# Supplementary Information (SI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2025

####################################################################### 
# 
# 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 
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data_R-Au19
_database_code_depnum_ccdc_archive 'CCDC 2381009'
loop_
_audit_author_name
_audit_author_address
'Tan Yesen'
;An Hui University
China
;
_audit_update_record             
;
2024-12-26 deposited with the CCDC.	2025-02-07 downloaded from the CCDC.
;
_audit_creation_date             2024-12-25
_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         'C155 H243 Au19 P2 S13, 0.5(C H2 Cl2)'
_chemical_formula_sum            'C155.50 H244 Au19 Cl P2 S13'
_chemical_formula_weight         6370.03
_chemical_absolute_configuration rm
_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'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   19.1670(3)
_cell_length_b                   22.9143(6)
_cell_length_c                   43.0420(7)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     18904.0(7)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    25050
_cell_measurement_temperature    120
_cell_measurement_theta_max      75.8760
_cell_measurement_theta_min      2.5100
_shelx_estimated_absorpt_T_max   0.326
_shelx_estimated_absorpt_T_min   0.016
_exptl_absorpt_coefficient_mu    28.858
_exptl_absorpt_correction_T_max  0.03468
_exptl_absorpt_correction_T_min  0.00082
_exptl_absorpt_correction_type   sphere
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.42.93a (Rigaku Oxford Diffraction, 2023)
Spherical absorption correction
using equivalent radius and absorption coefficient.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    2.238
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             11732
_exptl_crystal_size_max          0.8
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.05
_exptl_crystal_size_rad          0.400
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1334
_diffrn_reflns_av_unetI/netI     0.1339
_diffrn_reflns_Laue_measured_fraction_full 0.988
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       51
_diffrn_reflns_limit_l_min       -44
_diffrn_reflns_number            63965
_diffrn_reflns_point_group_measured_fraction_full 0.912
_diffrn_reflns_point_group_measured_fraction_max 0.910
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         67.991
_diffrn_reflns_theta_min         2.053
_diffrn_ambient_temperature      120
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'XtaLAB Synergy R, HyPix'
_diffrn_measurement_method       ?
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   ?
_reflns_Friedel_coverage         0.718
_reflns_Friedel_fraction_full    0.824
_reflns_Friedel_fraction_max     0.821
_reflns_number_gt                21768
_reflns_number_total             31355
_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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2017/1 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         5.261
_refine_diff_density_min         -3.402
_refine_diff_density_rms         0.450
_refine_ls_abs_structure_details 
;
 Flack x determined using 5976 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.03(3)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.140
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1687
_refine_ls_number_reflns         31355
_refine_ls_number_restraints     2644
_refine_ls_R_factor_all          0.1479
_refine_ls_R_factor_gt           0.1239
_refine_ls_restrained_S_all      1.133
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3041
_refine_ls_wR_factor_ref         0.3288
_refine_special_details          ?
_olex2_refinement_description    
;
1. Restrained distances
 C69-C183 = C55-C183 = C183-C158 = C76-C183 = C158-C151 = C76-C235 = C76-C119 =
  C76-C67 = C67-C151
 1.54 with sigma of 0.01
 C67-C183
 2.2 with sigma of 0.01
 C67-C106 = C69-C106
 1.54 with sigma of 0.01
 C83-C5 = C83-C123 = C83-C59 = C83-C181 = C211-C181 = C181-C111 = C71-C181 =
 C71-C166 = C166-C123 = C71-C212 = C59-C212
 1.54 with sigma of 0.01
 C58-C104 = C8-C58 = C58-C10 = C9-C58 = C86-C8 = C8-C68 = C8-C6 = C7-C6 = C7-
 C104 = C89-C104 = C89-C86
 1.54 with sigma of 0.01
 C211-C111
 2.5 with sigma of 0.01
 S00V-C13
 1.8 with sigma of 0.01
 C211-C71
 2.5 with sigma of 0.01
 C111-C71
 2.5 with sigma of 0.01
 C181-C59
 2.5 with sigma of 0.01
 C123-C181
 2.5 with sigma of 0.01
 C181-C166
 2.5 with sigma of 0.01
 C181-C212
 2.5 with sigma of 0.01
 C5-C181
 2.5 with sigma of 0.01
 S00P-C220
 1.8 with sigma of 0.01
 C220-C12 = C220-C137 = C137-C108 = C162-C108 = C90-C108 = C11-C108 = C14-C137
 = C93-C14 = C93-C162 = C162-C12
 1.54 with sigma of 0.01
 C195-C137
 1.54 with sigma of 0.01
 C251-C13 = C15-C13 = C251-C17 = C351-C17 = C95-C17 = C351-C130 = C15-C130 =
 C95-C15 = C18-C15 = C95-C16 = C95-C124
 1.54 with sigma of 0.01
 C351-C251
 2.5 with sigma of 0.01
 C95-C130
 2.5 with sigma of 0.01
 C251-C95
 2.5 with sigma of 0.01
 C16-C17
 2.5 with sigma of 0.01
 C124-C17
 2.5 with sigma of 0.01
 C124-C16
 2.5 with sigma of 0.01
 C83-C111
 2.5 with sigma of 0.01
 C211-C83
 2.5 with sigma of 0.01
 C166-C212
 2.5 with sigma of 0.01
 C69-C158
 2.5 with sigma of 0.01
 C146-C22
 2.5 with sigma of 0.01
 C19-C146 = C22-C19
 1.54 with sigma of 0.01
 C25-C21 = C25-C20 = C20-C147 = C24-C23 = C23-C21 = C24-C147 = C82-C147
 1.54 with sigma of 0.01
 C82-C21
 1.54 with sigma of 0.01
 C150-C147 = C82-C27 = C82-C26
 1.54 with sigma of 0.01
 C26-C27
 2.5 with sigma of 0.01
 C82-C24
 2.5 with sigma of 0.01
 C82-C23
 2.5 with sigma of 0.01
 C82-C20
 2.5 with sigma of 0.01
 C25-C82
 2.5 with sigma of 0.01
 C150-C82
 2.5 with sigma of 0.01
 C150-C20
 2.5 with sigma of 0.01
 C24-C150
 2.5 with sigma of 0.01
 C147-C27
 2.5 with sigma of 0.01
 C147-C26
 2.5 with sigma of 0.01
 C27-C21 = C26-C21
 2.5 with sigma of 0.01
 C23-C25
 2.5 with sigma of 0.01
 C21-C147
 2.5 with sigma of 0.01
 C24-C20
 2.5 with sigma of 0.01
 C28-C110 = C32-C28 = C72-C31 = C353-C31 = C31-C28 = C29-C28 = C32-C128 = C187-
 C128 = C187-C116 = C31-C187 = C116-C110
 1.54 with sigma of 0.01
 C72-C28
 2.5 with sigma of 0.01
 C72-C187
 2.5 with sigma of 0.01
 C195-C14
 2.5 with sigma of 0.01
 C195-C220
 2.5 with sigma of 0.01
 C34-C33 = C38-C33 = C38-C35 = C38-C149 = C34-C113 = C36-C113 = C38-C36 = C36-
 C340 = C36-C125
 1.54 with sigma of 0.01
 C149-C36
 2.5 with sigma of 0.01
 C149-C35
 2.5 with sigma of 0.01
 C149-C33
 2.5 with sigma of 0.01
 C38-C113
 2.5 with sigma of 0.01
 C35-C191
 1.54 with sigma of 0.01
 C191-C113
 1.54 with sigma of 0.01
 C38-C191
 2.5 with sigma of 0.01
 C36-C191
 2.5 with sigma of 0.01
 C191-C34
 2.5 with sigma of 0.01
 C125-C113 = C340-C125 = C36-C34
 2.5 with sigma of 0.01
 C113-C33
 2.5 with sigma of 0.01
 C36-C35
 2.5 with sigma of 0.01
 C113-C38
 2.2 with sigma of 0.01
 S00W-C132
 1.8 with sigma of 0.01
 C37-C132 = C37-C312 = C40-C37 = C40-C230 = C40-C298 = C40-C120 = C39-C37 =
 C39-C136 = C136-C120 = C120-C100 = C132-C100
 1.54 with sigma of 0.01
 C37-C120
 2.2 with sigma of 0.01
 C40-C39
 2.5 with sigma of 0.01
 C132-C39
 2.5 with sigma of 0.01
 C136-C100
 2.5 with sigma of 0.01
 C37-C100
 2.5 with sigma of 0.01
 C40-C132
 2.5 with sigma of 0.01
 C39-C312
 2.5 with sigma of 0.01
 C312-C132
 2.5 with sigma of 0.01
 C40-C136
 2.5 with sigma of 0.01
 C40-C100
 2.5 with sigma of 0.01
 C22-C101
 2.2 with sigma of 0.01
 C146-C101 = C41-C22
 1.54 with sigma of 0.01
 C41-C101
 2.5 with sigma of 0.01
 C247-C146
 2.5 with sigma of 0.01
 C41-C19
 2.5 with sigma of 0.01
 C101-C247
 1.54 with sigma of 0.01
 C22-C203
 1.54 with sigma of 0.01
 C203-C126 = C254-C203 = C203-C101
 1.54 with sigma of 0.01
 C325-C22
 1.54 with sigma of 0.01
 C126-C254
 2.5 with sigma of 0.01
 C45-C42 = C48-C45 = C46-C45 = C46-C44 = C44-C43 = C94-C43 = C94-C42 = C47-C43
 = C47-C45 = C63-C47 = C47-C179
 1.54 with sigma of 0.01
 C44-C94
 2.5 with sigma of 0.01
 C46-C42
 2.5 with sigma of 0.01
 C45-C94
 2.5 with sigma of 0.01
 C48-C42
 2.5 with sigma of 0.01
 C48-C46
 2.5 with sigma of 0.01
 C48-C47
 2.5 with sigma of 0.01
 C45-C44 = C47-C44
 2.5 with sigma of 0.01
 C45-C43
 2.2 with sigma of 0.01
 C179-C63
 2.5 with sigma of 0.01
 S00Q-C73
 1.8 with sigma of 0.01
 C247-C203 = C41-C203
 2.5 with sigma of 0.01
 C325-C41
 2.5 with sigma of 0.01
 C325-C19
 2.5 with sigma of 0.01
 C74-C73 = C75-C73 = C79-C156 = C75-C156 = C80-C156 = C80-C117 = C80-C347 =
 C80-C74 = C77-C74 = C78-C74 = C79-C78
 1.54 with sigma of 0.01
 C93-C137
 2.5 with sigma of 0.01
 Cl54-C193 = Cl42-C193
 1.76 with sigma of 0.01
 C86-C58
 2.5 with sigma of 0.01
 C89-C58
 2.5 with sigma of 0.01
 C9-C8
 2.5 with sigma of 0.01
 C9-C104
 2.5 with sigma of 0.01
 C353-C72
 2.5 with sigma of 0.01
 C31-C128
 2.5 with sigma of 0.01
 C32-C31
 2.5 with sigma of 0.01
 C31-C29
 2.5 with sigma of 0.01
 C17-C15
 2.2 with sigma of 0.01
 C24-C23 = C23-C21
 1.54 with sigma of 0.01
 C25-C20 = C25-C21
 1.54 with sigma of 0.01
 C21-C20
 2.5 with sigma of 0.01
 S00Y-C20
 1.8 with sigma of 0.01
 C58-C6
 2.5 with sigma of 0.01
 C58-C7
 2.5 with sigma of 0.01
 C108-C14
 2.5 with sigma of 0.01
 C123-C59
 2.5 with sigma of 0.01
 C83-C71
 2.5 with sigma of 0.01
 C32-C110
 2.5 with sigma of 0.01
 C18-C13
 2.5 with sigma of 0.01
 C18-C130
 2.5 with sigma of 0.01
 S00M-C49
 1.8 with sigma of 0.01
 C52-C49 = C51-C49
 1.54 with sigma of 0.01
 C87-C51 = C51-C49 = C52-C49 = C61-C52 = C53-C52 = C98-C53 = C54-C53 = C52-
 C105 = C87-C53 = C87-C56 = C56-C105
 1.54 with sigma of 0.01
 C61-C49
 2.5 with sigma of 0.01
 C61-C105
 2.5 with sigma of 0.01
 C56-C52
 2.5 with sigma of 0.01
 C87-C105
 2.5 with sigma of 0.01
 C52-C87
 2.2 with sigma of 0.01
 C56-C51
 2.5 with sigma of 0.01
 C105-C49
 2.5 with sigma of 0.01
 C86-C6
 2.5 with sigma of 0.01
 C7-C89
 2.5 with sigma of 0.01
 C90-C11
 2.5 with sigma of 0.01
 C340-C38
 2.5 with sigma of 0.01
 C113-C340
 2.5 with sigma of 0.01
 C298-C37 \\sim C298-C120
 with sigma of 0.02
 C230-C37 \\sim C230-C120
 with sigma of 0.02
 C126-C22 \\sim C126-C101
 with sigma of 0.02
 C254-C22 \\sim C254-C101
 with sigma of 0.02
 C47-C46 \\sim C47-C42
 with sigma of 0.02
 C179-C46 \\sim C179-C44
 with sigma of 0.02
2. Rigid bond restraints
 C193, Cl42, Cl54
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
3. Uiso/Uaniso restraints and constraints
C34 \\sim C33 \\sim C36 \\sim C35 \\sim C113 \\sim C125 \\sim C149 \\sim C38
\\sim C340 \\sim C191: within 1.7A with sigma of 0.004 and sigma for terminal
atoms of 0.008 within 1.7A
C13 \\sim C251 \\sim C16 \\sim C95 \\sim C124 \\sim C17 \\sim C130 \\sim C15
\\sim C351 \\sim C18: within 1.7A with sigma of 0.004 and sigma for terminal
atoms of 0.008 within 1.7A
C132 \\sim C37 \\sim C100 \\sim C39 \\sim C120 \\sim C40 \\sim C136 \\sim C230
\\sim C298 \\sim C312: within 1.7A with sigma of 0.004 and sigma for terminal
atoms of 0.008 within 1.7A
C19 \\sim C146 \\sim C22 \\sim C41 \\sim C101 \\sim C247 \\sim C126 \\sim C203
\\sim C254 \\sim C325: within 1.7A with sigma of 0.004 and sigma for terminal
atoms of 0.008 within 1.7A
C20 \\sim C82 \\sim C21 \\sim C23 \\sim C147 \\sim C24 \\sim C25 \\sim C27
\\sim C26 \\sim C150: within 1.7A with sigma of 0.004 and sigma for terminal
atoms of 0.008 within 1.7A
C48 \\sim C42 \\sim C45 \\sim C46 \\sim C44 \\sim C94 \\sim C43 \\sim C179
\\sim C63 \\sim C47: within 1.7A with sigma of 0.004 and sigma for terminal
atoms of 0.008 within 1.7A
C30 \\sim C188 \\sim C167 \\sim C4 \\sim C127 \\sim C60: within 1.7A with sigma
of 0.004 and sigma for terminal atoms of 0.008 within 1.7A
C59 \\sim C212 \\sim C166 \\sim C71 \\sim C123 \\sim C5 \\sim C181 \\sim C211
\\sim C83 \\sim C111: within 1.7A with sigma of 0.004 and sigma for terminal
atoms of 0.008 within 1.7A
C14 \\sim C93 \\sim C11 \\sim C108 \\sim C162 \\sim C137 \\sim C12 \\sim C195
\\sim C220 \\sim C90: within 1.7A with sigma of 0.004 and sigma for terminal
atoms of 0.008 within 1.7A
C74 \\sim C77 \\sim C73 \\sim C117 \\sim C75 \\sim C156 \\sim C80 \\sim C78
\\sim C79 \\sim C347: within 1.7A with sigma of 0.004 and sigma for terminal
atoms of 0.008 within 1.7A
C108 \\sim C90 \\sim C14 \\sim C137 \\sim C195 \\sim C220 \\sim C12 \\sim C162
\\sim C93 \\sim C11: within 1.7A with sigma of 0.004 and sigma for terminal
atoms of 0.008 within 1.7A
C9 \\sim C58 \\sim C8 \\sim C68 \\sim C10 \\sim C6 \\sim C7 \\sim C104 \\sim
C89 \\sim C86: within 1.7A with sigma of 0.004 and sigma for terminal atoms of
0.008 within 1.7A
C353 \\sim C31 \\sim C72 \\sim C29 \\sim C28 \\sim C187 \\sim C128 \\sim C116
\\sim C32 \\sim C110: within 1.7A with sigma of 0.004 and sigma for terminal
atoms of 0.008 within 1.7A
C121 \\sim C170 \\sim C85 \\sim C129 \\sim C1 \\sim C201: within 1.7A with
sigma of 0.004 and sigma for terminal atoms of 0.008 within 1.7A
C50 \\sim C141 \\sim C3 \\sim C99 \\sim C66 \\sim C65: within 1.7A with sigma
of 0.004 and sigma for terminal atoms of 0.008 within 1.7A
C69 \\sim C106 \\sim C183 \\sim C76 \\sim C55 \\sim C67 \\sim C235 \\sim C151
\\sim C158 \\sim C119: within 1.7A with sigma of 0.004 and sigma for terminal
atoms of 0.008 within 1.7A
C276 \\sim C2 \\sim C88 \\sim C70 \\sim C57 \\sim C199: within 1.7A with sigma
of 0.004 and sigma for terminal atoms of 0.008 within 1.7A
Uanis(C62) \\sim Ueq, Uanis(C55) \\sim Ueq, Uanis(C67) \\sim Ueq, Uanis(C69)
\\sim Ueq, Uanis(C76) \\sim Ueq, Uanis(C119) \\sim Ueq, Uanis(C151) \\sim Ueq,
Uanis(C158) \\sim Ueq, Uanis(C235) \\sim Ueq, Uanis(C183) \\sim Ueq,
Uanis(C170) \\sim Ueq, Uanis(C85) \\sim Ueq, Uanis(C129) \\sim Ueq, Uanis(C1)
\\sim Ueq, Uanis(C201) \\sim Ueq, Uanis(C121) \\sim Ueq, Uanis(C276) \\sim Ueq,
Uanis(C199) \\sim Ueq, Uanis(C57) \\sim Ueq, Uanis(C88) \\sim Ueq, Uanis(C70)
\\sim Ueq, Uanis(C2) \\sim Ueq, Uanis(C3) \\sim Ueq, Uanis(C141) \\sim Ueq,
Uanis(C50) \\sim Ueq, Uanis(C65) \\sim Ueq, Uanis(C66) \\sim Ueq, Uanis(C99)
\\sim Ueq, Uanis(C167) \\sim Ueq, Uanis(C188) \\sim Ueq, Uanis(C30) \\sim Ueq,
Uanis(C60) \\sim Ueq, Uanis(C127) \\sim Ueq, Uanis(C4) \\sim Ueq, Uanis(C59)
\\sim Ueq, Uanis(C71) \\sim Ueq, Uanis(C83) \\sim Ueq, Uanis(C111) \\sim Ueq,
Uanis(C123) \\sim Ueq, Uanis(C5) \\sim Ueq, Uanis(C166) \\sim Ueq, Uanis(C181)
\\sim Ueq, Uanis(C212) \\sim Ueq, Uanis(C58) \\sim Ueq, Uanis(C8) \\sim Ueq,
Uanis(C7) \\sim Ueq, Uanis(C68) \\sim Ueq, Uanis(C6) \\sim Ueq, Uanis(C104)
\\sim Ueq, Uanis(C211) \\sim Ueq, Uanis(C10) \\sim Ueq, Uanis(C86) \\sim Ueq,
Uanis(C89) \\sim Ueq, Uanis(C9) \\sim Ueq, Uanis(C13) \\sim Ueq, Uanis(C251)
\\sim Ueq, Uanis(C220) \\sim Ueq, Uanis(C12) \\sim Ueq, Uanis(C90) \\sim Ueq,
Uanis(C93) \\sim Ueq, Uanis(C108) \\sim Ueq, Uanis(C137) \\sim Ueq, Uanis(C162)
\\sim Ueq, Uanis(C14) \\sim Ueq, Uanis(C11) \\sim Ueq, Uanis(C195) \\sim Ueq,
Uanis(C18) \\sim Ueq, Uanis(C16) \\sim Ueq, Uanis(C95) \\sim Ueq, Uanis(C124)
\\sim Ueq, Uanis(C17) \\sim Ueq, Uanis(C130) \\sim Ueq, Uanis(C15) \\sim Ueq,
Uanis(C351) \\sim Ueq, Uanis(C19) \\sim Ueq, Uanis(C146) \\sim Ueq, Uanis(C22)
\\sim Ueq, Uanis(C20) \\sim Ueq, Uanis(C82) \\sim Ueq, Uanis(C21) \\sim Ueq,
Uanis(C23) \\sim Ueq, Uanis(C147) \\sim Ueq, Uanis(C24) \\sim Ueq, Uanis(C25)
\\sim Ueq, Uanis(C27) \\sim Ueq, Uanis(C26) \\sim Ueq, Uanis(C150) \\sim Ueq,
Uanis(C29) \\sim Ueq, Uanis(C28) \\sim Ueq, Uanis(C32) \\sim Ueq, Uanis(C110)
\\sim Ueq, Uanis(C116) \\sim Ueq, Uanis(C128) \\sim Ueq, Uanis(C31) \\sim Ueq,
Uanis(C187) \\sim Ueq, Uanis(C72) \\sim Ueq, Uanis(C353) \\sim Ueq, Uanis(C34)
\\sim Ueq, Uanis(C33) \\sim Ueq, Uanis(C36) \\sim Ueq, Uanis(C35) \\sim Ueq,
Uanis(C113) \\sim Ueq, Uanis(C125) \\sim Ueq, Uanis(C149) \\sim Ueq, Uanis(C38)
\\sim Ueq, Uanis(C340) \\sim Ueq, Uanis(C191) \\sim Ueq, Uanis(C132) \\sim Ueq,
Uanis(C37) \\sim Ueq, Uanis(C100) \\sim Ueq, Uanis(C39) \\sim Ueq, Uanis(C120)
\\sim Ueq, Uanis(C40) \\sim Ueq, Uanis(C136) \\sim Ueq, Uanis(C230) \\sim Ueq,
Uanis(C298) \\sim Ueq, Uanis(C312) \\sim Ueq, Uanis(C41) \\sim Ueq, Uanis(C101)
\\sim Ueq, Uanis(C247) \\sim Ueq, Uanis(C126) \\sim Ueq, Uanis(C203) \\sim Ueq,
Uanis(C254) \\sim Ueq, Uanis(C325) \\sim Ueq, Uanis(C63) \\sim Ueq, Uanis(C46)
\\sim Ueq, Uanis(C42) \\sim Ueq, Uanis(C48) \\sim Ueq, Uanis(C45) \\sim Ueq,
Uanis(C47) \\sim Ueq, Uanis(C94) \\sim Ueq, Uanis(C43) \\sim Ueq, Uanis(C44)
\\sim Ueq, Uanis(C179) \\sim Ueq, Uanis(C73) \\sim Ueq, Uanis(C106) \\sim Ueq,
Uanis(C75) \\sim Ueq, Uanis(C77) \\sim Ueq, Uanis(C74) \\sim Ueq, Uanis(C78)
\\sim Ueq, Uanis(C79) \\sim Ueq, Uanis(C117) \\sim Ueq, Uanis(C80) \\sim Ueq,
Uanis(C156) \\sim Ueq, Uanis(C347) \\sim Ueq, Uanis(C193) \\sim Ueq, Uanis(C49)
\\sim Ueq, Uanis(C52) \\sim Ueq, Uanis(C51) \\sim Ueq, Uanis(C53) \\sim Ueq,
Uanis(C61) \\sim Ueq, Uanis(C54) \\sim Ueq, Uanis(C87) \\sim Ueq, Uanis(C56)
\\sim Ueq, Uanis(C98) \\sim Ueq, Uanis(C105) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.02
4. Rigid body (RIGU) restrains
 S00W, C132, C37, C312, C39, C230, C40, C298, C120, C100, C136
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 S00U, C19, C146, C247, C41, C203, C254, C325, C22, C126, C101
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 S00Q, C73, C75, C117, C80, C156, C79, C347, C78, C74, C77
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 S00S, C42, C63, C45, C48, C94, C47, C43, C179, C44, C46
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 S00M, C49, C52, C61, C105, C54, C53, C98, C87, C51, C56
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
5. Others
 Fixed Sof: Cl54(0.5) Cl42(0.5) C193(0.5) H19F(0.5) H19G(0.5)
6.a Riding coordinates:
 C55(H55A,H55B,H55C), C111(H11D,H11E,H11F), C5(H5A,H5B,H5C), C68(H68A,H68B,
 H68C), C211(H21C,H21D,H21E), C10(H10A,H10B,H10C), C9(H9A,H9B,H9C), C90(H90A,
 H90B,H90C), C11(H11G,H11H,H11I), C195(H19A,H19B,H19C), C18(H18A,H18B,H18C),
 C16(H16C,H16D,H16E), C124(H12E,H12F,H12G), C27(H27A,H27B,H27C), C26(H26A,H26B,
 H26C), C150(H15E,H15F,H15G), C29(H29A,H29B,H29C), C72(H72A,H72B,H72C),
 C353(H35C,H35D,H35E), C125(H12J,H12K,H12L), C149(H14E,H14F,H14G), C340(H34C,
 H34D,H34E), C230(H23F,H23G,H23H), C298(H29D,H29E,H29F), C312(H31A,H31B,H31C),
 C126(H12M,H12N,H12O), C325(H32C,H32D,H32E), C63(H63A,H63B,H63C), C48(H48A,H48B,
 H48C), C179(H17A,H17B,H17C), C77(H77A,H77B,H77C), C117(H11L,H11M,H11N),
 C347(H34F,H34G,H34H)
6.b Ternary CH refined with riding coordinates:
 C67(H67), C69(H69), C59(H59), C71(H71), C6(H6), C104(H104), C13(H13),
 C220(H220), C162(H162), C17(H17), C19(H19), C20(H20), C21(H21), C110(H110),
 C187(H187), C33(H33), C113(H113), C132(H132), C120(H120), C101(H101), C42(H42),
  C43(H43), C73(H73), C156(H156), C49(H49), C87(H87)
6.c Secondary CH2 refined with riding coordinates:
 C62(H62A,H62B), C151(H15A,H15B), C158(H15C,H15D), C123(H12A,H12B), C166(H16A,
 H16B), C212(H21A,H21B), C7(H7A,H7B), C86(H86A,H86B), C89(H89A,H89B), C251(H25A,
 H25B), C12(H12C,H12D), C93(H93A,H93B), C14(H14A,H14B), C130(H13A,H13B),
 C351(H35A,H35B), C146(H14C,H14D), C23(H23D,H23E), C24(H24A,H24B), C25(H25C,
 H25D), C32(H32A,H32B), C116(H11J,H11K), C128(H12H,H12I), C34(H34A,H34B),
 C35(H35F,H35G), C191(H19D,H19E), C100(H10D,H10E), C39(H39A,H39B), C136(H13C,
 H13D), C41(H41A,H41B), C247(H24C,H24D), C46(H46A,H46B), C94(H94A,H94B),
 C44(H44A,H44B), C106(H10F,H10G), C75(H75A,H75B), C78(H78A,H78B), C79(H79A,
 H79B), C193(H19F,H19G), C51(H51A,H51B), C56(H56A,H56B), C105(H10H,H10I)
6.d Aromatic/amide H refined with riding coordinates:
 C170(H170), C85(H85), C129(H129), C1(H1), C201(H201), C276(H276), C199(H199),
 C88(H88), C70(H70), C2(H2), C3(H3), C141(H141), C65(H65), C66(H66), C99(H99),
 C167(H167), C188(H188), C60(H60), C127(H127), C4(H4)
6.e Fitted hexagon refined as free rotating group:
 C170(C85,C129,C1,C201,C121), C276(C199,C57,C88,C70,C2), C3(C141,C50,C65,C66,
 C99), C167(C188,C30,C60,C127,C4)
6.f Idealised Me refined as rotating group:
 C119(H11A,H11B,H11C), C235(H23A,H23B,H23C), C254(H25E,H25F,H25G), C61(H61A,
 H61B,H61C), C54(H54A,H54B,H54C), C98(H98A,H98B,H98C)
;
_atom_sites_solution_hydrogens   mixed
_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 0.85689(10) 0.56517(10) 0.60204(4) 0.0711(5) Uani 1 1 d . . . . .
Au02 Au 0.73041(11) 0.62046(10) 0.60664(4) 0.0705(5) Uani 1 1 d . . . . .
Au03 Au 0.75385(11) 0.54423(10) 0.55814(4) 0.0699(5) Uani 1 1 d . . . . .
Au04 Au 0.74439(10) 0.49818(10) 0.61680(4) 0.0706(5) Uani 1 1 d . . . . .
Au05 Au 0.86793(10) 0.44349(11) 0.63200(4) 0.0727(5) Uani 1 1 d . . . . .
Au06 Au 0.85155(13) 0.67587(11) 0.64219(4) 0.0790(6) Uani 1 1 d . . . . .
Au07 Au 0.82714(11) 0.53442(11) 0.66659(4) 0.0754(6) Uani 1 1 d . . . . .
Au08 Au 0.61754(11) 0.52805(11) 0.59710(4) 0.0763(6) Uani 1 1 d . . . . .
Au09 Au 0.62948(12) 0.49016(12) 0.65752(5) 0.0794(6) Uani 1 1 d . . . . .
Au0A Au 0.83358(13) 0.67174(11) 0.56269(4) 0.0808(6) Uani 1 1 d . . . . .
Au0B Au 0.98488(11) 0.51623(12) 0.64812(5) 0.0787(6) Uani 1 1 d . . . . .
Au0C Au 0.80148(12) 0.34209(11) 0.60073(5) 0.0795(6) Uani 1 1 d . . . . .
Au0D Au 0.59474(12) 0.37103(13) 0.67722(5) 0.0827(6) Uani 1 1 d . . . . .
Au0E Au 0.65272(11) 0.41012(11) 0.61237(5) 0.0788(6) Uani 1 1 d . . . . .
Au0F Au 0.50352(12) 0.41399(12) 0.60697(5) 0.0828(6) Uani 1 1 d . . . . .
Au0G Au 0.61963(12) 0.45132(12) 0.54303(6) 0.0857(7) Uani 1 1 d . . . . .
Au0H Au 0.75809(12) 0.43029(13) 0.67188(5) 0.0840(7) Uani 1 1 d . . . . .
Au0I Au 0.89925(15) 0.47441(15) 0.71791(6) 0.1002(9) Uani 1 1 d . . . . .
Au0J Au 0.71409(15) 0.51573(17) 0.72358(6) 0.1053(9) Uani 1 1 d . . . . .
S00K S 0.9154(7) 0.3760(7) 0.5957(3) 0.083(3) Uani 1 1 d . . . . .
S00L S 0.8990(8) 0.7230(6) 0.5993(2) 0.081(3) Uani 1 1 d . . . . .
S00M S 0.8137(6) 0.6297(6) 0.6865(2) 0.071(3) Uani 1 1 d D . . . .
S00N S 0.6896(6) 0.3133(7) 0.6057(3) 0.079(3) Uani 1 1 d . . . . .
S00O S 0.5048(8) 0.4500(6) 0.5576(3) 0.076(3) Uani 1 1 d . . . . .
S00P S 0.4841(7) 0.3765(8) 0.6558(3) 0.093(4) Uani 1 1 d D . . . .
S00Q S 0.7590(9) 0.6363(7) 0.5251(4) 0.092(4) Uani 1 1 d D . . . .
P00R P 0.5399(7) 0.6037(7) 0.5926(3) 0.082(4) Uani 1 1 d . . . . .
S00S S 0.9788(7) 0.5779(7) 0.6049(3) 0.085(3) Uani 1 1 d . . . . .
P00T P 0.6485(7) 0.6874(6) 0.6223(3) 0.073(3) Uani 1 1 d . . . . .
S00U S 0.6085(9) 0.5425(10) 0.7031(4) 0.104(4) Uani 1 1 d . . . . .
S00V S 0.7008(9) 0.3605(9) 0.7019(4) 0.105(6) Uani 1 1 d D . . . .
S00W S 1.0009(9) 0.4577(7) 0.6905(3) 0.092(4) Uani 1 1 d D . . . .
S00X S 0.7227(9) 0.4774(8) 0.5187(4) 0.097(4) Uani 1 1 d . . . . .
S00Y S 0.8128(9) 0.4991(14) 0.7530(3) 0.138(10) Uani 1 1 d D . . . .
C62 C 0.559(2) 0.656(3) 0.6236(12) 0.073(12) Uani 1 1 d . U . . .
H62A H 0.552709 0.636800 0.643948 0.088 Uiso 1 1 calc R U . . .
H62B H 0.525201 0.688720 0.622415 0.088 Uiso 1 1 calc R U . . .
C55 C 0.338(4) 0.432(3) 0.5556(14) 0.109(8) Uani 1 1 d D U . . .
H55A H 0.288880 0.425398 0.552497 0.164 Uiso 1 1 d R U . . .
H55B H 0.346730 0.473528 0.555037 0.164 Uiso 1 1 d R U . . .
H55C H 0.351440 0.417078 0.575527 0.164 Uiso 1 1 d R U . . .
C67 C 0.414(3) 0.392(2) 0.4807(10) 0.108(6) Uani 1 1 d D U . . .
H67 H 0.418887 0.399890 0.457960 0.130 Uiso 1 1 calc R U . . .
C69 C 0.459(2) 0.396(3) 0.5327(13) 0.108(7) Uani 1 1 d D U . . .
H69 H 0.466188 0.357216 0.542470 0.129 Uiso 1 1 calc R U . . .
C76 C 0.369(2) 0.4371(18) 0.4982(12) 0.108(6) Uani 1 1 d D U . . .
C119 C 0.403(4) 0.498(2) 0.4982(18) 0.105(8) Uani 1 1 d D U . . .
H11A H 0.446796 0.496626 0.510220 0.157 Uiso 1 1 calc R U . . .
H11B H 0.371500 0.526362 0.507472 0.157 Uiso 1 1 calc R U . . .
H11C H 0.413925 0.509487 0.476735 0.157 Uiso 1 1 calc R U . . .
C151 C 0.375(4) 0.335(3) 0.4883(14) 0.108(7) Uani 1 1 d D U . . .
H15A H 0.407932 0.301035 0.487565 0.130 Uiso 1 1 calc R U . . .
H15B H 0.336828 0.327651 0.473495 0.130 Uiso 1 1 calc R U . . .
C158 C 0.347(3) 0.344(3) 0.5214(14) 0.108(7) Uani 1 1 d D U . . .
H15C H 0.364135 0.313282 0.535864 0.130 Uiso 1 1 calc R U . . .
H15D H 0.295728 0.345049 0.521840 0.130 Uiso 1 1 calc R U . . .
C235 C 0.295(3) 0.441(4) 0.4846(17) 0.109(8) Uani 1 1 d D U . . .
H23A H 0.295591 0.427516 0.462984 0.163 Uiso 1 1 calc R U . . .
H23B H 0.278520 0.481213 0.485510 0.163 Uiso 1 1 calc R U . . .
H23C H 0.263577 0.415828 0.496754 0.163 Uiso 1 1 calc R U . . .
C183 C 0.379(2) 0.404(2) 0.5290(10) 0.108(6) Uani 1 1 d D U . . .
C170 C 0.396(2) 0.605(2) 0.5862(9) 0.101(7) Uani 1 1 d G U . . .
H170 H 0.403266 0.631032 0.569259 0.121 Uiso 1 1 calc R U . . .
C85 C 0.3282(18) 0.588(2) 0.5939(10) 0.102(7) Uani 1 1 d G U . . .
H85 H 0.289677 0.602724 0.582294 0.122 Uiso 1 1 calc R U . . .
C129 C 0.3170(16) 0.551(2) 0.6187(11) 0.102(7) Uani 1 1 d G U . . .
H129 H 0.270857 0.539095 0.623982 0.122 Uiso 1 1 calc R U . . .
C1 C 0.373(2) 0.530(2) 0.6357(9) 0.101(7) Uani 1 1 d G U . . .
H1 H 0.365627 0.503772 0.652635 0.121 Uiso 1 1 calc R U . . .
C201 C 0.4407(18) 0.546(2) 0.6280(10) 0.100(7) Uani 1 1 d G U . . .
H201 H 0.479216 0.532078 0.639600 0.121 Uiso 1 1 calc R U . . .
C121 C 0.4519(16) 0.584(2) 0.6032(11) 0.100(7) Uani 1 1 d G U . . .
C276 C 0.583(2) 0.8467(19) 0.5878(12) 0.111(8) Uani 1 1 d G U . . .
H276 H 0.552168 0.877228 0.593405 0.133 Uiso 1 1 calc R U . . .
C199 C 0.591(2) 0.799(2) 0.6073(9) 0.110(8) Uani 1 1 d G U . . .
H199 H 0.565932 0.796578 0.626185 0.132 Uiso 1 1 calc R U . . .
C57 C 0.637(3) 0.7541(18) 0.5991(11) 0.110(8) Uani 1 1 d G U . . .
C88 C 0.674(2) 0.7573(19) 0.5715(11) 0.110(8) Uani 1 1 d G U . . .
H88 H 0.705314 0.726776 0.565908 0.132 Uiso 1 1 calc R U . . .
C70 C 0.666(2) 0.805(2) 0.5520(9) 0.110(8) Uani 1 1 d G U . . .
H70 H 0.691551 0.807425 0.533127 0.132 Uiso 1 1 calc R U . . .
C2 C 0.621(3) 0.8499(19) 0.5602(11) 0.110(8) Uani 1 1 d G U . . .
H2 H 0.614978 0.882652 0.546875 0.132 Uiso 1 1 calc R U . . .
C3 C 0.509(2) 0.7284(14) 0.5257(10) 0.100(7) Uani 1 1 d G U . . .
H3 H 0.496561 0.768494 0.524011 0.120 Uiso 1 1 calc R U . . .
C141 C 0.514(2) 0.7025(18) 0.5548(8) 0.099(7) Uani 1 1 d G U . . .
H141 H 0.505872 0.724901 0.572999 0.119 Uiso 1 1 calc R U . . .
C50 C 0.532(2) 0.6438(19) 0.5573(7) 0.098(7) Uani 1 1 d G U . . .
C65 C 0.544(2) 0.6110(14) 0.5306(10) 0.098(7) Uani 1 1 d G U . . .
H65 H 0.555578 0.570921 0.532292 0.117 Uiso 1 1 calc R U . . .
C66 C 0.538(2) 0.6369(18) 0.5015(8) 0.099(7) Uani 1 1 d G U . . .
H66 H 0.546269 0.614513 0.483303 0.118 Uiso 1 1 calc R U . . .
C99 C 0.521(2) 0.6956(18) 0.4991(8) 0.100(7) Uani 1 1 d G U . . .
H99 H 0.516761 0.713299 0.479163 0.120 Uiso 1 1 calc R U . . .
C167 C 0.642(2) 0.722(2) 0.7154(8) 0.100(7) Uani 1 1 d G U . . .
H167 H 0.621145 0.705545 0.733366 0.120 Uiso 1 1 calc R U . . .
C188 C 0.632(2) 0.6962(17) 0.6865(10) 0.100(7) Uani 1 1 d G U . . .
H188 H 0.605213 0.661530 0.684825 0.119 Uiso 1 1 calc R U . . .
C30 C 0.662(2) 0.721(2) 0.6602(8) 0.099(7) Uani 1 1 d G U . . .
C60 C 0.701(2) 0.772(2) 0.6627(8) 0.100(7) Uani 1 1 d G U . . .
H60 H 0.721842 0.788311 0.644652 0.119 Uiso 1 1 calc R U . . .
C127 C 0.711(2) 0.7977(17) 0.6915(10) 0.100(7) Uani 1 1 d G U . . .
H127 H 0.737774 0.832327 0.693192 0.120 Uiso 1 1 calc R U . . .
C4 C 0.681(2) 0.773(2) 0.7178(8) 0.100(7) Uani 1 1 d G U . . .
H4 H 0.687426 0.790945 0.737549 0.120 Uiso 1 1 calc R U . . .
C59 C 0.975(2) 0.330(2) 0.6195(14) 0.121(8) Uani 1 1 d D U . . .
H59 H 0.950580 0.321447 0.639513 0.145 Uiso 1 1 calc R U . . .
C71 C 1.1051(18) 0.3138(18) 0.6179(9) 0.121(8) Uani 1 1 d D U . . .
H71 H 1.153430 0.329224 0.614906 0.146 Uiso 1 1 calc R U . . .
C83 C 0.9962(17) 0.2680(18) 0.6050(9) 0.121(8) Uani 1 1 d D U . . .
C111 C 1.057(3) 0.329(2) 0.5641(9) 0.123(9) Uani 1 1 d D U . . .
H11D H 1.096715 0.353725 0.562720 0.184 Uiso 1 1 d R U . . .
H11E H 1.050035 0.308875 0.544690 0.184 Uiso 1 1 d R U . . .
H11F H 1.016075 0.351735 0.568720 0.184 Uiso 1 1 d R U . . .
C123 C 1.024(3) 0.234(2) 0.6348(11) 0.121(8) Uani 1 1 d D U . . .
H12A H 0.990258 0.237278 0.652230 0.146 Uiso 1 1 calc R U . . .
H12B H 1.030686 0.191874 0.630071 0.146 Uiso 1 1 calc R U . . .
C5 C 0.954(3) 0.233(4) 0.5811(14) 0.121(9) Uani 1 1 d D U . . .
H5A H 0.910202 0.226395 0.591327 0.182 Uiso 1 1 d R U . . .
H5B H 0.946892 0.257075 0.563207 0.182 Uiso 1 1 d R U . . .
H5C H 0.973432 0.196145 0.574787 0.182 Uiso 1 1 d R U . . .
C166 C 1.095(3) 0.264(2) 0.6433(10) 0.121(8) Uani 1 1 d D U . . .
H16A H 1.133694 0.235003 0.642254 0.146 Uiso 1 1 calc R U . . .
H16B H 1.093286 0.280309 0.664476 0.146 Uiso 1 1 calc R U . . .
C181 C 1.0682(18) 0.2843(17) 0.5885(7) 0.122(8) Uani 1 1 d D U . . .
C212 C 1.046(3) 0.359(2) 0.6281(13) 0.121(8) Uani 1 1 d D U . . .
H21A H 1.048767 0.367330 0.650665 0.146 Uiso 1 1 calc R U . . .
H21B H 1.051835 0.396707 0.616718 0.146 Uiso 1 1 calc R U . . .
C58 C 0.6049(18) 0.1846(14) 0.5753(7) 0.097(6) Uani 1 1 d D U . . .
C8 C 0.6691(14) 0.2164(15) 0.5616(8) 0.096(5) Uani 1 1 d D U . . .
C7 C 0.580(2) 0.2893(13) 0.5638(12) 0.096(6) Uani 1 1 d D U . . .
H7A H 0.567472 0.317958 0.547444 0.115 Uiso 1 1 calc R U . . .
H7B H 0.556831 0.300094 0.583549 0.115 Uiso 1 1 calc R U . . .
C68 C 0.743(2) 0.198(3) 0.5725(15) 0.096(8) Uani 1 1 d D U . . .
H68A H 0.775529 0.227748 0.567024 0.145 Uiso 1 1 d R U . . .
H68B H 0.755129 0.162058 0.562414 0.145 Uiso 1 1 d R U . . .
H68C H 0.743149 0.192308 0.594634 0.145 Uiso 1 1 d R U . . .
C6 C 0.659(2) 0.2824(14) 0.5674(12) 0.095(6) Uani 1 1 d D U . . .
H6 H 0.682854 0.304346 0.550298 0.114 Uiso 1 1 calc R U . . .
C104 C 0.5630(16) 0.2261(14) 0.5539(8) 0.096(6) Uani 1 1 d D U . . .
H104 H 0.511856 0.218046 0.555300 0.116 Uiso 1 1 calc R U . . .
C211 C 1.106(3) 0.231(2) 0.5795(12) 0.124(9) Uani 1 1 d D U . . .
H21C H 1.076906 0.204584 0.567878 0.186 Uiso 1 1 d R U . . .
H21D H 1.123106 0.211174 0.597758 0.186 Uiso 1 1 d R U . . .
H21E H 1.144896 0.242534 0.566848 0.186 Uiso 1 1 d R U . . .
C10 C 0.589(4) 0.192(3) 0.6101(8) 0.102(8) Uani 1 1 d D U . . .
H10A H 0.539842 0.187443 0.613646 0.153 Uiso 1 1 d R U . . .
H10B H 0.614242 0.162933 0.621306 0.153 Uiso 1 1 d R U . . .
H10C H 0.603182 0.230263 0.617176 0.153 Uiso 1 1 d R U . . .
C86 C 0.668(2) 0.207(2) 0.5261(8) 0.096(6) Uani 1 1 d D U . . .
H86A H 0.698034 0.235078 0.514952 0.115 Uiso 1 1 calc R U . . .
H86B H 0.682619 0.166350 0.520438 0.115 Uiso 1 1 calc R U . . .
C89 C 0.590(2) 0.217(2) 0.5204(7) 0.096(6) Uani 1 1 d D U . . .
H89A H 0.567713 0.183158 0.510376 0.115 Uiso 1 1 calc R U . . .
H89B H 0.582266 0.252369 0.507518 0.115 Uiso 1 1 calc R U . . .
C9 C 0.602(3) 0.1230(12) 0.5610(12) 0.101(8) Uani 1 1 d D U . . .
H9A H 0.600928 0.097109 0.578615 0.152 Uiso 1 1 d R U . . .
H9B H 0.641508 0.114209 0.548305 0.152 Uiso 1 1 d R U . . .
H9C H 0.559878 0.117969 0.549125 0.152 Uiso 1 1 d R U . . .
C13 C 0.726(3) 0.2883(17) 0.690(2) 0.163(12) Uani 1 1 d D U . . .
H13 H 0.728726 0.290509 0.666642 0.196 Uiso 1 1 calc R U . . .
C251 C 0.671(3) 0.241(3) 0.696(2) 0.164(12) Uani 1 1 d D U . . .
H25A H 0.647855 0.227019 0.677253 0.196 Uiso 1 1 calc R U . . .
H25B H 0.635357 0.254187 0.711565 0.196 Uiso 1 1 calc R U . . .
C220 C 0.458(4) 0.3020(14) 0.6493(11) 0.119(7) Uani 1 1 d D U . . .
H220 H 0.501694 0.279035 0.646471 0.143 Uiso 1 1 calc R U . . .
C12 C 0.413(3) 0.291(4) 0.6202(13) 0.119(8) Uani 1 1 d D U . . .
H12C H 0.440315 0.271539 0.603592 0.143 Uiso 1 1 calc R U . . .
H12D H 0.392270 0.327183 0.612130 0.143 Uiso 1 1 calc R U . . .
C90 C 0.312(4) 0.347(2) 0.6608(19) 0.122(9) Uani 1 1 d D U . . .
H90A H 0.350289 0.371969 0.653134 0.182 Uiso 1 1 d R U . . .
H90B H 0.298439 0.360089 0.681574 0.182 Uiso 1 1 d R U . . .
H90C H 0.272379 0.349969 0.646664 0.182 Uiso 1 1 d R U . . .
C93 C 0.383(4) 0.187(2) 0.6387(15) 0.120(8) Uani 1 1 d D U . . .
H93A H 0.412436 0.172183 0.621411 0.143 Uiso 1 1 calc R U . . .
H93B H 0.345339 0.158804 0.643384 0.143 Uiso 1 1 calc R U . . .
C108 C 0.340(2) 0.285(2) 0.6630(12) 0.120(7) Uani 1 1 d D U . . .
C137 C 0.414(2) 0.2693(17) 0.6739(11) 0.119(7) Uani 1 1 d D U . . .
C162 C 0.357(3) 0.249(2) 0.6333(12) 0.119(7) Uani 1 1 d D U . . .
H162 H 0.314952 0.248945 0.619299 0.143 Uiso 1 1 calc R U . . .
C14 C 0.426(3) 0.204(2) 0.6677(13) 0.120(7) Uani 1 1 d D U . . .
H14A H 0.476460 0.195843 0.664011 0.143 Uiso 1 1 calc R U . . .
H14B H 0.411049 0.180313 0.685840 0.143 Uiso 1 1 calc R U . . .
C11 C 0.298(4) 0.251(3) 0.6874(18) 0.121(9) Uani 1 1 d D U . . .
H11G H 0.284658 0.217130 0.675360 0.182 Uiso 1 1 d R U . . .
H11H H 0.328808 0.238830 0.703780 0.182 Uiso 1 1 d R U . . .
H11I H 0.257108 0.268440 0.696120 0.182 Uiso 1 1 d R U . . .
C195 C 0.444(4) 0.284(3) 0.7062(10) 0.117(9) Uani 1 1 d D U . . .
H19A H 0.433245 0.253426 0.720640 0.176 Uiso 1 1 d R U . . .
H19B H 0.424895 0.320266 0.713760 0.176 Uiso 1 1 d R U . . .
H19C H 0.493405 0.287726 0.704000 0.176 Uiso 1 1 d R U . . .
C18 C 0.850(4) 0.314(3) 0.703(2) 0.162(13) Uani 1 1 d D U . . .
H18A H 0.832131 0.341380 0.717820 0.243 Uiso 1 1 d R U . . .
H18B H 0.858381 0.333130 0.683600 0.243 Uiso 1 1 d R U . . .
H18C H 0.892081 0.296830 0.710580 0.243 Uiso 1 1 d R U . . .
C16 C 0.744(5) 0.258(4) 0.7564(17) 0.164(13) Uani 1 1 d D U . . .
H16C H 0.720609 0.227792 0.767564 0.246 Uiso 1 1 d R U . . .
H16D H 0.775619 0.278202 0.770054 0.246 Uiso 1 1 d R U . . .
H16E H 0.709829 0.285652 0.748734 0.246 Uiso 1 1 d R U . . .
C95 C 0.778(3) 0.227(3) 0.7287(11) 0.164(12) Uani 1 1 d D U . . .
C124 C 0.830(4) 0.182(4) 0.741(2) 0.163(13) Uani 1 1 d D U . . .
H12E H 0.813407 0.143096 0.738034 0.245 Uiso 1 1 d R U . . .
H12F H 0.873987 0.186756 0.730344 0.245 Uiso 1 1 d R U . . .
H12G H 0.837367 0.188896 0.762904 0.245 Uiso 1 1 d R U . . .
C17 C 0.721(3) 0.195(2) 0.7104(14) 0.164(12) Uani 1 1 d D U . . .
H17 H 0.696924 0.162694 0.722114 0.197 Uiso 1 1 calc R U . . .
C130 C 0.822(5) 0.222(3) 0.6742(14) 0.163(12) Uani 1 1 d D U . . .
H13A H 0.871701 0.209638 0.676610 0.196 Uiso 1 1 calc R U . . .
H13B H 0.813639 0.236354 0.652935 0.196 Uiso 1 1 calc R U . . .
C15 C 0.797(3) 0.263(2) 0.6998(15) 0.163(12) Uani 1 1 d D U . . .
C351 C 0.770(4) 0.174(3) 0.684(2) 0.164(12) Uani 1 1 d D U . . .
H35A H 0.742046 0.161942 0.666215 0.196 Uiso 1 1 calc R U . . .
H35B H 0.796371 0.139542 0.691784 0.196 Uiso 1 1 calc R U . . .
C19 C 0.539(2) 0.506(3) 0.7275(10) 0.126(7) Uani 1 1 d D U . . .
H19 H 0.558845 0.465614 0.730241 0.151 Uiso 1 1 calc R U . . .
C146 C 0.468(3) 0.494(3) 0.7126(9) 0.127(7) Uani 1 1 d D U . . .
H14C H 0.457099 0.520807 0.695273 0.152 Uiso 1 1 calc R U . . .
H14D H 0.462660 0.452866 0.705511 0.152 Uiso 1 1 calc R U . . .
C22 C 0.5271(17) 0.5255(18) 0.7614(9) 0.127(7) Uani 1 1 d D U . . .
C20 C 0.795(3) 0.4352(17) 0.7761(9) 0.164(12) Uani 1 1 d D U . . .
H20 H 0.806251 0.400100 0.763257 0.197 Uiso 1 1 calc R U . . .
C82 C 0.788(2) 0.462(2) 0.8312(10) 0.165(12) Uani 1 1 d D U . . .
C21 C 0.721(2) 0.421(3) 0.8236(12) 0.165(12) Uani 1 1 d D U . . .
H21 H 0.677265 0.428179 0.835716 0.198 Uiso 1 1 calc R U . . .
C23 C 0.757(3) 0.359(2) 0.8270(17) 0.165(12) Uani 1 1 d D U . . .
H23D H 0.754574 0.345815 0.848861 0.198 Uiso 1 1 calc R U . . .
H23E H 0.732789 0.330136 0.813792 0.198 Uiso 1 1 calc R U . . .
C147 C 0.837(2) 0.4315(19) 0.8069(10) 0.165(12) Uani 1 1 d D U . . .
C24 C 0.835(3) 0.366(2) 0.8166(12) 0.165(12) Uani 1 1 d D U . . .
H24A H 0.845484 0.339878 0.798871 0.198 Uiso 1 1 calc R U . . .
H24B H 0.867026 0.357406 0.833916 0.198 Uiso 1 1 calc R U . . .
C25 C 0.718(3) 0.429(3) 0.7872(12) 0.164(12) Uani 1 1 d D U . . .
H25C H 0.695169 0.395035 0.777317 0.197 Uiso 1 1 calc R U . . .
H25D H 0.690690 0.464620 0.781844 0.197 Uiso 1 1 calc R U . . .
C27 C 0.771(4) 0.5225(19) 0.8223(17) 0.165(13) Uani 1 1 d D U . . .
H27A H 0.757690 0.543973 0.840406 0.247 Uiso 1 1 d R U . . .
H27B H 0.811200 0.540973 0.812935 0.247 Uiso 1 1 d R U . . .
H27C H 0.733570 0.521843 0.807666 0.247 Uiso 1 1 d R U . . .
C26 C 0.810(4) 0.451(3) 0.8635(10) 0.165(13) Uani 1 1 d D U . . .
H26A H 0.774788 0.428820 0.873927 0.247 Uiso 1 1 d R U . . .
H26B H 0.817408 0.487200 0.874037 0.247 Uiso 1 1 d R U . . .
H26C H 0.853148 0.428970 0.863497 0.247 Uiso 1 1 d R U . . .
C150 C 0.907(2) 0.456(3) 0.8052(17) 0.166(13) Uani 1 1 d D U . . .
H15E H 0.907817 0.491013 0.817349 0.249 Uiso 1 1 d R U . . .
H15F H 0.918356 0.464893 0.783999 0.249 Uiso 1 1 d R U . . .
H15G H 0.940676 0.428843 0.813319 0.249 Uiso 1 1 d R U . . .
C29 C 0.712(2) 0.355(4) 0.4834(14) 0.108(8) Uani 1 1 d D U . . .
H29A H 0.680088 0.355343 0.500426 0.162 Uiso 1 1 d R U . . .
H29B H 0.698458 0.384303 0.468456 0.162 Uiso 1 1 d R U . . .
H29C H 0.712817 0.317703 0.473786 0.162 Uiso 1 1 d R U . . .
C28 C 0.7861(19) 0.370(2) 0.4957(7) 0.108(6) Uani 1 1 d D U . . .
C32 C 0.822(2) 0.3150(19) 0.5093(12) 0.108(7) Uani 1 1 d D U . . .
H32A H 0.808014 0.308041 0.531112 0.129 Uiso 1 1 calc R U . . .
H32B H 0.811942 0.279737 0.496740 0.129 Uiso 1 1 calc R U . . .
C110 C 0.789(3) 0.418(2) 0.5208(14) 0.107(7) Uani 1 1 d D U . . .
H110 H 0.788166 0.399890 0.541905 0.129 Uiso 1 1 calc R U . . .
C116 C 0.863(3) 0.441(3) 0.5140(16) 0.108(7) Uani 1 1 d D U . . .
H11J H 0.861852 0.479966 0.504115 0.129 Uiso 1 1 calc R U . . .
H11K H 0.891609 0.443094 0.533197 0.129 Uiso 1 1 calc R U . . .
C128 C 0.899(2) 0.334(3) 0.5067(15) 0.108(7) Uani 1 1 d D U . . .
H12H H 0.925847 0.306657 0.493281 0.130 Uiso 1 1 calc R U . . .
H12I H 0.921458 0.336128 0.527324 0.130 Uiso 1 1 calc R U . . .
C31 C 0.830(2) 0.3916(16) 0.4682(8) 0.108(6) Uani 1 1 d D U . . .
C187 C 0.892(3) 0.3945(18) 0.4916(11) 0.108(6) Uani 1 1 d D U . . .
H187 H 0.935846 0.407286 0.481380 0.129 Uiso 1 1 calc R U . . .
C72 C 0.844(3) 0.340(2) 0.4459(9) 0.111(8) Uani 1 1 d D U . . .
H72A H 0.892184 0.328791 0.445506 0.166 Uiso 1 1 d R U . . .
H72B H 0.815894 0.307971 0.452496 0.166 Uiso 1 1 d R U . . .
H72C H 0.829904 0.352341 0.425466 0.166 Uiso 1 1 d R U . . .
C353 C 0.803(4) 0.444(2) 0.4492(14) 0.110(8) Uani 1 1 d D U . . .
H35C H 0.842047 0.460192 0.437999 0.165 Uiso 1 1 d R U . . .
H35D H 0.767417 0.432822 0.434839 0.165 Uiso 1 1 d R U . . .
H35E H 0.785497 0.472302 0.463479 0.165 Uiso 1 1 d R U . . .
C34 C 0.870(3) 0.819(2) 0.5606(11) 0.145(10) Uani 1 1 d D U . . .
H34A H 0.823061 0.819557 0.550919 0.174 Uiso 1 1 calc R U . . .
H34B H 0.901565 0.795423 0.547173 0.174 Uiso 1 1 calc R U . . .
C33 C 0.866(5) 0.792(2) 0.5941(13) 0.145(10) Uani 1 1 d D U . . .
H33 H 0.815273 0.786874 0.597398 0.174 Uiso 1 1 calc R U . . .
C36 C 0.9439(18) 0.8741(19) 0.5968(9) 0.146(10) Uani 1 1 d D U . . .
C35 C 0.819(2) 0.885(3) 0.6096(14) 0.145(10) Uani 1 1 d D U . . .
H35F H 0.814590 0.912861 0.626826 0.174 Uiso 1 1 calc R U . . .
H35G H 0.775745 0.861219 0.608297 0.174 Uiso 1 1 calc R U . . .
C113 C 0.899(2) 0.883(2) 0.5655(9) 0.145(10) Uani 1 1 d D U . . .
H113 H 0.924450 0.900640 0.547460 0.174 Uiso 1 1 calc R U . . .
C125 C 0.977(3) 0.933(2) 0.6037(16) 0.146(11) Uani 1 1 d D U . . .
H12J H 0.988844 0.959431 0.586401 0.220 Uiso 1 1 d R U . . .
H12K H 1.016874 0.931031 0.617991 0.220 Uiso 1 1 d R U . . .
H12L H 0.936314 0.948301 0.614691 0.220 Uiso 1 1 d R U . . .
C149 C 0.899(3) 0.831(3) 0.6472(9) 0.144(11) Uani 1 1 d D U . . .
H14E H 0.902259 0.866813 0.659003 0.216 Uiso 1 1 d R U . . .
H14F H 0.862129 0.807503 0.655632 0.216 Uiso 1 1 d R U . . .
H14G H 0.942029 0.810673 0.648063 0.216 Uiso 1 1 d R U . . .
C38 C 0.883(2) 0.8445(19) 0.6147(9) 0.145(10) Uani 1 1 d D U . . .
C340 C 1.000(2) 0.829(3) 0.5893(14) 0.148(11) Uani 1 1 d D U . . .
H34C H 1.034785 0.845564 0.602497 0.222 Uiso 1 1 d R U . . .
H34D H 1.014745 0.830634 0.568127 0.222 Uiso 1 1 d R U . . .
H34E H 0.992075 0.788894 0.595137 0.222 Uiso 1 1 d R U . . .
C191 C 0.833(3) 0.917(3) 0.5780(14) 0.145(10) Uani 1 1 d D U . . .
H19D H 0.843772 0.958894 0.581392 0.174 Uiso 1 1 calc R U . . .
H19E H 0.793139 0.913475 0.563636 0.174 Uiso 1 1 calc R U . . .
C132 C 1.0778(16) 0.4897(19) 0.7075(10) 0.125(6) Uani 1 1 d D U . . .
H132 H 1.064580 0.530608 0.713051 0.150 Uiso 1 1 calc R U . . .
C37 C 1.1157(16) 0.4645(17) 0.7369(8) 0.126(6) Uani 1 1 d D U . . .
C100 C 1.136(2) 0.495(3) 0.6822(9) 0.126(7) Uani 1 1 d D U . . .
H10D H 1.129381 0.466502 0.665186 0.151 Uiso 1 1 calc R U . . .
H10E H 1.138651 0.535038 0.673536 0.151 Uiso 1 1 calc R U . . .
C39 C 1.152(2) 0.517(2) 0.7527(10) 0.126(7) Uani 1 1 d D U . . .
H39A H 1.119828 0.550099 0.756368 0.151 Uiso 1 1 calc R U . . .
H39B H 1.175194 0.506117 0.772458 0.151 Uiso 1 1 calc R U . . .
C120 C 1.1988(18) 0.480(2) 0.7034(9) 0.126(6) Uani 1 1 d D U . . .
H120 H 1.242561 0.472794 0.691296 0.152 Uiso 1 1 calc R U . . .
C40 C 1.176(2) 0.4260(16) 0.7233(10) 0.126(6) Uani 1 1 d D U . . .
C136 C 1.206(3) 0.531(2) 0.7269(12) 0.126(7) Uani 1 1 d D U . . .
H13C H 1.254087 0.533030 0.735468 0.152 Uiso 1 1 calc R U . . .
H13D H 1.195402 0.569121 0.716786 0.152 Uiso 1 1 calc R U . . .
C230 C 1.231(3) 0.410(4) 0.7482(14) 0.127(8) Uani 1 1 d D U . . .
H23F H 1.212429 0.377151 0.759082 0.191 Uiso 1 1 d R U . . .
H23G H 1.237849 0.441861 0.762642 0.191 Uiso 1 1 d R U . . .
H23H H 1.274149 0.400351 0.738612 0.191 Uiso 1 1 d R U . . .
C298 C 1.148(4) 0.376(3) 0.7033(15) 0.127(8) Uani 1 1 d D U . . .
H29D H 1.175935 0.374779 0.684624 0.190 Uiso 1 1 d R U . . .
H29E H 1.154875 0.339649 0.714464 0.190 Uiso 1 1 d R U . . .
H29F H 1.100055 0.379859 0.697974 0.190 Uiso 1 1 d R U . . .
C312 C 1.060(3) 0.441(3) 0.7590(12) 0.128(8) Uani 1 1 d D U . . .
H31A H 1.023185 0.426377 0.745955 0.192 Uiso 1 1 d R U . . .
H31B H 1.041625 0.472227 0.771695 0.192 Uiso 1 1 d R U . . .
H31C H 1.076905 0.410507 0.772085 0.192 Uiso 1 1 d R U . . .
C41 C 0.509(3) 0.471(2) 0.7809(12) 0.128(7) Uani 1 1 d D U . . .
H41A H 0.504972 0.480363 0.803300 0.153 Uiso 1 1 calc R U . . .
H41B H 0.543865 0.439391 0.777992 0.153 Uiso 1 1 calc R U . . .
C101 C 0.4234(19) 0.5067(19) 0.7417(10) 0.128(7) Uani 1 1 d D U . . .
H101 H 0.373452 0.514641 0.736429 0.153 Uiso 1 1 calc R U . . .
C247 C 0.431(4) 0.455(2) 0.7644(13) 0.128(7) Uani 1 1 d D U . . .
H24C H 0.432438 0.417326 0.753310 0.153 Uiso 1 1 calc R U . . .
H24D H 0.393186 0.454586 0.779970 0.153 Uiso 1 1 calc R U . . .
C126 C 0.468(3) 0.611(3) 0.7324(14) 0.129(8) Uani 1 1 d D U . . .
H12M H 0.515810 0.623103 0.731543 0.194 Uiso 1 1 d R U . . .
H12N H 0.452210 0.600853 0.711953 0.194 Uiso 1 1 d R U . . .
H12O H 0.439750 0.641593 0.740663 0.194 Uiso 1 1 d R U . . .
C203 C 0.460(2) 0.5604(16) 0.7559(12) 0.128(7) Uani 1 1 d D U . . .
C254 C 0.425(3) 0.584(3) 0.7855(12) 0.131(8) Uani 1 1 d D U . . .
H25E H 0.461019 0.600255 0.799360 0.197 Uiso 1 1 calc R U . . .
H25F H 0.399999 0.552968 0.796150 0.197 Uiso 1 1 calc R U . . .
H25G H 0.392190 0.615477 0.779936 0.197 Uiso 1 1 calc R U . . .
C325 C 0.596(2) 0.552(3) 0.7739(14) 0.131(8) Uani 1 1 d D U . . .
H32C H 0.590004 0.593262 0.775095 0.196 Uiso 1 1 d R U . . .
H32D H 0.607264 0.536741 0.794075 0.196 Uiso 1 1 d R U . . .
H32E H 0.632364 0.542552 0.759555 0.196 Uiso 1 1 d R U . . .
C63 C 1.108(4) 0.626(3) 0.5641(16) 0.132(8) Uani 1 1 d D U . . .
H63A H 1.107394 0.661565 0.552399 0.198 Uiso 1 1 d R U . . .
H63B H 1.149674 0.623695 0.576209 0.198 Uiso 1 1 d R U . . .
H63C H 1.068004 0.625115 0.577769 0.198 Uiso 1 1 d R U . . .
C46 C 1.054(3) 0.488(2) 0.5240(12) 0.134(7) Uani 1 1 d D U . . .
H46A H 1.056628 0.499155 0.501770 0.160 Uiso 1 1 calc R U . . .
H46B H 1.018975 0.457276 0.526558 0.160 Uiso 1 1 calc R U . . .
C42 C 1.033(2) 0.528(3) 0.5777(10) 0.133(7) Uani 1 1 d D U . . .
H42 H 1.007518 0.489813 0.578672 0.160 Uiso 1 1 calc R U . . .
C48 C 0.974(2) 0.575(3) 0.5317(14) 0.134(8) Uani 1 1 d D U . . .
H48A H 0.987210 0.603814 0.516847 0.202 Uiso 1 1 d R U . . .
H48B H 0.941210 0.548164 0.522217 0.202 Uiso 1 1 d R U . . .
H48C H 0.952230 0.593044 0.549257 0.202 Uiso 1 1 d R U . . .
C45 C 1.0343(18) 0.5413(18) 0.5433(9) 0.133(7) Uani 1 1 d D U . . .
C47 C 1.103(2) 0.5736(17) 0.5418(12) 0.133(7) Uani 1 1 d D U . . .
C94 C 1.108(3) 0.511(3) 0.5880(9) 0.133(7) Uani 1 1 d D U . . .
H94A H 1.126950 0.537456 0.604099 0.160 Uiso 1 1 calc R U . . .
H94B H 1.111535 0.469926 0.595051 0.160 Uiso 1 1 calc R U . . .
C43 C 1.1423(19) 0.521(2) 0.5559(11) 0.134(7) Uani 1 1 d D U . . .
H43 H 1.193561 0.528067 0.557738 0.160 Uiso 1 1 calc R U . . .
C44 C 1.127(3) 0.467(2) 0.5355(13) 0.134(7) Uani 1 1 d D U . . .
H44A H 1.123551 0.430241 0.547651 0.161 Uiso 1 1 calc R U . . .
H44B H 1.160557 0.462097 0.518277 0.161 Uiso 1 1 calc R U . . .
C179 C 1.150(4) 0.586(4) 0.5135(13) 0.135(8) Uani 1 1 d D U . . .
H17A H 1.194752 0.600698 0.519912 0.202 Uiso 1 1 d R U . . .
H17B H 1.156561 0.551398 0.501262 0.202 Uiso 1 1 d R U . . .
H17C H 1.126372 0.614968 0.501442 0.202 Uiso 1 1 d R U . . .
C73 C 0.809(3) 0.632(3) 0.4898(8) 0.111(6) Uani 1 1 d D U . . .
H73 H 0.836301 0.594507 0.490272 0.133 Uiso 1 1 calc R U . . .
C106 C 0.483(3) 0.391(4) 0.4987(12) 0.108(7) Uani 1 1 d D U . . .
H10F H 0.508479 0.353801 0.495249 0.130 Uiso 1 1 calc R U . . .
H10G H 0.513367 0.423938 0.492722 0.130 Uiso 1 1 calc R U . . .
C75 C 0.861(4) 0.682(3) 0.4847(14) 0.112(6) Uani 1 1 d D U . . .
H75A H 0.909847 0.668368 0.487478 0.134 Uiso 1 1 calc R U . . .
H75B H 0.852408 0.714222 0.499632 0.134 Uiso 1 1 calc R U . . .
C77 C 0.702(3) 0.598(3) 0.4637(19) 0.113(7) Uani 1 1 d D U . . .
H77A H 0.711098 0.568378 0.479056 0.170 Uiso 1 1 d R U . . .
H77B H 0.696748 0.579608 0.443716 0.170 Uiso 1 1 d R U . . .
H77C H 0.659938 0.618228 0.468916 0.170 Uiso 1 1 d R U . . .
C74 C 0.769(3) 0.634(2) 0.4589(12) 0.112(6) Uani 1 1 d D U . . .
C78 C 0.824(3) 0.616(3) 0.4347(16) 0.112(6) Uani 1 1 d D U . . .
H78A H 0.841950 0.577431 0.440421 0.135 Uiso 1 1 calc R U . . .
H78B H 0.800240 0.612435 0.414338 0.135 Uiso 1 1 calc R U . . .
C79 C 0.886(3) 0.658(3) 0.4306(18) 0.113(6) Uani 1 1 d D U . . .
H79A H 0.893559 0.670770 0.408868 0.135 Uiso 1 1 calc R U . . .
H79B H 0.930322 0.642646 0.439604 0.135 Uiso 1 1 calc R U . . .
C117 C 0.740(4) 0.745(3) 0.4707(17) 0.114(7) Uani 1 1 d D U . . .
H11L H 0.692156 0.734625 0.474759 0.171 Uiso 1 1 d R U . . .
H11M H 0.741606 0.783275 0.461659 0.171 Uiso 1 1 d R U . . .
H11N H 0.765536 0.744775 0.489839 0.171 Uiso 1 1 d R U . . .
C80 C 0.769(3) 0.698(2) 0.4485(13) 0.113(6) Uani 1 1 d D U . . .
C156 C 0.849(3) 0.703(3) 0.4511(13) 0.112(6) Uani 1 1 d D U . . .
H156 H 0.866813 0.743730 0.447527 0.135 Uiso 1 1 calc R U . . .
C347 C 0.727(4) 0.700(4) 0.4182(14) 0.114(7) Uani 1 1 d D U . . .
H34F H 0.698812 0.665070 0.415442 0.171 Uiso 1 1 d R U . . .
H34G H 0.696522 0.732970 0.419882 0.171 Uiso 1 1 d R U . . .
H34H H 0.757062 0.704370 0.400672 0.171 Uiso 1 1 d R U . . .
Cl54 Cl 0.447(2) 0.046(2) 0.6249(12) 0.130(11) Uani 0.5 1 d D U P . .
Cl42 Cl 0.4927(15) -0.0191(15) 0.5733(10) 0.109(9) Uani 0.5 1 d D U P . .
C193 C 0.484(9) 0.052(2) 0.588(2) 0.14(2) Uani 0.5 1 d D U P . .
H19F H 0.529516 0.071902 0.588858 0.165 Uiso 0.5 1 calc R U P . .
H19G H 0.452717 0.075529 0.573935 0.165 Uiso 0.5 1 calc R U P . .
C49 C 0.8798(15) 0.6326(17) 0.7162(7) 0.083(6) Uani 1 1 d D U . . .
H49 H 0.875155 0.595299 0.728119 0.099 Uiso 1 1 calc R U . . .
C52 C 0.8772(15) 0.6816(16) 0.7407(7) 0.098(6) Uani 1 1 d D U . . .
C51 C 0.9564(18) 0.6353(19) 0.7056(12) 0.088(7) Uani 1 1 d D U . . .
H51A H 0.980737 0.598136 0.710113 0.106 Uiso 1 1 calc R U . . .
H51B H 0.959572 0.643433 0.683074 0.106 Uiso 1 1 calc R U . . .
C53 C 0.9497(19) 0.678(2) 0.7559(7) 0.099(7) Uani 1 1 d D U . . .
C61 C 0.808(2) 0.678(3) 0.7584(12) 0.112(12) Uani 1 1 d D U . . .
H61A H 0.776947 0.650139 0.747946 0.168 Uiso 1 1 calc R U . . .
H61B H 0.786013 0.716430 0.758929 0.168 Uiso 1 1 calc R U . . .
H61C H 0.816826 0.664551 0.779698 0.168 Uiso 1 1 calc R U . . .
C54 C 0.970(5) 0.727(3) 0.7790(18) 0.123(14) Uani 1 1 d D U . . .
H54A H 0.959814 0.764997 0.769793 0.184 Uiso 1 1 calc R U . . .
H54B H 1.019795 0.724075 0.783735 0.184 Uiso 1 1 calc R U . . .
H54C H 0.942902 0.722193 0.798190 0.184 Uiso 1 1 calc R U . . .
C87 C 0.9878(15) 0.6857(19) 0.7247(9) 0.100(7) Uani 1 1 d D U . . .
H87 H 1.039875 0.684979 0.726215 0.120 Uiso 1 1 calc R U . . .
C56 C 0.957(2) 0.7439(17) 0.7111(13) 0.106(9) Uani 1 1 d D U . . .
H56A H 0.959856 0.744651 0.688126 0.127 Uiso 1 1 calc R U . . .
H56B H 0.981366 0.778517 0.719597 0.127 Uiso 1 1 calc R U . . .
C98 C 0.953(4) 0.618(2) 0.7719(18) 0.113(12) Uani 1 1 d D U . . .
H98A H 0.907915 0.598568 0.769640 0.170 Uiso 1 1 calc R U . . .
H98B H 0.963317 0.623624 0.794049 0.170 Uiso 1 1 calc R U . . .
H98C H 0.989634 0.594735 0.762292 0.170 Uiso 1 1 calc R U . . .
C105 C 0.878(2) 0.7410(16) 0.7226(13) 0.105(8) Uani 1 1 d D U . . .
H10H H 0.867067 0.774145 0.736484 0.126 Uiso 1 1 calc R U . . .
H10I H 0.845476 0.740610 0.704928 0.126 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 2.743(3) . ?
Au01 Au03 2.775(3) . ?
Au01 Au04 2.722(3) . ?
Au01 Au05 3.079(3) . ?
Au01 Au06 3.071(3) . ?
Au01 Au07 2.923(3) . ?
Au01 Au0A 3.005(3) . ?
Au01 Au0B 3.348(3) . ?
Au01 S00S 2.359(13) . ?
Au02 Au03 2.759(3) . ?
Au02 Au04 2.849(3) . ?
Au02 Au06 3.057(3) . ?
Au02 Au08 3.055(3) . ?
Au02 Au0A 2.978(3) . ?
Au02 P00T 2.295(14) . ?
Au03 Au04 2.743(3) . ?
Au03 Au08 3.127(3) . ?
Au03 Au0A 3.303(3) . ?
Au03 S00Q 2.545(17) . ?
Au03 S00X 2.362(16) . ?
Au04 Au05 2.758(3) . ?
Au04 Au07 2.793(3) . ?
Au04 Au08 2.664(3) . ?
Au04 Au09 2.821(3) . ?
Au04 Au0E 2.682(3) . ?
Au04 Au0H 2.848(3) . ?
Au05 Au07 2.678(3) . ?
Au05 Au0B 2.878(3) . ?
Au05 Au0C 2.972(3) . ?
Au05 Au0H 2.733(3) . ?
Au05 S00K 2.379(13) . ?
Au06 S00L 2.325(12) . ?
Au06 S00M 2.297(12) . ?
Au07 Au0B 3.154(3) . ?
Au07 Au0H 2.738(4) . ?
Au07 Au0I 2.946(3) . ?
Au07 Au0J 3.301(3) . ?
Au07 S00M 2.360(14) . ?
Au08 Au09 2.751(3) . ?
Au08 Au0E 2.862(4) . ?
Au08 Au0G 2.917(3) . ?
Au08 P00R 2.292(14) . ?
Au09 Au0D 2.935(4) . ?
Au09 Au0E 2.709(3) . ?
Au09 Au0H 2.888(3) . ?
Au09 Au0J 3.325(3) . ?
Au09 S00U 2.332(18) . ?
Au0A S00L 2.330(13) . ?
Au0A S00Q 2.305(17) . ?
Au0B S00S 2.340(13) . ?
Au0B S00W 2.284(14) . ?
Au0C Au0E 3.288(3) . ?
Au0C S00K 2.328(14) . ?
Au0C S00N 2.253(13) . ?
Au0D Au0E 3.135(3) . ?
Au0D S00P 2.316(14) . ?
Au0D S00V 2.307(17) . ?
Au0E Au0F 2.870(3) . ?
Au0E Au0G 3.194(4) . ?
Au0E Au0H 3.294(3) . ?
Au0E S00N 2.347(15) . ?
Au0F S00O 2.278(11) . ?
Au0F S00P 2.301(14) . ?
Au0G S00O 2.288(15) . ?
Au0G S00X 2.316(18) . ?
Au0H Au0J 3.082(4) . ?
Au0H S00V 2.331(14) . ?
Au0I S00W 2.310(17) . ?
Au0I S00Y 2.31(2) . ?
Au0J S00U 2.292(17) . ?
Au0J S00Y 2.310(18) . ?
S00K C59 1.87(6) . ?
S00L C33 1.72(7) . ?
S00M C49 1.803(13) . ?
S00N C6 1.88(5) . ?
S00O C69 1.85(6) . ?
S00P C220 1.803(14) . ?
S00Q C73 1.803(14) . ?
P00R C62 1.84(6) . ?
P00R C121 1.80(3) . ?
P00R C50 1.78(3) . ?
S00S C42 1.94(5) . ?
P00T C62 1.85(5) . ?
P00T C57 1.84(4) . ?
P00T C30 1.82(3) . ?
S00U C19 1.89(5) . ?
S00V C13 1.801(14) . ?
S00W C132 1.803(13) . ?
S00X C110 1.87(6) . ?
S00Y C20 1.800(14) . ?
C62 H62A 0.9900 . ?
C62 H62B 0.9900 . ?
C55 H55A 0.9593 . ?
C55 H55B 0.9609 . ?
C55 H55C 0.9605 . ?
C55 C183 1.540(14) . ?
C67 H67 1.0000 . ?
C67 C76 1.541(14) . ?
C67 C151 1.539(14) . ?
C67 C106 1.539(14) . ?
C69 H69 1.0000 . ?
C69 C183 1.541(14) . ?
C69 C106 1.539(14) . ?
C76 C119 1.541(14) . ?
C76 C235 1.539(14) . ?
C76 C183 1.541(14) . ?
C119 H11A 0.9800 . ?
C119 H11B 0.9800 . ?
C119 H11C 0.9800 . ?
C151 H15A 0.9900 . ?
C151 H15B 0.9900 . ?
C151 C158 1.539(14) . ?
C158 H15C 0.9900 . ?
C158 H15D 0.9900 . ?
C158 C183 1.543(14) . ?
C235 H23A 0.9800 . ?
C235 H23B 0.9800 . ?
C235 H23C 0.9800 . ?
C170 H170 0.9500 . ?
C170 C85 1.3900 . ?
C170 C121 1.3900 . ?
C85 H85 0.9500 . ?
C85 C129 1.3900 . ?
C129 H129 0.9500 . ?
C129 C1 1.3900 . ?
C1 H1 0.9500 . ?
C1 C201 1.3900 . ?
C201 H201 0.9500 . ?
C201 C121 1.3900 . ?
C276 H276 0.9500 . ?
C276 C199 1.3900 . ?
C276 C2 1.3900 . ?
C199 H199 0.9500 . ?
C199 C57 1.3900 . ?
C57 C88 1.3900 . ?
C88 H88 0.9500 . ?
C88 C70 1.3900 . ?
C70 H70 0.9500 . ?
C70 C2 1.3900 . ?
C2 H2 0.9500 . ?
C3 H3 0.9500 . ?
C3 C141 1.3900 . ?
C3 C99 1.3900 . ?
C141 H141 0.9500 . ?
C141 C50 1.3900 . ?
C50 C65 1.3900 . ?
C65 H65 0.9500 . ?
C65 C66 1.3900 . ?
C66 H66 0.9500 . ?
C66 C99 1.3900 . ?
C99 H99 0.9500 . ?
C167 H167 0.9500 . ?
C167 C188 1.3900 . ?
C167 C4 1.3900 . ?
C188 H188 0.9500 . ?
C188 C30 1.3900 . ?
C30 C60 1.3900 . ?
C60 H60 0.9500 . ?
C60 C127 1.3900 . ?
C127 H127 0.9500 . ?
C127 C4 1.3900 . ?
C4 H4 0.9500 . ?
C59 H59 1.0000 . ?
C59 C83 1.597(13) . ?
C59 C212 1.567(14) . ?
C71 H71 1.0000 . ?
C71 C166 1.598(13) . ?
C71 C181 1.600(12) . ?
C71 C212 1.600(13) . ?
C83 C123 1.597(13) . ?
C83 C5 1.535(13) . ?
C83 C181 1.593(12) . ?
C111 H11D 0.9597 . ?
C111 H11E 0.9602 . ?
C111 H11F 0.9600 . ?
C111 C181 1.481(11) . ?
C123 H12A 0.9900 . ?
C123 H12B 0.9900 . ?
C123 C166 1.569(14) . ?
C5 H5A 0.9587 . ?
C5 H5B 0.9597 . ?
C5 H5C 0.9606 . ?
C166 H16A 0.9900 . ?
C166 H16B 0.9900 . ?
C181 C211 1.480(11) . ?
C212 H21A 0.9900 . ?
C212 H21B 0.9900 . ?
C58 C8 1.547(13) . ?
C58 C104 1.548(13) . ?
C58 C10 1.540(14) . ?
C58 C9 1.541(13) . ?
C8 C68 1.544(14) . ?
C8 C6 1.544(13) . ?
C8 C86 1.546(13) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C7 C6 1.541(14) . ?
C7 C104 1.544(13) . ?
C68 H68A 0.9601 . ?
C68 H68B 0.9597 . ?
C68 H68C 0.9598 . ?
C6 H6 1.0000 . ?
C104 H104 1.0000 . ?
C104 C89 1.545(13) . ?
C211 H21C 0.9601 . ?
C211 H21D 0.9611 . ?
C211 H21E 0.9597 . ?
C10 H10A 0.9602 . ?
C10 H10B 0.9596 . ?
C10 H10C 0.9597 . ?
C86 H86A 0.9900 . ?
C86 H86B 0.9900 . ?
C86 C89 1.541(14) . ?
C89 H89A 0.9900 . ?
C89 H89B 0.9900 . ?
C9 H9A 0.9614 . ?
C9 H9B 0.9597 . ?
C9 H9C 0.9593 . ?
C13 H13 1.0000 . ?
C13 C251 1.542(14) . ?
C13 C15 1.537(14) . ?
C251 H25A 0.9900 . ?
C251 H25B 0.9900 . ?
C251 C17 1.545(14) . ?
C220 H220 1.0000 . ?
C220 C12 1.541(14) . ?
C220 C137 1.540(14) . ?
C12 H12C 0.9900 . ?
C12 H12D 0.9900 . ?
C12 C162 1.542(14) . ?
C90 H90A 0.9800 . ?
C90 H90B 0.9798 . ?
C90 H90C 0.9803 . ?
C90 C108 1.533(14) . ?
C93 H93A 0.9900 . ?
C93 H93B 0.9900 . ?
C93 C162 1.542(14) . ?
C93 C14 1.544(13) . ?
C108 C137 1.541(13) . ?
C108 C162 1.540(14) . ?
C108 C11 1.536(14) . ?
C137 C14 1.545(13) . ?
C137 C195 1.537(13) . ?
C162 H162 1.0000 . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C11 H11G 0.9602 . ?
C11 H11H 0.9601 . ?
C11 H11I 0.9604 . ?
C195 H19A 0.9602 . ?
C195 H19B 0.9600 . ?
C195 H19C 0.9603 . ?
C18 H18A 0.9606 . ?
C18 H18B 0.9604 . ?
C18 H18C 0.9598 . ?
C18 C15 1.536(13) . ?
C16 H16C 0.9601 . ?
C16 H16D 0.9607 . ?
C16 H16E 0.9598 . ?
C16 C95 1.539(14) . ?
C95 C124 1.536(14) . ?
C95 C17 1.542(14) . ?
C95 C15 1.539(13) . ?
C124 H12E 0.9607 . ?
C124 H12F 0.9600 . ?
C124 H12G 0.9603 . ?
C17 H17 1.0000 . ?
C17 C351 1.542(14) . ?
C130 H13A 0.9900 . ?
C130 H13B 0.9900 . ?
C130 C15 1.539(14) . ?
C130 C351 1.542(14) . ?
C351 H35A 0.9900 . ?
C351 H35B 0.9900 . ?
C19 H19 1.0000 . ?
C19 C146 1.546(14) . ?
C19 C22 1.543(13) . ?
C146 H14C 0.9900 . ?
C146 H14D 0.9900 . ?
C146 C101 1.540(14) . ?
C22 C41 1.542(13) . ?
C22 C203 1.539(13) . ?
C22 C325 1.541(13) . ?
C20 H20 1.0000 . ?
C20 C147 1.564(12) . ?
C20 C25 1.559(10) . ?
C82 C21 1.634(12) . ?
C82 C147 1.569(11) . ?
C82 C27 1.473(11) . ?
C82 C26 1.476(11) . ?
C21 H21 1.0000 . ?
C21 C23 1.582(9) . ?
C21 C25 1.579(9) . ?
C23 H23D 0.9900 . ?
C23 H23E 0.9900 . ?
C23 C24 1.561(10) . ?
C147 C24 1.563(12) . ?
C147 C150 1.449(11) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 H25C 0.9900 . ?
C25 H25D 0.9900 . ?
C27 H27A 0.9598 . ?
C27 H27B 0.9601 . ?
C27 H27C 0.9593 . ?
C26 H26A 0.9603 . ?
C26 H26B 0.9593 . ?
C26 H26C 0.9598 . ?
C150 H15E 0.9598 . ?
C150 H15F 0.9601 . ?
C150 H15G 0.9596 . ?
C29 H29A 0.9603 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9587 . ?
C29 C28 1.543(14) . ?
C28 C32 1.544(13) . ?
C28 C110 1.550(14) . ?
C28 C31 1.542(13) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C32 C128 1.542(14) . ?
C110 H110 1.0000 . ?
C110 C116 1.539(14) . ?
C116 H11J 0.9900 . ?
C116 H11K 0.9900 . ?
C116 C187 1.538(14) . ?
C128 H12H 0.9900 . ?
C128 H12I 0.9900 . ?
C128 C187 1.544(14) . ?
C31 C187 1.544(13) . ?
C31 C72 1.540(13) . ?
C31 C353 1.539(14) . ?
C187 H187 1.0000 . ?
C72 H72A 0.9607 . ?
C72 H72B 0.9596 . ?
C72 H72C 0.9602 . ?
C353 H35C 0.9600 . ?
C353 H35D 0.9609 . ?
C353 H35E 0.9592 . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C34 C33 1.565(13) . ?
C34 C113 1.590(12) . ?
C33 H33 1.0000 . ?
C33 C38 1.520(13) . ?
C36 C113 1.610(12) . ?
C36 C125 1.528(13) . ?
C36 C38 1.552(13) . ?
C36 C340 1.522(13) . ?
C35 H35F 0.9900 . ?
C35 H35G 0.9900 . ?
C35 C38 1.547(13) . ?
C35 C191 1.573(13) . ?
C113 H113 1.0000 . ?
C113 C191 1.586(13) . ?
C125 H12J 0.9800 . ?
C125 H12K 0.9799 . ?
C125 H12L 0.9800 . ?
C149 H14E 0.9593 . ?
C149 H14F 0.9600 . ?
C149 H14G 0.9601 . ?
C149 C38 1.462(11) . ?
C340 H34C 0.9596 . ?
C340 H34D 0.9590 . ?
C340 H34E 0.9600 . ?
C191 H19D 0.9900 . ?
C191 H19E 0.9900 . ?
C132 H132 1.0000 . ?
C132 C37 1.566(12) . ?
C132 C100 1.559(13) . ?
C37 C39 1.555(13) . ?
C37 C40 1.569(12) . ?
C37 C312 1.532(13) . ?
C100 H10D 0.9900 . ?
C100 H10E 0.9900 . ?
C100 C120 1.555(13) . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C39 C136 1.551(14) . ?
C120 H120 1.0000 . ?
C120 C40 1.566(12) . ?
C120 C136 1.558(13) . ?
C40 C230 1.540(14) . ?
C40 C298 1.538(14) . ?
C136 H13C 0.9900 . ?
C136 H13D 0.9900 . ?
C230 H23F 0.9604 . ?
C230 H23G 0.9603 . ?
C230 H23H 0.9600 . ?
C298 H29D 0.9604 . ?
C298 H29E 0.9607 . ?
C298 H29F 0.9595 . ?
C312 H31A 0.9591 . ?
C312 H31B 0.9605 . ?
C312 H31C 0.9610 . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
C41 C247 1.70(6) . ?
C101 H101 1.0000 . ?
C101 C247 1.540(13) . ?
C101 C203 1.539(14) . ?
C247 H24C 0.9900 . ?
C247 H24D 0.9900 . ?
C126 H12M 0.9597 . ?
C126 H12N 0.9592 . ?
C126 H12O 0.9610 . ?
C126 C203 1.541(14) . ?
C203 C254 1.538(14) . ?
C254 H25E 0.9800 . ?
C254 H25F 0.9800 . ?
C254 H25G 0.9800 . ?
C325 H32C 0.9598 . ?
C325 H32D 0.9592 . ?
C325 H32E 0.9600 . ?
C63 H63A 0.9602 . ?
C63 H63B 0.9601 . ?
C63 H63C 0.9599 . ?
C63 C47 1.540(14) . ?
C46 H46A 0.9900 . ?
C46 H46B 0.9900 . ?
C46 C45 1.516(13) . ?
C46 C44 1.554(14) . ?
C42 H42 1.0000 . ?
C42 C45 1.513(13) . ?
C42 C94 1.554(13) . ?
C48 H48A 0.9598 . ?
C48 H48B 0.9599 . ?
C48 H48C 0.9597 . ?
C48 C45 1.477(10) . ?
C45 C47 1.519(13) . ?
C47 C43 1.549(13) . ?
C47 C179 1.537(14) . ?
C94 H94A 0.9900 . ?
C94 H94B 0.9900 . ?
C94 C43 1.543(14) . ?
C43 H43 1.0000 . ?
C43 C44 1.546(13) . ?
C44 H44A 0.9900 . ?
C44 H44B 0.9900 . ?
C179 H17A 0.9600 . ?
C179 H17B 0.9595 . ?
C179 H17C 0.9594 . ?
C73 H73 1.0000 . ?
C73 C75 1.540(14) . ?
C73 C74 1.541(14) . ?
C106 H10F 0.9900 . ?
C106 H10G 0.9900 . ?
C75 H75A 0.9900 . ?
C75 H75B 0.9900 . ?
C75 C156 1.541(14) . ?
C77 H77A 0.9601 . ?
C77 H77B 0.9598 . ?
C77 H77C 0.9596 . ?
C77 C74 1.539(14) . ?
C74 C78 1.540(14) . ?
C74 C80 1.541(14) . ?
C78 H78A 0.9900 . ?
C78 H78B 0.9900 . ?
C78 C79 1.538(14) . ?
C79 H79A 0.9900 . ?
C79 H79B 0.9900 . ?
C79 C156 1.539(14) . ?
C117 H11L 0.9601 . ?
C117 H11M 0.9602 . ?
C117 H11N 0.9600 . ?
C117 C80 1.540(14) . ?
C80 C156 1.540(14) . ?
C80 C347 1.541(14) . ?
C156 H156 1.0000 . ?
C347 H34F 0.9622 . ?
C347 H34G 0.9587 . ?
C347 H34H 0.9608 . ?
Cl54 C193 1.759(14) . ?
Cl42 C193 1.759(14) . ?
C193 H19F 0.9900 . ?
C193 H19G 0.9900 . ?
C49 H49 1.0000 . ?
C49 C52 1.540(10) . ?
C49 C51 1.540(10) . ?
C52 C53 1.538(14) . ?
C52 C61 1.533(13) . ?
C52 C105 1.568(13) . ?
C51 H51A 0.9900 . ?
C51 H51B 0.9900 . ?
C51 C87 1.539(14) . ?
C53 C54 1.539(14) . ?
C53 C87 1.540(14) . ?
C53 C98 1.539(14) . ?
C61 H61A 0.9800 . ?
C61 H61B 0.9800 . ?
C61 H61C 0.9800 . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
C87 H87 1.0000 . ?
C87 C56 1.572(13) . ?
C56 H56A 0.9900 . ?
C56 H56B 0.9900 . ?
C56 C105 1.588(12) . ?
C98 H98A 0.9800 . ?
C98 H98B 0.9800 . ?
C98 H98C 0.9800 . ?
C105 H10H 0.9900 . ?
C105 H10I 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 59.99(7) . . ?
Au02 Au01 Au05 116.67(9) . . ?
Au02 Au01 Au06 63.15(8) . . ?
Au02 Au01 Au07 82.55(8) . . ?
Au02 Au01 Au0A 62.22(8) . . ?
Au02 Au01 Au0B 139.44(9) . . ?
Au03 Au01 Au05 100.22(9) . . ?
Au03 Au01 Au06 120.15(10) . . ?
Au03 Au01 Au07 117.82(9) . . ?
Au03 Au01 Au0A 69.57(8) . . ?
Au03 Au01 Au0B 150.10(11) . . ?
Au04 Au01 Au02 62.84(8) . . ?
Au04 Au01 Au03 59.84(7) . . ?
Au04 Au01 Au05 56.36(7) . . ?
Au04 Au01 Au06 107.95(9) . . ?
Au04 Au01 Au07 59.18(7) . . ?
Au04 Au01 Au0A 118.16(9) . . ?
Au04 Au01 Au0B 104.67(8) . . ?
Au05 Au01 Au0B 53.01(7) . . ?
Au06 Au01 Au05 120.97(8) . . ?
Au06 Au01 Au0B 88.15(8) . . ?
Au07 Au01 Au05 52.91(7) . . ?
Au07 Au01 Au06 69.98(8) . . ?
Au07 Au01 Au0A 134.65(11) . . ?
Au07 Au01 Au0B 59.93(7) . . ?
Au0A Au01 Au05 169.11(9) . . ?
Au0A Au01 Au06 68.97(8) . . ?
Au0A Au01 Au0B 135.64(9) . . ?
S00S Au01 Au02 144.6(4) . . ?
S00S Au01 Au03 139.6(4) . . ?
S00S Au01 Au04 147.4(3) . . ?
S00S Au01 Au05 91.3(4) . . ?
S00S Au01 Au06 84.3(4) . . ?
S00S Au01 Au07 100.0(3) . . ?
S00S Au01 Au0A 94.4(3) . . ?
S00S Au01 Au0B 44.3(3) . . ?
Au01 Au02 Au03 60.59(7) . . ?
Au01 Au02 Au04 58.23(8) . . ?
Au01 Au02 Au06 63.67(8) . . ?
Au01 Au02 Au08 107.22(10) . . ?
Au01 Au02 Au0A 63.22(8) . . ?
Au03 Au02 Au04 58.53(7) . . ?
Au03 Au02 Au06 121.20(10) . . ?
Au03 Au02 Au08 64.83(7) . . ?
Au03 Au02 Au0A 70.18(8) . . ?
Au04 Au02 Au06 105.08(9) . . ?
Au04 Au02 Au08 53.52(7) . . ?
Au04 Au02 Au0A 115.03(10) . . ?
Au08 Au02 Au06 153.26(10) . . ?
Au0A Au02 Au06 69.50(8) . . ?
Au0A Au02 Au08 131.17(8) . . ?
P00T Au02 Au01 159.1(3) . . ?
P00T Au02 Au03 139.1(3) . . ?
P00T Au02 Au04 132.6(4) . . ?
P00T Au02 Au06 95.5(3) . . ?
P00T Au02 Au08 91.1(4) . . ?
P00T Au02 Au0A 112.1(4) . . ?
Au01 Au03 Au08 104.47(7) . . ?
Au01 Au03 Au0A 58.49(7) . . ?
Au02 Au03 Au01 59.42(7) . . ?
Au02 Au03 Au08 62.17(7) . . ?
Au02 Au03 Au0A 58.02(7) . . ?
Au04 Au03 Au01 59.12(7) . . ?
Au04 Au03 Au02 62.37(8) . . ?
Au04 Au03 Au08 53.51(7) . . ?
Au04 Au03 Au0A 108.45(8) . . ?
Au08 Au03 Au0A 117.37(9) . . ?
S00Q Au03 Au01 102.1(4) . . ?
S00Q Au03 Au02 84.5(4) . . ?
S00Q Au03 Au04 146.6(4) . . ?
S00Q Au03 Au08 115.5(4) . . ?
S00Q Au03 Au0A 44.1(4) . . ?
S00X Au03 Au01 141.4(4) . . ?
S00X Au03 Au02 155.9(4) . . ?
S00X Au03 Au04 113.3(5) . . ?
S00X Au03 Au08 95.6(4) . . ?
S00X Au03 Au0A 137.1(5) . . ?
S00X Au03 S00Q 98.4(6) . . ?
Au01 Au04 Au02 58.93(8) . . ?
Au01 Au04 Au03 61.04(7) . . ?
Au01 Au04 Au05 68.37(8) . . ?
Au01 Au04 Au07 63.99(7) . . ?
Au01 Au04 Au09 143.15(11) . . ?
Au01 Au04 Au0H 115.42(9) . . ?
Au03 Au04 Au02 59.09(7) . . ?
Au03 Au04 Au05 109.66(9) . . ?
Au03 Au04 Au07 123.68(10) . . ?
Au03 Au04 Au09 130.45(10) . . ?
Au03 Au04 Au0H 166.06(12) . . ?
Au05 Au04 Au02 124.34(10) . . ?
Au05 Au04 Au07 57.68(8) . . ?
Au05 Au04 Au09 119.56(9) . . ?
Au05 Au04 Au0H 58.33(7) . . ?
Au07 Au04 Au02 83.03(9) . . ?
Au07 Au04 Au09 89.19(8) . . ?
Au07 Au04 Au0H 58.07(8) . . ?
Au08 Au04 Au01 120.25(11) . . ?
Au08 Au04 Au02 67.20(9) . . ?
Au08 Au04 Au03 70.64(8) . . ?
Au08 Au04 Au05 167.36(12) . . ?
Au08 Au04 Au07 133.32(11) . . ?
Au08 Au04 Au09 60.13(8) . . ?
Au08 Au04 Au0E 64.72(9) . . ?
Au08 Au04 Au0H 119.31(10) . . ?
Au09 Au04 Au02 94.94(10) . . ?
Au09 Au04 Au0H 61.26(8) . . ?
Au0E Au04 Au01 157.91(11) . . ?
Au0E Au04 Au02 131.87(10) . . ?
Au0E Au04 Au03 105.51(9) . . ?
Au0E Au04 Au05 103.73(11) . . ?
Au0E Au04 Au07 130.56(10) . . ?
Au0E Au04 Au09 58.91(8) . . ?
Au0E Au04 Au0H 73.06(9) . . ?
Au0H Au04 Au02 132.36(10) . . ?
Au04 Au05 Au01 55.26(7) . . ?
Au04 Au05 Au0B 117.56(11) . . ?
Au04 Au05 Au0C 83.10(8) . . ?
Au07 Au05 Au01 60.54(8) . . ?
Au07 Au05 Au04 61.81(8) . . ?
Au07 Au05 Au0B 69.06(9) . . ?
Au07 Au05 Au0C 137.32(10) . . ?
Au07 Au05 Au0H 60.79(9) . . ?
Au0B Au05 Au01 68.29(8) . . ?
Au0B Au05 Au0C 153.60(11) . . ?
Au0C Au05 Au01 119.27(8) . . ?
Au0H Au05 Au01 108.08(10) . . ?
Au0H Au05 Au04 62.48(8) . . ?
Au0H Au05 Au0B 120.83(10) . . ?
Au0H Au05 Au0C 82.40(9) . . ?
S00K Au05 Au01 109.8(4) . . ?
S00K Au05 Au04 117.9(3) . . ?
S00K Au05 Au07 169.3(4) . . ?
S00K Au05 Au0B 103.7(3) . . ?
S00K Au05 Au0C 50.1(3) . . ?
S00K Au05 Au0H 129.4(4) . . ?
Au02 Au06 Au01 53.17(7) . . ?
S00L Au06 Au01 85.6(3) . . ?
S00L Au06 Au02 95.3(3) . . ?
S00M Au06 Au01 95.6(3) . . ?
S00M Au06 Au02 89.1(3) . . ?
S00M Au06 S00L 175.3(5) . . ?
Au01 Au07 Au0B 66.74(7) . . ?
Au01 Au07 Au0I 137.20(11) . . ?
Au01 Au07 Au0J 149.98(10) . . ?
Au04 Au07 Au01 56.83(7) . . ?
Au04 Au07 Au0B 108.16(9) . . ?
Au04 Au07 Au0I 134.67(13) . . ?
Au04 Au07 Au0J 99.14(9) . . ?
Au05 Au07 Au01 66.55(8) . . ?
Au05 Au07 Au04 60.50(8) . . ?
Au05 Au07 Au0B 58.47(8) . . ?
Au05 Au07 Au0H 60.60(9) . . ?
Au05 Au07 Au0I 85.22(11) . . ?
Au05 Au07 Au0J 120.26(12) . . ?
Au0B Au07 Au0J 143.08(10) . . ?
Au0H Au07 Au01 112.54(10) . . ?
Au0H Au07 Au04 61.97(8) . . ?
Au0H Au07 Au0B 111.66(11) . . ?
Au0H Au07 Au0I 75.98(10) . . ?
Au0H Au07 Au0J 60.52(9) . . ?
Au0I Au07 Au0B 71.19(9) . . ?
Au0I Au07 Au0J 71.96(10) . . ?
S00M Au07 Au01 98.2(3) . . ?
S00M Au07 Au04 119.4(3) . . ?
S00M Au07 Au05 162.5(3) . . ?
S00M Au07 Au0B 108.6(3) . . ?
S00M Au07 Au0H 136.3(3) . . ?
S00M Au07 Au0I 102.2(3) . . ?
S00M Au07 Au0J 77.2(3) . . ?
Au02 Au08 Au03 53.00(7) . . ?
Au04 Au08 Au02 59.28(8) . . ?
Au04 Au08 Au03 55.85(7) . . ?
Au04 Au08 Au09 62.75(8) . . ?
Au04 Au08 Au0E 57.95(8) . . ?
Au04 Au08 Au0G 94.96(10) . . ?
Au09 Au08 Au02 91.88(8) . . ?
Au09 Au08 Au03 118.35(9) . . ?
Au09 Au08 Au0E 57.67(9) . . ?
Au09 Au08 Au0G 124.24(12) . . ?
Au0E Au08 Au02 117.18(9) . . ?
Au0E Au08 Au03 92.20(9) . . ?
Au0E Au08 Au0G 67.10(9) . . ?
Au0G Au08 Au02 121.02(10) . . ?
Au0G Au08 Au03 68.41(7) . . ?
P00R Au08 Au02 87.0(4) . . ?
P00R Au08 Au03 114.0(5) . . ?
P00R Au08 Au04 144.5(4) . . ?
P00R Au08 Au09 111.9(4) . . ?
P00R Au08 Au0E 152.4(5) . . ?
P00R Au08 Au0G 113.4(3) . . ?
Au04 Au09 Au0D 114.66(11) . . ?
Au04 Au09 Au0H 59.83(7) . . ?
Au04 Au09 Au0J 97.99(9) . . ?
Au08 Au09 Au04 57.11(7) . . ?
Au08 Au09 Au0D 123.21(11) . . ?
Au08 Au09 Au0H 115.04(10) . . ?
Au08 Au09 Au0J 142.48(12) . . ?
Au0D Au09 Au0J 91.58(10) . . ?
Au0E Au09 Au04 58.00(8) . . ?
Au0E Au09 Au08 63.21(9) . . ?
Au0E Au09 Au0D 67.34(9) . . ?
Au0E Au09 Au0H 72.04(9) . . ?
Au0E Au09 Au0J 130.73(12) . . ?
Au0H Au09 Au0D 71.94(9) . . ?
Au0H Au09 Au0J 58.97(9) . . ?
S00U Au09 Au04 128.6(5) . . ?
S00U Au09 Au08 128.2(5) . . ?
S00U Au09 Au0D 101.3(6) . . ?
S00U Au09 Au0E 168.3(6) . . ?
S00U Au09 Au0H 102.2(4) . . ?
S00U Au09 Au0J 43.5(4) . . ?
Au01 Au0A Au03 51.94(7) . . ?
Au02 Au0A Au01 54.56(7) . . ?
Au02 Au0A Au03 51.79(7) . . ?
S00L Au0A Au01 87.1(3) . . ?
S00L Au0A Au02 97.3(3) . . ?
S00L Au0A Au03 137.3(3) . . ?
S00Q Au0A Au01 101.6(4) . . ?
S00Q Au0A Au02 84.0(4) . . ?
S00Q Au0A Au03 50.2(4) . . ?
S00Q Au0A S00L 170.0(6) . . ?
Au05 Au0B Au01 58.70(7) . . ?
Au05 Au0B Au07 52.46(7) . . ?
Au07 Au0B Au01 53.32(6) . . ?
S00S Au0B Au01 44.8(3) . . ?
S00S Au0B Au05 96.9(3) . . ?
S00S Au0B Au07 94.2(4) . . ?
S00W Au0B Au01 140.2(4) . . ?
S00W Au0B Au05 87.5(4) . . ?
S00W Au0B Au07 90.3(4) . . ?
S00W Au0B S00S 175.1(5) . . ?
Au05 Au0C Au0E 86.10(9) . . ?
S00K Au0C Au05 51.6(3) . . ?
S00K Au0C Au0E 132.0(4) . . ?
S00N Au0C Au05 126.5(4) . . ?
S00N Au0C Au0E 45.5(4) . . ?
S00N Au0C S00K 177.5(6) . . ?
Au09 Au0D Au0E 52.89(7) . . ?
S00P Au0D Au09 92.4(5) . . ?
S00P Au0D Au0E 87.4(3) . . ?
S00V Au0D Au09 91.7(4) . . ?
S00V Au0D Au0E 97.3(4) . . ?
S00V Au0D S00P 175.0(5) . . ?
Au04 Au0E Au08 57.33(8) . . ?
Au04 Au0E Au09 63.09(9) . . ?
Au04 Au0E Au0C 78.43(8) . . ?
Au04 Au0E Au0D 112.58(10) . . ?
Au04 Au0E Au0F 129.42(12) . . ?
Au04 Au0E Au0G 88.51(9) . . ?
Au04 Au0E Au0H 55.78(7) . . ?
Au08 Au0E Au0C 128.09(10) . . ?
Au08 Au0E Au0D 113.00(10) . . ?
Au08 Au0E Au0F 73.59(9) . . ?
Au08 Au0E Au0G 57.28(7) . . ?
Au08 Au0E Au0H 100.98(10) . . ?
Au09 Au0E Au08 59.12(8) . . ?
Au09 Au0E Au0C 124.95(10) . . ?
Au09 Au0E Au0D 59.77(9) . . ?
Au09 Au0E Au0F 82.73(10) . . ?
Au09 Au0E Au0G 115.94(11) . . ?
Au09 Au0E Au0H 56.50(8) . . ?
Au0C Au0E Au0H 69.72(8) . . ?
Au0D Au0E Au0C 107.92(9) . . ?
Au0D Au0E Au0G 147.78(10) . . ?
Au0D Au0E Au0H 64.23(7) . . ?
Au0F Au0E Au0C 150.02(11) . . ?
Au0F Au0E Au0D 74.21(8) . . ?
Au0F Au0E Au0G 73.58(8) . . ?
Au0F Au0E Au0H 132.03(10) . . ?
Au0G Au0E Au0C 99.78(9) . . ?
Au0G Au0E Au0H 143.78(10) . . ?
S00N Au0E Au04 121.5(3) . . ?
S00N Au0E Au08 159.3(4) . . ?
S00N Au0E Au09 141.1(4) . . ?
S00N Au0E Au0C 43.3(3) . . ?
S00N Au0E Au0D 86.9(4) . . ?
S00N Au0E Au0F 108.6(3) . . ?
S00N Au0E Au0G 103.0(4) . . ?
S00N Au0E Au0H 92.5(3) . . ?
S00O Au0F Au0E 94.3(4) . . ?
S00O Au0F S00P 171.3(5) . . ?
S00P Au0F Au0E 94.3(3) . . ?
Au08 Au0G Au0E 55.63(8) . . ?
S00O Au0G Au08 77.1(3) . . ?
S00O Au0G Au0E 86.0(3) . . ?
S00O Au0G S00X 161.5(6) . . ?
S00X Au0G Au08 102.5(4) . . ?
S00X Au0G Au0E 109.3(4) . . ?
Au04 Au0H Au09 58.91(7) . . ?
Au04 Au0H Au0E 51.16(7) . . ?
Au04 Au0H Au0J 103.23(12) . . ?
Au05 Au0H Au04 59.19(7) . . ?
Au05 Au0H Au07 58.61(8) . . ?
Au05 Au0H Au09 118.07(9) . . ?
Au05 Au0H Au0E 89.97(8) . . ?
Au05 Au0H Au0J 126.44(12) . . ?
Au07 Au0H Au04 59.96(8) . . ?
Au07 Au0H Au09 88.90(10) . . ?
Au07 Au0H Au0E 110.74(9) . . ?
Au07 Au0H Au0J 68.81(10) . . ?
Au09 Au0H Au0E 51.46(7) . . ?
Au09 Au0H Au0J 67.61(9) . . ?
Au0J Au0H Au0E 118.87(10) . . ?
S00V Au0H Au04 142.5(4) . . ?
S00V Au0H Au05 141.9(6) . . ?
S00V Au0H Au07 150.6(5) . . ?
S00V Au0H Au09 92.5(5) . . ?
S00V Au0H Au0E 92.6(4) . . ?
S00V Au0H Au0J 84.6(6) . . ?
S00W Au0I Au07 95.1(3) . . ?
S00W Au0I S00Y 168.2(6) . . ?
S00Y Au0I Au07 92.3(5) . . ?
Au07 Au0J Au09 73.00(7) . . ?
Au0H Au0J Au07 50.67(8) . . ?
Au0H Au0J Au09 53.42(8) . . ?
S00U Au0J Au07 105.0(5) . . ?
S00U Au0J Au09 44.5(4) . . ?
S00U Au0J Au0H 97.7(5) . . ?
S00U Au0J S00Y 168.3(8) . . ?
S00Y Au0J Au07 83.8(4) . . ?
S00Y Au0J Au09 147.1(7) . . ?
S00Y Au0J Au0H 93.9(7) . . ?
Au0C S00K Au05 78.3(4) . . ?
C59 S00K Au05 104.1(15) . . ?
C59 S00K Au0C 109.5(17) . . ?
Au06 S00L Au0A 95.3(5) . . ?
C33 S00L Au06 113(3) . . ?
C33 S00L Au0A 101(2) . . ?
Au06 S00M Au07 95.2(4) . . ?
C49 S00M Au06 110.5(15) . . ?
C49 S00M Au07 102.4(13) . . ?
Au0C S00N Au0E 91.2(5) . . ?
C6 S00N Au0C 108.7(13) . . ?
C6 S00N Au0E 111.7(14) . . ?
Au0F S00O Au0G 105.7(5) . . ?
C69 S00O Au0F 107(2) . . ?
C69 S00O Au0G 107.9(16) . . ?
Au0F S00P Au0D 103.6(5) . . ?
C220 S00P Au0D 105(2) . . ?
C220 S00P Au0F 104.9(16) . . ?
Au0A S00Q Au03 85.7(5) . . ?
C73 S00Q Au03 116(2) . . ?
C73 S00Q Au0A 106(2) . . ?
C62 P00R Au08 107.6(17) . . ?
C121 P00R Au08 113.5(17) . . ?
C121 P00R C62 100(2) . . ?
C50 P00R Au08 121.4(16) . . ?
C50 P00R C62 107(2) . . ?
C50 P00R C121 105(2) . . ?
Au0B S00S Au01 90.9(4) . . ?
C42 S00S Au01 115.2(18) . . ?
C42 S00S Au0B 95.5(16) . . ?
C62 P00T Au02 112.6(18) . . ?
C57 P00T Au02 118.7(16) . . ?
C57 P00T C62 103(2) . . ?
C30 P00T Au02 116.5(17) . . ?
C30 P00T C62 105(2) . . ?
C30 P00T C57 99(2) . . ?
Au0J S00U Au09 91.9(7) . . ?
C19 S00U Au09 111.2(19) . . ?
C19 S00U Au0J 106.6(19) . . ?
Au0D S00V Au0H 95.0(5) . . ?
C13 S00V Au0D 102(2) . . ?
C13 S00V Au0H 110(3) . . ?
Au0B S00W Au0I 101.4(6) . . ?
C132 S00W Au0B 101.3(15) . . ?
C132 S00W Au0I 114.4(17) . . ?
Au0G S00X Au03 93.3(6) . . ?
C110 S00X Au03 105.3(17) . . ?
C110 S00X Au0G 112(2) . . ?
Au0J S00Y Au0I 105.5(6) . . ?
C20 S00Y Au0I 107(2) . . ?
C20 S00Y Au0J 106.1(19) . . ?
P00R C62 P00T 115(3) . . ?
P00R C62 H62A 108.6 . . ?
P00R C62 H62B 108.6 . . ?
P00T C62 H62A 108.6 . . ?
P00T C62 H62B 108.6 . . ?
H62A C62 H62B 107.6 . . ?
H55A C55 H55B 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.4 . . ?
C183 C55 H55A 109.4 . . ?
C183 C55 H55B 107.5 . . ?
C183 C55 H55C 111.6 . . ?
C76 C67 H67 114.3 . . ?
C151 C67 H67 114.3 . . ?
C151 C67 C76 102(4) . . ?
C106 C67 H67 114.3 . . ?
C106 C67 C76 104(4) . . ?
C106 C67 C151 107(5) . . ?
S00O C69 H69 106.5 . . ?
C183 C69 S00O 117(4) . . ?
C183 C69 H69 106.5 . . ?
C106 C69 S00O 117(4) . . ?
C106 C69 H69 106.5 . . ?
C106 C69 C183 102(4) . . ?
C67 C76 C119 112(5) . . ?
C67 C76 C183 91.1(10) . . ?
C119 C76 C183 113(5) . . ?
C235 C76 C67 111(5) . . ?
C235 C76 C119 110(5) . . ?
C235 C76 C183 118(5) . . ?
C76 C119 H11A 109.5 . . ?
C76 C119 H11B 109.5 . . ?
C76 C119 H11C 109.5 . . ?
H11A C119 H11B 109.5 . . ?
H11A C119 H11C 109.5 . . ?
H11B C119 H11C 109.5 . . ?
C67 C151 H15A 110.9 . . ?
C67 C151 H15B 110.9 . . ?
C67 C151 C158 104(4) . . ?
H15A C151 H15B 108.9 . . ?
C158 C151 H15A 110.9 . . ?
C158 C151 H15B 110.9 . . ?
C151 C158 H15C 111.7 . . ?
C151 C158 H15D 111.7 . . ?
C151 C158 C183 100(4) . . ?
H15C C158 H15D 109.5 . . ?
C183 C158 H15C 111.7 . . ?
C183 C158 H15D 111.7 . . ?
C76 C235 H23A 109.5 . . ?
C76 C235 H23B 109.5 . . ?
C76 C235 H23C 109.5 . . ?
H23A C235 H23B 109.5 . . ?
H23A C235 H23C 109.5 . . ?
H23B C235 H23C 109.5 . . ?
C55 C183 C69 119(5) . . ?
C55 C183 C76 111(4) . . ?
C55 C183 C158 109(5) . . ?
C69 C183 C158 108.3(13) . . ?
C76 C183 C69 106(4) . . ?
C76 C183 C158 102(4) . . ?
C85 C170 H170 120.0 . . ?
C85 C170 C121 120.0 . . ?
C121 C170 H170 120.0 . . ?
C170 C85 H85 120.0 . . ?
C170 C85 C129 120.0 . . ?
C129 C85 H85 120.0 . . ?
C85 C129 H129 120.0 . . ?
C1 C129 C85 120.0 . . ?
C1 C129 H129 120.0 . . ?
C129 C1 H1 120.0 . . ?
C201 C1 C129 120.0 . . ?
C201 C1 H1 120.0 . . ?
C1 C201 H201 120.0 . . ?
C121 C201 C1 120.0 . . ?
C121 C201 H201 120.0 . . ?
C170 C121 P00R 120(3) . . ?
C201 C121 P00R 120(3) . . ?
C201 C121 C170 120.0 . . ?
C199 C276 H276 120.0 . . ?
C199 C276 C2 120.0 . . ?
C2 C276 H276 120.0 . . ?
C276 C199 H199 120.0 . . ?
C276 C199 C57 120.0 . . ?
C57 C199 H199 120.0 . . ?
C199 C57 P00T 123(3) . . ?
C199 C57 C88 120.0 . . ?
C88 C57 P00T 116(3) . . ?
C57 C88 H88 120.0 . . ?
C70 C88 C57 120.0 . . ?
C70 C88 H88 120.0 . . ?
C88 C70 H70 120.0 . . ?
C88 C70 C2 120.0 . . ?
C2 C70 H70 120.0 . . ?
C276 C2 H2 120.0 . . ?
C70 C2 C276 120.0 . . ?
C70 C2 H2 120.0 . . ?
C141 C3 H3 120.0 . . ?
C141 C3 C99 120.0 . . ?
C99 C3 H3 120.0 . . ?
C3 C141 H141 120.0 . . ?
C50 C141 C3 120.0 . . ?
C50 C141 H141 120.0 . . ?
C141 C50 P00R 126(3) . . ?
C65 C50 P00R 114(3) . . ?
C65 C50 C141 120.0 . . ?
C50 C65 H65 120.0 . . ?
C50 C65 C66 120.0 . . ?
C66 C65 H65 120.0 . . ?
C65 C66 H66 120.0 . . ?
C99 C66 C65 120.0 . . ?
C99 C66 H66 120.0 . . ?
C3 C99 H99 120.0 . . ?
C66 C99 C3 120.0 . . ?
C66 C99 H99 120.0 . . ?
C188 C167 H167 120.0 . . ?
C188 C167 C4 120.0 . . ?
C4 C167 H167 120.0 . . ?
C167 C188 H188 120.0 . . ?
C30 C188 C167 120.0 . . ?
C30 C188 H188 120.0 . . ?
C188 C30 P00T 120(2) . . ?
C188 C30 C60 120.0 . . ?
C60 C30 P00T 120(2) . . ?
C30 C60 H60 120.0 . . ?
C30 C60 C127 120.0 . . ?
C127 C60 H60 120.0 . . ?
C60 C127 H127 120.0 . . ?
C4 C127 C60 120.0 . . ?
C4 C127 H127 120.0 . . ?
C167 C4 H4 120.0 . . ?
C127 C4 C167 120.0 . . ?
C127 C4 H4 120.0 . . ?
S00K C59 H59 106.8 . . ?
C83 C59 S00K 116(3) . . ?
C83 C59 H59 106.8 . . ?
C212 C59 S00K 115(4) . . ?
C212 C59 H59 106.8 . . ?
C212 C59 C83 105.0(17) . . ?
C166 C71 H71 117.2 . . ?
C166 C71 C181 100.5(10) . . ?
C166 C71 C212 101.5(11) . . ?
C181 C71 H71 117.2 . . ?
C212 C71 H71 117.2 . . ?
C212 C71 C181 100.4(10) . . ?
C123 C83 C59 101.7(11) . . ?
C5 C83 C59 126(4) . . ?
C5 C83 C123 117(4) . . ?
C5 C83 C181 106.4(12) . . ?
C181 C83 C59 100.7(10) . . ?
C181 C83 C123 100.7(10) . . ?
H11D C111 H11E 109.5 . . ?
H11D C111 H11F 109.5 . . ?
H11E C111 H11F 109.5 . . ?
C181 C111 H11D 109.6 . . ?
C181 C111 H11E 108.1 . . ?
C181 C111 H11F 110.6 . . ?
C83 C123 H12A 110.7 . . ?
C83 C123 H12B 110.7 . . ?
H12A C123 H12B 108.8 . . ?
C166 C123 C83 105.1(17) . . ?
C166 C123 H12A 110.7 . . ?
C166 C123 H12B 110.7 . . ?
C83 C5 H5A 103.8 . . ?
C83 C5 H5B 108.0 . . ?
C83 C5 H5C 116.4 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.4 . . ?
C71 C166 H16A 110.7 . . ?
C71 C166 H16B 110.7 . . ?
C123 C166 C71 105.1(17) . . ?
C123 C166 H16A 110.7 . . ?
C123 C166 H16B 110.7 . . ?
H16A C166 H16B 108.8 . . ?
C83 C181 C71 97.5(7) . . ?
C111 C181 C71 109.7(11) . . ?
C111 C181 C83 110.3(11) . . ?
C211 C181 C71 109.9(11) . . ?
C211 C181 C83 110.4(11) . . ?
C211 C181 C111 117.2(10) . . ?
C59 C212 C71 105.3(17) . . ?
C59 C212 H21A 110.7 . . ?
C59 C212 H21B 110.7 . . ?
C71 C212 H21A 110.7 . . ?
C71 C212 H21B 110.7 . . ?
H21A C212 H21B 108.8 . . ?
C8 C58 C104 84.1(13) . . ?
C10 C58 C8 118(4) . . ?
C10 C58 C104 114(4) . . ?
C10 C58 C9 119(4) . . ?
C9 C58 C8 108.2(12) . . ?
C9 C58 C104 107.8(12) . . ?
C68 C8 C58 119(4) . . ?
C68 C8 C6 109(4) . . ?
C68 C8 C86 106(4) . . ?
C6 C8 C58 107.7(12) . . ?
C6 C8 C86 107.6(12) . . ?
C86 C8 C58 107.5(12) . . ?
H7A C7 H7B 109.8 . . ?
C6 C7 H7A 112.2 . . ?
C6 C7 H7B 112.2 . . ?
C6 C7 C104 97.9(17) . . ?
C104 C7 H7A 112.2 . . ?
C104 C7 H7B 112.2 . . ?
C8 C68 H68A 109.1 . . ?
C8 C68 H68B 108.9 . . ?
C8 C68 H68C 110.3 . . ?
H68A C68 H68B 109.5 . . ?
H68A C68 H68C 109.5 . . ?
H68B C68 H68C 109.5 . . ?
S00N C6 H6 108.5 . . ?
C8 C6 S00N 118(3) . . ?
C8 C6 H6 108.5 . . ?
C7 C6 S00N 111(3) . . ?
C7 C6 C8 101.8(15) . . ?
C7 C6 H6 108.5 . . ?
C58 C104 H104 111.1 . . ?
C7 C104 C58 107.8(13) . . ?
C7 C104 H104 111.1 . . ?
C7 C104 C89 108.0(13) . . ?
C89 C104 C58 107.5(12) . . ?
C89 C104 H104 111.1 . . ?
C181 C211 H21C 111.5 . . ?
C181 C211 H21D 109.7 . . ?
C181 C211 H21E 107.2 . . ?
H21C C211 H21D 109.5 . . ?
H21C C211 H21E 109.4 . . ?
H21D C211 H21E 109.5 . . ?
C58 C10 H10A 109.6 . . ?
C58 C10 H10B 107.8 . . ?
C58 C10 H10C 110.8 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.6 . . ?
H10B C10 H10C 109.5 . . ?
C8 C86 H86A 112.1 . . ?
C8 C86 H86B 112.1 . . ?
H86A C86 H86B 109.8 . . ?
C89 C86 C8 98.1(17) . . ?
C89 C86 H86A 112.1 . . ?
C89 C86 H86B 112.1 . . ?
C104 C89 H89A 111.5 . . ?
C104 C89 H89B 111.5 . . ?
C86 C89 C104 101.6(16) . . ?
C86 C89 H89A 111.5 . . ?
C86 C89 H89B 111.5 . . ?
H89A C89 H89B 109.3 . . ?
C58 C9 H9A 104.6 . . ?
C58 C9 H9B 112.8 . . ?
C58 C9 H9C 110.8 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.4 . . ?
H9B C9 H9C 109.5 . . ?
S00V C13 H13 104.7 . . ?
C251 C13 S00V 114(5) . . ?
C251 C13 H13 104.7 . . ?
C15 C13 S00V 120(4) . . ?
C15 C13 H13 104.7 . . ?
C15 C13 C251 107(4) . . ?
C13 C251 H25A 112.3 . . ?
C13 C251 H25B 112.3 . . ?
C13 C251 C17 98(3) . . ?
H25A C251 H25B 109.9 . . ?
C17 C251 H25A 112.3 . . ?
C17 C251 H25B 112.3 . . ?
S00P C220 H220 106.4 . . ?
C12 C220 S00P 116(4) . . ?
C12 C220 H220 106.4 . . ?
C137 C220 S00P 120(3) . . ?
C137 C220 H220 106.4 . . ?
C137 C220 C12 100(4) . . ?
C220 C12 H12C 111.5 . . ?
C220 C12 H12D 111.5 . . ?
C220 C12 C162 101(4) . . ?
H12C C12 H12D 109.3 . . ?
C162 C12 H12C 111.5 . . ?
C162 C12 H12D 111.5 . . ?
H90A C90 H90B 109.5 . . ?
H90A C90 H90C 109.5 . . ?
H90B C90 H90C 109.5 . . ?
C108 C90 H90A 107.8 . . ?
C108 C90 H90B 108.8 . . ?
C108 C90 H90C 111.8 . . ?
H93A C93 H93B 110.4 . . ?
C162 C93 H93A 113.0 . . ?
C162 C93 H93B 113.0 . . ?
C162 C93 C14 94(3) . . ?
C14 C93 H93A 113.0 . . ?
C14 C93 H93B 113.0 . . ?
C90 C108 C137 124(5) . . ?
C90 C108 C162 121(4) . . ?
C90 C108 C11 109.4(13) . . ?
C162 C108 C137 87(4) . . ?
C11 C108 C137 99(4) . . ?
C11 C108 C162 114(5) . . ?
C220 C137 C108 100(4) . . ?
C220 C137 C14 106(4) . . ?
C108 C137 C14 107.7(12) . . ?
C195 C137 C220 108.5(13) . . ?
C195 C137 C108 124(4) . . ?
C195 C137 C14 108.6(13) . . ?
C12 C162 C93 113(6) . . ?
C12 C162 H162 110.2 . . ?
C93 C162 H162 110.2 . . ?
C108 C162 C12 97(5) . . ?
C108 C162 C93 115(4) . . ?
C108 C162 H162 110.2 . . ?
C93 C14 C137 107.7(12) . . ?
C93 C14 H14A 110.2 . . ?
C93 C14 H14B 110.2 . . ?
C137 C14 H14A 110.2 . . ?
C137 C14 H14B 110.2 . . ?
H14A C14 H14B 108.5 . . ?
C108 C11 H11G 100.2 . . ?
C108 C11 H11H 108.8 . . ?
C108 C11 H11I 118.9 . . ?
H11G C11 H11H 109.5 . . ?
H11G C11 H11I 109.5 . . ?
H11H C11 H11I 109.4 . . ?
C137 C195 H19A 110.3 . . ?
C137 C195 H19B 111.1 . . ?
C137 C195 H19C 106.9 . . ?
H19A C195 H19B 109.5 . . ?
H19A C195 H19C 109.5 . . ?
H19B C195 H19C 109.4 . . ?
H18A C18 H18B 109.4 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C15 C18 H18A 109.1 . . ?
C15 C18 H18B 112.8 . . ?
C15 C18 H18C 106.5 . . ?
H16C C16 H16D 109.4 . . ?
H16C C16 H16E 109.5 . . ?
H16D C16 H16E 109.6 . . ?
C95 C16 H16C 104.1 . . ?
C95 C16 H16D 115.1 . . ?
C95 C16 H16E 109.0 . . ?
C16 C95 C17 108.4(13) . . ?
C16 C95 C15 118(5) . . ?
C124 C95 C16 108.8(13) . . ?
C124 C95 C17 108.8(13) . . ?
C124 C95 C15 119(5) . . ?
C15 C95 C17 91.0(10) . . ?
C95 C124 H12E 110.7 . . ?
C95 C124 H12F 109.1 . . ?
C95 C124 H12G 108.7 . . ?
H12E C124 H12F 109.4 . . ?
H12E C124 H12G 109.4 . . ?
H12F C124 H12G 109.5 . . ?
C251 C17 H17 114.8 . . ?
C95 C17 C251 108.0(13) . . ?
C95 C17 H17 114.8 . . ?
C351 C17 C251 107.9(13) . . ?
C351 C17 C95 95(4) . . ?
C351 C17 H17 114.8 . . ?
H13A C130 H13B 110.7 . . ?
C15 C130 H13A 113.3 . . ?
C15 C130 H13B 113.3 . . ?
C15 C130 C351 92(4) . . ?
C351 C130 H13A 113.3 . . ?
C351 C130 H13B 113.3 . . ?
C13 C15 C95 102(5) . . ?
C13 C15 C130 108(6) . . ?
C18 C15 C13 108.9(13) . . ?
C18 C15 C95 119(5) . . ?
C18 C15 C130 109.0(13) . . ?
C130 C15 C95 108.5(13) . . ?
C17 C351 C130 113(5) . . ?
C17 C351 H35A 109.0 . . ?
C17 C351 H35B 109.0 . . ?
C130 C351 H35A 109.0 . . ?
C130 C351 H35B 109.0 . . ?
H35A C351 H35B 107.8 . . ?
S00U C19 H19 102.4 . . ?
C146 C19 S00U 118(3) . . ?
C146 C19 H19 102.4 . . ?
C22 C19 S00U 120(3) . . ?
C22 C19 H19 102.4 . . ?
C22 C19 C146 107.9(13) . . ?
C19 C146 H14C 112.4 . . ?
C19 C146 H14D 112.4 . . ?
H14C C146 H14D 110.0 . . ?
C101 C146 C19 96.8(11) . . ?
C101 C146 H14C 112.4 . . ?
C101 C146 H14D 112.4 . . ?
C41 C22 C19 108.2(13) . . ?
C203 C22 C19 97.9(19) . . ?
C203 C22 C41 108.5(12) . . ?
C203 C22 C325 125(2) . . ?
C325 C22 C19 108.3(13) . . ?
C325 C22 C41 108.1(12) . . ?
S00Y C20 H20 108.0 . . ?
C147 C20 S00Y 114(3) . . ?
C147 C20 H20 108.0 . . ?
C25 C20 S00Y 115(4) . . ?
C25 C20 H20 108.0 . . ?
C25 C20 C147 103.2(9) . . ?
C147 C82 C21 94.8(6) . . ?
C27 C82 C21 108.3(11) . . ?
C27 C82 C147 112.3(11) . . ?
C27 C82 C26 118.3(10) . . ?
C26 C82 C21 108.2(11) . . ?
C26 C82 C147 112.2(11) . . ?
C82 C21 H21 117.6 . . ?
C23 C21 C82 98.8(9) . . ?
C23 C21 H21 117.6 . . ?
C25 C21 C82 99.2(8) . . ?
C25 C21 H21 117.6 . . ?
C25 C21 C23 102.5(9) . . ?
C21 C23 H23D 110.2 . . ?
C21 C23 H23E 110.2 . . ?
H23D C23 H23E 108.5 . . ?
C24 C23 C21 107.5(14) . . ?
C24 C23 H23D 110.2 . . ?
C24 C23 H23E 110.2 . . ?
C20 C147 C82 103.1(9) . . ?
C24 C147 C20 105.1(10) . . ?
C24 C147 C82 103.4(10) . . ?
C150 C147 C20 114.7(11) . . ?
C150 C147 C82 114.4(11) . . ?
C150 C147 C24 114.7(11) . . ?
C23 C24 C147 101.8(14) . . ?
C23 C24 H24A 111.4 . . ?
C23 C24 H24B 111.4 . . ?
C147 C24 H24A 111.4 . . ?
C147 C24 H24B 111.4 . . ?
H24A C24 H24B 109.3 . . ?
C20 C25 C21 106.2(9) . . ?
C20 C25 H25C 110.5 . . ?
C20 C25 H25D 110.5 . . ?
C21 C25 H25C 110.5 . . ?
C21 C25 H25D 110.5 . . ?
H25C C25 H25D 108.7 . . ?
C82 C27 H27A 109.3 . . ?
C82 C27 H27B 110.3 . . ?
C82 C27 H27C 108.9 . . ?
H27A C27 H27B 109.4 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C82 C26 H26A 109.3 . . ?
C82 C26 H26B 109.5 . . ?
C82 C26 H26C 109.6 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C147 C150 H15E 108.0 . . ?
C147 C150 H15F 109.8 . . ?
C147 C150 H15G 110.5 . . ?
H15E C150 H15F 109.5 . . ?
H15E C150 H15G 109.5 . . ?
H15F C150 H15G 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.4 . . ?
H29B C29 H29C 109.6 . . ?
C28 C29 H29A 109.2 . . ?
C28 C29 H29B 109.8 . . ?
C28 C29 H29C 109.4 . . ?
C29 C28 C32 111(4) . . ?
C29 C28 C110 115(4) . . ?
C32 C28 C110 107.4(13) . . ?
C31 C28 C29 108.1(12) . . ?
C31 C28 C32 108.1(12) . . ?
C31 C28 C110 106(4) . . ?
C28 C32 H32A 111.8 . . ?
C28 C32 H32B 111.8 . . ?
H32A C32 H32B 109.5 . . ?
C128 C32 C28 100(2) . . ?
C128 C32 H32A 111.8 . . ?
C128 C32 H32B 111.8 . . ?
S00X C110 H110 109.5 . . ?
C28 C110 S00X 117(3) . . ?
C28 C110 H110 109.5 . . ?
C116 C110 S00X 112(4) . . ?
C116 C110 C28 98(4) . . ?
C116 C110 H110 109.5 . . ?
C110 C116 H11J 111.4 . . ?
C110 C116 H11K 111.4 . . ?
H11J C116 H11K 109.2 . . ?
C187 C116 C110 102(4) . . ?
C187 C116 H11J 111.4 . . ?
C187 C116 H11K 111.4 . . ?
C32 C128 H12H 111.6 . . ?
C32 C128 H12I 111.6 . . ?
C32 C128 C187 101(3) . . ?
H12H C128 H12I 109.4 . . ?
C187 C128 H12H 111.6 . . ?
C187 C128 H12I 111.6 . . ?
C28 C31 C187 86(2) . . ?
C72 C31 C28 108.8(12) . . ?
C72 C31 C187 108.1(12) . . ?
C353 C31 C28 118(3) . . ?
C353 C31 C187 125(3) . . ?
C353 C31 C72 108.6(13) . . ?
C116 C187 C128 113(6) . . ?
C116 C187 C31 100(4) . . ?
C116 C187 H187 111.8 . . ?
C128 C187 H187 111.8 . . ?
C31 C187 C128 107.9(13) . . ?
C31 C187 H187 111.8 . . ?
C31 C72 H72A 112.5 . . ?
C31 C72 H72B 108.1 . . ?
C31 C72 H72C 107.7 . . ?
H72A C72 H72B 109.4 . . ?
H72A C72 H72C 109.5 . . ?
H72B C72 H72C 109.5 . . ?
C31 C353 H35C 108.1 . . ?
C31 C353 H35D 112.3 . . ?
C31 C353 H35E 108.0 . . ?
H35C C353 H35D 109.4 . . ?
H35C C353 H35E 109.4 . . ?
H35D C353 H35E 109.5 . . ?
H34A C34 H34B 108.9 . . ?
C33 C34 H34A 110.9 . . ?
C33 C34 H34B 110.9 . . ?
C33 C34 C113 104.3(10) . . ?
C113 C34 H34A 110.9 . . ?
C113 C34 H34B 110.9 . . ?
S00L C33 H33 102.8 . . ?
C34 C33 S00L 117(5) . . ?
C34 C33 H33 102.8 . . ?
C38 C33 S00L 125(5) . . ?
C38 C33 C34 103.1(11) . . ?
C38 C33 H33 102.8 . . ?
C125 C36 C113 105.8(12) . . ?
C125 C36 C38 127(3) . . ?
C38 C36 C113 94.0(7) . . ?
C340 C36 C113 106.2(12) . . ?
C340 C36 C125 110.6(13) . . ?
C340 C36 C38 109.6(13) . . ?
H35F C35 H35G 108.8 . . ?
C38 C35 H35F 110.6 . . ?
C38 C35 H35G 110.6 . . ?
C38 C35 C191 105.5(11) . . ?
C191 C35 H35F 110.6 . . ?
C191 C35 H35G 110.6 . . ?
C34 C113 C36 100.7(8) . . ?
C34 C113 H113 116.5 . . ?
C36 C113 H113 116.5 . . ?
C191 C113 C34 102.7(10) . . ?
C191 C113 C36 101.6(9) . . ?
C191 C113 H113 116.5 . . ?
C36 C125 H12J 119.5 . . ?
C36 C125 H12K 113.5 . . ?
C36 C125 H12L 94.1 . . ?
H12J C125 H12K 109.5 . . ?
H12J C125 H12L 109.5 . . ?
H12K C125 H12L 109.5 . . ?
H14E C149 H14F 109.6 . . ?
H14E C149 H14G 109.5 . . ?
H14F C149 H14G 109.4 . . ?
C38 C149 H14E 110.5 . . ?
C38 C149 H14F 109.3 . . ?
C38 C149 H14G 108.4 . . ?
C33 C38 C36 102(3) . . ?
C33 C38 C35 103(5) . . ?
C35 C38 C36 105.4(11) . . ?
C149 C38 C33 116.1(12) . . ?
C149 C38 C36 114.1(12) . . ?
C149 C38 C35 114.7(13) . . ?
C36 C340 H34C 95.5 . . ?
C36 C340 H34D 112.6 . . ?
C36 C340 H34E 119.2 . . ?
H34C C340 H34D 109.4 . . ?
H34C C340 H34E 109.5 . . ?
H34D C340 H34E 109.5 . . ?
C35 C191 C113 101.3(12) . . ?
C35 C191 H19D 111.5 . . ?
C35 C191 H19E 111.5 . . ?
C113 C191 H19D 111.5 . . ?
C113 C191 H19E 111.5 . . ?
H19D C191 H19E 109.3 . . ?
S00W C132 H132 105.7 . . ?
C37 C132 S00W 124(2) . . ?
C37 C132 H132 105.7 . . ?
C100 C132 S00W 109(3) . . ?
C100 C132 H132 105.7 . . ?
C100 C132 C37 105.3(9) . . ?
C132 C37 C40 104.4(9) . . ?
C39 C37 C132 106.1(11) . . ?
C39 C37 C40 105.5(11) . . ?
C312 C37 C132 107.7(12) . . ?
C312 C37 C39 108.4(12) . . ?
C312 C37 C40 124(2) . . ?
C132 C100 H10D 112.3 . . ?
C132 C100 H10E 112.3 . . ?
H10D C100 H10E 109.9 . . ?
C120 C100 C132 97.3(10) . . ?
C120 C100 H10D 112.3 . . ?
C120 C100 H10E 112.3 . . ?
C37 C39 H39A 112.1 . . ?
C37 C39 H39B 112.1 . . ?
H39A C39 H39B 109.7 . . ?
C136 C39 C37 98.5(15) . . ?
C136 C39 H39A 112.1 . . ?
C136 C39 H39B 112.1 . . ?
C100 C120 H120 112.7 . . ?
C100 C120 C40 106.2(10) . . ?
C100 C120 C136 106.5(12) . . ?
C40 C120 H120 112.7 . . ?
C136 C120 H120 112.7 . . ?
C136 C120 C40 105.5(10) . . ?
C120 C40 C37 88.0(7) . . ?
C230 C40 C37 112(3) . . ?
C230 C40 C120 112(3) . . ?
C298 C40 C37 112(3) . . ?
C298 C40 C120 113(3) . . ?
C298 C40 C230 117(5) . . ?
C39 C136 C120 104.3(13) . . ?
C39 C136 H13C 110.9 . . ?
C39 C136 H13D 110.9 . . ?
C120 C136 H13C 110.9 . . ?
C120 C136 H13D 110.9 . . ?
H13C C136 H13D 108.9 . . ?
C40 C230 H23F 106.1 . . ?
C40 C230 H23G 112.0 . . ?
C40 C230 H23H 110.2 . . ?
H23F C230 H23G 109.5 . . ?
H23F C230 H23H 109.5 . . ?
H23G C230 H23H 109.5 . . ?
C40 C298 H29D 106.9 . . ?
C40 C298 H29E 108.6 . . ?
C40 C298 H29F 112.9 . . ?
H29D C298 H29E 109.5 . . ?
H29D C298 H29F 109.5 . . ?
H29E C298 H29F 109.4 . . ?
C37 C312 H31A 105.8 . . ?
C37 C312 H31B 110.4 . . ?
C37 C312 H31C 112.3 . . ?
H31A C312 H31B 109.5 . . ?
H31A C312 H31C 109.5 . . ?
H31B C312 H31C 109.3 . . ?
C22 C41 H41A 112.2 . . ?
C22 C41 H41B 112.2 . . ?
C22 C41 C247 98.0(10) . . ?
H41A C41 H41B 109.8 . . ?
C247 C41 H41A 112.2 . . ?
C247 C41 H41B 112.2 . . ?
C146 C101 H101 112.1 . . ?
C247 C101 C146 108.3(13) . . ?
C247 C101 H101 112.1 . . ?
C203 C101 C146 103(3) . . ?
C203 C101 H101 112.1 . . ?
C203 C101 C247 108.4(13) . . ?
C41 C247 H24C 111.6 . . ?
C41 C247 H24D 111.6 . . ?
C101 C247 C41 101(2) . . ?
C101 C247 H24C 111.6 . . ?
C101 C247 H24D 111.6 . . ?
H24C C247 H24D 109.4 . . ?
H12M C126 H12N 109.5 . . ?
H12M C126 H12O 109.5 . . ?
H12N C126 H12O 109.4 . . ?
C203 C126 H12M 110.5 . . ?
C203 C126 H12N 113.3 . . ?
C203 C126 H12O 104.5 . . ?
C22 C203 C101 91.4(10) . . ?
C22 C203 C126 113(3) . . ?
C101 C203 C126 113(3) . . ?
C254 C203 C22 115(3) . . ?
C254 C203 C101 115(3) . . ?
C254 C203 C126 108.7(13) . . ?
C203 C254 H25E 109.5 . . ?
C203 C254 H25F 109.5 . . ?
C203 C254 H25G 109.5 . . ?
H25E C254 H25F 109.5 . . ?
H25E C254 H25G 109.5 . . ?
H25F C254 H25G 109.5 . . ?
C22 C325 H32C 108.0 . . ?
C22 C325 H32D 112.1 . . ?
C22 C325 H32E 108.3 . . ?
H32C C325 H32D 109.4 . . ?
H32C C325 H32E 109.5 . . ?
H32D C325 H32E 109.5 . . ?
H63A C63 H63B 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.4 . . ?
C47 C63 H63A 109.5 . . ?
C47 C63 H63B 110.0 . . ?
C47 C63 H63C 108.9 . . ?
H46A C46 H46B 108.4 . . ?
C45 C46 H46A 110.1 . . ?
C45 C46 H46B 110.1 . . ?
C45 C46 C44 108.0(12) . . ?
C44 C46 H46A 110.1 . . ?
C44 C46 H46B 110.1 . . ?
S00S C42 H42 103.1 . . ?
C45 C42 S00S 118(3) . . ?
C45 C42 H42 103.1 . . ?
C45 C42 C94 108.5(13) . . ?
C94 C42 S00S 118(3) . . ?
C94 C42 H42 103.1 . . ?
H48A C48 H48B 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C45 C48 H48A 112.0 . . ?
C45 C48 H48B 109.1 . . ?
C45 C48 H48C 107.3 . . ?
C46 C45 C47 98.4(12) . . ?
C42 C45 C46 112.1(13) . . ?
C42 C45 C47 98.9(13) . . ?
C48 C45 C46 115.2(11) . . ?
C48 C45 C42 115.2(11) . . ?
C48 C45 C47 114.7(12) . . ?
C63 C47 C43 110(5) . . ?
C45 C47 C63 114(4) . . ?
C45 C47 C43 91.2(9) . . ?
C45 C47 C179 129(4) . . ?
C179 C47 C63 108.7(13) . . ?
C179 C47 C43 100(4) . . ?
C42 C94 H94A 112.6 . . ?
C42 C94 H94B 112.6 . . ?
H94A C94 H94B 110.1 . . ?
C43 C94 C42 95.8(11) . . ?
C43 C94 H94A 112.6 . . ?
C43 C94 H94B 112.6 . . ?
C47 C43 H43 111.8 . . ?
C94 C43 C47 105.0(18) . . ?
C94 C43 H43 111.8 . . ?
C94 C43 C44 108.2(13) . . ?
C44 C43 C47 107.9(11) . . ?
C44 C43 H43 111.8 . . ?
C46 C44 H44A 112.6 . . ?
C46 C44 H44B 112.6 . . ?
C43 C44 C46 95.6(10) . . ?
C43 C44 H44A 112.6 . . ?
C43 C44 H44B 112.6 . . ?
H44A C44 H44B 110.1 . . ?
C47 C179 H17A 111.0 . . ?
C47 C179 H17B 111.0 . . ?
C47 C179 H17C 106.3 . . ?
H17A C179 H17B 109.5 . . ?
H17A C179 H17C 109.5 . . ?
H17B C179 H17C 109.5 . . ?
S00Q C73 H73 108.0 . . ?
C75 C73 S00Q 115(4) . . ?
C75 C73 H73 108.0 . . ?
C75 C73 C74 100(4) . . ?
C74 C73 S00Q 117(4) . . ?
C74 C73 H73 108.0 . . ?
C67 C106 H10F 111.3 . . ?
C67 C106 H10G 111.3 . . ?
C69 C106 C67 103(4) . . ?
C69 C106 H10F 111.2 . . ?
C69 C106 H10G 111.2 . . ?
H10F C106 H10G 109.2 . . ?
C73 C75 H75A 110.6 . . ?
C73 C75 H75B 110.6 . . ?
C73 C75 C156 106(5) . . ?
H75A C75 H75B 108.7 . . ?
C156 C75 H75A 110.6 . . ?
C156 C75 H75B 110.6 . . ?
H77A C77 H77B 109.4 . . ?
H77A C77 H77C 109.5 . . ?
H77B C77 H77C 109.5 . . ?
C74 C77 H77A 108.7 . . ?
C74 C77 H77B 101.7 . . ?
C74 C77 H77C 117.6 . . ?
C77 C74 C73 107(5) . . ?
C77 C74 C78 121(5) . . ?
C77 C74 C80 124(5) . . ?
C78 C74 C73 103(4) . . ?
C78 C74 C80 93(4) . . ?
C80 C74 C73 106(5) . . ?
C74 C78 H78A 108.1 . . ?
C74 C78 H78B 108.1 . . ?
H78A C78 H78B 107.3 . . ?
C79 C78 C74 117(5) . . ?
C79 C78 H78A 108.1 . . ?
C79 C78 H78B 108.1 . . ?
C78 C79 H79A 113.7 . . ?
C78 C79 H79B 113.7 . . ?
C78 C79 C156 89(5) . . ?
H79A C79 H79B 111.0 . . ?
C156 C79 H79A 113.7 . . ?
C156 C79 H79B 113.7 . . ?
H11L C117 H11M 109.5 . . ?
H11L C117 H11N 109.3 . . ?
H11M C117 H11N 109.5 . . ?
C80 C117 H11L 107.0 . . ?
C80 C117 H11M 111.6 . . ?
C80 C117 H11N 109.9 . . ?
C117 C80 C74 119(5) . . ?
C117 C80 C156 106(5) . . ?
C117 C80 C347 108(5) . . ?
C156 C80 C74 93(4) . . ?
C156 C80 C347 126(6) . . ?
C347 C80 C74 105(5) . . ?
C75 C156 H156 112.7 . . ?
C79 C156 C75 105(6) . . ?
C79 C156 C80 112(5) . . ?
C79 C156 H156 112.7 . . ?
C80 C156 C75 101(5) . . ?
C80 C156 H156 112.7 . . ?
C80 C347 H34F 112.7 . . ?
C80 C347 H34G 105.7 . . ?
C80 C347 H34H 110.0 . . ?
H34F C347 H34G 109.4 . . ?
H34F C347 H34H 109.3 . . ?
H34G C347 H34H 109.6 . . ?
Cl54 C193 Cl42 107(4) . . ?
Cl54 C193 H19F 110.4 . . ?
Cl54 C193 H19G 110.4 . . ?
Cl42 C193 H19F 110.4 . . ?
Cl42 C193 H19G 110.4 . . ?
H19F C193 H19G 108.6 . . ?
S00M C49 H49 105.7 . . ?
C52 C49 S00M 119(2) . . ?
C52 C49 H49 105.7 . . ?
C52 C49 C51 102(3) . . ?
C51 C49 S00M 117(3) . . ?
C51 C49 H49 105.7 . . ?
C49 C52 C105 107.1(11) . . ?
C53 C52 C49 103(2) . . ?
C53 C52 C105 104(2) . . ?
C61 C52 C49 109.1(12) . . ?
C61 C52 C53 125(2) . . ?
C61 C52 C105 107.9(12) . . ?
C49 C51 H51A 110.9 . . ?
C49 C51 H51B 110.9 . . ?
H51A C51 H51B 108.9 . . ?
C87 C51 C49 104(3) . . ?
C87 C51 H51A 110.9 . . ?
C87 C51 H51B 110.9 . . ?
C52 C53 C54 118(5) . . ?
C52 C53 C87 92.9(10) . . ?
C52 C53 C98 106(4) . . ?
C54 C53 C87 111(5) . . ?
C98 C53 C54 110(5) . . ?
C98 C53 C87 118(5) . . ?
C52 C61 H61A 109.5 . . ?
C52 C61 H61B 109.5 . . ?
C52 C61 H61C 109.5 . . ?
H61A C61 H61B 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
C53 C54 H54A 109.5 . . ?
C53 C54 H54B 109.5 . . ?
C53 C54 H54C 109.5 . . ?
H54A C54 H54B 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
C51 C87 C53 101(3) . . ?
C51 C87 H87 114.4 . . ?
C51 C87 C56 107.0(12) . . ?
C53 C87 H87 114.4 . . ?
C53 C87 C56 104(2) . . ?
C56 C87 H87 114.4 . . ?
C87 C56 H56A 111.4 . . ?
C87 C56 H56B 111.4 . . ?
C87 C56 C105 101.8(8) . . ?
H56A C56 H56B 109.3 . . ?
C105 C56 H56A 111.4 . . ?
C105 C56 H56B 111.4 . . ?
C53 C98 H98A 109.5 . . ?
C53 C98 H98B 109.5 . . ?
C53 C98 H98C 109.5 . . ?
H98A C98 H98B 109.5 . . ?
H98A C98 H98C 109.5 . . ?
H98B C98 H98C 109.5 . . ?
C52 C105 C56 101.9(8) . . ?
C52 C105 H10H 111.4 . . ?
C52 C105 H10I 111.4 . . ?
C56 C105 H10H 111.4 . . ?
C56 C105 H10I 111.4 . . ?
H10H C105 H10I 109.3 . . ?

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 P00T C62 P00R -37(3) . . . . ?
Au02 P00T C57 C199 -177(2) . . . . ?
Au02 P00T C57 C88 6(3) . . . . ?
Au02 P00T C30 C188 -92(3) . . . . ?
Au02 P00T C30 C60 89(3) . . . . ?
Au03 S00Q C73 C75 -131(5) . . . . ?
Au03 S00Q C73 C74 111(5) . . . . ?
Au03 S00X C110 C28 -175(3) . . . . ?
Au03 S00X C110 C116 -62(4) . . . . ?
Au05 S00K C59 C83 160.7(19) . . . . ?
Au05 S00K C59 C212 -76(3) . . . . ?
Au06 S00L C33 C34 -156(4) . . . . ?
Au06 S00L C33 C38 71(6) . . . . ?
Au06 S00M C49 C52 95(3) . . . . ?
Au06 S00M C49 C51 -29(3) . . . . ?
Au07 S00M C49 C52 -165(2) . . . . ?
Au07 S00M C49 C51 72(3) . . . . ?
Au08 P00R C62 P00T 60(3) . . . . ?
Au08 P00R C121 C170 -140(2) . . . . ?
Au08 P00R C121 C201 38(3) . . . . ?
Au08 P00R C50 C141 -148(2) . . . . ?
Au08 P00R C50 C65 32(3) . . . . ?
Au09 S00U C19 C146 -56(5) . . . . ?
Au09 S00U C19 C22 168(3) . . . . ?
Au0A S00L C33 C34 -56(6) . . . . ?
Au0A S00L C33 C38 172(5) . . . . ?
Au0A S00Q C73 C75 -38(5) . . . . ?
Au0A S00Q C73 C74 -156(4) . . . . ?
Au0B S00W C132 C37 -176(2) . . . . ?
Au0B S00W C132 C100 -52(2) . . . . ?
Au0C S00K C59 C83 78(2) . . . . ?
Au0C S00K C59 C212 -159(2) . . . . ?
Au0C S00N C6 C8 90(2) . . . . ?
Au0C S00N C6 C7 -152.8(18) . . . . ?
Au0D S00P C220 C12 -145(5) . . . . ?
Au0D S00P C220 C137 94(5) . . . . ?
Au0D S00V C13 C251 -54(5) . . . . ?
Au0D S00V C13 C15 177(5) . . . . ?
Au0E S00N C6 C8 -170.5(16) . . . . ?
Au0E S00N C6 C7 -54(2) . . . . ?
Au0F S00O C69 C183 89(4) . . . . ?
Au0F S00O C69 C106 -149(5) . . . . ?
Au0F S00P C220 C12 -36(6) . . . . ?
Au0F S00P C220 C137 -157(4) . . . . ?
Au0G S00O C69 C183 -157(3) . . . . ?
Au0G S00O C69 C106 -35(5) . . . . ?
Au0G S00X C110 C28 85(4) . . . . ?
Au0G S00X C110 C116 -162(4) . . . . ?
Au0H S00V C13 C251 -154(4) . . . . ?
Au0H S00V C13 C15 77(6) . . . . ?
Au0I S00W C132 C37 75(3) . . . . ?
Au0I S00W C132 C100 -159.9(19) . . . . ?
Au0I S00Y C20 C147 93(2) . . . . ?
Au0I S00Y C20 C25 -148(2) . . . . ?
Au0J S00U C19 C146 -155(4) . . . . ?
Au0J S00U C19 C22 69(4) . . . . ?
Au0J S00Y C20 C147 -155(2) . . . . ?
Au0J S00Y C20 C25 -35(2) . . . . ?
S00K C59 C83 C123 -162(3) . . . . ?
S00K C59 C83 C5 -25(4) . . . . ?
S00K C59 C83 C181 95(3) . . . . ?
S00K C59 C212 C71 -128(3) . . . . ?
S00L C33 C38 C36 95(5) . . . . ?
S00L C33 C38 C35 -156(5) . . . . ?
S00L C33 C38 C149 -30(7) . . . . ?
S00M C49 C52 C53 -166(3) . . . . ?
S00M C49 C52 C61 60(3) . . . . ?
S00M C49 C52 C105 -57(3) . . . . ?
S00M C49 C51 C87 131(3) . . . . ?
S00O C69 C183 C55 -29(6) . . . . ?
S00O C69 C183 C76 97(4) . . . . ?
S00O C69 C183 C158 -154(4) . . . . ?
S00O C69 C106 C67 -133(5) . . . . ?
S00P C220 C12 C162 -136(5) . . . . ?
S00P C220 C137 C108 90(5) . . . . ?
S00P C220 C137 C14 -158(4) . . . . ?
S00P C220 C137 C195 -42(5) . . . . ?
S00Q C73 C75 C156 -132(5) . . . . ?
S00Q C73 C74 C77 -40(7) . . . . ?
S00Q C73 C74 C78 -168(5) . . . . ?
S00Q C73 C74 C80 95(5) . . . . ?
P00R C50 C65 C66 179(3) . . . . ?
S00S C42 C45 C46 -158(4) . . . . ?
S00S C42 C45 C48 -24(4) . . . . ?
S00S C42 C45 C47 99(4) . . . . ?
S00S C42 C94 C43 -136(4) . . . . ?
P00T C57 C88 C70 177(4) . . . . ?
P00T C30 C60 C127 179(4) . . . . ?
S00U C19 C146 C101 -143(4) . . . . ?
S00U C19 C22 C41 -144(4) . . . . ?
S00U C19 C22 C203 104(4) . . . . ?
S00U C19 C22 C325 -27(5) . . . . ?
S00V C13 C251 C17 -134(5) . . . . ?
S00V C13 C15 C18 -31(8) . . . . ?
S00V C13 C15 C95 96(5) . . . . ?
S00V C13 C15 C130 -149(5) . . . . ?
S00W C132 C37 C39 -153(3) . . . . ?
S00W C132 C37 C40 96(3) . . . . ?
S00W C132 C37 C312 -37(4) . . . . ?
S00W C132 C100 C120 -143(3) . . . . ?
S00X C110 C116 C187 -135(4) . . . . ?
S00Y C20 C147 C82 92(3) . . . . ?
S00Y C20 C147 C24 -160(3) . . . . ?
S00Y C20 C147 C150 -33(4) . . . . ?
S00Y C20 C25 C21 -126(3) . . . . ?
C62 P00R C121 C170 106(3) . . . . ?
C62 P00R C121 C201 -77(3) . . . . ?
C62 P00R C50 C141 -24(3) . . . . ?
C62 P00R C50 C65 157(2) . . . . ?
C62 P00T C57 C199 58(3) . . . . ?
C62 P00T C57 C88 -119(3) . . . . ?
C62 P00T C30 C188 34(3) . . . . ?
C62 P00T C30 C60 -145(3) . . . . ?
C67 C76 C183 C55 -176(5) . . . . ?
C67 C76 C183 C69 53(4) . . . . ?
C67 C76 C183 C158 -60(4) . . . . ?
C67 C151 C158 C183 -5(6) . . . . ?
C76 C67 C151 C158 -33(6) . . . . ?
C76 C67 C106 C69 39(6) . . . . ?
C119 C76 C183 C55 69(6) . . . . ?
C119 C76 C183 C69 -61(5) . . . . ?
C119 C76 C183 C158 -174(5) . . . . ?
C151 C67 C76 C119 172(5) . . . . ?
C151 C67 C76 C235 -65(5) . . . . ?
C151 C67 C76 C183 56(4) . . . . ?
C151 C67 C106 C69 -69(6) . . . . ?
C151 C158 C183 C55 159(6) . . . . ?
C151 C158 C183 C69 -70(5) . . . . ?
C151 C158 C183 C76 41(5) . . . . ?
C235 C76 C183 C55 -62(7) . . . . ?
C235 C76 C183 C69 168(5) . . . . ?
C235 C76 C183 C158 55(5) . . . . ?
C183 C69 C106 C67 -4(6) . . . . ?
C170 C85 C129 C1 0.0 . . . . ?
C85 C170 C121 P00R 178(4) . . . . ?
C85 C170 C121 C201 0.0 . . . . ?
C85 C129 C1 C201 0.0 . . . . ?
C129 C1 C201 C121 0.0 . . . . ?
C1 C201 C121 P00R -178(4) . . . . ?
C1 C201 C121 C170 0.0 . . . . ?
C121 P00R C62 P00T 179(3) . . . . ?
C121 P00R C50 C141 81(3) . . . . ?
C121 P00R C50 C65 -98(3) . . . . ?
C121 C170 C85 C129 0.0 . . . . ?
C276 C199 C57 P00T -177(4) . . . . ?
C276 C199 C57 C88 0.0 . . . . ?
C199 C276 C2 C70 0.0 . . . . ?
C199 C57 C88 C70 0.0 . . . . ?
C57 P00T C62 P00R 92(3) . . . . ?
C57 P00T C30 C188 140(3) . . . . ?
C57 P00T C30 C60 -39(3) . . . . ?
C57 C88 C70 C2 0.0 . . . . ?
C88 C70 C2 C276 0.0 . . . . ?
C2 C276 C199 C57 0.0 . . . . ?
C3 C141 C50 P00R -179(4) . . . . ?
C3 C141 C50 C65 0.0 . . . . ?
C141 C3 C99 C66 0.0 . . . . ?
C141 C50 C65 C66 0.0 . . . . ?
C50 P00R C62 P00T -72(3) . . . . ?
C50 P00R C121 C170 -5(3) . . . . ?
C50 P00R C121 C201 172(3) . . . . ?
C50 C65 C66 C99 0.0 . . . . ?
C65 C66 C99 C3 0.0 . . . . ?
C99 C3 C141 C50 0.0 . . . . ?
C167 C188 C30 P00T -179(4) . . . . ?
C167 C188 C30 C60 0.0 . . . . ?
C188 C167 C4 C127 0.0 . . . . ?
C188 C30 C60 C127 0.0 . . . . ?
C30 P00T C62 P00R -165(3) . . . . ?
C30 P00T C57 C199 -50(3) . . . . ?
C30 P00T C57 C88 133(3) . . . . ?
C30 C60 C127 C4 0.0 . . . . ?
C60 C127 C4 C167 0.0 . . . . ?
C4 C167 C188 C30 0.0 . . . . ?
C59 C83 C123 C166 -71(4) . . . . ?
C59 C83 C181 C71 52(2) . . . . ?
C59 C83 C181 C111 -62(2) . . . . ?
C59 C83 C181 C211 167(2) . . . . ?
C83 C59 C212 C71 0(5) . . . . ?
C83 C123 C166 C71 0(5) . . . . ?
C123 C83 C181 C71 -52(2) . . . . ?
C123 C83 C181 C111 -166(2) . . . . ?
C123 C83 C181 C211 63(2) . . . . ?
C5 C83 C123 C166 147(4) . . . . ?
C5 C83 C181 C71 -175(4) . . . . ?
C5 C83 C181 C111 71(5) . . . . ?
C5 C83 C181 C211 -60(5) . . . . ?
C166 C71 C181 C83 52(2) . . . . ?
C166 C71 C181 C111 167(2) . . . . ?
C166 C71 C181 C211 -63(2) . . . . ?
C166 C71 C212 C59 -71(4) . . . . ?
C181 C71 C166 C123 -33(4) . . . . ?
C181 C71 C212 C59 32(4) . . . . ?
C181 C83 C123 C166 33(4) . . . . ?
C212 C59 C83 C123 71(4) . . . . ?
C212 C59 C83 C5 -153(4) . . . . ?
C212 C59 C83 C181 -33(4) . . . . ?
C212 C71 C166 C123 70(4) . . . . ?
C212 C71 C181 C83 -52(2) . . . . ?
C212 C71 C181 C111 63(2) . . . . ?
C212 C71 C181 C211 -167(2) . . . . ?
C58 C8 C6 S00N 86(3) . . . . ?
C58 C8 C6 C7 -35(3) . . . . ?
C58 C8 C86 C89 44(3) . . . . ?
C58 C104 C89 C86 -36(3) . . . . ?
C8 C58 C104 C7 -60.1(19) . . . . ?
C8 C58 C104 C89 56.1(19) . . . . ?
C8 C86 C89 C104 -4(3) . . . . ?
C7 C104 C89 C86 80(3) . . . . ?
C68 C8 C6 S00N -44(4) . . . . ?
C68 C8 C6 C7 -166(4) . . . . ?
C68 C8 C86 C89 171(4) . . . . ?
C6 C8 C86 C89 -72(3) . . . . ?
C6 C7 C104 C58 44(3) . . . . ?
C6 C7 C104 C89 -72(3) . . . . ?
C104 C58 C8 C68 -180(4) . . . . ?
C104 C58 C8 C6 55.5(19) . . . . ?
C104 C58 C8 C86 -60.2(19) . . . . ?
C104 C7 C6 S00N -131(2) . . . . ?
C104 C7 C6 C8 -4(3) . . . . ?
C10 C58 C8 C68 66(5) . . . . ?
C10 C58 C8 C6 -58(4) . . . . ?
C10 C58 C8 C86 -174(4) . . . . ?
C10 C58 C104 C7 58(4) . . . . ?
C10 C58 C104 C89 174(4) . . . . ?
C86 C8 C6 S00N -158(3) . . . . ?
C86 C8 C6 C7 80(3) . . . . ?
C9 C58 C8 C68 -73(4) . . . . ?
C9 C58 C8 C6 162(2) . . . . ?
C9 C58 C8 C86 47(2) . . . . ?
C9 C58 C104 C7 -167(2) . . . . ?
C9 C58 C104 C89 -51(2) . . . . ?
C13 C251 C17 C95 35(4) . . . . ?
C13 C251 C17 C351 -66(6) . . . . ?
C251 C13 C15 C18 -163(6) . . . . ?
C251 C13 C15 C95 -36(6) . . . . ?
C251 C13 C15 C130 79(6) . . . . ?
C251 C17 C351 C130 69(7) . . . . ?
C220 C12 C162 C93 -75(6) . . . . ?
C220 C12 C162 C108 46(6) . . . . ?
C220 C137 C14 C93 -75(6) . . . . ?
C12 C220 C137 C108 -39(5) . . . . ?
C12 C220 C137 C14 73(5) . . . . ?
C12 C220 C137 C195 -170(5) . . . . ?
C90 C108 C137 C220 -60(5) . . . . ?
C90 C108 C137 C14 -171(5) . . . . ?
C90 C108 C137 C195 61(6) . . . . ?
C90 C108 C162 C12 61(6) . . . . ?
C90 C108 C162 C93 -179(6) . . . . ?
C108 C137 C14 C93 31(7) . . . . ?
C137 C220 C12 C162 -5(6) . . . . ?
C137 C108 C162 C12 -67(4) . . . . ?
C137 C108 C162 C93 53(6) . . . . ?
C162 C93 C14 C137 2(7) . . . . ?
C162 C108 C137 C220 65(3) . . . . ?
C162 C108 C137 C14 -46(3) . . . . ?
C162 C108 C137 C195 -174(3) . . . . ?
C14 C93 C162 C12 74(7) . . . . ?
C14 C93 C162 C108 -37(7) . . . . ?
C11 C108 C137 C220 179(4) . . . . ?
C11 C108 C137 C14 68(5) . . . . ?
C11 C108 C137 C195 -60(5) . . . . ?
C11 C108 C162 C12 -166(5) . . . . ?
C11 C108 C162 C93 -46(7) . . . . ?
C195 C137 C14 C93 168(5) . . . . ?
C16 C95 C17 C251 65(5) . . . . ?
C16 C95 C17 C351 176(5) . . . . ?
C16 C95 C15 C13 -59(4) . . . . ?
C16 C95 C15 C18 61(3) . . . . ?
C16 C95 C15 C130 -174(5) . . . . ?
C95 C17 C351 C130 -42(7) . . . . ?
C124 C95 C17 C251 -177(5) . . . . ?
C124 C95 C17 C351 -66(5) . . . . ?
C124 C95 C15 C13 164(3) . . . . ?
C124 C95 C15 C18 -75(3) . . . . ?
C124 C95 C15 C130 50(6) . . . . ?
C17 C95 C15 C13 52(4) . . . . ?
C17 C95 C15 C18 172(3) . . . . ?
C17 C95 C15 C130 -62(5) . . . . ?
C15 C13 C251 C17 1(6) . . . . ?
C15 C95 C17 C251 -55(4) . . . . ?
C15 C95 C17 C351 55(3) . . . . ?
C15 C130 C351 C17 5(7) . . . . ?
C351 C130 C15 C13 -75(7) . . . . ?
C351 C130 C15 C18 167(6) . . . . ?
C351 C130 C15 C95 35(6) . . . . ?
C19 C146 C101 C247 -75(5) . . . . ?
C19 C146 C101 C203 40(4) . . . . ?
C19 C22 C41 C247 -67(3) . . . . ?
C19 C22 C203 C101 57(2) . . . . ?
C19 C22 C203 C126 -59(4) . . . . ?
C19 C22 C203 C254 175(4) . . . . ?
C146 C19 C22 C41 77(4) . . . . ?
C146 C19 C22 C203 -36(4) . . . . ?
C146 C19 C22 C325 -166(4) . . . . ?
C146 C101 C247 C41 80(3) . . . . ?
C146 C101 C203 C22 -63(3) . . . . ?
C146 C101 C203 C126 53(4) . . . . ?
C146 C101 C203 C254 179(4) . . . . ?
C22 C19 C146 C101 -2(5) . . . . ?
C22 C41 C247 C101 -4(4) . . . . ?
C20 C147 C24 C23 -71(3) . . . . ?
C82 C21 C23 C24 -32(3) . . . . ?
C82 C21 C25 C20 34(3) . . . . ?
C82 C147 C24 C23 37(3) . . . . ?
C21 C82 C147 C20 53.9(13) . . . . ?
C21 C82 C147 C24 -55.4(15) . . . . ?
C21 C82 C147 C150 179.1(16) . . . . ?
C21 C23 C24 C147 -1(3) . . . . ?
C23 C21 C25 C20 -67(3) . . . . ?
C147 C20 C25 C21 -1(3) . . . . ?
C147 C82 C21 C23 51.6(17) . . . . ?
C147 C82 C21 C25 -52.7(15) . . . . ?
C25 C20 C147 C82 -34(3) . . . . ?
C25 C20 C147 C24 74(3) . . . . ?
C25 C20 C147 C150 -159(3) . . . . ?
C25 C21 C23 C24 70(3) . . . . ?
C27 C82 C21 C23 167(2) . . . . ?
C27 C82 C21 C25 62.7(19) . . . . ?
C27 C82 C147 C20 -58.1(18) . . . . ?
C27 C82 C147 C24 -167.4(19) . . . . ?
C27 C82 C147 C150 67.1(19) . . . . ?
C26 C82 C21 C23 -64(2) . . . . ?
C26 C82 C21 C25 -167.9(19) . . . . ?
C26 C82 C147 C20 165.7(18) . . . . ?
C26 C82 C147 C24 56(2) . . . . ?
C26 C82 C147 C150 -69(2) . . . . ?
C150 C147 C24 C23 162(3) . . . . ?
C29 C28 C32 C128 157(4) . . . . ?
C29 C28 C110 S00X -32(6) . . . . ?
C29 C28 C110 C116 -152(5) . . . . ?
C29 C28 C31 C187 -177(4) . . . . ?
C29 C28 C31 C72 -69(5) . . . . ?
C29 C28 C31 C353 55(5) . . . . ?
C28 C32 C128 C187 -1(5) . . . . ?
C28 C110 C116 C187 -10(6) . . . . ?
C28 C31 C187 C116 -63(4) . . . . ?
C28 C31 C187 C128 55(4) . . . . ?
C32 C28 C110 S00X -156(3) . . . . ?
C32 C28 C110 C116 84(5) . . . . ?
C32 C28 C31 C187 -56(3) . . . . ?
C32 C28 C31 C72 52(3) . . . . ?
C32 C28 C31 C353 176(4) . . . . ?
C32 C128 C187 C116 73(5) . . . . ?
C32 C128 C187 C31 -37(6) . . . . ?
C110 C28 C32 C128 -75(4) . . . . ?
C110 C28 C31 C187 59(2) . . . . ?
C110 C28 C31 C72 167(3) . . . . ?
C110 C28 C31 C353 -69(4) . . . . ?
C110 C116 C187 C128 -65(6) . . . . ?
C110 C116 C187 C31 50(5) . . . . ?
C31 C28 C32 C128 39(4) . . . . ?
C31 C28 C110 S00X 88(4) . . . . ?
C31 C28 C110 C116 -32(4) . . . . ?
C72 C31 C187 C116 -172(4) . . . . ?
C72 C31 C187 C128 -54(5) . . . . ?
C353 C31 C187 C116 59(5) . . . . ?
C353 C31 C187 C128 177(5) . . . . ?
C34 C33 C38 C36 -42(6) . . . . ?
C34 C33 C38 C35 67(6) . . . . ?
C34 C33 C38 C149 -167(4) . . . . ?
C34 C113 C191 C35 63(3) . . . . ?
C33 C34 C113 C36 28(5) . . . . ?
C33 C34 C113 C191 -77(5) . . . . ?
C36 C113 C191 C35 -40(3) . . . . ?
C113 C34 C33 S00L -134(4) . . . . ?
C113 C34 C33 C38 8(7) . . . . ?
C113 C36 C38 C33 58(3) . . . . ?
C113 C36 C38 C35 -49(3) . . . . ?
C113 C36 C38 C149 -175.7(17) . . . . ?
C125 C36 C113 C34 178(3) . . . . ?
C125 C36 C113 C191 -76(3) . . . . ?
C125 C36 C38 C33 171(4) . . . . ?
C125 C36 C38 C35 64(3) . . . . ?
C125 C36 C38 C149 -62(2) . . . . ?
C38 C36 C113 C34 -51.0(15) . . . . ?
C38 C36 C113 C191 54.6(14) . . . . ?
C38 C35 C191 C113 10(5) . . . . ?
C340 C36 C113 C34 61(2) . . . . ?
C340 C36 C113 C191 166.3(19) . . . . ?
C340 C36 C38 C33 -51(4) . . . . ?
C340 C36 C38 C35 -158(3) . . . . ?
C340 C36 C38 C149 75(2) . . . . ?
C191 C35 C38 C33 -81(4) . . . . ?
C191 C35 C38 C36 26(4) . . . . ?
C191 C35 C38 C149 153(3) . . . . ?
C132 C37 C39 C136 -66(2) . . . . ?
C132 C37 C40 C120 52.2(14) . . . . ?
C132 C37 C40 C230 165(4) . . . . ?
C132 C37 C40 C298 -61(4) . . . . ?
C132 C100 C120 C40 45(2) . . . . ?
C132 C100 C120 C136 -67(3) . . . . ?
C37 C132 C100 C120 -8(3) . . . . ?
C37 C39 C136 C120 -8(3) . . . . ?
C100 C132 C37 C39 81(3) . . . . ?
C100 C132 C37 C40 -30(3) . . . . ?
C100 C132 C37 C312 -163(3) . . . . ?
C100 C120 C40 C37 -60.5(13) . . . . ?
C100 C120 C40 C230 -173(4) . . . . ?
C100 C120 C40 C298 53(4) . . . . ?
C100 C120 C136 C39 82(2) . . . . ?
C39 C37 C40 C120 -59.4(16) . . . . ?
C39 C37 C40 C230 54(4) . . . . ?
C39 C37 C40 C298 -173(4) . . . . ?
C40 C37 C39 C136 44(3) . . . . ?
C40 C120 C136 C39 -30(3) . . . . ?
C136 C120 C40 C37 52.2(17) . . . . ?
C136 C120 C40 C230 -60(4) . . . . ?
C136 C120 C40 C298 165(4) . . . . ?
C312 C37 C39 C136 179(3) . . . . ?
C312 C37 C40 C120 175.4(16) . . . . ?
C312 C37 C40 C230 -72(4) . . . . ?
C312 C37 C40 C298 62(4) . . . . ?
C41 C22 C203 C101 -56(2) . . . . ?
C41 C22 C203 C126 -171(4) . . . . ?
C41 C22 C203 C254 63(4) . . . . ?
C247 C101 C203 C22 52(4) . . . . ?
C247 C101 C203 C126 168(4) . . . . ?
C247 C101 C203 C254 -67(4) . . . . ?
C203 C22 C41 C247 38(3) . . . . ?
C203 C101 C247 C41 -31(4) . . . . ?
C325 C22 C41 C247 176(3) . . . . ?
C325 C22 C203 C101 175.5(15) . . . . ?
C325 C22 C203 C126 60(4) . . . . ?
C325 C22 C203 C254 -66(4) . . . . ?
C63 C47 C43 C94 56(4) . . . . ?
C63 C47 C43 C44 171(4) . . . . ?
C46 C45 C47 C63 -170(5) . . . . ?
C46 C45 C47 C43 -57.2(14) . . . . ?
C46 C45 C47 C179 47(5) . . . . ?
C42 C45 C47 C63 -55(5) . . . . ?
C42 C45 C47 C43 56.8(15) . . . . ?
C42 C45 C47 C179 161(5) . . . . ?
C42 C94 C43 C47 36(3) . . . . ?
C42 C94 C43 C44 -79(3) . . . . ?
C48 C45 C47 C63 68(5) . . . . ?
C48 C45 C47 C43 179.9(13) . . . . ?
C48 C45 C47 C179 -76(5) . . . . ?
C45 C46 C44 C43 -11(3) . . . . ?
C45 C42 C94 C43 2(4) . . . . ?
C45 C47 C43 C94 -60(2) . . . . ?
C45 C47 C43 C44 55.3(19) . . . . ?
C47 C43 C44 C46 -28(3) . . . . ?
C94 C42 C45 C46 63(3) . . . . ?
C94 C42 C45 C48 -162(3) . . . . ?
C94 C42 C45 C47 -40(3) . . . . ?
C94 C43 C44 C46 85(2) . . . . ?
C44 C46 C45 C42 -57(3) . . . . ?
C44 C46 C45 C48 168(2) . . . . ?
C44 C46 C45 C47 46(2) . . . . ?
C179 C47 C43 C94 170(4) . . . . ?
C179 C47 C43 C44 -75(4) . . . . ?
C73 C75 C156 C79 -78(6) . . . . ?
C73 C75 C156 C80 39(6) . . . . ?
C73 C74 C78 C79 -64(8) . . . . ?
C73 C74 C80 C117 -57(6) . . . . ?
C73 C74 C80 C156 53(4) . . . . ?
C73 C74 C80 C347 -178(5) . . . . ?
C106 C67 C76 C119 61(5) . . . . ?
C106 C67 C76 C235 -176(5) . . . . ?
C106 C67 C76 C183 -55(5) . . . . ?
C106 C67 C151 C158 75(6) . . . . ?
C106 C69 C183 C55 -158(6) . . . . ?
C106 C69 C183 C76 -32(5) . . . . ?
C106 C69 C183 C158 76(6) . . . . ?
C75 C73 C74 C77 -165(5) . . . . ?
C75 C73 C74 C78 66(6) . . . . ?
C75 C73 C74 C80 -30(5) . . . . ?
C77 C74 C78 C79 177(7) . . . . ?
C77 C74 C80 C117 67(8) . . . . ?
C77 C74 C80 C156 177(6) . . . . ?
C77 C74 C80 C347 -54(7) . . . . ?
C74 C73 C75 C156 -5(6) . . . . ?
C74 C78 C79 C156 -10(8) . . . . ?
C74 C80 C156 C75 -54(5) . . . . ?
C74 C80 C156 C79 58(6) . . . . ?
C78 C74 C80 C117 -162(5) . . . . ?
C78 C74 C80 C156 -52(5) . . . . ?
C78 C74 C80 C347 77(6) . . . . ?
C78 C79 C156 C75 79(6) . . . . ?
C78 C79 C156 C80 -30(7) . . . . ?
C117 C80 C156 C75 67(6) . . . . ?
C117 C80 C156 C79 179(6) . . . . ?
C80 C74 C78 C79 43(7) . . . . ?
C347 C80 C156 C75 -165(6) . . . . ?
C347 C80 C156 C79 -53(8) . . . . ?
C49 C52 C53 C54 172(5) . . . . ?
C49 C52 C53 C87 56(3) . . . . ?
C49 C52 C53 C98 -64(4) . . . . ?
C49 C52 C105 C56 -73(4) . . . . ?
C49 C51 C87 C53 36(4) . . . . ?
C49 C51 C87 C56 -72(3) . . . . ?
C52 C49 C51 C87 -1(4) . . . . ?
C52 C53 C87 C51 -55(3) . . . . ?
C52 C53 C87 C56 55(3) . . . . ?
C51 C49 C52 C53 -35(3) . . . . ?
C51 C49 C52 C61 -169(3) . . . . ?
C51 C49 C52 C105 74(3) . . . . ?
C51 C87 C56 C105 72(4) . . . . ?
C53 C52 C105 C56 36(4) . . . . ?
C53 C87 C56 C105 -35(4) . . . . ?
C61 C52 C53 C54 -63(5) . . . . ?
C61 C52 C53 C87 -179(2) . . . . ?
C61 C52 C53 C98 60(5) . . . . ?
C61 C52 C105 C56 170(4) . . . . ?
C54 C53 C87 C51 -177(5) . . . . ?
C54 C53 C87 C56 -66(5) . . . . ?
C87 C56 C105 C52 0(4) . . . . ?
C98 C53 C87 C51 54(4) . . . . ?
C98 C53 C87 C56 165(4) . . . . ?
C105 C52 C53 C54 61(5) . . . . ?
C105 C52 C53 C87 -56(3) . . . . ?
C105 C52 C53 C98 -176(4) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
# R-Au19 RESULTS (APPEND TO CIF)
_vrf_PLAT342_R-Au19              
;
PROBLEM: ALERT: Low Bond Precision on  C-C Bonds
RESPONSE: Caused by the large number of C-C bonds in the structure.
;
####################################################################### 
# 
# 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_S-Au19
_database_code_depnum_ccdc_archive 'CCDC 2381011'
loop_
_audit_author_name
_audit_author_address
'Tan Yesen'
;An Hui University
China
;
_audit_update_record             
;
2024-12-26 deposited with the CCDC.	2025-02-07 downloaded from the CCDC.
;
_audit_creation_date             2024-12-25
_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         'C155 H243 Au19 P2 S13, 0.5(C H2 Cl2)'
_chemical_formula_sum            'C155.50 H244 Au19 Cl P2 S13'
_chemical_formula_weight         6370.03
_chemical_absolute_configuration rm
_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'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'

_cell_length_a                   19.2020(3)
_cell_length_b                   22.8560(4)
_cell_length_c                   43.0315(7)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     18885.7(5)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    41348
_cell_measurement_temperature    120.15
_cell_measurement_theta_max      75.1230
_cell_measurement_theta_min      2.0420
_shelx_estimated_absorpt_T_max   0.639
_shelx_estimated_absorpt_T_min   0.049
_exptl_absorpt_coefficient_mu    28.886
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.09774
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.42.93a (Rigaku Oxford Diffraction, 2023)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    2.240
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             11732
_exptl_crystal_size_max          0.265
_exptl_crystal_size_mid          0.088
_exptl_crystal_size_min          0.017
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1054
_diffrn_reflns_av_unetI/netI     0.0803
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.973
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       54
_diffrn_reflns_limit_l_min       -45
_diffrn_reflns_number            120403
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.973
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         78.408
_diffrn_reflns_theta_min         2.189
_diffrn_ambient_temperature      120.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.973
_diffrn_measurement_device_type  'XtaLAB Synergy R, HyPix'
_diffrn_measurement_method       ?
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   ?
_reflns_Friedel_coverage         0.870
_reflns_Friedel_fraction_full    1.000
_reflns_Friedel_fraction_max     0.972
_reflns_number_gt                26504
_reflns_number_total             38612
_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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2017/1 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         3.156
_refine_diff_density_min         -2.349
_refine_diff_density_rms         0.231
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.11(2)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.091
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1736
_refine_ls_number_reflns         38612
_refine_ls_number_restraints     2105
_refine_ls_R_factor_all          0.0961
_refine_ls_R_factor_gt           0.0688
_refine_ls_restrained_S_all      1.093
_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)+(0.1067P)²+25.0124P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1844
_refine_ls_wR_factor_ref         0.2012
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.88733
 0.11267
2. Restrained distances
 C6-C32 = C7-C6 = C7-C2 = C4-C2 = C4-C19 = C4-C28 = C5-C28 = C42-C19 = C6-C19 =
  C6-C5
 1.54 with sigma of 0.01
 C58-C19
 1.54 with sigma of 0.01
 C42-C4
 2.5 with sigma of 0.01
 C42-C6
 2.5 with sigma of 0.01
 C78-C33 = C8-C33 = C8-C67 = C67-C50 = C62-C55 = C62-C50 = C62-C33 = C50-C102 =
  C35-C102 = C35-C33
 1.54 with sigma of 0.01
 C94-C62
 1.54 with sigma of 0.01
 C33-C102
 2.5 with sigma of 0.01
 C50-C35
 2.5 with sigma of 0.01
 C94-C50
 2.5 with sigma of 0.01
 C94-C33
 2.5 with sigma of 0.01
 C55-C50
 2.5 with sigma of 0.01
 C55-C33
 2.5 with sigma of 0.01
 C8-C50
 2.5 with sigma of 0.01
 C67-C33
 2.5 with sigma of 0.01
 C31-C20 = C31-C10 = C20-C13 = C14-C13 = C22-C13 = C22-C18 = C18-C10 = C12-C10
 = C14-C10 = C14-C105 = C43-C14
 1.54 with sigma of 0.01
 C105-C13
 2.5 with sigma of 0.01
 C105-C10
 2.5 with sigma of 0.01
 C43-C13
 2.5 with sigma of 0.01
 C43-C10
 2.5 with sigma of 0.01
 C105-C43
 2.5 with sigma of 0.01
 C65-C202
 1.54 with sigma of 0.01
 C81-C65 = C163-C117 = C172-C117 = C202-C117 = C144-C117 = C81-C144 = C158-
 C144 = C144-C123 = C123-C119 = C202-C119
 1.54 with sigma of 0.01
 C33-C50
 2.2 with sigma of 0.01
 C163-C202
 2.5 with sigma of 0.01
 C163-C144
 2.5 with sigma of 0.01
 C172-C202
 2.5 with sigma of 0.01
 C172-C144
 2.5 with sigma of 0.01
 C25-C23 = C24-C23 = C27-C24 = C27-C125 = C66-C125 = C125-C101 = C27-C170 =
 C90-C170 = C90-C25 = C25-C125 = C30-C25
 1.54 with sigma of 0.01
 C66-C27
 2.5 with sigma of 0.01
 C66-C25
 2.5 with sigma of 0.01
 C101-C27
 2.5 with sigma of 0.01
 C101-C25
 2.5 with sigma of 0.01
 C170-C125
 2.5 with sigma of 0.01
 C27-C25
 2.2 with sigma of 0.01
 C27-C23
 2.5 with sigma of 0.01
 C24-C25
 2.5 with sigma of 0.01
 C25-C170
 2.5 with sigma of 0.01
 C27-C90
 2.5 with sigma of 0.01
 C101-C66
 2.5 with sigma of 0.01
 C123-C202
 2.5 with sigma of 0.01
 C119-C144
 2.5 with sigma of 0.01
 C81-C202
 2.5 with sigma of 0.01
 C65-C144
 2.5 with sigma of 0.01
 C117-C119
 2.5 with sigma of 0.01
 C202-C144
 2.2 with sigma of 0.01
 C163-C172
 2.5 with sigma of 0.01
 C64-C53 = C53-C49 = C52-C49 = C57-C52 = C56-C54 = C57-C54 = C54-C53 = C85-C54
 = C60-C57 = C61-C53 = C61-C60
 1.54 with sigma of 0.01
 C54-C49
 2.5 with sigma of 0.01
 C54-C52
 2.5 with sigma of 0.01
 C54-C61
 2.5 with sigma of 0.01
 C60-C54
 2.5 with sigma of 0.01
 C64-C49
 2.5 with sigma of 0.01
 C61-C64
 2.5 with sigma of 0.01
 C85-C57
 2.5 with sigma of 0.01
 C85-C53
 2.5 with sigma of 0.01
 C75-C70 = C70-C68 = C69-C68 = C71-C70 = C71-C295 = C71-C131 = C74-C71 = C74-
 C69 = C84-C74 = C84-C72 = C72-C70
 1.54 with sigma of 0.01
 C72-C68
 2.5 with sigma of 0.01
 C84-C69
 2.5 with sigma of 0.01
 C71-C72
 2.5 with sigma of 0.01
 C71-C84
 2.5 with sigma of 0.01
 C75-C68
 2.5 with sigma of 0.01
 C75-C72
 2.5 with sigma of 0.01
 C75-C71
 2.5 with sigma of 0.01
 C74-C70
 2.2 with sigma of 0.01
 C131-C74
 2.5 with sigma of 0.01
 C131-C70
 2.5 with sigma of 0.01
 C70-C69
 2.5 with sigma of 0.01
 C74-C68
 2.5 with sigma of 0.01
 C94-C55
 2.5 with sigma of 0.01
 C39-C121 = C83-C121 = C86-C121 = C76-C121 = C77-C76 = C79-C76 = C82-C76 = C88-
 C82 = C88-C86
 1.54 with sigma of 0.01
 C89-C39
 1.54 with sigma of 0.01
 C89-C82
 1.54 with sigma of 0.01
 C86-C39
 2.5 with sigma of 0.01
 C88-C89
 2.5 with sigma of 0.01
 C76-C88
 2.5 with sigma of 0.01
 C76-C86
 2.5 with sigma of 0.01
 C76-C89
 2.5 with sigma of 0.01
 C76-C39
 2.5 with sigma of 0.01
 C79-C121
 2.5 with sigma of 0.01
 C79-C82
 2.5 with sigma of 0.01
 C77-C121
 2.5 with sigma of 0.01
 C77-C82
 2.5 with sigma of 0.01
 C82-C121
 2.2 with sigma of 0.01
 C96-C92 = C92-C91 = C91-C120 = C95-C120 = C98-C95 = C98-C97 = C97-C92 = C95-
 C93 = C93-C92
 1.54 with sigma of 0.01
 C93-C103 = C99-C93
 1.54 with sigma of 0.01
 C99-C103
 2.5 with sigma of 0.01
 C97-C93
 2.5 with sigma of 0.01
 C95-C97
 2.5 with sigma of 0.01
 C98-C92
 2.5 with sigma of 0.01
 C120-C92
 2.5 with sigma of 0.01
 C95-C91
 2.5 with sigma of 0.01
 C95-C92
 2.2 with sigma of 0.01
 C103-C95
 2.5 with sigma of 0.01
 C103-C92
 2.5 with sigma of 0.01
 C99-C95
 2.5 with sigma of 0.01
 C99-C92
 2.5 with sigma of 0.01
 C96-C91
 2.5 with sigma of 0.01
 C96-C97
 2.5 with sigma of 0.01
 C90-C23
 2.5 with sigma of 0.01
 C170-C24
 2.5 with sigma of 0.01
 C57-C53
 2.2 with sigma of 0.01
 C108-C106 = C106-C104 = C107-C104 = C113-C106 = C114-C113 = C114-C111 = C111-
 C110 = C110-C106 = C112-C110 = C111-C107
 1.54 with sigma of 0.01
 C115-C110
 1.54 with sigma of 0.01
 C114-C110
 2.5 with sigma of 0.01
 C110-C113
 2.5 with sigma of 0.01
 C110-C104
 2.5 with sigma of 0.01
 C107-C110
 2.5 with sigma of 0.01
 C111-C106
 2.2 with sigma of 0.01
 C114-C107
 2.5 with sigma of 0.01
 C113-C104
 2.5 with sigma of 0.01
 C132-C124 = C124-C116 = C118-C116 = C128-C118 = C128-C126 = C129-C126 = C126-
 C124 = C133-C126 = C128-C127 = C132-C127 = C124-C122
 1.54 with sigma of 0.01
 S00W-C134
 1.8 with sigma of 0.01
 C136-C134 = C135-C134 = C143-C135 = C145-C143 = C146-C145 = C146-C136 = C139-
 C136 = C138-C136 = C141-C139 = C142-C139 = C143-C139
 1.54 with sigma of 0.01
 C135-C136
 2.5 with sigma of 0.01
 C146-C143
 2.5 with sigma of 0.01
 C136-C145
 2.5 with sigma of 0.01
 C136-C143
 2.2 with sigma of 0.01
 C139-C135
 2.5 with sigma of 0.01
 C139-C146
 2.5 with sigma of 0.01
 C145-C139
 2.5 with sigma of 0.01
 C142-C143
 2.5 with sigma of 0.01
 C142-C136
 2.5 with sigma of 0.01
 C141-C143
 2.5 with sigma of 0.01
 C141-C136
 2.5 with sigma of 0.01
 C129-C128
 2.5 with sigma of 0.01
 C129-C124
 2.5 with sigma of 0.01
 C63-C47 = C47-C37 = C40-C37 = C41-C40 = C40-C21 = C46-C40 = C63-C34 = C34-C21
 = C87-C46 = C46-C147
 1.54 with sigma of 0.01
 C37-C21
 2.5 with sigma of 0.01
 C47-C34
 2.5 with sigma of 0.01
 C37-C63
 2.5 with sigma of 0.01
 C47-C40
 2.5 with sigma of 0.01
 C63-C147
 2.5 with sigma of 0.01
 C147-C40
 2.5 with sigma of 0.01
 C119-C65
 2.5 with sigma of 0.01
 C81-C123
 2.5 with sigma of 0.01
 Cl5-C148 = Cl2-C148
 1.74 with sigma of 0.01
 C112-C106
 2.5 with sigma of 0.01
 C112-C111
 2.5 with sigma of 0.01
 C30-C23
 2.5 with sigma of 0.01
 C30-C90
 2.5 with sigma of 0.01
 C42-C58
 2.5 with sigma of 0.01
 C19-C5
 2.5 with sigma of 0.01
 C28-C19
 2.5 with sigma of 0.01
 C118-C126
 2.5 with sigma of 0.01
 C46-C47
 2.5 with sigma of 0.01
 C46-C37
 2.5 with sigma of 0.01
 C87-C147
 2.5 with sigma of 0.01
 C79-C77
 2.5 with sigma of 0.01
 C19-C7 \\sim C19-C5
 with sigma of 0.02
 C62-C8 \\sim C62-C35
 with sigma of 0.02
 C144-S00T \\sim C119-S00T
 with sigma of 0.02
 C121-S00P \\sim C89-S00P
 with sigma of 0.02
 C134-Au0F \\sim C134-Au02
 with sigma of 0.02
 C136-S00W \\sim C135-S00W
 with sigma of 0.02
 C21-Au07 \\sim C21-Au0C
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
C116 \\sim C118 \\sim C127 \\sim C132 \\sim C128 \\sim C126 \\sim C124 \\sim
C122 \\sim C133 \\sim C129: within 1.7A with sigma of 0.004 and sigma for
terminal atoms of 0.008 within 1.7A
C87 \\sim C46 \\sim C63 \\sim C34 \\sim C47 \\sim C21 \\sim C147 \\sim C40
\\sim C41 \\sim C37: within 1.7A with sigma of 0.004 and sigma for terminal
atoms of 0.008 within 1.7A
C72 \\sim C70 \\sim C68 \\sim C75 \\sim C295 \\sim C69 \\sim C74 \\sim C84
\\sim C71 \\sim C131: within 1.7A with sigma of 0.004 and sigma for terminal
atoms of 0.008 within 1.7A
Uanis(C1) \\sim Ueq, Uanis(C59) \\sim Ueq, Uanis(C36) \\sim Ueq, Uanis(C48)
\\sim Ueq, Uanis(C100) \\sim Ueq, Uanis(C16) \\sim Ueq, Uanis(C2) \\sim Ueq,
Uanis(C3) \\sim Ueq, Uanis(C38) \\sim Ueq, Uanis(C73) \\sim Ueq, Uanis(C17)
\\sim Ueq, Uanis(C80) \\sim Ueq, Uanis(C140) \\sim Ueq, Uanis(C4) \\sim Ueq,
Uanis(C5) \\sim Ueq, Uanis(C6) \\sim Ueq, Uanis(C7) \\sim Ueq, Uanis(C8) \\sim
Ueq, Uanis(C9) \\sim Ueq, Uanis(C10) \\sim Ueq, Uanis(C11) \\sim Ueq,
Uanis(C12) \\sim Ueq, Uanis(C13) \\sim Ueq, Uanis(C14) \\sim Ueq, Uanis(C15)
\\sim Ueq, Uanis(C18) \\sim Ueq, Uanis(C19) \\sim Ueq, Uanis(C20) \\sim Ueq,
Uanis(C21) \\sim Ueq, Uanis(C22) \\sim Ueq, Uanis(C23) \\sim Ueq, Uanis(C24)
\\sim Ueq, Uanis(C25) \\sim Ueq, Uanis(C26) \\sim Ueq, Uanis(C27) \\sim Ueq,
Uanis(C28) \\sim Ueq, Uanis(C29) \\sim Ueq, Uanis(C30) \\sim Ueq, Uanis(C31)
\\sim Ueq, Uanis(C32) \\sim Ueq, Uanis(C33) \\sim Ueq, Uanis(C34) \\sim Ueq,
Uanis(C35) \\sim Ueq, Uanis(C37) \\sim Ueq, Uanis(C39) \\sim Ueq, Uanis(C40)
\\sim Ueq, Uanis(C41) \\sim Ueq, Uanis(C42) \\sim Ueq, Uanis(C43) \\sim Ueq,
Uanis(C44) \\sim Ueq, Uanis(C45) \\sim Ueq, Uanis(C46) \\sim Ueq, Uanis(C47)
\\sim Ueq, Uanis(C49) \\sim Ueq, Uanis(C50) \\sim Ueq, Uanis(C51) \\sim Ueq,
Uanis(C52) \\sim Ueq, Uanis(C53) \\sim Ueq, Uanis(C54) \\sim Ueq, Uanis(C55)
\\sim Ueq, Uanis(C56) \\sim Ueq, Uanis(C57) \\sim Ueq, Uanis(C58) \\sim Ueq,
Uanis(C60) \\sim Ueq, Uanis(C61) \\sim Ueq, Uanis(C62) \\sim Ueq, Uanis(C63)
\\sim Ueq, Uanis(C64) \\sim Ueq, Uanis(C65) \\sim Ueq, Uanis(C66) \\sim Ueq,
Uanis(C67) \\sim Ueq, Uanis(C68) \\sim Ueq, Uanis(C69) \\sim Ueq, Uanis(C70)
\\sim Ueq, Uanis(C71) \\sim Ueq, Uanis(C72) \\sim Ueq, Uanis(C74) \\sim Ueq,
Uanis(C75) \\sim Ueq, Uanis(C76) \\sim Ueq, Uanis(C77) \\sim Ueq, Uanis(C78)
\\sim Ueq, Uanis(C79) \\sim Ueq, Uanis(C81) \\sim Ueq, Uanis(C82) \\sim Ueq,
Uanis(C83) \\sim Ueq, Uanis(C84) \\sim Ueq, Uanis(C85) \\sim Ueq, Uanis(C86)
\\sim Ueq, Uanis(C87) \\sim Ueq, Uanis(C88) \\sim Ueq, Uanis(C89) \\sim Ueq,
Uanis(C90) \\sim Ueq, Uanis(C91) \\sim Ueq, Uanis(C92) \\sim Ueq, Uanis(C93)
\\sim Ueq, Uanis(C94) \\sim Ueq, Uanis(C95) \\sim Ueq, Uanis(C96) \\sim Ueq,
Uanis(C97) \\sim Ueq, Uanis(C98) \\sim Ueq, Uanis(C99) \\sim Ueq, Uanis(C101)
\\sim Ueq, Uanis(C102) \\sim Ueq, Uanis(C103) \\sim Ueq, Uanis(C104) \\sim Ueq,
Uanis(C105) \\sim Ueq, Uanis(C106) \\sim Ueq, Uanis(C107) \\sim Ueq,
Uanis(C108) \\sim Ueq, Uanis(C109) \\sim Ueq, Uanis(C110) \\sim Ueq,
Uanis(C111) \\sim Ueq, Uanis(C112) \\sim Ueq, Uanis(C113) \\sim Ueq,
Uanis(C114) \\sim Ueq, Uanis(C115) \\sim Ueq, Uanis(C116) \\sim Ueq,
Uanis(C117) \\sim Ueq, Uanis(C118) \\sim Ueq, Uanis(C119) \\sim Ueq,
Uanis(C120) \\sim Ueq, Uanis(C121) \\sim Ueq, Uanis(C122) \\sim Ueq,
Uanis(C123) \\sim Ueq, Uanis(C124) \\sim Ueq, Uanis(C125) \\sim Ueq,
Uanis(C126) \\sim Ueq, Uanis(C127) \\sim Ueq, Uanis(C128) \\sim Ueq,
Uanis(C129) \\sim Ueq, Uanis(C130) \\sim Ueq, Uanis(C131) \\sim Ueq,
Uanis(C132) \\sim Ueq, Uanis(C133) \\sim Ueq, Uanis(C134) \\sim Ueq,
Uanis(C135) \\sim Ueq, Uanis(C136) \\sim Ueq, Uanis(C137) \\sim Ueq,
Uanis(C138) \\sim Ueq, Uanis(C139) \\sim Ueq, Uanis(C141) \\sim Ueq,
Uanis(C142) \\sim Ueq, Uanis(C143) \\sim Ueq, Uanis(C144) \\sim Ueq,
Uanis(C145) \\sim Ueq, Uanis(C146) \\sim Ueq, Uanis(C147) \\sim Ueq,
Uanis(C158) \\sim Ueq, Uanis(C162) \\sim Ueq, Uanis(C163) \\sim Ueq,
Uanis(C170) \\sim Ueq, Uanis(C172) \\sim Ueq, Uanis(C185) \\sim Ueq,
Uanis(C202) \\sim Ueq, Uanis(C295) \\sim Ueq, Uanis(C148) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
4. Rigid body (RIGU) restrains
 S00Y, C91, C95, C97, C92, C93, C96, C103, C99, C98, C120
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 S00T, C123, C65, C81, C117, C119, C144, C158, C163, C172, C202
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 S00P, C39, C86, C83, C77, C82, C76, C79, C88, C121, C89
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 S00W, C138, C136, C139, C146, C142, C145, C141, C143, C134, C135
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 S00S, C23, C25, C24, C66, C30, C90, C101, C125, C27, C170
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 S00K, C21, C41, C37, C47, C87, C46, C147, C40, C34, C63
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 C111, C113, C114, C106, C108, C104, C112, C110, C115, C107, S00V
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
5. Others
 Fixed Sof: Cl2(0.5) Cl5(0.5) C148(0.5) H14N(0.5) H14O(0.5)
6.a Riding coordinates:
 C32(H32A,H32B,H32C), C66(H66A,H66B,H66C), C78(H78A,H78B,H78C), C79(H79A,H79B,
 H79C), C83(H83A,H83B,H83C), C94(H94A,H94B,H94C), C96(H96A,H96B,H96C),
 C138(H13K,H13L,H13M), C163(H16A,H16B,H16C)
6.b Ternary CH refined with riding coordinates:
 C4(H4), C7(H7), C8(H8), C13(H13), C18(H18), C21(H21), C23(H23), C27(H27),
 C39(H39), C49(H49), C50(H50), C57(H57), C63(H63), C68(H68), C74(H74), C82(H82),
  C91(H91), C95(H95), C104(H104), C111(H111), C116(H116), C123(H123),
 C128(H128), C134(H134), C143(H143), C202(H202)
6.c Secondary CH2 refined with riding coordinates:
 C2(H2A,H2B), C5(H5A,H5B), C15(H15A,H15B), C20(H20A,H20B), C22(H22A,H22B),
 C24(H24A,H24B), C28(H28A,H28B), C31(H31A,H31B), C34(H34A,H34B), C35(H35A,H35B),
  C37(H37A,H37B), C47(H47A,H47B), C52(H52A,H52B), C60(H60A,H60B), C61(H61A,
 H61B), C65(H65A,H65B), C67(H67A,H67B), C69(H69A,H69B), C72(H72A,H72B),
 C81(H81A,H81B), C84(H84A,H84B), C86(H86A,H86B), C88(H88A,H88B), C89(H89A,H89B),
  C90(H90A,H90B), C97(H97A,H97B), C98(H98A,H98B), C102(H10D,H10E), C107(H10L,
 H10M), C113(H11D,H11E), C114(H11F,H11G), C118(H11K,H11L), C119(H11M,H11N),
 C120(H12D,H12E), C127(H12I,H12J), C132(H13D,H13E), C135(H13I,H13J), C145(H14G,
 H14H), C146(H14I,H14J), C170(H17A,H17B), C148(H14N,H14O)
6.d Aromatic/amide H refined with riding coordinates:
 C59(H59), C36(H36), C48(H48), C100(H100), C16(H16), C38(H38), C73(H73),
 C17(H17), C80(H80), C140(H140), C11(H11), C26(H26), C29(H29), C45(H45),
 C51(H51), C109(H109), C130(H130), C137(H137), C162(H162), C185(H185)
6.e Fitted hexagon refined as free rotating group:
 C1(C59,C36,C48,C100,C16), C3(C38,C73,C17,C80,C140)
6.f Idealised Me refined as rotating group:
 C12(H12A,H12B,H12C), C30(H30A,H30B,H30C), C41(H41A,H41B,H41C), C42(H42A,H42B,
 H42C), C43(H43A,H43B,H43C), C55(H55A,H55B,H55C), C56(H56A,H56B,H56C), C58(H58A,
 H58B,H58C), C64(H64A,H64B,H64C), C75(H75A,H75B,H75C), C77(H77A,H77B,H77C),
 C85(H85A,H85B,H85C), C87(H87A,H87B,H87C), C99(H99A,H99B,H99C), C101(H10A,H10B,
 H10C), C103(H10F,H10G,H10H), C105(H10I,H10J,H10K), C108(H10N,H10O,H10P),
 C112(H11A,H11B,H11C), C115(H11H,H11I,H11J), C122(H12F,H12G,H12H), C129(H12K,
 H12L,H12M), C131(H13A,H13B,H13C), C133(H13F,H13G,H13H), C141(H14A,H14B,H14C),
 C142(H14D,H14E,H14F), C147(H14K,H14L,H14M), C158(H15C,H15D,H15E), C172(H17C,
 H17D,H17E), C295(H29A,H29B,H29C)
;
_atom_sites_solution_hydrogens   mixed
_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 -0.23042(6) 1.12070(6) -0.39344(3) 0.0639(3) Uani 1 1 d . . . . .
Au02 Au -0.25416(6) 1.04404(6) -0.44179(3) 0.0628(3) Uani 1 1 d D . . . .
Au03 Au -0.24470(6) 0.99815(6) -0.38297(3) 0.0638(3) Uani 1 1 d . . . . .
Au04 Au -0.35717(6) 1.06552(6) -0.39781(3) 0.0645(3) Uani 1 1 d . . . . .
Au05 Au -0.36769(6) 0.94317(6) -0.36786(3) 0.0668(3) Uani 1 1 d . . . . .
Au06 Au -0.48518(6) 1.01585(7) -0.35213(3) 0.0715(3) Uani 1 1 d . . . . .
Au07 Au -0.32757(6) 1.03436(7) -0.33326(3) 0.0687(3) Uani 1 1 d D . . . .
Au08 Au -0.11794(6) 1.02817(7) -0.40262(3) 0.0705(3) Uani 1 1 d . . . . .
Au09 Au -0.15266(6) 0.90974(6) -0.38722(3) 0.0720(3) Uani 1 1 d . . . . .
Au0A Au -0.30108(6) 0.84170(7) -0.39942(4) 0.0735(3) Uani 1 1 d . . . . .
Au0B Au -0.09481(7) 0.87068(7) -0.32239(3) 0.0768(4) Uani 1 1 d . . . . .
Au0C Au -0.35219(7) 1.17632(7) -0.35777(3) 0.0739(4) Uani 1 1 d D . . . .
Au0D Au -0.13007(6) 0.99011(7) -0.34230(3) 0.0732(3) Uani 1 1 d . . . . .
Au0E Au -0.00360(6) 0.91400(7) -0.39267(3) 0.0768(4) Uani 1 1 d . . . . .
Au0F Au -0.33366(8) 1.17220(7) -0.43735(3) 0.0758(4) Uani 1 1 d D . . . .
Au0G Au -0.25853(6) 0.93031(7) -0.32792(3) 0.0759(4) Uani 1 1 d . . . . .
Au0H Au -0.11991(7) 0.95039(7) -0.45620(4) 0.0795(4) Uani 1 1 d . . . . .
Au0I Au -0.39966(9) 0.97414(9) -0.28212(4) 0.0945(5) Uani 1 1 d . . . . .
Au0J Au -0.21527(9) 1.01554(10) -0.27601(4) 0.0984(5) Uani 1 1 d . . . . .
S00K S -0.3146(4) 1.1293(4) -0.31296(18) 0.074(2) Uani 1 1 d . . . . .
S00M S 0.0159(4) 0.8764(4) -0.34376(19) 0.076(2) Uani 1 1 d . . . . .
S00N S -0.1878(4) 0.8108(4) -0.3944(2) 0.0706(19) Uani 1 1 d . . . . .
S00O S -0.0037(4) 0.9514(4) -0.4422(2) 0.073(2) Uani 1 1 d . . . . .
S00P S -0.4796(4) 1.0777(4) -0.3948(2) 0.080(2) Uani 1 1 d D . . . .
S00Q S -0.4142(4) 0.8748(4) -0.40373(19) 0.074(2) Uani 1 1 d . . . . .
S00S S -0.1100(5) 1.0423(5) -0.2967(2) 0.089(2) Uani 1 1 d . . . . .
S00T S -0.4996(5) 0.9541(4) -0.3099(2) 0.087(2) Uani 1 1 d D . . . .
S00U S -0.3994(5) 1.2229(4) -0.4008(2) 0.083(2) Uani 1 1 d . . . . .
S00V S -0.2007(4) 0.8607(5) -0.2971(2) 0.085(2) Uani 1 1 d . . . . .
S00W S -0.2582(5) 1.1354(4) -0.4750(2) 0.087(2) Uani 1 1 d D . . . .
S00X S -0.2231(5) 0.9766(5) -0.4822(3) 0.100(3) Uani 1 1 d . . . . .
S00Y S -0.3138(6) 0.9953(9) -0.2475(3) 0.139(5) Uani 1 1 d . . . . .
P00L P -0.0404(4) 1.1044(4) -0.4070(2) 0.073(2) Uani 1 1 d . . . . .
P00R P -0.1498(4) 1.1885(4) -0.3775(2) 0.0682(19) Uani 1 1 d . . . . .
C1 C -0.0339(11) 1.1436(9) -0.4427(4) 0.058(6) Uani 1 1 d G U . . .
C59 C -0.0476(12) 1.1133(8) -0.4700(5) 0.074(8) Uani 1 1 d G U . . .
H59 H -0.060949 1.073286 -0.469197 0.088 Uiso 1 1 calc R U . . .
C36 C -0.0419(14) 1.1415(11) -0.4985(4) 0.099(12) Uani 1 1 d G U . . .
H36 H -0.051215 1.120706 -0.517194 0.119 Uiso 1 1 calc R U . . .
C48 C -0.0224(15) 1.2000(11) -0.4997(5) 0.106(13) Uani 1 1 d G U . . .
H48 H -0.018418 1.219235 -0.519212 0.128 Uiso 1 1 calc R U . . .
C100 C -0.0087(16) 1.2303(8) -0.4724(7) 0.124(16) Uani 1 1 d G U . . .
H100 H 0.004645 1.270345 -0.473232 0.149 Uiso 1 1 calc R U . . .
C16 C -0.0145(14) 1.2022(9) -0.4439(5) 0.104(12) Uani 1 1 d G U . . .
H16 H -0.005088 1.222926 -0.425234 0.125 Uiso 1 1 calc R U . . .
C2 C -0.0790(12) 0.7864(12) -0.4354(8) 0.079(9) Uani 1 1 d D U . . .
H2A H -0.067080 0.818197 -0.450129 0.095 Uiso 1 1 calc R U . . .
H2B H -0.056324 0.794329 -0.415180 0.095 Uiso 1 1 calc R U . . .
C3 C -0.1625(13) 1.2227(11) -0.3393(4) 0.077(8) Uani 1 1 d G U . . .
C38 C -0.1998(14) 1.2745(11) -0.3367(5) 0.104(12) Uani 1 1 d G U . . .
H38 H -0.219033 1.292299 -0.354740 0.125 Uiso 1 1 calc R U . . .
C73 C -0.2090(14) 1.3005(9) -0.3078(6) 0.096(11) Uani 1 1 d G U . . .
H73 H -0.234476 1.335927 -0.306031 0.115 Uiso 1 1 calc R U . . .
C17 C -0.1808(14) 1.2745(11) -0.2814(4) 0.085(10) Uani 1 1 d G U . . .
H17 H -0.187105 1.292201 -0.261637 0.102 Uiso 1 1 calc R U . . .
C80 C -0.1435(13) 1.2226(11) -0.2840(4) 0.091(10) Uani 1 1 d G U . . .
H80 H -0.124291 1.204847 -0.265952 0.110 Uiso 1 1 calc R U . . .
C140 C -0.1343(13) 1.1967(9) -0.3129(5) 0.094(11) Uani 1 1 d G U . . .
H140 H -0.108847 1.161219 -0.314661 0.113 Uiso 1 1 calc R U . . .
C4 C -0.0573(13) 0.7264(10) -0.4483(6) 0.080(9) Uani 1 1 d D U . . .
H4 H -0.005939 0.719156 -0.447492 0.095 Uiso 1 1 calc R U . . .
C5 C -0.1669(13) 0.7079(16) -0.4740(5) 0.083(9) Uani 1 1 d D U . . .
H5A H -0.181630 0.668302 -0.480654 0.099 Uiso 1 1 calc R U . . .
H5B H -0.196960 0.737434 -0.484120 0.099 Uiso 1 1 calc R U . . .
C6 C -0.1688(11) 0.7140(10) -0.4380(5) 0.077(8) Uani 1 1 d D U . . .
C7 C -0.1590(12) 0.7802(9) -0.4317(7) 0.070(8) Uani 1 1 d D U . . .
H7 H -0.182108 0.802598 -0.448820 0.084 Uiso 1 1 calc R U . . .
C8 C -0.4728(12) 0.8311(13) -0.3834(8) 0.081(9) Uani 1 1 d D U . . .
H8 H -0.448419 0.821379 -0.363525 0.098 Uiso 1 1 calc R U . . .
C9 C -0.137(2) 1.2531(18) -0.4010(9) 0.091(10) Uani 1 1 d . U . . .
C10 C 0.1225(14) 0.9074(13) -0.4705(6) 0.108(13) Uani 1 1 d D U . . .
C11 C 0.126(2) 1.0326(18) -0.3640(9) 0.089(10) Uani 1 1 d . U . . .
H11 H 0.131666 1.006163 -0.347190 0.106 Uiso 1 1 calc R U . . .
C12 C 0.1617(19) 0.9320(16) -0.4424(7) 0.090(10) Uani 1 1 d D U . . .
H12A H 0.205537 0.949666 -0.449293 0.135 Uiso 1 1 calc R U . . .
H12B H 0.171704 0.900259 -0.427695 0.135 Uiso 1 1 calc R U . . .
H12C H 0.133032 0.961724 -0.432110 0.135 Uiso 1 1 calc R U . . .
C13 C 0.0834(17) 0.8909(13) -0.5185(9) 0.121(15) Uani 1 1 d D U . . .
H13 H 0.078241 0.895947 -0.541429 0.145 Uiso 1 1 calc R U . . .
C14 C 0.1272(12) 0.9368(12) -0.5020(5) 0.096(11) Uani 1 1 d D U . . .
C15 C -0.0616(19) 1.1527(18) -0.3779(9) 0.087(10) Uani 1 1 d . U . . .
H15A H -0.026381 1.184354 -0.378210 0.105 Uiso 1 1 calc R U . . .
H15B H -0.056158 1.131838 -0.357915 0.105 Uiso 1 1 calc R U . . .
C18 C 0.0440(13) 0.8963(16) -0.4661(7) 0.077(8) Uani 1 1 d D U . . .
H18 H 0.037885 0.857003 -0.456256 0.092 Uiso 1 1 calc R U . . .
C19 C -0.0997(12) 0.6865(9) -0.4263(4) 0.089(10) Uani 1 1 d D U . . .
C20 C 0.121(3) 0.8347(19) -0.5078(11) 0.135(18) Uani 1 1 d D U . . .
H20A H 0.086892 0.802118 -0.506445 0.162 Uiso 1 1 calc R U . . .
H20B H 0.157149 0.823922 -0.523012 0.162 Uiso 1 1 calc R U . . .
C21 C -0.3824(17) 1.1357(9) -0.2844(7) 0.100(4) Uani 1 1 d D U . . .
H21 H -0.377537 1.099374 -0.271610 0.119 Uiso 1 1 calc R U . . .
C22 C 0.0152(19) 0.893(3) -0.4994(7) 0.124(16) Uani 1 1 d D U . . .
H22A H -0.012599 0.928589 -0.504579 0.149 Uiso 1 1 calc R U . . .
H22B H -0.013615 0.857993 -0.502676 0.149 Uiso 1 1 calc R U . . .
C23 C -0.0457(14) 1.004(2) -0.2727(6) 0.121(7) Uani 1 1 d D U . . .
H23 H -0.065023 0.963748 -0.269925 0.145 Uiso 1 1 calc R U . . .
C24 C 0.0282(17) 0.994(2) -0.2879(6) 0.134(8) Uani 1 1 d D U . . .
H24A H 0.033021 0.954334 -0.296255 0.161 Uiso 1 1 calc R U . . .
H24B H 0.036712 1.023000 -0.304819 0.161 Uiso 1 1 calc R U . . .
C25 C -0.0265(12) 1.0249(12) -0.2389(6) 0.138(7) Uani 1 1 d D U . . .
C26 C 0.171(2) 1.0896(19) -0.4042(10) 0.098(11) Uani 1 1 d . U . . .
H26 H 0.209762 1.105209 -0.415412 0.117 Uiso 1 1 calc R U . . .
C27 C 0.0790(12) 1.0050(14) -0.2597(7) 0.146(7) Uani 1 1 d D U . . .
H27 H 0.128628 1.012467 -0.265570 0.176 Uiso 1 1 calc R U . . .
C28 C -0.0890(15) 0.719(2) -0.4813(5) 0.113(14) Uani 1 1 d D U . . .
H28A H -0.082648 0.754481 -0.493973 0.135 Uiso 1 1 calc R U . . .
H28B H -0.068070 0.685010 -0.492252 0.135 Uiso 1 1 calc R U . . .
C29 C 0.182(2) 1.052(2) -0.3784(10) 0.103(12) Uani 1 1 d . U . . .
H29 H 0.227806 1.042037 -0.371614 0.124 Uiso 1 1 calc R U . . .
C30 C -0.0931(19) 1.048(2) -0.2236(9) 0.156(13) Uani 1 1 d D U . . .
H30A H -0.113469 1.078536 -0.236635 0.235 Uiso 1 1 calc R U . . .
H30B H -0.081950 1.063822 -0.203106 0.235 Uiso 1 1 calc R U . . .
H30C H -0.126495 1.015643 -0.221358 0.235 Uiso 1 1 calc R U . . .
C31 C 0.154(3) 0.8458(16) -0.4758(10) 0.125(16) Uani 1 1 d D U . . .
H31A H 0.205248 0.846414 -0.476654 0.151 Uiso 1 1 calc R U . . .
H31B H 0.137978 0.817227 -0.459982 0.151 Uiso 1 1 calc R U . . .
C32 C -0.2399(17) 0.693(2) -0.4255(11) 0.113(14) Uani 1 1 d D U . . .
H32A H -0.277117 0.707313 -0.439054 0.170 Uiso 1 1 d R U . . .
H32B H -0.246827 0.708183 -0.404414 0.170 Uiso 1 1 d R U . . .
H32C H -0.240787 0.650114 -0.425014 0.170 Uiso 1 1 d R U . . .
C33 C -0.4971(12) 0.7704(10) -0.3966(6) 0.119(14) Uani 1 1 d D U . . .
C34 C -0.4594(16) 1.1353(12) -0.2945(9) 0.101(4) Uani 1 1 d D U . . .
H34A H -0.481894 1.097607 -0.289241 0.121 Uiso 1 1 calc R U . . .
H34B H -0.463824 1.142222 -0.317114 0.121 Uiso 1 1 calc R U . . .
C35 C -0.521(2) 0.7309(17) -0.3687(9) 0.136(18) Uani 1 1 d D U . . .
H35A H -0.486306 0.731990 -0.351560 0.163 Uiso 1 1 calc R U . . .
H35B H -0.527681 0.689874 -0.375331 0.163 Uiso 1 1 calc R U . . .
C37 C -0.3840(14) 1.2443(9) -0.2797(7) 0.105(4) Uani 1 1 d D U . . .
H37A H -0.374062 1.278938 -0.266555 0.127 Uiso 1 1 calc R U . . .
H37B H -0.351287 1.243727 -0.297431 0.127 Uiso 1 1 calc R U . . .
C39 C -0.5259(15) 1.0211(19) -0.4224(6) 0.135(7) Uani 1 1 d D U . . .
H39 H -0.498148 0.984104 -0.422702 0.162 Uiso 1 1 calc R U . . .
C40 C -0.3794(11) 1.1857(11) -0.2601(5) 0.105(4) Uani 1 1 d D U . . .
C41 C -0.3150(17) 1.176(2) -0.2394(9) 0.111(6) Uani 1 1 d D U . . .
H41A H -0.327820 1.182391 -0.217598 0.167 Uiso 1 1 calc R U . . .
H41B H -0.278644 1.204436 -0.245247 0.167 Uiso 1 1 calc R U . . .
H41C H -0.297496 1.136474 -0.242198 0.167 Uiso 1 1 calc R U . . .
C42 C -0.0952(18) 0.6236(8) -0.4382(8) 0.126(16) Uani 1 1 d D U . . .
H42A H -0.098132 0.623420 -0.460904 0.189 Uiso 1 1 calc R U . . .
H42B H -0.133750 0.600689 -0.429524 0.189 Uiso 1 1 calc R U . . .
H42C H -0.050817 0.606313 -0.431668 0.189 Uiso 1 1 calc R U . . .
C43 C 0.093(2) 0.9964(11) -0.5024(8) 0.114(14) Uani 1 1 d D U . . .
H43A H 0.118257 1.022458 -0.488067 0.172 Uiso 1 1 calc R U . . .
H43B H 0.044753 0.992899 -0.495862 0.172 Uiso 1 1 calc R U . . .
H43C H 0.095522 1.012511 -0.523454 0.172 Uiso 1 1 calc R U . . .
C44 C 0.0520(17) 1.0843(16) -0.3965(9) 0.079(8) Uani 1 1 d . U . . .
C45 C -0.175(2) 1.2579(19) -0.4322(9) 0.096(11) Uani 1 1 d . U . . .
H45 H -0.203578 1.226774 -0.439400 0.115 Uiso 1 1 calc R U . . .
C46 C -0.4520(14) 1.1794(11) -0.2450(6) 0.106(4) Uani 1 1 d D U . . .
C47 C -0.4621(15) 1.2441(11) -0.2910(7) 0.105(4) Uani 1 1 d D U . . .
H47A H -0.464922 1.242209 -0.313995 0.126 Uiso 1 1 calc R U . . .
H47B H -0.487302 1.279217 -0.283669 0.126 Uiso 1 1 calc R U . . .
C49 C 0.0387(12) 0.7985(17) -0.3513(5) 0.090(10) Uani 1 1 d D U . . .
H49 H -0.005417 0.775555 -0.353512 0.108 Uiso 1 1 calc R U . . .
C50 C -0.5987(11) 0.8123(12) -0.3819(6) 0.124(16) Uani 1 1 d D U . . .
H50 H -0.647199 0.827556 -0.384569 0.149 Uiso 1 1 calc R U . . .
C51 C -0.121(2) 1.350(2) -0.4381(11) 0.104(12) Uani 1 1 d . U . . .
H51 H -0.115299 1.385474 -0.449177 0.125 Uiso 1 1 calc R U . . .
C52 C 0.0840(15) 0.7885(17) -0.3809(5) 0.094(11) Uani 1 1 d D U . . .
H52A H 0.058777 0.765382 -0.396749 0.113 Uiso 1 1 calc R U . . .
H52B H 0.099625 0.825919 -0.390069 0.113 Uiso 1 1 calc R U . . .
C53 C 0.0832(12) 0.7707(12) -0.3254(5) 0.121(15) Uani 1 1 d D U . . .
C54 C 0.1607(11) 0.7813(11) -0.3344(6) 0.109(13) Uani 1 1 d D U . . .
C55 C -0.560(2) 0.8300(17) -0.4368(6) 0.124(15) Uani 1 1 d D U . . .
H55A H -0.600229 0.856920 -0.436128 0.185 Uiso 1 1 calc R U . . .
H55B H -0.559765 0.809771 -0.456862 0.185 Uiso 1 1 calc R U . . .
H55C H -0.517191 0.852204 -0.434186 0.185 Uiso 1 1 calc R U . . .
C56 C 0.181(3) 0.8460(12) -0.3374(12) 0.131(17) Uani 1 1 d D U . . .
H56A H 0.159737 0.862426 -0.356166 0.197 Uiso 1 1 calc R U . . .
H56B H 0.231862 0.849306 -0.338884 0.197 Uiso 1 1 calc R U . . .
H56C H 0.164651 0.867538 -0.319141 0.197 Uiso 1 1 calc R U . . .
C57 C 0.1456(13) 0.7536(12) -0.3668(5) 0.093(10) Uani 1 1 d D U . . .
H57 H 0.187207 0.750838 -0.380662 0.112 Uiso 1 1 calc R U . . .
C58 C -0.087(3) 0.6887(18) -0.3914(5) 0.118(15) Uani 1 1 d D U . . .
H58A H -0.090877 0.729176 -0.384075 0.177 Uiso 1 1 calc R U . . .
H58B H -0.039468 0.674337 -0.386973 0.177 Uiso 1 1 calc R U . . .
H58C H -0.120701 0.664108 -0.380680 0.177 Uiso 1 1 calc R U . . .
C60 C 0.109(2) 0.6945(15) -0.3606(8) 0.130(17) Uani 1 1 d D U . . .
H60A H 0.076303 0.684691 -0.377691 0.157 Uiso 1 1 calc R U . . .
H60B H 0.143272 0.662489 -0.358442 0.157 Uiso 1 1 calc R U . . .
C61 C 0.069(2) 0.7045(15) -0.3299(10) 0.144(19) Uani 1 1 d D U . . .
H61A H 0.088796 0.680931 -0.312672 0.173 Uiso 1 1 calc R U . . .
H61B H 0.018847 0.696013 -0.332032 0.173 Uiso 1 1 calc R U . . .
C62 C -0.5671(14) 0.7858(12) -0.4109(6) 0.135(18) Uani 1 1 d D U . . .
C63 C -0.4922(13) 1.1864(12) -0.2756(6) 0.104(4) Uani 1 1 d D U . . .
H63 H -0.544062 1.185116 -0.273654 0.125 Uiso 1 1 calc R U . . .
C64 C 0.0550(19) 0.7893(16) -0.2937(5) 0.101(12) Uani 1 1 d D U . . .
H64A H 0.058359 0.831963 -0.291641 0.152 Uiso 1 1 calc R U . . .
H64B H 0.082445 0.770680 -0.277218 0.152 Uiso 1 1 calc R U . . .
H64C H 0.006191 0.777359 -0.291801 0.152 Uiso 1 1 calc R U . . .
C65 C -0.7121(18) 1.0239(18) -0.2683(8) 0.146(9) Uani 1 1 d D U . . .
H65A H -0.757337 1.016373 -0.258007 0.175 Uiso 1 1 calc R U . . .
H65B H -0.711712 1.064318 -0.276542 0.175 Uiso 1 1 calc R U . . .
C66 C 0.031(2) 1.1052(15) -0.2697(10) 0.166(14) Uani 1 1 d D U . . .
H66A H 0.019568 1.141910 -0.259047 0.248 Uiso 1 1 d R U . . .
H66B H 0.074188 1.110250 -0.281547 0.248 Uiso 1 1 d R U . . .
H66C H -0.006892 1.094640 -0.283807 0.248 Uiso 1 1 d R U . . .
C67 C -0.5435(15) 0.8598(13) -0.3730(11) 0.116(14) Uani 1 1 d D U . . .
H67A H -0.543855 0.867676 -0.350383 0.139 Uiso 1 1 calc R U . . .
H67B H -0.552032 0.896896 -0.384307 0.139 Uiso 1 1 calc R U . . .
C68 C -0.362(2) 1.2948(11) -0.4058(7) 0.131(6) Uani 1 1 d D U . . .
H68 H -0.310962 1.290135 -0.402350 0.157 Uiso 1 1 calc R U . . .
C69 C -0.371(3) 1.3179(14) -0.4405(6) 0.132(6) Uani 1 1 d D U . . .
H69A H -0.326344 1.316660 -0.452034 0.158 Uiso 1 1 calc R U . . .
H69B H -0.406452 1.295063 -0.452044 0.158 Uiso 1 1 calc R U . . .
C70 C -0.3843(13) 1.3497(11) -0.3867(5) 0.132(6) Uani 1 1 d D U . . .
C71 C -0.4452(12) 1.3723(13) -0.4065(6) 0.133(6) Uani 1 1 d D U . . .
C72 C -0.3250(15) 1.3938(16) -0.3874(8) 0.132(6) Uani 1 1 d D U . . .
H72A H -0.279464 1.374999 -0.383354 0.159 Uiso 1 1 calc R U . . .
H72B H -0.332491 1.425856 -0.372276 0.159 Uiso 1 1 calc R U . . .
C74 C -0.3958(16) 1.3827(13) -0.4347(5) 0.132(6) Uani 1 1 d D U . . .
H74 H -0.418159 1.402036 -0.453005 0.158 Uiso 1 1 calc R U . . .
C75 C -0.407(2) 1.3327(17) -0.3547(6) 0.134(8) Uani 1 1 d D U . . .
H75A H -0.445963 1.305523 -0.355929 0.201 Uiso 1 1 calc R U . . .
H75B H -0.420579 1.367704 -0.343123 0.201 Uiso 1 1 calc R U . . .
H75C H -0.367683 1.313616 -0.343910 0.201 Uiso 1 1 calc R U . . .
C76 C -0.6080(14) 1.0738(11) -0.4568(6) 0.146(8) Uani 1 1 d D U . . .
C77 C -0.609(2) 1.1249(12) -0.4354(9) 0.133(11) Uani 1 1 d D U . . .
H77A H -0.656239 1.131444 -0.427901 0.200 Uiso 1 1 calc R U . . .
H77B H -0.592505 1.159716 -0.446575 0.200 Uiso 1 1 calc R U . . .
H77C H -0.577871 1.117203 -0.417756 0.200 Uiso 1 1 calc R U . . .
C78 C -0.445(2) 0.736(2) -0.4164(12) 0.135(17) Uani 1 1 d D U . . .
H78A H -0.446412 0.749455 -0.438005 0.203 Uiso 1 1 d R U . . .
H78B H -0.397642 0.741255 -0.408145 0.203 Uiso 1 1 d R U . . .
H78C H -0.456742 0.694005 -0.415745 0.203 Uiso 1 1 d R U . . .
C79 C -0.635(2) 1.0842(18) -0.4888(7) 0.178(14) Uani 1 1 d D U . . .
H79A H -0.681703 1.100852 -0.487620 0.267 Uiso 1 1 d R U . . .
H79B H -0.603853 1.111462 -0.499650 0.267 Uiso 1 1 d R U . . .
H79C H -0.636393 1.047002 -0.500110 0.267 Uiso 1 1 d R U . . .
C81 C -0.6492(17) 1.0130(19) -0.2454(7) 0.131(8) Uani 1 1 d D U . . .
H81A H -0.621114 1.048929 -0.242621 0.157 Uiso 1 1 calc R U . . .
H81B H -0.665711 0.999277 -0.224875 0.157 Uiso 1 1 calc R U . . .
C82 C -0.6418(13) 1.0187(13) -0.4422(7) 0.146(7) Uani 1 1 d D U . . .
H82 H -0.693269 1.022555 -0.439231 0.176 Uiso 1 1 calc R U . . .
C83 C -0.475(2) 1.079(2) -0.4662(12) 0.132(11) Uani 1 1 d D U . . .
H83A H -0.459182 1.102915 -0.448590 0.197 Uiso 1 1 d R U . . .
H83B H -0.487822 1.104715 -0.483500 0.197 Uiso 1 1 d R U . . .
H83C H -0.436402 1.053395 -0.472830 0.197 Uiso 1 1 d R U . . .
C84 C -0.3312(18) 1.4156(16) -0.4214(8) 0.132(6) Uani 1 1 d D U . . .
H84A H -0.288714 1.405717 -0.433377 0.159 Uiso 1 1 calc R U . . .
H84B H -0.338315 1.458428 -0.422087 0.159 Uiso 1 1 calc R U . . .
C85 C 0.2054(16) 0.7376(18) -0.3159(7) 0.130(17) Uani 1 1 d D U . . .
H85A H 0.254315 0.741624 -0.322060 0.195 Uiso 1 1 calc R U . . .
H85B H 0.189599 0.697636 -0.320252 0.195 Uiso 1 1 calc R U . . .
H85C H 0.200822 0.745589 -0.293619 0.195 Uiso 1 1 calc R U . . .
C86 C -0.5481(19) 0.9852(16) -0.4764(9) 0.142(9) Uani 1 1 d D U . . .
H86A H -0.548327 0.993639 -0.498982 0.171 Uiso 1 1 calc R U . . .
H86B H -0.512406 0.955175 -0.471795 0.171 Uiso 1 1 calc R U . . .
C87 C -0.462(3) 1.2282(14) -0.2213(9) 0.114(6) Uani 1 1 d D U . . .
H87A H -0.460308 1.266204 -0.231814 0.171 Uiso 1 1 calc R U . . .
H87B H -0.424942 1.226279 -0.205655 0.171 Uiso 1 1 calc R U . . .
H87C H -0.507339 1.223612 -0.211057 0.171 Uiso 1 1 calc R U . . .
C88 C -0.621(2) 0.9670(13) -0.4645(9) 0.155(10) Uani 1 1 d D U . . .
H88A H -0.618770 0.929386 -0.453144 0.186 Uiso 1 1 calc R U . . .
H88B H -0.654369 0.963258 -0.481925 0.186 Uiso 1 1 calc R U . . .
C89 C -0.6018(18) 1.0067(17) -0.4114(7) 0.141(8) Uani 1 1 d D U . . .
H89A H -0.606418 0.965506 -0.404679 0.169 Uiso 1 1 calc R U . . .
H89B H -0.617122 1.033035 -0.394477 0.169 Uiso 1 1 calc R U . . .
C90 C -0.0044(19) 0.9679(17) -0.2212(8) 0.144(9) Uani 1 1 d D U . . .
H90A H -0.039157 0.936379 -0.223934 0.173 Uiso 1 1 calc R U . . .
H90B H 0.002028 0.975547 -0.198715 0.173 Uiso 1 1 calc R U . . .
C91 C -0.303(2) 0.928(4) -0.2234(7) 0.167(9) Uani 1 1 d D U . . .
H91 H -0.315960 0.893200 -0.236185 0.200 Uiso 1 1 calc R U . . .
C92 C -0.3442(14) 0.9253(16) -0.1918(7) 0.170(8) Uani 1 1 d D U . . .
C93 C -0.2949(16) 0.9514(15) -0.1678(7) 0.175(9) Uani 1 1 d D U . . .
C94 C -0.606(2) 0.7313(15) -0.4211(10) 0.19(3) Uani 1 1 d D U . . .
H94A H -0.598766 0.724857 -0.443387 0.280 Uiso 1 1 d R U . . .
H94B H -0.589006 0.697518 -0.409428 0.280 Uiso 1 1 d R U . . .
H94C H -0.656036 0.736527 -0.417097 0.280 Uiso 1 1 d R U . . .
C95 C -0.2336(14) 0.9121(19) -0.1760(9) 0.170(9) Uani 1 1 d D U . . .
H95 H -0.190524 0.918273 -0.163432 0.204 Uiso 1 1 calc R U . . .
C96 C -0.4201(16) 0.942(2) -0.1986(12) 0.184(15) Uani 1 1 d D U . . .
H96A H -0.421562 0.978310 -0.210296 0.276 Uiso 1 1 d R U . . .
H96B H -0.441742 0.910390 -0.210936 0.276 Uiso 1 1 d R U . . .
H96C H -0.445542 0.946180 -0.179016 0.276 Uiso 1 1 d R U . . .
C97 C -0.341(2) 0.8568(15) -0.1875(13) 0.179(10) Uani 1 1 d D U . . .
H97A H -0.349294 0.836120 -0.207358 0.214 Uiso 1 1 calc R U . . .
H97B H -0.374386 0.843144 -0.171740 0.214 Uiso 1 1 calc R U . . .
C98 C -0.263(2) 0.8480(17) -0.1762(17) 0.178(11) Uani 1 1 d D U . . .
H98A H -0.261543 0.830627 -0.155103 0.214 Uiso 1 1 calc R U . . .
H98B H -0.236626 0.822784 -0.190663 0.214 Uiso 1 1 calc R U . . .
C99 C -0.280(2) 1.0150(15) -0.1738(12) 0.179(14) Uani 1 1 d D U . . .
H99A H -0.237757 1.026519 -0.162569 0.269 Uiso 1 1 calc R U . . .
H99B H -0.319313 1.038705 -0.166662 0.269 Uiso 1 1 calc R U . . .
H99C H -0.273023 1.021112 -0.196143 0.269 Uiso 1 1 calc R U . . .
C101 C 0.076(2) 1.0788(19) -0.2165(9) 0.163(14) Uani 1 1 d D U . . .
H10A H 0.104834 1.112677 -0.221261 0.244 Uiso 1 1 calc R U . . .
H10B H 0.104420 1.047462 -0.207725 0.244 Uiso 1 1 calc R U . . .
H10C H 0.039825 1.090039 -0.201336 0.244 Uiso 1 1 calc R U . . .
C102 C -0.5919(17) 0.7602(16) -0.3586(8) 0.100(12) Uani 1 1 d D U . . .
H10D H -0.631164 0.732463 -0.360873 0.120 Uiso 1 1 calc R U . . .
H10E H -0.589871 0.774189 -0.336896 0.120 Uiso 1 1 calc R U . . .
C103 C -0.321(2) 0.940(2) -0.1351(7) 0.183(15) Uani 1 1 d D U . . .
H10F H -0.281258 0.940054 -0.120722 0.274 Uiso 1 1 calc R U . . .
H10G H -0.344687 0.902512 -0.134301 0.274 Uiso 1 1 calc R U . . .
H10H H -0.353334 0.971463 -0.129108 0.274 Uiso 1 1 calc R U . . .
C104 C -0.227(2) 0.7904(17) -0.3109(9) 0.136(7) Uani 1 1 d D U . . .
H104 H -0.230376 0.792845 -0.333995 0.163 Uiso 1 1 calc R U . . .
C105 C 0.2009(14) 0.9384(19) -0.5144(9) 0.16(2) Uani 1 1 d D U . . .
H10I H 0.221758 0.976575 -0.509876 0.244 Uiso 1 1 calc R U . . .
H10J H 0.200268 0.931972 -0.536892 0.244 Uiso 1 1 calc R U . . .
H10K H 0.228498 0.907554 -0.504393 0.244 Uiso 1 1 calc R U . . .
C106 C -0.2955(15) 0.7636(14) -0.2985(7) 0.144(7) Uani 1 1 d D U . . .
C107 C -0.1721(16) 0.7425(18) -0.3032(11) 0.142(8) Uani 1 1 d D U . . .
H10L H -0.138694 0.755673 -0.287118 0.170 Uiso 1 1 calc R U . . .
H10M H -0.146408 0.729703 -0.321906 0.170 Uiso 1 1 calc R U . . .
C108 C -0.352(2) 0.8109(19) -0.2988(14) 0.141(12) Uani 1 1 d D U . . .
H10N H -0.343381 0.839165 -0.282196 0.212 Uiso 1 1 calc R U . . .
H10O H -0.397879 0.792601 -0.295612 0.212 Uiso 1 1 calc R U . . .
H10P H -0.351823 0.831023 -0.318940 0.212 Uiso 1 1 calc R U . . .
C109 C -0.167(3) 1.309(2) -0.4501(11) 0.112(14) Uani 1 1 d . U . . .
H109 H -0.191316 1.315687 -0.468998 0.135 Uiso 1 1 calc R U . . .
C110 C -0.2757(17) 0.7256(15) -0.2697(6) 0.152(8) Uani 1 1 d D U . . .
C111 C -0.2213(18) 0.6935(13) -0.2907(8) 0.154(8) Uani 1 1 d D U . . .
H111 H -0.195831 0.661560 -0.279581 0.185 Uiso 1 1 calc R U . . .
C112 C -0.236(2) 0.763(2) -0.2464(7) 0.148(13) Uani 1 1 d D U . . .
H11A H -0.267756 0.774788 -0.229491 0.222 Uiso 1 1 calc R U . . .
H11B H -0.219092 0.798712 -0.256877 0.222 Uiso 1 1 calc R U . . .
H11C H -0.197018 0.741366 -0.237949 0.222 Uiso 1 1 calc R U . . .
C113 C -0.320(2) 0.7190(19) -0.3237(9) 0.158(10) Uani 1 1 d D U . . .
H11D H -0.367280 0.703807 -0.319359 0.190 Uiso 1 1 calc R U . . .
H11E H -0.318708 0.736090 -0.344846 0.190 Uiso 1 1 calc R U . . .
C114 C -0.263(2) 0.671(2) -0.3193(10) 0.159(10) Uani 1 1 d D U . . .
H11F H -0.233437 0.668126 -0.337962 0.191 Uiso 1 1 calc R U . . .
H11G H -0.284844 0.632621 -0.315104 0.191 Uiso 1 1 calc R U . . .
C115 C -0.336(3) 0.690(3) -0.2558(15) 0.166(15) Uani 1 1 d D U . . .
H11H H -0.317072 0.656427 -0.244475 0.249 Uiso 1 1 calc R U . . .
H11I H -0.366174 0.676283 -0.272613 0.249 Uiso 1 1 calc R U . . .
H11J H -0.362650 0.714795 -0.241594 0.249 Uiso 1 1 calc R U . . .
C116 C -0.2890(19) 0.9168(18) -0.4798(10) 0.109(5) Uani 1 1 d D U . . .
H116 H -0.288076 0.898455 -0.458738 0.131 Uiso 1 1 calc R U . . .
C117 C -0.6668(14) 0.9285(11) -0.2754(6) 0.141(7) Uani 1 1 d D U . . .
C118 C -0.3623(17) 0.9420(17) -0.4867(8) 0.110(5) Uani 1 1 d D U . . .
H11K H -0.391197 0.944567 -0.467653 0.132 Uiso 1 1 calc R U . . .
H11L H -0.359868 0.980867 -0.496772 0.132 Uiso 1 1 calc R U . . .
C119 C -0.6358(14) 1.0052(17) -0.3140(7) 0.135(8) Uani 1 1 d D U . . .
H11M H -0.643342 1.047385 -0.318070 0.162 Uiso 1 1 calc R U . . .
H11N H -0.629020 0.984561 -0.334013 0.162 Uiso 1 1 calc R U . . .
C120 C -0.2250(17) 0.921(3) -0.2122(9) 0.159(9) Uani 1 1 d D U . . .
H12D H -0.202829 0.886035 -0.221874 0.191 Uiso 1 1 calc R U . . .
H12E H -0.197003 0.955868 -0.216962 0.191 Uiso 1 1 calc R U . . .
C121 C -0.5372(12) 1.0420(13) -0.4566(5) 0.138(7) Uani 1 1 d D U . . .
C122 C -0.2036(17) 0.858(2) -0.5177(10) 0.104(7) Uani 1 1 d D U . . .
H12F H -0.188132 0.890859 -0.530254 0.157 Uiso 1 1 calc R U . . .
H12G H -0.204127 0.822145 -0.530527 0.157 Uiso 1 1 calc R U . . .
H12H H -0.171517 0.852033 -0.500207 0.157 Uiso 1 1 calc R U . . .
C123 C -0.5721(12) 0.9950(18) -0.2912(6) 0.114(6) Uani 1 1 d D U . . .
H123 H -0.554103 1.033945 -0.284368 0.137 Uiso 1 1 calc R U . . .
C124 C -0.2775(15) 0.8695(14) -0.5052(7) 0.108(4) Uani 1 1 d D U . . .
C125 C 0.0408(14) 1.0572(12) -0.2459(7) 0.152(8) Uani 1 1 d D U . . .
C126 C -0.3282(15) 0.8816(12) -0.5322(6) 0.109(5) Uani 1 1 d D U . . .
C127 C -0.3980(18) 0.8354(16) -0.4918(10) 0.109(5) Uani 1 1 d D U . . .
H12I H -0.419972 0.840409 -0.471167 0.130 Uiso 1 1 calc R U . . .
H12J H -0.424383 0.806351 -0.504180 0.130 Uiso 1 1 calc R U . . .
C128 C -0.3887(16) 0.8941(14) -0.5092(7) 0.109(5) Uani 1 1 d D U . . .
H128 H -0.432213 0.906308 -0.520155 0.131 Uiso 1 1 calc R U . . .
C129 C -0.3076(19) 0.9405(16) -0.5474(8) 0.111(7) Uani 1 1 d D U . . .
H12K H -0.343141 0.969956 -0.542728 0.166 Uiso 1 1 calc R U . . .
H12L H -0.303903 0.935412 -0.569929 0.166 Uiso 1 1 calc R U . . .
H12M H -0.262595 0.953347 -0.539065 0.166 Uiso 1 1 calc R U . . .
C130 C 0.104(2) 1.103(2) -0.4129(11) 0.106(13) Uani 1 1 d . U . . .
H130 H 0.095136 1.125976 -0.430972 0.127 Uiso 1 1 calc R U . . .
C131 C -0.467(2) 1.4331(16) -0.3941(9) 0.135(8) Uani 1 1 d D U . . .
H13A H -0.478715 1.429962 -0.371993 0.203 Uiso 1 1 calc R U . . .
H13B H -0.507099 1.447358 -0.405717 0.203 Uiso 1 1 calc R U . . .
H13C H -0.427840 1.460501 -0.396581 0.203 Uiso 1 1 calc R U . . .
C132 C -0.3200(17) 0.8205(17) -0.4895(10) 0.107(5) Uani 1 1 d D U . . .
H13D H -0.306172 0.816742 -0.467463 0.129 Uiso 1 1 calc R U . . .
H13E H -0.310644 0.782703 -0.500022 0.129 Uiso 1 1 calc R U . . .
C133 C -0.350(2) 0.8348(17) -0.5561(9) 0.110(7) Uani 1 1 d D U . . .
H13F H -0.347125 0.851249 -0.577104 0.165 Uiso 1 1 calc R U . . .
H13G H -0.397718 0.822185 -0.551903 0.165 Uiso 1 1 calc R U . . .
H13H H -0.318462 0.801100 -0.554521 0.165 Uiso 1 1 calc R U . . .
C134 C -0.3044(13) 1.1232(11) -0.5115(4) 0.116(6) Uani 1 1 d D U . . .
H134 H -0.324003 1.082684 -0.511738 0.139 Uiso 1 1 calc R U . . .
C135 C -0.3657(13) 1.1692(17) -0.5148(8) 0.133(8) Uani 1 1 d D U . . .
H13I H -0.411602 1.149768 -0.516333 0.159 Uiso 1 1 calc R U . . .
H13J H -0.366187 1.197311 -0.497267 0.159 Uiso 1 1 calc R U . . .
C136 C -0.2597(13) 1.1331(12) -0.5412(5) 0.131(6) Uani 1 1 d D U . . .
C137 C -0.085(3) 1.344(2) -0.4131(13) 0.124(16) Uani 1 1 d . U . . .
H137 H -0.050550 1.372321 -0.408635 0.149 Uiso 1 1 calc R U . . .
C138 C -0.197(2) 1.093(2) -0.5364(11) 0.127(10) Uani 1 1 d D U . . .
H13K H -0.175806 1.101430 -0.515991 0.191 Uiso 1 1 d R U . . .
H13L H -0.211306 1.052399 -0.537301 0.191 Uiso 1 1 d R U . . .
H13M H -0.162156 1.100970 -0.552681 0.191 Uiso 1 1 d R U . . .
C139 C -0.2650(14) 1.1988(12) -0.5483(6) 0.143(7) Uani 1 1 d D U . . .
C141 C -0.245(2) 1.210(2) -0.5824(8) 0.169(14) Uani 1 1 d D U . . .
H14A H -0.243204 1.172032 -0.593479 0.253 Uiso 1 1 calc R U . . .
H14B H -0.199247 1.228394 -0.583371 0.253 Uiso 1 1 calc R U . . .
H14C H -0.279833 1.234880 -0.592209 0.253 Uiso 1 1 calc R U . . .
C142 C -0.232(2) 1.2346(16) -0.5224(10) 0.147(13) Uani 1 1 d D U . . .
H14D H -0.261087 1.231215 -0.503645 0.220 Uiso 1 1 calc R U . . .
H14E H -0.229871 1.275712 -0.528754 0.220 Uiso 1 1 calc R U . . .
H14F H -0.185511 1.219916 -0.518126 0.220 Uiso 1 1 calc R U . . .
C143 C -0.3448(14) 1.1989(12) -0.5455(7) 0.143(7) Uani 1 1 d D U . . .
H143 H -0.367138 1.237792 -0.549216 0.171 Uiso 1 1 calc R U . . .
C144 C -0.6066(12) 0.9641(12) -0.2627(5) 0.127(6) Uani 1 1 d D U . . .
C145 C -0.3720(16) 1.1482(17) -0.5674(10) 0.147(9) Uani 1 1 d D U . . .
H14G H -0.378542 1.162087 -0.588959 0.176 Uiso 1 1 calc R U . . .
H14H H -0.416383 1.131646 -0.559608 0.176 Uiso 1 1 calc R U . . .
C146 C -0.310(2) 1.1021(13) -0.5650(9) 0.132(8) Uani 1 1 d D U . . .
H14I H -0.327104 1.063990 -0.557009 0.159 Uiso 1 1 calc R U . . .
H14J H -0.287689 1.096077 -0.585442 0.159 Uiso 1 1 calc R U . . .
C147 C -0.4624(19) 1.1199(11) -0.2310(7) 0.109(6) Uani 1 1 d D U . . .
H14K H -0.421810 1.109697 -0.218346 0.164 Uiso 1 1 calc R U . . .
H14L H -0.468008 1.091034 -0.247669 0.164 Uiso 1 1 calc R U . . .
H14M H -0.504206 1.120191 -0.217965 0.164 Uiso 1 1 calc R U . . .
C158 C -0.558(3) 0.927(3) -0.2423(13) 0.160(13) Uani 1 1 d D U . . .
H15C H -0.509925 0.931348 -0.249728 0.240 Uiso 1 1 calc R U . . .
H15D H -0.571812 0.885910 -0.243564 0.240 Uiso 1 1 calc R U . . .
H15E H -0.560979 0.940425 -0.220731 0.240 Uiso 1 1 calc R U . . .
C162 C -0.092(2) 1.2961(19) -0.3913(10) 0.100(12) Uani 1 1 d . U . . .
H162 H -0.068645 1.294769 -0.371901 0.120 Uiso 1 1 calc R U . . .
C163 C -0.7160(17) 0.9081(18) -0.2504(9) 0.154(13) Uani 1 1 d D U . . .
H16A H -0.763574 0.919830 -0.255826 0.231 Uiso 1 1 d R U . . .
H16B H -0.702954 0.925980 -0.230516 0.231 Uiso 1 1 d R U . . .
H16C H -0.713774 0.865400 -0.248526 0.231 Uiso 1 1 d R U . . .
C170 C 0.067(2) 0.9518(15) -0.2374(9) 0.150(10) Uani 1 1 d D U . . .
H17A H 0.105242 0.948520 -0.221951 0.179 Uiso 1 1 calc R U . . .
H17B H 0.063562 0.914625 -0.249088 0.179 Uiso 1 1 calc R U . . .
C172 C -0.641(2) 0.8788(13) -0.2958(9) 0.144(12) Uani 1 1 d D U . . .
H17C H -0.591061 0.874131 -0.293220 0.216 Uiso 1 1 calc R U . . .
H17D H -0.651949 0.887716 -0.317567 0.216 Uiso 1 1 calc R U . . .
H17E H -0.665016 0.842507 -0.289774 0.216 Uiso 1 1 calc R U . . .
C185 C 0.063(2) 1.0471(19) -0.3716(10) 0.097(11) Uani 1 1 d . U . . .
H185 H 0.024868 1.032408 -0.360042 0.116 Uiso 1 1 calc R U . . .
C202 C -0.6978(12) 0.9780(13) -0.2948(7) 0.141(7) Uani 1 1 d D U . . .
H202 H -0.739570 0.966866 -0.307401 0.170 Uiso 1 1 calc R U . . .
C295 C -0.510(2) 1.335(2) -0.4133(13) 0.135(8) Uani 1 1 d D U . . .
H29A H -0.496163 1.294610 -0.417497 0.202 Uiso 1 1 calc R U . . .
H29B H -0.534464 1.350918 -0.431515 0.202 Uiso 1 1 calc R U . . .
H29C H -0.541424 1.335990 -0.395314 0.202 Uiso 1 1 calc R U . . .
Cl2 Cl 0.0107(10) 0.4833(8) -0.4258(6) 0.104(6) Uani 0.5 1 d D . P . .
Cl5 Cl 0.0579(18) 0.5475(16) -0.3741(8) 0.161(12) Uani 0.5 1 d D . P . .
C148 C 0.048(3) 0.4774(17) -0.3890(9) 0.081(18) Uani 0.5 1 d D U P . .
H14N H 0.017021 0.454074 -0.375237 0.098 Uiso 0.5 1 calc R U P . .
H14O H 0.093411 0.457577 -0.390324 0.098 Uiso 0.5 1 calc R U P . .


_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 2.7579(17) . ?
Au01 Au03 2.850(2) . ?
Au01 Au04 2.7475(17) . ?
Au01 Au08 3.0484(19) . ?
Au01 Au0C 3.0724(17) . ?
Au01 Au0F 2.9808(19) . ?
Au01 P00R 2.296(8) . ?
Au02 Au03 2.7459(17) . ?
Au02 Au04 2.7813(16) . ?
Au02 Au08 3.1327(18) . ?
Au02 Au0F 3.309(2) . ?
Au02 S00W 2.530(11) . ?
Au02 S00X 2.400(10) . ?
Au03 Au04 2.7283(17) . ?
Au03 Au05 2.7531(17) . ?
Au03 Au07 2.7913(17) . ?
Au03 Au08 2.6665(16) . ?
Au03 Au09 2.6909(18) . ?
Au03 Au0D 2.8178(18) . ?
Au03 Au0G 2.8436(18) . ?
Au04 Au05 3.0858(19) . ?
Au04 Au06 3.3457(17) . ?
Au04 Au07 2.9231(18) . ?
Au04 Au0C 3.064(2) . ?
Au04 Au0F 3.0074(19) . ?
Au04 S00P 2.370(8) . ?
Au05 Au06 2.8822(17) . ?
Au05 Au07 2.675(2) . ?
Au05 Au0A 2.9763(19) . ?
Au05 Au0G 2.7265(18) . ?
Au05 S00Q 2.371(9) . ?
Au06 Au07 3.1619(18) . ?
Au06 S00P 2.320(8) . ?
Au06 S00T 2.317(9) . ?
Au07 Au0G 2.732(2) . ?
Au07 Au0I 2.942(2) . ?
Au07 Au0J 3.302(2) . ?
Au07 S00K 2.352(9) . ?
Au08 Au09 2.866(2) . ?
Au08 Au0D 2.7474(19) . ?
Au08 Au0H 2.912(2) . ?
Au08 P00L 2.299(8) . ?
Au09 Au0A 3.2888(19) . ?
Au09 Au0B 3.132(2) . ?
Au09 Au0D 2.701(2) . ?
Au09 Au0E 2.8736(17) . ?
Au09 Au0G 3.2962(19) . ?
Au09 Au0H 3.173(2) . ?
Au09 S00N 2.378(8) . ?
Au0A S00N 2.298(7) . ?
Au0A S00Q 2.308(7) . ?
Au0B Au0D 2.940(2) . ?
Au0B S00M 2.321(8) . ?
Au0B S00V 2.318(8) . ?
Au0C S00K 2.323(8) . ?
Au0C S00U 2.320(9) . ?
Au0D Au0G 2.8873(19) . ?
Au0D Au0J 3.339(2) . ?
Au0D S00S 2.330(10) . ?
Au0E S00M 2.304(8) . ?
Au0E S00O 2.295(9) . ?
Au0F S00U 2.326(9) . ?
Au0F S00W 2.330(9) . ?
Au0G Au0J 3.078(3) . ?
Au0G S00V 2.351(8) . ?
Au0H S00O 2.312(8) . ?
Au0H S00X 2.353(10) . ?
Au0I S00T 2.308(11) . ?
Au0I S00Y 2.274(13) . ?
Au0J S00S 2.292(10) . ?
Au0J S00Y 2.301(12) . ?
S00K C21 1.80(3) . ?
S00M C49 1.86(4) . ?
S00N C7 1.84(3) . ?
S00O C18 1.87(3) . ?
S00P C39 1.97(4) . ?
S00Q C8 1.74(3) . ?
S00S C23 1.83(3) . ?
S00T C123 1.86(3) . ?
S00U C68 1.80(4) . ?
S00V C104 1.78(4) . ?
S00W C134 1.825(13) . ?
S00X C116 1.87(5) . ?
S00Y C91 1.87(7) . ?
P00L C1 1.782(19) . ?
P00L C15 1.72(4) . ?
P00L C44 1.89(3) . ?
P00R C3 1.838(18) . ?
P00R C9 1.80(4) . ?
P00R C15 1.88(4) . ?
C1 C59 1.3900 . ?
C1 C16 1.3900 . ?
C59 H59 0.9500 . ?
C59 C36 1.3900 . ?
C36 H36 0.9500 . ?
C36 C48 1.3900 . ?
C48 H48 0.9500 . ?
C48 C100 1.3900 . ?
C100 H100 0.9500 . ?
C100 C16 1.3900 . ?
C16 H16 0.9500 . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C2 C4 1.539(13) . ?
C2 C7 1.552(13) . ?
C3 C38 1.3900 . ?
C3 C140 1.3900 . ?
C38 H38 0.9500 . ?
C38 C73 1.3900 . ?
C73 H73 0.9500 . ?
C73 C17 1.3900 . ?
C17 H17 0.9500 . ?
C17 C80 1.3900 . ?
C80 H80 0.9500 . ?
C80 C140 1.3900 . ?
C140 H140 0.9500 . ?
C4 H4 1.0000 . ?
C4 C19 1.545(13) . ?
C4 C28 1.553(13) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C5 C6 1.554(13) . ?
C5 C28 1.549(14) . ?
C6 C7 1.550(13) . ?
C6 C19 1.551(13) . ?
C6 C32 1.544(14) . ?
C7 H7 1.0000 . ?
C8 H8 1.0000 . ?
C8 C33 1.569(13) . ?
C8 C67 1.573(12) . ?
C9 C45 1.53(5) . ?
C9 C162 1.37(6) . ?
C10 C12 1.531(14) . ?
C10 C14 1.516(13) . ?
C10 C18 1.540(14) . ?
C10 C31 1.547(14) . ?
C11 H11 0.9500 . ?
C11 C29 1.33(5) . ?
C11 C185 1.28(5) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13 1.0000 . ?
C13 C14 1.521(13) . ?
C13 C20 1.539(14) . ?
C13 C22 1.546(14) . ?
C14 C43 1.509(12) . ?
C14 C105 1.513(12) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C18 H18 1.0000 . ?
C18 C22 1.538(14) . ?
C19 C42 1.529(13) . ?
C19 C58 1.525(13) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C20 C31 1.539(14) . ?
C21 H21 1.0000 . ?
C21 C34 1.542(14) . ?
C21 C40 1.549(13) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 H23 1.0000 . ?
C23 C24 1.578(12) . ?
C23 C25 1.572(13) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C24 C27 1.574(13) . ?
C25 C30 1.531(13) . ?
C25 C90 1.568(13) . ?
C25 C125 1.519(13) . ?
C26 H26 0.9500 . ?
C26 C29 1.42(6) . ?
C26 C130 1.39(6) . ?
C27 H27 1.0000 . ?
C27 C125 1.522(12) . ?
C27 C170 1.568(12) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 H29 0.9500 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 H32A 0.9798 . ?
C32 H32B 0.9802 . ?
C32 H32C 0.9800 . ?
C33 C35 1.570(13) . ?
C33 C62 1.520(13) . ?
C33 C78 1.540(14) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C34 C63 1.556(14) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C35 C102 1.581(12) . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C37 C40 1.584(12) . ?
C37 C47 1.578(13) . ?
C39 H39 1.0000 . ?
C39 C89 1.566(14) . ?
C39 C121 1.562(13) . ?
C40 C41 1.539(14) . ?
C40 C46 1.546(13) . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C44 C130 1.29(5) . ?
C44 C185 1.39(6) . ?
C45 H45 0.9500 . ?
C45 C109 1.42(6) . ?
C46 C63 1.54(3) . ?
C46 C87 1.524(13) . ?
C46 C147 1.500(12) . ?
C47 H47A 0.9900 . ?
C47 H47B 0.9900 . ?
C47 C63 1.584(12) . ?
C49 H49 1.0000 . ?
C49 C52 1.556(13) . ?
C49 C53 1.543(13) . ?
C50 H50 1.0000 . ?
C50 C62 1.517(13) . ?
C50 C67 1.565(13) . ?
C50 C102 1.562(13) . ?
C51 H51 0.9500 . ?
C51 C109 1.38(6) . ?
C51 C137 1.29(6) . ?
C52 H52A 0.9900 . ?
C52 H52B 0.9900 . ?
C52 C57 1.549(13) . ?
C53 C54 1.557(13) . ?
C53 C61 1.549(13) . ?
C53 C64 1.530(13) . ?
C54 C56 1.535(14) . ?
C54 C57 1.560(13) . ?
C54 C85 1.538(13) . ?
C55 H55A 0.9800 . ?
C55 H55B 0.9800 . ?
C55 H55C 0.9800 . ?
C55 C62 1.509(12) . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C57 H57 1.0000 . ?
C57 C60 1.548(13) . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?
C60 H60A 0.9900 . ?
C60 H60B 0.9900 . ?
C60 C61 1.544(14) . ?
C61 H61A 0.9900 . ?
C61 H61B 0.9900 . ?
C62 C94 1.517(12) . ?
C63 H63 1.0000 . ?
C64 H64A 0.9800 . ?
C64 H64B 0.9800 . ?
C64 H64C 0.9800 . ?
C65 H65A 0.9900 . ?
C65 H65B 0.9900 . ?
C65 C81 1.579(12) . ?
C65 C202 1.573(13) . ?
C66 H66A 0.9800 . ?
C66 H66B 0.9798 . ?
C66 H66C 0.9799 . ?
C66 C125 1.511(12) . ?
C67 H67A 0.9900 . ?
C67 H67B 0.9900 . ?
C68 H68 1.0000 . ?
C68 C69 1.597(12) . ?
C68 C70 1.557(12) . ?
C69 H69A 0.9900 . ?
C69 H69B 0.9900 . ?
C69 C74 1.577(13) . ?
C70 C71 1.536(12) . ?
C70 C72 1.521(12) . ?
C70 C75 1.497(11) . ?
C71 C74 1.559(13) . ?
C71 C131 1.545(13) . ?
C71 C295 1.539(14) . ?
C72 H72A 0.9900 . ?
C72 H72B 0.9900 . ?
C72 C84 1.552(14) . ?
C74 H74 1.0000 . ?
C74 C84 1.558(13) . ?
C75 H75A 0.9800 . ?
C75 H75B 0.9800 . ?
C75 H75C 0.9800 . ?
C76 C77 1.486(11) . ?
C76 C79 1.488(11) . ?
C76 C82 1.549(12) . ?
C76 C121 1.542(12) . ?
C77 H77A 0.9800 . ?
C77 H77B 0.9800 . ?
C77 H77C 0.9800 . ?
C78 H78A 0.9809 . ?
C78 H78B 0.9799 . ?
C78 H78C 0.9801 . ?
C79 H79A 0.9800 . ?
C79 H79B 0.9802 . ?
C79 H79C 0.9800 . ?
C81 H81A 0.9900 . ?
C81 H81B 0.9900 . ?
C81 C144 1.571(13) . ?
C82 H82 1.0000 . ?
C82 C88 1.576(13) . ?
C82 C89 1.556(13) . ?
C83 H83A 0.9798 . ?
C83 H83B 0.9799 . ?
C83 H83C 0.9800 . ?
C83 C121 1.529(14) . ?
C84 H84A 0.9900 . ?
C84 H84B 0.9900 . ?
C85 H85A 0.9800 . ?
C85 H85B 0.9800 . ?
C85 H85C 0.9800 . ?
C86 H86A 0.9900 . ?
C86 H86B 0.9900 . ?
C86 C88 1.546(14) . ?
C86 C121 1.567(13) . ?
C87 H87A 0.9800 . ?
C87 H87B 0.9800 . ?
C87 H87C 0.9800 . ?
C88 H88A 0.9900 . ?
C88 H88B 0.9900 . ?
C89 H89A 0.9900 . ?
C89 H89B 0.9900 . ?
C90 H90A 0.9900 . ?
C90 H90B 0.9900 . ?
C90 C170 1.584(12) . ?
C91 H91 1.0000 . ?
C91 C92 1.572(13) . ?
C91 C120 1.582(12) . ?
C92 C93 1.524(12) . ?
C92 C96 1.532(13) . ?
C92 C97 1.578(13) . ?
C93 C95 1.522(13) . ?
C93 C99 1.503(12) . ?
C93 C103 1.513(12) . ?
C94 H94A 0.9797 . ?
C94 H94B 0.9799 . ?
C94 H94C 0.9798 . ?
C95 H95 1.0000 . ?
C95 C98 1.570(13) . ?
C95 C120 1.575(13) . ?
C96 H96A 0.9800 . ?
C96 H96B 0.9798 . ?
C96 H96C 0.9805 . ?
C97 H97A 0.9900 . ?
C97 H97B 0.9900 . ?
C97 C98 1.580(12) . ?
C98 H98A 0.9900 . ?
C98 H98B 0.9900 . ?
C99 H99A 0.9800 . ?
C99 H99B 0.9800 . ?
C99 H99C 0.9800 . ?
C101 H10A 0.9800 . ?
C101 H10B 0.9800 . ?
C101 H10C 0.9800 . ?
C101 C125 1.514(12) . ?
C102 H10D 0.9900 . ?
C102 H10E 0.9900 . ?
C103 H10F 0.9800 . ?
C103 H10G 0.9800 . ?
C103 H10H 0.9800 . ?
C104 H104 1.0000 . ?
C104 C106 1.553(13) . ?
C104 C107 1.550(14) . ?
C105 H10I 0.9800 . ?
C105 H10J 0.9800 . ?
C105 H10K 0.9800 . ?
C106 C108 1.534(14) . ?
C106 C110 1.561(13) . ?
C106 C113 1.563(13) . ?
C107 H10L 0.9900 . ?
C107 H10M 0.9900 . ?
C107 C111 1.559(13) . ?
C108 H10N 0.9800 . ?
C108 H10O 0.9800 . ?
C108 H10P 0.9800 . ?
C109 H109 0.9500 . ?
C110 C111 1.565(13) . ?
C110 C112 1.522(13) . ?
C110 C115 1.532(14) . ?
C111 H111 1.0000 . ?
C111 C114 1.561(13) . ?
C112 H11A 0.9800 . ?
C112 H11B 0.9800 . ?
C112 H11C 0.9800 . ?
C113 H11D 0.9900 . ?
C113 H11E 0.9900 . ?
C113 C114 1.550(14) . ?
C114 H11F 0.9900 . ?
C114 H11G 0.9900 . ?
C115 H11H 0.9800 . ?
C115 H11I 0.9800 . ?
C115 H11J 0.9800 . ?
C116 H116 1.0000 . ?
C116 C118 1.549(14) . ?
C116 C124 1.550(14) . ?
C117 C144 1.516(13) . ?
C117 C163 1.507(12) . ?
C117 C172 1.514(12) . ?
C117 C202 1.528(12) . ?
C118 H11K 0.9900 . ?
C118 H11L 0.9900 . ?
C118 C128 1.547(14) . ?
C119 H11M 0.9900 . ?
C119 H11N 0.9900 . ?
C119 C123 1.586(12) . ?
C119 C202 1.578(12) . ?
C120 H12D 0.9900 . ?
C120 H12E 0.9900 . ?
C122 H12F 0.9800 . ?
C122 H12G 0.9800 . ?
C122 H12H 0.9800 . ?
C122 C124 1.543(14) . ?
C123 H123 1.0000 . ?
C123 C144 1.563(13) . ?
C124 C126 1.542(14) . ?
C124 C132 1.541(14) . ?
C126 C128 1.554(13) . ?
C126 C129 1.546(13) . ?
C126 C133 1.541(14) . ?
C127 H12I 0.9900 . ?
C127 H12J 0.9900 . ?
C127 C128 1.546(14) . ?
C127 C132 1.541(14) . ?
C128 H128 1.0000 . ?
C129 H12K 0.9800 . ?
C129 H12L 0.9800 . ?
C129 H12M 0.9800 . ?
C130 H130 0.9500 . ?
C131 H13A 0.9800 . ?
C131 H13B 0.9800 . ?
C131 H13C 0.9800 . ?
C132 H13D 0.9900 . ?
C132 H13E 0.9900 . ?
C133 H13F 0.9800 . ?
C133 H13G 0.9800 . ?
C133 H13H 0.9800 . ?
C134 H134 1.0000 . ?
C134 C135 1.584(13) . ?
C134 C136 1.555(14) . ?
C135 H13I 0.9900 . ?
C135 H13J 0.9900 . ?
C135 C143 1.541(13) . ?
C136 C138 1.528(14) . ?
C136 C139 1.538(13) . ?
C136 C146 1.584(13) . ?
C137 H137 0.9500 . ?
C137 C162 1.44(7) . ?
C138 H13K 0.9799 . ?
C138 H13L 0.9801 . ?
C138 H13M 0.9800 . ?
C139 C141 1.536(13) . ?
C139 C142 1.517(13) . ?
C139 C143 1.537(12) . ?
C141 H14A 0.9800 . ?
C141 H14B 0.9800 . ?
C141 H14C 0.9800 . ?
C142 H14D 0.9800 . ?
C142 H14E 0.9800 . ?
C142 H14F 0.9800 . ?
C143 H143 1.0000 . ?
C143 C145 1.579(13) . ?
C144 C158 1.535(14) . ?
C145 H14G 0.9900 . ?
C145 H14H 0.9900 . ?
C145 C146 1.588(12) . ?
C146 H14I 0.9900 . ?
C146 H14J 0.9900 . ?
C147 H14K 0.9800 . ?
C147 H14L 0.9800 . ?
C147 H14M 0.9800 . ?
C158 H15C 0.9800 . ?
C158 H15D 0.9800 . ?
C158 H15E 0.9800 . ?
C162 H162 0.9500 . ?
C163 H16A 0.9798 . ?
C163 H16B 0.9802 . ?
C163 H16C 0.9799 . ?
C170 H17A 0.9900 . ?
C170 H17B 0.9900 . ?
C172 H17C 0.9800 . ?
C172 H17D 0.9800 . ?
C172 H17E 0.9800 . ?
C185 H185 0.9500 . ?
C202 H202 1.0000 . ?
C295 H29A 0.9800 . ?
C295 H29B 0.9800 . ?
C295 H29C 0.9800 . ?
Cl2 C148 1.742(14) . ?
Cl5 C148 1.737(14) . ?
C148 H14N 0.9900 . ?
C148 H14O 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 58.61(5) . . ?
Au02 Au01 Au08 65.08(5) . . ?
Au02 Au01 Au0C 120.93(6) . . ?
Au02 Au01 Au0F 70.30(5) . . ?
Au03 Au01 Au08 53.62(4) . . ?
Au03 Au01 Au0C 104.74(5) . . ?
Au03 Au01 Au0F 115.11(6) . . ?
Au04 Au01 Au02 60.69(4) . . ?
Au04 Au01 Au03 58.30(4) . . ?
Au04 Au01 Au08 107.48(6) . . ?
Au04 Au01 Au0C 63.25(5) . . ?
Au04 Au01 Au0F 63.18(5) . . ?
Au08 Au01 Au0C 152.99(6) . . ?
Au0F Au01 Au08 131.53(6) . . ?
Au0F Au01 Au0C 69.34(5) . . ?
P00R Au01 Au02 139.9(2) . . ?
P00R Au01 Au03 133.0(2) . . ?
P00R Au01 Au04 158.1(2) . . ?
P00R Au01 Au08 91.7(2) . . ?
P00R Au01 Au0C 94.9(2) . . ?
P00R Au01 Au0F 111.8(2) . . ?
Au01 Au02 Au04 59.47(4) . . ?
Au01 Au02 Au08 61.95(4) . . ?
Au01 Au02 Au0F 58.01(4) . . ?
Au03 Au02 Au01 62.38(5) . . ?
Au03 Au02 Au04 59.15(4) . . ?
Au03 Au02 Au08 53.46(4) . . ?
Au03 Au02 Au0F 108.39(5) . . ?
Au04 Au02 Au08 104.37(5) . . ?
Au04 Au02 Au0F 58.42(4) . . ?
Au08 Au02 Au0F 117.17(5) . . ?
S00W Au02 Au01 84.6(2) . . ?
S00W Au02 Au03 146.9(2) . . ?
S00W Au02 Au04 102.5(2) . . ?
S00W Au02 Au08 115.1(2) . . ?
S00W Au02 Au0F 44.6(2) . . ?
S00X Au02 Au01 156.1(3) . . ?
S00X Au02 Au03 114.0(3) . . ?
S00X Au02 Au04 141.6(3) . . ?
S00X Au02 Au08 96.2(3) . . ?
S00X Au02 Au0F 136.5(3) . . ?
S00X Au02 S00W 97.4(4) . . ?
Au02 Au03 Au01 59.02(5) . . ?
Au02 Au03 Au05 109.58(6) . . ?
Au02 Au03 Au07 123.74(6) . . ?
Au02 Au03 Au0D 130.47(6) . . ?
Au02 Au03 Au0G 165.92(7) . . ?
Au04 Au03 Au01 58.97(4) . . ?
Au04 Au03 Au02 61.07(4) . . ?
Au04 Au03 Au05 68.52(5) . . ?
Au04 Au03 Au07 63.94(4) . . ?
Au04 Au03 Au0D 143.18(7) . . ?
Au04 Au03 Au0G 115.39(5) . . ?
Au05 Au03 Au01 124.64(6) . . ?
Au05 Au03 Au07 57.68(5) . . ?
Au05 Au03 Au0D 119.58(6) . . ?
Au05 Au03 Au0G 58.28(4) . . ?
Au07 Au03 Au01 83.38(5) . . ?
Au07 Au03 Au0D 89.36(5) . . ?
Au07 Au03 Au0G 58.01(5) . . ?
Au08 Au03 Au01 66.99(5) . . ?
Au08 Au03 Au02 70.71(5) . . ?
Au08 Au03 Au04 120.20(6) . . ?
Au08 Au03 Au05 167.26(7) . . ?
Au08 Au03 Au07 133.40(7) . . ?
Au08 Au03 Au09 64.67(5) . . ?
Au08 Au03 Au0D 60.05(5) . . ?
Au08 Au03 Au0G 119.33(6) . . ?
Au09 Au03 Au01 131.61(6) . . ?
Au09 Au03 Au02 105.52(6) . . ?
Au09 Au03 Au04 158.11(7) . . ?
Au09 Au03 Au05 103.69(6) . . ?
Au09 Au03 Au07 130.48(6) . . ?
Au09 Au03 Au0D 58.68(5) . . ?
Au09 Au03 Au0G 73.05(5) . . ?
Au0D Au03 Au01 95.00(6) . . ?
Au0D Au03 Au0G 61.32(5) . . ?
Au0G Au03 Au01 132.58(6) . . ?
Au01 Au04 Au02 59.84(4) . . ?
Au01 Au04 Au05 116.45(5) . . ?
Au01 Au04 Au06 140.03(6) . . ?
Au01 Au04 Au07 82.80(5) . . ?
Au01 Au04 Au0C 63.55(5) . . ?
Au01 Au04 Au0F 62.20(5) . . ?
Au02 Au04 Au05 99.83(5) . . ?
Au02 Au04 Au06 149.58(6) . . ?
Au02 Au04 Au07 117.73(5) . . ?
Au02 Au04 Au0C 120.42(6) . . ?
Au02 Au04 Au0F 69.60(5) . . ?
Au03 Au04 Au01 62.73(5) . . ?
Au03 Au04 Au02 59.78(4) . . ?
Au03 Au04 Au05 56.12(4) . . ?
Au03 Au04 Au06 104.63(5) . . ?
Au03 Au04 Au07 59.08(4) . . ?
Au03 Au04 Au0C 108.06(6) . . ?
Au03 Au04 Au0F 118.11(5) . . ?
Au05 Au04 Au06 53.06(4) . . ?
Au07 Au04 Au05 52.78(4) . . ?
Au07 Au04 Au06 60.13(4) . . ?
Au07 Au04 Au0C 70.19(5) . . ?
Au07 Au04 Au0F 134.91(6) . . ?
Au0C Au04 Au05 121.08(5) . . ?
Au0C Au04 Au06 88.46(5) . . ?
Au0F Au04 Au05 168.78(6) . . ?
Au0F Au04 Au06 135.87(5) . . ?
Au0F Au04 Au0C 69.11(5) . . ?
S00P Au04 Au01 145.1(3) . . ?
S00P Au04 Au02 139.8(2) . . ?
S00P Au04 Au03 147.0(2) . . ?
S00P Au04 Au05 91.1(2) . . ?
S00P Au04 Au06 43.9(2) . . ?
S00P Au04 Au07 99.7(2) . . ?
S00P Au04 Au0C 84.4(3) . . ?
S00P Au04 Au0F 94.8(2) . . ?
Au03 Au05 Au04 55.36(4) . . ?
Au03 Au05 Au06 117.63(6) . . ?
Au03 Au05 Au0A 83.07(5) . . ?
Au06 Au05 Au04 68.10(4) . . ?
Au06 Au05 Au0A 153.21(6) . . ?
Au07 Au05 Au03 61.87(5) . . ?
Au07 Au05 Au04 60.49(5) . . ?
Au07 Au05 Au06 69.24(5) . . ?
Au07 Au05 Au0A 137.51(6) . . ?
Au07 Au05 Au0G 60.77(5) . . ?
Au0A Au05 Au04 119.17(5) . . ?
Au0G Au05 Au03 62.52(5) . . ?
Au0G Au05 Au04 108.10(6) . . ?
Au0G Au05 Au06 121.05(6) . . ?
Au0G Au05 Au0A 82.72(5) . . ?
S00Q Au05 Au03 118.1(2) . . ?
S00Q Au05 Au04 110.5(2) . . ?
S00Q Au05 Au06 103.74(18) . . ?
S00Q Au05 Au07 169.9(2) . . ?
S00Q Au05 Au0A 49.58(18) . . ?
S00Q Au05 Au0G 129.0(2) . . ?
Au05 Au06 Au04 58.84(4) . . ?
Au05 Au06 Au07 52.28(4) . . ?
Au07 Au06 Au04 53.29(4) . . ?
S00P Au06 Au04 45.10(19) . . ?
S00P Au06 Au05 97.43(19) . . ?
S00P Au06 Au07 94.4(2) . . ?
S00T Au06 Au04 139.0(2) . . ?
S00T Au06 Au05 85.8(2) . . ?
S00T Au06 Au07 89.7(3) . . ?
S00T Au06 S00P 175.8(3) . . ?
Au03 Au07 Au04 56.98(4) . . ?
Au03 Au07 Au06 108.01(6) . . ?
Au03 Au07 Au0I 134.65(7) . . ?
Au03 Au07 Au0J 99.25(5) . . ?
Au04 Au07 Au06 66.58(4) . . ?
Au04 Au07 Au0I 137.16(6) . . ?
Au04 Au07 Au0J 150.18(6) . . ?
Au05 Au07 Au03 60.44(5) . . ?
Au05 Au07 Au04 66.74(5) . . ?
Au05 Au07 Au06 58.47(4) . . ?
Au05 Au07 Au0G 60.55(5) . . ?
Au05 Au07 Au0I 85.20(6) . . ?
Au05 Au07 Au0J 120.12(7) . . ?
Au06 Au07 Au0J 143.05(6) . . ?
Au0G Au07 Au03 61.96(5) . . ?
Au0G Au07 Au04 112.73(6) . . ?
Au0G Au07 Au06 111.68(6) . . ?
Au0G Au07 Au0I 76.00(6) . . ?
Au0G Au07 Au0J 60.47(5) . . ?
Au0I Au07 Au06 71.28(5) . . ?
Au0I Au07 Au0J 71.83(6) . . ?
S00K Au07 Au03 119.8(2) . . ?
S00K Au07 Au04 98.6(2) . . ?
S00K Au07 Au05 163.0(2) . . ?
S00K Au07 Au06 108.7(2) . . ?
S00K Au07 Au0G 136.1(2) . . ?
S00K Au07 Au0I 101.7(2) . . ?
S00K Au07 Au0J 76.9(2) . . ?
Au01 Au08 Au02 52.98(4) . . ?
Au03 Au08 Au01 59.38(5) . . ?
Au03 Au08 Au02 55.83(4) . . ?
Au03 Au08 Au09 58.08(5) . . ?
Au03 Au08 Au0D 62.71(5) . . ?
Au03 Au08 Au0H 94.72(6) . . ?
Au09 Au08 Au01 117.42(5) . . ?
Au09 Au08 Au02 92.27(5) . . ?
Au09 Au08 Au0H 66.63(5) . . ?
Au0D Au08 Au01 92.13(5) . . ?
Au0D Au08 Au02 118.30(5) . . ?
Au0D Au08 Au09 57.49(5) . . ?
Au0D Au08 Au0H 123.62(7) . . ?
Au0H Au08 Au01 121.13(6) . . ?
Au0H Au08 Au02 68.52(5) . . ?
P00L Au08 Au01 86.8(2) . . ?
P00L Au08 Au02 114.1(3) . . ?
P00L Au08 Au03 144.3(2) . . ?
P00L Au08 Au09 152.3(3) . . ?
P00L Au08 Au0D 111.9(2) . . ?
P00L Au08 Au0H 113.9(2) . . ?
Au03 Au09 Au08 57.25(5) . . ?
Au03 Au09 Au0A 78.27(5) . . ?
Au03 Au09 Au0B 112.73(6) . . ?
Au03 Au09 Au0D 63.01(5) . . ?
Au03 Au09 Au0E 129.37(7) . . ?
Au03 Au09 Au0G 55.61(4) . . ?
Au03 Au09 Au0H 88.50(5) . . ?
Au08 Au09 Au0A 127.68(6) . . ?
Au08 Au09 Au0B 113.12(6) . . ?
Au08 Au09 Au0E 73.58(5) . . ?
Au08 Au09 Au0G 100.83(6) . . ?
Au08 Au09 Au0H 57.38(5) . . ?
Au0A Au09 Au0G 69.91(4) . . ?
Au0B Au09 Au0A 108.35(6) . . ?
Au0B Au09 Au0G 64.53(4) . . ?
Au0B Au09 Au0H 147.80(5) . . ?
Au0D Au09 Au08 59.06(5) . . ?
Au0D Au09 Au0A 125.09(6) . . ?
Au0D Au09 Au0B 59.98(5) . . ?
Au0D Au09 Au0E 82.84(6) . . ?
Au0D Au09 Au0G 56.51(5) . . ?
Au0D Au09 Au0H 116.00(6) . . ?
Au0E Au09 Au0A 150.02(7) . . ?
Au0E Au09 Au0B 74.29(5) . . ?
Au0E Au09 Au0G 132.28(6) . . ?
Au0E Au09 Au0H 73.52(5) . . ?
Au0H Au09 Au0A 99.25(5) . . ?
Au0H Au09 Au0G 143.57(6) . . ?
S00N Au09 Au03 122.43(19) . . ?
S00N Au09 Au08 159.0(2) . . ?
S00N Au09 Au0A 44.32(18) . . ?
S00N Au09 Au0B 86.8(2) . . ?
S00N Au09 Au0D 141.6(2) . . ?
S00N Au09 Au0E 107.69(19) . . ?
S00N Au09 Au0G 93.5(2) . . ?
S00N Au09 Au0H 102.3(2) . . ?
Au05 Au0A Au09 86.05(5) . . ?
S00N Au0A Au05 127.1(2) . . ?
S00N Au0A Au09 46.3(2) . . ?
S00N Au0A S00Q 178.5(3) . . ?
S00Q Au0A Au05 51.4(2) . . ?
S00Q Au0A Au09 132.3(2) . . ?
Au0D Au0B Au09 52.72(5) . . ?
S00M Au0B Au09 87.5(2) . . ?
S00M Au0B Au0D 92.5(2) . . ?
S00V Au0B Au09 97.8(2) . . ?
S00V Au0B Au0D 91.5(2) . . ?
S00V Au0B S00M 174.7(3) . . ?
Au04 Au0C Au01 53.19(4) . . ?
S00K Au0C Au01 89.2(2) . . ?
S00K Au0C Au04 95.4(2) . . ?
S00U Au0C Au01 95.1(2) . . ?
S00U Au0C Au04 85.3(2) . . ?
S00U Au0C S00K 175.1(3) . . ?
Au03 Au0D Au0B 114.92(6) . . ?
Au03 Au0D Au0G 59.78(4) . . ?
Au03 Au0D Au0J 97.84(5) . . ?
Au08 Au0D Au03 57.24(4) . . ?
Au08 Au0D Au0B 123.35(7) . . ?
Au08 Au0D Au0G 115.14(6) . . ?
Au08 Au0D Au0J 142.51(7) . . ?
Au09 Au0D Au03 58.31(5) . . ?
Au09 Au0D Au08 63.45(5) . . ?
Au09 Au0D Au0B 67.30(6) . . ?
Au09 Au0D Au0G 72.20(5) . . ?
Au09 Au0D Au0J 130.61(7) . . ?
Au0B Au0D Au0J 91.46(6) . . ?
Au0G Au0D Au0B 72.23(5) . . ?
Au0G Au0D Au0J 58.72(5) . . ?
S00S Au0D Au03 128.3(2) . . ?
S00S Au0D Au08 128.3(3) . . ?
S00S Au0D Au09 167.9(3) . . ?
S00S Au0D Au0B 101.0(3) . . ?
S00S Au0D Au0G 101.7(2) . . ?
S00S Au0D Au0J 43.3(2) . . ?
S00M Au0E Au09 94.30(19) . . ?
S00O Au0E Au09 95.0(2) . . ?
S00O Au0E S00M 170.7(3) . . ?
Au01 Au0F Au02 51.69(4) . . ?
Au01 Au0F Au04 54.62(4) . . ?
Au04 Au0F Au02 51.98(4) . . ?
S00U Au0F Au01 97.4(2) . . ?
S00U Au0F Au02 136.9(2) . . ?
S00U Au0F Au04 86.5(2) . . ?
S00U Au0F S00W 170.9(4) . . ?
S00W Au0F Au01 83.3(3) . . ?
S00W Au0F Au02 49.7(3) . . ?
S00W Au0F Au04 101.1(3) . . ?
Au03 Au0G Au09 51.34(4) . . ?
Au03 Au0G Au0D 58.90(4) . . ?
Au03 Au0G Au0J 103.54(7) . . ?
Au05 Au0G Au03 59.20(5) . . ?
Au05 Au0G Au07 58.68(5) . . ?
Au05 Au0G Au09 90.09(5) . . ?
Au05 Au0G Au0D 118.08(6) . . ?
Au05 Au0G Au0J 126.63(7) . . ?
Au07 Au0G Au03 60.04(5) . . ?
Au07 Au0G Au09 110.99(6) . . ?
Au07 Au0G Au0D 89.10(6) . . ?
Au07 Au0G Au0J 68.97(6) . . ?
Au0D Au0G Au09 51.29(4) . . ?
Au0D Au0G Au0J 68.00(5) . . ?
Au0J Au0G Au09 119.05(6) . . ?
S00V Au0G Au03 142.7(2) . . ?
S00V Au0G Au05 142.3(3) . . ?
S00V Au0G Au07 150.0(3) . . ?
S00V Au0G Au09 92.8(2) . . ?
S00V Au0G Au0D 92.2(2) . . ?
S00V Au0G Au0J 83.8(3) . . ?
Au08 Au0H Au09 55.99(5) . . ?
S00O Au0H Au08 77.0(2) . . ?
S00O Au0H Au09 87.1(2) . . ?
S00O Au0H S00X 159.1(4) . . ?
S00X Au0H Au08 103.4(3) . . ?
S00X Au0H Au09 110.7(3) . . ?
S00T Au0I Au07 95.5(2) . . ?
S00Y Au0I Au07 92.8(3) . . ?
S00Y Au0I S00T 170.1(4) . . ?
Au07 Au0J Au0D 72.86(4) . . ?
Au0G Au0J Au07 50.57(4) . . ?
Au0G Au0J Au0D 53.29(4) . . ?
S00S Au0J Au07 104.6(3) . . ?
S00S Au0J Au0D 44.2(3) . . ?
S00S Au0J Au0G 97.2(3) . . ?
S00S Au0J S00Y 170.2(5) . . ?
S00Y Au0J Au07 83.5(3) . . ?
S00Y Au0J Au0D 145.4(4) . . ?
S00Y Au0J Au0G 92.1(4) . . ?
Au0C S00K Au07 94.9(3) . . ?
C21 S00K Au07 104.6(8) . . ?
C21 S00K Au0C 107.8(10) . . ?
Au0E S00M Au0B 103.5(3) . . ?
C49 S00M Au0B 103.3(9) . . ?
C49 S00M Au0E 103.6(8) . . ?
Au0A S00N Au09 89.4(3) . . ?
C7 S00N Au09 112.9(8) . . ?
C7 S00N Au0A 108.5(8) . . ?
Au0E S00O Au0H 103.9(3) . . ?
C18 S00O Au0E 105.1(11) . . ?
C18 S00O Au0H 108.8(9) . . ?
Au06 S00P Au04 91.0(3) . . ?
C39 S00P Au04 109.7(9) . . ?
C39 S00P Au06 93.2(9) . . ?
Au0A S00Q Au05 79.0(2) . . ?
C8 S00Q Au05 107.2(10) . . ?
C8 S00Q Au0A 112.3(11) . . ?
Au0J S00S Au0D 92.5(4) . . ?
C23 S00S Au0D 110.0(12) . . ?
C23 S00S Au0J 104.4(12) . . ?
Au0I S00T Au06 100.7(4) . . ?
C123 S00T Au06 97.1(9) . . ?
C123 S00T Au0I 107.4(10) . . ?
Au0C S00U Au0F 95.7(3) . . ?
C68 S00U Au0C 110.9(12) . . ?
C68 S00U Au0F 99.1(11) . . ?
Au0B S00V Au0G 94.7(3) . . ?
C104 S00V Au0B 100.2(13) . . ?
C104 S00V Au0G 106.9(12) . . ?
Au0F S00W Au02 85.7(3) . . ?
C134 S00W Au02 112.0(10) . . ?
C134 S00W Au0F 110.6(8) . . ?
Au0H S00X Au02 91.6(4) . . ?
C116 S00X Au02 105.2(12) . . ?
C116 S00X Au0H 111.0(13) . . ?
Au0I S00Y Au0J 106.9(4) . . ?
C91 S00Y Au0I 105.6(19) . . ?
C91 S00Y Au0J 111.8(12) . . ?
C1 P00L Au08 119.9(8) . . ?
C1 P00L C44 105.2(14) . . ?
C15 P00L Au08 105.9(13) . . ?
C15 P00L C1 108.7(16) . . ?
C15 P00L C44 101.8(17) . . ?
C44 P00L Au08 113.9(12) . . ?
C3 P00R Au01 117.6(9) . . ?
C3 P00R C15 108.2(15) . . ?
C9 P00R Au01 118.5(13) . . ?
C9 P00R C3 100.0(15) . . ?
C9 P00R C15 103.1(18) . . ?
C15 P00R Au01 108.1(13) . . ?
C59 C1 P00L 117.6(12) . . ?
C59 C1 C16 120.0 . . ?
C16 C1 P00L 122.4(12) . . ?
C1 C59 H59 120.0 . . ?
C1 C59 C36 120.0 . . ?
C36 C59 H59 120.0 . . ?
C59 C36 H36 120.0 . . ?
C48 C36 C59 120.0 . . ?
C48 C36 H36 120.0 . . ?
C36 C48 H48 120.0 . . ?
C36 C48 C100 120.0 . . ?
C100 C48 H48 120.0 . . ?
C48 C100 H100 120.0 . . ?
C16 C100 C48 120.0 . . ?
C16 C100 H100 120.0 . . ?
C1 C16 H16 120.0 . . ?
C100 C16 C1 120.0 . . ?
C100 C16 H16 120.0 . . ?
H2A C2 H2B 109.1 . . ?
C4 C2 H2A 111.2 . . ?
C4 C2 H2B 111.2 . . ?
C4 C2 C7 103(2) . . ?
C7 C2 H2A 111.2 . . ?
C7 C2 H2B 111.2 . . ?
C38 C3 P00R 120.1(14) . . ?
C38 C3 C140 120.0 . . ?
C140 C3 P00R 119.9(14) . . ?
C3 C38 H38 120.0 . . ?
C73 C38 C3 120.0 . . ?
C73 C38 H38 120.0 . . ?
C38 C73 H73 120.0 . . ?
C17 C73 C38 120.0 . . ?
C17 C73 H73 120.0 . . ?
C73 C17 H17 120.0 . . ?
C73 C17 C80 120.0 . . ?
C80 C17 H17 120.0 . . ?
C17 C80 H80 120.0 . . ?
C140 C80 C17 120.0 . . ?
C140 C80 H80 120.0 . . ?
C3 C140 H140 120.0 . . ?
C80 C140 C3 120.0 . . ?
C80 C140 H140 120.0 . . ?
C2 C4 H4 113.6 . . ?
C2 C4 C19 99(2) . . ?
C2 C4 C28 109(3) . . ?
C19 C4 H4 113.6 . . ?
C19 C4 C28 106.7(12) . . ?
C28 C4 H4 113.6 . . ?
H5A C5 H5B 109.2 . . ?
C6 C5 H5A 111.3 . . ?
C6 C5 H5B 111.3 . . ?
C28 C5 H5A 111.3 . . ?
C28 C5 H5B 111.3 . . ?
C28 C5 C6 102.1(15) . . ?
C7 C6 C5 105(2) . . ?
C7 C6 C19 103.6(14) . . ?
C19 C6 C5 105.5(11) . . ?
C32 C6 C5 110(2) . . ?
C32 C6 C7 110(2) . . ?
C32 C6 C19 121(3) . . ?
S00N C7 H7 108.5 . . ?
C2 C7 S00N 110.6(19) . . ?
C2 C7 H7 108.5 . . ?
C6 C7 S00N 119.3(19) . . ?
C6 C7 C2 101.0(17) . . ?
C6 C7 H7 108.5 . . ?
S00Q C8 H8 104.7 . . ?
C33 C8 S00Q 121.1(19) . . ?
C33 C8 H8 104.7 . . ?
C33 C8 C67 102.5(8) . . ?
C67 C8 S00Q 117(2) . . ?
C67 C8 H8 104.7 . . ?
C45 C9 P00R 119(3) . . ?
C162 C9 P00R 120(3) . . ?
C162 C9 C45 121(4) . . ?
C12 C10 C18 116(3) . . ?
C12 C10 C31 105(3) . . ?
C14 C10 C12 121(2) . . ?
C14 C10 C18 104(2) . . ?
C14 C10 C31 104(2) . . ?
C18 C10 C31 104(3) . . ?
C29 C11 H11 118.1 . . ?
C185 C11 H11 118.1 . . ?
C185 C11 C29 124(4) . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C14 C13 H13 115.9 . . ?
C14 C13 C20 100(3) . . ?
C14 C13 C22 101(3) . . ?
C20 C13 H13 115.9 . . ?
C20 C13 C22 106(4) . . ?
C22 C13 H13 115.9 . . ?
C10 C14 C13 95(2) . . ?
C43 C14 C10 112.6(12) . . ?
C43 C14 C13 112.3(12) . . ?
C43 C14 C105 112.1(11) . . ?
C105 C14 C10 112.5(12) . . ?
C105 C14 C13 111.7(12) . . ?
P00L C15 P00R 120(2) . . ?
P00L C15 H15A 107.3 . . ?
P00L C15 H15B 107.3 . . ?
P00R C15 H15A 107.3 . . ?
P00R C15 H15B 107.3 . . ?
H15A C15 H15B 106.9 . . ?
S00O C18 H18 108.3 . . ?
C10 C18 S00O 116(2) . . ?
C10 C18 H18 108.3 . . ?
C22 C18 S00O 112(2) . . ?
C22 C18 C10 104(2) . . ?
C22 C18 H18 108.3 . . ?
C4 C19 C6 90.8(14) . . ?
C42 C19 C4 108.7(11) . . ?
C42 C19 C6 108.7(12) . . ?
C58 C19 C4 120(2) . . ?
C58 C19 C6 117(2) . . ?
C58 C19 C42 110.5(12) . . ?
C13 C20 H20A 109.9 . . ?
C13 C20 H20B 109.9 . . ?
H20A C20 H20B 108.3 . . ?
C31 C20 C13 109(3) . . ?
C31 C20 H20A 109.9 . . ?
C31 C20 H20B 109.9 . . ?
S00K C21 H21 103.9 . . ?
C34 C21 S00K 120(2) . . ?
C34 C21 H21 103.9 . . ?
C34 C21 C40 103(2) . . ?
C40 C21 S00K 119.6(19) . . ?
C40 C21 H21 103.9 . . ?
C13 C22 H22A 111.6 . . ?
C13 C22 H22B 111.6 . . ?
C18 C22 C13 101(3) . . ?
C18 C22 H22A 111.6 . . ?
C18 C22 H22B 111.6 . . ?
H22A C22 H22B 109.4 . . ?
S00S C23 H23 104.8 . . ?
C24 C23 S00S 116(2) . . ?
C24 C23 H23 104.8 . . ?
C25 C23 S00S 122(2) . . ?
C25 C23 H23 104.8 . . ?
C25 C23 C24 102.4(8) . . ?
C23 C24 H24A 111.3 . . ?
C23 C24 H24B 111.3 . . ?
H24A C24 H24B 109.2 . . ?
C27 C24 C23 102.5(8) . . ?
C27 C24 H24A 111.3 . . ?
C27 C24 H24B 111.3 . . ?
C30 C25 C23 107.8(12) . . ?
C30 C25 C90 107.5(12) . . ?
C90 C25 C23 105.2(12) . . ?
C125 C25 C23 99.5(15) . . ?
C125 C25 C30 129.0(19) . . ?
C125 C25 C90 105.7(13) . . ?
C29 C26 H26 120.5 . . ?
C130 C26 H26 120.5 . . ?
C130 C26 C29 119(4) . . ?
C24 C27 H27 115.1 . . ?
C125 C27 C24 97.0(15) . . ?
C125 C27 H27 115.1 . . ?
C125 C27 C170 107.4(10) . . ?
C170 C27 C24 105.3(11) . . ?
C170 C27 H27 115.1 . . ?
C4 C28 H28A 111.3 . . ?
C4 C28 H28B 111.3 . . ?
C5 C28 C4 102.2(14) . . ?
C5 C28 H28A 111.3 . . ?
C5 C28 H28B 111.3 . . ?
H28A C28 H28B 109.2 . . ?
C11 C29 C26 117(4) . . ?
C11 C29 H29 121.7 . . ?
C26 C29 H29 121.7 . . ?
C25 C30 H30A 109.5 . . ?
C25 C30 H30B 109.5 . . ?
C25 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C10 C31 H31A 112.4 . . ?
C10 C31 H31B 112.4 . . ?
C20 C31 C10 97(3) . . ?
C20 C31 H31A 112.4 . . ?
C20 C31 H31B 112.4 . . ?
H31A C31 H31B 109.9 . . ?
C6 C32 H32A 109.5 . . ?
C6 C32 H32B 109.5 . . ?
C6 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C8 C33 C35 108(3) . . ?
C62 C33 C8 101.9(12) . . ?
C62 C33 C35 100.8(13) . . ?
C62 C33 C78 118(3) . . ?
C78 C33 C8 118(2) . . ?
C78 C33 C35 108(3) . . ?
C21 C34 H34A 111.0 . . ?
C21 C34 H34B 111.0 . . ?
C21 C34 C63 104(2) . . ?
H34A C34 H34B 109.0 . . ?
C63 C34 H34A 111.0 . . ?
C63 C34 H34B 111.0 . . ?
C33 C35 H35A 111.3 . . ?
C33 C35 H35B 111.3 . . ?
C33 C35 C102 102.5(8) . . ?
H35A C35 H35B 109.2 . . ?
C102 C35 H35A 111.3 . . ?
C102 C35 H35B 111.3 . . ?
H37A C37 H37B 109.2 . . ?
C40 C37 H37A 111.3 . . ?
C40 C37 H37B 111.3 . . ?
C47 C37 H37A 111.3 . . ?
C47 C37 H37B 111.3 . . ?
C47 C37 C40 102.4(8) . . ?
S00P C39 H39 108.8 . . ?
C89 C39 S00P 112(2) . . ?
C89 C39 H39 108.8 . . ?
C121 C39 S00P 115(2) . . ?
C121 C39 H39 108.8 . . ?
C121 C39 C89 102.7(13) . . ?
C21 C40 C37 105.3(11) . . ?
C41 C40 C21 109(3) . . ?
C41 C40 C37 118(3) . . ?
C41 C40 C46 118(2) . . ?
C46 C40 C21 100(2) . . ?
C46 C40 C37 104.6(9) . . ?
C40 C41 H41A 109.5 . . ?
C40 C41 H41B 109.5 . . ?
C40 C41 H41C 109.5 . . ?
H41A C41 H41B 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C19 C42 H42A 109.5 . . ?
C19 C42 H42B 109.5 . . ?
C19 C42 H42C 109.5 . . ?
H42A C42 H42B 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C14 C43 H43A 109.5 . . ?
C14 C43 H43B 109.5 . . ?
C14 C43 H43C 109.5 . . ?
H43A C43 H43B 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C130 C44 P00L 121(3) . . ?
C130 C44 C185 121(4) . . ?
C185 C44 P00L 119(3) . . ?
C9 C45 H45 120.5 . . ?
C109 C45 C9 119(4) . . ?
C109 C45 H45 120.5 . . ?
C63 C46 C40 94.7(12) . . ?
C87 C46 C40 109(3) . . ?
C87 C46 C63 116(2) . . ?
C147 C46 C40 111.9(12) . . ?
C147 C46 C63 111.8(19) . . ?
C147 C46 C87 112.3(12) . . ?
C37 C47 H47A 111.2 . . ?
C37 C47 H47B 111.2 . . ?
C37 C47 C63 102.7(9) . . ?
H47A C47 H47B 109.1 . . ?
C63 C47 H47A 111.2 . . ?
C63 C47 H47B 111.2 . . ?
S00M C49 H49 108.7 . . ?
C52 C49 S00M 115(2) . . ?
C52 C49 H49 108.7 . . ?
C53 C49 S00M 113.4(19) . . ?
C53 C49 H49 108.7 . . ?
C53 C49 C52 102.7(13) . . ?
C62 C50 H50 114.7 . . ?
C62 C50 C67 102.0(15) . . ?
C62 C50 C102 100.8(14) . . ?
C67 C50 H50 114.7 . . ?
C102 C50 H50 114.7 . . ?
C102 C50 C67 108(3) . . ?
C109 C51 H51 117.2 . . ?
C137 C51 H51 117.2 . . ?
C137 C51 C109 126(5) . . ?
C49 C52 H52A 111.7 . . ?
C49 C52 H52B 111.7 . . ?
H52A C52 H52B 109.4 . . ?
C57 C52 C49 100.6(14) . . ?
C57 C52 H52A 111.7 . . ?
C57 C52 H52B 111.7 . . ?
C49 C53 C54 106.7(11) . . ?
C49 C53 C61 103(3) . . ?
C61 C53 C54 106.7(11) . . ?
C64 C53 C49 109.6(11) . . ?
C64 C53 C54 121(2) . . ?
C64 C53 C61 108.8(12) . . ?
C53 C54 C57 88.8(8) . . ?
C56 C54 C53 114(3) . . ?
C56 C54 C57 111(3) . . ?
C56 C54 C85 122(3) . . ?
C85 C54 C53 107.7(12) . . ?
C85 C54 C57 107.7(12) . . ?
H55A C55 H55B 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
C62 C55 H55A 109.5 . . ?
C62 C55 H55B 109.5 . . ?
C62 C55 H55C 109.5 . . ?
C54 C56 H56A 109.5 . . ?
C54 C56 H56B 109.5 . . ?
C54 C56 H56C 109.5 . . ?
H56A C56 H56B 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C52 C57 C54 106.5(11) . . ?
C52 C57 H57 114.2 . . ?
C54 C57 H57 114.2 . . ?
C60 C57 C52 100(3) . . ?
C60 C57 C54 106.6(11) . . ?
C60 C57 H57 114.2 . . ?
C19 C58 H58A 109.5 . . ?
C19 C58 H58B 109.5 . . ?
C19 C58 H58C 109.5 . . ?
H58A C58 H58B 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
C57 C60 H60A 111.0 . . ?
C57 C60 H60B 111.0 . . ?
H60A C60 H60B 109.0 . . ?
C61 C60 C57 104.0(16) . . ?
C61 C60 H60A 111.0 . . ?
C61 C60 H60B 111.0 . . ?
C53 C61 H61A 111.9 . . ?
C53 C61 H61B 111.9 . . ?
C60 C61 C53 99.5(18) . . ?
C60 C61 H61A 111.9 . . ?
C60 C61 H61B 111.9 . . ?
H61A C61 H61B 109.6 . . ?
C50 C62 C33 96.4(9) . . ?
C50 C62 C94 111.6(11) . . ?
C55 C62 C33 112.3(11) . . ?
C55 C62 C50 111.8(11) . . ?
C55 C62 C94 112.2(11) . . ?
C94 C62 C33 111.5(11) . . ?
C34 C63 C47 105.0(11) . . ?
C34 C63 H63 115.1 . . ?
C46 C63 C34 100(2) . . ?
C46 C63 C47 105.3(14) . . ?
C46 C63 H63 115.1 . . ?
C47 C63 H63 115.1 . . ?
C53 C64 H64A 109.5 . . ?
C53 C64 H64B 109.5 . . ?
C53 C64 H64C 109.5 . . ?
H64A C64 H64B 109.5 . . ?
H64A C64 H64C 109.5 . . ?
H64B C64 H64C 109.5 . . ?
H65A C65 H65B 109.2 . . ?
C81 C65 H65A 111.3 . . ?
C81 C65 H65B 111.3 . . ?
C202 C65 H65A 111.3 . . ?
C202 C65 H65B 111.3 . . ?
C202 C65 C81 102.4(8) . . ?
H66A C66 H66B 109.5 . . ?
H66A C66 H66C 109.5 . . ?
H66B C66 H66C 109.5 . . ?
C125 C66 H66A 109.5 . . ?
C125 C66 H66B 109.5 . . ?
C125 C66 H66C 109.5 . . ?
C8 C67 H67A 111.2 . . ?
C8 C67 H67B 111.2 . . ?
C50 C67 C8 103.0(8) . . ?
C50 C67 H67A 111.2 . . ?
C50 C67 H67B 111.2 . . ?
H67A C67 H67B 109.1 . . ?
S00U C68 H68 106.0 . . ?
C69 C68 S00U 112(3) . . ?
C69 C68 H68 106.0 . . ?
C70 C68 S00U 124(2) . . ?
C70 C68 H68 106.0 . . ?
C70 C68 C69 101.4(8) . . ?
C68 C69 H69A 111.5 . . ?
C68 C69 H69B 111.5 . . ?
H69A C69 H69B 109.4 . . ?
C74 C69 C68 101.1(8) . . ?
C74 C69 H69A 111.5 . . ?
C74 C69 H69B 111.5 . . ?
C71 C70 C68 100.9(16) . . ?
C72 C70 C68 108.7(11) . . ?
C72 C70 C71 109.7(11) . . ?
C75 C70 C68 110.7(11) . . ?
C75 C70 C71 112.4(11) . . ?
C75 C70 C72 113.7(10) . . ?
C70 C71 C74 91.1(8) . . ?
C70 C71 C131 108.3(12) . . ?
C70 C71 C295 122(3) . . ?
C131 C71 C74 107.2(12) . . ?
C295 C71 C74 115(3) . . ?
C295 C71 C131 110(3) . . ?
C70 C72 H72A 111.8 . . ?
C70 C72 H72B 111.8 . . ?
C70 C72 C84 99.9(13) . . ?
H72A C72 H72B 109.5 . . ?
C84 C72 H72A 111.8 . . ?
C84 C72 H72B 111.8 . . ?
C69 C74 H74 114.8 . . ?
C71 C74 C69 99.5(16) . . ?
C71 C74 H74 114.8 . . ?
C84 C74 C69 105.7(12) . . ?
C84 C74 C71 105.8(11) . . ?
C84 C74 H74 114.8 . . ?
C70 C75 H75A 109.5 . . ?
C70 C75 H75B 109.5 . . ?
C70 C75 H75C 109.5 . . ?
H75A C75 H75B 109.5 . . ?
H75A C75 H75C 109.5 . . ?
H75B C75 H75C 109.5 . . ?
C77 C76 C79 116.3(10) . . ?
C77 C76 C82 112.6(11) . . ?
C77 C76 C121 112.0(11) . . ?
C79 C76 C82 111.1(11) . . ?
C79 C76 C121 112.6(11) . . ?
C121 C76 C82 89.2(7) . . ?
C76 C77 H77A 109.5 . . ?
C76 C77 H77B 109.5 . . ?
C76 C77 H77C 109.5 . . ?
H77A C77 H77B 109.5 . . ?
H77A C77 H77C 109.5 . . ?
H77B C77 H77C 109.5 . . ?
C33 C78 H78A 109.6 . . ?
C33 C78 H78B 109.5 . . ?
C33 C78 H78C 109.3 . . ?
H78A C78 H78B 109.5 . . ?
H78A C78 H78C 109.5 . . ?
H78B C78 H78C 109.5 . . ?
C76 C79 H79A 109.5 . . ?
C76 C79 H79B 109.5 . . ?
C76 C79 H79C 109.5 . . ?
H79A C79 H79B 109.5 . . ?
H79A C79 H79C 109.5 . . ?
H79B C79 H79C 109.5 . . ?
C65 C81 H81A 111.3 . . ?
C65 C81 H81B 111.3 . . ?
H81A C81 H81B 109.2 . . ?
C144 C81 C65 102.4(8) . . ?
C144 C81 H81A 111.3 . . ?
C144 C81 H81B 111.3 . . ?
C76 C82 H82 113.3 . . ?
C76 C82 C88 104.8(11) . . ?
C76 C82 C89 106.3(11) . . ?
C88 C82 H82 113.3 . . ?
C89 C82 H82 113.3 . . ?
C89 C82 C88 105.1(11) . . ?
H83A C83 H83B 109.5 . . ?
H83A C83 H83C 109.5 . . ?
H83B C83 H83C 109.5 . . ?
C121 C83 H83A 109.5 . . ?
C121 C83 H83B 109.3 . . ?
C121 C83 H83C 109.5 . . ?
C72 C84 C74 104.6(12) . . ?
C72 C84 H84A 110.8 . . ?
C72 C84 H84B 110.8 . . ?
C74 C84 H84A 110.8 . . ?
C74 C84 H84B 110.8 . . ?
H84A C84 H84B 108.9 . . ?
C54 C85 H85A 109.5 . . ?
C54 C85 H85B 109.5 . . ?
C54 C85 H85C 109.5 . . ?
H85A C85 H85B 109.5 . . ?
H85A C85 H85C 109.5 . . ?
H85B C85 H85C 109.5 . . ?
H86A C86 H86B 109.6 . . ?
C88 C86 H86A 111.9 . . ?
C88 C86 H86B 111.9 . . ?
C88 C86 C121 99.5(14) . . ?
C121 C86 H86A 111.9 . . ?
C121 C86 H86B 111.9 . . ?
C46 C87 H87A 109.5 . . ?
C46 C87 H87B 109.5 . . ?
C46 C87 H87C 109.5 . . ?
H87A C87 H87B 109.5 . . ?
H87A C87 H87C 109.5 . . ?
H87B C87 H87C 109.5 . . ?
C82 C88 H88A 111.1 . . ?
C82 C88 H88B 111.1 . . ?
C86 C88 C82 103.3(14) . . ?
C86 C88 H88A 111.1 . . ?
C86 C88 H88B 111.1 . . ?
H88A C88 H88B 109.1 . . ?
C39 C89 H89A 111.9 . . ?
C39 C89 H89B 111.9 . . ?
C82 C89 C39 99.5(14) . . ?
C82 C89 H89A 111.9 . . ?
C82 C89 H89B 111.9 . . ?
H89A C89 H89B 109.6 . . ?
C25 C90 H90A 111.3 . . ?
C25 C90 H90B 111.3 . . ?
C25 C90 C170 102.4(8) . . ?
H90A C90 H90B 109.2 . . ?
C170 C90 H90A 111.3 . . ?
C170 C90 H90B 111.3 . . ?
S00Y C91 H91 108.6 . . ?
C92 C91 S00Y 117(4) . . ?
C92 C91 H91 108.6 . . ?
C92 C91 C120 102.1(8) . . ?
C120 C91 S00Y 111(4) . . ?
C120 C91 H91 108.6 . . ?
C91 C92 C97 97(4) . . ?
C93 C92 C91 105(2) . . ?
C93 C92 C96 128.7(19) . . ?
C93 C92 C97 106.3(11) . . ?
C96 C92 C91 107.8(12) . . ?
C96 C92 C97 107.7(12) . . ?
C95 C93 C92 95.2(9) . . ?
C99 C93 C92 112.3(12) . . ?
C99 C93 C95 112.5(11) . . ?
C99 C93 C103 112.6(11) . . ?
C103 C93 C92 111.2(11) . . ?
C103 C93 C95 111.9(12) . . ?
C62 C94 H94A 109.5 . . ?
C62 C94 H94B 109.4 . . ?
C62 C94 H94C 109.5 . . ?
H94A C94 H94B 109.5 . . ?
H94A C94 H94C 109.5 . . ?
H94B C94 H94C 109.5 . . ?
C93 C95 H95 115.5 . . ?
C93 C95 C98 105.9(19) . . ?
C93 C95 C120 104(2) . . ?
C98 C95 H95 115.5 . . ?
C98 C95 C120 99(4) . . ?
C120 C95 H95 115.5 . . ?
C92 C96 H96A 109.4 . . ?
C92 C96 H96B 109.3 . . ?
C92 C96 H96C 109.7 . . ?
H96A C96 H96B 109.5 . . ?
H96A C96 H96C 109.5 . . ?
H96B C96 H96C 109.5 . . ?
C92 C97 H97A 111.4 . . ?
C92 C97 H97B 111.4 . . ?
C92 C97 C98 101.8(8) . . ?
H97A C97 H97B 109.3 . . ?
C98 C97 H97A 111.4 . . ?
C98 C97 H97B 111.4 . . ?
C95 C98 C97 102.8(8) . . ?
C95 C98 H98A 111.2 . . ?
C95 C98 H98B 111.2 . . ?
C97 C98 H98A 111.2 . . ?
C97 C98 H98B 111.2 . . ?
H98A C98 H98B 109.1 . . ?
C93 C99 H99A 109.5 . . ?
C93 C99 H99B 109.5 . . ?
C93 C99 H99C 109.5 . . ?
H99A C99 H99B 109.5 . . ?
H99A C99 H99C 109.5 . . ?
H99B C99 H99C 109.5 . . ?
H10A C101 H10B 109.5 . . ?
H10A C101 H10C 109.5 . . ?
H10B C101 H10C 109.5 . . ?
C125 C101 H10A 109.5 . . ?
C125 C101 H10B 109.5 . . ?
C125 C101 H10C 109.5 . . ?
C35 C102 H10D 111.2 . . ?
C35 C102 H10E 111.2 . . ?
C50 C102 C35 102.8(8) . . ?
C50 C102 H10D 111.2 . . ?
C50 C102 H10E 111.2 . . ?
H10D C102 H10E 109.1 . . ?
C93 C103 H10F 109.5 . . ?
C93 C103 H10G 109.5 . . ?
C93 C103 H10H 109.5 . . ?
H10F C103 H10G 109.5 . . ?
H10F C103 H10H 109.5 . . ?
H10G C103 H10H 109.5 . . ?
S00V C104 H104 107.5 . . ?
C106 C104 S00V 119(3) . . ?
C106 C104 H104 107.5 . . ?
C107 C104 S00V 112(3) . . ?
C107 C104 H104 107.5 . . ?
C107 C104 C106 102.9(14) . . ?
C14 C105 H10I 109.5 . . ?
C14 C105 H10J 109.5 . . ?
C14 C105 H10K 109.5 . . ?
H10I C105 H10J 109.5 . . ?
H10I C105 H10K 109.5 . . ?
H10J C105 H10K 109.5 . . ?
C104 C106 C110 106.5(11) . . ?
C104 C106 C113 106.0(12) . . ?
C108 C106 C104 109(3) . . ?
C108 C106 C110 125(3) . . ?
C108 C106 C113 104(3) . . ?
C110 C106 C113 105.2(11) . . ?
C104 C107 H10L 111.8 . . ?
C104 C107 H10M 111.8 . . ?
C104 C107 C111 100.0(15) . . ?
H10L C107 H10M 109.5 . . ?
C111 C107 H10L 111.8 . . ?
C111 C107 H10M 111.8 . . ?
C106 C108 H10N 109.5 . . ?
C106 C108 H10O 109.5 . . ?
C106 C108 H10P 109.5 . . ?
H10N C108 H10O 109.5 . . ?
H10N C108 H10P 109.5 . . ?
H10O C108 H10P 109.5 . . ?
C45 C109 H109 122.5 . . ?
C51 C109 C45 115(5) . . ?
C51 C109 H109 122.5 . . ?
C106 C110 C111 88.0(7) . . ?
C112 C110 C106 109.1(12) . . ?
C112 C110 C111 108.4(12) . . ?
C112 C110 C115 115(3) . . ?
C115 C110 C106 115(3) . . ?
C115 C110 C111 119(4) . . ?
C107 C111 C110 105.4(11) . . ?
C107 C111 H111 113.1 . . ?
C107 C111 C114 106.0(12) . . ?
C110 C111 H111 113.1 . . ?
C114 C111 C110 105.3(11) . . ?
C114 C111 H111 113.1 . . ?
C110 C112 H11A 109.5 . . ?
C110 C112 H11B 109.5 . . ?
C110 C112 H11C 109.5 . . ?
H11A C112 H11B 109.5 . . ?
H11A C112 H11C 109.5 . . ?
H11B C112 H11C 109.5 . . ?
C106 C113 H11D 111.9 . . ?
C106 C113 H11E 111.9 . . ?
H11D C113 H11E 109.6 . . ?
C114 C113 C106 99.5(16) . . ?
C114 C113 H11D 111.9 . . ?
C114 C113 H11E 111.9 . . ?
C111 C114 H11F 111.1 . . ?
C111 C114 H11G 111.1 . . ?
C113 C114 C111 103.3(14) . . ?
C113 C114 H11F 111.1 . . ?
C113 C114 H11G 111.1 . . ?
H11F C114 H11G 109.1 . . ?
C110 C115 H11H 109.5 . . ?
C110 C115 H11I 109.5 . . ?
C110 C115 H11J 109.5 . . ?
H11H C115 H11I 109.5 . . ?
H11H C115 H11J 109.5 . . ?
H11I C115 H11J 109.5 . . ?
S00X C116 H116 110.1 . . ?
C118 C116 S00X 109(3) . . ?
C118 C116 H116 110.1 . . ?
C118 C116 C124 105(3) . . ?
C124 C116 S00X 112(3) . . ?
C124 C116 H116 110.1 . . ?
C144 C117 C202 95.5(8) . . ?
C163 C117 C144 112.8(11) . . ?
C163 C117 C172 112.6(11) . . ?
C163 C117 C202 112.0(11) . . ?
C172 C117 C144 111.6(11) . . ?
C172 C117 C202 111.3(11) . . ?
C116 C118 H11K 112.0 . . ?
C116 C118 H11L 112.0 . . ?
H11K C118 H11L 109.7 . . ?
C128 C118 C116 99(2) . . ?
C128 C118 H11K 112.0 . . ?
C128 C118 H11L 112.0 . . ?
H11M C119 H11N 109.3 . . ?
C123 C119 H11M 111.5 . . ?
C123 C119 H11N 111.5 . . ?
C202 C119 H11M 111.5 . . ?
C202 C119 H11N 111.5 . . ?
C202 C119 C123 101.5(7) . . ?
C91 C120 H12D 111.3 . . ?
C91 C120 H12E 111.3 . . ?
C95 C120 C91 102.3(8) . . ?
C95 C120 H12D 111.3 . . ?
C95 C120 H12E 111.3 . . ?
H12D C120 H12E 109.2 . . ?
C39 C121 C86 106.1(11) . . ?
C76 C121 C39 105.7(11) . . ?
C76 C121 C86 105.6(11) . . ?
C83 C121 C39 108(3) . . ?
C83 C121 C76 116(3) . . ?
C83 C121 C86 115(3) . . ?
H12F C122 H12G 109.5 . . ?
H12F C122 H12H 109.5 . . ?
H12G C122 H12H 109.5 . . ?
C124 C122 H12F 109.5 . . ?
C124 C122 H12G 109.5 . . ?
C124 C122 H12H 109.5 . . ?
S00T C123 H123 108.5 . . ?
C119 C123 S00T 113(2) . . ?
C119 C123 H123 108.5 . . ?
C144 C123 S00T 116(2) . . ?
C144 C123 C119 103.0(8) . . ?
C144 C123 H123 108.5 . . ?
C122 C124 C116 120(3) . . ?
C126 C124 C116 108(3) . . ?
C126 C124 C122 110(3) . . ?
C132 C124 C116 97(3) . . ?
C132 C124 C122 121(3) . . ?
C132 C124 C126 97(3) . . ?
C25 C125 C27 96.0(8) . . ?
C66 C125 C25 112.4(11) . . ?
C66 C125 C27 111.4(11) . . ?
C66 C125 C101 112.7(11) . . ?
C101 C125 C25 111.6(11) . . ?
C101 C125 C27 111.7(11) . . ?
C124 C126 C128 91(2) . . ?
C124 C126 C129 108.2(12) . . ?
C129 C126 C128 107.5(12) . . ?
C133 C126 C124 123(3) . . ?
C133 C126 C128 111(3) . . ?
C133 C126 C129 113(3) . . ?
H12I C127 H12J 110.0 . . ?
C128 C127 H12I 112.5 . . ?
C128 C127 H12J 112.5 . . ?
C132 C127 H12I 112.5 . . ?
C132 C127 H12J 112.5 . . ?
C132 C127 C128 96(3) . . ?
C118 C128 C126 106.6(12) . . ?
C118 C128 H128 111.9 . . ?
C126 C128 H128 111.9 . . ?
C127 C128 C118 111(3) . . ?
C127 C128 C126 104(3) . . ?
C127 C128 H128 111.9 . . ?
C126 C129 H12K 109.5 . . ?
C126 C129 H12L 109.5 . . ?
C126 C129 H12M 109.5 . . ?
H12K C129 H12L 109.5 . . ?
H12K C129 H12M 109.5 . . ?
H12L C129 H12M 109.5 . . ?
C26 C130 H130 120.0 . . ?
C44 C130 C26 120(5) . . ?
C44 C130 H130 120.0 . . ?
C71 C131 H13A 109.5 . . ?
C71 C131 H13B 109.5 . . ?
C71 C131 H13C 109.5 . . ?
H13A C131 H13B 109.5 . . ?
H13A C131 H13C 109.5 . . ?
H13B C131 H13C 109.5 . . ?
C124 C132 C127 109(3) . . ?
C124 C132 H13D 109.9 . . ?
C124 C132 H13E 109.9 . . ?
C127 C132 H13D 109.9 . . ?
C127 C132 H13E 109.9 . . ?
H13D C132 H13E 108.3 . . ?
C126 C133 H13F 109.5 . . ?
C126 C133 H13G 109.5 . . ?
C126 C133 H13H 109.5 . . ?
H13F C133 H13G 109.5 . . ?
H13F C133 H13H 109.5 . . ?
H13G C133 H13H 109.5 . . ?
S00W C134 H134 109.5 . . ?
C135 C134 S00W 109.7(16) . . ?
C135 C134 H134 109.5 . . ?
C136 C134 S00W 114.7(17) . . ?
C136 C134 H134 109.5 . . ?
C136 C134 C135 103.9(11) . . ?
C134 C135 H13I 111.7 . . ?
C134 C135 H13J 111.7 . . ?
H13I C135 H13J 109.5 . . ?
C143 C135 C134 100.1(10) . . ?
C143 C135 H13I 111.7 . . ?
C143 C135 H13J 111.7 . . ?
C134 C136 C146 97(2) . . ?
C138 C136 C134 104(2) . . ?
C138 C136 C139 131(3) . . ?
C138 C136 C146 108(3) . . ?
C139 C136 C134 105.7(13) . . ?
C139 C136 C146 105.4(10) . . ?
C51 C137 H137 117.5 . . ?
C51 C137 C162 125(5) . . ?
C162 C137 H137 117.5 . . ?
C136 C138 H13K 109.5 . . ?
C136 C138 H13L 109.5 . . ?
C136 C138 H13M 109.5 . . ?
H13K C138 H13L 109.5 . . ?
H13K C138 H13M 109.5 . . ?
H13L C138 H13M 109.5 . . ?
C141 C139 C136 109.3(12) . . ?
C141 C139 C143 108.9(12) . . ?
C142 C139 C136 110.6(13) . . ?
C142 C139 C141 121(2) . . ?
C142 C139 C143 110.6(12) . . ?
C143 C139 C136 92.9(8) . . ?
C139 C141 H14A 109.5 . . ?
C139 C141 H14B 109.5 . . ?
C139 C141 H14C 109.5 . . ?
H14A C141 H14B 109.5 . . ?
H14A C141 H14C 109.5 . . ?
H14B C141 H14C 109.5 . . ?
C139 C142 H14D 109.5 . . ?
C139 C142 H14E 109.5 . . ?
C139 C142 H14F 109.5 . . ?
H14D C142 H14E 109.5 . . ?
H14D C142 H14F 109.5 . . ?
H14E C142 H14F 109.5 . . ?
C135 C143 H143 114.6 . . ?
C135 C143 C145 96(3) . . ?
C139 C143 C135 109.0(11) . . ?
C139 C143 H143 114.6 . . ?
C139 C143 C145 106.4(10) . . ?
C145 C143 H143 114.6 . . ?
C117 C144 C81 99.0(15) . . ?
C117 C144 C123 106.4(13) . . ?
C117 C144 C158 112(3) . . ?
C123 C144 C81 105.8(12) . . ?
C158 C144 C81 116(3) . . ?
C158 C144 C123 116(3) . . ?
C143 C145 H14G 111.4 . . ?
C143 C145 H14H 111.4 . . ?
C143 C145 C146 101.7(7) . . ?
H14G C145 H14H 109.3 . . ?
C146 C145 H14G 111.4 . . ?
C146 C145 H14H 111.4 . . ?
C136 C146 C145 101.6(8) . . ?
C136 C146 H14I 111.4 . . ?
C136 C146 H14J 111.4 . . ?
C145 C146 H14I 111.4 . . ?
C145 C146 H14J 111.4 . . ?
H14I C146 H14J 109.3 . . ?
C46 C147 H14K 109.5 . . ?
C46 C147 H14L 109.5 . . ?
C46 C147 H14M 109.5 . . ?
H14K C147 H14L 109.5 . . ?
H14K C147 H14M 109.5 . . ?
H14L C147 H14M 109.5 . . ?
C144 C158 H15C 109.5 . . ?
C144 C158 H15D 109.5 . . ?
C144 C158 H15E 109.5 . . ?
H15C C158 H15D 109.5 . . ?
H15C C158 H15E 109.5 . . ?
H15D C158 H15E 109.5 . . ?
C9 C162 C137 114(4) . . ?
C9 C162 H162 123.1 . . ?
C137 C162 H162 123.1 . . ?
C117 C163 H16A 109.2 . . ?
C117 C163 H16B 109.4 . . ?
C117 C163 H16C 109.7 . . ?
H16A C163 H16B 109.5 . . ?
H16A C163 H16C 109.5 . . ?
H16B C163 H16C 109.5 . . ?
C27 C170 C90 102.4(7) . . ?
C27 C170 H17A 111.3 . . ?
C27 C170 H17B 111.3 . . ?
C90 C170 H17A 111.3 . . ?
C90 C170 H17B 111.3 . . ?
H17A C170 H17B 109.2 . . ?
C117 C172 H17C 109.5 . . ?
C117 C172 H17D 109.5 . . ?
C117 C172 H17E 109.5 . . ?
H17C C172 H17D 109.5 . . ?
H17C C172 H17E 109.5 . . ?
H17D C172 H17E 109.5 . . ?
C11 C185 C44 120(4) . . ?
C11 C185 H185 120.0 . . ?
C44 C185 H185 120.0 . . ?
C65 C202 C119 104.4(11) . . ?
C65 C202 H202 114.9 . . ?
C117 C202 C65 99.5(14) . . ?
C117 C202 C119 106.5(9) . . ?
C117 C202 H202 114.9 . . ?
C119 C202 H202 114.9 . . ?
C71 C295 H29A 109.5 . . ?
C71 C295 H29B 109.5 . . ?
C71 C295 H29C 109.5 . . ?
H29A C295 H29B 109.5 . . ?
H29A C295 H29C 109.5 . . ?
H29B C295 H29C 109.5 . . ?
Cl2 C148 H14N 110.1 . . ?
Cl2 C148 H14O 110.1 . . ?
Cl5 C148 Cl2 108(2) . . ?
Cl5 C148 H14N 110.1 . . ?
Cl5 C148 H14O 110.1 . . ?
H14N C148 H14O 108.4 . . ?

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
Au01 P00R C3 C38 -91.5(15) . . . . ?
Au01 P00R C3 C140 88.9(15) . . . . ?
Au01 P00R C9 C45 -6(4) . . . . ?
Au01 P00R C9 C162 176(3) . . . . ?
Au01 P00R C15 P00L 38(3) . . . . ?
Au02 S00W C134 C135 124.5(16) . . . . ?
Au02 S00W C134 C136 -119.1(14) . . . . ?
Au02 S00X C116 C118 63(2) . . . . ?
Au02 S00X C116 C124 179(2) . . . . ?
Au05 S00Q C8 C33 -161.9(18) . . . . ?
Au05 S00Q C8 C67 71(2) . . . . ?
Au06 S00T C123 C119 55(2) . . . . ?
Au06 S00T C123 C144 172.6(16) . . . . ?
Au07 S00K C21 C34 -66.1(18) . . . . ?
Au07 S00K C21 C40 164.4(16) . . . . ?
Au08 P00L C1 C59 -30.6(16) . . . . ?
Au08 P00L C1 C16 150.9(12) . . . . ?
Au08 P00L C15 P00R -62(2) . . . . ?
Au08 P00L C44 C130 138(3) . . . . ?
Au08 P00L C44 C185 -39(3) . . . . ?
Au09 S00N C7 C2 55(2) . . . . ?
Au09 S00N C7 C6 171.7(14) . . . . ?
Au0A S00N C7 C2 152.7(17) . . . . ?
Au0A S00N C7 C6 -90.9(17) . . . . ?
Au0A S00Q C8 C33 -77(2) . . . . ?
Au0A S00Q C8 C67 156(2) . . . . ?
Au0B S00M C49 C52 145.7(13) . . . . ?
Au0B S00M C49 C53 -96.8(14) . . . . ?
Au0B S00V C104 C106 177.4(19) . . . . ?
Au0B S00V C104 C107 58(2) . . . . ?
Au0C S00K C21 C34 34.0(19) . . . . ?
Au0C S00K C21 C40 -95.4(19) . . . . ?
Au0C S00U C68 C69 159(2) . . . . ?
Au0C S00U C68 C70 -79(3) . . . . ?
Au0D S00S C23 C24 60(3) . . . . ?
Au0D S00S C23 C25 -174(2) . . . . ?
Au0E S00M C49 C52 38.0(15) . . . . ?
Au0E S00M C49 C53 155.4(13) . . . . ?
Au0E S00O C18 C10 -94(2) . . . . ?
Au0E S00O C18 C22 147(2) . . . . ?
Au0F S00U C68 C69 59(3) . . . . ?
Au0F S00U C68 C70 -179(2) . . . . ?
Au0F S00W C134 C135 31(2) . . . . ?
Au0F S00W C134 C136 147.1(13) . . . . ?
Au0G S00V C104 C106 -84(2) . . . . ?
Au0G S00V C104 C107 155.8(19) . . . . ?
Au0H S00O C18 C10 155.3(18) . . . . ?
Au0H S00O C18 C22 36(3) . . . . ?
Au0H S00X C116 C118 161(2) . . . . ?
Au0H S00X C116 C124 -84(3) . . . . ?
Au0I S00T C123 C119 158.3(18) . . . . ?
Au0I S00T C123 C144 -83.8(18) . . . . ?
Au0I S00Y C91 C92 -95(3) . . . . ?
Au0I S00Y C91 C120 149(3) . . . . ?
Au0J S00S C23 C24 158(2) . . . . ?
Au0J S00S C23 C25 -76(3) . . . . ?
Au0J S00Y C91 C92 150(2) . . . . ?
Au0J S00Y C91 C120 33(4) . . . . ?
S00K C21 C34 C63 -134.9(18) . . . . ?
S00K C21 C40 C37 63(2) . . . . ?
S00K C21 C40 C41 -65(3) . . . . ?
S00K C21 C40 C46 171.2(17) . . . . ?
S00M C49 C52 C57 126(2) . . . . ?
S00M C49 C53 C54 -90.3(19) . . . . ?
S00M C49 C53 C61 157.8(16) . . . . ?
S00M C49 C53 C64 42(2) . . . . ?
S00O C18 C22 C13 137(3) . . . . ?
S00P C39 C89 C82 127.7(18) . . . . ?
S00P C39 C121 C76 -88.4(18) . . . . ?
S00P C39 C121 C83 36(3) . . . . ?
S00P C39 C121 C86 159.7(18) . . . . ?
S00Q C8 C33 C35 155.4(19) . . . . ?
S00Q C8 C33 C62 -99(2) . . . . ?
S00Q C8 C33 C78 32(4) . . . . ?
S00Q C8 C67 C50 135(2) . . . . ?
S00S C23 C24 C27 141(2) . . . . ?
S00S C23 C25 C30 37(3) . . . . ?
S00S C23 C25 C90 151(3) . . . . ?
S00S C23 C25 C125 -100(2) . . . . ?
S00T C123 C144 C81 164(2) . . . . ?
S00T C123 C144 C117 -91.5(17) . . . . ?
S00T C123 C144 C158 34(4) . . . . ?
S00U C68 C69 C74 135(2) . . . . ?
S00U C68 C70 C71 -87(3) . . . . ?
S00U C68 C70 C72 157(2) . . . . ?
S00U C68 C70 C75 32(3) . . . . ?
S00V C104 C106 C108 45(4) . . . . ?
S00V C104 C106 C110 -92(2) . . . . ?
S00V C104 C106 C113 156(2) . . . . ?
S00V C104 C107 C111 134(2) . . . . ?
S00W C134 C135 C143 121.7(19) . . . . ?
S00W C134 C136 C138 55(3) . . . . ?
S00W C134 C136 C139 -86.3(15) . . . . ?
S00W C134 C136 C146 165.3(15) . . . . ?
S00X C116 C118 C128 135(2) . . . . ?
S00X C116 C124 C122 29(4) . . . . ?
S00X C116 C124 C126 -99(3) . . . . ?
S00X C116 C124 C132 161(2) . . . . ?
S00Y C91 C92 C93 -90(3) . . . . ?
S00Y C91 C92 C96 49(4) . . . . ?
S00Y C91 C92 C97 161(3) . . . . ?
S00Y C91 C120 C95 128(4) . . . . ?
P00L C1 C59 C36 -178.6(16) . . . . ?
P00L C1 C16 C100 178.5(17) . . . . ?
P00L C44 C130 C26 178(3) . . . . ?
P00L C44 C185 C11 180(3) . . . . ?
P00R C3 C38 C73 -179.6(19) . . . . ?
P00R C3 C140 C80 179.6(19) . . . . ?
P00R C9 C45 C109 178(3) . . . . ?
P00R C9 C162 C137 177(3) . . . . ?
C1 P00L C15 P00R 68(3) . . . . ?
C1 P00L C44 C130 5(4) . . . . ?
C1 P00L C44 C185 -172(3) . . . . ?
C1 C59 C36 C48 0.0 . . . . ?
C59 C1 C16 C100 0.0 . . . . ?
C59 C36 C48 C100 0.0 . . . . ?
C36 C48 C100 C16 0.0 . . . . ?
C48 C100 C16 C1 0.0 . . . . ?
C16 C1 C59 C36 0.0 . . . . ?
C2 C4 C19 C6 61.1(17) . . . . ?
C2 C4 C19 C42 171.1(18) . . . . ?
C2 C4 C19 C58 -61(3) . . . . ?
C2 C4 C28 C5 -74(3) . . . . ?
C3 P00R C9 C45 -135(3) . . . . ?
C3 P00R C9 C162 47(4) . . . . ?
C3 P00R C15 P00L 167(2) . . . . ?
C3 C38 C73 C17 0.0 . . . . ?
C38 C3 C140 C80 0.0 . . . . ?
C38 C73 C17 C80 0.0 . . . . ?
C73 C17 C80 C140 0.0 . . . . ?
C17 C80 C140 C3 0.0 . . . . ?
C140 C3 C38 C73 0.0 . . . . ?
C4 C2 C7 S00N 136(2) . . . . ?
C4 C2 C7 C6 9(3) . . . . ?
C5 C6 C7 S00N 158.8(16) . . . . ?
C5 C6 C7 C2 -80(2) . . . . ?
C5 C6 C19 C4 53.5(19) . . . . ?
C5 C6 C19 C42 -57(2) . . . . ?
C5 C6 C19 C58 178(3) . . . . ?
C6 C5 C28 C4 3(3) . . . . ?
C7 C2 C4 C19 -45(3) . . . . ?
C7 C2 C4 C28 66(3) . . . . ?
C7 C6 C19 C4 -56.6(18) . . . . ?
C7 C6 C19 C42 -166.6(19) . . . . ?
C7 C6 C19 C58 68(3) . . . . ?
C8 C33 C35 C102 72(3) . . . . ?
C8 C33 C62 C50 -55.1(16) . . . . ?
C8 C33 C62 C55 61.8(19) . . . . ?
C8 C33 C62 C94 -171.3(18) . . . . ?
C9 P00R C3 C38 38(2) . . . . ?
C9 P00R C3 C140 -141.3(19) . . . . ?
C9 P00R C15 P00L -88(3) . . . . ?
C9 C45 C109 C51 4(6) . . . . ?
C10 C18 C22 C13 11(4) . . . . ?
C12 C10 C14 C13 177(3) . . . . ?
C12 C10 C14 C43 -67(3) . . . . ?
C12 C10 C14 C105 61(3) . . . . ?
C12 C10 C18 S00O 38(3) . . . . ?
C12 C10 C18 C22 161(3) . . . . ?
C12 C10 C31 C20 -168(3) . . . . ?
C13 C20 C31 C10 6(5) . . . . ?
C14 C10 C18 S00O -98(2) . . . . ?
C14 C10 C18 C22 25(3) . . . . ?
C14 C10 C31 C20 -40(4) . . . . ?
C14 C13 C20 C31 29(5) . . . . ?
C14 C13 C22 C18 -43(4) . . . . ?
C15 P00L C1 C59 -152.4(17) . . . . ?
C15 P00L C1 C16 29(2) . . . . ?
C15 P00L C44 C130 -108(4) . . . . ?
C15 P00L C44 C185 74(3) . . . . ?
C15 P00R C3 C38 145.8(18) . . . . ?
C15 P00R C3 C140 -34(2) . . . . ?
C15 P00R C9 C45 114(3) . . . . ?
C15 P00R C9 C162 -65(4) . . . . ?
C18 C10 C14 C13 -50(2) . . . . ?
C18 C10 C14 C43 66(3) . . . . ?
C18 C10 C14 C105 -166(2) . . . . ?
C18 C10 C31 C20 69(4) . . . . ?
C19 C4 C28 C5 33(3) . . . . ?
C19 C6 C7 S00N -90.8(18) . . . . ?
C19 C6 C7 C2 31(3) . . . . ?
C20 C13 C14 C10 -51(3) . . . . ?
C20 C13 C14 C43 -167(3) . . . . ?
C20 C13 C14 C105 66(3) . . . . ?
C20 C13 C22 C18 61(4) . . . . ?
C21 C34 C63 C46 -37(2) . . . . ?
C21 C34 C63 C47 72(2) . . . . ?
C21 C40 C46 C63 -56.9(16) . . . . ?
C21 C40 C46 C87 -176(2) . . . . ?
C21 C40 C46 C147 59(2) . . . . ?
C22 C13 C14 C10 58(3) . . . . ?
C22 C13 C14 C43 -59(3) . . . . ?
C22 C13 C14 C105 174(3) . . . . ?
C22 C13 C20 C31 -76(5) . . . . ?
C23 C24 C27 C125 -41(3) . . . . ?
C23 C24 C27 C170 69(3) . . . . ?
C23 C25 C90 C170 70(3) . . . . ?
C23 C25 C125 C27 -59.1(18) . . . . ?
C23 C25 C125 C66 57(2) . . . . ?
C23 C25 C125 C101 -175(2) . . . . ?
C24 C23 C25 C30 169(3) . . . . ?
C24 C23 C25 C90 -77(2) . . . . ?
C24 C23 C25 C125 32(3) . . . . ?
C24 C27 C125 C25 62.1(17) . . . . ?
C24 C27 C125 C66 -54.9(19) . . . . ?
C24 C27 C125 C101 178(2) . . . . ?
C24 C27 C170 C90 -76(2) . . . . ?
C25 C23 C24 C27 6(3) . . . . ?
C25 C90 C170 C27 5(3) . . . . ?
C28 C4 C19 C6 -52(2) . . . . ?
C28 C4 C19 C42 58(3) . . . . ?
C28 C4 C19 C58 -174(3) . . . . ?
C28 C5 C6 C7 72(3) . . . . ?
C28 C5 C6 C19 -37(3) . . . . ?
C28 C5 C6 C32 -169(3) . . . . ?
C29 C11 C185 C44 2(7) . . . . ?
C29 C26 C130 C44 4(7) . . . . ?
C30 C25 C90 C170 -176(3) . . . . ?
C30 C25 C125 C27 178.7(14) . . . . ?
C30 C25 C125 C66 -65.2(19) . . . . ?
C30 C25 C125 C101 62.4(18) . . . . ?
C31 C10 C14 C13 59(3) . . . . ?
C31 C10 C14 C43 175(3) . . . . ?
C31 C10 C14 C105 -57(3) . . . . ?
C31 C10 C18 S00O 153(2) . . . . ?
C31 C10 C18 C22 -84(4) . . . . ?
C32 C6 C7 S00N 40(3) . . . . ?
C32 C6 C7 C2 162(3) . . . . ?
C32 C6 C19 C4 179(3) . . . . ?
C32 C6 C19 C42 69(3) . . . . ?
C32 C6 C19 C58 -57(3) . . . . ?
C33 C8 C67 C50 -1(4) . . . . ?
C33 C35 C102 C50 0(4) . . . . ?
C34 C21 C40 C37 -74(2) . . . . ?
C34 C21 C40 C41 159(3) . . . . ?
C34 C21 C40 C46 35(2) . . . . ?
C35 C33 C62 C50 56.6(18) . . . . ?
C35 C33 C62 C55 173(2) . . . . ?
C35 C33 C62 C94 -60(2) . . . . ?
C37 C40 C46 C63 52.1(17) . . . . ?
C37 C40 C46 C87 -67(2) . . . . ?
C37 C40 C46 C147 168(2) . . . . ?
C37 C47 C63 C34 -73(3) . . . . ?
C37 C47 C63 C46 32(2) . . . . ?
C40 C21 C34 C63 2(3) . . . . ?
C40 C37 C47 C63 2(2) . . . . ?
C40 C46 C63 C34 57.5(17) . . . . ?
C40 C46 C63 C47 -51.0(18) . . . . ?
C41 C40 C46 C63 -175(3) . . . . ?
C41 C40 C46 C87 66(3) . . . . ?
C41 C40 C46 C147 -59(4) . . . . ?
C44 P00L C1 C59 99.3(17) . . . . ?
C44 P00L C1 C16 -79.3(18) . . . . ?
C44 P00L C15 P00R 179(2) . . . . ?
C45 C9 C162 C137 -1(6) . . . . ?
C47 C37 C40 C21 71(2) . . . . ?
C47 C37 C40 C41 -168(3) . . . . ?
C47 C37 C40 C46 -34(2) . . . . ?
C49 C52 C57 C54 -38(3) . . . . ?
C49 C52 C57 C60 72(2) . . . . ?
C49 C53 C54 C56 60(3) . . . . ?
C49 C53 C54 C57 -52.9(19) . . . . ?
C49 C53 C54 C85 -161(2) . . . . ?
C49 C53 C61 C60 71(3) . . . . ?
C51 C137 C162 C9 7(8) . . . . ?
C52 C49 C53 C54 34(3) . . . . ?
C52 C49 C53 C61 -78(3) . . . . ?
C52 C49 C53 C64 166(3) . . . . ?
C52 C57 C60 C61 -80(3) . . . . ?
C53 C49 C52 C57 3(3) . . . . ?
C53 C54 C57 C52 55.1(19) . . . . ?
C53 C54 C57 C60 -51(2) . . . . ?
C54 C53 C61 C60 -41(4) . . . . ?
C54 C57 C60 C61 30(4) . . . . ?
C56 C54 C57 C52 -61(3) . . . . ?
C56 C54 C57 C60 -167(3) . . . . ?
C57 C60 C61 C53 6(4) . . . . ?
C61 C53 C54 C56 169(3) . . . . ?
C61 C53 C54 C57 56(2) . . . . ?
C61 C53 C54 C85 -52(3) . . . . ?
C62 C33 C35 C102 -34(3) . . . . ?
C62 C50 C67 C8 -34(3) . . . . ?
C62 C50 C102 C35 35(3) . . . . ?
C64 C53 C54 C56 -66(3) . . . . ?
C64 C53 C54 C57 -178.9(16) . . . . ?
C64 C53 C54 C85 73(2) . . . . ?
C64 C53 C61 C60 -174(3) . . . . ?
C65 C81 C144 C117 -38(3) . . . . ?
C65 C81 C144 C123 72(3) . . . . ?
C65 C81 C144 C158 -158(4) . . . . ?
C67 C8 C33 C35 -71(3) . . . . ?
C67 C8 C33 C62 34(3) . . . . ?
C67 C8 C33 C78 165(4) . . . . ?
C67 C50 C62 C33 55(2) . . . . ?
C67 C50 C62 C55 -62(2) . . . . ?
C67 C50 C62 C94 171(2) . . . . ?
C67 C50 C102 C35 -71(3) . . . . ?
C68 C69 C74 C71 -39(3) . . . . ?
C68 C69 C74 C84 70(3) . . . . ?
C68 C70 C71 C74 -62.4(16) . . . . ?
C68 C70 C71 C131 -171(2) . . . . ?
C68 C70 C71 C295 59(3) . . . . ?
C68 C70 C72 C84 73(2) . . . . ?
C69 C68 C70 C71 39(3) . . . . ?
C69 C68 C70 C72 -76(3) . . . . ?
C69 C68 C70 C75 158(3) . . . . ?
C69 C74 C84 C72 -75(2) . . . . ?
C70 C68 C69 C74 1(3) . . . . ?
C70 C71 C74 C69 62.1(18) . . . . ?
C70 C71 C74 C84 -47(2) . . . . ?
C70 C72 C84 C74 3(3) . . . . ?
C71 C70 C72 C84 -36(3) . . . . ?
C71 C74 C84 C72 30(3) . . . . ?
C72 C70 C71 C74 52.2(19) . . . . ?
C72 C70 C71 C131 -56(2) . . . . ?
C72 C70 C71 C295 174(3) . . . . ?
C75 C70 C71 C74 179.7(15) . . . . ?
C75 C70 C71 C131 71(2) . . . . ?
C75 C70 C71 C295 -59(3) . . . . ?
C75 C70 C72 C84 -163(2) . . . . ?
C76 C82 C88 C86 33(3) . . . . ?
C76 C82 C89 C39 -40(3) . . . . ?
C77 C76 C82 C88 -167(2) . . . . ?
C77 C76 C82 C89 -56(2) . . . . ?
C77 C76 C121 C39 60(2) . . . . ?
C77 C76 C121 C83 -60(3) . . . . ?
C77 C76 C121 C86 172.5(19) . . . . ?
C78 C33 C35 C102 -159(3) . . . . ?
C78 C33 C62 C50 174(3) . . . . ?
C78 C33 C62 C55 -69(3) . . . . ?
C78 C33 C62 C94 58(3) . . . . ?
C79 C76 C82 C88 60(2) . . . . ?
C79 C76 C82 C89 171.2(19) . . . . ?
C79 C76 C121 C39 -166.4(19) . . . . ?
C79 C76 C121 C83 74(3) . . . . ?
C79 C76 C121 C86 -54(2) . . . . ?
C81 C65 C202 C117 35(3) . . . . ?
C81 C65 C202 C119 -75(3) . . . . ?
C82 C76 C121 C39 -53.8(17) . . . . ?
C82 C76 C121 C83 -174(3) . . . . ?
C82 C76 C121 C86 58.4(16) . . . . ?
C85 C54 C57 C52 163(2) . . . . ?
C85 C54 C57 C60 58(3) . . . . ?
C87 C46 C63 C34 171(2) . . . . ?
C87 C46 C63 C47 63(3) . . . . ?
C88 C82 C89 C39 71(3) . . . . ?
C88 C86 C121 C39 71(3) . . . . ?
C88 C86 C121 C76 -41(3) . . . . ?
C88 C86 C121 C83 -170(3) . . . . ?
C89 C39 C121 C76 34(3) . . . . ?
C89 C39 C121 C83 158(3) . . . . ?
C89 C39 C121 C86 -78(3) . . . . ?
C89 C82 C88 C86 -79(3) . . . . ?
C90 C25 C125 C27 50(2) . . . . ?
C90 C25 C125 C66 166(2) . . . . ?
C90 C25 C125 C101 -67(2) . . . . ?
C91 C92 C93 C95 -52(3) . . . . ?
C91 C92 C93 C99 65(3) . . . . ?
C91 C92 C93 C103 -168(3) . . . . ?
C91 C92 C97 C98 76(4) . . . . ?
C92 C91 C120 C95 2(6) . . . . ?
C92 C93 C95 C98 -50(3) . . . . ?
C92 C93 C95 C120 53(3) . . . . ?
C92 C97 C98 C95 -1(6) . . . . ?
C93 C92 C97 C98 -31(4) . . . . ?
C93 C95 C98 C97 32(5) . . . . ?
C93 C95 C120 C91 -35(5) . . . . ?
C96 C92 C93 C95 179.6(15) . . . . ?
C96 C92 C93 C99 -63.5(19) . . . . ?
C96 C92 C93 C103 63.7(19) . . . . ?
C96 C92 C97 C98 -172(4) . . . . ?
C97 C92 C93 C95 50(2) . . . . ?
C97 C92 C93 C99 167(2) . . . . ?
C97 C92 C93 C103 -66(2) . . . . ?
C98 C95 C120 C91 74(5) . . . . ?
C99 C93 C95 C98 -167(3) . . . . ?
C99 C93 C95 C120 -63(3) . . . . ?
C102 C50 C62 C33 -57.0(19) . . . . ?
C102 C50 C62 C55 -174(2) . . . . ?
C102 C50 C62 C94 59(2) . . . . ?
C102 C50 C67 C8 72(3) . . . . ?
C103 C93 C95 C98 65(3) . . . . ?
C103 C93 C95 C120 169(3) . . . . ?
C104 C106 C110 C111 -53.3(18) . . . . ?
C104 C106 C110 C112 55(2) . . . . ?
C104 C106 C110 C115 -174(4) . . . . ?
C104 C106 C113 C114 70(3) . . . . ?
C104 C107 C111 C110 -42(3) . . . . ?
C104 C107 C111 C114 69(3) . . . . ?
C106 C104 C107 C111 6(3) . . . . ?
C106 C110 C111 C107 57.6(17) . . . . ?
C106 C110 C111 C114 -54.2(18) . . . . ?
C106 C113 C114 C111 5(3) . . . . ?
C107 C104 C106 C108 169(4) . . . . ?
C107 C104 C106 C110 32(3) . . . . ?
C107 C104 C106 C113 -79(3) . . . . ?
C107 C111 C114 C113 -78(3) . . . . ?
C108 C106 C110 C111 178(4) . . . . ?
C108 C106 C110 C112 -73(4) . . . . ?
C108 C106 C110 C115 58(5) . . . . ?
C108 C106 C113 C114 -175(4) . . . . ?
C109 C51 C137 C162 -8(9) . . . . ?
C110 C106 C113 C114 -42(3) . . . . ?
C110 C111 C114 C113 33(3) . . . . ?
C112 C110 C111 C107 -52(2) . . . . ?
C112 C110 C111 C114 -164(2) . . . . ?
C113 C106 C110 C111 58.9(17) . . . . ?
C113 C106 C110 C112 168(2) . . . . ?
C113 C106 C110 C115 -62(4) . . . . ?
C115 C110 C111 C107 175(4) . . . . ?
C115 C110 C111 C114 63(4) . . . . ?
C116 C118 C128 C126 -45(4) . . . . ?
C116 C118 C128 C127 67(3) . . . . ?
C116 C124 C126 C128 -43(3) . . . . ?
C116 C124 C126 C129 66(3) . . . . ?
C116 C124 C126 C133 -159(4) . . . . ?
C116 C124 C132 C127 72(4) . . . . ?
C118 C116 C124 C122 148(3) . . . . ?
C118 C116 C124 C126 20(4) . . . . ?
C118 C116 C124 C132 -81(4) . . . . ?
C119 C123 C144 C81 -73(2) . . . . ?
C119 C123 C144 C117 32(3) . . . . ?
C119 C123 C144 C158 157(4) . . . . ?
C120 C91 C92 C93 31(6) . . . . ?
C120 C91 C92 C96 171(4) . . . . ?
C120 C91 C92 C97 -78(5) . . . . ?
C120 C95 C98 C97 -75(5) . . . . ?
C121 C39 C89 C82 3(3) . . . . ?
C121 C76 C82 C88 -53.8(17) . . . . ?
C121 C76 C82 C89 57.2(16) . . . . ?
C121 C86 C88 C82 4(3) . . . . ?
C122 C124 C126 C128 -177(3) . . . . ?
C122 C124 C126 C129 -68(3) . . . . ?
C122 C124 C126 C133 68(4) . . . . ?
C122 C124 C132 C127 -157(4) . . . . ?
C123 C119 C202 C65 74(2) . . . . ?
C123 C119 C202 C117 -31(3) . . . . ?
C124 C116 C118 C128 14(4) . . . . ?
C124 C126 C128 C118 54(3) . . . . ?
C124 C126 C128 C127 -62(3) . . . . ?
C125 C25 C90 C170 -35(3) . . . . ?
C125 C27 C170 C90 26(3) . . . . ?
C126 C124 C132 C127 -38(4) . . . . ?
C128 C127 C132 C124 0(4) . . . . ?
C129 C126 C128 C118 -55(3) . . . . ?
C129 C126 C128 C127 -172(3) . . . . ?
C130 C26 C29 C11 0(6) . . . . ?
C130 C44 C185 C11 2(6) . . . . ?
C131 C71 C74 C69 172(2) . . . . ?
C131 C71 C74 C84 62(2) . . . . ?
C132 C124 C126 C128 57(2) . . . . ?
C132 C124 C126 C129 166(3) . . . . ?
C132 C124 C126 C133 -59(4) . . . . ?
C132 C127 C128 C118 -75(3) . . . . ?
C132 C127 C128 C126 39(4) . . . . ?
C133 C126 C128 C118 -179(3) . . . . ?
C133 C126 C128 C127 64(4) . . . . ?
C134 C135 C143 C139 -32(3) . . . . ?
C134 C135 C143 C145 78(2) . . . . ?
C134 C136 C139 C141 -160(2) . . . . ?
C134 C136 C139 C142 64(2) . . . . ?
C134 C136 C139 C143 -49.2(16) . . . . ?
C134 C136 C146 C145 73(3) . . . . ?
C135 C134 C136 C138 174(3) . . . . ?
C135 C134 C136 C139 33(3) . . . . ?
C135 C134 C136 C146 -75(3) . . . . ?
C135 C143 C145 C146 -80(3) . . . . ?
C136 C134 C135 C143 -1(3) . . . . ?
C136 C139 C143 C135 50.4(17) . . . . ?
C136 C139 C143 C145 -52.0(17) . . . . ?
C137 C51 C109 C45 2(8) . . . . ?
C138 C136 C139 C141 74(3) . . . . ?
C138 C136 C139 C142 -61(3) . . . . ?
C138 C136 C139 C143 -175(3) . . . . ?
C138 C136 C146 C145 180(3) . . . . ?
C139 C136 C146 C145 -36(3) . . . . ?
C139 C143 C145 C146 32(3) . . . . ?
C141 C139 C143 C135 162(2) . . . . ?
C141 C139 C143 C145 60(2) . . . . ?
C142 C139 C143 C135 -63(2) . . . . ?
C142 C139 C143 C145 -165(2) . . . . ?
C143 C145 C146 C136 2(3) . . . . ?
C144 C117 C202 C65 -59.2(17) . . . . ?
C144 C117 C202 C119 49.0(17) . . . . ?
C146 C136 C139 C141 -58(2) . . . . ?
C146 C136 C139 C142 167(2) . . . . ?
C146 C136 C139 C143 53.2(16) . . . . ?
C147 C46 C63 C34 -58.4(18) . . . . ?
C147 C46 C63 C47 -166.9(17) . . . . ?
C162 C9 C45 C109 -4(6) . . . . ?
C163 C117 C144 C81 -56(2) . . . . ?
C163 C117 C144 C123 -166(2) . . . . ?
C163 C117 C144 C158 67(3) . . . . ?
C163 C117 C202 C65 58.1(19) . . . . ?
C163 C117 C202 C119 166.3(18) . . . . ?
C170 C27 C125 C25 -46.5(18) . . . . ?
C170 C27 C125 C66 -163.4(19) . . . . ?
C170 C27 C125 C101 70(2) . . . . ?
C172 C117 C144 C81 176(2) . . . . ?
C172 C117 C144 C123 66(2) . . . . ?
C172 C117 C144 C158 -61(3) . . . . ?
C172 C117 C202 C65 -175(2) . . . . ?
C172 C117 C202 C119 -67(2) . . . . ?
C185 C11 C29 C26 -3(7) . . . . ?
C185 C44 C130 C26 -5(7) . . . . ?
C202 C65 C81 C144 2(3) . . . . ?
C202 C117 C144 C81 60.4(18) . . . . ?
C202 C117 C144 C123 -49(2) . . . . ?
C202 C117 C144 C158 -177(3) . . . . ?
C202 C119 C123 S00T 124.8(19) . . . . ?
C202 C119 C123 C144 0(3) . . . . ?
C295 C71 C74 C69 -65(3) . . . . ?
C295 C71 C74 C84 -174(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.88733
2 0.11267

# S-Au19 RESULTS (APPEND TO CIF)
_vrf_PLAT342_S-Au19              
;
PROBLEM: ALERT: Low Bond Precision on  C-C Bonds
RESPONSE: Caused by the large number of C-C bonds in the structure.
;
