# Electronic Supplementary Material (ESI) for Materials Chemistry Frontiers.
# This journal is © the Partner Organisations 2021

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

data_hy
_database_code_depnum_ccdc_archive 'CCDC 2102634'
_audit_update_record             
;
2021-08-11 deposited with the CCDC.	2021-09-28 downloaded from the CCDC.
;
_audit_creation_date             2019-11-27
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C296 H252 Ag24 S8, 2(N O3)'
_chemical_formula_sum            'C296 H252 Ag24 N2 O6 S8'
_chemical_formula_weight         6778.34
_chemical_melting_point          ?
_chemical_oxdiff_usercomment     ' '
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   20.3661(2)
_cell_length_b                   20.8433(2)
_cell_length_c                   21.4825(2)
_cell_angle_alpha                62.5110(10)
_cell_angle_beta                 85.6090(10)
_cell_angle_gamma                65.7300(10)
_cell_volume                     7302.15(14)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    37118
_cell_measurement_temperature    199.99(10)
_cell_measurement_theta_max      73.3430
_cell_measurement_theta_min      2.5650
_shelx_estimated_absorpt_T_max   0.346
_shelx_estimated_absorpt_T_min   0.294
_exptl_absorpt_coefficient_mu    13.496
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.52415
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.27b (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.541
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3346
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0352
_diffrn_reflns_av_unetI/netI     0.0362
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            81341
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        66.499
_diffrn_reflns_theta_max         66.499
_diffrn_reflns_theta_min         2.569
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      199.99(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     32.00  89.00   0.50    0.50    --    0.00  19.00  60.00  114
  2  ω    -89.00  22.00   0.50    0.50    --    0.00 -57.00 -30.00  222
  3  ω    -14.00  60.00   0.50    0.50    --    0.00  38.00 -30.00  148
  4  ω    -21.00  15.00   0.50    0.50    --    0.00  19.00  60.00   72
  5  ω    -19.00  30.00   0.50    0.50    --    0.00  38.00-150.00   98
  6  ω    -12.00  29.00   0.50    0.50    --    0.00  38.00 -60.00   82
  7  ω     52.00 107.00   0.50    0.60    --   95.20 -61.00   0.00  110
  8  ω      8.00  35.00   0.50    0.60    --   95.20 -61.00   0.00   54
  9  ω      7.00 109.00   0.50    0.60    --   95.20 -30.00 -60.00  204
 10  ω      9.00 120.00   0.50    0.60    --   95.20 -61.00-180.00  222
 11  ω      6.00  32.00   0.50    0.60    --   95.20 -82.00  30.00   52
 12  ω      6.00  86.00   0.50    0.60    --   95.20 -15.00   0.00  160
 13  ω     11.00  68.00   0.50    0.60    --   95.20 -61.00 120.00  114
 14  ω     71.00 184.00   0.50    0.60    --   95.20  15.00 -90.00  226
 15  ω     13.00 117.00   0.50    0.60    --   95.20 -82.00-180.00  208
 16  ω     44.00 111.00   0.50    0.60    --   95.20 -30.00-150.00  134
 17  ω     61.00 116.00   0.50    0.60    --   95.20 -82.00  60.00  110
 18  ω     64.00 128.00   0.50    0.60    --   95.20 -82.00 -60.00  128
 19  ω     72.00 128.00   0.50    0.60    --   95.20 -82.00-120.00  112
 20  ω     84.00 165.00   0.50    0.60    --   95.20  15.00 -30.00  162
 21  ω     43.00  70.00   0.50    0.60    --   95.20 -82.00 -30.00   54
 22  ω     99.00 126.00   0.50    0.60    --   95.20 -82.00 -30.00   54
 23  ω     14.00  39.00   0.50    0.60    --   95.20 -30.00-150.00   50
 24  ω     68.00 106.00   0.50    0.60    --   95.20 -82.00  30.00   76
 25  ω     28.00 105.00   0.50    0.60    --   95.20 -82.00 120.00  154
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC12 (RINC): Kappa single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0076756000
_diffrn_orient_matrix_UB_12      -0.0519084000
_diffrn_orient_matrix_UB_13      0.0768946000
_diffrn_orient_matrix_UB_21      0.0831299000
_diffrn_orient_matrix_UB_22      -0.0384491000
_diffrn_orient_matrix_UB_23      0.0202420000
_diffrn_orient_matrix_UB_31      -0.0072940000
_diffrn_orient_matrix_UB_32      0.0655546000
_diffrn_orient_matrix_UB_33      0.0185213000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                20784
_reflns_number_total             25616
_reflns_odcompleteness_completeness 99.57
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_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       'CrysAlisPro 1.171.39.27b (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.39.27b (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.39.27b (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve (Bourhis et al., 2015)'
_refine_diff_density_max         1.953
_refine_diff_density_min         -0.655
_refine_diff_density_rms         0.078
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1979
_refine_ls_number_reflns         25616
_refine_ls_number_restraints     900
_refine_ls_R_factor_all          0.0484
_refine_ls_R_factor_gt           0.0393
_refine_ls_restrained_S_all      1.087
_refine_ls_shift/su_max          0.115
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0590P)²+3.8989P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1065
_refine_ls_wR_factor_ref         0.1113
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C151-C134
 1.51 with sigma of 0.02
 C168-C127
 1.51 with sigma of 0.02
 C208-C197 = C208-C204
 1.39 with sigma of 0.02
 C121-C15 = C139-C136
 1.51 with sigma of 0.02
 C159-C158
 1.51 with sigma of 0.02
 C112-C81
 1.51 with sigma of 0.02
 C186-C157 = C112-C81
 1.51 with sigma of 0.02
 C190-C192
 2.5 with sigma of 0.02
 C190-C194
 2.5 with sigma of 0.02
 C193-C190
 1.51 with sigma of 0.02
 C2AA-C29 = C7AA-C29
 1.51 with sigma of 0.02
 C57-C108 = C117-C108 = C74-C117 = C92-C74 = C92-C67 = C67-C57
 1.39 with sigma of 0.01
 C130-C128 = C137-C128 = C130-C129 = C131-C129 = C133-C131 = C137-C133
 1.39 with sigma of 0.01
 C87-C45 = C45-C106 = C116-C109 = C115-C109
 1.39 with sigma of 0.01
3. Rigid bond restraints
 C177, C178, C181, C182, C119, C193, C152, C153, C154, C155, C92, C208
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
4. Uiso/Uaniso restraints and constraints
Uanis(C36) \\sim Ueq, Uanis(C156) \\sim Ueq, Uanis(C86) \\sim Ueq, Uanis(C155)
\\sim Ueq, Uanis(C51) \\sim Ueq, Uanis(C154) \\sim Ueq, Uanis(C89) \\sim Ueq,
Uanis(C153) \\sim Ueq, Uanis(C31) \\sim Ueq, Uanis(C152) \\sim Ueq, Uanis(C15)
\\sim Ueq, Uanis(C151) \\sim Ueq: with sigma of 0.01 and sigma for terminal
atoms of 0.02
Uanis(C159) \\sim Ueq, Uanis(C160) \\sim Ueq, Uanis(C161) \\sim Ueq,
Uanis(C162) \\sim Ueq, Uanis(C163) \\sim Ueq, Uanis(C164) \\sim Ueq,
Uanis(C166) \\sim Ueq, Uanis(C167) \\sim Ueq, Uanis(C165) \\sim Ueq,
Uanis(C170) \\sim Ueq, Uanis(C169) \\sim Ueq, Uanis(C168) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
Uanis(C171) \\sim Ueq, Uanis(C172) \\sim Ueq, Uanis(C173) \\sim Ueq,
Uanis(C174) \\sim Ueq, Uanis(C175) \\sim Ueq, Uanis(C176) \\sim Ueq,
Uanis(C177) \\sim Ueq, Uanis(C182) \\sim Ueq, Uanis(C180) \\sim Ueq,
Uanis(C178) \\sim Ueq, Uanis(C179) \\sim Ueq, Uanis(C181) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
Uanis(C185) \\sim Ueq, Uanis(C186) \\sim Ueq, Uanis(C81) \\sim Ueq, Uanis(C80)
\\sim Ueq, Uanis(C184) \\sim Ueq, Uanis(C85) \\sim Ueq, Uanis(C183) \\sim Ueq,
Uanis(C84) \\sim Ueq, Uanis(C188) \\sim Ueq, Uanis(C187) \\sim Ueq, Uanis(C82)
\\sim Ueq, Uanis(C83) \\sim Ueq: with sigma of 0.01 and sigma for terminal
atoms of 0.02
Uanis(C100) \\sim Ueq, Uanis(C101) \\sim Ueq, Uanis(C102) \\sim Ueq,
Uanis(C103) \\sim Ueq, Uanis(C104) \\sim Ueq, Uanis(C105) \\sim Ueq,
Uanis(C198) \\sim Ueq, Uanis(C199) \\sim Ueq, Uanis(C200) \\sim Ueq,
Uanis(C201) \\sim Ueq, Uanis(C202) \\sim Ueq, Uanis(C203) \\sim Ueq, Uanis(C58)
\\sim Ueq, Uanis(C59) \\sim Ueq, Uanis(C60) \\sim Ueq, Uanis(C61) \\sim Ueq,
Uanis(C62) \\sim Ueq, Uanis(C63) \\sim Ueq, Uanis(C191) \\sim Ueq, Uanis(C192)
\\sim Ueq, Uanis(C193) \\sim Ueq, Uanis(C194) \\sim Ueq, Uanis(C195) \\sim Ueq,
Uanis(C196) \\sim Ueq, Uanis(C57) \\sim Ueq, Uanis(C67) \\sim Ueq, Uanis(C74)
\\sim Ueq, Uanis(C92) \\sim Ueq, Uanis(C108) \\sim Ueq, Uanis(C117) \\sim Ueq,
Uanis(C197) \\sim Ueq, Uanis(C204) \\sim Ueq, Uanis(C205) \\sim Ueq,
Uanis(C206) \\sim Ueq, Uanis(C207) \\sim Ueq, Uanis(C208) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
Uanis(C0AA) \\sim Ueq, Uanis(C1AA) \\sim Ueq, Uanis(C2AA) \\sim Ueq,
Uanis(C3AA) \\sim Ueq, Uanis(C5AA) \\sim Ueq, Uanis(C6AA) \\sim Ueq,
Uanis(C7AA) \\sim Ueq, Uanis(C8AA) \\sim Ueq, Uanis(C9AA) \\sim Ueq,
Uanis(C0BA) \\sim Ueq, Uanis(C1BA) \\sim Ueq, Uanis(C2BA) \\sim Ueq: with sigma
of 0.02 and sigma for terminal atoms of 0.04
Uanis(C90) \\sim Ueq, Uanis(C116) \\sim Ueq, Uanis(C109) \\sim Ueq, Uanis(C115)
\\sim Ueq, Uanis(C87) \\sim Ueq, Uanis(C106) \\sim Ueq, Uanis(C45) \\sim Ueq,
Uanis(C96) \\sim Ueq, Uanis(C97) \\sim Ueq, Uanis(C73) \\sim Ueq, Uanis(C28)
\\sim Ueq, Uanis(C54) \\sim Ueq: with sigma of 0.01 and sigma for terminal
atoms of 0.02
Uanis(C147) \\sim Ueq, Uanis(C135) \\sim Ueq, Uanis(C136) \\sim Ueq,
Uanis(C139) \\sim Ueq, Uanis(C140) \\sim Ueq, Uanis(C146) \\sim Ueq,
Uanis(C150) \\sim Ueq, Uanis(C145) \\sim Ueq, Uanis(C144) \\sim Ueq,
Uanis(C143) \\sim Ueq, Uanis(C142) \\sim Ueq, Uanis(C149) \\sim Ueq,
Uanis(C148) \\sim Ueq, Uanis(C141) \\sim Ueq, Uanis(C122) \\sim Ueq,
Uanis(C124) \\sim Ueq, Uanis(C125) \\sim Ueq, Uanis(C126) \\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(C137) \\sim Ueq, Uanis(C138) \\sim Ueq, Uanis(C121) \\sim Ueq,
Uanis(C134) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C54) \\sim Ueq, Uanis(C72) \\sim Ueq, Uanis(C80) \\sim Ueq, Uanis(C89)
\\sim Ueq, Uanis(C96) \\sim Ueq, Uanis(C97) \\sim Ueq, Uanis(C119) \\sim Ueq,
Uanis(C122) \\sim Ueq, Uanis(C84) \\sim Ueq, Uanis(C83) \\sim Ueq, Uanis(C128)
\\sim Ueq, Uanis(C54) \\sim Ueq, Uanis(C72) \\sim Ueq, Uanis(C80) \\sim Ueq,
Uanis(C89) \\sim Ueq, Uanis(C95) \\sim Ueq, Uanis(C98) \\sim Ueq, Uanis(C119)
\\sim Ueq, Uanis(C104) \\sim Ueq, Uanis(C122) \\sim Ueq, Uanis(C124) \\sim Ueq,
Uanis(C126) \\sim Ueq, Uanis(C84) \\sim Ueq, Uanis(C83) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
Uanis(C124) \\sim Ueq, Uanis(C125) \\sim Ueq, Uanis(C126) \\sim Ueq,
Uanis(C128) \\sim Ueq, Uanis(C137) \\sim Ueq, Uanis(C139) \\sim Ueq,
Uanis(C147) \\sim Ueq, Uanis(C140) \\sim Ueq, Uanis(C148) \\sim Ueq,
Uanis(C141) \\sim Ueq, Uanis(C142) \\sim Ueq, Uanis(C149) \\sim Ueq,
Uanis(C143) \\sim Ueq, Uanis(C144) \\sim Ueq, Uanis(C145) \\sim Ueq,
Uanis(C150) \\sim Ueq, Uanis(C146) \\sim Ueq, Uanis(C122) \\sim Ueq,
Uanis(C129) \\sim Ueq, Uanis(C130) \\sim Ueq, Uanis(C131) \\sim Ueq,
Uanis(C132) \\sim Ueq, Uanis(C133) \\sim Ueq, Uanis(C138) \\sim Ueq,
Uanis(C121) \\sim Ueq, Uanis(C135) \\sim Ueq, Uanis(C136) \\sim Ueq,
Uanis(C134) \\sim Ueq, Uanis(C54) \\sim Ueq, Uanis(C90) \\sim Ueq, Uanis(C94)
\\sim Ueq, Uanis(C109) \\sim Ueq, Uanis(C111) \\sim Ueq, Uanis(C114) \\sim Ueq,
Uanis(C103) \\sim Ueq, Uanis(C191) \\sim Ueq, Uanis(C204) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
5. Others
 Sof(C128)=Sof(H128)=Sof(C129)=Sof(H129)=Sof(C130)=Sof(C131)=Sof(H131)=
 Sof(C133)=Sof(H133)=Sof(C134)=Sof(C135)=Sof(C137)=Sof(H137)=Sof(C144)=
 Sof(H144)=Sof(C145)=Sof(H145)=Sof(C146)=Sof(H146)=Sof(C147)=Sof(C148)=
 Sof(H148)=Sof(C149)=Sof(H149)=Sof(C151)=Sof(C152)=Sof(H152)=Sof(C153)=
 Sof(H153)=Sof(C154)=Sof(H154)=Sof(C155)=Sof(H155)=Sof(C156)=Sof(H156)=1-FVAR(1)
 Sof(C15)=Sof(C31)=Sof(H31)=Sof(C36)=Sof(H36)=Sof(C51)=Sof(H51)=Sof(C86)=
 Sof(H86)=Sof(C89)=Sof(H89)=Sof(C121)=Sof(C122)=Sof(C124)=Sof(H124)=Sof(C125)=
 Sof(H125)=Sof(C126)=Sof(H126)=Sof(C132)=Sof(H132)=Sof(C136)=Sof(C138)=
 Sof(H138)=Sof(C139)=Sof(C140)=Sof(H140)=Sof(C141)=Sof(H141)=Sof(C142)=
 Sof(H142)=Sof(C143)=Sof(H143)=Sof(C150)=Sof(H150)=FVAR(1)
 Sof(C127)=Sof(C157)=Sof(C165)=Sof(H165)=Sof(C166)=Sof(H166)=Sof(C167)=
 Sof(H167)=Sof(C168)=Sof(C169)=Sof(H169)=Sof(C170)=Sof(H170)=Sof(C171)=
 Sof(H171)=Sof(C172)=Sof(C173)=Sof(H173)=Sof(C174)=Sof(H174)=Sof(C175)=
 Sof(H175)=Sof(C176)=Sof(H176)=Sof(C183)=Sof(H183)=Sof(C184)=Sof(H184)=
 Sof(C185)=Sof(H185)=Sof(C186)=Sof(C187)=Sof(H187)=Sof(C188)=Sof(H188)=1-FVAR(2)
 Sof(C80)=Sof(H80)=Sof(C81)=Sof(C82)=Sof(H82)=Sof(C83)=Sof(H83)=Sof(C84)=
 Sof(H84)=Sof(C85)=Sof(H85)=Sof(C112)=Sof(C158)=Sof(C159)=Sof(C160)=Sof(H160)=
 Sof(C161)=Sof(H161)=Sof(C162)=Sof(H162)=Sof(C163)=Sof(H163)=Sof(C164)=
 Sof(H164)=Sof(C177)=Sof(H177)=Sof(C178)=Sof(H178)=Sof(C179)=Sof(C180)=
 Sof(H180)=Sof(C181)=Sof(H181)=Sof(C182)=Sof(H182)=FVAR(2)
 Sof(C59)=Sof(H59)=Sof(C60)=Sof(H60)=Sof(C61)=Sof(H61)=Sof(C62)=Sof(H62)=
 Sof(C63)=Sof(H63)=Sof(C58)=Sof(C189)=Sof(C190)=Sof(C197)=Sof(C198)=Sof(H198)=
 Sof(C199)=Sof(H199)=Sof(C200)=Sof(H200)=Sof(C201)=Sof(H201)=Sof(C202)=
 Sof(H202)=Sof(C203)=Sof(C204)=Sof(H204)=Sof(C205)=Sof(H205)=Sof(C206)=
 Sof(H206)=Sof(C207)=Sof(H207)=Sof(C208)=Sof(H208)=1-FVAR(3)
 Sof(C57)=Sof(H57)=Sof(C67)=Sof(C72)=Sof(C74)=Sof(H74)=Sof(C92)=Sof(H92)=
 Sof(C100)=Sof(H100)=Sof(C101)=Sof(H101)=Sof(C102)=Sof(H102)=Sof(C103)=
 Sof(H103)=Sof(C104)=Sof(H104)=Sof(C105)=Sof(C108)=Sof(H108)=Sof(C117)=
 Sof(H117)=Sof(C119)=Sof(C191)=Sof(H191)=Sof(C192)=Sof(H192)=Sof(C193)=
 Sof(C194)=Sof(H194)=Sof(C195)=Sof(H195)=Sof(C196)=Sof(H196)=FVAR(3)
 Sof(C0AA)=Sof(H0AA)=Sof(C6AA)=Sof(H6AA)=Sof(C7AA)=Sof(C8AA)=Sof(H8AA)=
 Sof(C9AA)=Sof(H9AA)=Sof(C2BA)=Sof(H2BA)=1-FVAR(4)
 Sof(C1AA)=Sof(H1AA)=Sof(C2AA)=Sof(C3AA)=Sof(H3AA)=Sof(C5AA)=Sof(H5AA)=
 Sof(C0BA)=Sof(H0BA)=Sof(C1BA)=Sof(H1BA)=FVAR(4)
6.a Aromatic/amide H refined with riding coordinates:
 C24(H24), C30(H30), C31(H31), C35(H35), C36(H36), C39(H39), C43(H43),
 C44(H44), C46(H46), C48(H48), C49(H49), C51(H51), C52(H52), C53(H53), C54(H54),
  C55(H55), C56(H56), C57(H57), C59(H59), C60(H60), C61(H61), C62(H62),
 C63(H63), C64(H64), C66(H66), C68(H68), C69(H69), C71(H71), C73(H73), C74(H74),
  C78(H78), C79(H79), C80(H80), C82(H82), C83(H83), C84(H84), C85(H85),
 C86(H86), C87(H87), C88(H88), C89(H89), C90(H90), C91(H91), C92(H92), C93(H93),
  C95(H95), C96(H96), C97(H97), C98(H98), C99(H99), C100(H100), C101(H101),
 C102(H102), C103(H103), C104(H104), C106(H106), C107(H107), C108(H108),
 C109(H109), C110(H110), C113(H113), C114(H114), C115(H115), C116(H116),
 C117(H117), C124(H124), C125(H125), C126(H126), C128(H128), C129(H129),
 C131(H131), C132(H132), C133(H133), C137(H137), C138(H138), C140(H140),
 C141(H141), C142(H142), C143(H143), C144(H144), C145(H145), C146(H146),
 C148(H148), C149(H149), C150(H150), C152(H152), C153(H153), C154(H154),
 C155(H155), C156(H156), C160(H160), C161(H161), C162(H162), C163(H163),
 C164(H164), C165(H165), C166(H166), C167(H167), C169(H169), C170(H170),
 C171(H171), C173(H173), C174(H174), C175(H175), C176(H176), C177(H177),
 C178(H178), C180(H180), C181(H181), C182(H182), C183(H183), C184(H184),
 C185(H185), C187(H187), C188(H188), C191(H191), C192(H192), C194(H194),
 C195(H195), C196(H196), C198(H198), C199(H199), C200(H200), C201(H201),
 C202(H202), C204(H204), C205(H205), C206(H206), C207(H207), C208(H208),
 C0AA(H0AA), C1AA(H1AA), C3AA(H3AA), C5AA(H5AA), C6AA(H6AA), C8AA(H8AA),
 C9AA(H9AA), C0BA(H0BA), C1BA(H1BA), C2BA(H2BA)
6.b Fitted hexagon refined as free rotating group:
 C59(C60,C61,C62,C63,C58), C80(C81,C82,C83,C84,C85), C100(C101,C102,C103,C104,
 C105), C144(C145,C146,C147,C148,C149), C151(C152,C153,C154,C155,C156),
 C159(C160,C161,C162,C163,C164), C165(C166,C167,C168,C169,C170), C171(C172,C173,
 C174,C175,C176), C177(C178,C179,C180,C181,C182), C183(C184,C185,C186,C187,
 C188), C191(C192,C193,C194,C195,C196), C198(C199,C200,C201,C202,C203)
6.c Idealised Me refined as rotating group:
 C33(H33A,H33B,H33C), C34(H34A,H34B,H34C), C37(H37A,H37B,H37C), C40(H40A,H40B,
 H40C), C41(H41A,H41B,H41C), C47(H47A,H47B,H47C), C50(H50A,H50B,H50C), C65(H65A,
 H65B,H65C), C70(H70A,H70B,H70C), C77(H77A,H77B,H77C), C94(H94A,H94B,H94C),
 C111(H11A,H11B,H11C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_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
Ag1 Ag 0.59273(2) 0.31398(2) 0.41297(2) 0.05912(9) Uani 1 1 d . . . . .
Ag2 Ag 0.68827(2) 0.23655(2) 0.61594(2) 0.06051(9) Uani 1 1 d . . . . .
Ag3 Ag 0.57690(2) 0.23337(2) 0.70452(2) 0.06204(10) Uani 1 1 d . . . . .
Ag4 Ag 0.64366(2) 0.34846(2) 0.67612(2) 0.06437(10) Uani 1 1 d . . . . .
Ag5 Ag 0.47832(2) 0.25495(2) 0.59165(2) 0.06276(10) Uani 1 1 d . . . . .
Ag6 Ag 0.45546(2) 0.47166(2) 0.34362(2) 0.06322(10) Uani 1 1 d . . . . .
Ag7 Ag 0.43145(2) 0.36416(2) 0.66027(2) 0.06535(10) Uani 1 1 d . . . . .
Ag8 Ag 0.60896(2) 0.46659(2) 0.35106(2) 0.06601(10) Uani 1 1 d . . . . .
Ag9 Ag 0.43742(2) 0.32741(2) 0.43577(2) 0.06586(10) Uani 1 1 d . . . . .
Ag10 Ag 0.72351(2) 0.30849(2) 0.46300(2) 0.06874(11) Uani 1 1 d . . . . .
Ag11 Ag 0.71794(2) 0.38874(2) 0.54477(2) 0.06783(10) Uani 1 1 d . . . . .
Ag12 Ag 0.35304(2) 0.41171(2) 0.52143(2) 0.06888(11) Uani 1 1 d . . . . .
S1 S 0.49114(7) 0.58745(6) 0.28891(5) 0.0558(3) Uani 1 1 d . . . . .
S2 S 0.67194(6) 0.46797(7) 0.61270(6) 0.0591(3) Uani 1 1 d . . . . .
S3 S 0.60108(7) 0.22720(7) 0.54573(6) 0.0580(3) Uani 1 1 d . . . . .
S4 S 0.31656(7) 0.48918(7) 0.58977(7) 0.0623(3) Uani 1 1 d . . . . .
C4AA C 0.6861(3) 0.2150(3) 0.7300(2) 0.0580(11) Uani 1 1 d . . . . .
C2 C 0.6814(3) 0.3481(3) 0.3561(3) 0.0611(12) Uani 1 1 d . . . . .
C3 C 0.4874(3) 0.3555(3) 0.3417(2) 0.0582(11) Uani 1 1 d . . . . .
C4 C 0.4455(3) 0.1884(3) 0.7490(3) 0.0631(12) Uani 1 1 d . . . . .
C5 C 0.4732(3) 0.2302(3) 0.7084(3) 0.0604(12) Uani 1 1 d . . . . .
C6 C 0.8400(3) 0.2137(3) 0.6007(3) 0.0595(11) Uani 1 1 d . . . . .
C7 C 0.4148(3) 0.1402(3) 0.8021(3) 0.0688(13) Uani 1 1 d . . . . .
C8 C 0.7182(3) 0.3440(3) 0.3096(3) 0.0636(12) Uani 1 1 d . . . . .
C9 C 0.7842(3) 0.2630(3) 0.5622(3) 0.0613(12) Uani 1 1 d . . . . .
C10 C 0.4940(3) 0.6213(3) 0.1925(3) 0.0755(15) Uani 1 1 d . . . . .
C11 C 0.7241(3) 0.1693(3) 0.7873(3) 0.0621(12) Uani 1 1 d . . . . .
C12 C 0.3353(3) 0.2723(3) 0.5129(3) 0.0682(13) Uani 1 1 d . . . . .
C13 C 0.6426(3) 0.1222(3) 0.5625(3) 0.0733(14) Uani 1 1 d . . . . .
C14 C 0.3746(3) 0.2971(3) 0.5234(3) 0.0649(12) Uani 1 1 d . . . . .
C15 C 0.5887(11) 0.2131(8) 0.2732(10) 0.073(6) Uani 0.537(6) 1 d D U P A 1
C16 C 0.8032(3) 0.1607(3) 0.8750(3) 0.0735(14) Uani 1 1 d . . . . .
C17 C 0.7451(4) 0.0011(4) 0.8822(3) 0.0900(18) Uani 1 1 d . . . . .
C18 C 0.4222(3) 0.0703(3) 0.8085(3) 0.0784(16) Uani 1 1 d . . . . .
C19 C 0.7486(3) 0.4497(3) 0.6709(3) 0.0764(15) Uani 1 1 d . . . . .
C20 C 0.3750(4) 0.1735(3) 0.8489(3) 0.0787(15) Uani 1 1 d . . . . .
C21 C 0.7699(3) 0.1190(3) 0.8550(3) 0.0702(14) Uani 1 1 d . . . . .
C22 C 0.8530(3) 0.2074(3) 0.3337(3) 0.0757(15) Uani 1 1 d . . . . .
C23 C 0.7596(3) 0.3426(3) 0.2529(3) 0.0755(15) Uani 1 1 d . . . . .
C24 C 0.8451(3) 0.1960(4) 0.8304(3) 0.0842(17) Uani 1 1 d . . . . .
H24 H 0.8527 0.1942 0.7879 0.101 Uiso 1 1 calc R . . . .
C25 C 0.2361(3) 0.4775(4) 0.6328(4) 0.0818(17) Uani 1 1 d . . . . .
C26 C 0.4963(3) 0.3438(3) 0.2915(3) 0.0748(15) Uani 1 1 d . . . . .
C27 C 0.4019(3) 0.0138(3) 0.8721(3) 0.0849(17) Uani 1 1 d . . . . .
C28 C 0.7303(4) 0.4177(4) 0.1831(3) 0.0911(19) Uani 1 1 d . U . . .
C29 C 0.7817(3) 0.0411(4) 0.8976(3) 0.0835(17) Uani 1 1 d D . . . .
C30 C 0.6716(4) 0.0385(4) 0.8536(3) 0.096(2) Uani 1 1 d . . . . .
H30 H 0.6437 0.0912 0.8437 0.115 Uiso 1 1 calc R . . . .
C31 C 0.5985(9) 0.1373(9) 0.2905(10) 0.075(4) Uani 0.537(6) 1 d . U P A 1
H31 H 0.5677 0.1306 0.2665 0.090 Uiso 0.537(6) 1 calc R . P A 1
C32 C 0.4513(4) 0.0430(3) 0.7556(4) 0.0854(17) Uani 1 1 d . . . . .
C33 C 0.7191(3) 0.1036(3) 0.5442(3) 0.0880(18) Uani 1 1 d . . . . .
H33A H 0.7179 0.1430 0.4970 0.132 Uiso 1 1 calc GR . . . .
H33B H 0.7403 0.0517 0.5469 0.132 Uiso 1 1 calc GR . . . .
H33C H 0.7478 0.1044 0.5770 0.132 Uiso 1 1 calc GR . . . .
C34 C 0.5953(4) 0.1161(4) 0.5146(3) 0.0892(18) Uani 1 1 d . . . . .
H34A H 0.5472 0.1283 0.5276 0.134 Uiso 1 1 calc GR . . . .
H34B H 0.6165 0.0629 0.5202 0.134 Uiso 1 1 calc GR . . . .
H34C H 0.5928 0.1534 0.4660 0.134 Uiso 1 1 calc GR . . . .
C35 C 0.8700(3) 0.2148(4) 0.3904(3) 0.0889(18) Uani 1 1 d . . . . .
H35 H 0.8636 0.2646 0.3833 0.107 Uiso 1 1 calc R . . . .
C36 C 0.6372(9) 0.2234(8) 0.3031(8) 0.068(3) Uani 0.537(6) 1 d . U P A 1
H36 H 0.6325 0.2746 0.2891 0.082 Uiso 0.537(6) 1 calc R . P A 1
C37 C 0.8181(3) 0.3911(4) 0.6644(4) 0.099(2) Uani 1 1 d . . . . .
H37A H 0.8138 0.3427 0.6764 0.148 Uiso 1 1 calc GR . . . .
H37B H 0.8569 0.3796 0.6961 0.148 Uiso 1 1 calc GR . . . .
H37C H 0.8284 0.4132 0.6166 0.148 Uiso 1 1 calc GR . . . .
C38 C 0.8209(3) 0.2779(3) 0.2617(3) 0.0787(15) Uani 1 1 d . . . . .
C39 C 0.4278(4) 0.0920(4) 0.6833(4) 0.096(2) Uani 1 1 d . . . . .
H39 H 0.3929 0.1443 0.6671 0.115 Uiso 1 1 calc R . . . .
C40 C 0.6420(4) 0.0702(3) 0.6413(3) 0.096(2) Uani 1 1 d . . . . .
H40A H 0.6688 0.0785 0.6695 0.144 Uiso 1 1 calc GR . . . .
H40B H 0.6640 0.0150 0.6524 0.144 Uiso 1 1 calc GR . . . .
H40C H 0.5927 0.0847 0.6512 0.144 Uiso 1 1 calc GR . . . .
C41 C 0.4398(4) 0.7071(4) 0.1544(3) 0.106(2) Uani 1 1 d . . . . .
H41A H 0.3915 0.7105 0.1603 0.159 Uiso 1 1 calc GR . . . .
H41B H 0.4445 0.7291 0.1049 0.159 Uiso 1 1 calc GR . . . .
H41C H 0.4487 0.7367 0.1736 0.159 Uiso 1 1 calc GR . . . .
C43 C 0.9057(4) 0.0750(4) 0.4675(4) 0.107(2) Uani 1 1 d . . . . .
H43 H 0.9220 0.0309 0.5124 0.128 Uiso 1 1 calc R . . . .
C44 C 0.8661(3) 0.1320(4) 0.3449(4) 0.0890(18) Uani 1 1 d . . . . .
H44 H 0.8581 0.1253 0.3066 0.107 Uiso 1 1 calc R . . . .
C45 C 0.8590(3) 0.2714(4) 0.2010(3) 0.0873(18) Uani 1 1 d D U . . .
C46 C 0.3582(4) -0.0189(4) 0.8629(4) 0.110(2) Uani 1 1 d . . . . .
H46 H 0.3416 -0.0062 0.8177 0.132 Uiso 1 1 calc R . . . .
C47 C 0.4809(4) 0.5679(4) 0.1724(3) 0.104(2) Uani 1 1 d . . . . .
H47A H 0.5153 0.5137 0.2014 0.156 Uiso 1 1 calc GR . . . .
H47B H 0.4866 0.5832 0.1235 0.156 Uiso 1 1 calc GR . . . .
H47C H 0.4324 0.5723 0.1794 0.156 Uiso 1 1 calc GR . . . .
C48 C 0.8907(4) 0.0670(4) 0.4107(4) 0.104(2) Uani 1 1 d . . . . .
H48 H 0.8973 0.0174 0.4172 0.125 Uiso 1 1 calc R . . . .
C49 C 0.8754(4) 0.2337(4) 0.8491(4) 0.099(2) Uani 1 1 d . . . . .
H49 H 0.9036 0.2571 0.8194 0.118 Uiso 1 1 calc R . . . .
C50 C 0.7305(4) 0.4143(5) 0.7480(4) 0.111(2) Uani 1 1 d . . . . .
H50A H 0.6845 0.4514 0.7511 0.166 Uiso 1 1 calc GR . . . .
H50B H 0.7678 0.4047 0.7801 0.166 Uiso 1 1 calc GR . . . .
H50C H 0.7280 0.3649 0.7604 0.166 Uiso 1 1 calc GR . . . .
C51 C 0.6999(9) 0.0822(10) 0.3755(8) 0.077(4) Uani 0.537(6) 1 d . U P A 1
H51 H 0.7359 0.0387 0.4123 0.092 Uiso 0.537(6) 1 calc R . P A 1
C52 C 0.8964(4) 0.1498(5) 0.4576(4) 0.104(2) Uani 1 1 d . . . . .
H52 H 0.9077 0.1557 0.4952 0.125 Uiso 1 1 calc R . . . .
C53 C 0.4277(4) -0.0083(4) 0.9392(4) 0.106(2) Uani 1 1 d . . . . .
H53 H 0.4576 0.0127 0.9453 0.127 Uiso 1 1 calc R . . . .
C54 C 0.6628(4) 0.4424(4) 0.1472(4) 0.106(2) Uani 1 1 d . U . . .
H54 H 0.6339 0.4151 0.1674 0.127 Uiso 1 1 calc R . . . .
C55 C 0.5043(4) -0.0363(4) 0.7784(5) 0.104(2) Uani 1 1 d . . . . .
H55 H 0.5201 -0.0708 0.8265 0.125 Uiso 1 1 calc R . . . .
C56 C 0.4064(5) 0.1979(5) 0.8827(4) 0.114(2) Uani 1 1 d . . . . .
H56 H 0.4530 0.1947 0.8753 0.136 Uiso 1 1 calc R . . . .
C57 C 0.2009(13) 0.2956(11) 0.5892(10) 0.095(8) Uani 0.490(11) 1 d D U P B 1
H57 H 0.1988 0.3411 0.5488 0.114 Uiso 0.490(11) 1 calc R . P B 1
C59 C 0.1361(7) 0.2403(8) 0.4829(8) 0.131(7) Uani 0.510(11) 1 d . U P B 2
H59 H 0.1232 0.2828 0.4925 0.157 Uiso 0.510(11) 1 calc R . P B 2
C60 C 0.0832(5) 0.2190(8) 0.4725(8) 0.138(7) Uani 0.510(11) 1 d G U P B 2
H60 H 0.0348 0.2473 0.4751 0.165 Uiso 0.510(11) 1 calc R . P B 2
C61 C 0.1025(6) 0.1556(8) 0.4581(8) 0.100(5) Uani 0.510(11) 1 d G U P B 2
H61 H 0.0671 0.1413 0.4511 0.121 Uiso 0.510(11) 1 calc R . P B 2
C62 C 0.1747(6) 0.1134(6) 0.4541(7) 0.085(4) Uani 0.510(11) 1 d G U P B 2
H62 H 0.1877 0.0709 0.4445 0.103 Uiso 0.510(11) 1 calc R . P B 2
C63 C 0.2277(5) 0.1346(8) 0.4646(8) 0.083(4) Uani 0.510(11) 1 d G U P B 2
H63 H 0.2760 0.1064 0.4619 0.099 Uiso 0.510(11) 1 calc R . P B 2
C58 C 0.2084(7) 0.1981(8) 0.4790(9) 0.093(6) Uani 0.510(11) 1 d G U P B 2
C64 C 0.7927(4) 0.1648(5) 0.9376(4) 0.097(2) Uani 1 1 d . . . . .
H64 H 0.7647 0.1413 0.9680 0.116 Uiso 1 1 calc R . . . .
C65 C 0.1839(3) 0.4887(4) 0.5790(4) 0.107(2) Uani 1 1 d . . . . .
H65A H 0.1714 0.5398 0.5378 0.160 Uiso 1 1 calc GR . . . .
H65B H 0.1406 0.4864 0.5990 0.160 Uiso 1 1 calc GR . . . .
H65C H 0.2062 0.4472 0.5657 0.160 Uiso 1 1 calc GR . . . .
C66 C 0.3044(4) 0.1830(5) 0.8586(5) 0.122(3) Uani 1 1 d . . . . .
H66 H 0.2810 0.1678 0.8358 0.146 Uiso 1 1 calc R . . . .
C67 C 0.2260(10) 0.2218(9) 0.5900(10) 0.069(4) Uani 0.490(11) 1 d D U P B 1
C68 C 0.6798(6) -0.0793(5) 0.8543(5) 0.135(3) Uani 1 1 d . . . . .
H68 H 0.6578 -0.1057 0.8446 0.161 Uiso 1 1 calc R . . . .
C69 C 0.6405(5) -0.0013(5) 0.8401(4) 0.114(3) Uani 1 1 d . . . . .
H69 H 0.5917 0.0249 0.8208 0.137 Uiso 1 1 calc R . . . .
C70 C 0.5705(4) 0.6154(5) 0.1794(3) 0.105(2) Uani 1 1 d . . . . .
H70A H 0.5813 0.6454 0.1968 0.157 Uiso 1 1 calc GR . . . .
H70B H 0.5732 0.6366 0.1295 0.157 Uiso 1 1 calc GR . . . .
H70C H 0.6050 0.5604 0.2037 0.157 Uiso 1 1 calc GR . . . .
C71 C 0.5324(5) -0.0629(5) 0.7307(6) 0.121(3) Uani 1 1 d . . . . .
H71 H 0.5681 -0.1147 0.7461 0.145 Uiso 1 1 calc R . . . .
C72 C 0.2935(10) 0.2483(11) 0.4782(7) 0.076(5) Uani 0.490(11) 1 d . U P B 1
C73 C 0.7715(5) 0.4604(5) 0.1558(5) 0.126(3) Uani 1 1 d . U . . .
H73 H 0.8145 0.4452 0.1821 0.152 Uiso 1 1 calc R . . . .
C74 C 0.2104(11) 0.1550(9) 0.7107(8) 0.082(5) Uani 0.490(11) 1 d D U P B 1
H74 H 0.2148 0.1089 0.7515 0.099 Uiso 0.490(11) 1 calc R . P B 1
C77 C 0.2599(4) 0.3985(6) 0.6960(4) 0.135(3) Uani 1 1 d . . . . .
H77A H 0.2876 0.3577 0.6829 0.202 Uiso 1 1 calc GR . . . .
H77B H 0.2180 0.3908 0.7153 0.202 Uiso 1 1 calc GR . . . .
H77C H 0.2895 0.3955 0.7308 0.202 Uiso 1 1 calc GR . . . .
C78 C 0.4548(5) 0.0652(5) 0.6364(5) 0.121(3) Uani 1 1 d . . . . .
H78 H 0.4381 0.0986 0.5882 0.145 Uiso 1 1 calc R . . . .
C79 C 0.7848(5) -0.0784(4) 0.8987(4) 0.114(2) Uani 1 1 d . . . . .
H79 H 0.8329 -0.1053 0.9199 0.137 Uiso 1 1 calc R . . . .
C80 C 0.9351(5) -0.0206(7) 0.6695(7) 0.076(4) Uani 0.463(9) 1 d . U P C 1
H80 H 0.9775 -0.0281 0.6487 0.091 Uiso 0.463(9) 1 calc R . P C 1
C81 C 0.9062(6) 0.0399(6) 0.6886(7) 0.061(4) Uani 0.463(9) 1 d DG U P C 1
C82 C 0.8428(6) 0.0511(6) 0.7197(7) 0.079(6) Uani 0.463(9) 1 d G U P C 1
H82 H 0.8235 0.0916 0.7324 0.095 Uiso 0.463(9) 1 calc R . P C 1
C83 C 0.8084(6) 0.0018(7) 0.7318(6) 0.083(4) Uani 0.463(9) 1 d G U P C 1
H83 H 0.7660 0.0093 0.7527 0.099 Uiso 0.463(9) 1 calc R . P C 1
C84 C 0.8373(7) -0.0587(6) 0.7128(6) 0.090(5) Uani 0.463(9) 1 d G U P C 1
H84 H 0.8142 -0.0916 0.7209 0.108 Uiso 0.463(9) 1 calc R . P C 1
C85 C 0.9006(7) -0.0699(6) 0.6816(7) 0.085(5) Uani 0.463(9) 1 d G U P C 1
H85 H 0.9200 -0.1104 0.6689 0.102 Uiso 0.463(9) 1 calc R . P C 1
C86 C 0.6943(9) 0.1573(11) 0.3548(9) 0.081(4) Uani 0.537(6) 1 d . U P A 1
H86 H 0.7281 0.1642 0.3749 0.097 Uiso 0.537(6) 1 calc R . P A 1
C87 C 0.8235(4) 0.2925(5) 0.1381(4) 0.114(2) Uani 1 1 d D U . . .
H87 H 0.7731 0.3126 0.1321 0.137 Uiso 1 1 calc R . . . .
C88 C 0.8639(5) 0.2369(5) 0.9120(5) 0.117(3) Uani 1 1 d . . . . .
H88 H 0.8846 0.2625 0.9243 0.141 Uiso 1 1 calc R . . . .
C89 C 0.6545(9) 0.0688(9) 0.3442(9) 0.082(4) Uani 0.537(6) 1 d . U P A 1
H89 H 0.6600 0.0174 0.3574 0.098 Uiso 0.537(6) 1 calc R . P A 1
C90 C 0.6399(6) 0.5106(6) 0.0787(5) 0.140(3) Uani 1 1 d . U . . .
H90 H 0.5960 0.5297 0.0519 0.168 Uiso 1 1 calc R . . . .
C91 C 0.7523(6) -0.1183(5) 0.8832(5) 0.132(3) Uani 1 1 d . . . . .
H91 H 0.7796 -0.1709 0.8923 0.159 Uiso 1 1 calc R . . . .
C92 C 0.2297(11) 0.1518(9) 0.6481(7) 0.081(4) Uani 0.490(11) 1 d D U P B 1
H92 H 0.2444 0.1048 0.6453 0.097 Uiso 0.490(11) 1 calc R . P B 1
C93 C 0.4101(5) -0.0618(5) 0.9989(4) 0.130(3) Uani 1 1 d . . . . .
H93 H 0.4295 -0.0777 1.0442 0.156 Uiso 1 1 calc R . . . .
C94 C 0.7476(5) 0.5279(5) 0.6510(5) 0.140(3) Uani 1 1 d . U . . .
H94A H 0.7647 0.5470 0.6060 0.210 Uiso 1 1 calc GR . . . .
H94B H 0.7786 0.5223 0.6864 0.210 Uiso 1 1 calc GR . . . .
H94C H 0.6988 0.5652 0.6477 0.210 Uiso 1 1 calc GR . . . .
C95 C 0.3647(5) -0.0899(5) 0.9899(5) 0.129(3) Uani 1 1 d . U . . .
H95 H 0.3499 -0.1224 1.0292 0.155 Uiso 1 1 calc R . . . .
C96 C 0.6859(8) 0.5460(7) 0.0552(6) 0.160(4) Uani 1 1 d . U . . .
H96 H 0.6713 0.5892 0.0097 0.191 Uiso 1 1 calc R . . . .
C97 C 0.7476(7) 0.5288(6) 0.0866(6) 0.155(4) Uani 1 1 d . U . . .
H97 H 0.7742 0.5586 0.0657 0.186 Uiso 1 1 calc R . . . .
C98 C 0.3399(5) -0.0708(5) 0.9226(6) 0.141(3) Uani 1 1 d . U . . .
H98 H 0.3108 -0.0930 0.9173 0.170 Uiso 1 1 calc R . . . .
C99 C 0.2677(6) 0.2152(7) 0.9024(6) 0.157(4) Uani 1 1 d . . . . .
H99 H 0.2197 0.2228 0.9077 0.189 Uiso 1 1 calc R . . . .
C100 C 0.3704(5) 0.2244(7) 0.3933(5) 0.077(4) Uani 0.490(11) 1 d . U P B 1
H100 H 0.4103 0.1955 0.4285 0.093 Uiso 0.490(11) 1 calc R . P B 1
C101 C 0.3799(6) 0.2312(8) 0.3261(6) 0.116(6) Uani 0.490(11) 1 d G U P B 1
H101 H 0.4261 0.2068 0.3163 0.139 Uiso 0.490(11) 1 calc R . P B 1
C102 C 0.3202(8) 0.2745(9) 0.2736(5) 0.134(8) Uani 0.490(11) 1 d G U P B 1
H102 H 0.3265 0.2791 0.2286 0.160 Uiso 0.490(11) 1 calc R . P B 1
C103 C 0.2511(7) 0.3110(7) 0.2883(5) 0.124(6) Uani 0.490(11) 1 d G U P B 1
H103 H 0.2112 0.3400 0.2531 0.149 Uiso 0.490(11) 1 calc R . P B 1
C104 C 0.2417(5) 0.3042(6) 0.3555(6) 0.094(4) Uani 0.490(11) 1 d G U P B 1
H104 H 0.1954 0.3286 0.3653 0.113 Uiso 0.490(11) 1 calc R . P B 1
C105 C 0.3013(5) 0.2609(7) 0.4080(4) 0.072(4) Uani 0.490(11) 1 d G U P B 1
C106 C 0.9333(4) 0.2422(5) 0.2076(4) 0.128(3) Uani 1 1 d D U . . .
H106 H 0.9588 0.2270 0.2498 0.154 Uiso 1 1 calc R . . . .
C107 C 0.5081(6) -0.0133(6) 0.6605(7) 0.138(4) Uani 1 1 d . . . . .
H107 H 0.5271 -0.0316 0.6280 0.166 Uiso 1 1 calc R . . . .
C108 C 0.1790(10) 0.2979(10) 0.6518(8) 0.086(5) Uani 0.490(11) 1 d D U P B 1
H108 H 0.1609 0.3459 0.6535 0.103 Uiso 0.490(11) 1 calc R . P B 1
C109 C 0.9353(5) 0.2545(6) 0.0919(5) 0.155(4) Uani 1 1 d D U . . .
H109 H 0.9609 0.2478 0.0561 0.186 Uiso 1 1 calc R . . . .
C110 C 0.8228(5) 0.2032(6) 0.9560(5) 0.122(3) Uani 1 1 d . . . . .
H110 H 0.8151 0.2059 0.9981 0.147 Uiso 1 1 calc R . . . .
C111 C 0.2005(5) 0.5465(6) 0.6511(6) 0.166(4) Uani 1 1 d . U . . .
H11A H 0.2328 0.5392 0.6866 0.250 Uiso 1 1 calc GR . . . .
H11B H 0.1557 0.5471 0.6689 0.250 Uiso 1 1 calc GR . . . .
H11C H 0.1909 0.5963 0.6093 0.250 Uiso 1 1 calc GR . . . .
C112 C 0.9463(6) 0.0881(6) 0.6795(6) 0.057(3) Uani 0.463(9) 1 d D . P C 1
C113 C 0.3697(7) 0.2276(7) 0.9280(6) 0.159(4) Uani 1 1 d . . . . .
H113 H 0.3922 0.2421 0.9521 0.191 Uiso 1 1 calc R . . . .
C114 C 0.3013(7) 0.2347(6) 0.9364(6) 0.144(3) Uani 1 1 d . U . . .
H114 H 0.2770 0.2540 0.9669 0.173 Uiso 1 1 calc R . . . .
C115 C 0.8605(5) 0.2848(6) 0.0830(5) 0.138(3) Uani 1 1 d D U . . .
H115 H 0.8351 0.2999 0.0408 0.166 Uiso 1 1 calc R . . . .
C116 C 0.9714(5) 0.2345(6) 0.1536(5) 0.146(3) Uani 1 1 d D U . . .
H116 H 1.0218 0.2156 0.1593 0.175 Uiso 1 1 calc R . . . .
C117 C 0.1844(9) 0.2280(9) 0.7117(8) 0.086(4) Uani 0.490(11) 1 d D U P B 1
H117 H 0.1704 0.2299 0.7533 0.103 Uiso 0.490(11) 1 calc R . P B 1
C119 C 0.2444(8) 0.2182(9) 0.5247(7) 0.073(4) Uani 0.490(11) 1 d . U P B 1
C121 C 0.5315(7) 0.2837(6) 0.2140(6) 0.077(3) Uani 0.537(6) 1 d D U P A 1
C122 C 0.5150(7) 0.2777(6) 0.1517(6) 0.080(3) Uani 0.537(6) 1 d . U P A 1
C124 C 0.5024(10) 0.2489(8) 0.0414(8) 0.111(5) Uani 0.537(6) 1 d . U P A 1
H124 H 0.4977 0.2376 0.0053 0.133 Uiso 0.537(6) 1 calc R . P A 1
C125 C 0.4524(7) 0.2778(7) 0.1328(6) 0.089(3) Uani 0.537(6) 1 d . U P A 1
H125 H 0.4134 0.2883 0.1577 0.107 Uiso 0.537(6) 1 calc R . P A 1
C126 C 0.4451(8) 0.2626(8) 0.0773(7) 0.103(4) Uani 0.537(6) 1 d . U P A 1
H126 H 0.4024 0.2619 0.0656 0.124 Uiso 0.537(6) 1 calc R . P A 1
C127 C 0.9598(8) 0.1424(8) 0.6675(7) 0.084(4) Uani 0.537(9) 1 d D . P C 2
C128 C 0.5211(7) 0.3103(8) 0.0840(6) 0.081(4) Uani 0.463(6) 1 d D U P A 2
H128 H 0.4717 0.3243 0.0861 0.097 Uiso 0.463(6) 1 calc R . P A 2
C129 C 0.6376(6) 0.2806(8) 0.1318(6) 0.089(4) Uani 0.463(6) 1 d D U P A 2
H129 H 0.6667 0.2745 0.1673 0.107 Uiso 0.463(6) 1 calc R . P A 2
C130 C 0.5635(6) 0.3066(8) 0.1335(6) 0.078(4) Uani 0.463(6) 1 d D U P A 2
C131 C 0.6698(8) 0.2634(8) 0.0793(7) 0.097(4) Uani 0.463(6) 1 d D U P A 2
H131 H 0.7193 0.2492 0.0774 0.116 Uiso 0.463(6) 1 calc R . P A 2
C132 C 0.5744(9) 0.2644(9) 0.1120(8) 0.108(4) Uani 0.537(6) 1 d . U P A 1
H132 H 0.6174 0.2648 0.1231 0.129 Uiso 0.537(6) 1 calc R . P A 1
C133 C 0.6266(8) 0.2679(10) 0.0295(9) 0.114(5) Uani 0.463(6) 1 d D U P A 2
H133 H 0.6473 0.2539 -0.0051 0.136 Uiso 0.463(6) 1 calc R . P A 2
C134 C 0.5389(7) 0.3006(8) 0.2476(7) 0.085(4) Uani 0.463(6) 1 d D U P A 2
C135 C 0.5165(9) 0.3437(11) 0.1842(9) 0.100(5) Uani 0.463(6) 1 d . U P A 2
C136 C 0.4846(6) 0.3487(6) 0.2242(5) 0.069(3) Uani 0.537(6) 1 d D U P A 1
C137 C 0.5528(8) 0.2931(12) 0.0314(8) 0.102(6) Uani 0.463(6) 1 d D U P A 2
H137 H 0.5237 0.2985 -0.0037 0.122 Uiso 0.463(6) 1 calc R . P A 2
C138 C 0.5651(11) 0.2501(11) 0.0535(8) 0.109(5) Uani 0.537(6) 1 d . U P A 1
H138 H 0.6017 0.2422 0.0255 0.131 Uiso 0.537(6) 1 calc R . P A 1
C139 C 0.4234(10) 0.4178(8) 0.1669(8) 0.081(4) Uani 0.537(6) 1 d D U P A 1
C140 C 0.3512(10) 0.4427(10) 0.1816(9) 0.109(5) Uani 0.537(6) 1 d . U P A 1
H140 H 0.3412 0.4159 0.2270 0.131 Uiso 0.537(6) 1 calc R . P A 1
C141 C 0.4390(8) 0.4653(8) 0.0995(7) 0.085(4) Uani 0.537(6) 1 d . U P A 1
H141 H 0.4864 0.4498 0.0891 0.102 Uiso 0.537(6) 1 calc R . P A 1
C142 C 0.3819(10) 0.5362(9) 0.0484(8) 0.098(4) Uani 0.537(6) 1 d . U P A 1
H142 H 0.3893 0.5707 0.0047 0.118 Uiso 0.537(6) 1 calc R . P A 1
C143 C 0.3164(10) 0.5481(10) 0.0700(10) 0.111(5) Uani 0.537(6) 1 d . U P A 1
H143 H 0.2780 0.5940 0.0376 0.133 Uiso 0.537(6) 1 calc R . P A 1
C144 C 0.3432(7) 0.5696(6) 0.0591(7) 0.111(7) Uani 0.463(6) 1 d . U P A 2
H144 H 0.3054 0.6181 0.0292 0.134 Uiso 0.463(6) 1 calc R . P A 2
C145 C 0.3297(6) 0.5162(9) 0.1216(8) 0.119(7) Uani 0.463(6) 1 d G U P A 2
H145 H 0.2828 0.5290 0.1334 0.142 Uiso 0.463(6) 1 calc R . P A 2
C146 C 0.3863(8) 0.4438(8) 0.1664(6) 0.091(6) Uani 0.463(6) 1 d G U P A 2
H146 H 0.3772 0.4081 0.2082 0.109 Uiso 0.463(6) 1 calc R . P A 2
C147 C 0.4564(6) 0.4247(6) 0.1487(6) 0.073(4) Uani 0.463(6) 1 d G U P A 2
C148 C 0.4700(6) 0.4781(8) 0.0863(7) 0.108(7) Uani 0.463(6) 1 d G U P A 2
H148 H 0.5169 0.4653 0.0744 0.130 Uiso 0.463(6) 1 calc R . P A 2
C149 C 0.4134(9) 0.5505(7) 0.0415(6) 0.109(6) Uani 0.463(6) 1 d G U P A 2
H149 H 0.4224 0.5862 -0.0003 0.130 Uiso 0.463(6) 1 calc R . P A 2
C150 C 0.2969(11) 0.5042(11) 0.1311(11) 0.127(6) Uani 0.537(6) 1 d . U P A 1
H150 H 0.2484 0.5163 0.1376 0.153 Uiso 0.537(6) 1 calc R . P A 1
C151 C 0.5986(9) 0.2152(6) 0.2798(9) 0.072(8) Uani 0.463(6) 1 d D U P A 2
C152 C 0.5858(7) 0.1574(10) 0.2741(8) 0.080(6) Uani 0.463(6) 1 d G U P A 2
H152 H 0.5463 0.1725 0.2434 0.096 Uiso 0.463(6) 1 calc R . P A 2
C153 C 0.6322(9) 0.0771(8) 0.3144(8) 0.083(4) Uani 0.463(6) 1 d G U P A 2
H153 H 0.6236 0.0384 0.3106 0.100 Uiso 0.463(6) 1 calc R . P A 2
C154 C 0.6913(7) 0.0545(6) 0.3603(7) 0.098(5) Uani 0.463(6) 1 d G U P A 2
H154 H 0.7223 0.0008 0.3872 0.117 Uiso 0.463(6) 1 calc R . P A 2
C155 C 0.7041(7) 0.1124(11) 0.3659(7) 0.080(5) Uani 0.463(6) 1 d G U P A 2
H155 H 0.7436 0.0973 0.3967 0.096 Uiso 0.463(6) 1 calc R . P A 2
C156 C 0.6577(9) 0.1927(9) 0.3257(9) 0.076(5) Uani 0.463(6) 1 d G U P A 2
H156 H 0.6663 0.2314 0.3295 0.091 Uiso 0.463(6) 1 calc R . P A 2
C157 C 0.9031(11) 0.1384(10) 0.6475(10) 0.081(5) Uani 0.537(9) 1 d D . P C 2
C158 C 0.9125(9) 0.1704(9) 0.6423(9) 0.059(4) Uani 0.463(9) 1 d D . P C 1
C159 C 0.9487(8) 0.2215(7) 0.6406(6) 0.074(5) Uani 0.463(9) 1 d D U P C 1
C160 C 0.9454(7) 0.2844(7) 0.5755(5) 0.069(4) Uani 0.463(9) 1 d G U P C 1
H160 H 0.9239 0.2921 0.5345 0.083 Uiso 0.463(9) 1 calc R . P C 1
C161 C 0.9742(7) 0.3359(6) 0.5717(5) 0.079(4) Uani 0.463(9) 1 d G U P C 1
H161 H 0.9720 0.3781 0.5281 0.095 Uiso 0.463(9) 1 calc R . P C 1
C162 C 1.0063(6) 0.3244(7) 0.6330(6) 0.084(4) Uani 0.463(9) 1 d G U P C 1
H162 H 1.0256 0.3589 0.6305 0.100 Uiso 0.463(9) 1 calc R . P C 1
C163 C 1.0096(6) 0.2614(8) 0.6981(5) 0.086(4) Uani 0.463(9) 1 d G U P C 1
H163 H 1.0311 0.2537 0.7392 0.104 Uiso 0.463(9) 1 calc R . P C 1
C164 C 0.9808(7) 0.2099(6) 0.7019(5) 0.089(5) Uani 0.463(9) 1 d G U P C 1
H164 H 0.9830 0.1678 0.7455 0.107 Uiso 0.463(9) 1 calc R . P C 1
C165 C 0.9974(8) 0.3521(8) 0.5869(10) 0.133(7) Uani 0.537(9) 1 d . U P C 2
H165 H 1.0078 0.3962 0.5712 0.160 Uiso 0.537(9) 1 calc R . P C 2
C166 C 1.0083(8) 0.2995(10) 0.6589(9) 0.148(8) Uani 0.537(9) 1 d G U P C 2
H166 H 1.0261 0.3083 0.6914 0.178 Uiso 0.537(9) 1 calc R . P C 2
C167 C 0.9927(8) 0.2337(9) 0.6823(7) 0.117(6) Uani 0.537(9) 1 d G U P C 2
H167 H 1.0001 0.1985 0.7305 0.141 Uiso 0.537(9) 1 calc R . P C 2
C168 C 0.9661(9) 0.2206(7) 0.6337(9) 0.090(5) Uani 0.537(9) 1 d DG U P C 2
C169 C 0.9552(9) 0.2732(9) 0.5617(8) 0.130(8) Uani 0.537(9) 1 d G U P C 2
H169 H 0.9374 0.2644 0.5292 0.156 Uiso 0.537(9) 1 calc R . P C 2
C170 C 0.9708(8) 0.3390(8) 0.5383(7) 0.136(7) Uani 0.537(9) 1 d G U P C 2
H170 H 0.9634 0.3742 0.4901 0.163 Uiso 0.537(9) 1 calc R . P C 2
C171 C 1.0914(5) 0.0526(5) 0.7030(5) 0.088(4) Uani 0.537(9) 1 d . U P C 2
H171 H 1.0992 0.0858 0.6588 0.105 Uiso 0.537(9) 1 calc R . P C 2
C172 C 1.0212(4) 0.0697(5) 0.7203(5) 0.085(4) Uani 0.537(9) 1 d G U P C 2
C173 C 1.0095(5) 0.0201(7) 0.7863(5) 0.108(5) Uani 0.537(9) 1 d G U P C 2
H173 H 0.9625 0.0315 0.7978 0.129 Uiso 0.537(9) 1 calc R . P C 2
C174 C 1.0680(7) -0.0465(6) 0.8350(4) 0.135(6) Uani 0.537(9) 1 d G U P C 2
H174 H 1.0602 -0.0796 0.8791 0.161 Uiso 0.537(9) 1 calc R . P C 2
C175 C 1.1382(5) -0.0635(6) 0.8177(5) 0.128(6) Uani 0.537(9) 1 d G U P C 2
H175 H 1.1774 -0.1081 0.8503 0.153 Uiso 0.537(9) 1 calc R . P C 2
C176 C 1.1499(4) -0.0140(7) 0.7517(6) 0.103(5) Uani 0.537(9) 1 d G U P C 2
H176 H 1.1969 -0.0254 0.7401 0.124 Uiso 0.537(9) 1 calc R . P C 2
C177 C 1.1489(5) 0.0148(8) 0.7001(7) 0.122(5) Uani 0.463(9) 1 d . U P C 1
H177 H 1.1845 0.0267 0.6738 0.146 Uiso 0.463(9) 1 calc R . P C 1
C178 C 1.0760(6) 0.0601(6) 0.6709(5) 0.093(5) Uani 0.463(9) 1 d G U P C 1
H178 H 1.0629 0.1024 0.6250 0.112 Uiso 0.463(9) 1 calc R . P C 1
C179 C 1.0227(4) 0.0423(6) 0.7103(5) 0.064(3) Uani 0.463(9) 1 d G U P C 1
C180 C 1.0423(6) -0.0208(6) 0.7789(5) 0.089(4) Uani 0.463(9) 1 d G U P C 1
H180 H 1.0066 -0.0327 0.8053 0.106 Uiso 0.463(9) 1 calc R . P C 1
C181 C 1.1152(6) -0.0661(6) 0.8082(5) 0.104(5) Uani 0.463(9) 1 d G U P C 1
H181 H 1.1283 -0.1084 0.8541 0.124 Uiso 0.463(9) 1 calc R . P C 1
C182 C 1.1685(4) -0.0483(8) 0.7688(8) 0.123(6) Uani 0.463(9) 1 d G U P C 1
H182 H 1.2172 -0.0786 0.7883 0.147 Uiso 0.463(9) 1 calc R . P C 1
C183 C 0.8857(8) -0.0780(5) 0.7026(6) 0.105(6) Uani 0.537(9) 1 d . U P C 2
H183 H 0.8826 -0.1255 0.7143 0.126 Uiso 0.537(9) 1 calc R . P C 2
C184 C 0.9397(7) -0.0607(5) 0.6643(6) 0.107(5) Uani 0.537(9) 1 d G U P C 2
H184 H 0.9729 -0.0966 0.6504 0.128 Uiso 0.537(9) 1 calc R . P C 2
C185 C 0.9443(5) 0.0103(6) 0.6469(6) 0.094(4) Uani 0.537(9) 1 d G U P C 2
H185 H 0.9804 0.0219 0.6213 0.113 Uiso 0.537(9) 1 calc R . P C 2
C186 C 0.8947(6) 0.0640(5) 0.6677(6) 0.072(4) Uani 0.537(9) 1 d DG U P C 2
C187 C 0.8406(6) 0.0466(5) 0.7059(6) 0.069(4) Uani 0.537(9) 1 d G U P C 2
H187 H 0.8075 0.0825 0.7198 0.082 Uiso 0.537(9) 1 calc R . P C 2
C188 C 0.8361(6) -0.0243(6) 0.7234(6) 0.096(5) Uani 0.537(9) 1 d G U P C 2
H188 H 0.7999 -0.0359 0.7489 0.115 Uiso 0.537(9) 1 calc R . P C 2
C189 C 0.2867(8) 0.2394(9) 0.5143(13) 0.091(6) Uani 0.510(11) 1 d . . P B 2
C190 C 0.2662(8) 0.2201(8) 0.4849(12) 0.120(9) Uani 0.510(11) 1 d D . P B 2
C191 C 0.2051(9) 0.1087(9) 0.4345(8) 0.126(7) Uani 0.490(11) 1 d . U P B 1
H191 H 0.2255 0.0781 0.4115 0.151 Uiso 0.490(11) 1 calc R . P B 1
C192 C 0.2462(7) 0.1364(10) 0.4556(10) 0.122(8) Uani 0.490(11) 1 d DG U P B 1
H192 H 0.2940 0.1244 0.4466 0.146 Uiso 0.490(11) 1 calc R . P B 1
C193 C 0.2157(6) 0.1820(9) 0.4900(9) 0.093(6) Uani 0.490(11) 1 d DG U P B 1
C194 C 0.1442(6) 0.1999(8) 0.5034(7) 0.097(5) Uani 0.490(11) 1 d DG U P B 1
H194 H 0.1238 0.2305 0.5265 0.116 Uiso 0.490(11) 1 calc R . P B 1
C195 C 0.1031(6) 0.1722(9) 0.4824(7) 0.105(6) Uani 0.490(11) 1 d G U P B 1
H195 H 0.0553 0.1842 0.4914 0.126 Uiso 0.490(11) 1 calc R . P B 1
C196 C 0.1336(9) 0.1266(9) 0.4479(8) 0.120(7) Uani 0.490(11) 1 d G U P B 1
H196 H 0.1061 0.1081 0.4339 0.144 Uiso 0.490(11) 1 calc R . P B 1
C197 C 0.2505(10) 0.2196(12) 0.5885(13) 0.088(6) Uani 0.510(11) 1 d D U P B 2
C198 C 0.3925(6) 0.1871(7) 0.4245(6) 0.099(5) Uani 0.510(11) 1 d . U P B 2
H198 H 0.4182 0.1544 0.4700 0.119 Uiso 0.510(11) 1 calc R . P B 2
C199 C 0.4292(6) 0.1944(7) 0.3661(7) 0.119(5) Uani 0.510(11) 1 d G U P B 2
H199 H 0.4795 0.1666 0.3725 0.143 Uiso 0.510(11) 1 calc R . P B 2
C200 C 0.3907(9) 0.2432(9) 0.2980(6) 0.142(8) Uani 0.510(11) 1 d G U P B 2
H200 H 0.4153 0.2480 0.2589 0.171 Uiso 0.510(11) 1 calc R . P B 2
C201 C 0.3155(8) 0.2847(9) 0.2884(6) 0.156(10) Uani 0.510(11) 1 d G U P B 2
H201 H 0.2898 0.3174 0.2429 0.188 Uiso 0.510(11) 1 calc R . P B 2
C202 C 0.2788(6) 0.2775(8) 0.3469(7) 0.120(6) Uani 0.510(11) 1 d G U P B 2
H202 H 0.2284 0.3053 0.3404 0.144 Uiso 0.510(11) 1 calc R . P B 2
C203 C 0.3172(6) 0.2286(8) 0.4149(6) 0.098(5) Uani 0.510(11) 1 d G U P B 2
C204 C 0.2218(12) 0.1292(14) 0.6997(12) 0.119(7) Uani 0.510(11) 1 d D U P B 2
H204 H 0.2179 0.0813 0.7270 0.143 Uiso 0.510(11) 1 calc R . P B 2
C205 C 0.1994(14) 0.1875(17) 0.7185(13) 0.120(7) Uani 0.510(11) 1 d . U P B 2
H205 H 0.1844 0.1774 0.7627 0.144 Uiso 0.510(11) 1 calc R . P B 2
C206 C 0.1978(12) 0.2629(16) 0.6738(14) 0.116(7) Uani 0.510(11) 1 d . U P B 2
H206 H 0.1826 0.3019 0.6883 0.139 Uiso 0.510(11) 1 calc R . P B 2
C207 C 0.2194(11) 0.2782(12) 0.6075(10) 0.073(4) Uani 0.510(11) 1 d . U P B 2
H207 H 0.2123 0.3300 0.5751 0.088 Uiso 0.510(11) 1 calc R . P B 2
C208 C 0.2517(14) 0.1464(14) 0.6355(13) 0.136(10) Uani 0.510(11) 1 d D U P B 2
H208 H 0.2739 0.1051 0.6240 0.163 Uiso 0.510(11) 1 calc R . P B 2
O1 O 0.53497(18) 0.3919(2) 0.57969(15) 0.0615(8) Uani 1 1 d . . . . .
O2 O 0.58685(18) 0.4224(2) 0.48569(17) 0.0632(8) Uani 1 1 d . . . . .
O3 O 0.47962(18) 0.4259(2) 0.48041(16) 0.0619(8) Uani 1 1 d . . . . .
N1 N 0.5334(2) 0.4142(2) 0.51490(18) 0.0497(8) Uani 1 1 d . . . . .
C0AA C 0.8138(12) -0.0432(14) 1.0299(9) 0.099(5) Uani 0.67(4) 1 d . U P D 2
H0AA H 0.7668 -0.0399 1.0305 0.118 Uiso 0.67(4) 1 calc R . P D 2
C1AA C 0.871(2) -0.121(2) 1.0783(19) 0.112(11) Uani 0.33(4) 1 d . U P D 1
H1AA H 0.8570 -0.1511 1.1202 0.135 Uiso 0.33(4) 1 calc R . P D 1
C2AA C 0.840(2) -0.0241(18) 0.9587(18) 0.068(9) Uani 0.33(4) 1 d D U P D 1
C3AA C 0.819(2) -0.070(2) 1.0185(19) 0.082(9) Uani 0.33(4) 1 d . U P D 1
H3AA H 0.7718 -0.0665 1.0190 0.099 Uiso 0.33(4) 1 calc R . P D 1
C5AA C 0.908(3) -0.031(2) 0.952(2) 0.081(9) Uani 0.33(4) 1 d . U P D 1
H5AA H 0.9211 -0.0028 0.9084 0.098 Uiso 0.33(4) 1 calc R . P D 1
C6AA C 0.9065(12) -0.0130(12) 0.9658(10) 0.084(5) Uani 0.67(4) 1 d . U P D 2
H6AA H 0.9222 0.0116 0.9231 0.101 Uiso 0.67(4) 1 calc R . P D 2
C7AA C 0.8343(11) -0.0030(11) 0.9656(9) 0.073(5) Uani 0.67(4) 1 d D U P D 2
C8AA C 0.8600(11) -0.0880(15) 1.0927(8) 0.128(7) Uani 0.67(4) 1 d . U P D 2
H8AA H 0.8447 -0.1145 1.1351 0.153 Uiso 0.67(4) 1 calc R . P D 2
C9AA C 0.9549(12) -0.0583(13) 1.0273(11) 0.116(6) Uani 0.67(4) 1 d . U P D 2
H9AA H 1.0032 -0.0659 1.0267 0.140 Uiso 0.67(4) 1 calc R . P D 2
C0BA C 0.960(2) -0.084(2) 1.014(2) 0.096(10) Uani 0.33(4) 1 d . U P D 1
H0BA H 1.0080 -0.0900 1.0121 0.116 Uiso 0.33(4) 1 calc R . P D 1
C1BA C 0.9393(18) -0.129(2) 1.0788(18) 0.109(11) Uani 0.33(4) 1 d . U P D 1
H1BA H 0.9723 -0.1632 1.1202 0.130 Uiso 0.33(4) 1 calc R . P D 1
C2BA C 0.9288(12) -0.0925(16) 1.0910(9) 0.132(7) Uani 0.67(4) 1 d . U P D 2
H2BA H 0.9595 -0.1193 1.1335 0.159 Uiso 0.67(4) 1 calc R . P D 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 Ag6 3.0662(5) . ?
Ag1 Ag8 2.9812(5) . ?
Ag1 Ag9 3.0798(5) . ?
Ag1 Ag10 2.8873(5) . ?
Ag1 S3 2.5484(12) . ?
Ag1 C2 2.275(5) . ?
Ag1 C3 2.333(5) . ?
Ag2 Ag3 2.8490(5) . ?
Ag2 Ag4 2.9665(5) . ?
Ag2 Ag10 3.0876(5) . ?
Ag2 Ag11 3.1181(5) . ?
Ag2 S3 2.5361(12) . ?
Ag2 C4AA 2.278(4) . ?
Ag2 C9 2.325(5) . ?
Ag3 Ag4 3.0298(5) . ?
Ag3 Ag5 3.0179(5) . ?
Ag3 Ag7 2.9172(5) . ?
Ag3 C4AA 2.164(5) . ?
Ag3 C5 2.134(5) . ?
Ag4 Ag6 3.2792(5) 2_666 ?
Ag4 Ag11 3.0264(6) . ?
Ag4 S1 2.7353(12) 2_666 ?
Ag4 S2 2.5136(13) . ?
Ag4 C4AA 2.243(5) . ?
Ag5 Ag7 3.0595(5) . ?
Ag5 Ag9 2.9855(5) . ?
Ag5 Ag12 2.9406(5) . ?
Ag5 S3 2.5531(13) . ?
Ag5 C5 2.319(5) . ?
Ag5 C14 2.268(5) . ?
Ag6 Ag4 3.2793(5) 2_666 ?
Ag6 Ag8 3.0983(6) . ?
Ag6 Ag9 2.8975(5) . ?
Ag6 S1 2.5349(12) . ?
Ag6 S2 2.6886(13) 2_666 ?
Ag6 C3 2.253(4) . ?
Ag7 Ag8 3.1674(5) 2_666 ?
Ag7 Ag12 3.0211(6) . ?
Ag7 S1 2.6986(12) 2_666 ?
Ag7 S4 2.5388(13) . ?
Ag7 C5 2.259(5) . ?
Ag8 Ag7 3.1674(5) 2_666 ?
Ag8 Ag10 3.0510(5) . ?
Ag8 S1 2.5105(12) . ?
Ag8 S4 2.7005(13) 2_666 ?
Ag8 C2 2.252(5) . ?
Ag9 Ag12 3.0733(5) . ?
Ag9 C3 2.132(5) . ?
Ag9 C14 2.185(5) . ?
Ag10 Ag11 2.9020(5) . ?
Ag10 C2 2.158(5) . ?
Ag10 C9 2.131(5) . ?
Ag11 Ag12 3.3650(5) 2_666 ?
Ag11 S2 2.5453(12) . ?
Ag11 S4 2.7155(13) 2_666 ?
Ag11 C9 2.258(5) . ?
Ag12 Ag11 3.3650(5) 2_666 ?
Ag12 S2 2.7122(13) 2_666 ?
Ag12 S4 2.5199(12) . ?
Ag12 C14 2.225(5) . ?
S1 Ag4 2.7353(12) 2_666 ?
S1 Ag7 2.6986(12) 2_666 ?
S1 C10 1.859(5) . ?
S2 Ag6 2.6887(13) 2_666 ?
S2 Ag12 2.7122(13) 2_666 ?
S2 C19 1.875(5) . ?
S3 C13 1.854(5) . ?
S4 Ag8 2.7005(13) 2_666 ?
S4 Ag11 2.7155(13) 2_666 ?
S4 C25 1.868(6) . ?
C4AA C11 1.218(6) . ?
C2 C8 1.216(7) . ?
C3 C26 1.198(6) . ?
C4 C5 1.210(7) . ?
C4 C7 1.432(7) . ?
C6 C9 1.196(6) . ?
C6 C157 1.49(2) . ?
C6 C158 1.467(18) . ?
C7 C18 1.343(8) . ?
C7 C20 1.485(8) . ?
C8 C23 1.432(7) . ?
C10 C41 1.501(8) . ?
C10 C47 1.482(8) . ?
C10 C70 1.526(9) . ?
C11 C21 1.442(7) . ?
C12 C14 1.197(7) . ?
C12 C72 1.52(2) . ?
C12 C189 1.411(15) . ?
C13 C33 1.511(8) . ?
C13 C34 1.540(8) . ?
C13 C40 1.535(8) . ?
C15 C31 1.37(2) . ?
C15 C36 1.35(2) . ?
C15 C121 1.494(14) . ?
C16 C21 1.507(8) . ?
C16 C24 1.389(8) . ?
C16 C64 1.383(8) . ?
C17 C29 1.471(9) . ?
C17 C30 1.401(9) . ?
C17 C79 1.388(10) . ?
C18 C27 1.500(8) . ?
C18 C32 1.478(9) . ?
C19 C37 1.490(8) . ?
C19 C50 1.557(9) . ?
C19 C94 1.473(9) . ?
C20 C56 1.368(9) . ?
C20 C66 1.383(9) . ?
C21 C29 1.369(8) . ?
C22 C35 1.383(8) . ?
C22 C38 1.498(8) . ?
C22 C44 1.385(8) . ?
C23 C28 1.503(8) . ?
C23 C38 1.353(7) . ?
C24 C49 1.374(9) . ?
C25 C65 1.503(9) . ?
C25 C77 1.473(9) . ?
C25 C111 1.540(9) . ?
C26 C134 1.571(15) . ?
C26 C136 1.433(10) . ?
C27 C46 1.393(9) . ?
C27 C53 1.369(9) . ?
C28 C54 1.402(10) . ?
C28 C73 1.378(11) . ?
C29 C2AA 1.500(18) . ?
C29 C7AA 1.523(12) . ?
C30 C69 1.363(10) . ?
C31 C89 1.42(2) . ?
C32 C39 1.389(9) . ?
C32 C55 1.416(9) . ?
C35 C52 1.386(9) . ?
C36 C86 1.397(19) . ?
C38 C45 1.495(8) . ?
C39 C78 1.347(10) . ?
C43 C48 1.377(11) . ?
C43 C52 1.404(10) . ?
C44 C48 1.367(9) . ?
C45 C87 1.372(7) . ?
C45 C106 1.370(7) . ?
C46 C98 1.389(10) . ?
C49 C88 1.381(11) . ?
C51 C86 1.37(2) . ?
C51 C89 1.366(19) . ?
C53 C93 1.396(9) . ?
C54 C90 1.426(11) . ?
C55 C71 1.363(11) . ?
C56 C113 1.399(11) . ?
C57 C67 1.398(10) . ?
C57 C108 1.400(10) . ?
C59 C60 1.3900 . ?
C59 C58 1.3900 . ?
C60 C61 1.3900 . ?
C61 C62 1.3900 . ?
C62 C63 1.3900 . ?
C63 C58 1.3900 . ?
C58 C190 1.459(16) . ?
C64 C110 1.380(10) . ?
C66 C99 1.400(12) . ?
C67 C92 1.391(10) . ?
C67 C119 1.45(3) . ?
C68 C69 1.374(11) . ?
C68 C91 1.385(12) . ?
C71 C107 1.357(13) . ?
C72 C105 1.415(16) . ?
C72 C119 1.48(2) . ?
C73 C97 1.436(12) . ?
C74 C92 1.395(10) . ?
C74 C117 1.400(10) . ?
C78 C107 1.404(13) . ?
C79 C91 1.408(11) . ?
C80 C81 1.3900 . ?
C80 C85 1.3900 . ?
C81 C82 1.3900 . ?
C81 C112 1.479(11) . ?
C82 C83 1.3900 . ?
C83 C84 1.3900 . ?
C84 C85 1.3900 . ?
C87 C115 1.390(10) . ?
C88 C110 1.354(11) . ?
C90 C96 1.353(15) . ?
C93 C95 1.347(12) . ?
C95 C98 1.387(13) . ?
C96 C97 1.304(15) . ?
C99 C114 1.321(13) . ?
C100 C101 1.3900 . ?
C100 C105 1.3900 . ?
C101 C102 1.3900 . ?
C102 C103 1.3900 . ?
C103 C104 1.3900 . ?
C104 C105 1.3900 . ?
C106 C116 1.381(10) . ?
C108 C117 1.398(10) . ?
C109 C115 1.377(8) . ?
C109 C116 1.363(8) . ?
C112 C158 1.38(2) . ?
C112 C179 1.458(13) . ?
C113 C114 1.346(13) . ?
C119 C193 1.55(2) . ?
C121 C122 1.475(14) . ?
C121 C136 1.405(13) . ?
C122 C125 1.365(17) . ?
C122 C132 1.432(18) . ?
C124 C126 1.35(2) . ?
C124 C138 1.34(2) . ?
C125 C126 1.401(15) . ?
C127 C157 1.31(2) . ?
C127 C168 1.504(13) . ?
C127 C172 1.490(15) . ?
C128 C130 1.375(9) . ?
C128 C137 1.377(9) . ?
C129 C130 1.382(9) . ?
C129 C131 1.377(9) . ?
C130 C135 1.65(2) . ?
C131 C133 1.383(9) . ?
C132 C138 1.46(2) . ?
C133 C137 1.378(10) . ?
C134 C135 1.22(2) . ?
C134 C151 1.529(14) . ?
C135 C147 1.479(19) . ?
C136 C139 1.505(13) . ?
C139 C140 1.41(2) . ?
C139 C141 1.43(2) . ?
C140 C150 1.33(2) . ?
C141 C142 1.425(18) . ?
C142 C143 1.34(2) . ?
C143 C150 1.35(2) . ?
C144 C145 1.3900 . ?
C144 C149 1.3900 . ?
C145 C146 1.3900 . ?
C146 C147 1.3900 . ?
C147 C148 1.3900 . ?
C148 C149 1.3900 . ?
C151 C152 1.3900 . ?
C151 C156 1.3900 . ?
C152 C153 1.3900 . ?
C153 C154 1.3900 . ?
C154 C155 1.3900 . ?
C155 C156 1.3900 . ?
C157 C186 1.486(14) . ?
C158 C159 1.512(14) . ?
C159 C160 1.3900 . ?
C159 C164 1.3900 . ?
C160 C161 1.3900 . ?
C161 C162 1.3900 . ?
C162 C163 1.3900 . ?
C163 C164 1.3900 . ?
C165 C166 1.3900 . ?
C165 C170 1.3900 . ?
C166 C167 1.3900 . ?
C167 C168 1.3900 . ?
C168 C169 1.3900 . ?
C169 C170 1.3900 . ?
C171 C172 1.3900 . ?
C171 C176 1.3900 . ?
C172 C173 1.3900 . ?
C173 C174 1.3900 . ?
C174 C175 1.3900 . ?
C175 C176 1.3900 . ?
C177 C178 1.3900 . ?
C177 C182 1.3900 . ?
C178 C179 1.3900 . ?
C179 C180 1.3900 . ?
C180 C181 1.3900 . ?
C181 C182 1.3900 . ?
C183 C184 1.3900 . ?
C183 C188 1.3900 . ?
C184 C185 1.3900 . ?
C185 C186 1.3900 . ?
C186 C187 1.3900 . ?
C187 C188 1.3900 . ?
C189 C190 1.07(3) . ?
C189 C197 1.65(3) . ?
C190 C203 1.74(3) . ?
C191 C192 1.3900 . ?
C191 C196 1.3900 . ?
C192 C193 1.3900 . ?
C193 C194 1.3900 . ?
C194 C195 1.3900 . ?
C195 C196 1.3900 . ?
C197 C207 1.36(2) . ?
C197 C208 1.378(16) . ?
C198 C199 1.3900 . ?
C198 C203 1.3900 . ?
C199 C200 1.3900 . ?
C200 C201 1.3900 . ?
C201 C202 1.3900 . ?
C202 C203 1.3900 . ?
C204 C205 1.35(3) . ?
C204 C208 1.413(17) . ?
C205 C206 1.40(3) . ?
C206 C207 1.39(3) . ?
O1 N1 1.246(4) . ?
O2 N1 1.248(5) . ?
O3 N1 1.244(4) . ?
C0AA C7AA 1.38(3) . ?
C0AA C8AA 1.37(2) . ?
C1AA C3AA 1.39(5) . ?
C1AA C1BA 1.34(5) . ?
C2AA C3AA 1.37(6) . ?
C2AA C5AA 1.34(7) . ?
C5AA C0BA 1.42(5) . ?
C6AA C7AA 1.40(3) . ?
C6AA C9AA 1.38(2) . ?
C8AA C2BA 1.37(3) . ?
C9AA C2BA 1.40(3) . ?
C0BA C1BA 1.43(5) . ?

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
Ag6 Ag1 Ag9 56.257(12) . . ?
Ag8 Ag1 Ag6 61.620(12) . . ?
Ag8 Ag1 Ag9 115.981(15) . . ?
Ag10 Ag1 Ag6 120.692(15) . . ?
Ag10 Ag1 Ag8 62.626(13) . . ?
Ag10 Ag1 Ag9 147.770(15) . . ?
S3 Ag1 Ag6 115.96(3) . . ?
S3 Ag1 Ag8 123.21(3) . . ?
S3 Ag1 Ag9 75.24(3) . . ?
S3 Ag1 Ag10 79.94(3) . . ?
C2 Ag1 Ag6 102.90(12) . . ?
C2 Ag1 Ag8 48.47(12) . . ?
C2 Ag1 Ag9 157.29(12) . . ?
C2 Ag1 Ag10 47.61(12) . . ?
C2 Ag1 S3 126.15(12) . . ?
C2 Ag1 C3 116.59(17) . . ?
C3 Ag1 Ag6 46.94(11) . . ?
C3 Ag1 Ag8 99.98(12) . . ?
C3 Ag1 Ag9 43.73(12) . . ?
C3 Ag1 Ag10 161.42(12) . . ?
C3 Ag1 S3 117.12(12) . . ?
Ag3 Ag2 Ag4 62.759(13) . . ?
Ag3 Ag2 Ag10 146.134(16) . . ?
Ag3 Ag2 Ag11 118.787(15) . . ?
Ag4 Ag2 Ag10 113.256(15) . . ?
Ag4 Ag2 Ag11 59.593(12) . . ?
Ag10 Ag2 Ag11 55.758(12) . . ?
S3 Ag2 Ag3 79.81(3) . . ?
S3 Ag2 Ag4 124.23(3) . . ?
S3 Ag2 Ag10 76.32(3) . . ?
S3 Ag2 Ag11 117.75(3) . . ?
C4AA Ag2 Ag3 48.37(13) . . ?
C4AA Ag2 Ag4 48.47(11) . . ?
C4AA Ag2 Ag10 155.33(13) . . ?
C4AA Ag2 Ag11 100.91(12) . . ?
C4AA Ag2 S3 126.45(13) . . ?
C4AA Ag2 C9 115.76(18) . . ?
C9 Ag2 Ag3 160.08(12) . . ?
C9 Ag2 Ag4 97.97(12) . . ?
C9 Ag2 Ag10 43.60(12) . . ?
C9 Ag2 Ag11 46.22(12) . . ?
C9 Ag2 S3 117.71(12) . . ?
Ag2 Ag3 Ag4 60.519(12) . . ?
Ag2 Ag3 Ag5 90.952(14) . . ?
Ag2 Ag3 Ag7 122.171(16) . . ?
Ag5 Ag3 Ag4 122.180(15) . . ?
Ag7 Ag3 Ag4 90.559(14) . . ?
Ag7 Ag3 Ag5 62.035(12) . . ?
C4AA Ag3 Ag2 51.88(12) . . ?
C4AA Ag3 Ag4 47.65(12) . . ?
C4AA Ag3 Ag5 142.62(12) . . ?
C4AA Ag3 Ag7 137.07(12) . . ?
C5 Ag3 Ag2 140.49(13) . . ?
C5 Ag3 Ag4 140.39(13) . . ?
C5 Ag3 Ag5 49.98(13) . . ?
C5 Ag3 Ag7 50.26(13) . . ?
C5 Ag3 C4AA 164.91(18) . . ?
Ag2 Ag4 Ag3 56.723(12) . . ?
Ag2 Ag4 Ag6 148.635(15) . 2_666 ?
Ag2 Ag4 Ag11 62.694(12) . . ?
Ag3 Ag4 Ag6 121.137(16) . 2_666 ?
Ag11 Ag4 Ag3 116.057(15) . . ?
Ag11 Ag4 Ag6 100.074(14) . 2_666 ?
S1 Ag4 Ag2 125.68(3) 2_666 . ?
S1 Ag4 Ag3 73.99(3) 2_666 . ?
S1 Ag4 Ag6 48.83(3) 2_666 2_666 ?
S1 Ag4 Ag11 136.83(3) 2_666 . ?
S2 Ag4 Ag2 116.43(3) . . ?
S2 Ag4 Ag3 160.32(3) . . ?
S2 Ag4 Ag6 53.34(3) . 2_666 ?
S2 Ag4 Ag11 53.74(3) . . ?
S2 Ag4 S1 101.99(4) . 2_666 ?
C4AA Ag4 Ag2 49.50(11) . . ?
C4AA Ag4 Ag3 45.49(13) . . ?
C4AA Ag4 Ag6 155.37(12) . 2_666 ?
C4AA Ag4 Ag11 104.55(12) . . ?
C4AA Ag4 S1 109.52(13) . 2_666 ?
C4AA Ag4 S2 147.26(13) . . ?
Ag3 Ag5 Ag7 57.366(12) . . ?
Ag9 Ag5 Ag3 144.718(17) . . ?
Ag9 Ag5 Ag7 118.905(15) . . ?
Ag12 Ag5 Ag3 115.477(15) . . ?
Ag12 Ag5 Ag7 60.426(12) . . ?
Ag12 Ag5 Ag9 62.472(13) . . ?
S3 Ag5 Ag3 76.36(3) . . ?
S3 Ag5 Ag7 118.00(3) . . ?
S3 Ag5 Ag9 76.91(3) . . ?
S3 Ag5 Ag12 122.17(3) . . ?
C5 Ag5 Ag3 44.81(13) . . ?
C5 Ag5 Ag7 47.24(12) . . ?
C5 Ag5 Ag9 161.52(12) . . ?
C5 Ag5 Ag12 99.59(12) . . ?
C5 Ag5 S3 119.22(13) . . ?
C14 Ag5 Ag3 159.38(13) . . ?
C14 Ag5 Ag7 102.83(13) . . ?
C14 Ag5 Ag9 46.73(13) . . ?
C14 Ag5 Ag12 48.48(13) . . ?
C14 Ag5 S3 121.97(13) . . ?
C14 Ag5 C5 118.73(18) . . ?
Ag1 Ag6 Ag4 149.482(15) . 2_666 ?
Ag1 Ag6 Ag8 57.841(12) . . ?
Ag8 Ag6 Ag4 99.624(14) . 2_666 ?
Ag9 Ag6 Ag1 62.109(13) . . ?
Ag9 Ag6 Ag4 127.022(17) . 2_666 ?
Ag9 Ag6 Ag8 117.973(16) . . ?
S1 Ag6 Ag1 109.43(3) . . ?
S1 Ag6 Ag4 54.32(3) . 2_666 ?
S1 Ag6 Ag8 51.76(3) . . ?
S1 Ag6 Ag9 166.18(3) . . ?
S1 Ag6 S2 102.72(4) . 2_666 ?
S2 Ag6 Ag1 133.68(3) 2_666 . ?
S2 Ag6 Ag4 48.59(3) 2_666 2_666 ?
S2 Ag6 Ag8 137.33(3) 2_666 . ?
S2 Ag6 Ag9 79.11(3) 2_666 . ?
C3 Ag6 Ag1 49.16(12) . . ?
C3 Ag6 Ag4 160.69(12) . 2_666 ?
C3 Ag6 Ag8 98.50(13) . . ?
C3 Ag6 Ag9 46.86(12) . . ?
C3 Ag6 S1 137.21(13) . . ?
C3 Ag6 S2 118.31(13) . 2_666 ?
Ag3 Ag7 Ag5 60.599(12) . . ?
Ag3 Ag7 Ag8 125.228(17) . 2_666 ?
Ag3 Ag7 Ag12 116.092(15) . . ?
Ag5 Ag7 Ag8 149.761(16) . 2_666 ?
Ag12 Ag7 Ag5 57.838(12) . . ?
Ag12 Ag7 Ag8 101.237(14) . 2_666 ?
S1 Ag7 Ag3 76.40(3) 2_666 . ?
S1 Ag7 Ag5 130.95(3) 2_666 . ?
S1 Ag7 Ag8 49.90(2) 2_666 2_666 ?
S1 Ag7 Ag12 139.26(3) 2_666 . ?
S4 Ag7 Ag3 164.72(3) . . ?
S4 Ag7 Ag5 110.73(3) . . ?
S4 Ag7 Ag8 55.17(3) . 2_666 ?
S4 Ag7 Ag12 53.04(3) . . ?
S4 Ag7 S1 104.93(4) . 2_666 ?
C5 Ag7 Ag3 46.59(13) . . ?
C5 Ag7 Ag5 48.91(12) . . ?
C5 Ag7 Ag8 159.57(12) . 2_666 ?
C5 Ag7 Ag12 98.72(12) . . ?
C5 Ag7 S1 114.55(13) . 2_666 ?
C5 Ag7 S4 138.90(13) . . ?
Ag1 Ag8 Ag6 60.540(12) . . ?
Ag1 Ag8 Ag7 150.650(16) . 2_666 ?
Ag1 Ag8 Ag10 57.181(12) . . ?
Ag6 Ag8 Ag7 100.497(14) . 2_666 ?
Ag10 Ag8 Ag6 114.592(16) . . ?
Ag10 Ag8 Ag7 124.990(16) . 2_666 ?
S1 Ag8 Ag1 112.83(3) . . ?
S1 Ag8 Ag6 52.47(3) . . ?
S1 Ag8 Ag7 55.30(3) . 2_666 ?
S1 Ag8 Ag10 162.31(3) . . ?
S1 Ag8 S4 105.68(4) . 2_666 ?
S4 Ag8 Ag1 128.66(3) 2_666 . ?
S4 Ag8 Ag6 138.80(3) 2_666 . ?
S4 Ag8 Ag7 50.51(3) 2_666 2_666 ?
S4 Ag8 Ag10 76.07(3) 2_666 . ?
C2 Ag8 Ag1 49.15(14) . . ?
C2 Ag8 Ag6 102.51(13) . . ?
C2 Ag8 Ag7 156.86(14) . 2_666 ?
C2 Ag8 Ag10 44.96(12) . . ?
C2 Ag8 S1 142.21(12) . . ?
C2 Ag8 S4 110.47(13) . 2_666 ?
Ag5 Ag9 Ag1 89.712(14) . . ?
Ag5 Ag9 Ag12 58.049(12) . . ?
Ag6 Ag9 Ag1 61.634(12) . . ?
Ag6 Ag9 Ag5 118.048(15) . . ?
Ag6 Ag9 Ag12 87.357(14) . . ?
Ag12 Ag9 Ag1 118.194(15) . . ?
C3 Ag9 Ag1 49.16(13) . . ?
C3 Ag9 Ag5 138.77(13) . . ?
C3 Ag9 Ag6 50.47(12) . . ?
C3 Ag9 Ag12 137.73(12) . . ?
C3 Ag9 C14 171.30(19) . . ?
C14 Ag9 Ag1 138.77(14) . . ?
C14 Ag9 Ag5 49.08(14) . . ?
C14 Ag9 Ag6 133.21(13) . . ?
C14 Ag9 Ag12 46.35(13) . . ?
Ag1 Ag10 Ag2 89.211(15) . . ?
Ag1 Ag10 Ag8 60.194(12) . . ?
Ag1 Ag10 Ag11 121.014(16) . . ?
Ag8 Ag10 Ag2 118.502(15) . . ?
Ag11 Ag10 Ag2 62.652(13) . . ?
Ag11 Ag10 Ag8 87.950(14) . . ?
C2 Ag10 Ag1 51.14(14) . . ?
C2 Ag10 Ag2 140.34(14) . . ?
C2 Ag10 Ag8 47.50(12) . . ?
C2 Ag10 Ag11 134.39(12) . . ?
C9 Ag10 Ag1 137.66(14) . . ?
C9 Ag10 Ag2 48.80(14) . . ?
C9 Ag10 Ag8 138.44(13) . . ?
C9 Ag10 Ag11 50.51(13) . . ?
C9 Ag10 C2 169.42(19) . . ?
Ag2 Ag11 Ag12 146.292(16) . 2_666 ?
Ag4 Ag11 Ag2 57.713(12) . . ?
Ag4 Ag11 Ag12 98.948(14) . 2_666 ?
Ag10 Ag11 Ag2 61.590(13) . . ?
Ag10 Ag11 Ag4 117.043(17) . . ?
Ag10 Ag11 Ag12 124.471(17) . 2_666 ?
S2 Ag11 Ag2 110.49(3) . . ?
S2 Ag11 Ag4 52.78(3) . . ?
S2 Ag11 Ag10 162.32(3) . . ?
S2 Ag11 Ag12 52.43(3) . 2_666 ?
S2 Ag11 S4 99.78(4) . 2_666 ?
S4 Ag11 Ag2 132.34(3) 2_666 . ?
S4 Ag11 Ag4 136.40(3) 2_666 . ?
S4 Ag11 Ag10 78.43(3) 2_666 . ?
S4 Ag11 Ag12 47.50(3) 2_666 2_666 ?
C9 Ag11 Ag2 48.05(13) . . ?
C9 Ag11 Ag4 97.84(13) . . ?
C9 Ag11 Ag10 46.76(13) . . ?
C9 Ag11 Ag12 163.15(13) . 2_666 ?
C9 Ag11 S2 141.20(13) . . ?
C9 Ag11 S4 118.38(13) . 2_666 ?
Ag5 Ag12 Ag7 61.737(12) . . ?
Ag5 Ag12 Ag9 59.479(12) . . ?
Ag5 Ag12 Ag11 149.478(17) . 2_666 ?
Ag7 Ag12 Ag9 117.351(16) . . ?
Ag7 Ag12 Ag11 98.375(14) . 2_666 ?
Ag9 Ag12 Ag11 122.500(17) . 2_666 ?
S2 Ag12 Ag5 129.33(3) 2_666 . ?
S2 Ag12 Ag7 134.43(3) 2_666 . ?
S2 Ag12 Ag9 75.69(3) 2_666 . ?
S2 Ag12 Ag11 48.06(3) 2_666 2_666 ?
S4 Ag12 Ag5 115.19(3) . . ?
S4 Ag12 Ag7 53.62(3) . . ?
S4 Ag12 Ag9 162.92(3) . . ?
S4 Ag12 Ag11 52.61(3) . 2_666 ?
S4 Ag12 S2 100.52(4) . 2_666 ?
C14 Ag12 Ag5 49.75(14) . . ?
C14 Ag12 Ag7 105.13(13) . . ?
C14 Ag12 Ag9 45.29(13) . . ?
C14 Ag12 Ag11 156.49(13) . 2_666 ?
C14 Ag12 S2 111.95(13) . 2_666 ?
C14 Ag12 S4 145.89(13) . . ?
Ag6 S1 Ag4 76.85(4) . 2_666 ?
Ag6 S1 Ag7 133.97(4) . 2_666 ?
Ag7 S1 Ag4 102.11(3) 2_666 2_666 ?
Ag8 S1 Ag4 136.52(4) . 2_666 ?
Ag8 S1 Ag6 75.77(3) . . ?
Ag8 S1 Ag7 74.80(3) . 2_666 ?
C10 S1 Ag4 114.8(2) . 2_666 ?
C10 S1 Ag6 110.31(19) . . ?
C10 S1 Ag7 111.4(2) . 2_666 ?
C10 S1 Ag8 106.15(19) . . ?
Ag4 S2 Ag6 78.07(4) . 2_666 ?
Ag4 S2 Ag11 73.48(3) . . ?
Ag4 S2 Ag12 137.03(5) . 2_666 ?
Ag6 S2 Ag12 99.61(4) 2_666 2_666 ?
Ag11 S2 Ag6 134.99(5) . 2_666 ?
Ag11 S2 Ag12 79.52(4) . 2_666 ?
C19 S2 Ag4 106.30(19) . . ?
C19 S2 Ag6 109.9(2) . 2_666 ?
C19 S2 Ag11 111.14(19) . . ?
C19 S2 Ag12 114.4(2) . 2_666 ?
Ag1 S3 Ag5 114.00(5) . . ?
Ag2 S3 Ag1 111.31(5) . . ?
Ag2 S3 Ag5 110.62(4) . . ?
C13 S3 Ag1 106.66(17) . . ?
C13 S3 Ag2 105.53(19) . . ?
C13 S3 Ag5 108.2(2) . . ?
Ag7 S4 Ag8 74.32(4) . 2_666 ?
Ag7 S4 Ag11 134.08(5) . 2_666 ?
Ag8 S4 Ag11 99.53(4) 2_666 2_666 ?
Ag12 S4 Ag7 73.34(3) . . ?
Ag12 S4 Ag8 132.80(5) . 2_666 ?
Ag12 S4 Ag11 79.90(4) . 2_666 ?
C25 S4 Ag7 109.6(2) . . ?
C25 S4 Ag8 114.7(2) . 2_666 ?
C25 S4 Ag11 114.0(2) . 2_666 ?
C25 S4 Ag12 108.04(19) . . ?
Ag3 C4AA Ag2 79.75(15) . . ?
Ag3 C4AA Ag4 86.86(16) . . ?
Ag4 C4AA Ag2 82.03(15) . . ?
C11 C4AA Ag2 139.0(4) . . ?
C11 C4AA Ag3 126.1(4) . . ?
C11 C4AA Ag4 125.4(4) . . ?
Ag8 C2 Ag1 82.39(16) . . ?
Ag10 C2 Ag1 81.24(17) . . ?
Ag10 C2 Ag8 87.54(16) . . ?
C8 C2 Ag1 142.0(4) . . ?
C8 C2 Ag8 121.3(4) . . ?
C8 C2 Ag10 125.1(4) . . ?
Ag6 C3 Ag1 83.90(15) . . ?
Ag9 C3 Ag1 87.11(16) . . ?
Ag9 C3 Ag6 82.67(15) . . ?
C26 C3 Ag1 116.1(4) . . ?
C26 C3 Ag6 128.0(4) . . ?
C26 C3 Ag9 141.1(4) . . ?
C5 C4 C7 174.5(5) . . ?
Ag3 C5 Ag5 85.20(18) . . ?
Ag3 C5 Ag7 83.15(17) . . ?
Ag7 C5 Ag5 83.85(16) . . ?
C4 C5 Ag3 137.0(4) . . ?
C4 C5 Ag5 122.8(4) . . ?
C4 C5 Ag7 127.7(4) . . ?
C9 C6 C157 165.5(7) . . ?
C9 C6 C158 165.8(7) . . ?
C4 C7 C20 114.8(5) . . ?
C18 C7 C4 121.9(5) . . ?
C18 C7 C20 123.3(5) . . ?
C2 C8 C23 177.6(6) . . ?
Ag10 C9 Ag2 87.60(18) . . ?
Ag10 C9 Ag11 82.73(17) . . ?
Ag11 C9 Ag2 85.73(16) . . ?
C6 C9 Ag2 109.2(4) . . ?
C6 C9 Ag10 144.2(4) . . ?
C6 C9 Ag11 128.5(4) . . ?
C41 C10 S1 106.9(4) . . ?
C41 C10 C70 109.6(6) . . ?
C47 C10 S1 110.2(4) . . ?
C47 C10 C41 114.3(6) . . ?
C47 C10 C70 108.8(5) . . ?
C70 C10 S1 106.7(4) . . ?
C4AA C11 C21 176.5(6) . . ?
C14 C12 C72 162.9(7) . . ?
C14 C12 C189 168.8(11) . . ?
C33 C13 S3 107.4(4) . . ?
C33 C13 C34 111.8(5) . . ?
C33 C13 C40 111.8(5) . . ?
C34 C13 S3 107.1(4) . . ?
C40 C13 S3 106.8(4) . . ?
C40 C13 C34 111.7(5) . . ?
Ag9 C14 Ag5 84.18(19) . . ?
Ag9 C14 Ag12 88.36(19) . . ?
Ag12 C14 Ag5 81.77(17) . . ?
C12 C14 Ag5 141.1(4) . . ?
C12 C14 Ag9 110.8(4) . . ?
C12 C14 Ag12 132.3(4) . . ?
C31 C15 C121 120.1(17) . . ?
C36 C15 C31 119.7(14) . . ?
C36 C15 C121 119.6(15) . . ?
C24 C16 C21 120.3(5) . . ?
C64 C16 C21 121.1(6) . . ?
C64 C16 C24 118.7(6) . . ?
C30 C17 C29 123.4(6) . . ?
C79 C17 C29 118.3(7) . . ?
C79 C17 C30 118.3(7) . . ?
C7 C18 C27 120.9(6) . . ?
C7 C18 C32 123.4(5) . . ?
C32 C18 C27 115.7(5) . . ?
C37 C19 S2 109.5(4) . . ?
C37 C19 C50 110.1(5) . . ?
C50 C19 S2 106.1(4) . . ?
C94 C19 S2 107.4(4) . . ?
C94 C19 C37 114.5(6) . . ?
C94 C19 C50 108.9(6) . . ?
C56 C20 C7 121.1(6) . . ?
C56 C20 C66 117.5(7) . . ?
C66 C20 C7 121.4(6) . . ?
C11 C21 C16 113.6(5) . . ?
C29 C21 C11 123.5(5) . . ?
C29 C21 C16 122.9(5) . . ?
C35 C22 C38 122.2(6) . . ?
C44 C22 C35 118.0(6) . . ?
C44 C22 C38 119.8(6) . . ?
C8 C23 C28 115.5(4) . . ?
C38 C23 C8 122.2(5) . . ?
C38 C23 C28 122.3(5) . . ?
C49 C24 C16 119.9(6) . . ?
C65 C25 S4 108.0(5) . . ?
C65 C25 C111 108.7(7) . . ?
C77 C25 S4 109.8(5) . . ?
C77 C25 C65 112.0(6) . . ?
C77 C25 C111 112.5(7) . . ?
C111 C25 S4 105.6(4) . . ?
C3 C26 C134 155.4(8) . . ?
C3 C26 C136 162.3(7) . . ?
C46 C27 C18 119.8(6) . . ?
C53 C27 C18 120.9(6) . . ?
C53 C27 C46 119.3(6) . . ?
C54 C28 C23 119.9(7) . . ?
C73 C28 C23 118.4(7) . . ?
C73 C28 C54 121.7(7) . . ?
C17 C29 C2AA 105.3(17) . . ?
C17 C29 C7AA 120.4(10) . . ?
C21 C29 C17 124.0(5) . . ?
C21 C29 C2AA 129.8(18) . . ?
C21 C29 C7AA 115.6(10) . . ?
C69 C30 C17 120.9(7) . . ?
C15 C31 C89 121.5(13) . . ?
C39 C32 C18 122.5(6) . . ?
C39 C32 C55 117.8(7) . . ?
C55 C32 C18 119.6(7) . . ?
C52 C35 C22 121.7(7) . . ?
C15 C36 C86 120.3(13) . . ?
C22 C38 C45 116.6(5) . . ?
C23 C38 C22 120.8(5) . . ?
C23 C38 C45 122.6(5) . . ?
C78 C39 C32 121.1(7) . . ?
C48 C43 C52 119.9(7) . . ?
C48 C44 C22 121.6(7) . . ?
C87 C45 C38 123.5(6) . . ?
C106 C45 C38 119.5(6) . . ?
C106 C45 C87 117.0(6) . . ?
C98 C46 C27 118.7(8) . . ?
C44 C48 C43 120.1(7) . . ?
C24 C49 C88 120.1(7) . . ?
C89 C51 C86 122.5(14) . . ?
C35 C52 C43 118.5(7) . . ?
C27 C53 C93 121.5(8) . . ?
C28 C54 C90 117.8(9) . . ?
C71 C55 C32 120.9(8) . . ?
C20 C56 C113 121.1(8) . . ?
C67 C57 C108 117.0(19) . . ?
C60 C59 C58 120.0 . . ?
C61 C60 C59 120.0 . . ?
C60 C61 C62 120.0 . . ?
C61 C62 C63 120.0 . . ?
C58 C63 C62 120.0 . . ?
C59 C58 C190 123.1(12) . . ?
C63 C58 C59 120.0 . . ?
C63 C58 C190 116.8(13) . . ?
C110 C64 C16 121.2(7) . . ?
C20 C66 C99 120.3(9) . . ?
C57 C67 C119 118.5(14) . . ?
C92 C67 C57 124.5(19) . . ?
C92 C67 C119 116.8(15) . . ?
C69 C68 C91 119.2(8) . . ?
C30 C69 C68 121.4(8) . . ?
C107 C71 C55 119.7(8) . . ?
C105 C72 C12 120.1(13) . . ?
C119 C72 C12 111.5(11) . . ?
C119 C72 C105 128.3(17) . . ?
C28 C73 C97 119.5(10) . . ?
C92 C74 C117 119.7(16) . . ?
C39 C78 C107 119.7(9) . . ?
C17 C79 C91 120.1(8) . . ?
C81 C80 C85 120.0 . . ?
C80 C81 C82 120.0 . . ?
C80 C81 C112 119.1(9) . . ?
C82 C81 C112 120.8(9) . . ?
C81 C82 C83 120.0 . . ?
C84 C83 C82 120.0 . . ?
C83 C84 C85 120.0 . . ?
C84 C85 C80 120.0 . . ?
C51 C86 C36 119.1(14) . . ?
C45 C87 C115 122.2(7) . . ?
C110 C88 C49 120.8(7) . . ?
C51 C89 C31 116.5(12) . . ?
C96 C90 C54 115.9(10) . . ?
C68 C91 C79 120.0(8) . . ?
C67 C92 C74 117.3(17) . . ?
C95 C93 C53 119.0(9) . . ?
C93 C95 C98 120.6(8) . . ?
C97 C96 C90 129.7(12) . . ?
C96 C97 C73 115.3(12) . . ?
C46 C98 C95 120.7(8) . . ?
C114 C99 C66 120.1(10) . . ?
C101 C100 C105 120.0 . . ?
C102 C101 C100 120.0 . . ?
C101 C102 C103 120.0 . . ?
C102 C103 C104 120.0 . . ?
C105 C104 C103 120.0 . . ?
C100 C105 C72 118.1(10) . . ?
C104 C105 C72 121.8(10) . . ?
C104 C105 C100 120.0 . . ?
C45 C106 C116 122.1(8) . . ?
C71 C107 C78 120.8(9) . . ?
C117 C108 C57 119.8(16) . . ?
C116 C109 C115 119.6(8) . . ?
C88 C110 C64 119.3(7) . . ?
C158 C112 C81 120.8(12) . . ?
C158 C112 C179 124.0(11) . . ?
C179 C112 C81 115.1(9) . . ?
C114 C113 C56 119.1(10) . . ?
C99 C114 C113 121.7(10) . . ?
C109 C115 C87 119.0(8) . . ?
C109 C116 C106 120.0(8) . . ?
C108 C117 C74 121.5(15) . . ?
C72 C119 C67 126.9(15) . . ?
C72 C119 C193 106.6(11) . . ?
C193 C119 C67 126.5(14) . . ?
C122 C121 C15 119.4(11) . . ?
C136 C121 C15 119.4(11) . . ?
C136 C121 C122 120.1(10) . . ?
C125 C122 C121 126.4(11) . . ?
C125 C122 C132 119.1(11) . . ?
C132 C122 C121 114.2(12) . . ?
C138 C124 C126 125.6(14) . . ?
C122 C125 C126 122.2(13) . . ?
C124 C126 C125 117.4(14) . . ?
C157 C127 C168 120.1(15) . . ?
C157 C127 C172 121.2(13) . . ?
C172 C127 C168 118.6(11) . . ?
C130 C128 C137 119.2(12) . . ?
C131 C129 C130 122.1(12) . . ?
C128 C130 C129 119.0(11) . . ?
C128 C130 C135 113.7(10) . . ?
C129 C130 C135 127.0(10) . . ?
C129 C131 C133 118.3(13) . . ?
C122 C132 C138 117.8(15) . . ?
C137 C133 C131 119.6(13) . . ?
C135 C134 C26 110.9(13) . . ?
C135 C134 C151 124.4(16) . . ?
C151 C134 C26 124.7(12) . . ?
C134 C135 C130 114.1(15) . . ?
C134 C135 C147 128.2(17) . . ?
C147 C135 C130 117.6(13) . . ?
C26 C136 C139 122.9(9) . . ?
C121 C136 C26 117.1(8) . . ?
C121 C136 C139 120.0(10) . . ?
C133 C137 C128 121.5(14) . . ?
C124 C138 C132 117.8(15) . . ?
C140 C139 C136 120.5(16) . . ?
C140 C139 C141 118.9(12) . . ?
C141 C139 C136 120.1(15) . . ?
C150 C140 C139 120.8(17) . . ?
C139 C141 C142 120.0(14) . . ?
C143 C142 C141 112.8(15) . . ?
C142 C143 C150 130.6(17) . . ?
C145 C144 C149 120.0 . . ?
C146 C145 C144 120.0 . . ?
C145 C146 C147 120.0 . . ?
C146 C147 C135 123.8(11) . . ?
C146 C147 C148 120.0 . . ?
C148 C147 C135 114.9(11) . . ?
C149 C148 C147 120.0 . . ?
C148 C149 C144 120.0 . . ?
C140 C150 C143 116.2(19) . . ?
C152 C151 C134 118.7(13) . . ?
C152 C151 C156 120.0 . . ?
C156 C151 C134 120.0(13) . . ?
C151 C152 C153 120.0 . . ?
C154 C153 C152 120.0 . . ?
C153 C154 C155 120.0 . . ?
C156 C155 C154 120.0 . . ?
C155 C156 C151 120.0 . . ?
C127 C157 C6 118.9(13) . . ?
C127 C157 C186 125.9(17) . . ?
C186 C157 C6 115.2(13) . . ?
C6 C158 C159 115.9(11) . . ?
C112 C158 C6 122.3(12) . . ?
C112 C158 C159 121.8(14) . . ?
C160 C159 C158 117.8(9) . . ?
C160 C159 C164 120.0 . . ?
C164 C159 C158 122.1(10) . . ?
C161 C160 C159 120.0 . . ?
C160 C161 C162 120.0 . . ?
C163 C162 C161 120.0 . . ?
C162 C163 C164 120.0 . . ?
C163 C164 C159 120.0 . . ?
C166 C165 C170 120.0 . . ?
C167 C166 C165 120.0 . . ?
C168 C167 C166 120.0 . . ?
C167 C168 C127 112.8(12) . . ?
C169 C168 C127 126.9(12) . . ?
C169 C168 C167 120.0 . . ?
C168 C169 C170 120.0 . . ?
C169 C170 C165 120.0 . . ?
C172 C171 C176 120.0 . . ?
C171 C172 C127 118.7(8) . . ?
C171 C172 C173 120.0 . . ?
C173 C172 C127 121.3(8) . . ?
C174 C173 C172 120.0 . . ?
C175 C174 C173 120.0 . . ?
C174 C175 C176 120.0 . . ?
C175 C176 C171 120.0 . . ?
C178 C177 C182 120.0 . . ?
C177 C178 C179 120.0 . . ?
C178 C179 C112 120.5(8) . . ?
C180 C179 C112 119.5(8) . . ?
C180 C179 C178 120.0 . . ?
C181 C180 C179 120.0 . . ?
C180 C181 C182 120.0 . . ?
C181 C182 C177 120.0 . . ?
C184 C183 C188 120.0 . . ?
C185 C184 C183 120.0 . . ?
C184 C185 C186 120.0 . . ?
C185 C186 C157 117.1(10) . . ?
C187 C186 C157 122.9(10) . . ?
C187 C186 C185 120.0 . . ?
C186 C187 C188 120.0 . . ?
C187 C188 C183 120.0 . . ?
C12 C189 C197 110.3(15) . . ?
C190 C189 C12 142(3) . . ?
C190 C189 C197 108(2) . . ?
C189 C190 C58 143(3) . . ?
C189 C190 C203 104.5(18) . . ?
C203 C190 C58 112.3(16) . . ?
C192 C191 C196 120.0 . . ?
C191 C192 C193 120.0 . . ?
C192 C193 C119 134.9(9) . . ?
C194 C193 C119 105.0(9) . . ?
C194 C193 C192 120.0 . . ?
C195 C194 C193 120.0 . . ?
C196 C195 C194 120.0 . . ?
C195 C196 C191 120.0 . . ?
C207 C197 C189 118.6(15) . . ?
C207 C197 C208 116(2) . . ?
C208 C197 C189 125(2) . . ?
C199 C198 C203 120.0 . . ?
C200 C199 C198 120.0 . . ?
C199 C200 C201 120.0 . . ?
C202 C201 C200 120.0 . . ?
C201 C202 C203 120.0 . . ?
C198 C203 C190 123.3(9) . . ?
C202 C203 C190 116.7(9) . . ?
C202 C203 C198 120.0 . . ?
C205 C204 C208 115(2) . . ?
C204 C205 C206 122(2) . . ?
C207 C206 C205 119(2) . . ?
C197 C207 C206 122(2) . . ?
C197 C208 C204 125(3) . . ?
O1 N1 O2 119.4(4) . . ?
O3 N1 O1 119.8(4) . . ?
O3 N1 O2 120.7(4) . . ?
C8AA C0AA C7AA 123(2) . . ?
C1BA C1AA C3AA 123(3) . . ?
C3AA C2AA C29 117(3) . . ?
C3AA C2AA C5AA 125(3) . . ?
C5AA C2AA C29 118(3) . . ?
C2AA C3AA C1AA 116(3) . . ?
C2AA C5AA C0BA 117(4) . . ?
C9AA C6AA C7AA 122(2) . . ?
C0AA C7AA C29 119.8(18) . . ?
C6AA C7AA C29 122.6(18) . . ?
C6AA C7AA C0AA 117.2(13) . . ?
C2BA C8AA C0AA 118.1(17) . . ?
C6AA C9AA C2BA 118(2) . . ?
C5AA C0BA C1BA 120(4) . . ?
C1AA C1BA C0BA 118(3) . . ?
C8AA C2BA C9AA 122.1(14) . . ?

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
Ag1 S3 C13 C33 64.5(4) . . . . ?
Ag1 S3 C13 C34 -55.7(4) . . . . ?
Ag1 S3 C13 C40 -175.5(4) . . . . ?
Ag1 C3 C26 C134 24.8(19) . . . . ?
Ag1 C3 C26 C136 -160(2) . . . . ?
Ag2 S3 C13 C33 -54.0(4) . . . . ?
Ag2 S3 C13 C34 -174.2(4) . . . . ?
Ag2 S3 C13 C40 66.1(4) . . . . ?
Ag4 S1 C10 C41 35.5(5) 2_666 . . . ?
Ag4 S1 C10 C47 -89.3(5) 2_666 . . . ?
Ag4 S1 C10 C70 152.7(4) 2_666 . . . ?
Ag4 S2 C19 C37 76.8(5) . . . . ?
Ag4 S2 C19 C50 -42.0(4) . . . . ?
Ag4 S2 C19 C94 -158.3(5) . . . . ?
Ag5 S3 C13 C33 -172.5(3) . . . . ?
Ag5 S3 C13 C34 67.4(4) . . . . ?
Ag5 S3 C13 C40 -52.4(5) . . . . ?
Ag6 S1 C10 C41 120.0(5) . . . . ?
Ag6 S1 C10 C47 -4.8(5) . . . . ?
Ag6 S1 C10 C70 -122.9(4) . . . . ?
Ag6 S2 C19 C37 159.7(4) 2_666 . . . ?
Ag6 S2 C19 C50 40.9(4) 2_666 . . . ?
Ag6 S2 C19 C94 -75.4(6) 2_666 . . . ?
Ag6 C3 C26 C134 128.2(17) . . . . ?
Ag6 C3 C26 C136 -56(3) . . . . ?
Ag7 S1 C10 C41 -79.9(5) 2_666 . . . ?
Ag7 S1 C10 C47 155.3(4) 2_666 . . . ?
Ag7 S1 C10 C70 37.2(4) 2_666 . . . ?
Ag7 S4 C25 C65 -123.1(4) . . . . ?
Ag7 S4 C25 C77 -0.8(6) . . . . ?
Ag7 S4 C25 C111 120.8(6) . . . . ?
Ag8 S1 C10 C41 -159.6(4) . . . . ?
Ag8 S1 C10 C47 75.6(5) . . . . ?
Ag8 S1 C10 C70 -42.4(4) . . . . ?
Ag8 S4 C25 C65 155.7(4) 2_666 . . . ?
Ag8 S4 C25 C77 -82.0(5) 2_666 . . . ?
Ag8 S4 C25 C111 39.6(7) 2_666 . . . ?
Ag9 C3 C26 C134 -96.4(19) . . . . ?
Ag9 C3 C26 C136 79(2) . . . . ?
Ag11 S2 C19 C37 -1.4(5) . . . . ?
Ag11 S2 C19 C50 -120.2(4) . . . . ?
Ag11 S2 C19 C94 123.5(5) . . . . ?
Ag11 S4 C25 C65 41.9(5) 2_666 . . . ?
Ag11 S4 C25 C77 164.2(5) 2_666 . . . ?
Ag11 S4 C25 C111 -74.3(6) 2_666 . . . ?
Ag12 S2 C19 C37 -89.2(5) 2_666 . . . ?
Ag12 S2 C19 C50 152.0(4) 2_666 . . . ?
Ag12 S2 C19 C94 35.7(6) 2_666 . . . ?
Ag12 S4 C25 C65 -44.9(5) . . . . ?
Ag12 S4 C25 C77 77.5(6) . . . . ?
Ag12 S4 C25 C111 -161.0(6) . . . . ?
C3 C26 C134 C135 -158.3(15) . . . . ?
C3 C26 C134 C151 23(3) . . . . ?
C3 C26 C136 C121 -161.6(19) . . . . ?
C3 C26 C136 C139 16(3) . . . . ?
C4 C7 C18 C27 168.7(5) . . . . ?
C4 C7 C18 C32 -10.3(9) . . . . ?
C4 C7 C20 C56 -51.5(8) . . . . ?
C4 C7 C20 C66 126.9(7) . . . . ?
C6 C157 C186 C185 118.7(12) . . . . ?
C6 C157 C186 C187 -61.6(15) . . . . ?
C6 C158 C159 C160 -44.1(15) . . . . ?
C6 C158 C159 C164 132.1(11) . . . . ?
C7 C18 C27 C46 131.5(7) . . . . ?
C7 C18 C27 C53 -50.7(9) . . . . ?
C7 C18 C32 C39 -47.3(9) . . . . ?
C7 C18 C32 C55 133.8(6) . . . . ?
C7 C20 C56 C113 -178.5(8) . . . . ?
C7 C20 C66 C99 -179.5(8) . . . . ?
C8 C23 C28 C54 -64.7(7) . . . . ?
C8 C23 C28 C73 115.7(7) . . . . ?
C8 C23 C38 C22 -6.8(10) . . . . ?
C8 C23 C38 C45 171.6(6) . . . . ?
C9 C6 C157 C127 171(2) . . . . ?
C9 C6 C157 C186 -9(4) . . . . ?
C9 C6 C158 C112 -173(2) . . . . ?
C9 C6 C158 C159 6(4) . . . . ?
C11 C21 C29 C17 -4.9(10) . . . . ?
C11 C21 C29 C2AA 163(2) . . . . ?
C11 C21 C29 C7AA 177.6(11) . . . . ?
C12 C72 C105 C100 59.1(17) . . . . ?
C12 C72 C105 C104 -124.9(12) . . . . ?
C12 C72 C119 C67 10(2) . . . . ?
C12 C72 C119 C193 -170.2(12) . . . . ?
C12 C189 C190 C58 -166.0(18) . . . . ?
C12 C189 C190 C203 5(3) . . . . ?
C12 C189 C197 C207 52(2) . . . . ?
C12 C189 C197 C208 -125(2) . . . . ?
C14 C12 C72 C105 0(4) . . . . ?
C14 C12 C72 C119 -176(2) . . . . ?
C14 C12 C189 C190 -169(3) . . . . ?
C14 C12 C189 C197 8(5) . . . . ?
C15 C31 C89 C51 -3(2) . . . . ?
C15 C36 C86 C51 -1(2) . . . . ?
C15 C121 C122 C125 111.3(16) . . . . ?
C15 C121 C122 C132 -63.6(18) . . . . ?
C15 C121 C136 C26 1.9(19) . . . . ?
C15 C121 C136 C139 -175.9(15) . . . . ?
C16 C21 C29 C17 174.5(6) . . . . ?
C16 C21 C29 C2AA -18(3) . . . . ?
C16 C21 C29 C7AA -3.0(13) . . . . ?
C16 C24 C49 C88 -0.3(9) . . . . ?
C16 C64 C110 C88 -0.4(12) . . . . ?
C17 C29 C2AA C3AA -56(3) . . . . ?
C17 C29 C2AA C5AA 126(2) . . . . ?
C17 C29 C7AA C0AA -49.1(18) . . . . ?
C17 C29 C7AA C6AA 122.9(15) . . . . ?
C17 C30 C69 C68 0.4(12) . . . . ?
C17 C79 C91 C68 -2.7(13) . . . . ?
C18 C7 C20 C56 128.4(7) . . . . ?
C18 C7 C20 C66 -53.2(9) . . . . ?
C18 C27 C46 C98 -179.8(7) . . . . ?
C18 C27 C53 C93 -179.1(7) . . . . ?
C18 C32 C39 C78 -179.3(6) . . . . ?
C18 C32 C55 C71 -179.5(6) . . . . ?
C20 C7 C18 C27 -11.2(9) . . . . ?
C20 C7 C18 C32 169.9(6) . . . . ?
C20 C56 C113 C114 -2.4(15) . . . . ?
C20 C66 C99 C114 -1.9(16) . . . . ?
C21 C16 C24 C49 -179.8(5) . . . . ?
C21 C16 C64 C110 -179.8(7) . . . . ?
C21 C29 C2AA C3AA 134(2) . . . . ?
C21 C29 C2AA C5AA -43(4) . . . . ?
C21 C29 C7AA C0AA 128.5(13) . . . . ?
C21 C29 C7AA C6AA -59.5(17) . . . . ?
C22 C35 C52 C43 -0.1(10) . . . . ?
C22 C38 C45 C87 134.2(7) . . . . ?
C22 C38 C45 C106 -44.9(9) . . . . ?
C22 C44 C48 C43 -2.6(10) . . . . ?
C23 C28 C54 C90 -175.4(5) . . . . ?
C23 C28 C73 C97 175.0(7) . . . . ?
C23 C38 C45 C87 -44.2(10) . . . . ?
C23 C38 C45 C106 136.7(8) . . . . ?
C24 C16 C21 C11 -56.5(7) . . . . ?
C24 C16 C21 C29 124.1(6) . . . . ?
C24 C16 C64 C110 0.1(10) . . . . ?
C24 C49 C88 C110 0.0(12) . . . . ?
C26 C134 C135 C130 174.2(10) . . . . ?
C26 C134 C135 C147 -2(3) . . . . ?
C26 C134 C151 C152 113.6(13) . . . . ?
C26 C134 C151 C156 -53.5(19) . . . . ?
C26 C136 C139 C140 -52(2) . . . . ?
C26 C136 C139 C141 119.8(14) . . . . ?
C27 C18 C32 C39 133.8(6) . . . . ?
C27 C18 C32 C55 -45.2(8) . . . . ?
C27 C46 C98 C95 -0.1(14) . . . . ?
C27 C53 C93 C95 -2.3(13) . . . . ?
C28 C23 C38 C22 173.3(6) . . . . ?
C28 C23 C38 C45 -8.4(10) . . . . ?
C28 C54 C90 C96 -0.8(11) . . . . ?
C28 C73 C97 C96 1.5(14) . . . . ?
C29 C17 C30 C69 179.6(7) . . . . ?
C29 C17 C79 C91 -178.3(7) . . . . ?
C29 C2AA C3AA C1AA -170(3) . . . . ?
C29 C2AA C5AA C0BA 170(2) . . . . ?
C30 C17 C29 C21 -39.2(10) . . . . ?
C30 C17 C29 C2AA 150(2) . . . . ?
C30 C17 C29 C7AA 138.2(12) . . . . ?
C30 C17 C79 C91 3.3(11) . . . . ?
C31 C15 C36 C86 -4(2) . . . . ?
C31 C15 C121 C122 -34(2) . . . . ?
C31 C15 C121 C136 133.2(14) . . . . ?
C32 C18 C27 C46 -49.5(8) . . . . ?
C32 C18 C27 C53 128.3(7) . . . . ?
C32 C39 C78 C107 -0.8(11) . . . . ?
C32 C55 C71 C107 -1.6(12) . . . . ?
C35 C22 C38 C23 -54.4(9) . . . . ?
C35 C22 C38 C45 127.2(6) . . . . ?
C35 C22 C44 C48 4.3(9) . . . . ?
C36 C15 C31 C89 6(2) . . . . ?
C36 C15 C121 C122 136.7(15) . . . . ?
C36 C15 C121 C136 -56(2) . . . . ?
C38 C22 C35 C52 176.9(6) . . . . ?
C38 C22 C44 C48 -175.5(6) . . . . ?
C38 C23 C28 C54 115.2(7) . . . . ?
C38 C23 C28 C73 -64.4(9) . . . . ?
C38 C45 C87 C115 -179.1(7) . . . . ?
C38 C45 C106 C116 179.6(8) . . . . ?
C39 C32 C55 C71 1.5(10) . . . . ?
C39 C78 C107 C71 0.7(13) . . . . ?
C44 C22 C35 C52 -2.9(9) . . . . ?
C44 C22 C38 C23 125.4(6) . . . . ?
C44 C22 C38 C45 -53.0(8) . . . . ?
C45 C87 C115 C109 0.5(14) . . . . ?
C45 C106 C116 C109 -1.6(16) . . . . ?
C46 C27 C53 C93 -1.2(11) . . . . ?
C48 C43 C52 C35 1.9(10) . . . . ?
C49 C88 C110 C64 0.4(13) . . . . ?
C52 C43 C48 C44 -0.6(11) . . . . ?
C53 C27 C46 C98 2.4(11) . . . . ?
C53 C93 C95 C98 4.7(15) . . . . ?
C54 C28 C73 C97 -4.6(11) . . . . ?
C54 C90 C96 C97 -2.5(17) . . . . ?
C55 C32 C39 C78 -0.3(10) . . . . ?
C55 C71 C107 C78 0.5(13) . . . . ?
C56 C20 C66 C99 -1.0(12) . . . . ?
C56 C113 C114 C99 -0.6(18) . . . . ?
C57 C67 C92 C74 -4(3) . . . . ?
C57 C67 C119 C72 52(3) . . . . ?
C57 C67 C119 C193 -127.4(19) . . . . ?
C57 C108 C117 C74 -1(3) . . . . ?
C59 C60 C61 C62 0.0 . . . . ?
C59 C58 C190 C189 43(3) . . . . ?
C59 C58 C190 C203 -128.1(12) . . . . ?
C60 C59 C58 C63 0.0 . . . . ?
C60 C59 C58 C190 176.0(17) . . . . ?
C60 C61 C62 C63 0.0 . . . . ?
C61 C62 C63 C58 0.0 . . . . ?
C62 C63 C58 C59 0.0 . . . . ?
C62 C63 C58 C190 -176.2(16) . . . . ?
C63 C58 C190 C189 -141(2) . . . . ?
C63 C58 C190 C203 48.0(14) . . . . ?
C58 C59 C60 C61 0.0 . . . . ?
C58 C190 C203 C198 -125.3(11) . . . . ?
C58 C190 C203 C202 52.1(13) . . . . ?
C64 C16 C21 C11 123.3(6) . . . . ?
C64 C16 C21 C29 -56.1(8) . . . . ?
C64 C16 C24 C49 0.3(9) . . . . ?
C66 C20 C56 C113 3.1(12) . . . . ?
C66 C99 C114 C113 2.7(19) . . . . ?
C67 C57 C108 C117 1(3) . . . . ?
C67 C119 C193 C192 -140.3(14) . . . . ?
C67 C119 C193 C194 35.7(19) . . . . ?
C69 C68 C91 C79 0.9(14) . . . . ?
C72 C12 C14 Ag5 -114(3) . . . . ?
C72 C12 C14 Ag9 -7(3) . . . . ?
C72 C12 C14 Ag12 101(3) . . . . ?
C72 C119 C193 C192 40.0(18) . . . . ?
C72 C119 C193 C194 -144.0(12) . . . . ?
C73 C28 C54 C90 4.2(9) . . . . ?
C79 C17 C29 C21 142.5(7) . . . . ?
C79 C17 C29 C2AA -28(2) . . . . ?
C79 C17 C29 C7AA -40.1(14) . . . . ?
C79 C17 C30 C69 -2.1(10) . . . . ?
C80 C81 C82 C83 0.0 . . . . ?
C80 C81 C112 C158 126.9(12) . . . . ?
C80 C81 C112 C179 -51.1(12) . . . . ?
C81 C80 C85 C84 0.0 . . . . ?
C81 C82 C83 C84 0.0 . . . . ?
C81 C112 C158 C6 -10(2) . . . . ?
C81 C112 C158 C159 171.5(12) . . . . ?
C81 C112 C179 C178 131.3(9) . . . . ?
C81 C112 C179 C180 -47.1(12) . . . . ?
C82 C81 C112 C158 -57.1(15) . . . . ?
C82 C81 C112 C179 124.9(9) . . . . ?
C82 C83 C84 C85 0.0 . . . . ?
C83 C84 C85 C80 0.0 . . . . ?
C85 C80 C81 C82 0.0 . . . . ?
C85 C80 C81 C112 176.1(11) . . . . ?
C86 C51 C89 C31 -3(2) . . . . ?
C87 C45 C106 C116 0.5(13) . . . . ?
C89 C51 C86 C36 4(3) . . . . ?
C90 C96 C97 C73 2.2(18) . . . . ?
C91 C68 C69 C30 0.2(14) . . . . ?
C92 C67 C119 C72 -132.5(19) . . . . ?
C92 C67 C119 C193 48(2) . . . . ?
C92 C74 C117 C108 -2(3) . . . . ?
C93 C95 C98 C46 -3.5(15) . . . . ?
C100 C101 C102 C103 0.0 . . . . ?
C101 C100 C105 C72 176.1(14) . . . . ?
C101 C100 C105 C104 0.0 . . . . ?
C101 C102 C103 C104 0.0 . . . . ?
C102 C103 C104 C105 0.0 . . . . ?
C103 C104 C105 C72 -176.0(14) . . . . ?
C103 C104 C105 C100 0.0 . . . . ?
C105 C72 C119 C67 -165.7(16) . . . . ?
C105 C72 C119 C193 14(2) . . . . ?
C105 C100 C101 C102 0.0 . . . . ?
C106 C45 C87 C115 0.1(12) . . . . ?
C108 C57 C67 C92 1(3) . . . . ?
C108 C57 C67 C119 175.8(18) . . . . ?
C112 C81 C82 C83 -176.0(11) . . . . ?
C112 C158 C159 C160 134.6(12) . . . . ?
C112 C158 C159 C164 -49.1(19) . . . . ?
C112 C179 C180 C181 178.4(10) . . . . ?
C115 C109 C116 C106 2.1(17) . . . . ?
C116 C109 C115 C87 -1.5(16) . . . . ?
C117 C74 C92 C67 4(3) . . . . ?
C119 C67 C92 C74 -178.4(18) . . . . ?
C119 C72 C105 C100 -125.5(16) . . . . ?
C119 C72 C105 C104 50(2) . . . . ?
C119 C193 C194 C195 -176.7(13) . . . . ?
C121 C15 C31 C89 177.1(18) . . . . ?
C121 C15 C36 C86 -175.2(15) . . . . ?
C121 C122 C125 C126 -172.4(12) . . . . ?
C121 C122 C132 C138 174.3(13) . . . . ?
C121 C136 C139 C140 125.3(17) . . . . ?
C121 C136 C139 C141 -62.6(18) . . . . ?
C122 C121 C136 C26 169.2(10) . . . . ?
C122 C121 C136 C139 -9(2) . . . . ?
C122 C125 C126 C124 -1(2) . . . . ?
C122 C132 C138 C124 -1(2) . . . . ?
C125 C122 C132 C138 -1(2) . . . . ?
C126 C124 C138 C132 3(3) . . . . ?
C127 C157 C186 C185 -62(2) . . . . ?
C127 C157 C186 C187 118.1(16) . . . . ?
C127 C168 C169 C170 -173.0(15) . . . . ?
C127 C172 C173 C174 -178.7(11) . . . . ?
C128 C130 C135 C134 131.8(17) . . . . ?
C128 C130 C135 C147 -51.3(19) . . . . ?
C129 C130 C135 C134 -55(2) . . . . ?
C129 C130 C135 C147 122.1(16) . . . . ?
C129 C131 C133 C137 3(3) . . . . ?
C130 C128 C137 C133 4(3) . . . . ?
C130 C129 C131 C133 -4(2) . . . . ?
C130 C135 C147 C146 129.7(12) . . . . ?
C130 C135 C147 C148 -37.4(17) . . . . ?
C131 C129 C130 C128 5(2) . . . . ?
C131 C129 C130 C135 -168.6(14) . . . . ?
C131 C133 C137 C128 -3(3) . . . . ?
C132 C122 C125 C126 2.2(19) . . . . ?
C134 C135 C147 C146 -54(2) . . . . ?
C134 C135 C147 C148 138.9(18) . . . . ?
C134 C151 C152 C153 -167.1(16) . . . . ?
C134 C151 C156 C155 167.0(16) . . . . ?
C135 C134 C151 C152 -64(2) . . . . ?
C135 C134 C151 C156 128.4(17) . . . . ?
C135 C147 C148 C149 167.7(13) . . . . ?
C136 C121 C122 C125 -56.0(18) . . . . ?
C136 C121 C122 C132 129.1(13) . . . . ?
C136 C139 C140 C150 179.6(15) . . . . ?
C136 C139 C141 C142 -172.4(12) . . . . ?
C137 C128 C130 C129 -4(2) . . . . ?
C137 C128 C130 C135 169.8(15) . . . . ?
C138 C124 C126 C125 -1(2) . . . . ?
C139 C140 C150 C143 -10(3) . . . . ?
C139 C141 C142 C143 -3.3(19) . . . . ?
C140 C139 C141 C142 0(2) . . . . ?
C141 C139 C140 C150 7(3) . . . . ?
C141 C142 C143 C150 0(3) . . . . ?
C142 C143 C150 C140 7(3) . . . . ?
C144 C145 C146 C147 0.0 . . . . ?
C145 C144 C149 C148 0.0 . . . . ?
C145 C146 C147 C135 -166.5(14) . . . . ?
C145 C146 C147 C148 0.0 . . . . ?
C146 C147 C148 C149 0.0 . . . . ?
C147 C148 C149 C144 0.0 . . . . ?
C149 C144 C145 C146 0.0 . . . . ?
C151 C134 C135 C130 -7(3) . . . . ?
C151 C134 C135 C147 176.1(16) . . . . ?
C151 C152 C153 C154 0.0 . . . . ?
C152 C151 C156 C155 0.0 . . . . ?
C152 C153 C154 C155 0.0 . . . . ?
C153 C154 C155 C156 0.0 . . . . ?
C154 C155 C156 C151 0.0 . . . . ?
C156 C151 C152 C153 0.0 . . . . ?
C157 C6 C9 Ag2 56(3) . . . . ?
C157 C6 C9 Ag10 -58(4) . . . . ?
C157 C6 C9 Ag11 156(3) . . . . ?
C157 C127 C168 C167 139.1(13) . . . . ?
C157 C127 C168 C169 -47.5(19) . . . . ?
C157 C127 C172 C171 126.9(13) . . . . ?
C157 C127 C172 C173 -54.4(16) . . . . ?
C157 C186 C187 C188 -179.7(14) . . . . ?
C158 C6 C9 Ag2 -138(3) . . . . ?
C158 C6 C9 Ag10 108(3) . . . . ?
C158 C6 C9 Ag11 -38(3) . . . . ?
C158 C112 C179 C178 -46.6(15) . . . . ?
C158 C112 C179 C180 135.0(12) . . . . ?
C158 C159 C160 C161 176.3(14) . . . . ?
C158 C159 C164 C163 -176.2(14) . . . . ?
C159 C160 C161 C162 0.0 . . . . ?
C160 C159 C164 C163 0.0 . . . . ?
C160 C161 C162 C163 0.0 . . . . ?
C161 C162 C163 C164 0.0 . . . . ?
C162 C163 C164 C159 0.0 . . . . ?
C164 C159 C160 C161 0.0 . . . . ?
C165 C166 C167 C168 0.0 . . . . ?
C166 C165 C170 C169 0.0 . . . . ?
C166 C167 C168 C127 173.9(13) . . . . ?
C166 C167 C168 C169 0.0 . . . . ?
C167 C168 C169 C170 0.0 . . . . ?
C168 C127 C157 C6 -10(2) . . . . ?
C168 C127 C157 C186 170.0(14) . . . . ?
C168 C127 C172 C171 -49.3(14) . . . . ?
C168 C127 C172 C173 129.4(11) . . . . ?
C168 C169 C170 C165 0.0 . . . . ?
C170 C165 C166 C167 0.0 . . . . ?
C171 C172 C173 C174 0.0 . . . . ?
C172 C127 C157 C6 173.6(10) . . . . ?
C172 C127 C157 C186 -6(2) . . . . ?
C172 C127 C168 C167 -44.7(14) . . . . ?
C172 C127 C168 C169 128.7(11) . . . . ?
C172 C171 C176 C175 0.0 . . . . ?
C172 C173 C174 C175 0.0 . . . . ?
C173 C174 C175 C176 0.0 . . . . ?
C174 C175 C176 C171 0.0 . . . . ?
C176 C171 C172 C127 178.7(10) . . . . ?
C176 C171 C172 C173 0.0 . . . . ?
C177 C178 C179 C112 -178.4(10) . . . . ?
C177 C178 C179 C180 0.0 . . . . ?
C178 C177 C182 C181 0.0 . . . . ?
C178 C179 C180 C181 0.0 . . . . ?
C179 C112 C158 C6 168.0(11) . . . . ?
C179 C112 C158 C159 -11(2) . . . . ?
C179 C180 C181 C182 0.0 . . . . ?
C180 C181 C182 C177 0.0 . . . . ?
C182 C177 C178 C179 0.0 . . . . ?
C183 C184 C185 C186 0.0 . . . . ?
C184 C183 C188 C187 0.0 . . . . ?
C184 C185 C186 C157 179.7(13) . . . . ?
C184 C185 C186 C187 0.0 . . . . ?
C185 C186 C187 C188 0.0 . . . . ?
C186 C187 C188 C183 0.0 . . . . ?
C188 C183 C184 C185 0.0 . . . . ?
C189 C12 C14 Ag5 64(4) . . . . ?
C189 C12 C14 Ag9 171(4) . . . . ?
C189 C12 C14 Ag12 -81(4) . . . . ?
C189 C190 C203 C198 60.4(16) . . . . ?
C189 C190 C203 C202 -122.3(13) . . . . ?
C189 C197 C207 C206 -170.1(19) . . . . ?
C189 C197 C208 C204 179(2) . . . . ?
C190 C189 C197 C207 -131(2) . . . . ?
C190 C189 C197 C208 52(3) . . . . ?
C191 C192 C193 C119 175.5(17) . . . . ?
C191 C192 C193 C194 0.0 . . . . ?
C192 C191 C196 C195 0.0 . . . . ?
C192 C193 C194 C195 0.0 . . . . ?
C193 C194 C195 C196 0.0 . . . . ?
C194 C195 C196 C191 0.0 . . . . ?
C196 C191 C192 C193 0.0 . . . . ?
C197 C189 C190 C58 18(3) . . . . ?
C197 C189 C190 C203 -171.1(11) . . . . ?
C198 C199 C200 C201 0.0 . . . . ?
C199 C198 C203 C190 177.3(11) . . . . ?
C199 C198 C203 C202 0.0 . . . . ?
C199 C200 C201 C202 0.0 . . . . ?
C200 C201 C202 C203 0.0 . . . . ?
C201 C202 C203 C190 -177.4(10) . . . . ?
C201 C202 C203 C198 0.0 . . . . ?
C203 C198 C199 C200 0.0 . . . . ?
C204 C205 C206 C207 1(4) . . . . ?
C205 C204 C208 C197 -9(4) . . . . ?
C205 C206 C207 C197 -9(3) . . . . ?
C207 C197 C208 C204 2(4) . . . . ?
C208 C197 C207 C206 7(3) . . . . ?
C208 C204 C205 C206 7(4) . . . . ?
C0AA C8AA C2BA C9AA -5(3) . . . . ?
C2AA C5AA C0BA C1BA 2(4) . . . . ?
C3AA C1AA C1BA C0BA -2(5) . . . . ?
C3AA C2AA C5AA C0BA -7(5) . . . . ?
C5AA C2AA C3AA C1AA 7(5) . . . . ?
C5AA C0BA C1BA C1AA 2(5) . . . . ?
C6AA C9AA C2BA C8AA 6(3) . . . . ?
C7AA C0AA C8AA C2BA 0(3) . . . . ?
C7AA C6AA C9AA C2BA -2(3) . . . . ?
C8AA C0AA C7AA C29 176.1(16) . . . . ?
C8AA C0AA C7AA C6AA 4(3) . . . . ?
C9AA C6AA C7AA C29 -174.8(14) . . . . ?
C9AA C6AA C7AA C0AA -3(2) . . . . ?
C1BA C1AA C3AA C2AA -3(5) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.000 0.500 -0.463 1194.6 287.2 ?
2 0.500 0.000 0.500 42.8 4.8 ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.503
_oxdiff_exptl_absorpt_empirical_full_min 0.702
