H69A 109.5 . . ?
C17 C69 H69B 109.5 . . ?
C29 C69 H69A 109.5 . . ?
C29 C69 H69B 109.5 . . ?
H69A C69 H69B 108.1 . . ?
H19C C19 H19D 108.1 . . ?
C12 C19 H19C 109.5 . . ?
C12 C19 H19D 109.5 . . ?
C12 C19 C23 110.8(13) . . ?
C23 C19 H19C 109.5 . . ?
C23 C19 H19D 109.5 . . ?
C19 C12 S0Z 114.4(10) . . ?
C14 C12 S0Z 108.1(10) . . ?
C14 C12 C19 107.4(9) . . ?
C15 C12 S0Z 111.6(11) . . ?
C15 C12 C19 107.7(8) . . ?
C15 C12 C14 107.3(9) . . ?
C12 C14 H14A 108.8 . . ?
C12 C14 H14B 108.8 . . ?
H14A C14 H14B 107.7 . . ?
C20 C14 C12 113.7(14) . . ?
C20 C14 H14A 108.8 . . ?
C20 C14 H14B 108.8 . . ?
C12 C15 H15A 108.6 . . ?
C12 C15 H15B 108.6 . . ?
C12 C15 C25 114.6(14) . . ?
H15A C15 H15B 107.6 . . ?
C25 C15 H15A 108.6 . . ?
C25 C15 H15B 108.6 . . ?
H22A C22 H22B 108.1 . . ?
C23 C22 H22A 109.6 . . ?
C23 C22 H22B 109.6 . . ?
C20 C22 H22A 109.6 . . ?
C20 C22 H22B 109.6 . . ?
C20 C22 C23 110.4(18) . . ?
C19 C23 H23 109.7 . . ?
C22 C23 C19 110.7(16) . . ?
C22 C23 H23 109.7 . . ?
C28 C23 C19 109.1(16) . . ?
C28 C23 C22 107.9(18) . . ?
C28 C23 H23 109.7 . . ?
C14 C20 H20 111.7 . . ?
C22 C20 C14 108.4(16) . . ?
C22 C20 H20 111.7 . . ?
C22 C20 C32 107.4(18) . . ?
C32 C20 C14 105.6(16) . . ?
C32 C20 H20 111.7 . . ?
C15 C25 H25 112.3 . . ?
C28 C25 C15 109.3(16) . . ?
C28 C25 H25 112.3 . . ?
C28 C25 C32 105.6(17) . . ?
C32 C25 C15 104.5(16) . . ?
C32 C25 H25 112.3 . . ?
C23 C28 H28A 109.1 . . ?
C23 C28 H28B 109.1 . . ?
C25 C28 C23 112.5(18) . . ?
C25 C28 H28A 109.1 . . ?
C25 C28 H28B 109.1 . . ?
H28A C28 H28B 107.8 . . ?
C20 C32 H32A 108.2 . . ?
C20 C32 H32B 108.2 . . ?
C25 C32 C20 116.4(19) . . ?
C25 C32 H32A 108.2 . . ?
C25 C32 H32B 108.2 . . ?
H32A C32 H32B 107.3 . . ?
H31A C31 H31B 109.0 . . ?
C30 C31 H31A 111.0 . . ?
C30 C31 H31B 111.0 . . ?
C36 C31 H31A 111.0 . . ?
C36 C31 H31B 111.0 . . ?
C36 C31 C30 103.7(16) . . ?
C39 C40 H40 110.6 . . ?
C39 C40 C35 106.1(18) . . ?
C39 C40 C80 109.8(16) . . ?
C35 C40 H40 110.6 . . ?
C35 C40 C80 108.9(15) . . ?
C80 C40 H40 110.6 . . ?
C31 C30 S018 105.9(12) . . ?
C35 C30 S018 110.7(13) . . ?
C35 C30 C31 108.4(15) . . ?
C34 C30 S018 109.1(12) . . ?
C34 C30 C31 116.7(17) . . ?
C34 C30 C35 106.0(16) . . ?
C31 C36 H36 106.2 . . ?
C37 C36 C31 118(2) . . ?
C37 C36 H36 106.2 . . ?
C37 C36 C80 111.1(17) . . ?
C80 C36 C31 108.1(17) . . ?
C80 C36 H36 106.2 . . ?
C40 C39 H39A 109.2 . . ?
C40 C39 H39B 109.2 . . ?
C40 C39 C38 111.9(18) . . ?
H39A C39 H39B 107.9 . . ?
C38 C39 H39A 109.2 . . ?
C38 C39 H39B 109.2 . . ?
C40 C35 H35A 109.6 . . ?
C40 C35 H35B 109.6 . . ?
C30 C35 C40 110.1(16) . . ?
C30 C35 H35A 109.6 . . ?
C30 C35 H35B 109.6 . . ?
H35A C35 H35B 108.1 . . ?
C30 C34 H34A 109.9 . . ?
C30 C34 H34B 109.9 . . ?
C30 C34 C38 108.9(18) . . ?
H34A C34 H34B 108.3 . . ?
C38 C34 H34A 109.9 . . ?
C38 C34 H34B 109.9 . . ?
C39 C38 H38 109.4 . . ?
C39 C38 C37 108.2(9) . . ?
C34 C38 C39 106.1(19) . . ?
C34 C38 H38 109.4 . . ?
C34 C38 C37 114(2) . . ?
C37 C38 H38 109.4 . . ?
C36 C37 C38 105.5(17) . . ?
C36 C37 H37A 110.6 . . ?
C36 C37 H37B 110.6 . . ?
C38 C37 H37A 110.6 . . ?
C38 C37 H37B 110.6 . . ?
H37A C37 H37B 108.8 . . ?
C40 C80 H80A 110.4 . . ?
C40 C80 H80B 110.4 . . ?
C36 C80 C40 106.9(9) . . ?
C36 C80 H80A 110.4 . . ?
C36 C80 H80B 110.4 . . ?
H80A C80 H80B 108.6 . . ?
H44A C44 H44B 108.4 . . ?
C42 C44 H44A 110.0 . . ?
C42 C44 H44B 110.0 . . ?
C96 C44 H44A 110.0 . . ?
C96 C44 H44B 110.0 . . ?
C96 C44 C42 108.6(9) . . ?
H45A C45 H45B 108.3 . . ?
C42 C45 H45A 110.0 . . ?
C42 C45 H45B 110.0 . . ?
C114 C45 H45A 110.0 . . ?
C114 C45 H45B 110.0 . . ?
C114 C45 C42 108.6(9) . . ?
C44 C42 H42 109.1 . . ?
C45 C42 C44 107.9(8) . . ?
C45 C42 H42 109.1 . . ?
C92 C42 C44 110.0(16) . . ?
C92 C42 C45 111.6(17) . . ?
C92 C42 H42 109.1 . . ?
C02R C41 H41A 109.9 . . ?
C02R C41 H41B 109.9 . . ?
H41A C41 H41B 108.3 . . ?
C96 C41 C02R 108.9(13) . . ?
C96 C41 H41A 109.9 . . ?
C96 C41 H41B 109.9 . . ?
C02R C92 C42 110.5(14) . . ?
C02R C92 H92A 109.5 . . ?
C02R C92 H92B 109.5 . . ?
C42 C92 H92A 109.5 . . ?
C42 C92 H92B 109.5 . . ?
H92A C92 H92B 108.1 . . ?
C44 C96 C41 109.5(17) . . ?
C44 C96 H96 108.7 . . ?
C44 C96 C101 109.3(9) . . ?
C41 C96 H96 108.7 . . ?
C101 C96 C41 111.8(17) . . ?
C101 C96 H96 108.7 . . ?
C96 C101 H10C 109.8 . . ?
C96 C101 H10D 109.8 . . ?
H10C C101 H10D 108.3 . . ?
C114 C101 C96 109.2(9) . . ?
C114 C101 H10C 109.8 . . ?
C114 C101 H10D 109.8 . . ?
C02R C111 H11E 109.0 . . ?
C02R C111 H11F 109.0 . . ?
H11E C111 H11F 107.8 . . ?
C114 C111 C02R 113.1(14) . . ?
C114 C111 H11E 109.0 . . ?
C114 C111 H11F 109.0 . . ?
C45 C114 H114 110.1 . . ?
C101 C114 C45 109.4(9) . . ?
C101 C114 C111 105.9(16) . . ?
C101 C114 H114 110.1 . . ?
C111 C114 C45 111.4(17) . . ?
C111 C114 H114 110.1 . . ?
H44C C44A H44D 108.1 . . ?
C42A C44A H44C 109.5 . . ?
C42A C44A H44D 109.5 . . ?
C96A C44A H44C 109.5 . . ?
C96A C44A H44D 109.5 . . ?
C96A C44A C42A 111(2) . . ?
H45C C45A H45D 108.2 . . ?
C42A C45A H45C 109.7 . . ?
C42A C45A H45D 109.7 . . ?
C1B C45A H45C 109.7 . . ?
C1B C45A H45D 109.7 . . ?
C1B C45A C42A 110(2) . . ?
C44A C42A H42A 109.3 . . ?
C45A C42A C44A 108(2) . . ?
C45A C42A H42A 109.3 . . ?
C92A C42A C44A 110(2) . . ?
C92A C42A C45A 111(3) . . ?
C92A C42A H42A 109.3 . . ?
C02R C41A H41C 110.5 . . ?
C02R C41A H41D 110.5 . . ?
C02R C41A C96A 106(2) . . ?
H41C C41A H41D 108.7 . . ?
C96A C41A H41C 110.5 . . ?
C96A C41A H41D 110.5 . . ?
C44A C96A C41A 108(2) . . ?
C44A C96A H96A 108.9 . . ?
C41A C96A H96A 108.9 . . ?
C46 C96A C44A 111(2) . . ?
C46 C96A C41A 111(3) . . ?
C46 C96A H96A 108.9 . . ?
C96A C46 H46A 109.6 . . ?
C96A C46 H46B 109.6 . . ?
C96A C46 C1B 110(2) . . ?
H46A C46 H46B 108.1 . . ?
C1B C46 H46A 109.6 . . ?
C1B C46 H46B 109.6 . . ?
C02R C1A H1AA 108.6 . . ?
C02R C1A H1AB 108.6 . . ?
H1AA C1A H1AB 107.6 . . ?
C1B C1A C02R 115(2) . . ?
C1B C1A H1AA 108.6 . . ?
C1B C1A H1AB 108.6 . . ?
C45A C1B C46 110(2) . . ?
C45A C1B C1A 108(3) . . ?
C45A C1B H1B 111.3 . . ?
C46 C1B H1B 111.3 . . ?
C1A C1B C46 104(2) . . ?
C1A C1B H1B 111.3 . . ?
C02R C92A C42A 108(2) . . ?
C02R C92A H92C 110.1 . . ?
C02R C92A H92D 110.1 . . ?
C42A C92A H92C 110.1 . . ?
C42A C92A H92D 110.1 . . ?
H92C C92A H92D 108.4 . . ?
C53 C47 S01A 110.9(17) . . ?
C53 C47 C59 99(2) . . ?
C59 C47 S01A 113.4(16) . . ?
C78 C47 S01A 119.4(17) . . ?
C78 C47 C53 110(2) . . ?
C78 C47 C59 102(2) . . ?
C47 C53 H53A 107.7 . . ?
C47 C53 H53B 107.7 . . ?
C47 C53 C50 119(2) . . ?
H53A C53 H53B 107.1 . . ?
C50 C53 H53A 107.7 . . ?
C50 C53 H53B 107.7 . . ?
C47 C59 H59A 108.1 . . ?
C47 C59 H59B 108.1 . . ?
C47 C59 C49 117(2) . . ?
H59A C59 H59B 107.3 . . ?
C49 C59 H59A 108.1 . . ?
C49 C59 H59B 108.1 . . ?
C47 C78 H78A 107.2 . . ?
C47 C78 H78B 107.2 . . ?
C47 C78 C52 121(2) . . ?
H78A C78 H78B 106.8 . . ?
C52 C78 H78A 107.2 . . ?
C52 C78 H78B 107.2 . . ?
C59 C49 H49 111.1 . . ?
C54 C49 C59 105(2) . . ?
C54 C49 H49 111.1 . . ?
C54 C49 C48 105(2) . . ?
C48 C49 C59 113(2) . . ?
C48 C49 H49 111.1 . . ?
C49 C54 H54A 108.2 . . ?
C49 C54 H54B 108.2 . . ?
C49 C54 C52 116(2) . . ?
H54A C54 H54B 107.4 . . ?
C52 C54 H54A 108.2 . . ?
C52 C54 H54B 108.2 . . ?
C78 C52 H52 115.7 . . ?
C54 C52 C78 101(2) . . ?
C54 C52 H52 115.7 . . ?
C54 C52 C192 105(2) . . ?
C192 C52 C78 102(2) . . ?
C192 C52 H52 115.7 . . ?
C49 C48 H48A 109.3 . . ?
C49 C48 H48B 109.3 . . ?
H48A C48 H48B 107.9 . . ?
C50 C48 C49 112(2) . . ?
C50 C48 H48A 109.3 . . ?
C50 C48 H48B 109.3 . . ?
C53 C50 H50 113.5 . . ?
C48 C50 C53 111(2) . . ?
C48 C50 H50 113.5 . . ?
C48 C50 C192 101(2) . . ?
C192 C50 C53 104(2) . . ?
C192 C50 H50 113.5 . . ?
C52 C192 H19E 106.6 . . ?
C52 C192 H19F 106.6 . . ?
C50 C192 C52 123(2) . . ?
C50 C192 H19E 106.6 . . ?
C50 C192 H19F 106.6 . . ?
H19E C192 H19F 106.6 . . ?
C90 C75 P019 117.4(10) . . ?
C90 C75 C91 120.0 . . ?
C91 C75 P019 122.3(10) . . ?
C75 C90 H90 120.0 . . ?
C79 C90 C75 120.0 . . ?
C79 C90 H90 120.0 . . ?
C90 C79 H79 120.0 . . ?
C90 C79 C84 120.0 . . ?
C84 C79 H79 120.0 . . ?
C79 C84 H84 120.0 . . ?
C100 C84 C79 120.0 . . ?
C100 C84 H84 120.0 . . ?
C84 C100 H100 120.0 . . ?
C84 C100 C91 120.0 . . ?
C91 C100 H100 120.0 . . ?
C75 C91 H91 120.0 . . ?
C100 C91 C75 120.0 . . ?
C100 C91 H91 120.0 . . ?
C55 C2 P019 120.7(8) . . ?
C55 C2 C115 120.0 . . ?
C115 C2 P019 118.9(8) . . ?
C2 C55 H55 120.0 . . ?
C189 C55 C2 120.0 . . ?
C189 C55 H55 120.0 . . ?
C55 C189 H189 120.0 . . ?
C55 C189 C56 120.0 . . ?
C56 C189 H189 120.0 . . ?
C189 C56 H56 120.0 . . ?
C9 C56 C189 120.0 . . ?
C9 C56 H56 120.0 . . ?
C56 C9 H9 120.0 . . ?
C56 C9 C115 120.0 . . ?
C115 C9 H9 120.0 . . ?
C2 C115 H115 120.0 . . ?
C9 C115 C2 120.0 . . ?
C9 C115 H115 120.0 . . ?
H61A C61 H61B 108.4 . . ?
C67 C61 H61A 110.0 . . ?
C67 C61 H61B 110.0 . . ?
C67 C61 C58 108.5(17) . . ?
C58 C61 H61A 110.0 . . ?
C58 C61 H61B 110.0 . . ?
C61 C67 H67 109.9 . . ?
C68 C67 C61 109(2) . . ?
C68 C67 H67 109.9 . . ?
C66 C67 C61 111(2) . . ?
C66 C67 H67 109.9 . . ?
C66 C67 C68 106.6(19) . . ?
C67 C68 H68A 109.7 . . ?
C67 C68 H68B 109.7 . . ?
H68A C68 H68B 108.2 . . ?
C146 C68 C67 110(2) . . ?
C146 C68 H68A 109.7 . . ?
C146 C68 H68B 109.7 . . ?
C61 C58 S00W 108.0(12) . . ?
C60 C58 S00W 112.6(13) . . ?
C60 C58 C61 108.3(18) . . ?
C57 C58 S00W 113.2(13) . . ?
C57 C58 C61 111.3(18) . . ?
C57 C58 C60 103.3(17) . . ?
H63A C63 H63B 108.3 . . ?
C65 C63 H63A 109.9 . . ?
C65 C63 H63B 109.9 . . ?
C65 C63 C146 109(2) . . ?
C146 C63 H63A 109.9 . . ?
C146 C63 H63B 109.9 . . ?
C67 C66 H66A 108.7 . . ?
C67 C66 H66B 108.7 . . ?
C67 C66 C65 114(2) . . ?
H66A C66 H66B 107.6 . . ?
C65 C66 H66A 108.7 . . ?
C65 C66 H66B 108.7 . . ?
C58 C60 H60A 109.3 . . ?
C58 C60 H60B 109.3 . . ?
C58 C60 C146 111.8(17) . . ?
H60A C60 H60B 107.9 . . ?
C146 C60 H60A 109.3 . . ?
C146 C60 H60B 109.3 . . ?
C58 C57 H57A 108.2 . . ?
C58 C57 H57B 108.2 . . ?
C58 C57 C65 116.2(17) . . ?
H57A C57 H57B 107.4 . . ?
C65 C57 H57A 108.2 . . ?
C65 C57 H57B 108.2 . . ?
C63 C65 C66 108(2) . . ?
C63 C65 C57 105.5(19) . . ?
C63 C65 H65 112.0 . . ?
C66 C65 C57 107.1(19) . . ?
C66 C65 H65 112.0 . . ?
C57 C65 H65 112.0 . . ?
C68 C146 C60 104.5(19) . . ?
C68 C146 H146 109.1 . . ?
C63 C146 C68 113(2) . . ?
C63 C146 C60 112(2) . . ?
C63 C146 H146 109.1 . . ?
C60 C146 H146 109.1 . . ?
H83A C83 H83B 108.0 . . ?
C82 C83 H83A 109.4 . . ?
C82 C83 H83B 109.4 . . ?
C82 C83 C74 111.3(13) . . ?
C74 C83 H83A 109.4 . . ?
C74 C83 H83B 109.4 . . ?
C037 C82 H82 110.8 . . ?
C83 C82 C037 104.1(17) . . ?
C83 C82 H82 110.8 . . ?
C83 C82 C81 110.3(15) . . ?
C81 C82 C037 109.9(19) . . ?
C81 C82 H82 110.8 . . ?
C71 C77 H77 112.1 . . ?
C81 C77 H77 112.1 . . ?
C81 C77 C71 97.6(17) . . ?
C76 C77 H77 112.1 . . ?
C76 C77 C71 111.4(14) . . ?
C76 C77 C81 110.6(9) . . ?
C026 C71 H71A 109.2 . . ?
C026 C71 H71B 109.2 . . ?
C77 C71 C026 111.9(13) . . ?
C77 C71 H71A 109.2 . . ?
C77 C71 H71B 109.2 . . ?
H71A C71 H71B 107.9 . . ?
C83 C74 H74 109.4 . . ?
C83 C74 C73 115.1(15) . . ?
C76 C74 C83 110.3(9) . . ?
C76 C74 H74 109.4 . . ?
C76 C74 C73 102.9(13) . . ?
C73 C74 H74 109.4 . . ?
C82 C81 H81A 108.8 . . ?
C82 C81 H81B 108.8 . . ?
C77 C81 C82 113.8(16) . . ?
C77 C81 H81A 108.8 . . ?
C77 C81 H81B 108.8 . . ?
H81A C81 H81B 107.7 . . ?
C77 C76 H76A 109.1 . . ?
C77 C76 H76B 109.1 . . ?
C74 C76 C77 112.4(8) . . ?
C74 C76 H76A 109.1 . . ?
C74 C76 H76B 109.1 . . ?
H76A C76 H76B 107.9 . . ?
C026 C73 H73A 110.1 . . ?
C026 C73 H73B 110.1 . . ?
C74 C73 C026 108.1(13) . . ?
C74 C73 H73A 110.1 . . ?
C74 C73 H73B 110.1 . . ?
H73A C73 H73B 108.4 . . ?
C02I C89 H89 108.5 . . ?
C03N C89 C02I 111.6(18) . . ?
C03N C89 H89 108.5 . . ?
C03N C89 C93 113(2) . . ?
C93 C89 C02I 107.0(17) . . ?
C93 C89 H89 108.5 . . ?
C03K C93 C89 110(2) . . ?
C03K C93 H93A 109.6 . . ?
C03K C93 H93B 109.6 . . ?
C89 C93 H93A 109.6 . . ?
C89 C93 H93B 109.6 . . ?
H93A C93 H93B 108.2 . . ?
C97 C94 S010 105.5(12) . . ?
C99 C94 S010 118.5(13) . . ?
C99 C94 C97 107.6(7) . . ?
C99 C94 C109 108.8(8) . . ?
C109 C94 S010 108.8(14) . . ?
C109 C94 C97 107.3(8) . . ?
C112 C94 S010 113.8(14) . . ?
C112 C94 C107 105.9(9) . . ?
C107 C94 S010 112.7(14) . . ?
C349 C94 S010 110.2(14) . . ?
C349 C94 C112 107.1(9) . . ?
C349 C94 C107 106.7(9) . . ?
C94 C97 H97A 109.4 . . ?
C94 C97 H97B 109.4 . . ?
H97A C97 H97B 108.0 . . ?
C131 C97 C94 111.3(12) . . ?
C131 C97 H97A 109.4 . . ?
C131 C97 H97B 109.4 . . ?
C94 C99 H99A 109.9 . . ?
C94 C99 H99B 109.9 . . ?
H99A C99 H99B 108.3 . . ?
C105 C99 C94 108.9(13) . . ?
C105 C99 H99A 109.9 . . ?
C105 C99 H99B 109.9 . . ?
C94 C109 H10E 109.1 . . ?
C94 C109 H10F 109.1 . . ?
H10E C109 H10F 107.9 . . ?
C104 C109 C94 112.3(19) . . ?
C104 C109 H10E 109.1 . . ?
C104 C109 H10F 109.1 . . ?
C103 C95 H95 109.4 . . ?
C103 C95 C112 107(3) . . ?
C103 C95 C198 108.1(9) . . ?
C112 C95 H95 109.4 . . ?
C198 C95 H95 109.4 . . ?
C198 C95 C112 113(2) . . ?
C95 C103 H10G 109.7 . . ?
C95 C103 H10H 109.7 . . ?
C95 C103 C102 110(2) . . ?
H10G C103 H10H 108.2 . . ?
C102 C103 H10G 109.7 . . ?
C102 C103 H10H 109.7 . . ?
C109 C104 H104 109.7 . . ?
C109 C104 C132 114(2) . . ?
C109 C104 C167 106(2) . . ?
C132 C104 H104 109.7 . . ?
C167 C104 H104 109.7 . . ?
C167 C104 C132 108.0(9) . . ?
C103 C102 H102 109.9 . . ?
C103 C102 C349 114(3) . . ?
C103 C102 C377 106.2(9) . . ?
C349 C102 H102 109.9 . . ?
C349 C102 C377 107.3(9) . . ?
C377 C102 H102 109.9 . . ?
C99 C105 H105 108.0 . . ?
C99 C105 C167 114(2) . . ?
C99 C105 C358 109.7(15) . . ?
C167 C105 H105 108.0 . . ?
C167 C105 C358 108.5(9) . . ?
C358 C105 H105 108.0 . . ?
C107 C106 H106 110.1 . . ?
C377 C106 H106 110.1 . . ?
C377 C106 C107 104(3) . . ?
C377 C106 C198 109.4(9) . . ?
C198 C106 H106 110.1 . . ?
C198 C106 C107 113(2) . . ?
C94 C112 H11G 108.8 . . ?
C94 C112 H11H 108.8 . . ?
C95 C112 C94 114(2) . . ?
C95 C112 H11G 108.8 . . ?
C95 C112 H11H 108.8 . . ?
H11G C112 H11H 107.7 . . ?
C94 C107 H10I 108.7 . . ?
C94 C107 H10J 108.7 . . ?
C106 C107 C94 114.3(19) . . ?
C106 C107 H10I 108.7 . . ?
C106 C107 H10J 108.7 . . ?
H10I C107 H10J 107.6 . . ?
C97 C131 H131 108.9 . . ?
C97 C131 C132 110(2) . . ?
C97 C131 C358 112.0(14) . . ?
C132 C131 H131 108.9 . . ?
C132 C131 C358 107.7(9) . . ?
C358 C131 H131 108.9 . . ?
C94 C349 H34C 109.6 . . ?
C94 C349 H34D 109.6 . . ?
C102 C349 C94 110(2) . . ?
C102 C349 H34C 109.6 . . ?
C102 C349 H34D 109.6 . . ?
H34C C349 H34D 108.1 . . ?
C102 C377 H37C 109.2 . . ?
C102 C377 H37D 109.2 . . ?
C106 C377 C102 112.3(17) . . ?
C106 C377 H37C 109.2 . . ?
C106 C377 H37D 109.2 . . ?
H37C C377 H37D 107.9 . . ?
C95 C198 H19G 110.3 . . ?
C95 C198 H19H 110.3 . . ?
C106 C198 C95 107.3(9) . . ?
C106 C198 H19G 110.3 . . ?
C106 C198 H19H 110.3 . . ?
H19G C198 H19H 108.5 . . ?
C104 C132 H13C 110.1 . . ?
C104 C132 H13D 110.1 . . ?
C131 C132 C104 107.8(9) . . ?
C131 C132 H13C 110.1 . . ?
C131 C132 H13D 110.1 . . ?
H13C C132 H13D 108.5 . . ?
C104 C167 H16C 110.1 . . ?
C104 C167 H16D 110.1 . . ?
C105 C167 C104 108.2(9) . . ?
C105 C167 H16C 110.1 . . ?
C105 C167 H16D 110.1 . . ?
H16C C167 H16D 108.4 . . ?
C105 C358 C131 107.0(9) . . ?
C105 C358 H35C 110.3 . . ?
C105 C358 H35D 110.3 . . ?
C131 C358 H35C 110.3 . . ?
C131 C358 H35D 110.3 . . ?
H35C C358 H35D 108.6 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Au02 S0V C02V C01D 24.2(16) . . . . ?
Au02 S0V C02V C01X -88.9(15) . . . . ?
Au02 S0V C02V C02P 149.7(15) . . . . ?
Au04 S0Y C01P C01U 24.1(17) . . . . ?
Au04 S0Y C01P C02Y 143.8(13) . . . . ?
Au04 S0Y C01P C03D -95.3(13) . . . . ?
Au07 S00W C58 C61 174.3(13) . . . . ?
Au07 S00W C58 C60 54.7(17) . . . . ?
Au07 S00W C58 C57 -62.0(17) . . . . ?
Au08 S0X C02O C01Z 51.1(14) . . . . ?
Au08 S0X C02O C02C -73.6(12) . . . . ?
Au08 S0X C02O C02I 172.7(10) . . . . ?
Au09 S0U C02R C41 -26.7(13) . . . . ?
Au09 S0U C02R C92 95.8(12) . . . . ?
Au09 S0U C02R C111 -145.3(10) . . . . ?
Au09 S0U C02R C41A 31(2) . . . . ?
Au09 S0U C02R C1A -85(2) . . . . ?
Au09 S0U C02R C92A 166(2) . . . . ?
Au0B S012 C023 C01O 49.1(14) . . . . ?
Au0B S012 C023 C01S -68.8(15) . . . . ?
Au0B S012 C023 C02Z 169.4(12) . . . . ?
Au0C S014 C02U C01M -58.7(15) . . . . ?
Au0C S014 C02U C64 177.6(13) . . . . ?
Au0C S014 C02U C26 59.6(15) . . . . ?
Au0E S15 C026 C037 -164.4(9) . . . . ?
Au0E S15 C026 C71 -41.5(11) . . . . ?
Au0E S15 C026 C73 77.6(9) . . . . ?
Au0F S0Z C12 C19 49.0(10) . . . . ?
Au0F S0Z C12 C14 -70.5(9) . . . . ?
Au0F S0Z C12 C15 171.6(8) . . . . ?
Au0F S017 C01T C020 51.2(16) . . . . ?
Au0F S017 C01T C02D -71.5(14) . . . . ?
Au0F S017 C01T C02M 172.7(14) . . . . ?
Au0G P019 C030 C86 -4.7(9) . . . . ?
Au0G P019 C030 N85 173.7(6) . . . . ?
Au0G P019 C75 C90 -31.0(10) . . . . ?
Au0G P019 C75 C91 155.5(6) . . . . ?
Au0G P019 C2 C55 -166.4(6) . . . . ?
Au0G P019 C2 C115 20.8(9) . . . . ?
Au0H S018 C30 C31 86.0(13) . . . . ?
Au0H S018 C30 C35 -156.7(10) . . . . ?
Au0H S018 C30 C34 -40.4(14) . . . . ?
Au0I S00W C58 C61 65.6(16) . . . . ?
Au0I S00W C58 C60 -54.0(17) . . . . ?
Au0I S00W C58 C57 -170.7(14) . . . . ?
Au0I S017 C01T C020 -47.0(17) . . . . ?
Au0I S017 C01T C02D -169.7(12) . . . . ?
Au0I S017 C01T C02M 74.5(15) . . . . ?
Au0J S13 C3 C8 143.7(8) . . . . ?
Au0J S13 C3 C4 23.9(11) . . . . ?
Au0J S13 C3 C5 -97.3(9) . . . . ?
Au0L S010 C94 C97 -50.7(14) . . . . ?
Au0L S010 C94 C99 69.7(15) . . . . ?
Au0L S010 C94 C109 -165.5(14) . . . . ?
Au0L S010 C94 C112 6.0(16) . . . . ?
Au0L S010 C94 C107 126.6(14) . . . . ?
Au0L S010 C94 C349 -114.3(14) . . . . ?
Au0M S0Y C01P C01U -72.0(16) . . . . ?
Au0M S0Y C01P C02Y 47.6(16) . . . . ?
Au0M S0Y C01P C03D 168.5(12) . . . . ?
Au0M S13 C3 C8 50.0(10) . . . . ?
Au0M S13 C3 C4 -69.9(10) . . . . ?
Au0M S13 C3 C5 168.9(8) . . . . ?
Au0N S0V C02V C01D -66.6(15) . . . . ?
Au0N S0V C02V C01X -179.7(13) . . . . ?
Au0N S0V C02V C02P 59.0(18) . . . . ?
Au0N S018 C30 C31 179.0(11) . . . . ?
Au0N S018 C30 C35 -63.7(12) . . . . ?
Au0N S018 C30 C34 52.6(14) . . . . ?
Au0O S0Z C12 C19 -37.6(10) . . . . ?
Au0O S0Z C12 C14 -157.2(8) . . . . ?
Au0O S0Z C12 C15 85.0(9) . . . . ?
Au0O S010 C94 C97 -151.6(13) . . . . ?
Au0O S010 C94 C99 -31.3(15) . . . . ?
Au0O S010 C94 C109 93.6(14) . . . . ?
Au0O S010 C94 C112 -95.0(15) . . . . ?
Au0O S010 C94 C107 25.7(15) . . . . ?
Au0O S010 C94 C349 144.7(13) . . . . ?
Au0P S0X C02O C01Z -47.7(15) . . . . ?
Au0P S0X C02O C02C -172.4(10) . . . . ?
Au0P S0X C02O C02I 73.9(12) . . . . ?
Au0P S15 C026 C037 -71.7(10) . . . . ?
Au0P S15 C026 C71 51.2(11) . . . . ?
Au0P S15 C026 C73 170.2(8) . . . . ?
Au0Q S01A C47 C53 -79.3(19) . . . . ?
Au0Q S01A C47 C59 31(2) . . . . ?
Au0Q S01A C47 C78 151.5(18) . . . . ?
Au0R S0U C02R C41 -128.3(11) . . . . ?
Au0R S0U C02R C92 -5.9(12) . . . . ?
Au0R S0U C02R C111 113.1(11) . . . . ?
Au0R S0U C02R C41A -70(2) . . . . ?
Au0R S0U C02R C1A 173(2) . . . . ?
Au0R S0U C02R C92A 64(2) . . . . ?
Au0R S01A C47 C53 -165.0(16) . . . . ?
Au0R S01A C47 C59 -55(2) . . . . ?
Au0R S01A C47 C78 66(2) . . . . ?
Cd0S S16 C03Z C108 -43.4(10) . . . . ?
Cd0S S16 C03Z C124 -165.1(7) . . . . ?
Cd0S S16 C03Z C136 77.4(9) . . . . ?
Cd0T S012 C023 C01O 148.9(11) . . . . ?
Cd0T S012 C023 C01S 31.0(16) . . . . ?
Cd0T S012 C023 C02Z -90.8(14) . . . . ?
Cd0T S014 C02U C01M 45.1(15) . . . . ?
Cd0T S014 C02U C64 -78.6(15) . . . . ?
Cd0T S014 C02U C26 163.4(13) . . . . ?
Cd0T S16 C03Z C108 57.4(10) . . . . ?
Cd0T S16 C03Z C124 -64.4(9) . . . . ?
Cd0T S16 C03Z C136 178.1(7) . . . . ?
S0U C02R C41 C96 -174.4(16) . . . . ?
S0U C02R C92 C42 175.4(17) . . . . ?
S0U C02R C111 C114 -177.0(18) . . . . ?
S0U C02R C41A C96A -171(2) . . . . ?
S0U C02R C1A C1B -174(3) . . . . ?
S0U C02R C92A C42A 169(2) . . . . ?
S00W C58 C60 C146 -178.4(16) . . . . ?
S00W C58 C57 C65 -175.9(16) . . . . ?
S0Y C01P C01U C036 180.0(14) . . . . ?
S0Y C01P C02Y C135 177.1(14) . . . . ?
S0Y C01P C03D C152 178.8(14) . . . . ?
S0Z C12 C14 C20 -177.7(13) . . . . ?
S0Z C12 C15 C25 176.9(13) . . . . ?
S010 C94 C97 C131 -176(2) . . . . ?
S010 C94 C99 C105 178.7(19) . . . . ?
S010 C94 C109 C104 168(2) . . . . ?
S010 C94 C112 C95 178(2) . . . . ?
S010 C94 C107 C106 -179(2) . . . . ?
S010 C94 C349 C102 179(2) . . . . ?
S011 C01E C01Q C03G -177.0(14) . . . . ?
S011 C01E C02Q C02L 178.4(14) . . . . ?
S012 C023 C02Z C03H -177.9(14) . . . . ?
S13 C3 C8 C43 179.3(14) . . . . ?
S13 C3 C4 C18 -175.6(15) . . . . ?
S13 C3 C5 C123 -177.5(14) . . . . ?
S014 C02U C64 C110 178.0(14) . . . . ?
S014 C02U C26 C1 178.5(15) . . . . ?
S15 C026 C037 C82 178.6(16) . . . . ?
S15 C026 C71 C77 169.6(15) . . . . ?
S15 C026 C73 C74 171.4(14) . . . . ?
S16 C03Z C108 C27 -176.1(13) . . . . ?
S16 C03Z C124 C134 -177.6(12) . . . . ?
S16 C03Z C136 C21 175.4(12) . . . . ?
S017 C01T C020 C10 -177.3(15) . . . . ?
S017 C01T C02D C17 -179.7(15) . . . . ?
S017 C01T C02M C29 176.5(17) . . . . ?
S018 C30 C35 C40 -177.4(12) . . . . ?
S018 C30 C34 C38 174.9(14) . . . . ?
P019 C030 C86 C87 178.4(11) . . . . ?
P019 C030 N85 C118 -178.4(11) . . . . ?
P019 C75 C90 C79 -173.6(12) . . . . ?
P019 C75 C91 C100 173.3(12) . . . . ?
P019 C2 C55 C189 -172.8(10) . . . . ?
P019 C2 C115 C9 172.9(10) . . . . ?
S01A C47 C53 C50 -180(2) . . . . ?
S01A C47 C59 C49 -175.1(19) . . . . ?
S01A C47 C78 C52 176.0(19) . . . . ?
C01C C01E C01Q C03G 64(2) . . . . ?
C01C C01E C02Q C02L -63(2) . . . . ?
C01C C01K C01R C03G -62(3) . . . . ?
C01C C01K C022 C02L 61(2) . . . . ?
C01D C032 C03F C038 -62(2) . . . . ?
C01D C032 C03X C03C 65(2) . . . . ?
C01E C01C C01K C01R 60(2) . . . . ?
C01E C01C C01K C022 -59(2) . . . . ?
C01E C01Q C03G C01R -60(2) . . . . ?
C01E C01Q C03G C01Y 61(2) . . . . ?
C01I C01O C023 S012 177.4(12) . . . . ?
C01I C01O C023 C01S -62(2) . . . . ?
C01I C01O C023 C02Z 59(2) . . . . ?
C01I C02N C03H C02Z -59(2) . . . . ?
C01I C02N C03H C03A 59(2) . . . . ?
C01K C01C C01E S011 179.3(13) . . . . ?
C01K C01C C01E C01Q -64(2) . . . . ?
C01K C01C C01E C02Q 62(2) . . . . ?
C01K C01R C03G C01Q 62(3) . . . . ?
C01K C01R C03G C01Y -57(3) . . . . ?
C01K C022 C02L C01Y 59(2) . . . . ?
C01K C022 C02L C02Q -61(2) . . . . ?
C01M C02U C64 C110 54(2) . . . . ?
C01M C02U C26 C1 -60(2) . . . . ?
C01M C7 C24 C1 61(2) . . . . ?
C01M C7 C33 C110 -52(3) . . . . ?
C01O C01I C02H C01V -61(2) . . . . ?
C01O C01I C02N C03H 59(2) . . . . ?
C01O C023 C02Z C03H -61(2) . . . . ?
C01P C01U C036 C70 -58(2) . . . . ?
C01P C01U C036 C72 63(2) . . . . ?
C01P C02Y C135 C03V -58(2) . . . . ?
C01P C02Y C135 C70 61(2) . . . . ?
C01P C03D C152 C03V 62(2) . . . . ?
C01P C03D C152 C72 -59(2) . . . . ?
C01Q C01E C02Q C02L 65(2) . . . . ?
C01R C01K C022 C02L -57(2) . . . . ?
C01S C01V C02H C01I 58(2) . . . . ?
C01S C01V C03A C03H -56(2) . . . . ?
C01S C023 C02Z C03H 59(2) . . . . ?
C01T C020 C10 C11 -65(2) . . . . ?
C01T C020 C10 C16 58(3) . . . . ?
C01T C02D C17 C16 -56(3) . . . . ?
C01T C02D C17 C69 67(2) . . . . ?
C01T C02M C29 C11 58(3) . . . . ?
C01T C02M C29 C69 -57(3) . . . . ?
C01U C01P C02Y C135 -58(2) . . . . ?
C01U C01P C03D C152 55(2) . . . . ?
C01U C036 C70 C135 55(2) . . . . ?
C01U C036 C72 C152 -59(2) . . . . ?
C01V C01S C023 S012 178.2(13) . . . . ?
C01V C01S C023 C01O 61(2) . . . . ?
C01V C01S C023 C02Z -61(2) . . . . ?
C01V C03A C03H C02N -57(2) . . . . ?
C01V C03A C03H C02Z 58(2) . . . . ?
C01W C034 C03N C89 -55(3) . . . . ?
C01W C03K C93 C89 53(3) . . . . ?
C01X C038 C03F C032 64(2) . . . . ?
C01Y C02L C02Q C01E -61(2) . . . . ?
C01Z C034 C03N C89 60(2) . . . . ?
C020 C01T C02D C17 54(2) . . . . ?
C020 C01T C02M C29 -57(3) . . . . ?
C022 C01K C01R C03G 55(3) . . . . ?
C022 C02L C02Q C01E 60(2) . . . . ?
C023 C01S C01V C02H -59(2) . . . . ?
C023 C01S C01V C03A 58(2) . . . . ?
C023 C02Z C03H C02N 56(2) . . . . ?
C023 C02Z C03H C03A -57(2) . . . . ?
C026 C037 C82 C83 67.9(18) . . . . ?
C026 C037 C82 C81 -50(2) . . . . ?
C02C C03K C93 C89 -63(2) . . . . ?
C02D C01T C020 C10 -56(2) . . . . ?
C02D C01T C02M C29 60(3) . . . . ?
C02D C17 C69 C29 -65(2) . . . . ?
C02F C038 C03F C032 -62(2) . . . . ?
C02F C03C C03X C032 55(2) . . . . ?
C02H C01I C01O C023 61(2) . . . . ?
C02H C01I C02N C03H -58(2) . . . . ?
C02H C01V C03A C03H 61(2) . . . . ?
C02I C89 C93 C03K 65(2) . . . . ?
C02L C01Y C03G C01Q -61(2) . . . . ?
C02L C01Y C03G C01R 58(3) . . . . ?
C02M C01T C020 C10 59(2) . . . . ?
C02M C01T C02D C17 -61(2) . . . . ?
C02M C29 C69 C17 60(3) . . . . ?
C02N C01I C01O C023 -56(2) . . . . ?
C02N C01I C02H C01V 57(2) . . . . ?
C02O C01Z C034 C01W 62(2) . . . . ?
C02O C01Z C034 C03N -59(2) . . . . ?
C02O C02C C03K C01W -58(2) . . . . ?
C02O C02C C03K C93 63(2) . . . . ?
C02O C02I C89 C03N 60(2) . . . . ?
C02O C02I C89 C93 -64(2) . . . . ?
C02P C03C C03X C032 -68(2) . . . . ?
C02Q C01E C01Q C03G -63(2) . . . . ?
C02R C41 C96 C44 -62.8(19) . . . . ?
C02R C41 C96 C101 59(2) . . . . ?
C02R C111 C114 C45 56(2) . . . . ?
C02R C111 C114 C101 -63(2) . . . . ?
C02R C41A C96A C44A -59(3) . . . . ?
C02R C41A C96A C46 63(3) . . . . ?
C02R C1A C1B C45A 57(4) . . . . ?
C02R C1A C1B C46 -60(4) . . . . ?
C02U C01M C7 C24 -63(2) . . . . ?
C02U C01M C7 C33 53(3) . . . . ?
C02U C64 C110 C6 61(2) . . . . ?
C02U C64 C110 C33 -55(3) . . . . ?
C02V C01D C032 C03F 64(2) . . . . ?
C02V C01D C032 C03X -60(2) . . . . ?
C02V C01X C038 C02F 58(2) . . . . ?
C02V C01X C038 C03F -66(2) . . . . ?
C02V C02P C03C C02F -62(2) . . . . ?
C02V C02P C03C C03X 63(2) . . . . ?
C02Y C01P C01U C036 57(2) . . . . ?
C02Y C01P C03D C152 -59(2) . . . . ?
C030 P019 C75 C90 -156.9(8) . . . . ?
C030 P019 C75 C91 29.7(11) . . . . ?
C030 P019 C2 C55 -49.0(10) . . . . ?
C030 P019 C2 C115 138.1(8) . . . . ?
C030 C86 C87 C88 0.0 . . . . ?
C86 C030 N85 C118 0.0 . . . . ?
C86 C87 C88 C118 0.0 . . . . ?
C87 C88 C118 N85 0.0 . . . . ?
C88 C118 N85 C030 0.0 . . . . ?
N85 C030 C86 C87 0.0 . . . . ?
C032 C01D C02V S0V -178.9(13) . . . . ?
C032 C01D C02V C01X -63(2) . . . . ?
C032 C01D C02V C02P 55(2) . . . . ?
C034 C01W C03K C02C 66(2) . . . . ?
C034 C01W C03K C93 -52(3) . . . . ?
C034 C01Z C02O S0X 178.2(14) . . . . ?
C034 C01Z C02O C02C -58(2) . . . . ?
C034 C01Z C02O C02I 60(2) . . . . ?
C034 C03N C89 C02I -63(3) . . . . ?
C034 C03N C89 C93 57(3) . . . . ?
C036 C70 C135 C02Y -59(2) . . . . ?
C036 C70 C135 C03V 61(2) . . . . ?
C036 C72 C152 C03D 59(2) . . . . ?
C036 C72 C152 C03V -59(2) . . . . ?
C037 C026 C71 C77 -67.3(17) . . . . ?
C037 C026 C73 C74 53.4(16) . . . . ?
C037 C82 C81 C77 62(2) . . . . ?
C038 C01X C02V S0V -178.9(14) . . . . ?
C038 C01X C02V C01D 64(2) . . . . ?
C038 C01X C02V C02P -55(2) . . . . ?
C038 C02F C03C C02P 63(2) . . . . ?
C038 C02F C03C C03X -61(2) . . . . ?
C03A C01V C02H C01I -58(2) . . . . ?
C03C C02F C038 C01X -62(2) . . . . ?
C03C C02F C038 C03F 62(2) . . . . ?
C03C C02P C02V S0V 179.8(15) . . . . ?
C03C C02P C02V C01D -56(2) . . . . ?
C03C C02P C02V C01X 59(2) . . . . ?
C03D C01P C01U C036 -60(2) . . . . ?
C03D C01P C02Y C135 57(2) . . . . ?
C03F C032 C03X C03C -56(2) . . . . ?
C03G C01Y C02L C022 -59(2) . . . . ?
C03G C01Y C02L C02Q 61(2) . . . . ?
C03K C01W C034 C01Z -66(2) . . . . ?
C03K C01W C034 C03N 52(3) . . . . ?
C03K C02C C02O S0X -175.2(15) . . . . ?
C03K C02C C02O C01Z 59(2) . . . . ?
C03K C02C C02O C02I -62(2) . . . . ?
C03N C89 C93 C03K -58(3) . . . . ?
C03X C032 C03F C038 60(2) . . . . ?
C03Z C124 C134 C175 -59.8(11) . . . . ?
C03Z C124 C134 C191 62.8(11) . . . . ?
C7 C01M C02U S014 -175.0(13) . . . . ?
C7 C01M C02U C64 -53(2) . . . . ?
C7 C01M C02U C26 66(2) . . . . ?
C64 C02U C26 C1 60(2) . . . . ?
C64 C110 C6 C1 -62(3) . . . . ?
C64 C110 C33 C7 52(2) . . . . ?
C6 C110 C33 C7 -60(2) . . . . ?
C6 C1 C24 C7 53(2) . . . . ?
C6 C1 C26 C02U -55(2) . . . . ?
C24 C7 C33 C110 62(2) . . . . ?
C24 C1 C6 C110 -51(3) . . . . ?
C24 C1 C26 C02U 54(2) . . . . ?
C26 C02U C64 C110 -64(2) . . . . ?
C26 C1 C6 C110 60(3) . . . . ?
C26 C1 C24 C7 -57(2) . . . . ?
C33 C7 C24 C1 -61(3) . . . . ?
C33 C110 C6 C1 57(3) . . . . ?
C98 C21 C136 C03Z 60.3(10) . . . . ?
C98 C21 C191 C134 -47(2) . . . . ?
C98 C27 C108 C03Z -64.8(11) . . . . ?
C98 C27 C175 C134 63.2(18) . . . . ?
C108 C03Z C124 C134 55.7(11) . . . . ?
C108 C03Z C136 C21 -58.0(11) . . . . ?
C108 C27 C98 C21 68.5(18) . . . . ?
C108 C27 C175 C134 -53.3(17) . . . . ?
C124 C03Z C108 C27 -53.6(11) . . . . ?
C124 C03Z C136 C21 56.7(11) . . . . ?
C124 C134 C175 C27 54.5(16) . . . . ?
C124 C134 C191 C21 -68.1(14) . . . . ?
C136 C03Z C108 C27 60.6(11) . . . . ?
C136 C03Z C124 C134 -57.7(11) . . . . ?
C136 C21 C98 C27 -66.8(18) . . . . ?
C136 C21 C191 C134 67.2(14) . . . . ?
C175 C27 C98 C21 -56(2) . . . . ?
C175 C27 C108 C03Z 56.2(13) . . . . ?
C175 C134 C191 C21 56.3(15) . . . . ?
C191 C21 C98 C27 47(2) . . . . ?
C191 C21 C136 C03Z -60.8(11) . . . . ?
C191 C134 C175 C27 -63.9(17) . . . . ?
C70 C036 C72 C152 62(2) . . . . ?
C72 C036 C70 C135 -64(2) . . . . ?
C135 C03V C152 C03D -61(2) . . . . ?
C135 C03V C152 C72 61(2) . . . . ?
C152 C03V C135 C02Y 62(2) . . . . ?
C152 C03V C135 C70 -59(2) . . . . ?
C3 C8 C43 C51 -63.8(16) . . . . ?
C3 C8 C43 C119 58.5(16) . . . . ?
C3 C5 C123 C62 -61.3(15) . . . . ?
C3 C5 C123 C51 57.7(17) . . . . ?
C8 C3 C4 C18 65.2(16) . . . . ?
C8 C3 C5 C123 -60.1(15) . . . . ?
C8 C43 C51 C123 64.6(16) . . . . ?
C8 C43 C119 C18 -60(2) . . . . ?
C18 C62 C123 C5 58.2(18) . . . . ?
C18 C62 C123 C51 -59.8(18) . . . . ?
C4 C3 C8 C43 -58.6(16) . . . . ?
C4 C3 C5 C123 59.7(16) . . . . ?
C4 C18 C62 C123 -56(2) . . . . ?
C4 C18 C119 C43 59(2) . . . . ?
C5 C3 C8 C43 61.7(15) . . . . ?
C5 C3 C4 C18 -55.4(16) . . . . ?
C5 C123 C51 C43 -59.8(17) . . . . ?
C62 C18 C4 C3 54.4(18) . . . . ?
C62 C18 C119 C43 -62(2) . . . . ?
C62 C123 C51 C43 58.9(17) . . . . ?
C51 C43 C119 C18 62(2) . . . . ?
C119 C18 C4 C3 -64.1(18) . . . . ?
C119 C18 C62 C123 61(2) . . . . ?
C119 C43 C51 C123 -60.6(19) . . . . ?
C11 C29 C69 C17 -55(3) . . . . ?
C16 C17 C69 C29 57(3) . . . . ?
C17 C16 C10 C020 -60(3) . . . . ?
C17 C16 C10 C11 60(3) . . . . ?
C10 C11 C29 C02M -59(3) . . . . ?
C10 C11 C29 C69 55(3) . . . . ?
C10 C16 C17 C02D 59(3) . . . . ?
C10 C16 C17 C69 -60(3) . . . . ?
C29 C11 C10 C020 63(2) . . . . ?
C29 C11 C10 C16 -60(3) . . . . ?
C19 C12 C14 C20 58.5(15) . . . . ?
C19 C12 C15 C25 -56.7(15) . . . . ?
C19 C23 C28 C25 58(2) . . . . ?
C12 C19 C23 C22 58.9(19) . . . . ?
C12 C19 C23 C28 -59.8(19) . . . . ?
C12 C14 C20 C22 -58.9(19) . . . . ?
C12 C14 C20 C32 56.0(18) . . . . ?
C12 C15 C25 C28 55(2) . . . . ?
C12 C15 C25 C32 -58.0(18) . . . . ?
C14 C12 C15 C25 58.6(15) . . . . ?
C14 C20 C32 C25 -59(2) . . . . ?
C15 C12 C14 C20 -57.1(15) . . . . ?
C15 C25 C28 C23 -54(2) . . . . ?
C15 C25 C32 C20 59(2) . . . . ?
C22 C23 C28 C25 -63(2) . . . . ?
C22 C20 C32 C25 57(2) . . . . ?
C23 C19 C12 S0Z -176.9(13) . . . . ?
C23 C19 C12 C14 -56.9(15) . . . . ?
C23 C19 C12 C15 58.4(15) . . . . ?
C23 C22 C20 C14 57(2) . . . . ?
C23 C22 C20 C32 -57(2) . . . . ?
C20 C22 C23 C19 -58(2) . . . . ?
C20 C22 C23 C28 61(2) . . . . ?
C28 C25 C32 C20 -56(2) . . . . ?
C32 C25 C28 C23 58(2) . . . . ?
C31 C30 C35 C40 -62(2) . . . . ?
C31 C30 C34 C38 55(2) . . . . ?
C31 C36 C37 C38 -59(2) . . . . ?
C31 C36 C80 C40 68(2) . . . . ?
C40 C39 C38 C34 -62(2) . . . . ?
C40 C39 C38 C37 61(2) . . . . ?
C30 C31 C36 C37 57(2) . . . . ?
C30 C31 C36 C80 -70.4(19) . . . . ?
C30 C34 C38 C39 64(2) . . . . ?
C30 C34 C38 C37 -55(2) . . . . ?
C36 C31 C30 S018 -175.0(13) . . . . ?
C36 C31 C30 C35 66(2) . . . . ?
C36 C31 C30 C34 -53(2) . . . . ?
C39 C40 C35 C30 -60.7(18) . . . . ?
C39 C40 C80 C36 56(2) . . . . ?
C39 C38 C37 C36 -63(2) . . . . ?
C35 C40 C39 C38 60.2(19) . . . . ?
C35 C40 C80 C36 -59(2) . . . . ?
C35 C30 C34 C38 -66(2) . . . . ?
C34 C30 C35 C40 64.4(19) . . . . ?
C34 C38 C37 C36 55(2) . . . . ?
C37 C36 C80 C40 -63(2) . . . . ?
C80 C40 C39 C38 -57(2) . . . . ?
C80 C40 C35 C30 57(2) . . . . ?
C80 C36 C37 C38 67(2) . . . . ?
C44 C42 C92 C02R 59(2) . . . . ?
C44 C96 C101 C114 60.1(16) . . . . ?
C45 C42 C92 C02R -61(2) . . . . ?
C42 C44 C96 C41 61.0(17) . . . . ?
C42 C44 C96 C101 -61.9(16) . . . . ?
C42 C45 C114 C101 61.5(16) . . . . ?
C42 C45 C114 C111 -55.1(18) . . . . ?
C41 C02R C92 C42 -59.6(19) . . . . ?
C41 C02R C111 C114 61.3(19) . . . . ?
C41 C96 C101 C114 -61.4(17) . . . . ?
C92 C02R C41 C96 61.0(19) . . . . ?
C92 C02R C111 C114 -55.7(19) . . . . ?
C96 C44 C42 C45 63.1(15) . . . . ?
C96 C44 C42 C92 -58.8(18) . . . . ?
C96 C101 C114 C45 -59.8(16) . . . . ?
C96 C101 C114 C111 60.3(18) . . . . ?
C111 C02R C41 C96 -56.1(19) . . . . ?
C111 C02R C92 C42 57.1(19) . . . . ?
C114 C45 C42 C44 -62.8(15) . . . . ?
C114 C45 C42 C92 58.1(17) . . . . ?
C44A C42A C92A C02R 53(4) . . . . ?
C44A C96A C46 C1B 55(3) . . . . ?
C45A C42A C92A C02R -66(3) . . . . ?
C42A C44A C96A C41A 64(3) . . . . ?
C42A C44A C96A C46 -58(3) . . . . ?
C42A C45A C1B C46 61(3) . . . . ?
C42A C45A C1B C1A -53(3) . . . . ?
C41A C02R C1A C1B 63(4) . . . . ?
C41A C02R C92A C42A -55(4) . . . . ?
C41A C96A C46 C1B -65(3) . . . . ?
C96A C44A C42A C45A 60(3) . . . . ?
C96A C44A C42A C92A -61(3) . . . . ?
C96A C46 C1B C45A -57(3) . . . . ?
C96A C46 C1B C1A 59(3) . . . . ?
C1A C02R C41A C96A -59(3) . . . . ?
C1A C02R C92A C42A 63(3) . . . . ?
C1B C45A C42A C44A -62(3) . . . . ?
C1B C45A C42A C92A 59(3) . . . . ?
C92A C02R C41A C96A 58(4) . . . . ?
C92A C02R C1A C1B -62(4) . . . . ?
C47 C53 C50 C48 -59(3) . . . . ?
C47 C53 C50 C192 48(3) . . . . ?
C47 C59 C49 C54 -58(3) . . . . ?
C47 C59 C49 C48 55(3) . . . . ?
C47 C78 C52 C54 59(3) . . . . ?
C47 C78 C52 C192 -48(3) . . . . ?
C53 C47 C59 C49 -58(3) . . . . ?
C53 C47 C78 C52 46(3) . . . . ?
C53 C50 C192 C52 -58(3) . . . . ?
C59 C47 C53 C50 61(3) . . . . ?
C59 C47 C78 C52 -58(3) . . . . ?
C59 C49 C54 C52 60(3) . . . . ?
C59 C49 C48 C50 -45(3) . . . . ?
C78 C47 C53 C50 -46(3) . . . . ?
C78 C47 C59 C49 55(3) . . . . ?
C78 C52 C192 C50 57(3) . . . . ?
C49 C54 C52 C78 -59(3) . . . . ?
C49 C54 C52 C192 47(3) . . . . ?
C49 C48 C50 C53 45(3) . . . . ?
C49 C48 C50 C192 -64(3) . . . . ?
C54 C49 C48 C50 69(3) . . . . ?
C54 C52 C192 C50 -48(3) . . . . ?
C48 C49 C54 C52 -59(3) . . . . ?
C48 C50 C192 C52 57(3) . . . . ?
C75 P019 C030 C86 128.2(9) . . . . ?
C75 P019 C030 N85 -53.4(10) . . . . ?
C75 P019 C2 C55 66.2(9) . . . . ?
C75 P019 C2 C115 -106.7(9) . . . . ?
C75 C90 C79 C84 0.0 . . . . ?
C90 C75 C91 C100 0.0 . . . . ?
C90 C79 C84 C100 0.0 . . . . ?
C79 C84 C100 C91 0.0 . . . . ?
C84 C100 C91 C75 0.0 . . . . ?
C91 C75 C90 C79 0.0 . . . . ?
C2 P019 C030 C86 -122.6(9) . . . . ?
C2 P019 C030 N85 55.8(10) . . . . ?
C2 P019 C75 C90 88.2(9) . . . . ?
C2 P019 C75 C91 -85.3(10) . . . . ?
C2 C55 C189 C56 0.0 . . . . ?
C55 C2 C115 C9 0.0 . . . . ?
C55 C189 C56 C9 0.0 . . . . ?
C189 C56 C9 C115 0.0 . . . . ?
C56 C9 C115 C2 0.0 . . . . ?
C115 C2 C55 C189 0.0 . . . . ?
C61 C67 C68 C146 -64(2) . . . . ?
C61 C67 C66 C65 59(3) . . . . ?
C61 C58 C60 C146 62(2) . . . . ?
C61 C58 C57 C65 -54(3) . . . . ?
C67 C61 C58 S00W 179.5(15) . . . . ?
C67 C61 C58 C60 -58(2) . . . . ?
C67 C61 C58 C57 55(2) . . . . ?
C67 C68 C146 C63 -59(2) . . . . ?
C67 C68 C146 C60 63(2) . . . . ?
C67 C66 C65 C63 61(2) . . . . ?
C67 C66 C65 C57 -52(3) . . . . ?
C68 C67 C66 C65 -60(3) . . . . ?
C58 C61 C67 C68 60(2) . . . . ?
C58 C61 C67 C66 -58(3) . . . . ?
C58 C60 C146 C68 -63(2) . . . . ?
C58 C60 C146 C63 59(3) . . . . ?
C58 C57 C65 C63 -64(3) . . . . ?
C58 C57 C65 C66 50(3) . . . . ?
C66 C67 C68 C146 56(2) . . . . ?
C60 C58 C57 C65 62(2) . . . . ?
C57 C58 C60 C146 -56(2) . . . . ?
C65 C63 C146 C68 59(3) . . . . ?
C65 C63 C146 C60 -59(3) . . . . ?
C146 C63 C65 C66 -57(2) . . . . ?
C146 C63 C65 C57 58(2) . . . . ?
C83 C82 C81 C77 -52(2) . . . . ?
C83 C74 C76 C77 57.4(17) . . . . ?
C83 C74 C73 C026 -49.2(18) . . . . ?
C82 C83 C74 C76 -59.8(17) . . . . ?
C82 C83 C74 C73 56.1(15) . . . . ?
C71 C026 C037 C82 52.9(18) . . . . ?
C71 C026 C73 C74 -65.9(15) . . . . ?
C71 C77 C81 C82 -66.8(18) . . . . ?
C71 C77 C76 C74 55.3(15) . . . . ?
C74 C83 C82 C037 -61.4(14) . . . . ?
C74 C83 C82 C81 56(2) . . . . ?
C81 C77 C71 C026 69.0(16) . . . . ?
C81 C77 C76 C74 -52.1(18) . . . . ?
C76 C77 C71 C026 -46.7(18) . . . . ?
C76 C77 C81 C82 50(2) . . . . ?
C76 C74 C73 C026 70.8(15) . . . . ?
C73 C026 C037 C82 -65.9(17) . . . . ?
C73 C026 C71 C77 52.2(16) . . . . ?
C73 C74 C76 C77 -65.8(14) . . . . ?
C89 C02I C02O S0X 177.4(13) . . . . ?
C89 C02I C02O C01Z -59(2) . . . . ?
C89 C02I C02O C02C 62.1(18) . . . . ?
C94 C97 C131 C132 64(2) . . . . ?
C94 C97 C131 C358 -56(3) . . . . ?
C94 C99 C105 C167 -56(2) . . . . ?
C94 C99 C105 C358 66(2) . . . . ?
C94 C109 C104 C132 -54(3) . . . . ?
C94 C109 C104 C167 64(3) . . . . ?
C97 C94 C99 C105 -62(2) . . . . ?
C97 C94 C109 C104 54(2) . . . . ?
C97 C131 C132 C104 -57.7(15) . . . . ?
C97 C131 C358 C105 57(2) . . . . ?
C99 C94 C97 C131 57(2) . . . . ?
C99 C94 C109 C104 -62(2) . . . . ?
C99 C105 C167 C104 59.8(15) . . . . ?
C99 C105 C358 C131 -62(2) . . . . ?
C109 C94 C97 C131 -60(2) . . . . ?
C109 C94 C99 C105 54(2) . . . . ?
C109 C104 C132 C131 54(2) . . . . ?
C109 C104 C167 C105 -60(2) . . . . ?
C95 C103 C102 C349 57(2) . . . . ?
C95 C103 C102 C377 -61(3) . . . . ?
C103 C95 C112 C94 61(3) . . . . ?
C103 C95 C198 C106 -63.8(17) . . . . ?
C103 C102 C349 C94 -56(2) . . . . ?
C103 C102 C377 C106 58(3) . . . . ?
C112 C94 C107 C106 -54(3) . . . . ?
C112 C94 C349 C102 55(2) . . . . ?
C112 C95 C103 C102 -57(3) . . . . ?
C112 C95 C198 C106 55(2) . . . . ?
C107 C94 C112 C95 53(3) . . . . ?
C107 C94 C349 C102 -58(2) . . . . ?
C107 C106 C377 C102 61(2) . . . . ?
C107 C106 C198 C95 -55(3) . . . . ?
C349 C94 C112 C95 -60(3) . . . . ?
C349 C94 C107 C106 60(3) . . . . ?
C349 C102 C377 C106 -64(2) . . . . ?
C377 C102 C349 C94 61(3) . . . . ?
C377 C106 C107 C94 -60(3) . . . . ?
C377 C106 C198 C95 60.5(19) . . . . ?
C198 C95 C103 C102 66(2) . . . . ?
C198 C95 C112 C94 -58(3) . . . . ?
C198 C106 C107 C94 59(3) . . . . ?
C198 C106 C377 C102 -60(2) . . . . ?
C132 C104 C167 C105 62.2(17) . . . . ?
C132 C131 C358 C105 -64.9(16) . . . . ?
C167 C104 C132 C131 -63.2(17) . . . . ?
C167 C105 C358 C131 64.2(16) . . . . ?
C358 C105 C167 C104 -63.1(16) . . . . ?
C358 C131 C132 C104 64.8(16) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 -0.122 -0.629 0.000 2315.1 548.0 ?
2 -0.758 -0.407 0.500 2315.1 548.0 ?
3 -0.049 0.489 0.796 14.2 0.0 ?
4 0.049 0.511 0.204 14.2 0.0 ?
5 0.451 0.011 0.296 14.2 0.0 ?
6 0.549 0.989 0.704 14.2 0.0 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_Au16Cd3
_database_code_depnum_ccdc_archive 'CCDC 2381500'
loop_
_audit_author_name
_audit_author_address
'Qinzhen Li'
;Anhui University
China
;
_audit_update_record             
;
2024-09-03 deposited with the CCDC.	2026-04-20 downloaded from the CCDC.
;
_audit_creation_date             2023-05-22
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748)
;
_shelx_SHELXL_version_number     2017/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C141 H177 Au16 Cd3 Cl3 N3 P3 S9'
_chemical_formula_sum            'C141 H177 Au16 Cd3 Cl3 N3 P3 S9'
_chemical_formula_weight         5890.31
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -4.4197 7.2980 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cd Cd 0.1185 4.6533 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   16.8145(4)
_cell_length_b                   17.0639(4)
_cell_length_c                   31.7354(8)
_cell_angle_alpha                82.183(2)
_cell_angle_beta                 84.464(2)
_cell_angle_gamma                63.191(2)
_cell_volume                     8045.0(4)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    41260
_cell_measurement_temperature    120
_cell_measurement_theta_max      70.17
_cell_measurement_theta_min      3.22
_shelx_estimated_absorpt_T_max   0.298
_shelx_estimated_absorpt_T_min   0.143
_exptl_absorpt_coefficient_mu    31.903
_exptl_absorpt_correction_T_max  0.3568
_exptl_absorpt_correction_T_min  0.0135
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
STOE X-Red32, absorption correction by Gaussian integration, analogous to
P. Coppens, "The Evaluation of Absorption and Extinction in Single-Crystal
Structure Analysis", published in: F. R. Ahmed (Editor), "Crystallographic
Computing", Munksgaard, Copenhagen (1970), 255 - 270.
Afterwards scaling of reflection intensities was performed within STOE LANA.
J. Koziskova, F. Hahn, J. Richter, J. Kozisek, "Comparison of different
absorption corrections on the model structure of tetrakis(μ₂-acetato)-
diaqua-di-copper(II)", Acta Chimica Slovaca, vol. 9, no. 2, 2016, pp. 136 - 140.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    2.432
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             5384
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
30 25 2 0.0256
-15 6 8 0.0453
-15 -30 17 0.0255
11 12 15 0.0225
-3 -1 -15 0.0282
30 11 22 0.0193
13 30 -17 0.0243
-30 -19 2 0.0187
30 -23 -26 0.0466

_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0694
_diffrn_reflns_av_unetI/netI     0.1123
_diffrn_reflns_Laue_measured_fraction_full 0.961
_diffrn_reflns_Laue_measured_fraction_max 0.961
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_number            59840
_diffrn_reflns_point_group_measured_fraction_full 0.961
_diffrn_reflns_point_group_measured_fraction_max 0.961
_diffrn_reflns_theta_full        66.000
_diffrn_reflns_theta_max         66.000
_diffrn_reflns_theta_min         3.218
_diffrn_ambient_temperature      120
_diffrn_detector                 Pilatus300K
_diffrn_detector_area_resol_mean 5.81
_diffrn_detector_type            'DECTRIS PILATUS 300K'
_diffrn_measured_fraction_theta_full 0.961
_diffrn_measured_fraction_theta_max 0.961
_diffrn_measurement_details      
;
 1844 frames, detector distance = 60 mm
;
_diffrn_measurement_device       'Eulerian 4-circle diffractometer'
_diffrn_measurement_device_type  'STOE STADIVARI'
_diffrn_measurement_method       'rotation method, ω scans'
_diffrn_radiation_collimation    '1.2 mm, 0.6 diameter'
_diffrn_radiation_monochromator  'Graded multilayer mirror'
_diffrn_radiation_polarisn_norm  270
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54186
_diffrn_source                   'GeniX 3D HF Cu'
_diffrn_source_current           0.600
_diffrn_source_power             0.030
_diffrn_source_voltage           50
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                16934
_reflns_number_total             26940
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       
;
X-Area Recipe 1.33.0.0 (STOE, 2015)
;
_computing_data_collection       
;
X-Area Pilatus3_SV 1.31.153.0 (STOE, 2018)
;
_computing_data_reduction        
;
X-Area Integrate 1.74.2.0 (STOE, 2018)
X-Area LANA 1.75.3.0 (STOE, 2018)
;
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  
;
STOE & Cie GmbH, X-Area, software package for collecting single-crystal or
multi-domain crystal data on STOE area-detector diffractometers, for image 
processing, for the correction and scaling of reflection intensities and 
for outlier rejection, version 1.86, Darmstadt 2018
;
_computing_structure_refinement  'SHELXL 2017/1 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         5.639
_refine_diff_density_min         -5.171
_refine_diff_density_rms         0.502
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.939
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1603
_refine_ls_number_reflns         26940
_refine_ls_number_restraints     1152
_refine_ls_R_factor_all          0.1010
_refine_ls_R_factor_gt           0.0729
_refine_ls_restrained_S_all      0.923
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1129P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1781
_refine_ls_wR_factor_ref         0.1914
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2. Uiso/Uaniso restraints and constraints
C01N \\sim C03X \\sim C03J \\sim C04Y \\sim C03B \\sim C02G: within 1.7A with
sigma of 0.004 and sigma for terminal atoms of 0.008 within 1.7A
C01D \\sim C01S \\sim C023 \\sim C02R \\sim C03I \\sim C60 \\sim C69 \\sim C77
\\sim C130 \\sim C170: within 1.7A with sigma of 0.004 and sigma for terminal
atoms of 0.008 within 1.7A
C039 \\sim C03F \\sim C43 \\sim C03M \\sim C045: within 1.7A with sigma of
0.004 and sigma for terminal atoms of 0.008 within 1.7A
N00Z \\sim C01J \\sim C020 \\sim C01R \\sim C4: within 1.7A with sigma of 0.004
and sigma for terminal atoms of 0.008 within 1.7A
C02K \\sim C03P \\sim C01Z \\sim C049 \\sim C02O \\sim C03A: within 1.7A with
sigma of 0.004 and sigma for terminal atoms of 0.008 within 1.7A
Uanis(C3) \\sim Ueq, Uanis(C013) \\sim Ueq, Uanis(C015) \\sim Ueq, Uanis(C4)
\\sim Ueq, Uanis(C2) \\sim Ueq, Uanis(C1) \\sim Ueq, Uanis(C01A) \\sim Ueq,
Uanis(C01B) \\sim Ueq, Uanis(C01D) \\sim Ueq, Uanis(C01E) \\sim Ueq,
Uanis(C01F) \\sim Ueq, Uanis(C01G) \\sim Ueq, Uanis(C5) \\sim Ueq, Uanis(C01J)
\\sim Ueq, Uanis(C01K) \\sim Ueq, Uanis(C01L) \\sim Ueq, Uanis(C01M) \\sim Ueq,
Uanis(C01N) \\sim Ueq, Uanis(C01O) \\sim Ueq, Uanis(C01P) \\sim Ueq,
Uanis(C01Q) \\sim Ueq, Uanis(C01R) \\sim Ueq, Uanis(C01S) \\sim Ueq,
Uanis(C01T) \\sim Ueq, Uanis(C01V) \\sim Ueq, Uanis(C01W) \\sim Ueq,
Uanis(C01X) \\sim Ueq, Uanis(C01Y) \\sim Ueq, Uanis(C01Z) \\sim Ueq,
Uanis(C020) \\sim Ueq, Uanis(C021) \\sim Ueq, Uanis(C022) \\sim Ueq,
Uanis(C023) \\sim Ueq, Uanis(C024) \\sim Ueq, Uanis(C025) \\sim Ueq,
Uanis(C026) \\sim Ueq, Uanis(C027) \\sim Ueq, Uanis(C028) \\sim Ueq,
Uanis(C029) \\sim Ueq, Uanis(C02A) \\sim Ueq, Uanis(C02B) \\sim Ueq,
Uanis(C02C) \\sim Ueq, Uanis(C02D) \\sim Ueq, Uanis(C02E) \\sim Ueq,
Uanis(C02G) \\sim Ueq, Uanis(C02H) \\sim Ueq, Uanis(C02I) \\sim Ueq,
Uanis(C02J) \\sim Ueq, Uanis(C02K) \\sim Ueq, Uanis(C02L) \\sim Ueq,
Uanis(C02N) \\sim Ueq, Uanis(C02O) \\sim Ueq, Uanis(C02P) \\sim Ueq,
Uanis(C02Q) \\sim Ueq, Uanis(C02R) \\sim Ueq, Uanis(C02S) \\sim Ueq,
Uanis(C02T) \\sim Ueq, Uanis(C02U) \\sim Ueq, Uanis(C02V) \\sim Ueq,
Uanis(C02W) \\sim Ueq, Uanis(C02X) \\sim Ueq, Uanis(C02Y) \\sim Ueq,
Uanis(C02Z) \\sim Ueq, Uanis(C030) \\sim Ueq, Uanis(C031) \\sim Ueq,
Uanis(C033) \\sim Ueq, Uanis(C035) \\sim Ueq, Uanis(C036) \\sim Ueq,
Uanis(C037) \\sim Ueq, Uanis(C038) \\sim Ueq, Uanis(C039) \\sim Ueq,
Uanis(C03A) \\sim Ueq, Uanis(C03B) \\sim Ueq, Uanis(C03C) \\sim Ueq,
Uanis(C03D) \\sim Ueq, Uanis(C03E) \\sim Ueq, Uanis(C03F) \\sim Ueq,
Uanis(C03G) \\sim Ueq, Uanis(C03I) \\sim Ueq, Uanis(C03J) \\sim Ueq,
Uanis(C03K) \\sim Ueq, Uanis(C03L) \\sim Ueq, Uanis(C03M) \\sim Ueq,
Uanis(C03N) \\sim Ueq, Uanis(C03O) \\sim Ueq, Uanis(C03P) \\sim Ueq,
Uanis(C03Q) \\sim Ueq, Uanis(C03R) \\sim Ueq, Uanis(C03S) \\sim Ueq,
Uanis(C03T) \\sim Ueq, Uanis(C03V) \\sim Ueq, Uanis(C03X) \\sim Ueq,
Uanis(C03Y) \\sim Ueq, Uanis(C03Z) \\sim Ueq, Uanis(C040) \\sim Ueq,
Uanis(C041) \\sim Ueq, Uanis(C042) \\sim Ueq, Uanis(C044) \\sim Ueq,
Uanis(C045) \\sim Ueq, Uanis(C046) \\sim Ueq, Uanis(C049) \\sim Ueq,
Uanis(C04A) \\sim Ueq, Uanis(C04B) \\sim Ueq, Uanis(C04C) \\sim Ueq,
Uanis(C04E) \\sim Ueq, Uanis(C04F) \\sim Ueq, Uanis(C04J) \\sim Ueq,
Uanis(C04K) \\sim Ueq, Uanis(C04L) \\sim Ueq, Uanis(C04M) \\sim Ueq,
Uanis(C04N) \\sim Ueq, Uanis(C04P) \\sim Ueq, Uanis(C04R) \\sim Ueq,
Uanis(C04V) \\sim Ueq, Uanis(C04Y) \\sim Ueq, Uanis(C052) \\sim Ueq,
Uanis(C05D) \\sim Ueq, Uanis(C39) \\sim Ueq, Uanis(C43) \\sim Ueq, Uanis(C44)
\\sim Ueq, Uanis(C45) \\sim Ueq, Uanis(C47) \\sim Ueq, Uanis(C48) \\sim Ueq,
Uanis(C49) \\sim Ueq, Uanis(C50) \\sim Ueq, Uanis(C55) \\sim Ueq, Uanis(C56)
\\sim Ueq, Uanis(C57) \\sim Ueq, Uanis(C58) \\sim Ueq, Uanis(C59) \\sim Ueq,
Uanis(C60) \\sim Ueq, Uanis(C61) \\sim Ueq, Uanis(C62) \\sim Ueq, Uanis(C66)
\\sim Ueq, Uanis(C69) \\sim Ueq, Uanis(C70) \\sim Ueq, Uanis(C76) \\sim Ueq,
Uanis(C77) \\sim Ueq, Uanis(C130) \\sim Ueq, Uanis(C170) \\sim Ueq, Uanis(C6)
\\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(N011) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(N014) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
3. Rigid body (RIGU) restrains
 S00V, C01D, C01S, C03I, C023, C02R, C60, C77, C170, C69, C130
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
4.a Ternary CH refined with riding coordinates:
 C01E(H01E), C028(H028), C02C(H02M), C02I(H02Q), C02J(H02R), C02P(H02W),
 C02R(H02Z), C02Z(H10), C031(H031), C033(H033), C03E(H03N), C03K(H03U),
 C042(H042), C046(H046), C04B(H04E), C04F(H04I), C04N(H04R), C04V(H04W),
 C45(H45), C48(H48), C49(H49), C50(H50), C58(H58), C59(H59), C66(H66), C77(H77),
  C130(H130)
4.b Secondary CH2 refined with riding coordinates:
 C015(H01A,H01B), C01B(H01C,H01D), C01F(H01F,H01G), C01G(H01H,H01I), C01L(H01K,
 H01L), C01P(H01P,H01Q), C01S(H01S,H01T), C01T(H01U,H01V), C01X(H01X,H01Y),
 C021(H02A,H02B), C022(H02C,H02D), C023(H02E,H02F), C026(H02G,H02H), C029(H02I,
 H02J), C02E(H02N,H02O), C02Q(H02X,H02Y), C02S(H02,H), C02T(H1,HA), C02V(H6,HB),
  C02W(H7,HC), C02Y(H9,HD), C030(H03A,H03B), C035(H03C,H03D), C037(H03E,H03F),
 C038(H03G,H03H), C03C(H03K,H03L), C03G(H03P,H03Q), C03I(H03R,H03S), C03N(H03W,
 H03X), C03O(H03Y,HE), C03Q(H03Z,HF), C03R(H03,HG), C03S(H11,HH), C03Z(H15,HI),
 C041(H04A,H04B), C04A(H04C,H04D), C04C(H04F,H04G), C04J(H04J,H04K), C04K(H04L,
 H04M), C04L(H04N,H04O), C04M(H04P,H04Q), C04P(H04S,H04T), C04R(H04U,H04V),
 C05D(H05A,H05B), C39(H39A,H39B), C44(H44A,H44B), C47(H47A,H47B), C57(H57A,
 H57B), C60(H60A,H60B), C61(H61A,H61B), C69(H69A,H69B), C76(H76A,H76B),
 C170(H17A,H17B), C6(H6A,H6B)
4.c Aromatic/amide H refined with riding coordinates:
 C4(H4), C2(H2), C5(H5), C01J(H01J), C01M(H01M), C01N(H01N), C01O(H01O),
 C01R(H01R), C01V(H01W), C01Z(H01Z), C020(H020), C027(H027), C02A(H02K),
 C02B(H02L), C02H(H02P), C02K(H02S), C02L(H02T), C02N(H02U), C02O(H02V),
 C02U(H3), C02X(H8), C036(H036), C03A(H03I), C03B(H03J), C03D(H03M), C03F(H03O),
  C03J(H03T), C03M(H03V), C03T(H12), C03X(H13), C03Y(H14), C040(H040),
 C045(H045), C049(H049), C04E(H04H), C04Y(H04Y), C052(H052), C43(H43), C55(H55),
  C56(H56), C62(H62), C70(H70)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au01 Au 0.20102(5) 0.52599(6) 0.74503(3) 0.01854(18) Uani 1 1 d . . . . .
Au02 Au 0.30028(6) 0.39810(6) 0.69406(3) 0.01884(18) Uani 1 1 d . . . . .
Au03 Au 0.03898(6) 0.66808(6) 0.70090(3) 0.01948(18) Uani 1 1 d . . . . .
Au04 Au 0.38483(6) 0.42715(6) 0.75331(3) 0.01986(18) Uani 1 1 d . . . . .
Au05 Au 0.11383(6) 0.41726(6) 0.77577(3) 0.02069(19) Uani 1 1 d . . . . .
Au06 Au 0.28831(6) 0.57706(6) 0.80454(3) 0.01890(18) Uani 1 1 d . . . . .
Au07 Au 0.10511(6) 0.49922(6) 0.67894(3) 0.02077(19) Uani 1 1 d . . . . .
Au08 Au 0.18876(6) 0.46156(6) 0.83318(3) 0.02043(19) Uani 1 1 d . . . . .
Au09 Au 0.31948(6) 0.61256(6) 0.72208(3) 0.01874(18) Uani 1 1 d . . . . .
Au0A Au 0.13122(6) 0.70125(6) 0.75750(3) 0.02209(19) Uani 1 1 d . . . . .
Au0B Au 0.29372(6) 0.32909(6) 0.78305(3) 0.01976(18) Uani 1 1 d . . . . .
Au0C Au 0.20241(6) 0.58568(6) 0.65613(3) 0.02109(19) Uani 1 1 d . . . . .
Au0D Au 0.45710(6) 0.56657(6) 0.77527(3) 0.02114(19) Uani 1 1 d . . . . .
Au0E Au 0.03900(6) 0.60855(6) 0.78782(3) 0.02130(19) Uani 1 1 d . . . . .
Au0F Au 0.19159(6) 0.43228(6) 0.59879(3) 0.02255(19) Uani 1 1 d . . . . .
Au0G Au -0.03810(6) 0.45324(7) 0.83227(3) 0.0306(2) Uani 1 1 d . . . . .
Cd0H Cd 0.30466(10) 0.73068(10) 0.78462(5) 0.0206(3) Uani 1 1 d . . . . .
Cd0I Cd 0.17002(11) 0.30459(10) 0.85203(5) 0.0254(3) Uani 1 1 d . . . . .
Cd0J Cd 0.04404(11) 0.64705(10) 0.61321(5) 0.0243(3) Uani 1 1 d . . . . .
S0K S 0.2212(3) 0.5532(4) 0.87128(15) 0.0208(10) Uani 1 1 d . . . . .
S0L S 0.3214(3) 0.3290(3) 0.63138(16) 0.0225(11) Uani 1 1 d . . . . .
S0M S 0.0336(3) 0.4190(3) 0.71692(17) 0.0238(11) Uani 1 1 d . . . . .
S0N S 0.3297(3) 0.6126(3) 0.64739(15) 0.0220(11) Uani 1 1 d . . . . .
S00O S 0.1481(4) 0.8319(4) 0.75664(17) 0.0266(11) Uani 1 1 d . . . . .
Cl0P Cl 0.3232(4) 0.7689(4) 0.85358(17) 0.0303(12) Uani 1 1 d . . . . .
S0Q S -0.0875(4) 0.6036(4) 0.82499(17) 0.0275(12) Uani 1 1 d . . . . .
P0R P 0.3914(4) 0.1814(4) 0.79438(17) 0.0238(12) Uani 1 1 d . . . . .
S0S S 0.5109(4) 0.4064(3) 0.78875(17) 0.0248(11) Uani 1 1 d . . . . .
S00T S 0.0662(4) 0.5325(4) 0.56177(17) 0.0248(11) Uani 1 1 d . . . . .
P0U P -0.0992(4) 0.7853(4) 0.68876(17) 0.0218(11) Uani 1 1 d . . . . .
S00V S 0.0128(4) 0.3021(4) 0.8453(2) 0.0335(13) Uani 1 1 d . . . . .
P00W P 0.5338(4) 0.6491(4) 0.77102(18) 0.0243(12) Uani 1 1 d . . . . .
Cl0X Cl 0.0167(4) 0.7890(4) 0.57109(18) 0.0379(14) Uani 1 1 d . . . . .
Cl0Y Cl 0.1953(5) 0.2779(5) 0.92794(18) 0.0518(18) Uani 1 1 d . . . . .
N00Z N 0.3894(13) 0.7991(13) 0.7445(6) 0.031(3) Uani 1 1 d . U . . .
N011 N 0.2648(12) 0.1456(12) 0.8404(6) 0.026(4) Uani 1 1 d . U . . .
C3 C 0.4763(15) 0.7621(16) 0.7444(7) 0.027(5) Uani 1 1 d . U . . .
C013 C 0.0777(13) 0.3044(14) 0.7030(6) 0.019(4) Uani 1 1 d . U . . .
N014 N -0.1173(12) 0.7073(13) 0.6226(6) 0.026(4) Uani 1 1 d . U . . .
C015 C 0.0744(15) 0.3065(14) 0.6555(7) 0.025(5) Uani 1 1 d . U . . .
H01A H 0.012859 0.345090 0.646424 0.030 Uiso 1 1 calc R U . . .
H01B H 0.113948 0.331320 0.640829 0.030 Uiso 1 1 calc R U . . .
C4 C 0.5252(16) 0.8063(16) 0.7225(8) 0.034(3) Uani 1 1 d . U . . .
H4 H 0.588555 0.778196 0.721947 0.041 Uiso 1 1 calc R U . . .
C2 C 0.5800(17) 0.5945(19) 0.8549(8) 0.040(6) Uani 1 1 d . U . . .
H2 H 0.587091 0.538080 0.849872 0.048 Uiso 1 1 calc R U . . .
C1 C 0.5564(15) 0.6663(17) 0.8214(8) 0.031(5) Uani 1 1 d . U . . .
C01A C 0.3132(16) 0.4866(16) 0.9071(7) 0.030(5) Uani 1 1 d . U . . .
C01B C -0.1858(14) 0.6345(16) 0.8993(7) 0.027(5) Uani 1 1 d . U . . .
H01C H -0.234618 0.680014 0.881824 0.032 Uiso 1 1 calc R U . . .
H01D H -0.187407 0.577107 0.899591 0.032 Uiso 1 1 calc R U . . .
C01D C -0.057(2) 0.292(2) 0.8924(9) 0.048(2) Uani 1 1 d . U . . .
C01E C 0.1035(16) 0.2153(15) 0.6433(8) 0.029(5) Uani 1 1 d . U . . .
H01E H 0.101611 0.216988 0.611817 0.035 Uiso 1 1 calc R U . . .
C01F C 0.1719(18) 0.2425(19) 0.7175(9) 0.046(7) Uani 1 1 d . U . . .
H01F H 0.212922 0.267354 0.704841 0.055 Uiso 1 1 calc R U . . .
H01G H 0.172428 0.239861 0.748794 0.055 Uiso 1 1 calc R U . . .
C01G C 0.0787(16) 0.8240(16) 0.8419(8) 0.033(5) Uani 1 1 d . U . . .
H01H H 0.059852 0.780187 0.834943 0.040 Uiso 1 1 calc R U . . .
H01I H 0.140092 0.791569 0.852215 0.040 Uiso 1 1 calc R U . . .
C5 C 0.6392(13) 0.6058(14) 0.6975(7) 0.020(4) Uani 1 1 d . U . . .
H5 H 0.583375 0.627248 0.684695 0.024 Uiso 1 1 calc R U . . .
C01J C 0.3466(17) 0.8834(16) 0.7263(8) 0.034(3) Uani 1 1 d . U . . .
H01J H 0.283558 0.912688 0.730038 0.041 Uiso 1 1 calc R U . . .
C01K C -0.0924(15) 0.6280(15) 0.8810(7) 0.027(5) Uani 1 1 d . U . . .
C01L C 0.6118(13) 0.3919(15) 0.7107(7) 0.022(4) Uani 1 1 d . U . . .
H01K H 0.560592 0.394057 0.696718 0.026 Uiso 1 1 calc R U . . .
H01L H 0.602664 0.453322 0.711098 0.026 Uiso 1 1 calc R U . . .
C01M C 0.5917(19) 0.611(2) 0.8935(9) 0.046(7) Uani 1 1 d . U . . .
H01M H 0.606215 0.563793 0.915860 0.055 Uiso 1 1 calc R U . . .
C01N C 0.4157(17) 0.1479(16) 0.7102(7) 0.033(3) Uani 1 1 d . U . . .
H01N H 0.353038 0.183003 0.708893 0.039 Uiso 1 1 calc R U . . .
C01O C -0.2502(17) 0.7323(18) 0.5929(8) 0.036(6) Uani 1 1 d . U . . .
H01O H -0.278943 0.719166 0.572422 0.044 Uiso 1 1 calc R U . . .
C01P C 0.3670(17) 0.3905(18) 0.8989(8) 0.040(6) Uani 1 1 d . U . . .
H01P H 0.326619 0.362119 0.900607 0.048 Uiso 1 1 calc R U . . .
H01Q H 0.394863 0.387250 0.869870 0.048 Uiso 1 1 calc R U . . .
C01Q C 0.0780(15) 0.8868(14) 0.8006(7) 0.022(4) Uani 1 1 d . U . . .
C01R C 0.4804(17) 0.8897(17) 0.7021(8) 0.036(3) Uani 1 1 d . U . . .
H01R H 0.511747 0.920453 0.687600 0.043 Uiso 1 1 calc R U . . .
C01S C -0.024(2) 0.197(2) 0.9103(9) 0.049(3) Uani 1 1 d . U . . .
H01S H 0.035274 0.175212 0.922117 0.059 Uiso 1 1 calc R U . . .
H01T H -0.017811 0.160704 0.887048 0.059 Uiso 1 1 calc R U . . .
C01T C 0.1798(17) 0.5987(16) 0.5155(8) 0.032(5) Uani 1 1 d . U . . .
H01U H 0.228925 0.556320 0.533715 0.038 Uiso 1 1 calc R U . . .
H01V H 0.148043 0.654154 0.529208 0.038 Uiso 1 1 calc R U . . .
C01V C -0.2995(15) 0.7947(16) 0.6216(7) 0.030(5) Uani 1 1 d . U . . .
H01W H -0.362585 0.825871 0.620597 0.035 Uiso 1 1 calc R U . . .
C01W C -0.1643(14) 0.7658(14) 0.6505(6) 0.020(4) Uani 1 1 d . U . . .
C01X C 0.3695(15) 0.7505(15) 0.6308(7) 0.026(5) Uani 1 1 d . U . . .
H01X H 0.430075 0.706109 0.622879 0.032 Uiso 1 1 calc R U . . .
H01Y H 0.366558 0.754221 0.661792 0.032 Uiso 1 1 calc R U . . .
C01Y C 0.4135(16) 0.3406(16) 0.5975(8) 0.031(5) Uani 1 1 d . U . . .
C01Z C -0.2949(16) 0.8604(16) 0.8051(8) 0.032(3) Uani 1 1 d . U . . .
H01Z H -0.337485 0.876960 0.828185 0.038 Uiso 1 1 calc R U . . .
C020 C 0.3868(16) 0.9281(17) 0.7034(8) 0.035(3) Uani 1 1 d . U . . .
H020 H 0.353058 0.984245 0.688403 0.042 Uiso 1 1 calc R U . . .
C021 C 0.0420(18) 0.1798(18) 0.6659(8) 0.037(6) Uani 1 1 d . U . . .
H02A H -0.019945 0.219528 0.657621 0.045 Uiso 1 1 calc R U . . .
H02B H 0.058070 0.121029 0.656774 0.045 Uiso 1 1 calc R U . . .
C022 C 0.3749(17) 0.5301(17) 0.9057(8) 0.036(6) Uani 1 1 d . U . . .
H02C H 0.341282 0.590593 0.914332 0.043 Uiso 1 1 calc R U . . .
H02D H 0.399864 0.534264 0.876390 0.043 Uiso 1 1 calc R U . . .
C023 C -0.061(2) 0.345(2) 0.9276(9) 0.050(3) Uani 1 1 d . U . . .
H02E H -0.083412 0.407932 0.916538 0.060 Uiso 1 1 calc R U . . .
H02F H -0.000429 0.324354 0.937938 0.060 Uiso 1 1 calc R U . . .
C024 C 0.6418(14) 0.6037(14) 0.7422(7) 0.024(5) Uani 1 1 d . U . . .
C025 C 0.1164(14) 0.5609(15) 0.5099(7) 0.025(5) Uani 1 1 d . U . . .
C026 C 0.2067(16) 0.7956(16) 0.6300(8) 0.031(5) Uani 1 1 d . U . . .
H02G H 0.160707 0.778001 0.623811 0.037 Uiso 1 1 calc R U . . .
H02H H 0.201100 0.802801 0.660703 0.037 Uiso 1 1 calc R U . . .
C027 C 0.5458(16) 0.7475(18) 0.8321(8) 0.036(6) Uani 1 1 d . U . . .
H027 H 0.530951 0.796021 0.810676 0.043 Uiso 1 1 calc R U . . .
C028 C 0.4528(18) 0.473(2) 0.9370(8) 0.042(6) Uani 1 1 d . U . . .
H028 H 0.494301 0.500872 0.935589 0.051 Uiso 1 1 calc R U . . .
C029 C -0.0963(16) 0.7203(15) 0.8799(7) 0.029(5) Uani 1 1 d . U . . .
H02I H -0.039478 0.718957 0.867447 0.035 Uiso 1 1 calc R U . . .
H02J H -0.144935 0.763396 0.861547 0.035 Uiso 1 1 calc R U . . .
C02A C -0.1588(17) 0.6909(17) 0.5953(8) 0.035(6) Uani 1 1 d . U . . .
H02K H -0.124681 0.648441 0.576146 0.042 Uiso 1 1 calc R U . . .
C02B C 0.5840(18) 0.6894(18) 0.9031(9) 0.041(6) Uani 1 1 d . U . . .
H02L H 0.598063 0.695221 0.930406 0.049 Uiso 1 1 calc R U . . .
C02C C 0.0730(19) 0.6517(18) 0.4391(8) 0.043(6) Uani 1 1 d . U . . .
H02M H 0.022307 0.696731 0.421959 0.051 Uiso 1 1 calc R U . . .
C02D C 0.6152(17) 0.3475(17) 0.7576(8) 0.036(6) Uani 1 1 d . U . . .
C02E C 0.0386(18) 0.6305(19) 0.4840(8) 0.042(6) Uani 1 1 d . U . . .
H02N H 0.009051 0.684937 0.498621 0.050 Uiso 1 1 calc R U . . .
H02O H -0.005785 0.608339 0.481656 0.050 Uiso 1 1 calc R U . . .
C02G C 0.4580(16) 0.1325(17) 0.7474(8) 0.033(3) Uani 1 1 d . U . . .
C02H C -0.0237(17) 0.9812(17) 0.6640(8) 0.037(6) Uani 1 1 d . U . . .
H02P H 0.023394 0.991401 0.672281 0.044 Uiso 1 1 calc R U . . .
C02I C 0.2062(17) 0.1498(16) 0.7052(8) 0.033(5) Uani 1 1 d . U . . .
H02Q H 0.268704 0.111987 0.714291 0.040 Uiso 1 1 calc R U . . .
C02J C 0.0466(16) 0.1718(16) 0.7127(8) 0.031(5) Uani 1 1 d . U . . .
H02R H 0.004867 0.148211 0.726897 0.037 Uiso 1 1 calc R U . . .
C02K C -0.1939(15) 0.8928(15) 0.7543(7) 0.029(3) Uani 1 1 d . U . . .
H02S H -0.166299 0.929565 0.743343 0.034 Uiso 1 1 calc R U . . .
C02L C 0.7969(16) 0.5497(15) 0.6930(8) 0.031(5) Uani 1 1 d . U . . .
H02T H 0.850564 0.530455 0.675938 0.037 Uiso 1 1 calc R U . . .
C02N C -0.2554(16) 0.8096(17) 0.6510(8) 0.035(6) Uani 1 1 d . U . . .
H02U H -0.287309 0.849887 0.671416 0.042 Uiso 1 1 calc R U . . .
C02O C -0.2770(15) 0.7874(16) 0.7870(7) 0.030(3) Uani 1 1 d . U . . .
H02V H -0.304164 0.750437 0.798302 0.036 Uiso 1 1 calc R U . . .
C02P C 0.0176(15) 0.8751(16) 0.8761(7) 0.031(5) Uani 1 1 d . U . . .
H02W H 0.018463 0.834200 0.901989 0.037 Uiso 1 1 calc R U . . .
C02Q C -0.0488(19) 1.0575(19) 0.8317(9) 0.046(7) Uani 1 1 d . U . . .
H02X H -0.089317 1.094131 0.853591 0.056 Uiso 1 1 calc R U . . .
H02Y H -0.048530 1.097234 0.805929 0.056 Uiso 1 1 calc R U . . .
C02R C -0.123(2) 0.335(2) 0.9652(10) 0.051(3) Uani 1 1 d . U . . .
H02Z H -0.124240 0.369719 0.988431 0.062 Uiso 1 1 calc R U . . .
C02S C 0.0171(14) 0.2693(15) 0.7245(8) 0.026(5) Uani 1 1 d . U . . .
H02 H -0.044624 0.308076 0.715739 0.032 Uiso 1 1 calc R U . . .
H H 0.018396 0.268280 0.755726 0.032 Uiso 1 1 calc R U . . .
C02T C 0.4543(18) 0.2650(18) 0.5718(8) 0.039(6) Uani 1 1 d . U . . .
H1 H 0.409710 0.267566 0.552719 0.047 Uiso 1 1 calc R U . . .
HA H 0.474069 0.209048 0.590729 0.047 Uiso 1 1 calc R U . . .
C02U C -0.0255(14) 0.9048(14) 0.6745(7) 0.024(5) Uani 1 1 d . U . . .
H3 H 0.024646 0.857623 0.687895 0.029 Uiso 1 1 calc R U . . .
C02V C 0.6913(15) 0.3472(16) 0.7780(7) 0.030(5) Uani 1 1 d . U . . .
H6 H 0.695566 0.318016 0.807431 0.037 Uiso 1 1 calc R U . . .
HB H 0.680455 0.408785 0.779504 0.037 Uiso 1 1 calc R U . . .
C02W C 0.1381(18) 0.6873(17) 0.4450(8) 0.038(6) Uani 1 1 d . U . . .
H7 H 0.107464 0.741438 0.459782 0.046 Uiso 1 1 calc R U . . .
HC H 0.161094 0.702970 0.416853 0.046 Uiso 1 1 calc R U . . .
C02X C 0.7208(15) 0.5804(15) 0.7600(7) 0.026(5) Uani 1 1 d . U . . .
H8 H 0.722207 0.584876 0.789378 0.032 Uiso 1 1 calc R U . . .
C02Y C -0.0216(14) 0.9442(16) 0.7861(7) 0.027(5) Uani 1 1 d . U . . .
H9 H -0.022444 0.985931 0.761064 0.032 Uiso 1 1 calc R U . . .
HD H -0.044724 0.904806 0.777622 0.032 Uiso 1 1 calc R U . . .
C02Z C -0.0813(15) 0.9951(15) 0.8213(7) 0.027(5) Uani 1 1 d . U . . .
H10 H -0.143468 1.029274 0.811183 0.032 Uiso 1 1 calc R U . . .
C030 C 0.258(2) 0.910(2) 0.6171(10) 0.050(7) Uani 1 1 d . U . . .
H03A H 0.246078 0.968428 0.601432 0.060 Uiso 1 1 calc R U . . .
H03B H 0.251466 0.916447 0.647948 0.060 Uiso 1 1 calc R U . . .
C031 C 0.0492(18) 1.0043(18) 0.8489(9) 0.041(6) Uani 1 1 d . U . . .
H031 H 0.071058 1.045745 0.856864 0.049 Uiso 1 1 calc R U . . .
C033 C 0.3435(17) 0.4381(18) 0.9844(8) 0.037(6) Uani 1 1 d . U . . .
H033 H 0.316847 0.439168 1.013984 0.045 Uiso 1 1 calc R U . . .
C035 C 0.1065(15) 0.9539(16) 0.8139(8) 0.034(6) Uani 1 1 d . U . . .
H03C H 0.168813 0.922028 0.823080 0.041 Uiso 1 1 calc R U . . .
H03D H 0.104856 0.996049 0.788888 0.041 Uiso 1 1 calc R U . . .
C036 C 0.5564(17) 0.7585(19) 0.8730(8) 0.040(6) Uani 1 1 d . U . . .
H036 H 0.544071 0.815385 0.880079 0.048 Uiso 1 1 calc R U . . .
C037 C -0.0811(15) 0.9309(16) 0.8605(7) 0.032(5) Uani 1 1 d . U . . .
H03E H -0.104308 0.890775 0.852964 0.038 Uiso 1 1 calc R U . . .
H03F H -0.120184 0.964398 0.883598 0.038 Uiso 1 1 calc R U . . .
C038 C 0.1640(16) 0.4766(16) 0.4871(7) 0.033(5) Uani 1 1 d . U . . .
H03G H 0.122580 0.450922 0.484553 0.039 Uiso 1 1 calc R U . . .
H03H H 0.215593 0.432198 0.503397 0.039 Uiso 1 1 calc R U . . .
C039 C 0.3353(17) 0.1097(17) 0.8114(8) 0.034(3) Uani 1 1 d . U . . .
C03A C -0.2183(14) 0.7658(16) 0.7515(7) 0.028(3) Uani 1 1 d . U . . .
H03I H -0.206105 0.714236 0.738633 0.034 Uiso 1 1 calc R U . . .
C03B C 0.5495(17) 0.0874(17) 0.7470(8) 0.036(3) Uani 1 1 d . U . . .
H03J H 0.580180 0.079914 0.771933 0.044 Uiso 1 1 calc R U . . .
C03C C 0.6301(15) 0.2530(14) 0.7548(8) 0.028(5) Uani 1 1 d . U . . .
H03K H 0.632965 0.222617 0.783942 0.033 Uiso 1 1 calc R U . . .
H03L H 0.578869 0.254693 0.741088 0.033 Uiso 1 1 calc R U . . .
C03D C 0.7163(15) 0.5773(15) 0.6725(7) 0.029(5) Uani 1 1 d . U . . .
H03M H 0.715477 0.576102 0.642742 0.035 Uiso 1 1 calc R U . . .
C03E C 0.3513(18) 0.8429(17) 0.6060(8) 0.037(6) Uani 1 1 d . U . . .
H03N H 0.396038 0.862141 0.613200 0.044 Uiso 1 1 calc R U . . .
C03F C 0.3328(16) -0.0272(17) 0.8257(8) 0.034(3) Uani 1 1 d . U . . .
H03O H 0.355998 -0.086924 0.819855 0.041 Uiso 1 1 calc R U . . .
C03G C 0.7736(16) 0.3406(17) 0.7075(8) 0.034(6) Uani 1 1 d . U . . .
H03P H 0.830003 0.306134 0.691796 0.041 Uiso 1 1 calc R U . . .
H03Q H 0.766510 0.401527 0.706901 0.041 Uiso 1 1 calc R U . . .
C03I C -0.1550(19) 0.330(2) 0.8791(10) 0.051(3) Uani 1 1 d . U . . .
H03R H -0.178566 0.394103 0.870108 0.061 Uiso 1 1 calc R U . . .
H03S H -0.157583 0.300732 0.854691 0.061 Uiso 1 1 calc R U . . .
C03J C 0.5545(17) 0.0657(17) 0.6754(8) 0.036(3) Uani 1 1 d . U . . .
H03T H 0.588257 0.041608 0.650535 0.043 Uiso 1 1 calc R U . . .
C03K C 0.7785(16) 0.2995(18) 0.7536(8) 0.038(6) Uani 1 1 d . U . . .
H03U H 0.828466 0.300907 0.767643 0.045 Uiso 1 1 calc R U . . .
C03L C -0.0997(15) 0.8890(15) 0.6668(7) 0.026(5) Uani 1 1 d . U . . .
C03M C 0.2276(18) 0.0994(17) 0.8605(8) 0.038(4) Uani 1 1 d . U . . .
H03V H 0.176374 0.127098 0.878546 0.045 Uiso 1 1 calc R U . . .
C03N C 0.3777(17) 0.4303(17) 0.5694(8) 0.037(6) Uani 1 1 d . U . . .
H03W H 0.351296 0.479800 0.587425 0.044 Uiso 1 1 calc R U . . .
H03X H 0.331394 0.435386 0.550724 0.044 Uiso 1 1 calc R U . . .
C03O C 0.121(2) 0.571(2) 0.4169(9) 0.051(7) Uani 1 1 d . U . . .
H03Y H 0.145487 0.586515 0.388958 0.061 Uiso 1 1 calc R U . . .
HE H 0.079561 0.547692 0.411755 0.061 Uiso 1 1 calc R U . . .
C03P C -0.1778(15) 0.8182(15) 0.7350(7) 0.028(3) Uani 1 1 d . U . . .
C03Q C 0.2683(15) 0.4900(17) 0.9529(7) 0.031(5) Uani 1 1 d . U . . .
H03Z H 0.234356 0.551961 0.959456 0.037 Uiso 1 1 calc R U . . .
HF H 0.226715 0.463012 0.954792 0.037 Uiso 1 1 calc R U . . .
C03R C 0.0478(18) 0.9416(18) 0.8868(9) 0.043(6) Uani 1 1 d . U . . .
H03 H 0.007184 0.975835 0.909326 0.052 Uiso 1 1 calc R U . . .
HG H 0.108387 0.909447 0.898093 0.052 Uiso 1 1 calc R U . . .
C03S C 0.2005(18) 0.1566(19) 0.6583(8) 0.041(6) Uani 1 1 d . U . . .
H11 H 0.221843 0.096662 0.649430 0.049 Uiso 1 1 calc R U . . .
HH H 0.240158 0.181818 0.644162 0.049 Uiso 1 1 calc R U . . .
C03T C 0.5086(17) 0.2029(18) 0.8406(8) 0.039(6) Uani 1 1 d . U . . .
H12 H 0.481601 0.261304 0.826716 0.046 Uiso 1 1 calc R U . . .
C03V C 0.2997(15) 0.7214(15) 0.6199(7) 0.026(5) Uani 1 1 d . U . . .
C03X C 0.4667(16) 0.1109(17) 0.6744(8) 0.034(3) Uani 1 1 d . U . . .
H13 H 0.437883 0.118370 0.648797 0.041 Uiso 1 1 calc R U . . .
C03Y C 0.8027(16) 0.5489(17) 0.7342(8) 0.033(5) Uani 1 1 d . U . . .
H14 H 0.858887 0.528260 0.746522 0.039 Uiso 1 1 calc R U . . .
C03Z C 0.7937(19) 0.200(2) 0.7541(9) 0.049(7) Uani 1 1 d . U . . .
H15 H 0.851998 0.164831 0.739952 0.059 Uiso 1 1 calc R U . . .
HI H 0.793673 0.173488 0.783766 0.059 Uiso 1 1 calc R U . . .
C040 C 0.5787(19) 0.182(2) 0.8644(9) 0.049(7) Uani 1 1 d . U . . .
H040 H 0.600692 0.223428 0.867062 0.058 Uiso 1 1 calc R U . . .
C041 C 0.524(2) 0.432(2) 0.5708(10) 0.056(8) Uani 1 1 d . U . . .
H04A H 0.493012 0.481812 0.588253 0.067 Uiso 1 1 calc R U . . .
H04B H 0.573350 0.438755 0.554207 0.067 Uiso 1 1 calc R U . . .
C042 C -0.1124(16) 0.7496(17) 0.9242(8) 0.033(5) Uani 1 1 d . U . . .
H042 H -0.115002 0.809522 0.923017 0.040 Uiso 1 1 calc R U . . .
C044 C 0.4730(15) 0.1486(16) 0.8345(7) 0.027(5) Uani 1 1 d . U . . .
C045 C 0.3655(17) 0.0257(16) 0.8057(8) 0.033(3) Uani 1 1 d . U . . .
H045 H 0.414088 0.001677 0.785822 0.039 Uiso 1 1 calc R U . . .
C046 C 0.4609(17) 0.4324(16) 0.5418(8) 0.034(5) Uani 1 1 d . U . . .
H046 H 0.440064 0.488320 0.522129 0.040 Uiso 1 1 calc R U . . .
C049 C -0.2514(15) 0.9120(16) 0.7901(7) 0.031(3) Uani 1 1 d . U . . .
H049 H -0.261035 0.961016 0.804554 0.037 Uiso 1 1 calc R U . . .
C04A C -0.0382(18) 0.6842(18) 0.9506(9) 0.042(6) Uani 1 1 d . U . . .
H04C H -0.047647 0.701847 0.979813 0.050 Uiso 1 1 calc R U . . .
H04D H 0.018605 0.683675 0.938610 0.050 Uiso 1 1 calc R U . . .
C04B C 0.2937(18) 0.8008(18) 0.5474(8) 0.040(6) Uani 1 1 d . U . . .
H04E H 0.299571 0.793478 0.516376 0.048 Uiso 1 1 calc R U . . .
C04C C 0.4068(19) 0.479(2) 0.9814(9) 0.048(7) Uani 1 1 d . U . . .
H04F H 0.452230 0.448266 1.003245 0.057 Uiso 1 1 calc R U . . .
H04G H 0.373566 0.541933 0.986964 0.057 Uiso 1 1 calc R U . . .
C04E C -0.1651(15) 0.9528(17) 0.6434(8) 0.034(5) Uani 1 1 d . U . . .
H04H H -0.213241 0.943671 0.635605 0.040 Uiso 1 1 calc R U . . .
C04F C -0.0315(16) 0.5918(17) 0.9524(7) 0.033(5) Uani 1 1 d . U . . .
H04I H 0.018262 0.548954 0.970746 0.040 Uiso 1 1 calc R U . . .
C04J C 0.3609(19) 0.829(2) 0.5573(9) 0.049(7) Uani 1 1 d . U . . .
H04J H 0.351787 0.884672 0.539730 0.059 Uiso 1 1 calc R U . . .
H04K H 0.421650 0.783300 0.550586 0.059 Uiso 1 1 calc R U . . .
C04K C 0.5017(18) 0.3545(18) 0.5154(8) 0.039(6) Uani 1 1 d . U . . .
H04L H 0.552102 0.356715 0.497284 0.047 Uiso 1 1 calc R U . . .
H04M H 0.456533 0.357396 0.496591 0.047 Uiso 1 1 calc R U . . .
C04L C 0.713(2) 0.247(2) 0.6871(9) 0.049(7) Uani 1 1 d . U . . .
H04N H 0.665346 0.245489 0.671576 0.059 Uiso 1 1 calc R U . . .
H04O H 0.770127 0.214880 0.671670 0.059 Uiso 1 1 calc R U . . .
C04M C 0.3953(18) 0.3439(19) 0.9745(8) 0.044(6) Uani 1 1 d . U . . .
H04P H 0.441685 0.310641 0.995666 0.053 Uiso 1 1 calc R U . . .
H04Q H 0.354769 0.315736 0.976127 0.053 Uiso 1 1 calc R U . . .
C04N C 0.190(2) 0.8811(19) 0.6052(9) 0.047(7) Uani 1 1 d . U . . .
H04R H 0.127635 0.926299 0.611591 0.057 Uiso 1 1 calc R U . . .
C04P C 0.6036(18) 0.269(2) 0.5740(9) 0.047(7) Uani 1 1 d . U . . .
H04S H 0.628300 0.214044 0.593311 0.056 Uiso 1 1 calc R U . . .
H04T H 0.653410 0.273784 0.556172 0.056 Uiso 1 1 calc R U . . .
C04R C 0.2024(19) 0.866(2) 0.5572(9) 0.045(7) Uani 1 1 d . U . . .
H04U H 0.159357 0.846011 0.549930 0.054 Uiso 1 1 calc R U . . .
H04V H 0.190124 0.923095 0.539741 0.054 Uiso 1 1 calc R U . . .
C04V C -0.1951(16) 0.6598(16) 0.9448(7) 0.032(5) Uani 1 1 d . U . . .
H04W H -0.251518 0.660556 0.958476 0.039 Uiso 1 1 calc R U . . .
C04Y C 0.5959(17) 0.0538(17) 0.7116(8) 0.038(3) Uani 1 1 d . U . . .
H04Y H 0.658904 0.021137 0.712110 0.046 Uiso 1 1 calc R U . . .
C052 C 0.5135(17) 0.0621(17) 0.8564(8) 0.037(6) Uani 1 1 d . U . . .
H052 H 0.491002 0.021206 0.853399 0.044 Uiso 1 1 calc R U . . .
C05D C -0.2017(18) 0.7510(18) 0.9432(9) 0.042(6) Uani 1 1 d . U . . .
H05A H -0.213483 0.770025 0.972171 0.050 Uiso 1 1 calc R U . . .
H05B H -0.251457 0.793305 0.925251 0.050 Uiso 1 1 calc R U . . .
C39 C -0.1199(15) 0.5954(16) 0.9708(7) 0.029(5) Uani 1 1 d . U . . .
H39A H -0.117583 0.536154 0.972024 0.035 Uiso 1 1 calc R U . . .
H39B H -0.129677 0.612160 1.000196 0.035 Uiso 1 1 calc R U . . .
C43 C 0.2610(17) 0.0088(17) 0.8565(8) 0.036(3) Uani 1 1 d . U . . .
H43 H 0.237244 -0.026719 0.873295 0.043 Uiso 1 1 calc R U . . .
C44 C 0.5023(18) 0.3836(19) 0.9274(9) 0.045(7) Uani 1 1 d . U . . .
H44A H 0.550421 0.350629 0.947826 0.054 Uiso 1 1 calc R U . . .
H44B H 0.529889 0.381958 0.898359 0.054 Uiso 1 1 calc R U . . .
C45 C 0.1956(17) 0.5030(18) 0.4426(8) 0.037(6) Uani 1 1 d . U . . .
H45 H 0.224916 0.449177 0.427033 0.045 Uiso 1 1 calc R U . . .
C47 C 0.141(2) 0.115(2) 0.7282(9) 0.051(7) Uani 1 1 d . U . . .
H47A H 0.161170 0.052780 0.722395 0.061 Uiso 1 1 calc R U . . .
H47B H 0.141461 0.115381 0.759321 0.061 Uiso 1 1 calc R U . . .
C48 C 0.2167(18) 0.6168(18) 0.4716(8) 0.040(6) Uani 1 1 d . U . . .
H48 H 0.259843 0.640907 0.474642 0.048 Uiso 1 1 calc R U . . .
C49 C 0.4381(19) 0.342(2) 0.9307(9) 0.046(7) Uani 1 1 d . U . . .
H49 H 0.472019 0.278939 0.924340 0.055 Uiso 1 1 calc R U . . .
C50 C 0.6956(17) 0.3425(18) 0.6855(9) 0.041(6) Uani 1 1 d . U . . .
H50 H 0.692237 0.370298 0.655509 0.049 Uiso 1 1 calc R U . . .
C55 C -0.0939(17) 1.0473(18) 0.6402(8) 0.039(6) Uani 1 1 d . U . . .
H55 H -0.092943 1.102232 0.630852 0.047 Uiso 1 1 calc R U . . .
C56 C 0.6195(18) 0.0927(19) 0.8861(9) 0.044(6) Uani 1 1 d . U . . .
H56 H 0.669967 0.073996 0.902889 0.053 Uiso 1 1 calc R U . . .
C57 C -0.0166(17) 0.5628(18) 0.9066(8) 0.036(6) Uani 1 1 d . U . . .
H57A H 0.040231 0.560629 0.893643 0.043 Uiso 1 1 calc R U . . .
H57B H -0.013597 0.503245 0.907718 0.043 Uiso 1 1 calc R U . . .
C58 C 0.560(2) 0.346(2) 0.5994(10) 0.052(7) Uani 1 1 d . U . . .
H58 H 0.604657 0.345797 0.617842 0.063 Uiso 1 1 calc R U . . .
C59 C 0.7157(18) 0.201(2) 0.7296(9) 0.044(7) Uani 1 1 d . U . . .
H59 H 0.724278 0.139737 0.727925 0.053 Uiso 1 1 calc R U . . .
C60 C -0.087(2) 0.237(2) 0.9820(10) 0.052(3) Uani 1 1 d . U . . .
H60A H -0.123189 0.229116 1.007288 0.063 Uiso 1 1 calc R U . . .
H60B H -0.024618 0.213831 0.990589 0.063 Uiso 1 1 calc R U . . .
C61 C 0.2641(18) 0.5341(18) 0.4478(8) 0.041(6) Uani 1 1 d . U . . .
H61A H 0.288126 0.548437 0.419689 0.049 Uiso 1 1 calc R U . . .
H61B H 0.314090 0.487837 0.464399 0.049 Uiso 1 1 calc R U . . .
C62 C -0.161(2) 1.0338(19) 0.6305(9) 0.046(7) Uani 1 1 d . U . . .
H62 H -0.208363 1.079512 0.614558 0.055 Uiso 1 1 calc R U . . .
C66 C 0.535(2) 0.268(2) 0.5450(9) 0.052(7) Uani 1 1 d . U . . .
H66 H 0.563855 0.216040 0.528024 0.063 Uiso 1 1 calc R U . . .
C69 C -0.214(2) 0.363(2) 0.9526(10) 0.053(3) Uani 1 1 d . U . . .
H69A H -0.242473 0.427851 0.943986 0.064 Uiso 1 1 calc R U . . .
H69B H -0.249614 0.350631 0.976750 0.064 Uiso 1 1 calc R U . . .
C70 C 0.584(2) 0.037(2) 0.8818(11) 0.065(9) Uani 1 1 d . U . . .
H70 H 0.609140 -0.020883 0.896663 0.079 Uiso 1 1 calc R U . . .
C76 C 0.4835(19) 0.337(2) 0.6284(9) 0.047(7) Uani 1 1 d . U . . .
H76A H 0.455515 0.385300 0.646847 0.056 Uiso 1 1 calc R U . . .
H76B H 0.507288 0.279780 0.646682 0.056 Uiso 1 1 calc R U . . .
C77 C -0.090(2) 0.184(2) 0.9464(10) 0.052(3) Uani 1 1 d . U . . .
H77 H -0.068514 0.119743 0.956972 0.062 Uiso 1 1 calc R U . . .
C130 C -0.210(2) 0.314(2) 0.9158(10) 0.053(3) Uani 1 1 d . U . . .
H130 H -0.272524 0.339788 0.905858 0.063 Uiso 1 1 calc R U . . .
C170 C -0.185(2) 0.222(2) 0.9310(10) 0.053(3) Uani 1 1 d . U . . .
H17A H -0.187161 0.189944 0.907684 0.064 Uiso 1 1 calc R U . . .
H17B H -0.226253 0.217366 0.954550 0.064 Uiso 1 1 calc R U . . .
C6 C 0.3069(16) 0.7131(16) 0.5727(7) 0.030(5) Uani 1 1 d . U . . .
H6A H 0.261172 0.696441 0.565239 0.037 Uiso 1 1 calc R U . . .
H6B H 0.366357 0.666229 0.565183 0.037 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au01 Au02 2.7054(12) . ?
Au01 Au03 3.0195(12) . ?
Au01 Au04 2.7929(12) . ?
Au01 Au05 2.8686(12) . ?
Au01 Au06 2.9354(11) . ?
Au01 Au07 2.9643(12) . ?
Au01 Au08 2.8868(12) . ?
Au01 Au09 2.9601(12) . ?
Au01 Au0A 2.7467(13) . ?
Au01 Au0B 3.1162(12) . ?
Au01 Au0C 2.8678(12) . ?
Au01 Au0E 2.7558(12) . ?
Au02 Au04 2.6847(12) . ?
Au02 Au07 2.9914(12) . ?
Au02 Au0B 2.9201(12) . ?
Au02 Au0C 2.9975(12) . ?
Au02 S0L 2.366(5) . ?
Au03 Au07 2.7444(12) . ?
Au03 Au0A 2.7494(12) . ?
Au03 Au0C 2.8021(12) . ?
Au03 Au0E 2.8069(12) . ?
Au03 Cd0J 2.8423(17) . ?
Au03 P0U 2.306(5) . ?
Au04 Au06 2.9492(13) . ?
Au04 Au09 2.9019(12) . ?
Au04 Au0B 2.7642(11) . ?
Au04 Au0D 3.2932(12) . ?
Au04 S0S 2.358(5) . ?
Au05 Au07 3.1866(12) . ?
Au05 Au08 2.6749(12) . ?
Au05 Au0B 2.7206(12) . ?
Au05 Au0E 2.9876(13) . ?
Au05 Au0G 2.8494(13) . ?
Au05 Cd0I 2.8255(17) . ?
Au05 S0M 2.397(5) . ?
Au06 Au08 3.1156(12) . ?
Au06 Au09 2.6609(11) . ?
Au06 Au0A 2.9236(12) . ?
Au06 Au0D 2.8334(12) . ?
Au06 Cd0H 2.7409(16) . ?
Au06 S0K 2.376(5) . ?
Au07 Au0C 2.6524(12) . ?
Au07 Au0F 2.9097(12) . ?
Au07 Cd0J 2.9008(17) . ?
Au07 S0M 2.352(5) . ?
Au08 Au0B 2.7557(12) . ?
Au08 Au0E 2.9537(12) . ?
Au08 Cd0I 2.8145(18) . ?
Au08 S0K 2.369(5) . ?
Au09 Au0A 3.0050(12) . ?
Au09 Au0C 3.2151(12) . ?
Au09 Au0D 2.7523(12) . ?
Au09 Cd0H 2.9333(17) . ?
Au09 S0N 2.360(5) . ?
Au0A Au0E 2.7098(12) . ?
Au0A Cd0H 3.3795(16) . ?
Au0A S00O 2.368(6) . ?
Au0B Cd0I 2.9918(17) . ?
Au0B P0R 2.305(6) . ?
Au0C Cd0J 2.7999(17) . ?
Au0C S0N 2.368(5) . ?
Au0D Cd0H 2.8468(17) . ?
Au0D S0S 2.449(5) . ?
Au0D P00W 2.284(6) . ?
Au0E S0Q 2.361(5) . ?
Au0F S0L 2.325(5) . ?
Au0F S00T 2.330(5) . ?
Au0G Cd0I 3.3253(19) . ?
Au0G S0Q 2.297(6) . ?
Au0G S00V 2.311(6) . ?
Cd0H S00O 2.575(6) . ?
Cd0H Cl0P 2.452(6) . ?
Cd0H N00Z 2.400(18) . ?
Cd0I S00V 2.692(6) . ?
Cd0I Cl0Y 2.432(6) . ?
Cd0I N011 2.510(19) . ?
Cd0J S00T 2.592(6) . ?
Cd0J Cl0X 2.469(6) . ?
Cd0J N014 2.433(18) . ?
S0K C01A 1.84(2) . ?
S0L C01Y 1.87(2) . ?
S0M C013 1.85(2) . ?
S0N C03V 1.80(2) . ?
S00O C01Q 1.80(2) . ?
S0Q C01K 1.87(2) . ?
P0R C02G 1.83(3) . ?
P0R C039 1.85(2) . ?
P0R C044 1.81(2) . ?
S0S C02D 1.85(3) . ?
S00T C025 1.88(2) . ?
P0U C01W 1.864(19) . ?
P0U C03L 1.81(2) . ?
P0U C03P 1.84(2) . ?
S00V C01D 1.84(3) . ?
P00W C3 1.85(2) . ?
P00W C1 1.77(2) . ?
P00W C024 1.83(2) . ?
N00Z C3 1.30(3) . ?
N00Z C01J 1.36(3) . ?
N011 C039 1.38(3) . ?
N011 C03M 1.28(3) . ?
C3 C4 1.43(3) . ?
C013 C015 1.51(3) . ?
C013 C01F 1.53(3) . ?
C013 C02S 1.47(3) . ?
N014 C01W 1.34(3) . ?
N014 C02A 1.29(3) . ?
C015 H01A 0.9900 . ?
C015 H01B 0.9900 . ?
C015 C01E 1.50(3) . ?
C4 H4 0.9500 . ?
C4 C01R 1.37(3) . ?
C2 H2 0.9500 . ?
C2 C1 1.44(3) . ?
C2 C01M 1.34(4) . ?
C1 C027 1.40(3) . ?
C01A C01P 1.52(4) . ?
C01A C022 1.52(3) . ?
C01A C03Q 1.57(3) . ?
C01B H01C 0.9900 . ?
C01B H01D 0.9900 . ?
C01B C01K 1.58(3) . ?
C01B C04V 1.54(3) . ?
C01D C01S 1.51(4) . ?
C01D C023 1.50(4) . ?
C01D C03I 1.56(4) . ?
C01E H01E 1.0000 . ?
C01E C021 1.50(3) . ?
C01E C03S 1.56(3) . ?
C01F H01F 0.9900 . ?
C01F H01G 0.9900 . ?
C01F C02I 1.51(3) . ?
C01G H01H 0.9900 . ?
C01G H01I 0.9900 . ?
C01G C01Q 1.57(3) . ?
C01G C02P 1.49(3) . ?
C5 H5 0.9500 . ?
C5 C024 1.42(3) . ?
C5 C03D 1.37(3) . ?
C01J H01J 0.9500 . ?
C01J C020 1.34(3) . ?
C01K C029 1.54(3) . ?
C01K C57 1.48(3) . ?
C01L H01K 0.9900 . ?
C01L H01L 0.9900 . ?
C01L C02D 1.57(3) . ?
C01L C50 1.49(3) . ?
C01M H01M 0.9500 . ?
C01M C02B 1.37(4) . ?
C01N H01N 0.9500 . ?
C01N C02G 1.37(3) . ?
C01N C03X 1.40(3) . ?
C01O H01O 0.9500 . ?
C01O C01V 1.41(3) . ?
C01O C02A 1.38(3) . ?
C01P H01P 0.9900 . ?
C01P H01Q 0.9900 . ?
C01P C49 1.50(3) . ?
C01Q C02Y 1.59(3) . ?
C01Q C035 1.54(3) . ?
C01R H01R 0.9500 . ?
C01R C020 1.40(3) . ?
C01S H01S 0.9900 . ?
C01S H01T 0.9900 . ?
C01S C77 1.58(4) . ?
C01T H01U 0.9900 . ?
C01T H01V 0.9900 . ?
C01T C025 1.51(3) . ?
C01T C48 1.52(3) . ?
C01V H01W 0.9500 . ?
C01V C02N 1.36(3) . ?
C01W C02N 1.37(3) . ?
C01X H01X 0.9900 . ?
C01X H01Y 0.9900 . ?
C01X C03E 1.57(3) . ?
C01X C03V 1.55(3) . ?
C01Y C02T 1.48(3) . ?
C01Y C03N 1.55(3) . ?
C01Y C76 1.58(3) . ?
C01Z H01Z 0.9500 . ?
C01Z C02O 1.34(3) . ?
C01Z C049 1.39(3) . ?
C020 H020 0.9500 . ?
C021 H02A 0.9900 . ?
C021 H02B 0.9900 . ?
C021 C02J 1.48(3) . ?
C022 H02C 0.9900 . ?
C022 H02D 0.9900 . ?
C022 C028 1.58(3) . ?
C023 H02E 0.9900 . ?
C023 H02F 0.9900 . ?
C023 C02R 1.55(4) . ?
C024 C02X 1.36(3) . ?
C025 C02E 1.53(3) . ?
C025 C038 1.54(3) . ?
C026 H02G 0.9900 . ?
C026 H02H 0.9900 . ?
C026 C03V 1.54(3) . ?
C026 C04N 1.48(3) . ?
C027 H027 0.9500 . ?
C027 C036 1.38(3) . ?
C028 H028 1.0000 . ?
C028 C04C 1.53(4) . ?
C028 C44 1.43(4) . ?
C029 H02I 0.9900 . ?
C029 H02J 0.9900 . ?
C029 C042 1.51(3) . ?
C02A H02K 0.9500 . ?
C02B H02L 0.9500 . ?
C02B C036 1.34(4) . ?
C02C H02M 1.0000 . ?
C02C C02E 1.54(4) . ?
C02C C02W 1.51(3) . ?
C02C C03O 1.48(4) . ?
C02D C02V 1.49(3) . ?
C02D C03C 1.53(3) . ?
C02E H02N 0.9900 . ?
C02E H02O 0.9900 . ?
C02G C03B 1.38(3) . ?
C02H H02P 0.9500 . ?
C02H C02U 1.32(3) . ?
C02H C55 1.41(4) . ?
C02I H02Q 1.0000 . ?
C02I C03S 1.49(3) . ?
C02I C47 1.55(4) . ?
C02J H02R 1.0000 . ?
C02J C02S 1.60(3) . ?
C02J C47 1.53(3) . ?
C02K H02S 0.9500 . ?
C02K C03P 1.39(3) . ?
C02K C049 1.39(3) . ?
C02L H02T 0.9500 . ?
C02L C03D 1.41(3) . ?
C02L C03Y 1.32(3) . ?
C02N H02U 0.9500 . ?
C02O H02V 0.9500 . ?
C02O C03A 1.40(3) . ?
C02P H02W 1.0000 . ?
C02P C037 1.58(3) . ?
C02P C03R 1.52(3) . ?
C02Q H02X 0.9900 . ?
C02Q H02Y 0.9900 . ?
C02Q C02Z 1.48(3) . ?
C02Q C031 1.59(4) . ?
C02R H02Z 1.0000 . ?
C02R C60 1.54(4) . ?
C02R C69 1.45(4) . ?
C02S H02 0.9900 . ?
C02S H 0.9900 . ?
C02T H1 0.9900 . ?
C02T HA 0.9900 . ?
C02T C66 1.54(4) . ?
C02U H3 0.9500 . ?
C02U C03L 1.44(3) . ?
C02V H6 0.9900 . ?
C02V HB 0.9900 . ?
C02V C03K 1.51(3) . ?
C02W H7 0.9900 . ?
C02W HC 0.9900 . ?
C02W C48 1.55(3) . ?
C02X H8 0.9500 . ?
C02X C03Y 1.45(3) . ?
C02Y H9 0.9900 . ?
C02Y HD 0.9900 . ?
C02Y C02Z 1.51(3) . ?
C02Z H10 1.0000 . ?
C02Z C037 1.54(3) . ?
C030 H03A 0.9900 . ?
C030 H03B 0.9900 . ?
C030 C03E 1.52(4) . ?
C030 C04N 1.53(4) . ?
C031 H031 1.0000 . ?
C031 C035 1.49(4) . ?
C031 C03R 1.50(4) . ?
C033 H033 1.0000 . ?
C033 C03Q 1.54(3) . ?
C033 C04C 1.51(3) . ?
C033 C04M 1.50(4) . ?
C035 H03C 0.9900 . ?
C035 H03D 0.9900 . ?
C036 H036 0.9500 . ?
C037 H03E 0.9900 . ?
C037 H03F 0.9900 . ?
C038 H03G 0.9900 . ?
C038 H03H 0.9900 . ?
C038 C45 1.54(3) . ?
C039 C045 1.32(3) . ?
C03A H03I 0.9500 . ?
C03A C03P 1.38(3) . ?
C03B H03J 0.9500 . ?
C03B C04Y 1.34(4) . ?
C03C H03K 0.9900 . ?
C03C H03L 0.9900 . ?
C03C C59 1.52(4) . ?
C03D H03M 0.9500 . ?
C03E H03N 1.0000 . ?
C03E C04J 1.58(4) . ?
C03F H03O 0.9500 . ?
C03F C045 1.32(3) . ?
C03F C43 1.43(4) . ?
C03G H03P 0.9900 . ?
C03G H03Q 0.9900 . ?
C03G C03K 1.52(3) . ?
C03G C50 1.53(3) . ?
C03I H03R 0.9900 . ?
C03I H03S 0.9900 . ?
C03I C130 1.49(4) . ?
C03J H03T 0.9500 . ?
C03J C03X 1.32(3) . ?
C03J C04Y 1.35(3) . ?
C03K H03U 1.0000 . ?
C03K C03Z 1.59(4) . ?
C03L C04E 1.34(3) . ?
C03M H03V 0.9500 . ?
C03M C43 1.41(3) . ?
C03N H03W 0.9900 . ?
C03N H03X 0.9900 . ?
C03N C046 1.59(3) . ?
C03O H03Y 0.9900 . ?
C03O HE 0.9900 . ?
C03O C45 1.49(4) . ?
C03Q H03Z 0.9900 . ?
C03Q HF 0.9900 . ?
C03R H03 0.9900 . ?
C03R HG 0.9900 . ?
C03S H11 0.9900 . ?
C03S HH 0.9900 . ?
C03T H12 0.9500 . ?
C03T C040 1.35(3) . ?
C03T C044 1.35(3) . ?
C03V C6 1.51(3) . ?
C03X H13 0.9500 . ?
C03Y H14 0.9500 . ?
C03Z H15 0.9900 . ?
C03Z HI 0.9900 . ?
C03Z C59 1.58(3) . ?
C040 H040 0.9500 . ?
C040 C56 1.46(4) . ?
C041 H04A 0.9900 . ?
C041 H04B 0.9900 . ?
C041 C046 1.46(4) . ?
C041 C58 1.51(4) . ?
C042 H042 1.0000 . ?
C042 C04A 1.48(3) . ?
C042 C05D 1.55(3) . ?
C044 C052 1.43(3) . ?
C045 H045 0.9500 . ?
C046 H046 1.0000 . ?
C046 C04K 1.52(3) . ?
C049 H049 0.9500 . ?
C04A H04C 0.9900 . ?
C04A H04D 0.9900 . ?
C04A C04F 1.52(3) . ?
C04B H04E 1.0000 . ?
C04B C04J 1.49(3) . ?
C04B C04R 1.47(4) . ?
C04B C6 1.53(3) . ?
C04C H04F 0.9900 . ?
C04C H04G 0.9900 . ?
C04E H04H 0.9500 . ?
C04E C62 1.41(3) . ?
C04F H04I 1.0000 . ?
C04F C39 1.52(3) . ?
C04F C57 1.56(3) . ?
C04J H04J 0.9900 . ?
C04J H04K 0.9900 . ?
C04K H04L 0.9900 . ?
C04K H04M 0.9900 . ?
C04K C66 1.54(4) . ?
C04L H04N 0.9900 . ?
C04L H04O 0.9900 . ?
C04L C50 1.51(4) . ?
C04L C59 1.46(4) . ?
C04M H04P 0.9900 . ?
C04M H04Q 0.9900 . ?
C04M C49 1.50(4) . ?
C04N H04R 1.0000 . ?
C04N C04R 1.56(4) . ?
C04P H04S 0.9900 . ?
C04P H04T 0.9900 . ?
C04P C58 1.49(4) . ?
C04P C66 1.56(4) . ?
C04R H04U 0.9900 . ?
C04R H04V 0.9900 . ?
C04V H04W 1.0000 . ?
C04V C05D 1.50(3) . ?
C04V C39 1.48(3) . ?
C04Y H04Y 0.9500 . ?
C052 H052 0.9500 . ?
C052 C70 1.37(4) . ?
C05D H05A 0.9900 . ?
C05D H05B 0.9900 . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C43 H43 0.9500 . ?
C44 H44A 0.9900 . ?
C44 H44B 0.9900 . ?
C44 C49 1.53(3) . ?
C45 H45 1.0000 . ?
C45 C61 1.50(3) . ?
C47 H47A 0.9900 . ?
C47 H47B 0.9900 . ?
C48 H48 1.0000 . ?
C48 C61 1.53(4) . ?
C49 H49 1.0000 . ?
C50 H50 1.0000 . ?
C55 H55 0.9500 . ?
C55 C62 1.33(3) . ?
C56 H56 0.9500 . ?
C56 C70 1.36(4) . ?
C57 H57A 0.9900 . ?
C57 H57B 0.9900 . ?
C58 H58 1.0000 . ?
C58 C76 1.56(4) . ?
C59 H59 1.0000 . ?
C60 H60A 0.9900 . ?
C60 H60B 0.9900 . ?
C60 C77 1.56(4) . ?
C61 H61A 0.9900 . ?
C61 H61B 0.9900 . ?
C62 H62 0.9500 . ?
C66 H66 1.0000 . ?
C69 H69A 0.9900 . ?
C69 H69B 0.9900 . ?
C69 C130 1.51(4) . ?
C70 H70 0.9500 . ?
C76 H76A 0.9900 . ?
C76 H76B 0.9900 . ?
C77 H77 1.0000 . ?
C77 C170 1.53(4) . ?
C130 H130 1.0000 . ?
C130 C170 1.46(4) . ?
C170 H17A 0.9900 . ?
C170 H17B 0.9900 . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Au02 Au01 Au03 111.43(4) . . ?
Au02 Au01 Au04 58.43(3) . . ?
Au02 Au01 Au05 85.75(3) . . ?
Au02 Au01 Au06 120.02(4) . . ?
Au02 Au01 Au07 63.49(3) . . ?
Au02 Au01 Au08 114.19(4) . . ?
Au02 Au01 Au09 90.76(3) . . ?
Au02 Au01 Au0A 147.23(4) . . ?
Au02 Au01 Au0B 59.72(3) . . ?
Au02 Au01 Au0C 65.00(3) . . ?
Au02 Au01 Au0E 145.51(4) . . ?
Au03 Au01 Au0B 145.34(4) . . ?
Au04 Au01 Au03 152.86(4) . . ?
Au04 Au01 Au05 109.34(4) . . ?
Au04 Au01 Au06 61.92(3) . . ?
Au04 Au01 Au07 121.91(4) . . ?
Au04 Au01 Au08 84.84(3) . . ?
Au04 Au01 Au09 60.50(3) . . ?
Au04 Au01 Au0B 55.46(3) . . ?
Au04 Au01 Au0C 98.20(4) . . ?
Au05 Au01 Au03 93.82(3) . . ?
Au05 Au01 Au06 120.08(4) . . ?
Au05 Au01 Au07 66.20(3) . . ?
Au05 Au01 Au08 55.39(3) . . ?
Au05 Au01 Au09 169.35(4) . . ?
Au05 Au01 Au0B 53.88(3) . . ?
Au06 Au01 Au03 118.54(4) . . ?
Au06 Au01 Au07 172.13(4) . . ?
Au06 Au01 Au09 53.66(3) . . ?
Au06 Au01 Au0B 91.49(3) . . ?
Au07 Au01 Au03 54.59(3) . . ?
Au07 Au01 Au0B 96.25(3) . . ?
Au08 Au01 Au03 120.87(4) . . ?
Au08 Au01 Au06 64.70(3) . . ?
Au08 Au01 Au07 121.29(4) . . ?
Au08 Au01 Au09 117.71(4) . . ?
Au08 Au01 Au0B 54.49(3) . . ?
Au09 Au01 Au03 96.82(3) . . ?
Au09 Au01 Au07 120.93(4) . . ?
Au09 Au01 Au0B 115.83(3) . . ?
Au0A Au01 Au03 56.72(3) . . ?
Au0A Au01 Au04 116.32(4) . . ?
Au0A Au01 Au05 123.13(4) . . ?
Au0A Au01 Au06 61.83(3) . . ?
Au0A Au01 Au07 111.16(4) . . ?
Au0A Au01 Au08 96.38(4) . . ?
Au0A Au01 Au09 63.42(3) . . ?
Au0A Au01 Au0B 148.35(4) . . ?
Au0A Au01 Au0C 85.47(3) . . ?
Au0A Au01 Au0E 59.01(3) . . ?
Au0C Au01 Au03 56.77(3) . . ?
Au0C Au01 Au05 120.06(4) . . ?
Au0C Au01 Au06 119.86(4) . . ?
Au0C Au01 Au07 54.07(3) . . ?
Au0C Au01 Au08 175.33(4) . . ?
Au0C Au01 Au09 66.94(3) . . ?
Au0C Au01 Au0B 124.59(4) . . ?
Au0E Au01 Au03 57.94(3) . . ?
Au0E Au01 Au04 145.31(4) . . ?
Au0E Au01 Au05 64.13(3) . . ?
Au0E Au01 Au06 90.89(3) . . ?
Au0E Au01 Au07 87.95(3) . . ?
Au0E Au01 Au08 63.08(3) . . ?
Au0E Au01 Au09 121.80(4) . . ?
Au0E Au01 Au0B 108.50(3) . . ?
Au0E Au01 Au0C 114.71(4) . . ?
Au01 Au02 Au07 62.47(3) . . ?
Au01 Au02 Au0B 67.15(3) . . ?
Au01 Au02 Au0C 60.12(3) . . ?
Au04 Au02 Au01 62.42(3) . . ?
Au04 Au02 Au07 124.88(4) . . ?
Au04 Au02 Au0B 58.92(3) . . ?
Au04 Au02 Au0C 97.56(4) . . ?
Au07 Au02 Au0C 52.58(3) . . ?
Au0B Au02 Au07 100.00(3) . . ?
Au0B Au02 Au0C 127.15(4) . . ?
S0L Au02 Au01 151.41(13) . . ?
S0L Au02 Au04 144.06(13) . . ?
S0L Au02 Au07 89.98(13) . . ?
S0L Au02 Au0B 129.71(13) . . ?
S0L Au02 Au0C 97.90(12) . . ?
Au07 Au03 Au01 61.68(3) . . ?
Au07 Au03 Au0A 118.15(4) . . ?
Au07 Au03 Au0C 57.13(3) . . ?
Au07 Au03 Au0E 91.44(4) . . ?
Au07 Au03 Cd0J 62.53(4) . . ?
Au0A Au03 Au01 56.63(3) . . ?
Au0A Au03 Au0C 86.71(4) . . ?
Au0A Au03 Au0E 58.37(3) . . ?
Au0A Au03 Cd0J 140.19(5) . . ?
Au0C Au03 Au01 58.88(3) . . ?
Au0C Au03 Au0E 115.20(4) . . ?
Au0C Au03 Cd0J 59.47(4) . . ?
Au0E Au03 Au01 56.31(3) . . ?
Au0E Au03 Cd0J 152.53(5) . . ?
Cd0J Au03 Au01 111.89(5) . . ?
P0U Au03 Au01 162.14(14) . . ?
P0U Au03 Au07 128.99(14) . . ?
P0U Au03 Au0A 111.82(14) . . ?
P0U Au03 Au0C 137.88(14) . . ?
P0U Au03 Au0E 106.57(14) . . ?
P0U Au03 Cd0J 85.71(14) . . ?
Au01 Au04 Au06 61.42(3) . . ?
Au01 Au04 Au09 62.60(3) . . ?
Au01 Au04 Au0D 105.66(4) . . ?
Au02 Au04 Au01 59.15(3) . . ?
Au02 Au04 Au06 120.24(4) . . ?
Au02 Au04 Au09 92.44(3) . . ?
Au02 Au04 Au0B 64.79(3) . . ?
Au02 Au04 Au0D 142.20(4) . . ?
Au06 Au04 Au0D 53.64(3) . . ?
Au09 Au04 Au06 54.09(3) . . ?
Au09 Au04 Au0D 52.29(3) . . ?
Au0B Au04 Au01 68.21(3) . . ?
Au0B Au04 Au06 98.70(3) . . ?
Au0B Au04 Au09 130.65(4) . . ?
Au0B Au04 Au0D 146.51(4) . . ?
S0S Au04 Au01 145.97(14) . . ?
S0S Au04 Au02 154.72(14) . . ?
S0S Au04 Au06 84.59(14) . . ?
S0S Au04 Au09 99.71(13) . . ?
S0S Au04 Au0B 119.65(13) . . ?
S0S Au04 Au0D 47.93(12) . . ?
Au01 Au05 Au07 58.34(3) . . ?
Au01 Au05 Au0E 56.10(3) . . ?
Au08 Au05 Au01 62.65(3) . . ?
Au08 Au05 Au07 120.69(4) . . ?
Au08 Au05 Au0B 61.42(3) . . ?
Au08 Au05 Au0E 62.60(3) . . ?
Au08 Au05 Au0G 89.28(4) . . ?
Au08 Au05 Cd0I 61.48(4) . . ?
Au0B Au05 Au01 67.71(3) . . ?
Au0B Au05 Au07 99.81(4) . . ?
Au0B Au05 Au0E 113.29(4) . . ?
Au0B Au05 Au0G 135.69(4) . . ?
Au0B Au05 Cd0I 65.26(4) . . ?
Au0E Au05 Au07 80.07(3) . . ?
Au0G Au05 Au01 129.71(4) . . ?
Au0G Au05 Au07 124.27(4) . . ?
Au0G Au05 Au0E 74.25(3) . . ?
Cd0I Au05 Au01 118.80(5) . . ?
Cd0I Au05 Au07 162.61(5) . . ?
Cd0I Au05 Au0E 113.32(5) . . ?
Cd0I Au05 Au0G 71.74(4) . . ?
S0M Au05 Au01 105.38(13) . . ?
S0M Au05 Au07 47.25(13) . . ?
S0M Au05 Au08 164.32(13) . . ?
S0M Au05 Au0B 125.56(13) . . ?
S0M Au05 Au0E 102.70(13) . . ?
S0M Au05 Au0G 91.80(13) . . ?
S0M Au05 Cd0I 133.43(14) . . ?
Au01 Au06 Au04 56.67(3) . . ?
Au01 Au06 Au08 56.89(3) . . ?
Au04 Au06 Au08 78.32(3) . . ?
Au09 Au06 Au01 63.64(3) . . ?
Au09 Au06 Au04 62.05(3) . . ?
Au09 Au06 Au08 119.86(4) . . ?
Au09 Au06 Au0A 64.91(3) . . ?
Au09 Au06 Au0D 60.03(3) . . ?
Au09 Au06 Cd0H 65.76(4) . . ?
Au0A Au06 Au01 55.91(3) . . ?
Au0A Au06 Au04 106.51(3) . . ?
Au0A Au06 Au08 88.06(3) . . ?
Au0D Au06 Au01 114.75(4) . . ?
Au0D Au06 Au04 69.40(3) . . ?
Au0D Au06 Au08 142.50(4) . . ?
Au0D Au06 Au0A 118.61(4) . . ?
Cd0H Au06 Au01 118.97(4) . . ?
Cd0H Au06 Au04 120.74(4) . . ?
Cd0H Au06 Au08 156.06(5) . . ?
Cd0H Au06 Au0A 73.18(4) . . ?
Cd0H Au06 Au0D 61.40(4) . . ?
S0K Au06 Au01 102.55(12) . . ?
S0K Au06 Au04 118.72(14) . . ?
S0K Au06 Au08 48.87(12) . . ?
S0K Au06 Au09 163.90(12) . . ?
S0K Au06 Au0A 100.96(13) . . ?
S0K Au06 Au0D 136.06(12) . . ?
S0K Au06 Cd0H 119.30(14) . . ?
Au01 Au07 Au02 54.03(3) . . ?
Au01 Au07 Au05 55.46(3) . . ?
Au02 Au07 Au05 75.71(3) . . ?
Au03 Au07 Au01 63.73(3) . . ?
Au03 Au07 Au02 111.15(4) . . ?
Au03 Au07 Au05 92.67(3) . . ?
Au03 Au07 Au0F 128.33(4) . . ?
Au03 Au07 Cd0J 60.39(4) . . ?
Au0C Au07 Au01 61.11(3) . . ?
Au0C Au07 Au02 63.83(3) . . ?
Au0C Au07 Au03 62.53(3) . . ?
Au0C Au07 Au05 116.36(4) . . ?
Au0C Au07 Au0F 76.83(3) . . ?
Au0C Au07 Cd0J 60.36(4) . . ?
Au0F Au07 Au01 122.45(4) . . ?
Au0F Au07 Au02 73.42(3) . . ?
Au0F Au07 Au05 135.36(4) . . ?
Cd0J Au07 Au01 111.83(4) . . ?
Cd0J Au07 Au02 119.28(5) . . ?
Cd0J Au07 Au05 151.94(5) . . ?
Cd0J Au07 Au0F 72.59(4) . . ?
S0M Au07 Au01 103.70(13) . . ?
S0M Au07 Au02 107.73(13) . . ?
S0M Au07 Au03 112.91(14) . . ?
S0M Au07 Au05 48.46(13) . . ?
S0M Au07 Au0C 164.80(13) . . ?
S0M Au07 Au0F 113.95(14) . . ?
S0M Au07 Cd0J 131.76(13) . . ?
Au01 Au08 Au06 58.41(3) . . ?
Au01 Au08 Au0E 56.29(3) . . ?
Au05 Au08 Au01 61.96(3) . . ?
Au05 Au08 Au06 120.36(4) . . ?
Au05 Au08 Au0B 60.11(3) . . ?
Au05 Au08 Au0E 63.89(3) . . ?
Au05 Au08 Cd0I 61.90(4) . . ?
Au0B Au08 Au01 67.00(3) . . ?
Au0B Au08 Au06 95.02(3) . . ?
Au0B Au08 Au0E 113.29(4) . . ?
Au0B Au08 Cd0I 64.96(4) . . ?
Au0E Au08 Au06 83.86(3) . . ?
Cd0I Au08 Au01 118.55(4) . . ?
Cd0I Au08 Au06 156.42(5) . . ?
Cd0I Au08 Au0E 114.70(5) . . ?
S0K Au08 Au01 104.16(12) . . ?
S0K Au08 Au05 158.59(13) . . ?
S0K Au08 Au06 49.05(12) . . ?
S0K Au08 Au0B 132.32(13) . . ?
S0K Au08 Au0E 95.03(13) . . ?
S0K Au08 Cd0I 136.48(13) . . ?
Au01 Au09 Au0A 54.83(3) . . ?
Au01 Au09 Au0C 55.16(3) . . ?
Au04 Au09 Au01 56.90(3) . . ?
Au04 Au09 Au0A 105.62(3) . . ?
Au04 Au09 Au0C 88.62(3) . . ?
Au04 Au09 Cd0H 115.95(4) . . ?
Au06 Au09 Au01 62.70(3) . . ?
Au06 Au09 Au04 63.86(3) . . ?
Au06 Au09 Au0A 61.77(3) . . ?
Au06 Au09 Au0C 117.14(4) . . ?
Au06 Au09 Au0D 63.10(3) . . ?
Au06 Au09 Cd0H 58.43(4) . . ?
Au0A Au09 Au0C 75.49(3) . . ?
Au0D Au09 Au01 116.51(4) . . ?
Au0D Au09 Au04 71.19(3) . . ?
Au0D Au09 Au0A 118.55(4) . . ?
Au0D Au09 Au0C 157.58(4) . . ?
Au0D Au09 Cd0H 59.99(4) . . ?
Cd0H Au09 Au01 112.18(4) . . ?
Cd0H Au09 Au0A 69.36(4) . . ?
Cd0H Au09 Au0C 141.21(4) . . ?
S0N Au09 Au01 100.23(13) . . ?
S0N Au09 Au04 103.70(13) . . ?
S0N Au09 Au06 162.29(14) . . ?
S0N Au09 Au0A 113.58(13) . . ?
S0N Au09 Au0C 47.26(13) . . ?
S0N Au09 Au0D 127.04(13) . . ?
S0N Au09 Cd0H 138.07(13) . . ?
Au01 Au0A Au03 66.65(3) . . ?
Au01 Au0A Au06 62.26(3) . . ?
Au01 Au0A Au09 61.75(3) . . ?
Au01 Au0A Cd0H 105.49(4) . . ?
Au03 Au0A Au06 128.91(4) . . ?
Au03 Au0A Au09 101.92(4) . . ?
Au03 Au0A Cd0H 152.91(4) . . ?
Au06 Au0A Au09 53.32(3) . . ?
Au06 Au0A Cd0H 50.92(3) . . ?
Au09 Au0A Cd0H 54.32(3) . . ?
Au0E Au0A Au01 60.67(3) . . ?
Au0E Au0A Au03 61.88(3) . . ?
Au0E Au0A Au06 92.07(4) . . ?
Au0E Au0A Au09 121.79(4) . . ?
Au0E Au0A Cd0H 138.87(4) . . ?
S00O Au0A Au01 150.30(14) . . ?
S00O Au0A Au03 126.51(14) . . ?
S00O Au0A Au06 99.45(14) . . ?
S00O Au0A Au09 88.62(14) . . ?
S00O Au0A Au0E 147.78(14) . . ?
S00O Au0A Cd0H 49.50(14) . . ?
Au02 Au0B Au01 53.13(3) . . ?
Au02 Au0B Cd0I 142.48(5) . . ?
Au04 Au0B Au01 56.33(3) . . ?
Au04 Au0B Au02 56.29(3) . . ?
Au04 Au0B Cd0I 144.65(5) . . ?
Au05 Au0B Au01 58.40(3) . . ?
Au05 Au0B Au02 84.47(3) . . ?
Au05 Au0B Au04 114.73(4) . . ?
Au05 Au0B Au08 58.47(3) . . ?
Au05 Au0B Cd0I 59.06(4) . . ?
Au08 Au0B Au01 58.51(3) . . ?
Au08 Au0B Au02 111.63(4) . . ?
Au08 Au0B Au04 87.93(3) . . ?
Au08 Au0B Cd0I 58.47(4) . . ?
Cd0I Au0B Au01 106.71(4) . . ?
P0R Au0B Au01 163.01(14) . . ?
P0R Au0B Au02 111.56(14) . . ?
P0R Au0B Au04 110.52(14) . . ?
P0R Au0B Au05 133.03(14) . . ?
P0R Au0B Au08 136.24(14) . . ?
P0R Au0B Cd0I 90.14(14) . . ?
Au01 Au0C Au02 54.88(3) . . ?
Au01 Au0C Au09 57.90(3) . . ?
Au02 Au0C Au09 80.96(3) . . ?
Au03 Au0C Au01 64.34(3) . . ?
Au03 Au0C Au02 109.36(4) . . ?
Au03 Au0C Au09 95.78(3) . . ?
Au07 Au0C Au01 64.82(3) . . ?
Au07 Au0C Au02 63.59(3) . . ?
Au07 Au0C Au03 60.34(3) . . ?
Au07 Au0C Au09 122.63(4) . . ?
Au07 Au0C Cd0J 64.22(4) . . ?
Cd0J Au0C Au01 117.98(5) . . ?
Cd0J Au0C Au02 122.54(5) . . ?
Cd0J Au0C Au03 60.98(4) . . ?
Cd0J Au0C Au09 150.27(5) . . ?
S0N Au0C Au01 102.68(12) . . ?
S0N Au0C Au02 95.09(13) . . ?
S0N Au0C Au03 132.00(13) . . ?
S0N Au0C Au07 158.64(13) . . ?
S0N Au0C Au09 47.05(12) . . ?
S0N Au0C Cd0J 135.34(13) . . ?
Au06 Au0D Au04 56.96(3) . . ?
Au06 Au0D Cd0H 57.70(4) . . ?
Au09 Au0D Au04 56.52(3) . . ?
Au09 Au0D Au06 56.88(3) . . ?
Au09 Au0D Cd0H 63.16(4) . . ?
Cd0H Au0D Au04 107.14(4) . . ?
S0S Au0D Au04 45.61(13) . . ?
S0S Au0D Au06 85.53(13) . . ?
S0S Au0D Au09 101.62(13) . . ?
S0S Au0D Cd0H 143.04(13) . . ?
P00W Au0D Au04 161.64(15) . . ?
P00W Au0D Au06 139.29(15) . . ?
P00W Au0D Au09 120.42(14) . . ?
P00W Au0D Cd0H 84.06(15) . . ?
P00W Au0D S0S 129.79(19) . . ?
Au01 Au0E Au03 65.74(3) . . ?
Au01 Au0E Au05 59.77(3) . . ?
Au01 Au0E Au08 60.63(3) . . ?
Au03 Au0E Au05 95.80(3) . . ?
Au03 Au0E Au08 126.20(4) . . ?
Au08 Au0E Au05 53.51(3) . . ?
Au0A Au0E Au01 60.33(3) . . ?
Au0A Au0E Au03 59.76(3) . . ?
Au0A Au0E Au05 120.09(4) . . ?
Au0A Au0E Au08 95.63(4) . . ?
S0Q Au0E Au01 150.29(15) . . ?
S0Q Au0E Au03 122.42(14) . . ?
S0Q Au0E Au05 90.52(15) . . ?
S0Q Au0E Au08 102.95(14) . . ?
S0Q Au0E Au0A 149.37(15) . . ?
S0L Au0F Au07 92.83(13) . . ?
S0L Au0F S00T 176.1(2) . . ?
S00T Au0F Au07 91.02(14) . . ?
Au05 Au0G Cd0I 53.80(3) . . ?
S0Q Au0G Au05 95.41(14) . . ?
S0Q Au0G Cd0I 125.08(14) . . ?
S0Q Au0G S00V 175.4(2) . . ?
S00V Au0G Au05 86.79(15) . . ?
S00V Au0G Cd0I 53.46(15) . . ?
Au06 Cd0H Au09 55.81(4) . . ?
Au06 Cd0H Au0A 55.90(3) . . ?
Au06 Cd0H Au0D 60.90(4) . . ?
Au09 Cd0H Au0A 56.32(3) . . ?
Au0D Cd0H Au09 56.85(4) . . ?
Au0D Cd0H Au0A 105.01(5) . . ?
S00O Cd0H Au06 99.29(13) . . ?
S00O Cd0H Au09 86.42(13) . . ?
S00O Cd0H Au0A 44.35(13) . . ?
S00O Cd0H Au0D 143.25(14) . . ?
Cl0P Cd0H Au06 103.98(14) . . ?
Cl0P Cd0H Au09 156.02(14) . . ?
Cl0P Cd0H Au0A 126.38(14) . . ?
Cl0P Cd0H Au0D 103.61(14) . . ?
Cl0P Cd0H S00O 111.52(19) . . ?
N00Z Cd0H Au06 145.3(5) . . ?
N00Z Cd0H Au09 97.4(5) . . ?
N00Z Cd0H Au0A 131.0(5) . . ?
N00Z Cd0H Au0D 86.7(5) . . ?
N00Z Cd0H S00O 100.4(5) . . ?
N00Z Cd0H Cl0P 94.9(5) . . ?
Au05 Cd0I Au0B 55.68(4) . . ?
Au05 Cd0I Au0G 54.46(4) . . ?
Au08 Cd0I Au05 56.62(4) . . ?
Au08 Cd0I Au0B 56.57(4) . . ?
Au08 Cd0I Au0G 77.99(5) . . ?
Au0B Cd0I Au0G 109.39(5) . . ?
S00V Cd0I Au05 80.51(14) . . ?
S00V Cd0I Au08 121.39(15) . . ?
S00V Cd0I Au0B 129.01(14) . . ?
S00V Cd0I Au0G 43.61(14) . . ?
Cl0Y Cd0I Au05 152.3(2) . . ?
Cl0Y Cd0I Au08 99.35(19) . . ?
Cl0Y Cd0I Au0B 125.84(19) . . ?
Cl0Y Cd0I Au0G 111.1(2) . . ?
Cl0Y Cd0I S00V 105.1(2) . . ?
Cl0Y Cd0I N011 93.2(5) . . ?
N011 Cd0I Au05 113.5(4) . . ?
N011 Cd0I Au08 135.3(4) . . ?
N011 Cd0I Au0B 81.4(4) . . ?
N011 Cd0I Au0G 135.8(4) . . ?
N011 Cd0I S00V 95.7(4) . . ?
Au03 Cd0J Au07 57.08(4) . . ?
Au0C Cd0J Au03 59.55(4) . . ?
Au0C Cd0J Au07 55.42(4) . . ?
S00T Cd0J Au03 142.52(13) . . ?
S00T Cd0J Au07 86.19(12) . . ?
S00T Cd0J Au0C 107.70(13) . . ?
Cl0X Cd0J Au03 108.61(15) . . ?
Cl0X Cd0J Au07 161.79(15) . . ?
Cl0X Cd0J Au0C 108.73(16) . . ?
Cl0X Cd0J S00T 108.87(19) . . ?
N014 Cd0J Au03 84.8(4) . . ?
N014 Cd0J Au07 102.5(4) . . ?
N014 Cd0J Au0C 144.0(4) . . ?
N014 Cd0J S00T 97.4(4) . . ?
N014 Cd0J Cl0X 86.1(5) . . ?
Au08 S0K Au06 82.08(16) . . ?
C01A S0K Au06 106.2(8) . . ?
C01A S0K Au08 110.8(8) . . ?
Au0F S0L Au02 97.5(2) . . ?
C01Y S0L Au02 109.1(8) . . ?
C01Y S0L Au0F 104.6(8) . . ?
Au07 S0M Au05 84.30(17) . . ?
C013 S0M Au05 108.2(6) . . ?
C013 S0M Au07 113.8(7) . . ?
Au09 S0N Au0C 85.69(17) . . ?
C03V S0N Au09 112.4(8) . . ?
C03V S0N Au0C 109.3(7) . . ?
Au0A S00O Cd0H 86.15(18) . . ?
C01Q S00O Au0A 105.1(7) . . ?
C01Q S00O Cd0H 107.7(7) . . ?
Au0G S0Q Au0E 98.3(2) . . ?
C01K S0Q Au0E 110.0(7) . . ?
C01K S0Q Au0G 102.7(7) . . ?
C02G P0R Au0B 115.1(8) . . ?
C02G P0R C039 102.3(11) . . ?
C039 P0R Au0B 113.5(8) . . ?
C044 P0R Au0B 117.6(8) . . ?
C044 P0R C02G 103.7(11) . . ?
C044 P0R C039 102.7(11) . . ?
Au04 S0S Au0D 86.46(17) . . ?
C02D S0S Au04 111.6(8) . . ?
C02D S0S Au0D 111.2(8) . . ?
Au0F S00T Cd0J 88.51(17) . . ?
C025 S00T Au0F 102.5(7) . . ?
C025 S00T Cd0J 108.3(7) . . ?
C01W P0U Au03 113.3(7) . . ?
C03L P0U Au03 116.2(8) . . ?
C03L P0U C01W 103.6(9) . . ?
C03L P0U C03P 101.9(10) . . ?
C03P P0U Au03 117.1(7) . . ?
C03P P0U C01W 102.7(10) . . ?
Au0G S00V Cd0I 82.93(18) . . ?
C01D S00V Au0G 102.0(10) . . ?
C01D S00V Cd0I 122.1(10) . . ?
C3 P00W Au0D 115.3(7) . . ?
C1 P00W Au0D 113.2(8) . . ?
C1 P00W C3 103.2(11) . . ?
C1 P00W C024 105.3(11) . . ?
C024 P00W Au0D 115.3(7) . . ?
C024 P00W C3 103.2(10) . . ?
C3 N00Z Cd0H 121.7(16) . . ?
C3 N00Z C01J 118(2) . . ?
C01J N00Z Cd0H 119.5(15) . . ?
C039 N011 Cd0I 129.0(14) . . ?
C03M N011 Cd0I 108.6(17) . . ?
C03M N011 C039 121(2) . . ?
N00Z C3 P00W 117.9(17) . . ?
N00Z C3 C4 121(2) . . ?
C4 C3 P00W 121.1(18) . . ?
C015 C013 S0M 109.0(14) . . ?
C015 C013 C01F 109.8(19) . . ?
C01F C013 S0M 114.9(15) . . ?
C02S C013 S0M 106.2(15) . . ?
C02S C013 C015 109.1(16) . . ?
C02S C013 C01F 107.7(19) . . ?
C01W N014 Cd0J 122.5(13) . . ?
C02A N014 Cd0J 117.2(17) . . ?
C02A N014 C01W 120(2) . . ?
C013 C015 H01A 109.5 . . ?
C013 C015 H01B 109.5 . . ?
H01A C015 H01B 108.1 . . ?
C01E C015 C013 110.6(18) . . ?
C01E C015 H01A 109.5 . . ?
C01E C015 H01B 109.5 . . ?
C3 C4 H4 120.1 . . ?
C01R C4 C3 120(2) . . ?
C01R C4 H4 120.1 . . ?
C1 C2 H2 121.3 . . ?
C01M C2 H2 121.3 . . ?
C01M C2 C1 117(3) . . ?
C2 C1 P00W 118.3(19) . . ?
C027 C1 P00W 124.2(19) . . ?
C027 C1 C2 117(2) . . ?
C01P C01A S0K 115.6(17) . . ?
C01P C01A C03Q 108.4(19) . . ?
C022 C01A S0K 109.4(16) . . ?
C022 C01A C01P 110(2) . . ?
C022 C01A C03Q 108.0(19) . . ?
C03Q C01A S0K 105.3(16) . . ?
H01C C01B H01D 108.8 . . ?
C01K C01B H01C 110.7 . . ?
C01K C01B H01D 110.7 . . ?
C04V C01B H01C 110.7 . . ?
C04V C01B H01D 110.7 . . ?
C04V C01B C01K 105.4(17) . . ?
C01S C01D S00V 110(2) . . ?
C01S C01D C03I 110(2) . . ?
C023 C01D S00V 114.7(19) . . ?
C023 C01D C01S 108(2) . . ?
C023 C01D C03I 105(3) . . ?
C03I C01D S00V 109(2) . . ?
C015 C01E H01E 110.3 . . ?
C015 C01E C021 108(2) . . ?
C015 C01E C03S 108.0(18) . . ?
C021 C01E H01E 110.3 . . ?
C021 C01E C03S 110(2) . . ?
C03S C01E H01E 110.3 . . ?
C013 C01F H01F 108.8 . . ?
C013 C01F H01G 108.8 . . ?
H01F C01F H01G 107.7 . . ?
C02I C01F C013 114(2) . . ?
C02I C01F H01F 108.8 . . ?
C02I C01F H01G 108.8 . . ?
H01H C01G H01I 108.0 . . ?
C01Q C01G H01H 109.4 . . ?
C01Q C01G H01I 109.4 . . ?
C02P C01G H01H 109.4 . . ?
C02P C01G H01I 109.4 . . ?
C02P C01G C01Q 111(2) . . ?
C024 C5 H5 119.6 . . ?
C03D C5 H5 119.6 . . ?
C03D C5 C024 120.8(19) . . ?
N00Z C01J H01J 117.6 . . ?
C020 C01J N00Z 125(2) . . ?
C020 C01J H01J 117.6 . . ?
C01B C01K S0Q 103.6(14) . . ?
C029 C01K S0Q 108.2(15) . . ?
C029 C01K C01B 107.6(19) . . ?
C57 C01K S0Q 114.5(17) . . ?
C57 C01K C01B 113.3(19) . . ?
C57 C01K C029 109.4(19) . . ?
H01K C01L H01L 108.0 . . ?
C02D C01L H01K 109.3 . . ?
C02D C01L H01L 109.3 . . ?
C50 C01L H01K 109.3 . . ?
C50 C01L H01L 109.3 . . ?
C50 C01L C02D 112(2) . . ?
C2 C01M H01M 117.7 . . ?
C2 C01M C02B 125(3) . . ?
C02B C01M H01M 117.7 . . ?
C02G C01N H01N 120.8 . . ?
C02G C01N C03X 118(2) . . ?
C03X C01N H01N 120.8 . . ?
C01V C01O H01O 121.2 . . ?
C02A C01O H01O 121.2 . . ?
C02A C01O C01V 118(2) . . ?
C01A C01P H01P 109.4 . . ?
C01A C01P H01Q 109.4 . . ?
H01P C01P H01Q 108.0 . . ?
C49 C01P C01A 111(2) . . ?
C49 C01P H01P 109.4 . . ?
C49 C01P H01Q 109.4 . . ?
C01G C01Q S00O 115.1(15) . . ?
C01G C01Q C02Y 109.3(17) . . ?
C02Y C01Q S00O 109.9(14) . . ?
C035 C01Q S00O 110.6(15) . . ?
C035 C01Q C01G 106.5(18) . . ?
C035 C01Q C02Y 105.0(17) . . ?
C4 C01R H01R 121.0 . . ?
C4 C01R C020 118(2) . . ?
C020 C01R H01R 121.0 . . ?
C01D C01S H01S 109.2 . . ?
C01D C01S H01T 109.2 . . ?
C01D C01S C77 112(3) . . ?
H01S C01S H01T 107.9 . . ?
C77 C01S H01S 109.2 . . ?
C77 C01S H01T 109.2 . . ?
H01U C01T H01V 108.5 . . ?
C025 C01T H01U 110.2 . . ?
C025 C01T H01V 110.2 . . ?
C025 C01T C48 107.6(19) . . ?
C48 C01T H01U 110.2 . . ?
C48 C01T H01V 110.2 . . ?
C01O C01V H01W 120.5 . . ?
C02N C01V C01O 119(2) . . ?
C02N C01V H01W 120.5 . . ?
N014 C01W P0U 116.7(15) . . ?
N014 C01W C02N 122.0(19) . . ?
C02N C01W P0U 121.3(18) . . ?
H01X C01X H01Y 108.1 . . ?
C03E C01X H01X 109.6 . . ?
C03E C01X H01Y 109.6 . . ?
C03V C01X H01X 109.6 . . ?
C03V C01X H01Y 109.6 . . ?
C03V C01X C03E 110.3(18) . . ?
C02T C01Y S0L 107.2(16) . . ?
C02T C01Y C03N 112(2) . . ?
C02T C01Y C76 110(2) . . ?
C03N C01Y S0L 110.7(17) . . ?
C03N C01Y C76 109(2) . . ?
C76 C01Y S0L 107.3(17) . . ?
C02O C01Z H01Z 119.9 . . ?
C02O C01Z C049 120(2) . . ?
C049 C01Z H01Z 119.9 . . ?
C01J C020 C01R 118(2) . . ?
C01J C020 H020 121.0 . . ?
C01R C020 H020 121.0 . . ?
C01E C021 H02A 109.2 . . ?
C01E C021 H02B 109.2 . . ?
H02A C021 H02B 107.9 . . ?
C02J C021 C01E 111.9(19) . . ?
C02J C021 H02A 109.2 . . ?
C02J C021 H02B 109.2 . . ?
C01A C022 H02C 109.9 . . ?
C01A C022 H02D 109.9 . . ?
C01A C022 C028 109(2) . . ?
H02C C022 H02D 108.3 . . ?
C028 C022 H02C 109.9 . . ?
C028 C022 H02D 109.9 . . ?
C01D C023 H02E 109.4 . . ?
C01D C023 H02F 109.4 . . ?
C01D C023 C02R 111(2) . . ?
H02E C023 H02F 108.0 . . ?
C02R C023 H02E 109.4 . . ?
C02R C023 H02F 109.4 . . ?
C5 C024 P00W 116.0(15) . . ?
C02X C024 P00W 123.9(18) . . ?
C02X C024 C5 119(2) . . ?
C01T C025 S00T 113.1(15) . . ?
C01T C025 C02E 108.5(19) . . ?
C01T C025 C038 110.8(19) . . ?
C02E C025 S00T 106.4(16) . . ?
C02E C025 C038 110.2(19) . . ?
C038 C025 S00T 107.8(15) . . ?
H02G C026 H02H 107.8 . . ?
C03V C026 H02G 109.0 . . ?
C03V C026 H02H 109.0 . . ?
C04N C026 H02G 109.0 . . ?
C04N C026 H02H 109.0 . . ?
C04N C026 C03V 113(2) . . ?
C1 C027 H027 119.4 . . ?
C036 C027 C1 121(3) . . ?
C036 C027 H027 119.4 . . ?
C022 C028 H028 108.9 . . ?
C04C C028 C022 105(2) . . ?
C04C C028 H028 108.9 . . ?
C44 C028 C022 113(2) . . ?
C44 C028 H028 108.9 . . ?
C44 C028 C04C 112(2) . . ?
C01K C029 H02I 109.4 . . ?
C01K C029 H02J 109.4 . . ?
H02I C029 H02J 108.0 . . ?
C042 C029 C01K 111.0(19) . . ?
C042 C029 H02I 109.4 . . ?
C042 C029 H02J 109.4 . . ?
N014 C02A C01O 123(2) . . ?
N014 C02A H02K 118.5 . . ?
C01O C02A H02K 118.5 . . ?
C01M C02B H02L 120.6 . . ?
C036 C02B C01M 119(3) . . ?
C036 C02B H02L 120.6 . . ?
C02E C02C H02M 110.2 . . ?
C02W C02C H02M 110.2 . . ?
C02W C02C C02E 107(2) . . ?
C03O C02C H02M 110.2 . . ?
C03O C02C C02E 111(2) . . ?
C03O C02C C02W 108(2) . . ?
C01L C02D S0S 112.1(17) . . ?
C02V C02D S0S 109.8(17) . . ?
C02V C02D C01L 108.0(18) . . ?
C02V C02D C03C 111(2) . . ?
C03C C02D S0S 109.6(16) . . ?
C03C C02D C01L 106.8(19) . . ?
C025 C02E C02C 110(2) . . ?
C025 C02E H02N 109.7 . . ?
C025 C02E H02O 109.7 . . ?
C02C C02E H02N 109.7 . . ?
C02C C02E H02O 109.7 . . ?
H02N C02E H02O 108.2 . . ?
C01N C02G P0R 118.6(19) . . ?
C01N C02G C03B 119(2) . . ?
C03B C02G P0R 122.5(18) . . ?
C02U C02H H02P 121.2 . . ?
C02U C02H C55 118(2) . . ?
C55 C02H H02P 121.2 . . ?
C01F C02I H02Q 111.2 . . ?
C01F C02I C47 105(2) . . ?
C03S C02I C01F 107(2) . . ?
C03S C02I H02Q 111.2 . . ?
C03S C02I C47 110.2(19) . . ?
C47 C02I H02Q 111.2 . . ?
C021 C02J H02R 110.3 . . ?
C021 C02J C02S 106(2) . . ?
C021 C02J C47 113(2) . . ?
C02S C02J H02R 110.3 . . ?
C47 C02J H02R 110.3 . . ?
C47 C02J C02S 107.1(18) . . ?
C03P C02K H02S 120.8 . . ?
C03P C02K C049 118(2) . . ?
C049 C02K H02S 120.8 . . ?
C03D C02L H02T 117.8 . . ?
C03Y C02L H02T 117.8 . . ?
C03Y C02L C03D 124(2) . . ?
C01V C02N C01W 119(2) . . ?
C01V C02N H02U 120.5 . . ?
C01W C02N H02U 120.5 . . ?
C01Z C02O H02V 120.1 . . ?
C01Z C02O C03A 120(2) . . ?
C03A C02O H02V 120.1 . . ?
C01G C02P H02W 110.1 . . ?
C01G C02P C037 111.3(19) . . ?
C01G C02P C03R 109(2) . . ?
C037 C02P H02W 110.1 . . ?
C03R C02P H02W 110.1 . . ?
C03R C02P C037 106(2) . . ?
H02X C02Q H02Y 108.2 . . ?
C02Z C02Q H02X 109.7 . . ?
C02Z C02Q H02Y 109.7 . . ?
C02Z C02Q C031 110(2) . . ?
C031 C02Q H02X 109.7 . . ?
C031 C02Q H02Y 109.7 . . ?
C023 C02R H02Z 109.6 . . ?
C60 C02R C023 108(3) . . ?
C60 C02R H02Z 109.6 . . ?
C69 C02R C023 113(3) . . ?
C69 C02R H02Z 109.6 . . ?
C69 C02R C60 107(2) . . ?
C013 C02S C02J 110.2(19) . . ?
C013 C02S H02 109.6 . . ?
C013 C02S H 109.6 . . ?
C02J C02S H02 109.6 . . ?
C02J C02S H 109.6 . . ?
H02 C02S H 108.1 . . ?
C01Y C02T H1 109.7 . . ?
C01Y C02T HA 109.7 . . ?
C01Y C02T C66 110(2) . . ?
H1 C02T HA 108.2 . . ?
C66 C02T H1 109.7 . . ?
C66 C02T HA 109.7 . . ?
C02H C02U H3 118.4 . . ?
C02H C02U C03L 123(2) . . ?
C03L C02U H3 118.4 . . ?
C02D C02V H6 109.3 . . ?
C02D C02V HB 109.3 . . ?
C02D C02V C03K 112(2) . . ?
H6 C02V HB 107.9 . . ?
C03K C02V H6 109.3 . . ?
C03K C02V HB 109.3 . . ?
C02C C02W H7 109.7 . . ?
C02C C02W HC 109.7 . . ?
C02C C02W C48 110(2) . . ?
H7 C02W HC 108.2 . . ?
C48 C02W H7 109.7 . . ?
C48 C02W HC 109.7 . . ?
C024 C02X H8 120.0 . . ?
C024 C02X C03Y 120(2) . . ?
C03Y C02X H8 120.0 . . ?
C01Q C02Y H9 109.3 . . ?
C01Q C02Y HD 109.3 . . ?
H9 C02Y HD 108.0 . . ?
C02Z C02Y C01Q 111.5(17) . . ?
C02Z C02Y H9 109.3 . . ?
C02Z C02Y HD 109.3 . . ?
C02Q C02Z C02Y 108(2) . . ?
C02Q C02Z H10 109.1 . . ?
C02Q C02Z C037 111(2) . . ?
C02Y C02Z H10 109.1 . . ?
C02Y C02Z C037 109.9(19) . . ?
C037 C02Z H10 109.1 . . ?
H03A C030 H03B 108.2 . . ?
C03E C030 H03A 109.7 . . ?
C03E C030 H03B 109.7 . . ?
C03E C030 C04N 110(2) . . ?
C04N C030 H03A 109.7 . . ?
C04N C030 H03B 109.7 . . ?
C02Q C031 H031 110.5 . . ?
C035 C031 C02Q 107(2) . . ?
C035 C031 H031 110.5 . . ?
C035 C031 C03R 110(2) . . ?
C03R C031 C02Q 109(2) . . ?
C03R C031 H031 110.5 . . ?
C03Q C033 H033 109.2 . . ?
C04C C033 H033 109.2 . . ?
C04C C033 C03Q 110(2) . . ?
C04M C033 H033 109.2 . . ?
C04M C033 C03Q 110(2) . . ?
C04M C033 C04C 108(2) . . ?
C01Q C035 H03C 108.9 . . ?
C01Q C035 H03D 108.9 . . ?
C031 C035 C01Q 113.5(19) . . ?
C031 C035 H03C 108.9 . . ?
C031 C035 H03D 108.9 . . ?
H03C C035 H03D 107.7 . . ?
C027 C036 H036 119.8 . . ?
C02B C036 C027 120(3) . . ?
C02B C036 H036 119.8 . . ?
C02P C037 H03E 109.8 . . ?
C02P C037 H03F 109.8 . . ?
C02Z C037 C02P 109.3(18) . . ?
C02Z C037 H03E 109.8 . . ?
C02Z C037 H03F 109.8 . . ?
H03E C037 H03F 108.3 . . ?
C025 C038 H03G 110.3 . . ?
C025 C038 H03H 110.3 . . ?
C025 C038 C45 107(2) . . ?
H03G C038 H03H 108.5 . . ?
C45 C038 H03G 110.3 . . ?
C45 C038 H03H 110.3 . . ?
N011 C039 P0R 113.2(17) . . ?
C045 C039 P0R 127(2) . . ?
C045 C039 N011 118(2) . . ?
C02O C03A H03I 119.6 . . ?
C03P C03A C02O 121(2) . . ?
C03P C03A H03I 119.6 . . ?
C02G C03B H03J 119.7 . . ?
C04Y C03B C02G 121(2) . . ?
C04Y C03B H03J 119.7 . . ?
C02D C03C H03K 109.3 . . ?
C02D C03C H03L 109.3 . . ?
H03K C03C H03L 107.9 . . ?
C59 C03C C02D 111.8(19) . . ?
C59 C03C H03K 109.3 . . ?
C59 C03C H03L 109.3 . . ?
C5 C03D C02L 117(2) . . ?
C5 C03D H03M 121.4 . . ?
C02L C03D H03M 121.4 . . ?
C01X C03E H03N 110.4 . . ?
C01X C03E C04J 106(2) . . ?
C030 C03E C01X 110(2) . . ?
C030 C03E H03N 110.4 . . ?
C030 C03E C04J 110(2) . . ?
C04J C03E H03N 110.4 . . ?
C045 C03F H03O 121.3 . . ?
C045 C03F C43 117(2) . . ?
C43 C03F H03O 121.3 . . ?
H03P C03G H03Q 108.0 . . ?
C03K C03G H03P 109.3 . . ?
C03K C03G H03Q 109.3 . . ?
C03K C03G C50 111(2) . . ?
C50 C03G H03P 109.3 . . ?
C50 C03G H03Q 109.3 . . ?
C01D C03I H03R 109.8 . . ?
C01D C03I H03S 109.8 . . ?
H03R C03I H03S 108.2 . . ?
C130 C03I C01D 109(2) . . ?
C130 C03I H03R 109.8 . . ?
C130 C03I H03S 109.8 . . ?
C03X C03J H03T 120.1 . . ?
C03X C03J C04Y 120(3) . . ?
C04Y C03J H03T 120.1 . . ?
C02V C03K C03G 111(2) . . ?
C02V C03K H03U 110.1 . . ?
C02V C03K C03Z 107(2) . . ?
C03G C03K H03U 110.1 . . ?
C03G C03K C03Z 109(2) . . ?
C03Z C03K H03U 110.1 . . ?
C02U C03L P0U 118.5(17) . . ?
C04E C03L P0U 124.2(17) . . ?
C04E C03L C02U 117(2) . . ?
N011 C03M H03V 119.3 . . ?
N011 C03M C43 121(2) . . ?
C43 C03M H03V 119.3 . . ?
C01Y C03N H03W 110.5 . . ?
C01Y C03N H03X 110.5 . . ?
C01Y C03N C046 106(2) . . ?
H03W C03N H03X 108.6 . . ?
C046 C03N H03W 110.5 . . ?
C046 C03N H03X 110.5 . . ?
C02C C03O H03Y 109.5 . . ?
C02C C03O HE 109.5 . . ?
C02C C03O C45 111(2) . . ?
H03Y C03O HE 108.1 . . ?
C45 C03O H03Y 109.5 . . ?
C45 C03O HE 109.5 . . ?
C02K C03P P0U 121.2(17) . . ?
C03A C03P P0U 118.9(18) . . ?
C03A C03P C02K 120(2) . . ?
C01A C03Q H03Z 110.3 . . ?
C01A C03Q HF 110.3 . . ?
C033 C03Q C01A 107.3(19) . . ?
C033 C03Q H03Z 110.3 . . ?
C033 C03Q HF 110.3 . . ?
H03Z C03Q HF 108.5 . . ?
C02P C03R H03 109.1 . . ?
C02P C03R HG 109.1 . . ?
C031 C03R C02P 113(2) . . ?
C031 C03R H03 109.1 . . ?
C031 C03R HG 109.1 . . ?
H03 C03R HG 107.8 . . ?
C01E C03S H11 109.2 . . ?
C01E C03S HH 109.2 . . ?
C02I C03S C01E 112(2) . . ?
C02I C03S H11 109.2 . . ?
C02I C03S HH 109.2 . . ?
H11 C03S HH 107.9 . . ?
C040 C03T H12 117.0 . . ?
C040 C03T C044 126(3) . . ?
C044 C03T H12 117.0 . . ?
C01X C03V S0N 106.9(15) . . ?
C026 C03V S0N 118.1(16) . . ?
C026 C03V C01X 107.4(18) . . ?
C6 C03V S0N 107.5(16) . . ?
C6 C03V C01X 109.0(18) . . ?
C6 C03V C026 107.7(19) . . ?
C01N C03X H13 119.4 . . ?
C03J C03X C01N 121(2) . . ?
C03J C03X H13 119.4 . . ?
C02L C03Y C02X 118(2) . . ?
C02L C03Y H14 121.1 . . ?
C02X C03Y H14 121.1 . . ?
C03K C03Z H15 110.1 . . ?
C03K C03Z HI 110.1 . . ?
H15 C03Z HI 108.4 . . ?
C59 C03Z C03K 108(2) . . ?
C59 C03Z H15 110.1 . . ?
C59 C03Z HI 110.1 . . ?
C03T C040 H040 121.5 . . ?
C03T C040 C56 117(3) . . ?
C56 C040 H040 121.5 . . ?
H04A C041 H04B 108.2 . . ?
C046 C041 H04A 109.6 . . ?
C046 C041 H04B 109.6 . . ?
C046 C041 C58 110(2) . . ?
C58 C041 H04A 109.6 . . ?
C58 C041 H04B 109.6 . . ?
C029 C042 H042 110.3 . . ?
C029 C042 C05D 108.6(19) . . ?
C04A C042 C029 108(2) . . ?
C04A C042 H042 110.3 . . ?
C04A C042 C05D 109(2) . . ?
C05D C042 H042 110.3 . . ?
C03T C044 P0R 119.9(19) . . ?
C03T C044 C052 116(2) . . ?
C052 C044 P0R 123.6(17) . . ?
C039 C045 C03F 125(3) . . ?
C039 C045 H045 117.7 . . ?
C03F C045 H045 117.7 . . ?
C03N C046 H046 108.9 . . ?
C041 C046 C03N 108(2) . . ?
C041 C046 H046 108.9 . . ?
C041 C046 C04K 113(2) . . ?
C04K C046 C03N 109.4(19) . . ?
C04K C046 H046 108.9 . . ?
C01Z C049 H049 119.6 . . ?
C02K C049 C01Z 121(2) . . ?
C02K C049 H049 119.6 . . ?
C042 C04A H04C 109.3 . . ?
C042 C04A H04D 109.3 . . ?
C042 C04A C04F 112(2) . . ?
H04C C04A H04D 108.0 . . ?
C04F C04A H04C 109.3 . . ?
C04F C04A H04D 109.3 . . ?
C04J C04B H04E 108.6 . . ?
C04J C04B C6 112(2) . . ?
C04R C04B H04E 108.6 . . ?
C04R C04B C04J 112(2) . . ?
C04R C04B C6 107(2) . . ?
C6 C04B H04E 108.6 . . ?
C028 C04C H04F 109.7 . . ?
C028 C04C H04G 109.7 . . ?
C033 C04C C028 110(2) . . ?
C033 C04C H04F 109.7 . . ?
C033 C04C H04G 109.7 . . ?
H04F C04C H04G 108.2 . . ?
C03L C04E H04H 120.4 . . ?
C03L C04E C62 119(2) . . ?
C62 C04E H04H 120.4 . . ?
C04A C04F H04I 110.3 . . ?
C04A C04F C57 110(2) . . ?
C39 C04F C04A 108(2) . . ?
C39 C04F H04I 110.3 . . ?
C39 C04F C57 108.2(18) . . ?
C57 C04F H04I 110.3 . . ?
C03E C04J H04J 109.8 . . ?
C03E C04J H04K 109.8 . . ?
C04B C04J C03E 109(2) . . ?
C04B C04J H04J 109.8 . . ?
C04B C04J H04K 109.8 . . ?
H04J C04J H04K 108.2 . . ?
C046 C04K H04L 109.7 . . ?
C046 C04K H04M 109.7 . . ?
C046 C04K C66 110(2) . . ?
H04L C04K H04M 108.2 . . ?
C66 C04K H04L 109.7 . . ?
C66 C04K H04M 109.7 . . ?
H04N C04L H04O 107.4 . . ?
C50 C04L H04N 108.4 . . ?
C50 C04L H04O 108.4 . . ?
C59 C04L H04N 108.4 . . ?
C59 C04L H04O 108.4 . . ?
C59 C04L C50 116(2) . . ?
C033 C04M H04P 109.8 . . ?
C033 C04M H04Q 109.8 . . ?
H04P C04M H04Q 108.2 . . ?
C49 C04M C033 109(2) . . ?
C49 C04M H04P 109.8 . . ?
C49 C04M H04Q 109.8 . . ?
C026 C04N C030 109(2) . . ?
C026 C04N H04R 110.3 . . ?
C026 C04N C04R 108(2) . . ?
C030 C04N H04R 110.3 . . ?
C030 C04N C04R 110(2) . . ?
C04R C04N H04R 110.3 . . ?
H04S C04P H04T 108.2 . . ?
C58 C04P H04S 109.7 . . ?
C58 C04P H04T 109.7 . . ?
C58 C04P C66 110(2) . . ?
C66 C04P H04S 109.7 . . ?
C66 C04P H04T 109.7 . . ?
C04B C04R C04N 111(2) . . ?
C04B C04R H04U 109.5 . . ?
C04B C04R H04V 109.5 . . ?
C04N C04R H04U 109.5 . . ?
C04N C04R H04V 109.5 . . ?
H04U C04R H04V 108.1 . . ?
C01B C04V H04W 108.3 . . ?
C05D C04V C01B 109.5(19) . . ?
C05D C04V H04W 108.3 . . ?
C39 C04V C01B 112(2) . . ?
C39 C04V H04W 108.3 . . ?
C39 C04V C05D 111(2) . . ?
C03B C04Y C03J 121(3) . . ?
C03B C04Y H04Y 119.5 . . ?
C03J C04Y H04Y 119.5 . . ?
C044 C052 H052 119.3 . . ?
C70 C052 C044 121(3) . . ?
C70 C052 H052 119.3 . . ?
C042 C05D H05A 109.9 . . ?
C042 C05D H05B 109.9 . . ?
C04V C05D C042 109(2) . . ?
C04V C05D H05A 109.9 . . ?
C04V C05D H05B 109.9 . . ?
H05A C05D H05B 108.3 . . ?
C04F C39 H39A 109.3 . . ?
C04F C39 H39B 109.3 . . ?
C04V C39 C04F 111.4(19) . . ?
C04V C39 H39A 109.3 . . ?
C04V C39 H39B 109.3 . . ?
H39A C39 H39B 108.0 . . ?
C03F C43 H43 121.6 . . ?
C03M C43 C03F 117(2) . . ?
C03M C43 H43 121.6 . . ?
C028 C44 H44A 110.1 . . ?
C028 C44 H44B 110.1 . . ?
C028 C44 C49 108(2) . . ?
H44A C44 H44B 108.4 . . ?
C49 C44 H44A 110.1 . . ?
C49 C44 H44B 110.1 . . ?
C038 C45 H45 108.1 . . ?
C03O C45 C038 113(2) . . ?
C03O C45 H45 108.1 . . ?
C03O C45 C61 111(2) . . ?
C61 C45 C038 109(2) . . ?
C61 C45 H45 108.1 . . ?
C02I C47 H47A 109.6 . . ?
C02I C47 H47B 109.6 . . ?
C02J C47 C02I 110(2) . . ?
C02J C47 H47A 109.6 . . ?
C02J C47 H47B 109.6 . . ?
H47A C47 H47B 108.1 . . ?
C01T C48 C02W 108(2) . . ?
C01T C48 H48 108.8 . . ?
C01T C48 C61 113(2) . . ?
C02W C48 H48 108.8 . . ?
C61 C48 C02W 109(2) . . ?
C61 C48 H48 108.8 . . ?
C01P C49 C04M 109(2) . . ?
C01P C49 C44 110(2) . . ?
C01P C49 H49 109.0 . . ?
C04M C49 C44 111(2) . . ?
C04M C49 H49 109.0 . . ?
C44 C49 H49 109.0 . . ?
C01L C50 C03G 108(2) . . ?
C01L C50 C04L 109(2) . . ?
C01L C50 H50 111.1 . . ?
C03G C50 H50 111.1 . . ?
C04L C50 C03G 106(2) . . ?
C04L C50 H50 111.1 . . ?
C02H C55 H55 119.7 . . ?
C62 C55 C02H 121(2) . . ?
C62 C55 H55 119.7 . . ?
C040 C56 H56 120.5 . . ?
C70 C56 C040 119(3) . . ?
C70 C56 H56 120.5 . . ?
C01K C57 C04F 108(2) . . ?
C01K C57 H57A 110.1 . . ?
C01K C57 H57B 110.1 . . ?
C04F C57 H57A 110.1 . . ?
C04F C57 H57B 110.1 . . ?
H57A C57 H57B 108.4 . . ?
C041 C58 H58 108.6 . . ?
C041 C58 C76 111(3) . . ?
C04P C58 C041 111(3) . . ?
C04P C58 H58 108.6 . . ?
C04P C58 C76 109(2) . . ?
C76 C58 H58 108.6 . . ?
C03C C59 C03Z 106(2) . . ?
C03C C59 H59 110.8 . . ?
C03Z C59 H59 110.8 . . ?
C04L C59 C03C 109(2) . . ?
C04L C59 C03Z 109(2) . . ?
C04L C59 H59 110.8 . . ?
C02R C60 H60A 109.8 . . ?
C02R C60 H60B 109.8 . . ?
C02R C60 C77 109(3) . . ?
H60A C60 H60B 108.3 . . ?
C77 C60 H60A 109.8 . . ?
C77 C60 H60B 109.8 . . ?
C45 C61 C48 107(2) . . ?
C45 C61 H61A 110.4 . . ?
C45 C61 H61B 110.4 . . ?
C48 C61 H61A 110.4 . . ?
C48 C61 H61B 110.4 . . ?
H61A C61 H61B 108.6 . . ?
C04E C62 H62 119.2 . . ?
C55 C62 C04E 122(3) . . ?
C55 C62 H62 119.2 . . ?
C02T C66 C04P 111(2) . . ?
C02T C66 H66 110.3 . . ?
C04K C66 C02T 108(2) . . ?
C04K C66 C04P 106(2) . . ?
C04K C66 H66 110.3 . . ?
C04P C66 H66 110.3 . . ?
C02R C69 H69A 110.0 . . ?
C02R C69 H69B 110.0 . . ?
C02R C69 C130 109(3) . . ?
H69A C69 H69B 108.4 . . ?
C130 C69 H69A 110.0 . . ?
C130 C69 H69B 110.0 . . ?
C052 C70 H70 119.6 . . ?
C56 C70 C052 121(3) . . ?
C56 C70 H70 119.6 . . ?
C01Y C76 H76A 110.5 . . ?
C01Y C76 H76B 110.5 . . ?
C58 C76 C01Y 106(2) . . ?
C58 C76 H76A 110.5 . . ?
C58 C76 H76B 110.5 . . ?
H76A C76 H76B 108.7 . . ?
C01S C77 H77 110.5 . . ?
C60 C77 C01S 103(2) . . ?
C60 C77 H77 110.5 . . ?
C170 C77 C01S 112(2) . . ?
C170 C77 C60 110(3) . . ?
C170 C77 H77 110.5 . . ?
C03I C130 C69 112(2) . . ?
C03I C130 H130 106.6 . . ?
C69 C130 H130 106.6 . . ?
C170 C130 C03I 115(3) . . ?
C170 C130 C69 109(3) . . ?
C170 C130 H130 106.6 . . ?
C77 C170 H17A 110.4 . . ?
C77 C170 H17B 110.4 . . ?
C130 C170 C77 107(2) . . ?
C130 C170 H17A 110.4 . . ?
C130 C170 H17B 110.4 . . ?
H17A C170 H17B 108.6 . . ?
C03V C6 C04B 110(2) . . ?
C03V C6 H6A 109.6 . . ?
C03V C6 H6B 109.6 . . ?
C04B C6 H6A 109.6 . . ?
C04B C6 H6B 109.6 . . ?
H6A C6 H6B 108.2 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Au02 S0L C01Y C02T 152.6(15) . . . . ?
Au02 S0L C01Y C03N -84.8(16) . . . . ?
Au02 S0L C01Y C76 34.2(18) . . . . ?
Au03 P0U C01W N014 -24.9(17) . . . . ?
Au03 P0U C01W C02N 155.5(16) . . . . ?
Au03 P0U C03L C02U -26(2) . . . . ?
Au03 P0U C03L C04E 153.9(19) . . . . ?
Au03 P0U C03P C02K 103.6(18) . . . . ?
Au03 P0U C03P C03A -73.8(19) . . . . ?
Au04 S0S C02D C01L 51.9(17) . . . . ?
Au04 S0S C02D C02V 172.0(14) . . . . ?
Au04 S0S C02D C03C -66.5(18) . . . . ?
Au05 S0M C013 C015 -146.0(12) . . . . ?
Au05 S0M C013 C01F -22.3(18) . . . . ?
Au05 S0M C013 C02S 96.6(13) . . . . ?
Au06 S0K C01A C01P -73.1(18) . . . . ?
Au06 S0K C01A C022 51.5(18) . . . . ?
Au06 S0K C01A C03Q 167.3(13) . . . . ?
Au07 S0M C013 C015 -54.2(14) . . . . ?
Au07 S0M C013 C01F 69.4(18) . . . . ?
Au07 S0M C013 C02S -171.6(11) . . . . ?
Au08 S0K C01A C01P 14.4(19) . . . . ?
Au08 S0K C01A C022 139.0(15) . . . . ?
Au08 S0K C01A C03Q -105.1(15) . . . . ?
Au09 S0N C03V C01X 64.3(16) . . . . ?
Au09 S0N C03V C026 -56.8(19) . . . . ?
Au09 S0N C03V C6 -178.8(12) . . . . ?
Au0A S00O C01Q C01G 39.3(16) . . . . ?
Au0A S00O C01Q C02Y -84.5(13) . . . . ?
Au0A S00O C01Q C035 160.0(14) . . . . ?
Au0B P0R C02G C01N -48(2) . . . . ?
Au0B P0R C02G C03B 126(2) . . . . ?
Au0B P0R C039 N011 -41(2) . . . . ?
Au0B P0R C039 C045 153(2) . . . . ?
Au0B P0R C044 C03T -35(2) . . . . ?
Au0B P0R C044 C052 155.2(19) . . . . ?
Au0C S0N C03V C01X 157.6(13) . . . . ?
Au0C S0N C03V C026 36.5(19) . . . . ?
Au0C S0N C03V C6 -85.5(15) . . . . ?
Au0D S0S C02D C01L -42.8(18) . . . . ?
Au0D S0S C02D C02V 77.2(17) . . . . ?
Au0D S0S C02D C03C -161.2(14) . . . . ?
Au0D P00W C3 N00Z 26(2) . . . . ?
Au0D P00W C3 C4 -151.4(16) . . . . ?
Au0D P00W C1 C2 39(2) . . . . ?
Au0D P00W C1 C027 -135.8(19) . . . . ?
Au0D P00W C024 C5 70.6(17) . . . . ?
Au0D P00W C024 C02X -118.7(18) . . . . ?
Au0E S0Q C01K C01B 172.9(12) . . . . ?
Au0E S0Q C01K C029 58.9(16) . . . . ?
Au0E S0Q C01K C57 -63.3(18) . . . . ?
Au0F S0L C01Y C02T -103.9(16) . . . . ?
Au0F S0L C01Y C03N 18.7(17) . . . . ?
Au0F S0L C01Y C76 137.7(16) . . . . ?
Au0F S00T C025 C01T -58.2(17) . . . . ?
Au0F S00T C025 C02E -177.3(14) . . . . ?
Au0F S00T C025 C038 64.5(14) . . . . ?
Au0G S0Q C01K C01B -83.2(14) . . . . ?
Au0G S0Q C01K C029 162.8(13) . . . . ?
Au0G S0Q C01K C57 40.6(18) . . . . ?
Au0G S00V C01D C01S -171.5(18) . . . . ?
Au0G S00V C01D C023 -49(2) . . . . ?
Au0G S00V C01D C03I 68(2) . . . . ?
Cd0H S00O C01Q C01G -51.4(16) . . . . ?
Cd0H S00O C01Q C02Y -175.3(12) . . . . ?
Cd0H S00O C01Q C035 69.3(16) . . . . ?
Cd0H N00Z C3 P00W 7(2) . . . . ?
Cd0H N00Z C3 C4 -176.1(16) . . . . ?
Cd0H N00Z C01J C020 179.8(19) . . . . ?
Cd0I S00V C01D C01S -82(2) . . . . ?
Cd0I S00V C01D C023 41(3) . . . . ?
Cd0I S00V C01D C03I 157.3(16) . . . . ?
Cd0I N011 C039 P0R 25(3) . . . . ?
Cd0I N011 C039 C045 -168.2(17) . . . . ?
Cd0I N011 C03M C43 173.7(19) . . . . ?
Cd0J S00T C025 C01T 34.4(18) . . . . ?
Cd0J S00T C025 C02E -84.7(15) . . . . ?
Cd0J S00T C025 C038 157.1(12) . . . . ?
Cd0J N014 C01W P0U -10(2) . . . . ?
Cd0J N014 C01W C02N 169.5(16) . . . . ?
Cd0J N014 C02A C01O -169.3(19) . . . . ?
S0K C01A C01P C49 -178.1(18) . . . . ?
S0K C01A C022 C028 179.2(18) . . . . ?
S0K C01A C03Q C033 -177.7(16) . . . . ?
S0L C01Y C02T C66 -176.6(18) . . . . ?
S0L C01Y C03N C046 -179.3(15) . . . . ?
S0L C01Y C76 C58 179.8(19) . . . . ?
S0M C013 C015 C01E -176.0(15) . . . . ?
S0M C013 C01F C02I -179.5(18) . . . . ?
S0M C013 C02S C02J 177.2(14) . . . . ?
S0N C03V C6 C04B -173.0(16) . . . . ?
S00O C01Q C02Y C02Z -176.8(15) . . . . ?
S00O C01Q C035 C031 177.7(18) . . . . ?
S0Q C01K C029 C042 172.7(16) . . . . ?
S0Q C01K C57 C04F -179.0(15) . . . . ?
P0R C02G C03B C04Y -179(2) . . . . ?
P0R C039 C045 C03F 165(2) . . . . ?
P0R C044 C052 C70 170(2) . . . . ?
S0S C02D C02V C03K 180.0(17) . . . . ?
S0S C02D C03C C59 -179.7(17) . . . . ?
S00T C025 C02E C02C -174.9(17) . . . . ?
S00T C025 C038 C45 173.8(15) . . . . ?
P0U C01W C02N C01V 178.2(17) . . . . ?
P0U C03L C04E C62 175(2) . . . . ?
S00V C01D C01S C77 -172(2) . . . . ?
S00V C01D C023 C02R 178(2) . . . . ?
S00V C01D C03I C130 174(2) . . . . ?
P00W C3 C4 C01R 178.5(19) . . . . ?
P00W C1 C027 C036 173.8(19) . . . . ?
P00W C024 C02X C03Y -177.1(17) . . . . ?
N00Z C3 C4 C01R 2(4) . . . . ?
N00Z C01J C020 C01R -8(4) . . . . ?
N011 C039 C045 C03F 0(4) . . . . ?
N011 C03M C43 C03F -6(4) . . . . ?
C3 P00W C1 C2 164.0(19) . . . . ?
C3 P00W C1 C027 -11(2) . . . . ?
C3 P00W C024 C5 -56.0(18) . . . . ?
C3 P00W C024 C02X 114.7(19) . . . . ?
C3 N00Z C01J C020 9(4) . . . . ?
C3 C4 C01R C020 -1(4) . . . . ?
C013 C015 C01E C021 60(2) . . . . ?
C013 C015 C01E C03S -59(2) . . . . ?
C013 C01F C02I C03S 56(3) . . . . ?
C013 C01F C02I C47 -62(3) . . . . ?
N014 C01W C02N C01V -1(3) . . . . ?
C015 C013 C01F C02I -56(3) . . . . ?
C015 C013 C02S C02J 60(2) . . . . ?
C015 C01E C021 C02J -62(3) . . . . ?
C015 C01E C03S C02I 61(3) . . . . ?
C4 C01R C020 C01J 4(4) . . . . ?
C2 C1 C027 C036 -1(4) . . . . ?
C2 C01M C02B C036 5(4) . . . . ?
C1 P00W C3 N00Z -98.3(19) . . . . ?
C1 P00W C3 C4 85(2) . . . . ?
C1 P00W C024 C5 -163.9(16) . . . . ?
C1 P00W C024 C02X 7(2) . . . . ?
C1 C2 C01M C02B -1(4) . . . . ?
C1 C027 C036 C02B 5(4) . . . . ?
C01A C01P C49 C04M 61(3) . . . . ?
C01A C01P C49 C44 -61(3) . . . . ?
C01A C022 C028 C04C -65(3) . . . . ?
C01A C022 C028 C44 57(3) . . . . ?
C01B C01K C029 C042 61(2) . . . . ?
C01B C01K C57 C04F -61(3) . . . . ?
C01B C04V C05D C042 -65(3) . . . . ?
C01B C04V C39 C04F 62(3) . . . . ?
C01D C01S C77 C60 -64(3) . . . . ?
C01D C01S C77 C170 54(3) . . . . ?
C01D C023 C02R C60 59(3) . . . . ?
C01D C023 C02R C69 -59(4) . . . . ?
C01D C03I C130 C69 64(3) . . . . ?
C01D C03I C130 C170 -62(3) . . . . ?
C01E C021 C02J C02S 60(3) . . . . ?
C01E C021 C02J C47 -56(3) . . . . ?
C01F C013 C015 C01E 57(2) . . . . ?
C01F C013 C02S C02J -59(2) . . . . ?
C01F C02I C03S C01E -58(3) . . . . ?
C01F C02I C47 C02J 61(3) . . . . ?
C01G C01Q C02Y C02Z 56(2) . . . . ?
C01G C01Q C035 C031 -57(3) . . . . ?
C01G C02P C037 C02Z -59(3) . . . . ?
C01G C02P C03R C031 58(3) . . . . ?
C5 C024 C02X C03Y -7(3) . . . . ?
C01J N00Z C3 P00W 177.7(17) . . . . ?
C01J N00Z C3 C4 -5(3) . . . . ?
C01K C01B C04V C05D 66(2) . . . . ?
C01K C01B C04V C39 -57(2) . . . . ?
C01K C029 C042 C04A 60(2) . . . . ?
C01K C029 C042 C05D -59(3) . . . . ?
C01L C02D C02V C03K -58(3) . . . . ?
C01L C02D C03C C59 59(3) . . . . ?
C01M C2 C1 P00W -176(2) . . . . ?
C01M C2 C1 C027 -1(3) . . . . ?
C01M C02B C036 C027 -7(4) . . . . ?
C01N C02G C03B C04Y -5(4) . . . . ?
C01O C01V C02N C01W 2(3) . . . . ?
C01P C01A C022 C028 -53(3) . . . . ?
C01P C01A C03Q C033 58(2) . . . . ?
C01Q C01G C02P C037 57(2) . . . . ?
C01Q C01G C02P C03R -60(3) . . . . ?
C01Q C02Y C02Z C02Q 62(2) . . . . ?
C01Q C02Y C02Z C037 -59(2) . . . . ?
C01S C01D C023 C02R -58(3) . . . . ?
C01S C01D C03I C130 54(3) . . . . ?
C01S C77 C170 C130 -56(3) . . . . ?
C01T C025 C02E C02C 63(3) . . . . ?
C01T C025 C038 C45 -62(2) . . . . ?
C01T C48 C61 C45 61(3) . . . . ?
C01V C01O C02A N014 0(4) . . . . ?
C01W P0U C03L C02U -150.8(17) . . . . ?
C01W P0U C03L C04E 29(2) . . . . ?
C01W P0U C03P C02K -131.5(19) . . . . ?
C01W P0U C03P C03A 51(2) . . . . ?
C01W N014 C02A C01O 1(4) . . . . ?
C01X C03E C04J C04B 61(3) . . . . ?
C01X C03V C6 C04B -57(2) . . . . ?
C01Y C02T C66 C04K -60(3) . . . . ?
C01Y C02T C66 C04P 56(3) . . . . ?
C01Y C03N C046 C041 -64(3) . . . . ?
C01Y C03N C046 C04K 59(2) . . . . ?
C01Z C02O C03A C03P 1(3) . . . . ?
C021 C01E C03S C02I -57(3) . . . . ?
C021 C02J C02S C013 -60(2) . . . . ?
C021 C02J C47 C02I 55(3) . . . . ?
C022 C01A C01P C49 58(3) . . . . ?
C022 C01A C03Q C033 -61(3) . . . . ?
C022 C028 C04C C033 63(3) . . . . ?
C022 C028 C44 C49 -60(3) . . . . ?
C023 C01D C01S C77 62(3) . . . . ?
C023 C01D C03I C130 -62(3) . . . . ?
C023 C02R C60 C77 -63(3) . . . . ?
C023 C02R C69 C130 54(3) . . . . ?
C024 P00W C3 N00Z 152.2(18) . . . . ?
C024 P00W C3 C4 -25(2) . . . . ?
C024 P00W C1 C2 -88(2) . . . . ?
C024 P00W C1 C027 97(2) . . . . ?
C024 C5 C03D C02L -3(3) . . . . ?
C024 C02X C03Y C02L 5(3) . . . . ?
C025 C01T C48 C02W 63(3) . . . . ?
C025 C01T C48 C61 -58(3) . . . . ?
C025 C038 C45 C03O -59(3) . . . . ?
C025 C038 C45 C61 65(3) . . . . ?
C026 C03V C6 C04B 59(2) . . . . ?
C026 C04N C04R C04B -60(3) . . . . ?
C028 C44 C49 C01P 61(3) . . . . ?
C028 C44 C49 C04M -59(3) . . . . ?
C029 C01K C57 C04F 59(2) . . . . ?
C029 C042 C04A C04F -59(3) . . . . ?
C029 C042 C05D C04V 60(3) . . . . ?
C02A N014 C01W P0U 179.9(17) . . . . ?
C02A N014 C01W C02N -1(3) . . . . ?
C02A C01O C01V C02N -2(4) . . . . ?
C02C C02W C48 C01T -63(3) . . . . ?
C02C C02W C48 C61 60(3) . . . . ?
C02C C03O C45 C038 58(3) . . . . ?
C02C C03O C45 C61 -64(3) . . . . ?
C02D C01L C50 C03G -59(3) . . . . ?
C02D C01L C50 C04L 56(3) . . . . ?
C02D C02V C03K C03G 57(3) . . . . ?
C02D C02V C03K C03Z -61(3) . . . . ?
C02D C03C C59 C03Z 60(3) . . . . ?
C02D C03C C59 C04L -57(3) . . . . ?
C02E C025 C038 C45 58(2) . . . . ?
C02E C02C C02W C48 60(3) . . . . ?
C02E C02C C03O C45 -56(3) . . . . ?
C02G P0R C039 N011 -165.3(17) . . . . ?
C02G P0R C039 C045 29(3) . . . . ?
C02G P0R C044 C03T 94(2) . . . . ?
C02G P0R C044 C052 -76(2) . . . . ?
C02G C01N C03X C03J -3(4) . . . . ?
C02G C03B C04Y C03J 2(4) . . . . ?
C02H C02U C03L P0U -172(2) . . . . ?
C02H C02U C03L C04E 8(4) . . . . ?
C02H C55 C62 C04E -1(4) . . . . ?
C02O C01Z C049 C02K 5(3) . . . . ?
C02O C03A C03P P0U 178.8(17) . . . . ?
C02O C03A C03P C02K 1(3) . . . . ?
C02P C01G C01Q S00O -178.9(15) . . . . ?
C02P C01G C01Q C02Y -55(2) . . . . ?
C02P C01G C01Q C035 58(2) . . . . ?
C02Q C02Z C037 C02P -61(3) . . . . ?
C02Q C031 C035 C01Q -61(3) . . . . ?
C02Q C031 C03R C02P 60(3) . . . . ?
C02R C60 C77 C01S 63(3) . . . . ?
C02R C60 C77 C170 -56(3) . . . . ?
C02R C69 C130 C03I -58(3) . . . . ?
C02R C69 C130 C170 71(3) . . . . ?
C02S C013 C015 C01E -60(2) . . . . ?
C02S C013 C01F C02I 62(3) . . . . ?
C02S C02J C47 C02I -61(3) . . . . ?
C02T C01Y C03N C046 -60(2) . . . . ?
C02T C01Y C76 C58 63(3) . . . . ?
C02U C02H C55 C62 3(4) . . . . ?
C02U C03L C04E C62 -5(4) . . . . ?
C02V C02D C03C C59 -59(3) . . . . ?
C02V C03K C03Z C59 63(3) . . . . ?
C02W C02C C02E C025 -61(3) . . . . ?
C02W C02C C03O C45 61(3) . . . . ?
C02W C48 C61 C45 -59(3) . . . . ?
C02Y C01Q C035 C031 59(3) . . . . ?
C02Y C02Z C037 C02P 59(2) . . . . ?
C02Z C02Q C031 C035 62(3) . . . . ?
C02Z C02Q C031 C03R -57(3) . . . . ?
C030 C03E C04J C04B -57(3) . . . . ?
C030 C04N C04R C04B 58(3) . . . . ?
C031 C02Q C02Z C02Y -63(3) . . . . ?
C031 C02Q C02Z C037 58(3) . . . . ?
C033 C04M C49 C01P -61(3) . . . . ?
C033 C04M C49 C44 60(3) . . . . ?
C035 C01Q C02Y C02Z -58(2) . . . . ?
C035 C031 C03R C02P -56(3) . . . . ?
C037 C02P C03R C031 -62(3) . . . . ?
C038 C025 C02E C02C -58(3) . . . . ?
C038 C45 C61 C48 -63(3) . . . . ?
C039 P0R C02G C01N 76(2) . . . . ?
C039 P0R C02G C03B -110(2) . . . . ?
C039 P0R C044 C03T -160(2) . . . . ?
C039 P0R C044 C052 30(2) . . . . ?
C039 N011 C03M C43 5(4) . . . . ?
C03C C02D C02V C03K 59(3) . . . . ?
C03D C5 C024 P00W 176.9(17) . . . . ?
C03D C5 C024 C02X 6(3) . . . . ?
C03D C02L C03Y C02X -2(4) . . . . ?
C03E C01X C03V S0N 176.9(16) . . . . ?
C03E C01X C03V C026 -55(2) . . . . ?
C03E C01X C03V C6 61(2) . . . . ?
C03E C030 C04N C026 61(3) . . . . ?
C03E C030 C04N C04R -56(3) . . . . ?
C03G C03K C03Z C59 -56(3) . . . . ?
C03I C01D C01S C77 -52(3) . . . . ?
C03I C01D C023 C02R 59(3) . . . . ?
C03I C130 C170 C77 62(3) . . . . ?
C03K C03G C50 C01L 57(3) . . . . ?
C03K C03G C50 C04L -60(3) . . . . ?
C03K C03Z C59 C03C -62(3) . . . . ?
C03K C03Z C59 C04L 55(3) . . . . ?
C03L P0U C01W N014 102.0(17) . . . . ?
C03L P0U C01W C02N -78(2) . . . . ?
C03L P0U C03P C02K -24(2) . . . . ?
C03L P0U C03P C03A 158.3(18) . . . . ?
C03L C04E C62 C55 2(4) . . . . ?
C03M N011 C039 P0R -168.9(18) . . . . ?
C03M N011 C039 C045 -2(4) . . . . ?
C03N C01Y C02T C66 62(3) . . . . ?
C03N C01Y C76 C58 -60(3) . . . . ?
C03N C046 C04K C66 -62(3) . . . . ?
C03O C02C C02E C025 57(3) . . . . ?
C03O C02C C02W C48 -60(3) . . . . ?
C03O C45 C61 C48 61(3) . . . . ?
C03P P0U C01W N014 -152.3(16) . . . . ?
C03P P0U C01W C02N 28(2) . . . . ?
C03P P0U C03L C02U 102.8(19) . . . . ?
C03P P0U C03L C04E -78(2) . . . . ?
C03P C02K C049 C01Z -3(3) . . . . ?
C03Q C01A C01P C49 -60(3) . . . . ?
C03Q C01A C022 C028 65(3) . . . . ?
C03Q C033 C04C C028 -64(3) . . . . ?
C03Q C033 C04M C49 62(3) . . . . ?
C03R C02P C037 C02Z 59(2) . . . . ?
C03R C031 C035 C01Q 56(3) . . . . ?
C03S C01E C021 C02J 55(3) . . . . ?
C03S C02I C47 C02J -54(3) . . . . ?
C03T C040 C56 C70 -1(4) . . . . ?
C03T C044 C052 C70 0(4) . . . . ?
C03V C01X C03E C030 58(3) . . . . ?
C03V C01X C03E C04J -61(2) . . . . ?
C03V C026 C04N C030 -62(3) . . . . ?
C03V C026 C04N C04R 57(3) . . . . ?
C03X C01N C02G P0R 179.7(18) . . . . ?
C03X C01N C02G C03B 5(4) . . . . ?
C03X C03J C04Y C03B 0(4) . . . . ?
C03Y C02L C03D C5 1(4) . . . . ?
C040 C03T C044 P0R -169(2) . . . . ?
C040 C03T C044 C052 1(4) . . . . ?
C040 C56 C70 C052 2(5) . . . . ?
C041 C046 C04K C66 59(3) . . . . ?
C041 C58 C76 C01Y 59(3) . . . . ?
C042 C04A C04F C39 -59(3) . . . . ?
C042 C04A C04F C57 59(3) . . . . ?
C044 P0R C02G C01N -178(2) . . . . ?
C044 P0R C02G C03B -3(2) . . . . ?
C044 P0R C039 N011 87.3(19) . . . . ?
C044 P0R C039 C045 -78(3) . . . . ?
C044 C03T C040 C56 -1(5) . . . . ?
C044 C052 C70 C56 -2(5) . . . . ?
C045 C03F C43 C03M 4(4) . . . . ?
C046 C041 C58 C04P 58(3) . . . . ?
C046 C041 C58 C76 -64(3) . . . . ?
C046 C04K C66 C02T 61(3) . . . . ?
C046 C04K C66 C04P -58(3) . . . . ?
C049 C01Z C02O C03A -4(3) . . . . ?
C049 C02K C03P P0U -177.5(17) . . . . ?
C049 C02K C03P C03A 0(3) . . . . ?
C04A C042 C05D C04V -58(3) . . . . ?
C04A C04F C39 C04V 58(3) . . . . ?
C04A C04F C57 C01K -58(3) . . . . ?
C04C C028 C44 C49 58(3) . . . . ?
C04C C033 C03Q C01A 60(3) . . . . ?
C04C C033 C04M C49 -59(3) . . . . ?
C04J C04B C04R C04N -60(3) . . . . ?
C04J C04B C6 C03V 59(3) . . . . ?
C04M C033 C03Q C01A -60(3) . . . . ?
C04M C033 C04C C028 58(3) . . . . ?
C04N C026 C03V S0N -179.4(18) . . . . ?
C04N C026 C03V C01X 60(3) . . . . ?
C04N C026 C03V C6 -58(3) . . . . ?
C04N C030 C03E C01X -59(3) . . . . ?
C04N C030 C03E C04J 57(3) . . . . ?
C04P C58 C76 C01Y -63(3) . . . . ?
C04R C04B C04J C03E 59(3) . . . . ?
C04R C04B C6 C03V -63(3) . . . . ?
C04V C01B C01K S0Q -176.9(15) . . . . ?
C04V C01B C01K C029 -63(2) . . . . ?
C04V C01B C01K C57 59(2) . . . . ?
C04Y C03J C03X C01N 1(4) . . . . ?
C05D C042 C04A C04F 59(3) . . . . ?
C05D C04V C39 C04F -60(3) . . . . ?
C39 C04F C57 C01K 59(3) . . . . ?
C39 C04V C05D C042 58(3) . . . . ?
C43 C03F C045 C039 -2(4) . . . . ?
C44 C028 C04C C033 -60(3) . . . . ?
C47 C02I C03S C01E 56(3) . . . . ?
C47 C02J C02S C013 61(2) . . . . ?
C48 C01T C025 S00T 178.8(17) . . . . ?
C48 C01T C025 C02E -63(3) . . . . ?
C48 C01T C025 C038 58(3) . . . . ?
C50 C01L C02D S0S -178.7(16) . . . . ?
C50 C01L C02D C02V 60(3) . . . . ?
C50 C01L C02D C03C -59(2) . . . . ?
C50 C03G C03K C02V -56(3) . . . . ?
C50 C03G C03K C03Z 61(3) . . . . ?
C50 C04L C59 C03C 55(3) . . . . ?
C50 C04L C59 C03Z -61(3) . . . . ?
C55 C02H C02U C03L -7(4) . . . . ?
C57 C01K C029 C042 -62(3) . . . . ?
C57 C04F C39 C04V -61(3) . . . . ?
C58 C041 C046 C03N 65(3) . . . . ?
C58 C041 C046 C04K -56(3) . . . . ?
C58 C04P C66 C02T -57(3) . . . . ?
C58 C04P C66 C04K 61(3) . . . . ?
C59 C04L C50 C01L -55(3) . . . . ?
C59 C04L C50 C03G 62(3) . . . . ?
C60 C02R C69 C130 -65(3) . . . . ?
C60 C77 C170 C130 58(3) . . . . ?
C66 C04P C58 C041 -61(3) . . . . ?
C66 C04P C58 C76 61(3) . . . . ?
C69 C02R C60 C77 58(3) . . . . ?
C69 C130 C170 C77 -65(3) . . . . ?
C76 C01Y C02T C66 -60(3) . . . . ?
C76 C01Y C03N C046 63(2) . . . . ?
C6 C04B C04J C03E -61(3) . . . . ?
C6 C04B C04R C04N 63(3) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 -0.519 0.000 0.000 651.4 100.4 ?
2 -0.150 0.000 0.500 804.4 135.3 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
