# Electronic Supplementary Material (ESI) for Nanoscale.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# 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_exp_1376
_database_code_depnum_ccdc_archive 'CCDC 2080269'
loop_
_audit_author_name
_audit_author_address
'shuxin wang'
;Qingdao University of Science and Technology
China
;
_audit_update_record             
;
2021-04-27 deposited with the CCDC.	2022-05-17 downloaded from the CCDC.
;
_audit_creation_date             2021-04-27
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        'AgCd alloy protected by cyclohexylmereaptan'
_chemical_formula_moiety         'C216 H390 Ag32 Cd12 S36'
_chemical_formula_sum            'C216 H390 Ag32 Cd12 S36'
_chemical_formula_weight         8942.06
_chemical_absolute_configuration ?
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cd Cd 0.1185 4.6533 '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           29
_space_group_name_H-M_alt        'P c a 21'
_space_group_name_Hall           'P 2c -2ac'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z+1/2'
'x+1/2, -y, z'
'-x+1/2, y, z+1/2'

_cell_length_a                   30.8174(5)
_cell_length_b                   28.5803(9)
_cell_length_c                   39.1573(7)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     34488.6(14)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    22759
_cell_measurement_temperature    170
_cell_measurement_theta_max      68.9040
_cell_measurement_theta_min      2.8380
_shelx_estimated_absorpt_T_max   0.269
_shelx_estimated_absorpt_T_min   0.175
_exptl_absorpt_coefficient_mu    22.257
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.02492
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.84a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            black
_exptl_crystal_colour_primary    black
_exptl_crystal_density_diffrn    1.722
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             17368
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.08
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1318
_diffrn_reflns_av_unetI/netI     0.1380
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       36
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       46
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            109831
_diffrn_reflns_point_group_measured_fraction_full 0.765
_diffrn_reflns_point_group_measured_fraction_max 0.765
_diffrn_reflns_theta_full        64.997
_diffrn_reflns_theta_max         64.997
_diffrn_reflns_theta_min         2.868
_diffrn_ambient_temperature      170
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_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    -26.00  26.00   0.80    3.27    --  -48.45  19.00  90.00   65
  2  ω    -19.00  26.60   0.80    3.27    --  -48.45  19.00-180.00   57
  3  ω   -116.00 -72.00   0.80    3.27    --  -48.45-142.00-176.00   55
  4  ω    -41.00 -13.80   0.80   13.09    --  -86.25  38.00 -60.00   34
  5  ω   -154.00 -75.60   0.80   13.09    --  -86.25-128.00  -4.00   98
  6  ω    131.00 177.40   0.80   13.09    --  106.49  95.00 178.00   58
  7  ω    106.00 176.40   0.80   13.09    --  106.49  19.00  90.00   88
  8  ω     97.00 158.60   0.80   13.09    --  106.49  28.00  15.00   77
  9  ω     51.00 110.20   0.80   13.09    --  106.49-125.00 120.00   74
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0454738000
_diffrn_orient_matrix_UB_12      0.0255796000
_diffrn_orient_matrix_UB_13      0.0062184000
_diffrn_orient_matrix_UB_21      0.0286640000
_diffrn_orient_matrix_UB_22      -0.0389000000
_diffrn_orient_matrix_UB_23      -0.0130933000
_diffrn_orient_matrix_UB_31      -0.0025994000
_diffrn_orient_matrix_UB_32      0.0182136000
_diffrn_orient_matrix_UB_33      -0.0365849000
_diffrn_oxdiff_digest_frames     
;
0174262b5e496261fa50090b8b0aee6b4d00027d2ec
;
_diffrn_oxdiff_digest_hkl        
;
018d2ce27a06f25b3e9641a01cd73b43f88044
;
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_reflns_Friedel_coverage         0.512
_reflns_Friedel_fraction_full    0.527
_reflns_Friedel_fraction_max     0.527
_reflns_number_gt                24899
_reflns_number_total             44911
_reflns_odcompleteness_completeness 98.68
_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. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.40.84a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.40.84a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.40.84a (Rigaku OD, 2020)'
_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    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.957
_refine_diff_density_min         -1.234
_refine_diff_density_rms         0.229
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.485(9)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.970
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2666
_refine_ls_number_reflns         44911
_refine_ls_number_restraints     3951
_refine_ls_R_factor_all          0.1419
_refine_ls_R_factor_gt           0.0923
_refine_ls_restrained_S_all      0.934
_refine_ls_shift/su_max          0.056
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1579P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2333
_refine_ls_wR_factor_ref         0.2655
_refine_special_details          SQUEEZE
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.515(9)
 0.485(9)
2. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
3. Restrained distances
 C68-C173 = C87-C173 = C87-C276 = C68-C1CA
 1.45 with sigma of 0.03
 C4CA-C40 = C40-C126 = C134-C126 = C2DA-C134 = C2DA-C1DA = C4CA-C1DA
 1.45 with sigma of 0.03
 C9-C1BA = C55-C1BA = C55-C3CA = C3CA-C2CA = C2CA-C286 = C9-C286
 1.45 with sigma of 0.03
 C3AA-C2AA = C5AA-C2AA = C5AA-C3DA = C4AA-C3DA = C59-C4AA = C59-C3AA
 1.45 with sigma of 0.03
 C93-C63 = C63-C33 = C8BA-C33 = C8BA-C152 = C61-C152 = C93-C61
 1.45 with sigma of 0.03
 C83-C27 = C83-C295 = C295-C218 = C6DA-C218 = C6DA-C280 = C280-C27
 1.45 with sigma of 0.03
 C218-C280
 2.5 with sigma of 0.03
 C9AA-C43 = C9BA-C9AA = C9BA-C285 = C285-C163 = C85-C163 = C85-C43
 1.45 with sigma of 0.03
 C60-C6 = C6-C154 = C7DA-C154 = C7DA-C171 = C171-C137 = C60-C137
 1.45 with sigma of 0.03
 C154-C171
 2.5 with sigma of 0.03
 C171-C60
 2.5 with sigma of 0.03
 C8DA-C35 = C35-C202 = C202-C130 = C180-C130 = C22-C180 = C8DA-C22
 1.45 with sigma of 0.03
 C2DA-C126
 2.5 with sigma of 0.03
 C134-C1DA
 2.5 with sigma of 0.03
 C1DA-C40
 2.5 with sigma of 0.03
 C3BA-C102 = C213-C102 = C4BA-C213 = C4BA-C138 = C5CA-C138 = C5CA-C3BA
 1.45 with sigma of 0.03
 C3BA-C213
 2.5 with sigma of 0.03
 C102-C4BA
 2.5 with sigma of 0.03
 C138-C213
 2.5 with sigma of 0.03
 C138-C3BA
 2.5 with sigma of 0.03
 C113-C277
 2.5 with sigma of 0.03
 C7BA-C277 = C7BA-C113 = C190-C113 = C239-C190 = C239-C229 = C277-C229
 1.45 with sigma of 0.03
 C157-C107 = C147-C107 = C267-C147 = C267-C178
 1.45 with sigma of 0.03
 C21-C0BA = C168-C0BA = C169-C168 = C169-C11 = C11-C0DA = C21-C0DA
 1.45 with sigma of 0.03
 C21-C168
 2.5 with sigma of 0.03
 C0BA-C169
 2.5 with sigma of 0.03
 C168-C11
 2.5 with sigma of 0.03
 C169-C0DA
 2.5 with sigma of 0.03
 C0DA-C0BA
 2.5 with sigma of 0.03
 C56-C25 = C41-C25 = C90-C41 = C90-C28 = C7CA-C28 = C7CA-C56
 1.45 with sigma of 0.03
 C56-C41
 2.5 with sigma of 0.03
 C25-C90
 2.5 with sigma of 0.03
 C90-C7CA
 2.5 with sigma of 0.03
 C7CA-C25
 2.5 with sigma of 0.03
 C5BA-C193 = C193-C0EA = C6BA-C4DA = C5BA-C4DA
 1.45 with sigma of 0.03
 C5BA-C0EA
 2.5 with sigma of 0.03
 C0EA-C6BA
 2.5 with sigma of 0.03
 C6BA-C5BA
 2.5 with sigma of 0.03
 C20-C2 = C7-C2 = C7-C32 = C96-C32 = C96-C1AA = C20-C1AA
 1.45 with sigma of 0.03
 C20-C7
 2.5 with sigma of 0.03
 C2-C32
 2.5 with sigma of 0.03
 C7-C96
 2.5 with sigma of 0.03
 C32-C1AA
 2.5 with sigma of 0.03
 C96-C20
 2.5 with sigma of 0.03
 C9DA-C157 = C157-C107 = C147-C107 = C267-C147 = C267-C178 = C9DA-C178
 1.45 with sigma of 0.03
 C9DA-C107
 2.5 with sigma of 0.03
 C157-C147
 2.5 with sigma of 0.03
 C107-C267
 2.5 with sigma of 0.03
 C147-C178
 2.5 with sigma of 0.03
 C267-C9DA
 2.5 with sigma of 0.03
 C8AA-C1EA = C6CA-C1EA = C6CA-C3EA = C44-C3EA = C44-C2EA = C8AA-C2EA
 1.45 with sigma of 0.03
 C8AA-C44
 2.5 with sigma of 0.03
 C2EA-C3EA
 2.5 with sigma of 0.03
 C44-C6CA
 2.5 with sigma of 0.03
 C3EA-C1EA
 2.5 with sigma of 0.03
 C6CA-C8AA
 2.5 with sigma of 0.03
 C84-C142 = C84-C66 = C66-C103 = C293-C103 = C4EA-C293 = C4EA-C142
 1.45 with sigma of 0.03
 C142-C66
 2.5 with sigma of 0.03
 C84-C103
 2.5 with sigma of 0.03
 C66-C293
 2.5 with sigma of 0.03
 C103-C4EA
 2.5 with sigma of 0.03
 C293-C142
 2.5 with sigma of 0.03
 C68-C173 = C87-C173 = C87-C276 = C276-C146 = C1CA-C146 = C68-C1CA
 1.45 with sigma of 0.03
 C68-C87
 2.5 with sigma of 0.03
 C173-C276
 2.5 with sigma of 0.03
 C87-C146
 2.5 with sigma of 0.03
 C276-C1CA
 2.5 with sigma of 0.03
 C146-C68
 2.5 with sigma of 0.03
 C5CA-C102
 2.5 with sigma of 0.03
 C3BA-C138
 2.5 with sigma of 0.03
 C5CA-C4BA
 2.5 with sigma of 0.03
 C4BA-C102
 2.5 with sigma of 0.03
 C213-C3BA
 2.5 with sigma of 0.03
 C8CA-C7AA = C8CA-C7EA = C7EA-C165 = C9EA-C165 = C9EA-C8EA = C8EA-C7AA
 1.45 with sigma of 0.03
 C7AA-C7EA
 2.5 with sigma of 0.03
 C8CA-C165
 2.5 with sigma of 0.03
 C7EA-C9EA
 2.5 with sigma of 0.03
 C165-C8EA
 2.5 with sigma of 0.03
 C9EA-C7AA
 2.5 with sigma of 0.03
 C38-C1FA = C238-C1FA = C238-C185 = C185-C0FA = C101-C0FA = C38-C101
 1.45 with sigma of 0.03
 C38-C238
 2.5 with sigma of 0.03
 C1FA-C185
 2.5 with sigma of 0.03
 C238-C0FA
 2.5 with sigma of 0.03
 C185-C101
 2.5 with sigma of 0.03
 C0FA-C38
 2.5 with sigma of 0.03
 C1FA-C101
 2.5 with sigma of 0.03
 C179-C3FA
 2.5 with sigma of 0.03
 C4FA-C114
 2.5 with sigma of 0.03
 C3FA-C53
 2.5 with sigma of 0.03
 C114-C51
 2.5 with sigma of 0.03
 C53-C179
 2.5 with sigma of 0.03
 C51-C4FA
 2.5 with sigma of 0.03
 C76-C58 = C76-C69 = C97-C69 = C97-C2BA = C2BA-C164 = C58-C164
 1.45 with sigma of 0.03
 C58-C69
 2.5 with sigma of 0.03
 C76-C97
 2.5 with sigma of 0.03
 C69-C2BA
 2.5 with sigma of 0.03
 C97-C164
 2.5 with sigma of 0.03
 C2BA-C58
 2.5 with sigma of 0.03
 C164-C76
 2.5 with sigma of 0.03
 C2BA-C69
 2.5 with sigma of 0.03
 C94-C109 = C94-C139 = C139-C128 = C88-C128 = C88-C195 = C195-C109
 1.45 with sigma of 0.03
 C94-C128
 2.5 with sigma of 0.03
 C139-C88
 2.5 with sigma of 0.03
 C128-C195
 2.5 with sigma of 0.03
 C88-C109
 2.5 with sigma of 0.03
 C195-C94
 2.5 with sigma of 0.03
 C109-C139
 2.5 with sigma of 0.03
 C62-C5 = C62-C268 = C2FA-C268 = C2FA-C177 = C45-C177 = C5-C45
 1.45 with sigma of 0.03
 C5-C268
 2.5 with sigma of 0.03
 C62-C2FA
 2.5 with sigma of 0.03
 C268-C177
 2.5 with sigma of 0.03
 C2FA-C45
 2.5 with sigma of 0.03
 C177-C5
 2.5 with sigma of 0.03
 C45-C62
 2.5 with sigma of 0.03
 C9CA-C82 = C82-C392 = C5FA-C392 = C5FA-C395 = C395-C119 = C9CA-C119
 1.45 with sigma of 0.03
 C9CA-C392
 2.5 with sigma of 0.03
 C82-C5FA
 2.5 with sigma of 0.03
 C392-C395
 2.5 with sigma of 0.03
 C5FA-C119
 2.5 with sigma of 0.03
 C395-C9CA
 2.5 with sigma of 0.03
 C119-C82
 2.5 with sigma of 0.03
 C60-C171
 2.5 with sigma of 0.03
 C137-C7DA
 2.5 with sigma of 0.03
 C171-C154
 2.5 with sigma of 0.03
 C7DA-C6
 2.5 with sigma of 0.03
 C6-C137
 2.5 with sigma of 0.03
 C154-C60
 2.5 with sigma of 0.03
 C61-C63
 2.5 with sigma of 0.03
 C33-C152
 2.5 with sigma of 0.03
 C8BA-C61
 2.5 with sigma of 0.03
 C8BA-C63
 2.5 with sigma of 0.03
 C33-C93
 2.5 with sigma of 0.03
 C93-C152
 2.5 with sigma of 0.03
 C7FA-C6FA = C7FA-C65 = C65-C224 = C252-C224 = C252-C108 = C6FA-C108
 1.45 with sigma of 0.03
 C6FA-C65
 2.5 with sigma of 0.03
 C7FA-C224
 2.5 with sigma of 0.03
 C65-C252
 2.5 with sigma of 0.03
 C224-C108
 2.5 with sigma of 0.03
 C252-C6FA
 2.5 with sigma of 0.03
 C108-C7FA
 2.5 with sigma of 0.03
 C6AA-C393 = C8FA-C6AA = C8FA-C231 = C231-C120 = C312-C120 = C393-C312
 1.45 with sigma of 0.03
 C8FA-C120
 2.5 with sigma of 0.03
 C231-C312
 2.5 with sigma of 0.03
 C120-C393
 2.5 with sigma of 0.03
 C312-C6AA
 2.5 with sigma of 0.03
 C393-C8FA
 2.5 with sigma of 0.03
 C6AA-C231
 2.5 with sigma of 0.03
 C42-C0CA = C294-C0CA
 1.45 with sigma of 0.03
 C294-C42
 2.5 with sigma of 0.03
 C203-C193
 2.5 with sigma of 0.03
 C203-C4DA
 2.5 with sigma of 0.03
 C6BA-C0EA
 2.5 with sigma of 0.03
 C4DA-C193
 2.5 with sigma of 0.03
 C39-C181 = C254-C181 = C254-C198 = C198-C176 = C354-C176 = C39-C354
 1.45 with sigma of 0.03
 C39-C254
 2.5 with sigma of 0.03
 C181-C198
 2.5 with sigma of 0.03
 C254-C176
 2.5 with sigma of 0.03
 C198-C354
 2.5 with sigma of 0.03
 C176-C39
 2.5 with sigma of 0.03
 C354-C181
 2.5 with sigma of 0.03
 C253-C0GA = C306-C253 = C306-C217 = C342-C217 = C342-C116 = C116-C0GA
 1.45 with sigma of 0.03
 C0GA-C306
 2.5 with sigma of 0.03
 C253-C217
 2.5 with sigma of 0.03
 C306-C342
 2.5 with sigma of 0.03
 C217-C116
 2.5 with sigma of 0.03
 C0GA-C342
 2.5 with sigma of 0.03
 C116-C253
 2.5 with sigma of 0.03
 C2GA-C1GA = C78-C2GA = C78-C4GA = C4GA-C47 = C47-C3GA = C3GA-C1GA
 1.45 with sigma of 0.03
 C1GA-C78
 2.5 with sigma of 0.03
 C2GA-C4GA
 2.5 with sigma of 0.03
 C78-C47
 2.5 with sigma of 0.03
 C4GA-C3GA
 2.5 with sigma of 0.03
 C47-C1GA
 2.5 with sigma of 0.03
 C3GA-C2GA
 2.5 with sigma of 0.03
 C3GA-C1GA = C4GA-C47 = C47-C3GA = C78-C4GA = C78-C2GA = C2GA-C1GA
 1.45 with sigma of 0.03
 S26-C1GA
 1.8 with sigma of 0.03
 S26-C2GA = S26-C3GA
 2.6 with sigma of 0.03
 C5GA-C5DA = C5GA-C287 = C287-C186 = C242-C186 = C242-C143 = C5DA-C143
 1.45 with sigma of 0.02
 C5DA-C287
 2.5 with sigma of 0.03
 C5GA-C186
 2.5 with sigma of 0.03
 C287-C242
 2.5 with sigma of 0.03
 C186-C143
 2.5 with sigma of 0.03
 C242-C5DA
 2.5 with sigma of 0.03
 C5GA-C143
 2.5 with sigma of 0.03
 C42-C0CA = C294-C0CA = C304-C294 = C6GA-C304 = C9FA-C42 = C9FA-C6GA
 1.45 with sigma of 0.02
 C0CA-C304
 2.5 with sigma of 0.03
 C294-C6GA
 2.5 with sigma of 0.03
 C304-C9FA
 2.5 with sigma of 0.03
 C6GA-C42
 2.5 with sigma of 0.03
 C9FA-C0CA
 2.5 with sigma of 0.03
 C42-C294
 2.5 with sigma of 0.03
 C282-C158 = C158-C111 = C282-C127 = C127-C125 = C125-C117 = C117-C111
 1.45 with sigma of 0.02
 C117-C127
 2.5 with sigma of 0.03
 C125-C282
 2.5 with sigma of 0.03
 C127-C158
 2.5 with sigma of 0.03
 C282-C111
 2.5 with sigma of 0.03
 C111-C125
 2.5 with sigma of 0.03
 C158-C117
 2.5 with sigma of 0.03
 C4FA-C179 = C4FA-C3FA = C3FA-C114 = C53-C114 = C53-C51 = C51-C179
 1.45 with sigma of 0.01
 H39B-H66B
 2.1 with sigma of 0.01
 C13-C0AA = C37-C0AA = C57-C37 = C57-C135 = C18-C135 = C18-C13
 1.45 with sigma of 0.01
 C0AA-C18
 2.5 with sigma of 0.02
 C13-C135
 2.5 with sigma of 0.02
 C18-C57
 2.5 with sigma of 0.02
 C57-C0AA
 2.5 with sigma of 0.02
 C135-C37
 2.5 with sigma of 0.02
 C37-C13
 2.5 with sigma of 0.02
 C239-C229 = C277-C229 = C7BA-C277 = C7BA-C113 = C190-C113 = C239-C190
 1.45 with sigma of 0.01
 C229-C7BA
 2.5 with sigma of 0.02
 C277-C113
 2.5 with sigma of 0.02
 C7BA-C190
 2.5 with sigma of 0.02
 C113-C239
 2.5 with sigma of 0.02
 C190-C229
 2.5 with sigma of 0.02
 C239-C277
 2.5 with sigma of 0.02
 C190-C7BA
 2.5 with sigma of 0.02
 C9-C1BA = C55-C3CA = C3CA-C2CA = C2CA-C286 = C9-C286 = C55-C1BA
 1.45 with sigma of 0.01
 C9-C55
 2.5 with sigma of 0.02
 C1BA-C3CA
 2.5 with sigma of 0.02
 C3CA-C286
 2.5 with sigma of 0.02
 C2CA-C9
 2.5 with sigma of 0.02
 C286-C1BA
 2.5 with sigma of 0.02
 C55-C2CA
 2.5 with sigma of 0.02
 C52-C24 = C72-C24 = C77-C72 = C81-C77 = C81-C54 = C54-C52
 1.45 with sigma of 0.01
 C24-C77
 2.5 with sigma of 0.02
 C72-C81
 2.5 with sigma of 0.02
 C77-C54
 2.5 with sigma of 0.02
 C81-C52
 2.5 with sigma of 0.02
 C54-C24
 2.5 with sigma of 0.02
 C52-C72
 2.5 with sigma of 0.02
 C54-C77
 2.5 with sigma of 0.02
 S10-C83
 1.8 with sigma of 0.02
 C83-C295 = C295-C218 = C6DA-C218 = C6DA-C280 = C280-C27 = C83-C27
 1.45 with sigma of 0.01
 C83-C280
 2.5 with sigma of 0.02
 C27-C6DA
 2.5 with sigma of 0.02
 C280-C218
 2.5 with sigma of 0.02
 C6DA-C295
 2.5 with sigma of 0.02
 C218-C83
 2.5 with sigma of 0.02
 C295-C27
 2.5 with sigma of 0.02
 H83-H27A
 2.05 with sigma of 0.01
 H83-H29F
 2.05 with sigma of 0.01
 C83-C27 = C83-C295
 1.5 with sigma of 0.01
 H19E_$1-H16I_$2
 2.02 with sigma of 0.01
 H16D_$1-H6DA_$3
 2.02 with sigma of 0.01
 C76-C58 = C58-C164
 1.45 with sigma of 0.02
 C82-S5 \\sim S5-C119
 with sigma of 0.02
 C8FA-S11 \\sim S11-C393
 with sigma of 0.02
 C295-S10 \\sim S10-C27
 with sigma of 0.02
 C193-S27 \\sim S27-C4DA
 with sigma of 0.02
 C2GA-S26 \\sim S26-C3GA
 with sigma of 0.02
4. Restrained planarity
 C27, C218, C280, C295
 with sigma of 0.1
 C1DA, C2DA, C40, C126
 with sigma of 0.1
 C0FA, C1FA, C101, C238
 with sigma of 0.1
 C2BA, C69, C76, C164
 with sigma of 0.1
 C3FA, C4FA, C51, C53
 with sigma of 0.1
 C0BA, C0DA, C11, C168
 with sigma of 0.1
 C9BA, C43, C85, C285
 with sigma of 0.1
 C109, C128, C139, C195
 with sigma of 0.1
 C45, C62, C177, C268
 with sigma of 0.1
 C0EA, C4DA, C6BA, C193
 with sigma of 0.1
 C4EA, C66, C84, C293
 with sigma of 0.1
 C82, C119, C392, C395
 with sigma of 0.1
 C7DA, C60, C137, C154
 with sigma of 0.1
 C7FA, C65, C108, C252
 with sigma of 0.1
 C8FA, C231, C312, C393
 with sigma of 0.1
 C176, C181, C254, C354
 with sigma of 0.1
 C116, C253, C306, C342
 with sigma of 0.1
 C2GA, C3GA, C47, C78
 with sigma of 0.1
 C5GA, C143, C242, C287
 with sigma of 0.1
 C9FA, C42, C294, C304
 with sigma of 0.1
 C190, C239, C7BA, C277
 with sigma of 0.1
 C1BA, C286, C2CA, C55
 with sigma of 0.1
 C33, C152, C61, C63
 with sigma of 0.1
 C267, C178, C157, C107
 with sigma of 0.1
5. Uiso/Uaniso restraints and constraints
C0AA \\sim C0BA \\sim C0CA \\sim C0DA \\sim C0EA \\sim C0FA \\sim C0GA \\sim
C1AA \\sim C1BA \\sim C1CA \\sim C1DA \\sim C1EA \\sim C1FA \\sim C1GA \\sim C2
\\sim C2AA \\sim C2BA \\sim C2CA \\sim C2DA \\sim C2EA \\sim C2FA \\sim C2GA
\\sim C3AA \\sim C3BA \\sim C3CA \\sim C3DA \\sim C3EA \\sim C3FA \\sim C3GA
\\sim C4AA \\sim C4BA \\sim C4CA \\sim C4DA \\sim C4EA \\sim C4FA \\sim C4GA
\\sim C5 \\sim C5AA \\sim C5BA \\sim C5CA \\sim C5DA \\sim C5FA \\sim C5GA
\\sim C6 \\sim C6AA \\sim C6BA \\sim C6CA \\sim C6DA \\sim C6FA \\sim C6GA
\\sim C7 \\sim C7AA \\sim C7BA \\sim C7CA \\sim C7DA \\sim C7EA \\sim C7FA
\\sim C8 \\sim C8AA \\sim C8BA \\sim C8CA \\sim C8DA \\sim C8EA \\sim C8FA
\\sim C9 \\sim C9AA \\sim C9BA \\sim C9CA \\sim C9DA \\sim C9EA \\sim C9FA
\\sim C11 \\sim C13 \\sim C16 \\sim C18 \\sim C19 \\sim C20 \\sim C21 \\sim C22
\\sim C24 \\sim C25 \\sim C27 \\sim C28 \\sim C30 \\sim C32 \\sim C33 \\sim C35
\\sim C37 \\sim C38 \\sim C39 \\sim C40 \\sim C41 \\sim C42 \\sim C43 \\sim C44
\\sim C45 \\sim C47 \\sim C50 \\sim C51 \\sim C52 \\sim C53 \\sim C54 \\sim C55
\\sim C56 \\sim C57 \\sim C58 \\sim C59 \\sim C60 \\sim C61 \\sim C62 \\sim C63
\\sim C65 \\sim C66 \\sim C68 \\sim C69 \\sim C72 \\sim C76 \\sim C77 \\sim C78
\\sim C81 \\sim C82 \\sim C83 \\sim C84 \\sim C85 \\sim C87 \\sim C88 \\sim C90
\\sim C93 \\sim C94 \\sim C96 \\sim C97 \\sim C98 \\sim C101 \\sim C102 \\sim
C103 \\sim C107 \\sim C108 \\sim C109 \\sim C111 \\sim C113 \\sim C114 \\sim
C116 \\sim C117 \\sim C119 \\sim C120 \\sim C125 \\sim C126 \\sim C127 \\sim
C128 \\sim C130 \\sim C134 \\sim C135 \\sim C137 \\sim C138 \\sim C139 \\sim
C142 \\sim C143 \\sim C146 \\sim C147 \\sim C152 \\sim C154 \\sim C157 \\sim
C158 \\sim C163 \\sim C164 \\sim C165 \\sim C168 \\sim C169 \\sim C171 \\sim
C173 \\sim C176 \\sim C177 \\sim C178 \\sim C179 \\sim C180 \\sim C181 \\sim
C185 \\sim C186 \\sim C190 \\sim C193 \\sim C195 \\sim C198 \\sim C202 \\sim
C203 \\sim C213 \\sim C217 \\sim C218 \\sim C224 \\sim C229 \\sim C231 \\sim
C238 \\sim C239 \\sim C242 \\sim C252 \\sim C253 \\sim C254 \\sim C267 \\sim
C268 \\sim C276 \\sim C277 \\sim C280 \\sim C282 \\sim C285 \\sim C286 \\sim
C287 \\sim C293 \\sim C294 \\sim C295 \\sim C304 \\sim C306 \\sim C312 \\sim
C342 \\sim C354 \\sim C392 \\sim C393 \\sim C395: within 3.8A with sigma of
0.01 and sigma for terminal atoms of 0.02
S27 \\sim C0EA \\sim C4DA \\sim C5BA \\sim C6BA \\sim C193 \\sim C203: within
2A with sigma of 0.01 and sigma for terminal atoms of 0.02
S29 \\sim C0GA \\sim C116 \\sim C217 \\sim C253 \\sim C306 \\sim C342: within
2A with sigma of 0.01 and sigma for terminal atoms of 0.02
S26 \\sim C1GA \\sim C2GA \\sim C3GA \\sim C4GA \\sim C47 \\sim C78: within 2A
with sigma of 0.01 and sigma for terminal atoms of 0.02
S28 \\sim C111 \\sim C117 \\sim C125 \\sim C127 \\sim C158 \\sim C282: within
2A with sigma of 0.01 and sigma for terminal atoms of 0.02
S28 \\sim C111 \\sim C117 \\sim C125 \\sim C127 \\sim C282 \\sim C158: within
3.8A with sigma of 0.01 and sigma for terminal atoms of 0.02
S4 \\sim C6 \\sim C154 \\sim C7DA \\sim C171 \\sim C137 \\sim C60: within 3.8A
with sigma of 0.01 and sigma for terminal atoms of 0.02
S25 \\sim C21 \\sim C0BA \\sim C168 \\sim C169 \\sim C11 \\sim C0DA: within
3.8A with sigma of 0.01 and sigma for terminal atoms of 0.02
S7 \\sim C56 \\sim C7CA \\sim C28 \\sim C90 \\sim C41 \\sim C25: within 3.8A
with sigma of 0.01 and sigma for terminal atoms of 0.02
6.a Ternary CH refined with riding coordinates:
 C0AA(H0AA), C0CA(H0CA), C0GA(H0GA), C1GA(H1GA), C2AA(H2AA), C3BA(H3BA),
 C4CA(H4CA), C5(H5), C5BA(H5BA), C5DA(H5DA), C6(H6), C6AA(H6AA), C6FA(H6FA),
 C7AA(H7AA), C8AA(H8AA), C8DA(H8DA), C9AA(H9AA), C9DA(H9DA), C16(H16), C20(H20),
  C21(H21), C24(H24), C38(H38), C39(H39), C56(H56), C58(H58), C83(H83),
 C93(H93), C94(H94), C111(H111), C142(H142), C179(H179)
6.b Secondary CH2 refined with riding coordinates:
 C0BA(H0BA,H0BB), C0DA(H0DA,H0DB), C0EA(H0EA,H0EB), C0FA(H0FA,H0FB), C1AA(H1AA,
 H1AB), C1BA(H1BA,H1BB), C1CA(H1CA,H1CB), C1DA(H1DA,H1DB), C1EA(H1EA,H1EB),
 C1FA(H1FA,H1FB), C2(H2A,H2B), C2BA(H2BA,H2BB), C2CA(H2CA,H2CB), C2DA(H2DA,
 H2DB), C2EA(H2EA,H2EB), C2FA(H2FA,H2FB), C2GA(H2GA,H2GB), C3AA(H3AA,H3AB),
 C3CA(H3CA,H3CB), C3DA(H3DA,H3DB), C3EA(H3EA,H3EB), C3FA(H3FA,H3FB), C3GA(H3GA,
 H3GB), C4AA(H4AA,H4AB), C4BA(H4BA,H4BB), C4DA(H4DA,H4DB), C4EA(H4EA,H4EB),
 C4FA(H4FA,H4FB), C4GA(H4GA,H4GB), C5AA(H5AA,H5AB), C5CA(H5CA,H5CB), C5FA(H5FA,
 H5FB), C5GA(H5GA,H5GB), C6BA(H6BA,H6BB), C6CA(H6CA,H6CB), C6DA(H6DA,H6DB),
 C6GA(H6GA,H6GB), C7(H7A,H7B), C7BA(H7BA,H7BB), C7CA(H7CA,H7CB), C7DA(H7DA,
 H7DB), C7EA(H7EA,H7EB), C7FA(H7FA,H7FB), C8(H8A,H8B), C8BA(H8BA,H8BB),
 C8CA(H8CA,H8CB), C8EA(H8EA,H8EB), C8FA(H8FA,H8FB), C9BA(H9BA,H9BB), C9EA(H9EA,
 H9EB), C9FA(H9FA,H9FB), C11(H11A,H11B), C13(H13A,H13B), C18(H18A,H18B),
 C22(H22A,H22B), C25(H25A,H25B), C27(H27A,H27B), C28(H28A,H28B), C30(H30A,H30B),
  C32(H32A,H32B), C33(H33A,H33B), C35(H35A,H35B), C37(H37A,H37B), C40(H40A,
 H40B), C41(H41A,H41B), C42(H42A,H42B), C43(H43A,H43B), C44(H44A,H44B),
 C45(H45A,H45B), C47(H47A,H47B), C50(H50A,H50B), C51(H51A,H51B), C52(H52A,H52B),
  C53(H53A,H53B), C54(H54A,H54B), C55(H55A,H55B), C57(H57A,H57B), C59(H59A,
 H59B), C60(H60A,H60B), C61(H61A,H61B), C62(H62A,H62B), C63(H63A,H63B),
 C65(H65A,H65B), C66(H66A,H66B), C69(H69A,H69B), C72(H72A,H72B), C76(H76A,H76B),
  C77(H77A,H77B), C78(H78A,H78B), C81(H81A,H81B), C82(H82A,H82B), C84(H84A,
 H84B), C85(H85A,H85B), C87(H87A,H87B), C88(H88A,H88B), C90(H90A,H90B),
 C96(H96A,H96B), C97(H97A,H97B), C101(H10A,H10B), C102(H10C,H10D), C103(H10E,
 H10F), C107(H10G,H10H), C108(H10I,H10J), C109(H10K,H10L), C113(H11C,H11D),
 C114(H11E,H11F), C116(H11G,H11H), C117(H11I,H11J), C119(H11K,H11L), C120(H12A,
 H12B), C125(H12C,H12D), C126(H12E,H12F), C127(H12G,H12H), C128(H12I,H12J),
 C130(H13C,H13D), C134(H13E,H13F), C135(H13G,H13H), C137(H13I,H13J), C138(H13K,
 H13L), C139(H13M,H13N), C143(H14A,H14B), C146(H14C,H14D), C147(H14E,H14F),
 C152(H15A,H15B), C154(H15C,H15D), C157(H15E,H15F), C158(H15G,H15H), C163(H16A,
 H16B), C164(H16C,H16D), C165(H16E,H16F), C168(H16G,H16H), C169(H16I,H16J),
 C171(H17A,H17B), C173(H17C,H17D), C176(H17E,H17F), C177(H17G,H17H), C178(H17I,
 H17J), C180(H18C,H18D), C181(H18E,H18F), C185(H18G,H18H), C186(H18I,H18J),
 C190(H19A,H19B), C193(H19C,H19D), C195(H19E,H19F), C198(H19G,H19H), C202(H20A,
 H20B), C203(H20C,H20D), C213(H21A,H21B), C217(H21C,H21D), C218(H21E,H21F),
 C224(H22C,H22D), C231(H23A,H23B), C238(H23C,H23D), C239(H23E,H23F), C242(H24A,
 H24B), C252(H25C,H25D), C253(H25E,H25F), C254(H25G,H25H), C267(H26A,H26B),
 C268(H26C,H26D), C276(H27C,H27D), C277(H27E,H27F), C280(H28C,H28D), C282(H28E,
 H28F), C285(H28G,H28H), C286(H28I,H28J), C287(H28K,H28L), C293(H29A,H29B),
 C294(H29C,H29D), C295(H29E,H29F), C304(H30C,H30D), C306(H30E,H30F), C312(H31A,
 H31B), C342(H34A,H34B), C354(H35C,H35D), C392(H39A,H39B), C393(H39C,H39D),
 C395(H39E,H39F)
6.c Aromatic/amide H refined with riding coordinates:
 C19(H19), C98(H98)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Cd1 Cd 0.43429(9) 0.83409(12) 0.35215(7) 0.0789(8) Uani 1 1 d . . . . .
Cd2 Cd 0.48383(10) 0.68647(14) 0.37158(7) 0.0902(9) Uani 1 1 d . . . . .
Cd3 Cd 0.55163(8) 0.80454(13) 0.41610(7) 0.0848(9) Uani 1 1 d . . . . .
Cd4 Cd 0.38542(11) 0.52722(14) 0.55261(9) 0.0979(10) Uani 1 1 d . . . . .
Cd5 Cd 0.50446(10) 0.60369(15) 0.58791(10) 0.1016(11) Uani 1 1 d . . . . .
Cd6 Cd 0.38134(9) 0.61278(14) 0.64674(8) 0.0910(10) Uani 1 1 d . . . . .
Cd7 Cd 0.39597(8) 0.99013(12) 0.54593(8) 0.0820(8) Uani 1 1 d . . . . .
Cd8 Cd 0.46524(9) 0.90486(13) 0.62622(7) 0.0851(9) Uani 1 1 d . . . . .
Cd9 Cd 0.32298(9) 0.92413(13) 0.63058(8) 0.0854(9) Uani 1 1 d . . . . .
Cd10 Cd 0.17029(8) 0.82652(15) 0.45225(7) 0.0903(10) Uani 1 1 d . . . . .
Cd11 Cd 0.19611(10) 0.68386(13) 0.41665(8) 0.0883(9) Uani 1 1 d . . . . .
Cd12 Cd 0.15444(9) 0.70818(15) 0.52655(7) 0.0916(10) Uani 1 1 d . . . . .
Ag1 Ag 0.33694(7) 0.75471(12) 0.54690(6) 0.0698(7) Uani 1 1 d . . . . .
Ag2 Ag 0.35477(7) 0.80825(11) 0.48634(6) 0.0702(7) Uani 1 1 d . . . . .
Ag3 Ag 0.36222(8) 0.70678(12) 0.48564(7) 0.0779(8) Uani 1 1 d . . . . .
Ag4 Ag 0.42404(8) 0.76386(12) 0.52221(7) 0.0759(8) Uani 1 1 d . . . . .
Ag5 Ag 0.28439(8) 0.86487(12) 0.47055(7) 0.0785(8) Uani 1 1 d . . . . .
Ag6 Ag 0.34971(8) 0.84508(12) 0.42053(7) 0.0760(8) Uani 1 1 d . . . . .
Ag7 Ag 0.36919(9) 0.90421(13) 0.47745(7) 0.0805(8) Uani 1 1 d . . . . .
Ag8 Ag 0.32838(8) 0.85946(12) 0.54015(7) 0.0755(8) Uani 1 1 d . . . . .
Ag9 Ag 0.42431(8) 0.85719(13) 0.52774(7) 0.0773(8) Uani 1 1 d . . . . .
Ag10 Ag 0.28980(8) 0.80689(12) 0.59578(7) 0.0764(8) Uani 1 1 d . . . . .
Ag11 Ag 0.38754(7) 0.80745(12) 0.58774(6) 0.0755(8) Uani 1 1 d . . . . .
Ag12 Ag 0.47819(8) 0.79568(13) 0.57340(7) 0.0830(9) Uani 1 1 d . . . . .
Ag13 Ag 0.26605(8) 0.79259(12) 0.51926(7) 0.0770(8) Uani 1 1 d . . . . .
Ag14 Ag 0.29487(8) 0.76417(13) 0.44772(7) 0.0803(9) Uani 1 1 d . . . . .
Ag15 Ag 0.38168(8) 0.75013(12) 0.42565(7) 0.0781(8) Uani 1 1 d . . . . .
Ag16 Ag 0.43366(8) 0.82625(12) 0.45935(6) 0.0719(7) Uani 1 1 d . . . . .
Ag17 Ag 0.50462(8) 0.80154(13) 0.50427(8) 0.0842(9) Uani 1 1 d . . . . .
Ag18 Ag 0.50017(8) 0.71259(14) 0.53765(8) 0.0878(10) Uani 1 1 d . . . . .
Ag19 Ag 0.41714(8) 0.71439(13) 0.58013(7) 0.0829(9) Uani 1 1 d . . . . .
Ag20 Ag 0.33510(8) 0.72504(12) 0.61484(7) 0.0751(8) Uani 1 1 d . . . . .
Ag21 Ag 0.25996(8) 0.71683(12) 0.57249(7) 0.0767(8) Uani 1 1 d . . . . .
Ag22 Ag 0.27899(8) 0.69132(13) 0.50216(7) 0.0788(8) Uani 1 1 d . . . . .
Ag23 Ag 0.31495(10) 0.66667(14) 0.43237(7) 0.0875(9) Uani 1 1 d . . . . .
Ag24 Ag 0.40496(10) 0.64919(14) 0.43945(8) 0.0897(10) Uani 1 1 d . . . . .
Ag25 Ag 0.45968(8) 0.72350(13) 0.46703(7) 0.0788(8) Uani 1 1 d . . . . .
Ag26 Ag 0.33956(9) 0.66133(13) 0.55226(7) 0.0807(8) Uani 1 1 d . . . . .
Ag27 Ag 0.34450(10) 0.61257(14) 0.48759(8) 0.0894(9) Uani 1 1 d . . . . .
Ag28 Ag 0.42635(9) 0.65885(14) 0.51520(8) 0.0876(9) Uani 1 1 d . . . . .
Ag29 Ag 0.10050(10) 0.72651(17) 0.44906(9) 0.1032(12) Uani 1 1 d . . . . .
Ag30 Ag 0.44072(12) 0.51741(16) 0.63186(11) 0.1104(12) Uani 1 1 d . . . . .
Ag31 Ag 0.41164(17) 1.00786(17) 0.63276(12) 0.1246(14) Uani 1 1 d . . . . .
Ag32 Ag 0.53623(11) 0.78659(16) 0.32981(8) 0.1009(11) Uani 1 1 d . . . . .
S1 S 0.6020(4) 0.7938(6) 0.3657(3) 0.110(4) Uani 1 1 d . . . . .
S01K S 0.3572(3) 0.8595(5) 0.3578(3) 0.086(3) Uani 1 1 d . . . . .
S2 S 0.5189(4) 0.7013(5) 0.3159(2) 0.100(4) Uani 1 1 d . . . . .
S3 S 0.4897(3) 0.8502(5) 0.3063(3) 0.088(3) Uani 1 1 d . . . . .
S4 S 0.5218(3) 0.7222(4) 0.4248(3) 0.081(3) Uani 1 1 d . U . . .
S5 S 0.4581(4) 0.6135(5) 0.3970(3) 0.100(4) Uani 1 1 d D . . . .
S6 S 0.4200(3) 0.7495(4) 0.3693(2) 0.067(2) Uani 1 1 d . . . . .
S7 S 0.4783(3) 0.8467(5) 0.4071(2) 0.083(3) Uani 1 1 d . U . . .
S8 S 0.5615(3) 0.8438(4) 0.4729(2) 0.082(3) Uani 1 1 d . . . . .
S9 S 0.4226(5) 0.4624(5) 0.5822(3) 0.105(4) Uani 1 1 d . . . . .
S10 S 0.5169(4) 0.5467(5) 0.6325(4) 0.109(4) Uani 1 1 d D . . . .
S11 S 0.3878(3) 0.5355(6) 0.6755(3) 0.110(4) Uani 1 1 d D . . . .
S12 S 0.5536(4) 0.6505(5) 0.5499(3) 0.099(4) Uani 1 1 d . . . . .
S13 S 0.4519(4) 0.5816(4) 0.5389(3) 0.089(3) Uani 1 1 d . . . . .
S14 S 0.4485(3) 0.6522(4) 0.6196(3) 0.086(3) Uani 1 1 d . . . . .
S15 S 0.3464(3) 0.5898(5) 0.5884(3) 0.093(4) Uani 1 1 d . . . . .
S16 S 0.3522(4) 0.6872(5) 0.6708(3) 0.091(3) Uani 1 1 d . . . . .
S17 S 0.3303(5) 0.5330(6) 0.5040(4) 0.116(4) Uani 1 1 d . . . . .
S18 S 0.0785(3) 0.7209(5) 0.5080(3) 0.091(3) Uani 1 1 d . . . . .
S19 S 0.1182(4) 0.6668(5) 0.4040(3) 0.093(3) Uani 1 1 d . . . . .
S20 S 0.0999(3) 0.8082(5) 0.4242(3) 0.089(3) Uani 1 1 d . . . . .
S21 S 0.1883(3) 0.6786(5) 0.5810(2) 0.082(3) Uani 1 1 d . . . . .
S22 S 0.2046(3) 0.6678(5) 0.4818(3) 0.087(3) Uani 1 1 d . . . . .
S23 S 0.1858(3) 0.7917(5) 0.5123(3) 0.091(3) Uani 1 1 d . . . . .
S24 S 0.2617(3) 0.6521(4) 0.3852(2) 0.078(3) Uani 1 1 d . . . . .
S25 S 0.2205(3) 0.7709(5) 0.4200(3) 0.095(3) Uani 1 1 d . U . . .
S26 S 0.2102(4) 0.9025(5) 0.4646(4) 0.114(4) Uani 1 1 d D U . . .
S27 S 0.4830(4) 0.9804(6) 0.6552(3) 0.125(5) Uani 1 1 d D U . . .
S28 S 0.3983(5) 1.0568(6) 0.5835(4) 0.123(4) Uani 1 1 d . U . . .
S29 S 0.3467(6) 0.9861(6) 0.6699(4) 0.129(5) Uani 1 1 d . U . . .
S30 S 0.2582(3) 0.8689(4) 0.6314(2) 0.077(3) Uani 1 1 d . . . . .
S31 S 0.3912(3) 0.8671(3) 0.63331(19) 0.061(2) Uani 1 1 d . . . . .
S32 S 0.3296(3) 0.9426(4) 0.5653(3) 0.081(3) Uani 1 1 d . . . . .
S33 S 0.3911(3) 0.9867(4) 0.4820(3) 0.083(3) Uani 1 1 d . . . . .
S34 S 0.4523(3) 0.9250(4) 0.5610(2) 0.072(2) Uani 1 1 d . . . . .
S35 S 0.5136(3) 0.8372(5) 0.6229(3) 0.095(3) Uani 1 1 d . . . . .
C0AA C 0.1585(10) 0.8333(17) 0.5407(7) 0.100(5) Uani 1 1 d D U . . .
H0AA H 0.175294 0.863021 0.537814 0.119 Uiso 1 1 calc R . . . .
C0BA C 0.1850(9) 0.7989(17) 0.3588(7) 0.105(5) Uani 1 1 d D U . . .
H0BA H 0.166420 0.820496 0.372044 0.126 Uiso 1 1 calc R . . . .
H0BB H 0.173968 0.766760 0.362679 0.126 Uiso 1 1 calc R . . . .
C0CA C 0.6236(10) 0.851(2) 0.3578(10) 0.119(6) Uani 1 1 d D U . . .
H0CA H 0.611390 0.874078 0.374613 0.143 Uiso 1 1 calc R . . . .
C0DA C 0.2615(10) 0.7744(16) 0.3537(8) 0.105(5) Uani 1 1 d D U . . .
H0DA H 0.290880 0.782559 0.361896 0.126 Uiso 1 1 calc R . . . .
H0DB H 0.256777 0.740447 0.357241 0.126 Uiso 1 1 calc R . . . .
C0EA C 0.4641(16) 1.0313(16) 0.7441(10) 0.139(7) Uani 1 1 d D U . . .
H0EA H 0.433690 1.024654 0.750751 0.167 Uiso 1 1 calc R . . . .
H0EB H 0.470477 1.063833 0.751222 0.167 Uiso 1 1 calc R . . . .
C0FA C 0.6806(10) 0.7813(12) 0.4865(13) 0.105(7) Uani 1 1 d D U . . .
H0FA H 0.686535 0.776219 0.511107 0.126 Uiso 1 1 calc R . . . .
H0FB H 0.689276 0.752443 0.474362 0.126 Uiso 1 1 calc R . . . .
C0GA C 0.3170(14) 1.0318(14) 0.6606(16) 0.126(5) Uani 1 1 d D U . . .
H0GA H 0.316164 1.029225 0.635136 0.151 Uiso 1 1 calc R . . . .
C1AA C 0.2795(13) 1.0204(16) 0.5574(15) 0.123(8) Uani 1 1 d D U . . .
H1AA H 0.306353 1.034097 0.547881 0.148 Uiso 1 1 calc R . . . .
H1AB H 0.281520 1.023018 0.582589 0.148 Uiso 1 1 calc R . . . .
C1BA C 0.1576(17) 0.5857(16) 0.4699(13) 0.151(7) Uani 1 1 d D U . . .
H1BA H 0.160932 0.593242 0.445418 0.182 Uiso 1 1 calc R . . . .
H1BB H 0.132194 0.603370 0.478439 0.182 Uiso 1 1 calc R . . . .
C1CA C 0.5064(17) 0.819(2) 0.2404(11) 0.141(8) Uani 1 1 d D U . . .
H1CA H 0.507679 0.783980 0.239054 0.170 Uiso 1 1 calc R . . . .
H1CB H 0.535162 0.829158 0.248581 0.170 Uiso 1 1 calc R . . . .
C1DA C 0.0177(11) 0.8104(12) 0.4339(11) 0.098(6) Uani 1 1 d D U . . .
H1DA H 0.019460 0.778188 0.443049 0.118 Uiso 1 1 calc R . . . .
H1DB H 0.020286 0.808978 0.408734 0.118 Uiso 1 1 calc R . . . .
C1EA C 0.2366(15) 0.9038(13) 0.6937(8) 0.095(5) Uani 1 1 d D U . . .
H1EA H 0.209676 0.918423 0.684905 0.114 Uiso 1 1 calc R . . . .
H1EB H 0.261099 0.924807 0.688121 0.114 Uiso 1 1 calc R . . . .
C1FA C 0.6448(10) 0.8707(12) 0.4734(12) 0.105(7) Uani 1 1 d D U . . .
H1FA H 0.638577 0.873210 0.448702 0.126 Uiso 1 1 calc R . . . .
H1FB H 0.635965 0.900666 0.484029 0.126 Uiso 1 1 calc R . . . .
C1GA C 0.2111(12) 0.9524(13) 0.4357(8) 0.137(6) Uani 1 1 d D U . . .
H1GA H 0.239116 0.969889 0.436781 0.164 Uiso 1 1 calc R . . . .
C2 C 0.2383(14) 0.9513(15) 0.5586(14) 0.122(8) Uani 1 1 d D U . . .
H2A H 0.236320 0.919509 0.548675 0.147 Uiso 1 1 calc R . . . .
H2B H 0.238208 0.947626 0.583776 0.147 Uiso 1 1 calc R . . . .
C2AA C 0.3828(15) 0.8359(18) 0.6687(12) 0.110(7) Uani 1 1 d D U . . .
H2AA H 0.358278 0.813552 0.664932 0.132 Uiso 1 1 calc R . . . .
C2BA C 0.0861(9) 0.7217(15) 0.6387(8) 0.093(5) Uani 1 1 d D U . . .
H2BA H 0.085093 0.756267 0.637832 0.111 Uiso 1 1 calc R . . . .
H2BB H 0.055952 0.710284 0.635970 0.111 Uiso 1 1 calc R . . . .
C2CA C 0.2031(16) 0.5263(16) 0.5180(12) 0.152(8) Uani 1 1 d D U . . .
H2CA H 0.202836 0.517664 0.542489 0.182 Uiso 1 1 calc R . . . .
H2CB H 0.226592 0.508176 0.506997 0.182 Uiso 1 1 calc R . . . .
C2DA C -0.0227(12) 0.8315(12) 0.4434(11) 0.100(6) Uani 1 1 d D U . . .
H2DA H -0.030082 0.820606 0.466669 0.120 Uiso 1 1 calc R . . . .
H2DB H -0.045340 0.819346 0.427805 0.120 Uiso 1 1 calc R . . . .
C2EA C 0.2105(14) 0.8246(14) 0.6852(8) 0.091(5) Uani 1 1 d D U . . .
H2EA H 0.219152 0.793770 0.675862 0.109 Uiso 1 1 calc R . . . .
H2EB H 0.183062 0.833699 0.673809 0.109 Uiso 1 1 calc R . . . .
C2FA C 0.359(2) 0.6714(19) 0.2753(11) 0.150(7) Uani 1 1 d D U . . .
H2FA H 0.333061 0.667255 0.260426 0.180 Uiso 1 1 calc R . . . .
H2FB H 0.381415 0.649542 0.267326 0.180 Uiso 1 1 calc R . . . .
C2GA C 0.2046(15) 0.9296(15) 0.4026(7) 0.142(7) Uani 1 1 d D U . . .
H2GA H 0.233417 0.923801 0.392162 0.170 Uiso 1 1 calc R . . . .
H2GB H 0.190845 0.898728 0.406481 0.170 Uiso 1 1 calc R . . . .
C3AA C 0.4219(14) 0.8100(19) 0.6777(12) 0.108(7) Uani 1 1 d D U . . .
H3AA H 0.428305 0.787483 0.659161 0.130 Uiso 1 1 calc R . . . .
H3AB H 0.446470 0.832241 0.678964 0.130 Uiso 1 1 calc R . . . .
C3BA C 0.2931(19) 0.5674(16) 0.5974(16) 0.159(8) Uani 1 1 d D U . . .
H3BA H 0.275061 0.571671 0.576446 0.190 Uiso 1 1 calc R . . . .
C3CA C 0.1620(17) 0.5114(14) 0.5031(14) 0.152(8) Uani 1 1 d D U . . .
H3CA H 0.164316 0.477752 0.497467 0.182 Uiso 1 1 calc R . . . .
H3CB H 0.139174 0.514663 0.520732 0.182 Uiso 1 1 calc R . . . .
C3DA C 0.3669(15) 0.8429(18) 0.7327(12) 0.109(7) Uani 1 1 d D U . . .
H3DA H 0.338954 0.825897 0.732932 0.131 Uiso 1 1 calc R . . . .
H3DB H 0.365933 0.867406 0.750623 0.131 Uiso 1 1 calc R . . . .
C3EA C 0.1991(13) 0.8636(12) 0.7410(8) 0.090(5) Uani 1 1 d D U . . .
H3EA H 0.200795 0.857001 0.765737 0.108 Uiso 1 1 calc R . . . .
H3EB H 0.170380 0.877775 0.736442 0.108 Uiso 1 1 calc R . . . .
C3FA C -0.0306(11) 0.6909(16) 0.5095(8) 0.103(6) Uani 1 1 d D U . . .
H3FA H -0.055861 0.677298 0.497353 0.124 Uiso 1 1 calc R . . . .
H3FB H -0.033613 0.725316 0.508197 0.124 Uiso 1 1 calc R . . . .
C3GA C 0.1745(15) 0.9801(13) 0.4490(10) 0.141(7) Uani 1 1 d D U . . .
H3GA H 0.155032 0.958508 0.461555 0.169 Uiso 1 1 calc R . . . .
H3GB H 0.186237 1.002529 0.465879 0.169 Uiso 1 1 calc R . . . .
C4AA C 0.4032(15) 0.8101(17) 0.7396(12) 0.109(7) Uani 1 1 d D U . . .
H4AA H 0.427488 0.827892 0.749772 0.131 Uiso 1 1 calc R . . . .
H4AB H 0.393387 0.786958 0.756819 0.131 Uiso 1 1 calc R . . . .
C4BA C 0.2282(19) 0.5155(16) 0.6351(18) 0.158(8) Uani 1 1 d D U . . .
H4BA H 0.235103 0.504478 0.658449 0.189 Uiso 1 1 calc R . . . .
H4BB H 0.198345 0.505043 0.629841 0.189 Uiso 1 1 calc R . . . .
C4CA C 0.0520(13) 0.8385(14) 0.4478(12) 0.098(5) Uani 1 1 d D U . . .
H4CA H 0.054407 0.832626 0.472928 0.118 Uiso 1 1 calc R . . . .
C4DA C 0.4904(15) 0.9460(13) 0.7138(8) 0.139(7) Uani 1 1 d D U . . .
H4DA H 0.521413 0.948386 0.707507 0.167 Uiso 1 1 calc R . . . .
H4DB H 0.480387 0.914507 0.706773 0.167 Uiso 1 1 calc R . . . .
C4EA C 0.370(2) 0.4526(19) 0.4826(13) 0.156(6) Uani 1 1 d D U . . .
H4EA H 0.398849 0.463088 0.490732 0.187 Uiso 1 1 calc R . . . .
H4EB H 0.353063 0.443371 0.502957 0.187 Uiso 1 1 calc R . . . .
C4FA C 0.0079(11) 0.6781(17) 0.4906(8) 0.103(6) Uani 1 1 d D U . . .
H4FA H -0.000640 0.653858 0.473834 0.124 Uiso 1 1 calc R . . . .
H4FB H 0.016949 0.705941 0.477319 0.124 Uiso 1 1 calc R . . . .
C4GA C 0.1517(18) 0.9943(19) 0.3894(11) 0.141(7) Uani 1 1 d D U . . .
H4GA H 0.162359 1.022504 0.377389 0.169 Uiso 1 1 calc R . . . .
H4GB H 0.121934 0.988323 0.380974 0.169 Uiso 1 1 calc R . . . .
C5 C 0.378(2) 0.7325(18) 0.3346(11) 0.150(7) Uani 1 1 d D U . . .
H5 H 0.350753 0.751026 0.338074 0.180 Uiso 1 1 calc R . . . .
C5AA C 0.3740(17) 0.8643(17) 0.6993(11) 0.109(7) Uani 1 1 d D U . . .
H5AA H 0.398654 0.886274 0.701851 0.131 Uiso 1 1 calc R . . . .
H5AB H 0.348083 0.883524 0.694261 0.131 Uiso 1 1 calc R . . . .
C5BA C 0.4666(17) 0.9803(13) 0.6937(9) 0.136(7) Uani 1 1 d D U . . .
H5BA H 0.435569 0.969975 0.693283 0.163 Uiso 1 1 calc R . . . .
C5CA C 0.2983(18) 0.5161(16) 0.6031(18) 0.159(7) Uani 1 1 d D U . . .
H5CA H 0.310531 0.501739 0.582212 0.191 Uiso 1 1 calc R . . . .
H5CB H 0.319306 0.511018 0.621885 0.191 Uiso 1 1 calc R . . . .
C5DA C 0.5948(13) 0.666(3) 0.578(2) 0.218(18) Uani 1 1 d D U . . .
H5DA H 0.582572 0.691524 0.592797 0.261 Uiso 1 1 calc R . . . .
C5FA C 0.4037(19) 0.4976(17) 0.3330(16) 0.157(8) Uani 1 1 d D U . . .
H5FA H 0.416790 0.475511 0.349529 0.188 Uiso 1 1 calc R . . . .
H5FB H 0.388854 0.479121 0.315153 0.188 Uiso 1 1 calc R . . . .
C5GA C 0.6146(16) 0.632(2) 0.6014(18) 0.218(18) Uani 1 1 d D U . . .
H5GA H 0.593124 0.624548 0.619408 0.262 Uiso 1 1 calc R . . . .
H5GB H 0.620015 0.602904 0.588423 0.262 Uiso 1 1 calc R . . . .
C6 C 0.5638(11) 0.6860(13) 0.4375(10) 0.092(4) Uani 1 1 d D U . . .
H6 H 0.577123 0.703413 0.457018 0.111 Uiso 1 1 calc R . . . .
C6AA C 0.4115(11) 0.546(3) 0.7173(12) 0.168(10) Uani 1 1 d D U . . .
H6AA H 0.410964 0.580468 0.719621 0.202 Uiso 1 1 calc R . . . .
C6BA C 0.4875(16) 0.9486(17) 0.7514(9) 0.138(7) Uani 1 1 d D U . . .
H6BA H 0.510462 0.928930 0.761642 0.166 Uiso 1 1 calc R . . . .
H6BB H 0.459027 0.936162 0.758887 0.166 Uiso 1 1 calc R . . . .
C6CA C 0.2332(13) 0.8987(12) 0.7323(8) 0.090(5) Uani 1 1 d D U . . .
H6CA H 0.261486 0.888581 0.741733 0.108 Uiso 1 1 calc R . . . .
H6CB H 0.225714 0.929328 0.742623 0.108 Uiso 1 1 calc R . . . .
C6DA C 0.6068(11) 0.4258(11) 0.6151(14) 0.155(8) Uani 1 1 d D U . . .
H6DA H 0.618350 0.397043 0.604314 0.186 Uiso 1 1 calc DR . . . .
H6DB H 0.626872 0.434246 0.633816 0.186 Uiso 1 1 calc R . . . .
C6FA C 0.353(2) 1.0245(17) 0.4746(11) 0.159(13) Uani 1 1 d D U . . .
H6FA H 0.327278 1.010776 0.486787 0.191 Uiso 1 1 calc R . . . .
C6GA C 0.6879(12) 0.9032(18) 0.3246(12) 0.124(6) Uani 1 1 d D U . . .
H6GA H 0.710524 0.902324 0.306702 0.149 Uiso 1 1 calc R . . . .
H6GB H 0.688224 0.935184 0.334358 0.149 Uiso 1 1 calc R . . . .
C7 C 0.2000(12) 0.9763(14) 0.5492(15) 0.123(8) Uani 1 1 d D U . . .
H7A H 0.176222 0.965327 0.564236 0.147 Uiso 1 1 calc R . . . .
H7B H 0.192386 0.966905 0.525650 0.147 Uiso 1 1 calc R . . . .
C7AA C 0.3515(13) 0.9260(14) 0.3485(13) 0.110(7) Uani 1 1 d D U . . .
H7AA H 0.364318 0.942003 0.368891 0.132 Uiso 1 1 calc R . . . .
C7BA C 0.3239(15) 0.3665(17) 0.6002(13) 0.157(9) Uani 1 1 d D U . . .
H7BA H 0.316600 0.343325 0.582316 0.189 Uiso 1 1 calc R . . . .
H7BB H 0.296329 0.381175 0.607589 0.189 Uiso 1 1 calc R . . . .
C7CA C 0.5284(9) 0.9267(13) 0.3842(9) 0.095(4) Uani 1 1 d D U . . .
H7CA H 0.519762 0.918498 0.360628 0.114 Uiso 1 1 calc R . . . .
H7CB H 0.553802 0.907243 0.390303 0.114 Uiso 1 1 calc R . . . .
C7DA C 0.6372(10) 0.6548(13) 0.4220(10) 0.094(5) Uani 1 1 d D U . . .
H7DA H 0.654676 0.648302 0.401340 0.113 Uiso 1 1 calc R . . . .
H7DB H 0.655606 0.672830 0.437981 0.113 Uiso 1 1 calc R . . . .
C7EA C 0.3053(13) 0.9958(14) 0.3351(13) 0.110(7) Uani 1 1 d D U . . .
H7EA H 0.312476 1.015246 0.355222 0.131 Uiso 1 1 calc R . . . .
H7EB H 0.275035 1.002929 0.328384 0.131 Uiso 1 1 calc R . . . .
C7FA C 0.3546(19) 1.0706(18) 0.4878(10) 0.160(13) Uani 1 1 d D U . . .
H7FA H 0.384995 1.081517 0.485631 0.191 Uiso 1 1 calc R . . . .
H7FB H 0.348174 1.068720 0.512559 0.191 Uiso 1 1 calc R . . . .
C8 C 0.5036(14) 0.9534(16) 0.5051(10) 0.082(5) Uani 1 1 d . U . . .
H8A H 0.498258 0.922557 0.494425 0.099 Uiso 1 1 calc R . . . .
H8B H 0.479240 0.974388 0.498983 0.099 Uiso 1 1 calc R . . . .
C8AA C 0.2432(14) 0.8581(13) 0.6762(8) 0.091(5) Uani 1 1 d D U . . .
H8AA H 0.270328 0.845410 0.686718 0.109 Uiso 1 1 calc R . . . .
C8BA C 0.6580(10) 0.8653(19) 0.6094(13) 0.119(8) Uani 1 1 d D U . . .
H8BA H 0.678178 0.846084 0.623168 0.143 Uiso 1 1 calc R . . . .
H8BB H 0.675790 0.887493 0.595930 0.143 Uiso 1 1 calc R . . . .
C8CA C 0.3083(13) 0.9462(14) 0.3446(14) 0.110(7) Uani 1 1 d D U . . .
H8CA H 0.292610 0.941909 0.366447 0.132 Uiso 1 1 calc R . . . .
H8CB H 0.292680 0.927737 0.327089 0.132 Uiso 1 1 calc R . . . .
C8DA C 0.482(2) 0.547(3) 0.5060(16) 0.157(7) Uani 1 1 d D U . . .
H8DA H 0.502234 0.571090 0.497562 0.189 Uiso 1 1 calc R . . . .
C8EA C 0.3789(15) 0.9392(13) 0.3203(13) 0.110(7) Uani 1 1 d D U . . .
H8EA H 0.369293 0.921603 0.299844 0.132 Uiso 1 1 calc R . . . .
H8EB H 0.408917 0.929210 0.325482 0.132 Uiso 1 1 calc R . . . .
C8FA C 0.4575(9) 0.534(3) 0.7199(11) 0.168(9) Uani 1 1 d D U . . .
H8FA H 0.462061 0.504563 0.707240 0.202 Uiso 1 1 calc R . . . .
H8FB H 0.473701 0.558761 0.707527 0.202 Uiso 1 1 calc R . . . .
C9 C 0.1957(18) 0.6027(13) 0.4877(15) 0.151(8) Uani 1 1 d D U . . .
C9AA C 0.5821(16) 0.6805(15) 0.3192(12) 0.101(5) Uani 1 1 d D U . . .
H9AA H 0.598111 0.695164 0.338699 0.121 Uiso 1 1 calc R . . . .
C9BA C 0.6037(14) 0.6869(16) 0.2860(11) 0.101(6) Uani 1 1 d D U . . .
H9BA H 0.613976 0.719535 0.283475 0.122 Uiso 1 1 calc R . . . .
H9BB H 0.583500 0.679722 0.267109 0.122 Uiso 1 1 calc R . . . .
C9CA C 0.4310(15) 0.583(2) 0.3652(15) 0.155(8) Uani 1 1 d D U . . .
C9DA C 0.0959(13) 0.701(2) 0.3660(9) 0.126(9) Uani 1 1 d D U . . .
H9DA H 0.106284 0.734032 0.370008 0.151 Uiso 1 1 calc R . . . .
C9EA C 0.3796(11) 0.9906(14) 0.3115(14) 0.110(7) Uani 1 1 d D U . . .
H9EA H 0.393750 1.008198 0.330166 0.133 Uiso 1 1 calc R . . . .
H9EB H 0.396714 0.995369 0.290395 0.133 Uiso 1 1 calc R . . . .
C9FA C 0.7016(10) 0.8714(18) 0.3516(11) 0.125(6) Uani 1 1 d D U . . .
H9FA H 0.725125 0.851362 0.342496 0.150 Uiso 1 1 calc R . . . .
H9FB H 0.714187 0.890280 0.370380 0.150 Uiso 1 1 calc R . . . .
C11 C 0.2570(10) 0.7859(17) 0.3184(9) 0.106(5) Uani 1 1 d D U . . .
H11A H 0.274457 0.814571 0.314818 0.127 Uiso 1 1 calc R . . . .
H11B H 0.271869 0.760674 0.305625 0.127 Uiso 1 1 calc R . . . .
C13 C 0.1614(11) 0.8235(15) 0.5771(8) 0.098(5) Uani 1 1 d D U . . .
H13A H 0.192312 0.825842 0.583809 0.118 Uiso 1 1 calc R . . . .
H13B H 0.152501 0.790585 0.580683 0.118 Uiso 1 1 calc R . . . .
C16 C 0.5059(13) 0.9478(16) 0.5453(10) 0.080(5) Uani 1 1 d . U . . .
H16 H 0.522479 0.917713 0.546060 0.096 Uiso 1 1 calc R . . . .
C18 C 0.1364(11) 0.8524(16) 0.6007(7) 0.100(5) Uani 1 1 d D U . . .
H18A H 0.152488 0.881864 0.604806 0.120 Uiso 1 1 calc R . . . .
H18B H 0.134149 0.835790 0.622839 0.120 Uiso 1 1 calc R . . . .
C19 C 0.5338(14) 0.9753(15) 0.5686(10) 0.081(5) Uani 1 1 d . U . . .
H19 H 0.525079 0.986481 0.590347 0.097 Uiso 1 1 calc R . . . .
C20 C 0.2794(12) 0.9707(14) 0.5490(15) 0.122(8) Uani 1 1 d D U . . .
H20 H 0.280913 0.968737 0.523504 0.146 Uiso 1 1 calc R . . . .
C21 C 0.2285(10) 0.8016(18) 0.3720(9) 0.105(5) Uani 1 1 d D U . . .
H21 H 0.237777 0.834985 0.374373 0.126 Uiso 1 1 calc R . . . .
C22 C 0.512(2) 0.517(2) 0.5237(16) 0.157(7) Uani 1 1 d D U . . .
H22A H 0.495688 0.499859 0.541674 0.188 Uiso 1 1 calc R . . . .
H22B H 0.533221 0.537102 0.535421 0.188 Uiso 1 1 calc R . . . .
C24 C 0.4767(12) 0.685(2) 0.6582(12) 0.166(10) Uani 1 1 d D U . . .
H24 H 0.455895 0.710183 0.665630 0.200 Uiso 1 1 calc R . . . .
C25 C 0.4548(8) 0.9457(12) 0.4001(9) 0.090(4) Uani 1 1 d D U . . .
H25A H 0.442974 0.937476 0.377355 0.107 Uiso 1 1 calc R . . . .
H25B H 0.431874 0.939193 0.417211 0.107 Uiso 1 1 calc R . . . .
C27 C 0.5336(12) 0.4515(9) 0.6342(14) 0.155(8) Uani 1 1 d D U . . .
H27A H 0.526390 0.454518 0.658706 0.186 Uiso 1 1 calc DR . . . .
H27B H 0.506709 0.442150 0.622109 0.186 Uiso 1 1 calc R . . . .
C28 C 0.5413(10) 0.9760(14) 0.3850(10) 0.093(5) Uani 1 1 d D U . . .
H28A H 0.562499 0.981695 0.366408 0.112 Uiso 1 1 calc R . . . .
H28B H 0.556162 0.982463 0.406919 0.112 Uiso 1 1 calc R . . . .
C30 C 0.5460(14) 0.9738(15) 0.4914(10) 0.080(5) Uani 1 1 d . U . . .
H30A H 0.562865 0.947924 0.481076 0.096 Uiso 1 1 calc R . . . .
H30B H 0.538784 0.995991 0.472897 0.096 Uiso 1 1 calc R . . . .
C32 C 0.2002(12) 1.0270(14) 0.5504(15) 0.123(8) Uani 1 1 d D U . . .
H32A H 0.187812 1.036940 0.572561 0.148 Uiso 1 1 calc R . . . .
H32B H 0.180691 1.038702 0.532225 0.148 Uiso 1 1 calc R . . . .
C33 C 0.6353(12) 0.8345(17) 0.5856(11) 0.121(8) Uani 1 1 d D U . . .
H33A H 0.635797 0.849626 0.562904 0.145 Uiso 1 1 calc R . . . .
H33B H 0.652474 0.805299 0.583721 0.145 Uiso 1 1 calc R . . . .
C35 C 0.460(2) 0.534(3) 0.4736(16) 0.157(6) Uani 1 1 d D U . . .
H35A H 0.431587 0.520204 0.478733 0.188 Uiso 1 1 calc R . . . .
H35B H 0.454878 0.563499 0.460486 0.188 Uiso 1 1 calc R . . . .
C37 C 0.1145(11) 0.8453(16) 0.5293(7) 0.099(5) Uani 1 1 d D U . . .
H37A H 0.116231 0.860272 0.506562 0.118 Uiso 1 1 calc R . . . .
H37B H 0.097416 0.816162 0.526869 0.118 Uiso 1 1 calc R . . . .
C38 C 0.6167(10) 0.8337(13) 0.4875(14) 0.106(7) Uani 1 1 d D U . . .
H38 H 0.616211 0.838709 0.512746 0.127 Uiso 1 1 calc R . . . .
C39 C 0.251(2) 0.5915(15) 0.3776(13) 0.151(7) Uani 1 1 d D U . . .
H39 H 0.281990 0.581572 0.377083 0.181 Uiso 1 1 calc R . . . .
C40 C 0.0543(12) 0.8879(13) 0.4412(11) 0.099(6) Uani 1 1 d D U . . .
H40A H 0.078077 0.902021 0.454788 0.119 Uiso 1 1 calc R . . . .
H40B H 0.060335 0.893503 0.416745 0.119 Uiso 1 1 calc R . . . .
C41 C 0.4648(10) 0.9961(12) 0.4007(9) 0.093(5) Uani 1 1 d D U . . .
H41A H 0.439482 1.013432 0.391633 0.111 Uiso 1 1 calc R . . . .
H41B H 0.468931 1.005886 0.424727 0.111 Uiso 1 1 calc R . . . .
C42 C 0.6684(10) 0.8410(17) 0.3661(10) 0.125(6) Uani 1 1 d D U . . .
H42A H 0.674662 0.808608 0.358744 0.150 Uiso 1 1 calc R . . . .
H42B H 0.671435 0.841902 0.391295 0.150 Uiso 1 1 calc R . . . .
C43 C 0.5776(14) 0.6315(13) 0.3223(13) 0.103(6) Uani 1 1 d D U . . .
H43A H 0.558512 0.621279 0.303338 0.124 Uiso 1 1 calc R . . . .
H43B H 0.561364 0.625689 0.343685 0.124 Uiso 1 1 calc R . . . .
C44 C 0.2017(15) 0.8189(12) 0.7224(8) 0.093(5) Uani 1 1 d D U . . .
H44A H 0.173923 0.801892 0.725374 0.111 Uiso 1 1 calc R . . . .
H44B H 0.224934 0.799574 0.732663 0.111 Uiso 1 1 calc R . . . .
C45 C 0.368(2) 0.6823(17) 0.3377(10) 0.151(7) Uani 1 1 d D U . . .
H45A H 0.395848 0.665835 0.342017 0.181 Uiso 1 1 calc R . . . .
H45B H 0.349965 0.678183 0.358351 0.181 Uiso 1 1 calc R . . . .
C47 C 0.1481(15) 1.0062(16) 0.4250(11) 0.141(7) Uani 1 1 d D U . . .
H47A H 0.117351 1.002524 0.431742 0.169 Uiso 1 1 calc R . . . .
H47B H 0.155445 1.039777 0.427463 0.169 Uiso 1 1 calc R . . . .
C50 C 0.5740(14) 0.9978(15) 0.5156(10) 0.080(5) Uani 1 1 d . U . . .
H50A H 0.566396 1.031402 0.514743 0.096 Uiso 1 1 calc R . . . .
H50B H 0.604082 0.994854 0.507071 0.096 Uiso 1 1 calc R . . . .
C51 C 0.0410(11) 0.6449(16) 0.5431(9) 0.103(5) Uani 1 1 d D U . . .
H51A H 0.043082 0.610309 0.542718 0.124 Uiso 1 1 calc R . . . .
H51B H 0.066447 0.656417 0.556069 0.124 Uiso 1 1 calc R . . . .
C52 C 0.5154(14) 0.709(2) 0.6462(10) 0.167(10) Uani 1 1 d D U . . .
H52A H 0.529737 0.689147 0.629098 0.200 Uiso 1 1 calc R . . . .
H52B H 0.506040 0.738204 0.634226 0.200 Uiso 1 1 calc R . . . .
C53 C 0.0027(11) 0.6569(17) 0.5626(8) 0.104(6) Uani 1 1 d D U . . .
H53A H 0.011703 0.678737 0.580893 0.125 Uiso 1 1 calc R . . . .
H53B H -0.007629 0.627966 0.573971 0.125 Uiso 1 1 calc R . . . .
C54 C 0.5476(13) 0.723(2) 0.6715(13) 0.165(10) Uani 1 1 d D U . . .
H54A H 0.541908 0.755449 0.678027 0.198 Uiso 1 1 calc R . . . .
H54B H 0.576314 0.721930 0.660143 0.198 Uiso 1 1 calc R . . . .
C55 C 0.1477(15) 0.5361(16) 0.4727(12) 0.152(8) Uani 1 1 d D U . . .
H55A H 0.115846 0.532410 0.471011 0.182 Uiso 1 1 calc R . . . .
H55B H 0.160563 0.520122 0.452678 0.182 Uiso 1 1 calc R . . . .
C56 C 0.4926(9) 0.9153(13) 0.4073(9) 0.092(4) Uani 1 1 d D U . . .
H56 H 0.502633 0.923069 0.430946 0.110 Uiso 1 1 calc R . . . .
C57 C 0.0919(11) 0.8767(14) 0.5527(7) 0.100(5) Uani 1 1 d D U . . .
H57A H 0.061266 0.878903 0.545244 0.119 Uiso 1 1 calc R . . . .
H57B H 0.104798 0.908253 0.550317 0.119 Uiso 1 1 calc R . . . .
C58 C 0.1590(9) 0.7110(16) 0.6146(8) 0.094(5) Uani 1 1 d D U . . .
H58 H 0.167399 0.744799 0.614711 0.113 Uiso 1 1 calc R . . . .
C59 C 0.4195(17) 0.7846(17) 0.7097(11) 0.109(7) Uani 1 1 d D U . . .
H59A H 0.448915 0.772884 0.715149 0.130 Uiso 1 1 calc R . . . .
H59B H 0.400708 0.756892 0.706120 0.130 Uiso 1 1 calc R . . . .
C60 C 0.5531(9) 0.6406(12) 0.4525(10) 0.092(4) Uani 1 1 d D U . . .
H60A H 0.535200 0.623074 0.435842 0.110 Uiso 1 1 calc R . . . .
H60B H 0.534944 0.646076 0.472943 0.110 Uiso 1 1 calc R . . . .
C61 C 0.5861(11) 0.8792(17) 0.6391(11) 0.119(8) Uani 1 1 d D U . . .
H61A H 0.585162 0.859267 0.659768 0.143 Uiso 1 1 calc R . . . .
H61B H 0.569498 0.908061 0.644211 0.143 Uiso 1 1 calc R . . . .
C62 C 0.3960(19) 0.7428(17) 0.2998(12) 0.148(7) Uani 1 1 d D U . . .
H62A H 0.394256 0.777019 0.295872 0.177 Uiso 1 1 calc R . . . .
H62B H 0.427082 0.734146 0.299652 0.177 Uiso 1 1 calc R . . . .
C63 C 0.5913(12) 0.8214(15) 0.5927(12) 0.121(8) Uani 1 1 d D U . . .
H63A H 0.591846 0.791781 0.605741 0.145 Uiso 1 1 calc R . . . .
H63B H 0.576871 0.814871 0.570628 0.145 Uiso 1 1 calc R . . . .
C65 C 0.327(2) 1.1066(16) 0.4732(10) 0.158(13) Uani 1 1 d D U . . .
H65A H 0.339887 1.137444 0.478160 0.190 Uiso 1 1 calc R . . . .
H65B H 0.298471 1.105512 0.485353 0.190 Uiso 1 1 calc R . . . .
C66 C 0.3234(18) 0.4413(15) 0.4190(11) 0.156(6) Uani 1 1 d D U . . .
H66A H 0.294392 0.428184 0.413994 0.187 Uiso 1 1 calc R . . . .
H66B H 0.336035 0.451223 0.396848 0.187 Uiso 1 1 calc DR . . . .
C68 C 0.4756(17) 0.830(2) 0.2664(10) 0.141(7) Uani 1 1 d D U . . .
C69 C 0.1489(9) 0.7043(15) 0.6770(8) 0.095(5) Uani 1 1 d D U . . .
H69A H 0.160358 0.735415 0.683305 0.114 Uiso 1 1 calc R . . . .
H69B H 0.155135 0.682660 0.696098 0.114 Uiso 1 1 calc R . . . .
C72 C 0.4825(14) 0.6543(19) 0.6873(13) 0.167(9) Uani 1 1 d D U . . .
H72A H 0.491443 0.623292 0.678474 0.200 Uiso 1 1 calc R . . . .
H72B H 0.453921 0.650212 0.698418 0.200 Uiso 1 1 calc R . . . .
C76 C 0.1722(10) 0.6878(14) 0.6467(8) 0.094(5) Uani 1 1 d D U . . .
H76A H 0.167453 0.653685 0.644265 0.113 Uiso 1 1 calc R . . . .
H76B H 0.203653 0.692901 0.650163 0.113 Uiso 1 1 calc R . . . .
C77 C 0.5136(14) 0.668(2) 0.7135(10) 0.166(10) Uani 1 1 d D U . . .
H77A H 0.524280 0.639468 0.724781 0.199 Uiso 1 1 calc R . . . .
H77B H 0.497747 0.686564 0.730936 0.199 Uiso 1 1 calc R . . . .
C78 C 0.1784(16) 0.9555(18) 0.3784(9) 0.141(7) Uani 1 1 d D U . . .
H78A H 0.198189 0.967543 0.360524 0.169 Uiso 1 1 calc R . . . .
H78B H 0.158877 0.932667 0.367063 0.169 Uiso 1 1 calc R . . . .
C81 C 0.5513(13) 0.696(2) 0.7029(12) 0.168(10) Uani 1 1 d D U . . .
H81A H 0.558606 0.717413 0.721590 0.201 Uiso 1 1 calc R . . . .
H81B H 0.576086 0.673790 0.700294 0.201 Uiso 1 1 calc R . . . .
C82 C 0.3905(13) 0.5625(19) 0.3748(13) 0.156(8) Uani 1 1 d D U . . .
H82A H 0.369299 0.588178 0.377888 0.187 Uiso 1 1 calc R . . . .
H82B H 0.394350 0.547302 0.397324 0.187 Uiso 1 1 calc R . . . .
C83 C 0.5469(12) 0.4977(9) 0.6214(10) 0.154(8) Uani 1 1 d D U . . .
H83 H 0.569180 0.502583 0.639611 0.184 Uiso 1 1 calc DR . . . .
C84 C 0.3170(19) 0.4840(17) 0.4398(16) 0.155(6) Uani 1 1 d D U . . .
H84A H 0.317165 0.511333 0.424227 0.186 Uiso 1 1 calc R . . . .
H84B H 0.287736 0.482365 0.450201 0.186 Uiso 1 1 calc R . . . .
C85 C 0.6142(13) 0.6001(16) 0.3225(11) 0.102(6) Uani 1 1 d D U . . .
H85A H 0.634576 0.608710 0.340991 0.123 Uiso 1 1 calc R . . . .
H85B H 0.604401 0.567537 0.326183 0.123 Uiso 1 1 calc R . . . .
C87 C 0.4237(13) 0.841(2) 0.2180(11) 0.140(8) Uani 1 1 d D U . . .
H87A H 0.401938 0.863779 0.209751 0.168 Uiso 1 1 calc R . . . .
H87B H 0.408905 0.810386 0.220524 0.168 Uiso 1 1 calc R . . . .
C88 C 0.288(3) 0.6815(16) 0.7614(10) 0.159(8) Uani 1 1 d D U . . .
H88A H 0.259815 0.678112 0.772614 0.191 Uiso 1 1 calc R . . . .
H88B H 0.309600 0.690435 0.779298 0.191 Uiso 1 1 calc R . . . .
C90 C 0.5036(9) 1.0101(12) 0.3810(10) 0.095(5) Uani 1 1 d D U . . .
H90A H 0.513063 1.041533 0.388597 0.114 Uiso 1 1 calc R . . . .
H90B H 0.495829 1.012295 0.356514 0.114 Uiso 1 1 calc R . . . .
C93 C 0.5645(10) 0.8546(19) 0.6114(13) 0.120(8) Uani 1 1 d D U . . .
H93 H 0.558888 0.879806 0.594259 0.144 Uiso 1 1 calc R . . . .
C94 C 0.292(3) 0.6674(16) 0.6877(10) 0.159(8) Uani 1 1 d D U . . .
H94 H 0.274360 0.658984 0.667459 0.190 Uiso 1 1 calc R . . . .
C96 C 0.2429(13) 1.0498(12) 0.5463(15) 0.122(8) Uani 1 1 d D U . . .
H96A H 0.247048 1.058048 0.521906 0.146 Uiso 1 1 calc R . . . .
H96B H 0.243176 1.079283 0.559567 0.146 Uiso 1 1 calc R . . . .
C97 C 0.1012(10) 0.7079(18) 0.6729(8) 0.095(5) Uani 1 1 d D U . . .
H97A H 0.088195 0.677260 0.678716 0.114 Uiso 1 1 calc R . . . .
H97B H 0.090250 0.731023 0.689656 0.114 Uiso 1 1 calc R . . . .
C98 C 0.5741(14) 0.9826(15) 0.5545(10) 0.081(5) Uani 1 1 d . U . . .
H98 H 0.600152 0.978836 0.567201 0.098 Uiso 1 1 calc R . . . .
C101 C 0.6334(10) 0.7870(13) 0.4824(12) 0.105(7) Uani 1 1 d D U . . .
H10A H 0.625398 0.776643 0.459108 0.126 Uiso 1 1 calc R . . . .
H10B H 0.618672 0.765781 0.498728 0.126 Uiso 1 1 calc R . . . .
C102 C 0.269(2) 0.5896(13) 0.6268(17) 0.158(7) Uani 1 1 d D U . . .
H10C H 0.288241 0.589323 0.647092 0.190 Uiso 1 1 calc R . . . .
H10D H 0.263127 0.622638 0.620966 0.190 Uiso 1 1 calc R . . . .
C103 C 0.349(2) 0.4046(18) 0.4317(15) 0.155(7) Uani 1 1 d D U . . .
H10E H 0.368939 0.394663 0.412956 0.186 Uiso 1 1 calc R . . . .
H10F H 0.329857 0.377866 0.436487 0.186 Uiso 1 1 calc R . . . .
C107 C 0.1002(12) 0.7117(18) 0.3029(9) 0.126(9) Uani 1 1 d D U . . .
H10G H 0.108720 0.692596 0.282909 0.151 Uiso 1 1 calc R . . . .
H10H H 0.115389 0.742144 0.300954 0.151 Uiso 1 1 calc R . . . .
C108 C 0.341(2) 1.0194(16) 0.4386(11) 0.159(13) Uani 1 1 d D U . . .
H10I H 0.326215 0.988829 0.435840 0.190 Uiso 1 1 calc R . . . .
H10J H 0.367863 1.018409 0.425026 0.190 Uiso 1 1 calc R . . . .
C109 C 0.276(2) 0.7119(15) 0.7020(11) 0.159(8) Uani 1 1 d D U . . .
H10K H 0.287659 0.738252 0.688635 0.191 Uiso 1 1 calc R . . . .
H10L H 0.243678 0.712474 0.699269 0.191 Uiso 1 1 calc R . . . .
C111 C 0.4560(16) 1.0900(14) 0.5764(10) 0.125(5) Uani 1 1 d D U . . .
H111 H 0.480066 1.067129 0.572605 0.150 Uiso 1 1 calc R . . . .
C113 C 0.3417(19) 0.3412(15) 0.6293(14) 0.157(9) Uani 1 1 d D U . . .
H11C H 0.317151 0.329360 0.643114 0.188 Uiso 1 1 calc R . . . .
H11D H 0.357493 0.313538 0.620423 0.188 Uiso 1 1 calc R . . . .
C114 C -0.0341(11) 0.6776(19) 0.5452(9) 0.104(6) Uani 1 1 d D U . . .
H11E H -0.042414 0.705984 0.558079 0.125 Uiso 1 1 calc R . . . .
H11F H -0.058561 0.655329 0.547077 0.125 Uiso 1 1 calc R . . . .
C116 C 0.2720(14) 1.0226(13) 0.6685(14) 0.121(5) Uani 1 1 d D U . . .
H11G H 0.271371 0.997348 0.685842 0.145 Uiso 1 1 calc R . . . .
H11H H 0.258247 1.009975 0.647642 0.145 Uiso 1 1 calc R . . . .
C117 C 0.4475(17) 1.1173(17) 0.5458(9) 0.126(5) Uani 1 1 d D U . . .
H11I H 0.432541 1.096804 0.529176 0.151 Uiso 1 1 calc R . . . .
H11J H 0.475750 1.126128 0.535677 0.151 Uiso 1 1 calc R . . . .
C119 C 0.4584(15) 0.5608(19) 0.3398(12) 0.157(8) Uani 1 1 d D U . . .
H11K H 0.482870 0.545437 0.351771 0.189 Uiso 1 1 calc R . . . .
H11L H 0.470913 0.585709 0.325229 0.189 Uiso 1 1 calc R . . . .
C120 C 0.4505(13) 0.511(3) 0.7801(12) 0.169(10) Uani 1 1 d D U . . .
H12A H 0.463035 0.521199 0.802118 0.203 Uiso 1 1 calc R . . . .
H12B H 0.451986 0.476166 0.779662 0.203 Uiso 1 1 calc R . . . .
C125 C 0.4217(16) 1.1599(17) 0.5497(9) 0.124(5) Uani 1 1 d D U . . .
H12C H 0.433782 1.183654 0.533923 0.149 Uiso 1 1 calc R . . . .
H12D H 0.391899 1.152835 0.541752 0.149 Uiso 1 1 calc R . . . .
C126 C 0.0151(11) 0.9080(14) 0.4502(11) 0.099(6) Uani 1 1 d D U . . .
H12E H 0.013596 0.938816 0.438623 0.119 Uiso 1 1 calc R . . . .
H12F H 0.016125 0.914272 0.475016 0.119 Uiso 1 1 calc R . . . .
C127 C 0.4185(17) 1.1810(15) 0.5831(10) 0.126(5) Uani 1 1 d D U . . .
H12G H 0.434629 1.210887 0.582369 0.151 Uiso 1 1 calc R . . . .
H12H H 0.387557 1.188929 0.586910 0.151 Uiso 1 1 calc R . . . .
C128 C 0.301(2) 0.6355(15) 0.7475(12) 0.160(8) Uani 1 1 d D U . . .
H12I H 0.332962 0.631716 0.750560 0.191 Uiso 1 1 calc R . . . .
H12J H 0.286838 0.610793 0.761083 0.191 Uiso 1 1 calc R . . . .
C130 C 0.523(2) 0.482(3) 0.4690(16) 0.158(7) Uani 1 1 d D U . . .
H13C H 0.548093 0.495097 0.456494 0.189 Uiso 1 1 calc R . . . .
H13D H 0.522171 0.448248 0.462654 0.189 Uiso 1 1 calc R . . . .
C134 C -0.0255(12) 0.8837(12) 0.4432(13) 0.099(6) Uani 1 1 d D U . . .
H13E H -0.036323 0.893867 0.420543 0.119 Uiso 1 1 calc R . . . .
H13F H -0.047193 0.893493 0.460414 0.119 Uiso 1 1 calc R . . . .
C135 C 0.0924(9) 0.8641(16) 0.5889(7) 0.098(5) Uani 1 1 d D U . . .
H13G H 0.073058 0.836907 0.592649 0.118 Uiso 1 1 calc R . . . .
H13H H 0.081038 0.890589 0.602525 0.118 Uiso 1 1 calc R . . . .
C137 C 0.5897(11) 0.6107(13) 0.4625(9) 0.094(5) Uani 1 1 d D U . . .
H13I H 0.579038 0.578281 0.465376 0.113 Uiso 1 1 calc R . . . .
H13J H 0.600684 0.621430 0.484942 0.113 Uiso 1 1 calc R . . . .
C138 C 0.257(2) 0.4922(13) 0.6117(18) 0.158(8) Uani 1 1 d D U . . .
H13K H 0.241341 0.486475 0.590172 0.189 Uiso 1 1 calc R . . . .
H13L H 0.264604 0.461222 0.621503 0.189 Uiso 1 1 calc R . . . .
C139 C 0.291(2) 0.6279(13) 0.7120(13) 0.159(8) Uani 1 1 d D U . . .
H13M H 0.261636 0.614348 0.710965 0.190 Uiso 1 1 calc R . . . .
H13N H 0.311378 0.603728 0.703388 0.190 Uiso 1 1 calc R . . . .
C142 C 0.348(2) 0.4928(18) 0.4671(15) 0.155(6) Uani 1 1 d D U . . .
H142 H 0.372422 0.510472 0.455674 0.186 Uiso 1 1 calc R . . . .
C143 C 0.6257(17) 0.689(3) 0.5547(15) 0.218(18) Uani 1 1 d D U . . .
H14A H 0.632595 0.667263 0.535819 0.262 Uiso 1 1 calc R . . . .
H14B H 0.611577 0.716948 0.544569 0.262 Uiso 1 1 calc R . . . .
C146 C 0.5017(14) 0.835(2) 0.2059(11) 0.141(8) Uani 1 1 d D U . . .
H14C H 0.519943 0.815819 0.190806 0.169 Uiso 1 1 calc R . . . .
H14D H 0.513522 0.867697 0.204938 0.169 Uiso 1 1 calc R . . . .
C147 C 0.0535(13) 0.720(2) 0.3011(9) 0.126(9) Uani 1 1 d D U . . .
H14E H 0.039672 0.692626 0.290440 0.151 Uiso 1 1 calc R . . . .
H14F H 0.048563 0.747214 0.285681 0.151 Uiso 1 1 calc R . . . .
C152 C 0.6313(11) 0.8922(16) 0.6326(12) 0.121(8) Uani 1 1 d D U . . .
H15A H 0.631137 0.924852 0.624178 0.145 Uiso 1 1 calc R . . . .
H15B H 0.646291 0.892491 0.654952 0.145 Uiso 1 1 calc R . . . .
C154 C 0.5987(11) 0.6848(12) 0.4119(9) 0.094(4) Uani 1 1 d D U . . .
H15C H 0.608927 0.717195 0.407846 0.113 Uiso 1 1 calc R . . . .
H15D H 0.586683 0.672893 0.390121 0.113 Uiso 1 1 calc R . . . .
C157 C 0.1155(14) 0.6884(17) 0.3336(10) 0.126(9) Uani 1 1 d D U . . .
H15E H 0.147135 0.693846 0.335405 0.151 Uiso 1 1 calc R . . . .
H15F H 0.111265 0.654293 0.330420 0.151 Uiso 1 1 calc R . . . .
C158 C 0.4626(15) 1.1166(17) 0.6075(10) 0.125(5) Uani 1 1 d D U . . .
H15G H 0.492661 1.128647 0.607465 0.150 Uiso 1 1 calc R . . . .
H15H H 0.459774 1.094945 0.627102 0.150 Uiso 1 1 calc R . . . .
C163 C 0.6347(16) 0.6046(14) 0.2899(11) 0.102(6) Uani 1 1 d D U . . .
H16A H 0.616105 0.591755 0.271608 0.122 Uiso 1 1 calc R . . . .
H16B H 0.662945 0.588006 0.289679 0.122 Uiso 1 1 calc R . . . .
C164 C 0.1113(9) 0.7053(12) 0.6090(8) 0.097(5) Uani 1 1 d D U . . .
H16C H 0.102575 0.723332 0.588528 0.116 Uiso 1 1 calc R . . . .
H16D H 0.104742 0.671941 0.604737 0.116 Uiso 1 1 calc DR . . . .
C165 C 0.3350(12) 1.0085(15) 0.3063(12) 0.109(7) Uani 1 1 d D U . . .
H16E H 0.323182 0.995609 0.284784 0.131 Uiso 1 1 calc R . . . .
H16F H 0.335965 1.042978 0.304117 0.131 Uiso 1 1 calc R . . . .
C168 C 0.1800(10) 0.8101(17) 0.3220(8) 0.106(5) Uani 1 1 d D U . . .
H16G H 0.152996 0.795462 0.313395 0.128 Uiso 1 1 calc R . . . .
H16H H 0.177063 0.844380 0.319323 0.128 Uiso 1 1 calc R . . . .
C169 C 0.2170(10) 0.7937(19) 0.3010(7) 0.107(5) Uani 1 1 d D U . . .
H16I H 0.208338 0.764120 0.289743 0.128 Uiso 1 1 calc DR . . . .
H16J H 0.222099 0.817051 0.282759 0.128 Uiso 1 1 calc R . . . .
C171 C 0.6260(11) 0.6104(12) 0.4380(10) 0.094(5) Uani 1 1 d D U . . .
H17A H 0.652092 0.598558 0.450004 0.112 Uiso 1 1 calc R . . . .
H17B H 0.619019 0.587718 0.419707 0.112 Uiso 1 1 calc R . . . .
C173 C 0.4392(18) 0.856(2) 0.2517(10) 0.139(8) Uani 1 1 d D U . . .
H17C H 0.447830 0.889329 0.249943 0.167 Uiso 1 1 calc R . . . .
H17D H 0.414570 0.854313 0.267814 0.167 Uiso 1 1 calc R . . . .
C176 C 0.234(2) 0.5399(18) 0.3284(11) 0.152(7) Uani 1 1 d D U . . .
H17E H 0.213607 0.543201 0.309150 0.182 Uiso 1 1 calc R . . . .
H17F H 0.261446 0.527014 0.318876 0.182 Uiso 1 1 calc R . . . .
C177 C 0.3467(19) 0.6586(17) 0.3100(12) 0.150(7) Uani 1 1 d D U . . .
H17G H 0.315095 0.663823 0.312477 0.180 Uiso 1 1 calc R . . . .
H17H H 0.351886 0.624664 0.312672 0.180 Uiso 1 1 calc R . . . .
C178 C 0.0502(14) 0.7059(19) 0.3629(10) 0.126(9) Uani 1 1 d D U . . .
H17I H 0.039758 0.722230 0.383635 0.151 Uiso 1 1 calc R . . . .
H17J H 0.037786 0.673981 0.363476 0.151 Uiso 1 1 calc R . . . .
C179 C 0.0459(10) 0.6610(19) 0.5082(9) 0.105(6) Uani 1 1 d D U . . .
H179 H 0.061225 0.636953 0.494074 0.126 Uiso 1 1 calc R . . . .
C180 C 0.537(2) 0.482(3) 0.5047(15) 0.157(7) Uani 1 1 d D U . . .
H18C H 0.531746 0.450512 0.514711 0.188 Uiso 1 1 calc R . . . .
H18D H 0.567959 0.489049 0.506144 0.188 Uiso 1 1 calc R . . . .
C181 C 0.237(2) 0.5563(18) 0.4011(11) 0.152(6) Uani 1 1 d D U . . .
H18E H 0.210726 0.568017 0.412643 0.182 Uiso 1 1 calc R . . . .
H18F H 0.259930 0.553342 0.418767 0.182 Uiso 1 1 calc R . . . .
C185 C 0.7086(10) 0.8195(13) 0.4747(14) 0.105(7) Uani 1 1 d D U . . .
H18G H 0.736096 0.818181 0.487779 0.126 Uiso 1 1 calc R . . . .
H18H H 0.715907 0.813655 0.450420 0.126 Uiso 1 1 calc R . . . .
C186 C 0.6848(15) 0.675(3) 0.598(2) 0.217(18) Uani 1 1 d D U . . .
H18I H 0.700576 0.695617 0.613586 0.261 Uiso 1 1 calc R . . . .
H18J H 0.706579 0.653766 0.587100 0.261 Uiso 1 1 calc R . . . .
C190 C 0.3708(18) 0.3664(17) 0.6520(10) 0.157(9) Uani 1 1 d D U . . .
H19A H 0.390352 0.343329 0.662912 0.189 Uiso 1 1 calc R . . . .
H19B H 0.353152 0.380730 0.670309 0.189 Uiso 1 1 calc R . . . .
C193 C 0.4668(15) 1.0291(12) 0.7066(9) 0.139(7) Uani 1 1 d D U . . .
H19C H 0.493837 1.044795 0.699086 0.166 Uiso 1 1 calc R . . . .
H19D H 0.442015 1.046353 0.696674 0.166 Uiso 1 1 calc R . . . .
C195 C 0.286(2) 0.7191(13) 0.7372(10) 0.159(8) Uani 1 1 d D U . . .
H19E H 0.263820 0.741330 0.746142 0.191 Uiso 1 1 calc DR . . . .
H19F H 0.313950 0.735572 0.737858 0.191 Uiso 1 1 calc R . . . .
C198 C 0.217(2) 0.5055(16) 0.3513(13) 0.153(7) Uani 1 1 d D U . . .
H19G H 0.226129 0.474332 0.343191 0.183 Uiso 1 1 calc R . . . .
H19H H 0.184652 0.506497 0.349245 0.183 Uiso 1 1 calc R . . . .
C202 C 0.485(2) 0.502(3) 0.4525(16) 0.158(7) Uani 1 1 d D U . . .
H20A H 0.465959 0.476237 0.445071 0.189 Uiso 1 1 calc R . . . .
H20B H 0.494983 0.518740 0.431693 0.189 Uiso 1 1 calc R . . . .
C203 C 0.4926(19) 1.000(2) 0.7640(10) 0.139(7) Uani 1 1 d D U . . .
H20C H 0.484886 1.001632 0.788510 0.167 Uiso 1 1 calc R . . . .
H20D H 0.523136 1.009756 0.761402 0.167 Uiso 1 1 calc R . . . .
C213 C 0.2283(18) 0.5667(16) 0.6356(17) 0.159(8) Uani 1 1 d D U . . .
H21A H 0.205767 0.577859 0.619501 0.191 Uiso 1 1 calc R . . . .
H21B H 0.219764 0.577159 0.658715 0.191 Uiso 1 1 calc R . . . .
C217 C 0.2652(15) 1.1028(15) 0.6922(15) 0.125(6) Uani 1 1 d D U . . .
H21C H 0.269673 1.100562 0.717160 0.151 Uiso 1 1 calc R . . . .
H21D H 0.244816 1.129041 0.688154 0.151 Uiso 1 1 calc R . . . .
C218 C 0.6087(14) 0.4629(14) 0.5898(12) 0.155(8) Uani 1 1 d D U . . .
H21E H 0.638384 0.476170 0.590261 0.186 Uiso 1 1 calc R . . . .
H21F H 0.604495 0.448557 0.567048 0.186 Uiso 1 1 calc R . . . .
C224 C 0.318(2) 1.1041(16) 0.4361(11) 0.159(13) Uani 1 1 d D U . . .
H22C H 0.291382 1.122312 0.430939 0.191 Uiso 1 1 calc R . . . .
H22D H 0.342338 1.118741 0.423635 0.191 Uiso 1 1 calc R . . . .
C229 C 0.387(2) 0.422(2) 0.6039(14) 0.157(9) Uani 1 1 d D U . . .
C231 C 0.4775(11) 0.529(2) 0.7526(11) 0.169(10) Uani 1 1 d D U . . .
H23A H 0.488891 0.559700 0.759726 0.203 Uiso 1 1 calc R . . . .
H23B H 0.502721 0.507634 0.749955 0.203 Uiso 1 1 calc R . . . .
C238 C 0.6914(10) 0.8662(12) 0.4774(12) 0.105(7) Uani 1 1 d D U . . .
H23C H 0.705639 0.885963 0.459950 0.126 Uiso 1 1 calc R . . . .
H23D H 0.699501 0.878883 0.500080 0.126 Uiso 1 1 calc R . . . .
C239 C 0.3976(17) 0.4029(19) 0.6370(13) 0.157(9) Uani 1 1 d D U . . .
H23E H 0.398402 0.429302 0.653351 0.189 Uiso 1 1 calc R . . . .
H23F H 0.427544 0.390567 0.635325 0.189 Uiso 1 1 calc R . . . .
C242 C 0.6660(16) 0.704(2) 0.5707(19) 0.218(18) Uani 1 1 d D U . . .
H24A H 0.661309 0.735259 0.580317 0.262 Uiso 1 1 calc R . . . .
H24B H 0.688051 0.706733 0.552475 0.262 Uiso 1 1 calc R . . . .
C252 C 0.3121(18) 1.0561(18) 0.4237(10) 0.158(13) Uani 1 1 d D U . . .
H25C H 0.316548 1.056198 0.398660 0.190 Uiso 1 1 calc R . . . .
H25D H 0.281659 1.046877 0.427940 0.190 Uiso 1 1 calc R . . . .
C253 C 0.3346(12) 1.0788(15) 0.6643(14) 0.127(6) Uani 1 1 d D U . . .
H25E H 0.359738 1.076824 0.680001 0.152 Uiso 1 1 calc R . . . .
H25F H 0.345938 1.088534 0.641761 0.152 Uiso 1 1 calc R . . . .
C254 C 0.2275(19) 0.5087(16) 0.3883(12) 0.153(6) Uani 1 1 d D U . . .
H25G H 0.202871 0.495921 0.401571 0.183 Uiso 1 1 calc R . . . .
H25H H 0.252990 0.488540 0.392795 0.183 Uiso 1 1 calc R . . . .
C267 C 0.0313(12) 0.7298(17) 0.3336(10) 0.127(9) Uani 1 1 d D U . . .
H26A H 0.031850 0.763935 0.337882 0.152 Uiso 1 1 calc R . . . .
H26B H 0.000526 0.720256 0.331435 0.152 Uiso 1 1 calc R . . . .
C268 C 0.375(2) 0.7192(18) 0.2712(10) 0.148(7) Uani 1 1 d D U . . .
H26C H 0.349750 0.738776 0.264224 0.178 Uiso 1 1 calc R . . . .
H26D H 0.395380 0.719004 0.251883 0.178 Uiso 1 1 calc R . . . .
C276 C 0.4579(16) 0.836(2) 0.1920(9) 0.141(8) Uani 1 1 d D U . . .
H27C H 0.453013 0.807055 0.179024 0.169 Uiso 1 1 calc R . . . .
H27D H 0.455541 0.862730 0.175787 0.169 Uiso 1 1 calc R . . . .
C277 C 0.351(2) 0.4025(19) 0.5848(11) 0.158(8) Uani 1 1 d D U . . .
H27E H 0.362643 0.389540 0.563319 0.189 Uiso 1 1 calc R . . . .
H27F H 0.331297 0.428707 0.578334 0.189 Uiso 1 1 calc R . . . .
C280 C 0.5653(13) 0.4141(10) 0.6303(14) 0.155(8) Uani 1 1 d D U . . .
H28C H 0.570934 0.400822 0.653239 0.186 Uiso 1 1 calc R . . . .
H28D H 0.551883 0.389125 0.616384 0.186 Uiso 1 1 calc R . . . .
C282 C 0.4332(16) 1.1558(17) 0.6129(9) 0.125(5) Uani 1 1 d D U . . .
H28E H 0.407315 1.143929 0.625099 0.150 Uiso 1 1 calc R . . . .
H28F H 0.447800 1.178360 0.628214 0.150 Uiso 1 1 calc R . . . .
C285 C 0.6408(14) 0.6542(13) 0.2857(13) 0.103(6) Uani 1 1 d D U . . .
H28G H 0.656059 0.658723 0.263728 0.124 Uiso 1 1 calc R . . . .
H28H H 0.660966 0.664457 0.303899 0.124 Uiso 1 1 calc R . . . .
C286 C 0.2140(15) 0.5757(17) 0.5155(13) 0.152(8) Uani 1 1 d D U . . .
H28I H 0.205267 0.590844 0.537185 0.182 Uiso 1 1 calc R . . . .
H28J H 0.246030 0.578119 0.513979 0.182 Uiso 1 1 calc R . . . .
C287 C 0.6548(17) 0.646(3) 0.6180(16) 0.218(18) Uani 1 1 d D U . . .
H28K H 0.670385 0.616740 0.624848 0.261 Uiso 1 1 calc R . . . .
H28L H 0.647531 0.662820 0.639171 0.261 Uiso 1 1 calc R . . . .
C293 C 0.3763(19) 0.4119(18) 0.4622(13) 0.155(7) Uani 1 1 d D U . . .
H29A H 0.372302 0.384390 0.477173 0.186 Uiso 1 1 calc R . . . .
H29B H 0.406993 0.411780 0.454685 0.186 Uiso 1 1 calc R . . . .
C294 C 0.6142(10) 0.8665(18) 0.3232(9) 0.125(6) Uani 1 1 d D U . . .
H29C H 0.611055 0.838415 0.308661 0.150 Uiso 1 1 calc R . . . .
H29D H 0.585947 0.882914 0.323333 0.150 Uiso 1 1 calc R . . . .
C295 C 0.5782(14) 0.5012(13) 0.5932(10) 0.155(7) Uani 1 1 d D U . . .
H29E H 0.561720 0.503825 0.571549 0.186 Uiso 1 1 calc R . . . .
H29F H 0.594851 0.530525 0.596048 0.186 Uiso 1 1 calc DR . . . .
C304 C 0.6461(12) 0.8971(18) 0.3077(10) 0.126(6) Uani 1 1 d D U . . .
H30C H 0.632770 0.928388 0.305196 0.151 Uiso 1 1 calc R . . . .
H30D H 0.651903 0.885233 0.284344 0.151 Uiso 1 1 calc R . . . .
C306 C 0.3069(14) 1.1151(13) 0.6764(13) 0.126(6) Uani 1 1 d D U . . .
H30E H 0.300745 1.136086 0.656930 0.152 Uiso 1 1 calc R . . . .
H30F H 0.323567 1.133522 0.693339 0.152 Uiso 1 1 calc R . . . .
C312 C 0.4049(12) 0.524(3) 0.7794(10) 0.169(10) Uani 1 1 d D U . . .
H31A H 0.388246 0.501054 0.792592 0.203 Uiso 1 1 calc R . . . .
H31B H 0.402167 0.554744 0.791449 0.203 Uiso 1 1 calc R . . . .
C342 C 0.2444(12) 1.0605(16) 0.6811(14) 0.128(6) Uani 1 1 d D U . . .
H34A H 0.223676 1.068785 0.662729 0.153 Uiso 1 1 calc R . . . .
H34B H 0.227127 1.048253 0.700465 0.153 Uiso 1 1 calc R . . . .
C354 C 0.244(2) 0.5868(16) 0.3411(12) 0.152(7) Uani 1 1 d D U . . .
H35C H 0.269826 0.598490 0.329153 0.182 Uiso 1 1 calc R . . . .
H35D H 0.219256 0.607545 0.334714 0.182 Uiso 1 1 calc R . . . .
C392 C 0.3710(14) 0.5275(16) 0.3511(12) 0.157(8) Uani 1 1 d D U . . .
H39A H 0.353391 0.544235 0.333903 0.189 Uiso 1 1 calc R . . . .
H39B H 0.351296 0.506990 0.364306 0.189 Uiso 1 1 calc DR . . . .
C393 C 0.3845(11) 0.529(3) 0.7460(9) 0.169(10) Uani 1 1 d D U . . .
H39C H 0.359856 0.551217 0.748425 0.202 Uiso 1 1 calc R . . . .
H39D H 0.372273 0.498460 0.739659 0.202 Uiso 1 1 calc R . . . .
C395 C 0.4382(17) 0.5259(19) 0.3172(12) 0.157(8) Uani 1 1 d D U . . .
H39E H 0.461095 0.504554 0.308792 0.188 Uiso 1 1 calc R . . . .
H39F H 0.425907 0.542362 0.297208 0.188 Uiso 1 1 calc R . . . .


_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
Cd1 S01K 2.492(10) . ?
Cd1 S3 2.520(11) . ?
Cd1 S6 2.548(10) . ?
Cd1 S7 2.570(8) . ?
Cd2 S2 2.470(10) . ?
Cd2 S4 2.598(11) . ?
Cd2 S5 2.444(15) . ?
Cd2 S6 2.667(9) . ?
Cd3 S1 2.529(11) . ?
Cd3 S4 2.549(13) . ?
Cd3 S7 2.585(10) . ?
Cd3 S8 2.510(10) . ?
Cd4 S9 2.467(14) . ?
Cd4 S13 2.629(11) . ?
Cd4 S15 2.570(14) . ?
Cd4 S17 2.556(17) . ?
Cd5 S10 2.419(13) . ?
Cd5 S12 2.512(12) . ?
Cd5 S13 2.589(14) . ?
Cd5 S14 2.536(12) . ?
Cd6 Ag30 3.334(5) . ?
Cd6 S11 2.487(16) . ?
Cd6 S14 2.585(12) . ?
Cd6 S15 2.610(12) . ?
Cd6 S16 2.495(14) . ?
Cd7 S28 2.408(17) . ?
Cd7 S32 2.569(10) . ?
Cd7 S33 2.509(10) . ?
Cd7 S34 2.614(10) . ?
Cd8 Ag31 3.385(6) . ?
Cd8 S27 2.501(15) . ?
Cd8 S31 2.539(8) . ?
Cd8 S34 2.646(9) . ?
Cd8 S35 2.446(14) . ?
Cd9 S29 2.458(17) . ?
Cd9 S30 2.546(10) . ?
Cd9 S31 2.663(9) . ?
Cd9 S32 2.619(11) . ?
Cd10 S20 2.487(10) . ?
Cd10 S23 2.595(11) . ?
Cd10 S25 2.552(14) . ?
Cd10 S26 2.543(16) . ?
Cd11 S19 2.500(11) . ?
Cd11 S22 2.606(10) . ?
Cd11 S24 2.535(10) . ?
Cd11 S25 2.602(15) . ?
Cd12 S18 2.478(11) . ?
Cd12 S21 2.520(10) . ?
Cd12 S22 2.605(11) . ?
Cd12 S23 2.636(14) . ?
Ag1 Ag2 2.875(4) . ?
Ag1 Ag3 2.870(4) . ?
Ag1 Ag4 2.865(3) . ?
Ag1 Ag8 3.017(5) . ?
Ag1 Ag10 2.828(4) . ?
Ag1 Ag11 2.695(4) . ?
Ag1 Ag13 2.668(4) . ?
Ag1 Ag19 3.021(4) . ?
Ag1 Ag20 2.793(4) . ?
Ag1 Ag21 2.794(4) . ?
Ag1 Ag22 3.089(4) . ?
Ag1 Ag26 2.678(5) . ?
Ag2 Ag3 2.909(5) . ?
Ag2 Ag4 2.853(4) . ?
Ag2 Ag5 2.776(4) . ?
Ag2 Ag6 2.788(4) . ?
Ag2 Ag7 2.800(5) . ?
Ag2 Ag8 2.691(4) . ?
Ag2 Ag9 3.029(4) . ?
Ag2 Ag13 3.056(3) . ?
Ag2 Ag14 2.698(4) . ?
Ag2 Ag15 3.016(4) . ?
Ag2 Ag16 2.701(3) . ?
Ag3 Ag4 2.888(4) . ?
Ag3 Ag14 3.034(4) . ?
Ag3 Ag15 2.723(4) . ?
Ag3 Ag22 2.682(4) . ?
Ag3 Ag23 2.791(4) . ?
Ag3 Ag24 2.778(4) . ?
Ag3 Ag25 3.127(4) . ?
Ag3 Ag26 2.996(4) . ?
Ag3 Ag27 2.748(5) . ?
Ag3 Ag28 2.669(4) . ?
Ag4 Ag9 2.676(5) . ?
Ag4 Ag11 3.066(4) . ?
Ag4 Ag12 2.762(4) . ?
Ag4 Ag16 3.054(4) . ?
Ag4 Ag17 2.796(4) . ?
Ag4 Ag18 2.831(4) . ?
Ag4 Ag19 2.681(4) . ?
Ag4 Ag25 2.684(4) . ?
Ag4 Ag28 3.014(5) . ?
Ag5 Ag6 2.865(4) . ?
Ag5 Ag7 2.858(4) . ?
Ag5 Ag8 3.048(4) . ?
Ag5 Ag13 2.868(4) . ?
Ag5 Ag14 3.031(5) . ?
Ag5 S26 2.536(12) . ?
Ag6 Ag7 2.861(4) . ?
Ag6 Ag14 3.056(4) . ?
Ag6 Ag15 2.894(5) . ?
Ag6 Ag16 3.049(4) . ?
Ag6 S01K 2.501(11) . ?
Ag7 Ag8 3.041(4) . ?
Ag7 Ag9 2.927(4) . ?
Ag7 Ag16 3.068(4) . ?
Ag7 S33 2.458(12) . ?
Ag8 Ag9 2.997(3) . ?
Ag8 Ag10 2.901(4) . ?
Ag8 Ag11 3.001(4) . ?
Ag8 Ag13 2.831(4) . ?
Ag8 S32 2.573(12) . ?
Ag9 Ag11 2.971(4) . ?
Ag9 Ag12 3.007(4) . ?
Ag9 Ag16 2.835(4) . ?
Ag9 Ag17 3.082(4) . ?
Ag9 S34 2.490(11) . ?
Ag10 Ag11 3.028(3) . ?
Ag10 Ag13 3.111(4) . ?
Ag10 Ag20 2.825(5) . ?
Ag10 Ag21 2.881(5) . ?
Ag10 S30 2.457(10) . ?
Ag11 Ag12 2.870(4) . ?
Ag11 Ag19 2.827(5) . ?
Ag11 Ag20 3.047(4) . ?
Ag11 S31 2.470(9) . ?
Ag12 Ag17 2.832(4) . ?
Ag12 Ag18 2.839(5) . ?
Ag12 Ag19 3.001(5) . ?
Ag12 S35 2.520(11) . ?
Ag13 Ag14 3.049(4) . ?
Ag13 Ag21 3.011(4) . ?
Ag13 Ag22 2.997(5) . ?
Ag13 S23 2.489(9) . ?
Ag14 Ag15 2.840(4) . ?
Ag14 Ag22 3.020(5) . ?
Ag14 Ag23 2.917(5) . ?
Ag14 S25 2.544(10) . ?
Ag15 Ag16 3.007(4) . ?
Ag15 Ag23 3.160(5) . ?
Ag15 Ag24 3.021(5) . ?
Ag15 Ag25 2.997(4) . ?
Ag15 S6 2.504(8) . ?
Ag16 Ag17 2.894(4) . ?
Ag16 Ag25 3.059(5) . ?
Ag16 S7 2.533(9) . ?
Ag17 Ag18 2.862(5) . ?
Ag17 Ag25 3.003(5) . ?
Ag17 S8 2.458(11) . ?
Ag18 Ag19 3.052(4) . ?
Ag18 Ag25 3.050(4) . ?
Ag18 Ag28 2.882(5) . ?
Ag18 S12 2.468(12) . ?
Ag19 Ag20 2.887(4) . ?
Ag19 Ag26 3.034(4) . ?
Ag19 Ag28 3.011(5) . ?
Ag19 S14 2.546(9) . ?
Ag20 Ag21 2.858(4) . ?
Ag20 Ag26 3.056(4) . ?
Ag20 S16 2.498(11) . ?
Ag21 Ag22 2.908(4) . ?
Ag21 Ag26 3.027(4) . ?
Ag21 S21 2.487(10) . ?
Ag22 Ag23 3.032(4) . ?
Ag22 Ag26 2.840(4) . ?
Ag22 Ag27 3.077(5) . ?
Ag22 S22 2.520(11) . ?
Ag23 Ag24 2.832(4) . ?
Ag23 Ag27 2.810(5) . ?
Ag23 S24 2.504(9) . ?
Ag24 Ag25 2.919(5) . ?
Ag24 Ag27 2.849(5) . ?
Ag24 Ag28 3.051(4) . ?
Ag24 S5 2.547(12) . ?
Ag25 Ag28 2.833(4) . ?
Ag25 S4 2.532(9) . ?
Ag26 Ag27 2.894(4) . ?
Ag26 Ag28 3.044(4) . ?
Ag26 S15 2.494(12) . ?
Ag27 Ag28 3.046(5) . ?
Ag27 S17 2.404(16) . ?
Ag28 S13 2.521(12) . ?
Ag29 S18 2.411(12) . ?
Ag29 S19 2.514(14) . ?
Ag29 S20 2.531(14) . ?
Ag30 S9 2.564(15) . ?
Ag30 S10 2.494(12) . ?
Ag30 S11 2.419(12) . ?
Ag31 S27 2.495(17) . ?
Ag31 S28 2.418(18) . ?
Ag31 S29 2.551(18) . ?
Ag32 S1 2.477(14) . ?
Ag32 S2 2.555(16) . ?
Ag32 S3 2.490(12) . ?
S1 C0CA 1.80(5) . ?
S01K C7AA 1.94(4) . ?
S2 C9AA 2.04(5) . ?
S3 C68 1.72(4) . ?
S4 C6 1.73(3) . ?
S5 C9CA 1.74(5) . ?
S6 C5 1.94(5) . ?
S7 C56 2.01(4) . ?
S8 C38 1.82(4) . ?
S9 C229 1.81(4) . ?
S10 C83 1.73(2) . ?
S11 C6AA 1.81(6) . ?
S12 C5DA 1.74(6) . ?
S13 C8DA 1.87(6) . ?
S14 C24 1.98(5) . ?
S15 C3BA 1.80(5) . ?
S16 C94 2.04(8) . ?
S17 C142 1.93(5) . ?
S18 C179 1.98(5) . ?
S19 C9DA 1.91(4) . ?
S20 C4CA 1.95(5) . ?
S21 C58 1.85(4) . ?
S22 C9 1.89(4) . ?
S23 C0AA 1.83(3) . ?
S24 C39 1.79(4) . ?
S25 C21 2.09(4) . ?
S26 C1GA 1.82(3) . ?
S27 C5BA 1.59(4) . ?
S28 C111 2.03(5) . ?
S29 C0GA 1.64(5) . ?
S30 C8AA 1.84(3) . ?
S31 C2AA 1.67(5) . ?
S32 C20 1.85(4) . ?
S33 C6FA 1.63(5) . ?
S34 C16 1.88(4) . ?
S35 C93 1.70(4) . ?
C0AA C13 1.456(12) . ?
C0AA C37 1.470(12) . ?
C0BA C21 1.44(3) . ?
C0BA C168 1.48(3) . ?
C0CA C42 1.449(19) . ?
C0CA C294 1.452(19) . ?
C0DA C11 1.43(3) . ?
C0DA C21 1.47(3) . ?
C0EA C193 1.47(3) . ?
C0EA C203 1.48(6) . ?
C0FA C101 1.47(3) . ?
C0FA C185 1.47(3) . ?
C0GA C116 1.44(3) . ?
C0GA C253 1.45(3) . ?
C1AA C20 1.46(3) . ?
C1AA C96 1.47(3) . ?
C1BA C9 1.451(12) . ?
C1BA C55 1.454(12) . ?
C1CA C68 1.43(3) . ?
C1CA C146 1.44(3) . ?
C1DA C2DA 1.43(3) . ?
C1DA C4CA 1.43(3) . ?
C1EA C6CA 1.52(3) . ?
C1EA C8AA 1.49(3) . ?
C1FA C38 1.47(3) . ?
C1FA C238 1.45(3) . ?
C1GA C2GA 1.47(2) . ?
C1GA C3GA 1.47(2) . ?
C2 C7 1.43(3) . ?
C2 C20 1.43(3) . ?
C2AA C3AA 1.46(3) . ?
C2AA C5AA 1.47(3) . ?
C2BA C97 1.47(3) . ?
C2BA C164 1.47(3) . ?
C2CA C3CA 1.457(12) . ?
C2CA C286 1.454(12) . ?
C2DA C134 1.49(3) . ?
C2EA C8AA 1.44(3) . ?
C2EA C44 1.49(3) . ?
C2FA C177 1.45(3) . ?
C2FA C268 1.46(3) . ?
C2GA C78 1.45(2) . ?
C3AA C59 1.45(3) . ?
C3BA C5CA 1.49(3) . ?
C3BA C102 1.51(3) . ?
C3CA C55 1.451(12) . ?
C3DA C4AA 1.48(3) . ?
C3DA C5AA 1.46(3) . ?
C3EA C6CA 1.49(3) . ?
C3EA C44 1.47(3) . ?
C3FA C4FA 1.447(12) . ?
C3FA C114 1.452(12) . ?
C3GA C47 1.45(2) . ?
C4AA C59 1.47(3) . ?
C4BA C138 1.44(3) . ?
C4BA C213 1.46(3) . ?
C4CA C40 1.44(3) . ?
C4DA C5BA 1.46(3) . ?
C4DA C6BA 1.47(3) . ?
C4EA C142 1.46(3) . ?
C4EA C293 1.43(3) . ?
C4FA C179 1.443(12) . ?
C4GA C47 1.44(2) . ?
C4GA C78 1.45(2) . ?
C5 C45 1.47(3) . ?
C5 C62 1.50(3) . ?
C5BA C193 1.48(3) . ?
C5CA C138 1.47(3) . ?
C5DA C5GA 1.47(2) . ?
C5DA C143 1.48(2) . ?
C5FA C392 1.50(3) . ?
C5FA C395 1.47(3) . ?
C5GA C287 1.45(2) . ?
C6 C60 1.46(3) . ?
C6 C154 1.47(3) . ?
C6AA C8FA 1.46(3) . ?
C6AA C393 1.48(3) . ?
C6BA C203 1.55(6) . ?
C6DA C218 1.449(12) . ?
C6DA C280 1.450(12) . ?
C6FA C7FA 1.41(3) . ?
C6FA C108 1.46(3) . ?
C6GA C9FA 1.46(2) . ?
C6GA C304 1.46(2) . ?
C7 C32 1.45(3) . ?
C7AA C8CA 1.46(3) . ?
C7AA C8EA 1.44(3) . ?
C7BA C113 1.456(12) . ?
C7BA C277 1.453(12) . ?
C7CA C28 1.46(3) . ?
C7CA C56 1.46(3) . ?
C7DA C154 1.52(3) . ?
C7DA C171 1.46(3) . ?
C7EA C8CA 1.47(3) . ?
C7EA C165 1.49(3) . ?
C7FA C65 1.46(3) . ?
C8 C16 1.58(6) . ?
C8 C30 1.53(5) . ?
C8BA C33 1.46(3) . ?
C8BA C152 1.45(3) . ?
C8DA C22 1.44(4) . ?
C8DA C35 1.47(4) . ?
C8EA C9EA 1.51(3) . ?
C8FA C231 1.43(3) . ?
C9 C286 1.449(12) . ?
C9AA C9BA 1.47(3) . ?
C9AA C43 1.41(3) . ?
C9BA C285 1.48(3) . ?
C9CA C82 1.43(3) . ?
C9CA C119 1.45(3) . ?
C9DA C157 1.45(3) . ?
C9DA C178 1.42(3) . ?
C9EA C165 1.48(3) . ?
C9FA C42 1.46(2) . ?
C11 C169 1.43(3) . ?
C13 C18 1.459(12) . ?
C16 C19 1.48(6) . ?
C18 C135 1.471(12) . ?
C19 C98 1.37(6) . ?
C22 C180 1.45(4) . ?
C24 C52 1.455(12) . ?
C24 C72 1.456(12) . ?
C25 C41 1.48(3) . ?
C25 C56 1.48(3) . ?
C27 C83 1.470(8) . ?
C27 C280 1.455(11) . ?
C28 C90 1.52(3) . ?
C30 C50 1.45(6) . ?
C32 C96 1.48(3) . ?
C33 C63 1.43(3) . ?
C35 C202 1.47(4) . ?
C37 C57 1.458(12) . ?
C38 C101 1.44(3) . ?
C39 C181 1.43(3) . ?
C39 C354 1.45(3) . ?
C40 C126 1.38(3) . ?
C41 C90 1.48(3) . ?
C43 C85 1.44(3) . ?
C45 C177 1.44(3) . ?
C50 C98 1.58(5) . ?
C51 C53 1.449(12) . ?
C51 C179 1.450(12) . ?
C52 C54 1.452(13) . ?
C53 C114 1.450(12) . ?
C54 C81 1.455(12) . ?
C57 C135 1.464(12) . ?
C58 C76 1.48(2) . ?
C58 C164 1.49(2) . ?
C60 C137 1.47(3) . ?
C61 C93 1.46(3) . ?
C61 C152 1.46(3) . ?
C62 C268 1.46(3) . ?
C63 C93 1.46(3) . ?
C65 C224 1.48(3) . ?
C66 C84 1.48(3) . ?
C66 C103 1.41(3) . ?
C68 C173 1.47(3) . ?
C69 C76 1.46(3) . ?
C69 C97 1.48(3) . ?
C72 C77 1.459(13) . ?
C77 C81 1.460(12) . ?
C82 C392 1.49(3) . ?
C83 C295 1.471(8) . ?
C84 C142 1.47(3) . ?
C85 C163 1.43(3) . ?
C87 C173 1.47(2) . ?
C87 C276 1.47(2) . ?
C88 C128 1.48(3) . ?
C88 C195 1.44(3) . ?
C94 C109 1.48(3) . ?
C94 C139 1.48(3) . ?
C102 C213 1.46(3) . ?
C103 C293 1.47(3) . ?
C107 C147 1.46(2) . ?
C107 C157 1.45(2) . ?
C108 C252 1.49(3) . ?
C109 C195 1.43(3) . ?
C111 C117 1.45(2) . ?
C111 C158 1.45(2) . ?
C113 C190 1.454(12) . ?
C116 C342 1.46(3) . ?
C117 C125 1.46(2) . ?
C119 C395 1.47(3) . ?
C120 C231 1.46(3) . ?
C120 C312 1.46(3) . ?
C125 C127 1.45(2) . ?
C126 C134 1.46(3) . ?
C127 C282 1.44(2) . ?
C128 C139 1.44(3) . ?
C130 C180 1.46(4) . ?
C130 C202 1.45(4) . ?
C137 C171 1.47(3) . ?
C143 C242 1.45(2) . ?
C146 C276 1.46(3) . ?
C147 C267 1.47(2) . ?
C158 C282 1.46(2) . ?
C163 C285 1.44(3) . ?
C168 C169 1.48(3) . ?
C176 C198 1.44(3) . ?
C176 C354 1.46(3) . ?
C178 C267 1.46(2) . ?
C181 C254 1.48(3) . ?
C185 C238 1.44(3) . ?
C186 C242 1.46(2) . ?
C186 C287 1.48(2) . ?
C190 C239 1.455(12) . ?
C198 C254 1.49(3) . ?
C217 C306 1.47(3) . ?
C217 C342 1.43(3) . ?
C218 C295 1.451(11) . ?
C224 C252 1.47(3) . ?
C229 C239 1.448(11) . ?
C229 C277 1.446(11) . ?
C253 C306 1.42(3) . ?
C294 C304 1.45(2) . ?
C312 C393 1.46(3) . ?

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
S01K Cd1 S3 131.0(4) . . ?
S01K Cd1 S6 95.1(4) . . ?
S01K Cd1 S7 112.8(3) . . ?
S3 Cd1 S6 118.5(4) . . ?
S3 Cd1 S7 102.3(3) . . ?
S6 Cd1 S7 90.2(4) . . ?
S2 Cd2 S4 116.3(4) . . ?
S2 Cd2 S6 100.2(4) . . ?
S4 Cd2 S6 95.4(3) . . ?
S5 Cd2 S2 130.4(5) . . ?
S5 Cd2 S4 98.9(4) . . ?
S5 Cd2 S6 110.6(4) . . ?
S1 Cd3 S4 102.3(5) . . ?
S1 Cd3 S7 119.2(4) . . ?
S4 Cd3 S7 97.7(4) . . ?
S8 Cd3 S1 132.2(4) . . ?
S8 Cd3 S4 109.8(4) . . ?
S8 Cd3 S7 91.0(3) . . ?
S9 Cd4 S13 100.3(5) . . ?
S9 Cd4 S15 119.0(4) . . ?
S9 Cd4 S17 134.9(5) . . ?
S15 Cd4 S13 93.7(4) . . ?
S17 Cd4 S13 109.1(4) . . ?
S17 Cd4 S15 92.8(5) . . ?
S10 Cd5 S12 133.7(4) . . ?
S10 Cd5 S13 118.1(5) . . ?
S10 Cd5 S14 97.0(4) . . ?
S12 Cd5 S13 93.8(4) . . ?
S12 Cd5 S14 114.2(4) . . ?
S14 Cd5 S13 94.1(4) . . ?
S11 Cd6 Ag30 46.3(3) . . ?
S11 Cd6 S14 120.6(3) . . ?
S11 Cd6 S15 101.9(5) . . ?
S11 Cd6 S16 128.0(4) . . ?
S14 Cd6 Ag30 81.1(3) . . ?
S14 Cd6 S15 94.5(3) . . ?
S15 Cd6 Ag30 82.4(3) . . ?
S16 Cd6 Ag30 164.0(3) . . ?
S16 Cd6 S14 94.1(4) . . ?
S16 Cd6 S15 113.3(4) . . ?
S28 Cd7 S32 105.2(4) . . ?
S28 Cd7 S33 130.0(5) . . ?
S28 Cd7 S34 113.9(5) . . ?
S32 Cd7 S34 94.9(4) . . ?
S33 Cd7 S32 103.0(4) . . ?
S33 Cd7 S34 103.7(4) . . ?
S27 Cd8 Ag31 47.3(4) . . ?
S27 Cd8 S31 120.9(4) . . ?
S27 Cd8 S34 106.5(4) . . ?
S31 Cd8 Ag31 85.6(2) . . ?
S31 Cd8 S34 93.6(3) . . ?
S34 Cd8 Ag31 79.1(2) . . ?
S35 Cd8 Ag31 171.6(3) . . ?
S35 Cd8 S27 125.0(5) . . ?
S35 Cd8 S31 102.5(4) . . ?
S35 Cd8 S34 102.2(4) . . ?
S29 Cd9 S30 132.2(5) . . ?
S29 Cd9 S31 100.4(5) . . ?
S29 Cd9 S32 116.3(5) . . ?
S30 Cd9 S31 103.8(3) . . ?
S30 Cd9 S32 101.5(3) . . ?
S32 Cd9 S31 95.8(3) . . ?
S20 Cd10 S23 118.7(4) . . ?
S20 Cd10 S25 100.3(4) . . ?
S20 Cd10 S26 133.3(5) . . ?
S25 Cd10 S23 95.6(4) . . ?
S26 Cd10 S23 93.8(5) . . ?
S26 Cd10 S25 109.4(4) . . ?
S19 Cd11 S22 104.8(4) . . ?
S19 Cd11 S24 126.9(4) . . ?
S19 Cd11 S25 118.3(4) . . ?
S24 Cd11 S22 109.4(3) . . ?
S24 Cd11 S25 97.8(4) . . ?
S25 Cd11 S22 95.2(4) . . ?
S18 Cd12 S21 133.5(3) . . ?
S18 Cd12 S22 115.3(4) . . ?
S18 Cd12 S23 98.7(4) . . ?
S21 Cd12 S22 100.0(3) . . ?
S21 Cd12 S23 109.4(4) . . ?
S22 Cd12 S23 92.4(4) . . ?
Ag2 Ag1 Ag8 54.29(9) . . ?
Ag2 Ag1 Ag19 113.70(10) . . ?
Ag2 Ag1 Ag22 87.41(10) . . ?
Ag3 Ag1 Ag2 60.84(10) . . ?
Ag3 Ag1 Ag8 115.10(12) . . ?
Ag3 Ag1 Ag19 87.47(11) . . ?
Ag3 Ag1 Ag22 53.34(9) . . ?
Ag4 Ag1 Ag2 59.61(9) . . ?
Ag4 Ag1 Ag3 60.47(10) . . ?
Ag4 Ag1 Ag8 87.81(12) . . ?
Ag4 Ag1 Ag19 54.11(9) . . ?
Ag4 Ag1 Ag22 113.81(11) . . ?
Ag8 Ag1 Ag19 119.19(13) . . ?
Ag8 Ag1 Ag22 118.80(11) . . ?
Ag10 Ag1 Ag2 112.06(14) . . ?
Ag10 Ag1 Ag3 163.08(12) . . ?
Ag10 Ag1 Ag4 131.42(14) . . ?
Ag10 Ag1 Ag8 59.41(10) . . ?
Ag10 Ag1 Ag19 109.26(11) . . ?
Ag10 Ag1 Ag22 113.33(10) . . ?
Ag11 Ag1 Ag2 94.66(12) . . ?
Ag11 Ag1 Ag3 127.30(11) . . ?
Ag11 Ag1 Ag4 66.87(10) . . ?
Ag11 Ag1 Ag8 63.10(11) . . ?
Ag11 Ag1 Ag10 66.46(10) . . ?
Ag11 Ag1 Ag19 58.96(11) . . ?
Ag11 Ag1 Ag20 67.43(10) . . ?
Ag11 Ag1 Ag21 119.69(12) . . ?
Ag11 Ag1 Ag22 177.83(15) . . ?
Ag13 Ag1 Ag2 66.79(10) . . ?
Ag13 Ag1 Ag3 94.41(11) . . ?
Ag13 Ag1 Ag4 126.39(13) . . ?
Ag13 Ag1 Ag8 59.35(11) . . ?
Ag13 Ag1 Ag10 68.89(10) . . ?
Ag13 Ag1 Ag11 119.19(15) . . ?
Ag13 Ag1 Ag19 178.00(16) . . ?
Ag13 Ag1 Ag20 119.54(11) . . ?
Ag13 Ag1 Ag21 66.87(10) . . ?
Ag13 Ag1 Ag22 62.25(11) . . ?
Ag13 Ag1 Ag26 117.44(13) . . ?
Ag19 Ag1 Ag22 119.57(14) . . ?
Ag20 Ag1 Ag2 162.02(14) . . ?
Ag20 Ag1 Ag3 131.06(15) . . ?
Ag20 Ag1 Ag4 111.61(11) . . ?
Ag20 Ag1 Ag8 112.51(13) . . ?
Ag20 Ag1 Ag10 60.33(10) . . ?
Ag20 Ag1 Ag19 59.38(9) . . ?
Ag20 Ag1 Ag21 61.54(9) . . ?
Ag20 Ag1 Ag22 110.52(13) . . ?
Ag21 Ag1 Ag2 131.62(11) . . ?
Ag21 Ag1 Ag3 110.20(13) . . ?
Ag21 Ag1 Ag4 162.19(16) . . ?
Ag21 Ag1 Ag8 109.98(12) . . ?
Ag21 Ag1 Ag10 61.67(10) . . ?
Ag21 Ag1 Ag19 113.11(13) . . ?
Ag21 Ag1 Ag22 59.01(9) . . ?
Ag26 Ag1 Ag2 126.10(13) . . ?
Ag26 Ag1 Ag3 65.27(11) . . ?
Ag26 Ag1 Ag4 95.11(12) . . ?
Ag26 Ag1 Ag8 176.66(12) . . ?
Ag26 Ag1 Ag10 119.21(13) . . ?
Ag26 Ag1 Ag11 119.57(13) . . ?
Ag26 Ag1 Ag19 64.00(11) . . ?
Ag26 Ag1 Ag20 67.88(11) . . ?
Ag26 Ag1 Ag21 67.13(11) . . ?
Ag26 Ag1 Ag22 58.49(10) . . ?
Ag1 Ag2 Ag3 59.49(10) . . ?
Ag1 Ag2 Ag9 86.53(10) . . ?
Ag1 Ag2 Ag13 53.36(8) . . ?
Ag1 Ag2 Ag15 114.16(14) . . ?
Ag3 Ag2 Ag9 114.17(12) . . ?
Ag3 Ag2 Ag13 85.91(11) . . ?
Ag3 Ag2 Ag15 54.68(10) . . ?
Ag4 Ag2 Ag1 60.02(9) . . ?
Ag4 Ag2 Ag3 60.15(10) . . ?
Ag4 Ag2 Ag9 54.02(10) . . ?
Ag4 Ag2 Ag13 113.37(12) . . ?
Ag4 Ag2 Ag15 86.40(11) . . ?
Ag5 Ag2 Ag1 110.17(11) . . ?
Ag5 Ag2 Ag3 129.85(13) . . ?
Ag5 Ag2 Ag4 162.47(14) . . ?
Ag5 Ag2 Ag6 61.99(10) . . ?
Ag5 Ag2 Ag7 61.66(11) . . ?
Ag5 Ag2 Ag9 113.75(14) . . ?
Ag5 Ag2 Ag13 58.69(9) . . ?
Ag5 Ag2 Ag15 111.13(11) . . ?
Ag6 Ag2 Ag1 162.29(13) . . ?
Ag6 Ag2 Ag3 111.84(13) . . ?
Ag6 Ag2 Ag4 131.66(11) . . ?
Ag6 Ag2 Ag7 61.59(11) . . ?
Ag6 Ag2 Ag9 111.09(13) . . ?
Ag6 Ag2 Ag13 113.28(10) . . ?
Ag6 Ag2 Ag15 59.66(10) . . ?
Ag7 Ag2 Ag1 130.85(13) . . ?
Ag7 Ag2 Ag3 164.29(12) . . ?
Ag7 Ag2 Ag4 112.21(13) . . ?
Ag7 Ag2 Ag9 60.13(10) . . ?
Ag7 Ag2 Ag13 109.75(12) . . ?
Ag7 Ag2 Ag15 113.44(12) . . ?
Ag8 Ag2 Ag1 65.54(11) . . ?
Ag8 Ag2 Ag3 124.98(13) . . ?
Ag8 Ag2 Ag4 94.73(11) . . ?
Ag8 Ag2 Ag5 67.75(10) . . ?
Ag8 Ag2 Ag6 120.10(15) . . ?
Ag8 Ag2 Ag7 67.21(12) . . ?
Ag8 Ag2 Ag9 62.85(10) . . ?
Ag8 Ag2 Ag13 58.60(10) . . ?
Ag8 Ag2 Ag14 119.08(11) . . ?
Ag8 Ag2 Ag15 178.37(12) . . ?
Ag8 Ag2 Ag16 118.35(14) . . ?
Ag9 Ag2 Ag13 118.35(11) . . ?
Ag14 Ag2 Ag1 94.77(12) . . ?
Ag14 Ag2 Ag3 65.38(11) . . ?
Ag14 Ag2 Ag4 125.46(16) . . ?
Ag14 Ag2 Ag5 67.22(11) . . ?
Ag14 Ag2 Ag6 67.67(11) . . ?
Ag14 Ag2 Ag7 119.75(13) . . ?
Ag14 Ag2 Ag9 178.00(12) . . ?
Ag14 Ag2 Ag13 63.64(9) . . ?
Ag14 Ag2 Ag15 59.29(10) . . ?
Ag14 Ag2 Ag16 119.05(12) . . ?
Ag15 Ag2 Ag9 118.78(10) . . ?
Ag15 Ag2 Ag13 119.86(12) . . ?
Ag16 Ag2 Ag1 126.60(12) . . ?
Ag16 Ag2 Ag3 96.61(12) . . ?
Ag16 Ag2 Ag4 66.66(9) . . ?
Ag16 Ag2 Ag5 120.34(14) . . ?
Ag16 Ag2 Ag6 67.46(10) . . ?
Ag16 Ag2 Ag7 67.77(11) . . ?
Ag16 Ag2 Ag9 58.97(9) . . ?
Ag16 Ag2 Ag13 176.91(15) . . ?
Ag16 Ag2 Ag15 63.19(10) . . ?
Ag1 Ag3 Ag2 59.67(10) . . ?
Ag1 Ag3 Ag4 59.67(9) . . ?
Ag1 Ag3 Ag14 88.01(11) . . ?
Ag1 Ag3 Ag25 112.49(12) . . ?
Ag1 Ag3 Ag26 54.27(10) . . ?
Ag2 Ag3 Ag14 53.96(10) . . ?
Ag2 Ag3 Ag25 85.74(12) . . ?
Ag2 Ag3 Ag26 113.93(12) . . ?
Ag4 Ag3 Ag2 58.96(10) . . ?
Ag4 Ag3 Ag14 112.87(14) . . ?
Ag4 Ag3 Ag25 52.82(9) . . ?
Ag4 Ag3 Ag26 88.11(11) . . ?
Ag14 Ag3 Ag25 117.42(13) . . ?
Ag15 Ag3 Ag1 124.31(16) . . ?
Ag15 Ag3 Ag2 64.65(11) . . ?
Ag15 Ag3 Ag4 91.46(13) . . ?
Ag15 Ag3 Ag14 58.83(10) . . ?
Ag15 Ag3 Ag23 69.94(11) . . ?
Ag15 Ag3 Ag24 66.63(12) . . ?
Ag15 Ag3 Ag25 61.18(9) . . ?
Ag15 Ag3 Ag26 178.50(16) . . ?
Ag15 Ag3 Ag27 120.89(14) . . ?
Ag22 Ag3 Ag1 67.51(10) . . ?
Ag22 Ag3 Ag2 94.96(12) . . ?
Ag22 Ag3 Ag4 127.18(13) . . ?
Ag22 Ag3 Ag14 63.43(10) . . ?
Ag22 Ag3 Ag15 119.58(13) . . ?
Ag22 Ag3 Ag23 67.25(11) . . ?
Ag22 Ag3 Ag24 120.86(15) . . ?
Ag22 Ag3 Ag25 179.14(17) . . ?
Ag22 Ag3 Ag26 59.72(10) . . ?
Ag22 Ag3 Ag27 69.02(13) . . ?
Ag23 Ag3 Ag1 132.78(12) . . ?
Ag23 Ag3 Ag2 112.04(13) . . ?
Ag23 Ag3 Ag4 161.26(14) . . ?
Ag23 Ag3 Ag14 59.94(11) . . ?
Ag23 Ag3 Ag25 112.95(12) . . ?
Ag23 Ag3 Ag26 110.55(14) . . ?
Ag24 Ag3 Ag1 162.89(14) . . ?
Ag24 Ag3 Ag2 129.37(14) . . ?
Ag24 Ag3 Ag4 110.17(12) . . ?
Ag24 Ag3 Ag14 109.03(13) . . ?
Ag24 Ag3 Ag23 61.14(11) . . ?
Ag24 Ag3 Ag25 58.89(10) . . ?
Ag24 Ag3 Ag26 114.86(15) . . ?
Ag26 Ag3 Ag14 120.07(11) . . ?
Ag26 Ag3 Ag25 119.53(11) . . ?
Ag27 Ag3 Ag1 112.99(13) . . ?
Ag27 Ag3 Ag2 163.87(13) . . ?
Ag27 Ag3 Ag4 132.12(14) . . ?
Ag27 Ag3 Ag14 114.04(14) . . ?
Ag27 Ag3 Ag23 60.96(12) . . ?
Ag27 Ag3 Ag24 62.08(12) . . ?
Ag27 Ag3 Ag25 110.30(13) . . ?
Ag27 Ag3 Ag26 60.32(11) . . ?
Ag28 Ag3 Ag1 94.79(12) . . ?
Ag28 Ag3 Ag2 124.48(15) . . ?
Ag28 Ag3 Ag4 65.57(12) . . ?
Ag28 Ag3 Ag14 175.19(14) . . ?
Ag28 Ag3 Ag15 116.40(12) . . ?
Ag28 Ag3 Ag22 121.27(15) . . ?
Ag28 Ag3 Ag23 119.99(17) . . ?
Ag28 Ag3 Ag24 68.10(12) . . ?
Ag28 Ag3 Ag25 57.87(10) . . ?
Ag28 Ag3 Ag26 64.69(10) . . ?
Ag28 Ag3 Ag27 68.42(14) . . ?
Ag1 Ag4 Ag3 59.85(9) . . ?
Ag1 Ag4 Ag11 53.91(8) . . ?
Ag1 Ag4 Ag16 114.60(11) . . ?
Ag1 Ag4 Ag28 87.82(12) . . ?
Ag2 Ag4 Ag1 60.38(9) . . ?
Ag2 Ag4 Ag3 60.89(10) . . ?
Ag2 Ag4 Ag11 87.53(10) . . ?
Ag2 Ag4 Ag16 54.28(8) . . ?
Ag2 Ag4 Ag28 114.55(13) . . ?
Ag3 Ag4 Ag11 113.73(10) . . ?
Ag3 Ag4 Ag16 89.67(11) . . ?
Ag3 Ag4 Ag28 53.71(10) . . ?
Ag9 Ag4 Ag1 93.82(12) . . ?
Ag9 Ag4 Ag2 66.36(11) . . ?
Ag9 Ag4 Ag3 127.24(13) . . ?
Ag9 Ag4 Ag11 61.87(11) . . ?
Ag9 Ag4 Ag12 67.12(12) . . ?
Ag9 Ag4 Ag16 58.86(10) . . ?
Ag9 Ag4 Ag17 68.51(12) . . ?
Ag9 Ag4 Ag18 119.73(14) . . ?
Ag9 Ag4 Ag19 117.22(14) . . ?
Ag9 Ag4 Ag25 119.48(14) . . ?
Ag9 Ag4 Ag28 178.36(13) . . ?
Ag12 Ag4 Ag1 110.56(12) . . ?
Ag12 Ag4 Ag2 131.52(16) . . ?
Ag12 Ag4 Ag3 160.79(15) . . ?
Ag12 Ag4 Ag11 58.71(9) . . ?
Ag12 Ag4 Ag16 109.51(13) . . ?
Ag12 Ag4 Ag17 61.24(10) . . ?
Ag12 Ag4 Ag18 60.97(12) . . ?
Ag12 Ag4 Ag28 112.31(13) . . ?
Ag16 Ag4 Ag11 118.22(14) . . ?
Ag17 Ag4 Ag1 162.16(17) . . ?
Ag17 Ag4 Ag2 111.69(13) . . ?
Ag17 Ag4 Ag3 132.75(13) . . ?
Ag17 Ag4 Ag11 112.30(14) . . ?
Ag17 Ag4 Ag16 59.10(10) . . ?
Ag17 Ag4 Ag18 61.13(11) . . ?
Ag17 Ag4 Ag28 109.85(13) . . ?
Ag18 Ag4 Ag1 131.07(14) . . ?
Ag18 Ag4 Ag2 162.80(14) . . ?
Ag18 Ag4 Ag3 111.11(15) . . ?
Ag18 Ag4 Ag11 109.60(12) . . ?
Ag18 Ag4 Ag16 113.19(11) . . ?
Ag18 Ag4 Ag28 58.98(11) . . ?
Ag19 Ag4 Ag1 65.92(10) . . ?
Ag19 Ag4 Ag2 126.27(12) . . ?
Ag19 Ag4 Ag3 93.97(13) . . ?
Ag19 Ag4 Ag11 58.48(11) . . ?
Ag19 Ag4 Ag12 66.90(12) . . ?
Ag19 Ag4 Ag16 175.90(17) . . ?
Ag19 Ag4 Ag17 119.08(12) . . ?
Ag19 Ag4 Ag18 67.18(11) . . ?
Ag19 Ag4 Ag25 119.13(16) . . ?
Ag19 Ag4 Ag28 63.51(12) . . ?
Ag25 Ag4 Ag1 128.01(14) . . ?
Ag25 Ag4 Ag2 95.80(11) . . ?
Ag25 Ag4 Ag3 68.17(11) . . ?
Ag25 Ag4 Ag11 176.68(13) . . ?
Ag25 Ag4 Ag12 118.58(12) . . ?
Ag25 Ag4 Ag16 64.05(11) . . ?
Ag25 Ag4 Ag17 66.42(11) . . ?
Ag25 Ag4 Ag18 67.07(11) . . ?
Ag25 Ag4 Ag28 59.28(11) . . ?
Ag28 Ag4 Ag11 119.30(12) . . ?
Ag28 Ag4 Ag16 120.37(12) . . ?
Ag2 Ag5 Ag6 59.22(9) . . ?
Ag2 Ag5 Ag7 59.59(10) . . ?
Ag2 Ag5 Ag8 54.81(9) . . ?
Ag2 Ag5 Ag13 65.54(10) . . ?
Ag2 Ag5 Ag14 55.17(10) . . ?
Ag6 Ag5 Ag8 106.79(10) . . ?
Ag6 Ag5 Ag13 116.80(14) . . ?
Ag6 Ag5 Ag14 62.36(11) . . ?
Ag7 Ag5 Ag6 59.99(10) . . ?
Ag7 Ag5 Ag8 61.88(9) . . ?
Ag7 Ag5 Ag13 113.63(12) . . ?
Ag7 Ag5 Ag14 107.70(12) . . ?
Ag13 Ag5 Ag8 57.07(10) . . ?
Ag13 Ag5 Ag14 62.17(11) . . ?
Ag14 Ag5 Ag8 99.68(12) . . ?
S26 Ag5 Ag2 166.3(4) . . ?
S26 Ag5 Ag6 130.8(4) . . ?
S26 Ag5 Ag7 131.7(4) . . ?
S26 Ag5 Ag8 120.3(4) . . ?
S26 Ag5 Ag13 100.9(4) . . ?
S26 Ag5 Ag14 118.1(4) . . ?
Ag2 Ag6 Ag5 58.79(9) . . ?
Ag2 Ag6 Ag7 59.41(11) . . ?
Ag2 Ag6 Ag14 54.77(9) . . ?
Ag2 Ag6 Ag15 64.08(11) . . ?
Ag2 Ag6 Ag16 54.90(8) . . ?
Ag5 Ag6 Ag14 61.48(10) . . ?
Ag5 Ag6 Ag15 112.14(13) . . ?
Ag5 Ag6 Ag16 106.87(11) . . ?
Ag7 Ag6 Ag5 59.88(10) . . ?
Ag7 Ag6 Ag14 106.95(12) . . ?
Ag7 Ag6 Ag15 115.37(12) . . ?
Ag7 Ag6 Ag16 62.46(10) . . ?
Ag15 Ag6 Ag14 56.94(10) . . ?
Ag15 Ag6 Ag16 60.73(10) . . ?
Ag16 Ag6 Ag14 99.33(12) . . ?
S01K Ag6 Ag2 164.7(3) . . ?
S01K Ag6 Ag5 134.8(3) . . ?
S01K Ag6 Ag7 130.4(3) . . ?
S01K Ag6 Ag14 121.2(3) . . ?
S01K Ag6 Ag15 101.0(3) . . ?
S01K Ag6 Ag16 116.1(2) . . ?
Ag2 Ag7 Ag5 58.75(11) . . ?
Ag2 Ag7 Ag6 59.00(11) . . ?
Ag2 Ag7 Ag8 54.68(10) . . ?
Ag2 Ag7 Ag9 63.82(11) . . ?
Ag2 Ag7 Ag16 54.57(9) . . ?
Ag5 Ag7 Ag6 60.13(10) . . ?
Ag5 Ag7 Ag8 62.13(9) . . ?
Ag5 Ag7 Ag9 114.43(14) . . ?
Ag5 Ag7 Ag16 106.53(14) . . ?
Ag6 Ag7 Ag8 107.08(14) . . ?
Ag6 Ag7 Ag9 112.00(15) . . ?
Ag6 Ag7 Ag16 61.76(10) . . ?
Ag8 Ag7 Ag16 98.56(12) . . ?
Ag9 Ag7 Ag8 60.24(9) . . ?
Ag9 Ag7 Ag16 56.38(9) . . ?
S33 Ag7 Ag2 166.8(3) . . ?
S33 Ag7 Ag5 129.5(3) . . ?
S33 Ag7 Ag6 132.9(3) . . ?
S33 Ag7 Ag8 117.3(3) . . ?
S33 Ag7 Ag9 103.4(3) . . ?
S33 Ag7 Ag16 122.3(3) . . ?
Ag1 Ag8 Ag5 99.65(12) . . ?
Ag1 Ag8 Ag7 116.87(12) . . ?
Ag2 Ag8 Ag1 60.17(10) . . ?
Ag2 Ag8 Ag5 57.45(9) . . ?
Ag2 Ag8 Ag7 58.10(10) . . ?
Ag2 Ag8 Ag9 64.10(9) . . ?
Ag2 Ag8 Ag10 115.47(15) . . ?
Ag2 Ag8 Ag11 91.91(12) . . ?
Ag2 Ag8 Ag13 67.14(10) . . ?
Ag7 Ag8 Ag5 55.98(9) . . ?
Ag9 Ag8 Ag1 84.63(11) . . ?
Ag9 Ag8 Ag5 107.15(10) . . ?
Ag9 Ag8 Ag7 58.00(9) . . ?
Ag9 Ag8 Ag11 59.38(9) . . ?
Ag10 Ag8 Ag1 57.05(10) . . ?
Ag10 Ag8 Ag5 121.02(12) . . ?
Ag10 Ag8 Ag7 173.55(16) . . ?
Ag10 Ag8 Ag9 120.99(12) . . ?
Ag10 Ag8 Ag11 61.72(9) . . ?
Ag11 Ag8 Ag1 53.20(10) . . ?
Ag11 Ag8 Ag5 148.28(14) . . ?
Ag11 Ag8 Ag7 117.29(10) . . ?
Ag13 Ag8 Ag1 54.17(10) . . ?
Ag13 Ag8 Ag5 58.26(10) . . ?
Ag13 Ag8 Ag7 109.35(11) . . ?
Ag13 Ag8 Ag9 127.45(14) . . ?
Ag13 Ag8 Ag10 65.74(10) . . ?
Ag13 Ag8 Ag11 104.91(14) . . ?
S32 Ag8 Ag1 151.9(3) . . ?
S32 Ag8 Ag2 142.9(3) . . ?
S32 Ag8 Ag5 107.5(3) . . ?
S32 Ag8 Ag7 85.1(3) . . ?
S32 Ag8 Ag9 93.9(2) . . ?
S32 Ag8 Ag10 101.4(3) . . ?
S32 Ag8 Ag11 102.2(3) . . ?
S32 Ag8 Ag13 138.1(2) . . ?
Ag2 Ag9 Ag17 99.80(12) . . ?
Ag4 Ag9 Ag2 59.62(10) . . ?
Ag4 Ag9 Ag7 113.67(13) . . ?
Ag4 Ag9 Ag8 91.81(12) . . ?
Ag4 Ag9 Ag11 65.53(11) . . ?
Ag4 Ag9 Ag12 57.80(11) . . ?
Ag4 Ag9 Ag16 67.24(11) . . ?
Ag4 Ag9 Ag17 57.59(10) . . ?
Ag7 Ag9 Ag2 56.05(10) . . ?
Ag7 Ag9 Ag8 61.76(9) . . ?
Ag7 Ag9 Ag11 122.03(11) . . ?
Ag7 Ag9 Ag12 171.37(16) . . ?
Ag7 Ag9 Ag17 120.15(12) . . ?
Ag8 Ag9 Ag2 53.05(8) . . ?
Ag8 Ag9 Ag12 117.45(12) . . ?
Ag8 Ag9 Ag17 148.40(16) . . ?
Ag11 Ag9 Ag2 86.12(11) . . ?
Ag11 Ag9 Ag8 60.38(9) . . ?
Ag11 Ag9 Ag12 57.37(9) . . ?
Ag11 Ag9 Ag17 107.17(13) . . ?
Ag12 Ag9 Ag2 116.03(14) . . ?
Ag12 Ag9 Ag17 55.40(9) . . ?
Ag16 Ag9 Ag2 54.72(8) . . ?
Ag16 Ag9 Ag7 64.32(10) . . ?
Ag16 Ag9 Ag8 105.09(10) . . ?
Ag16 Ag9 Ag11 129.55(15) . . ?
Ag16 Ag9 Ag12 108.85(13) . . ?
Ag16 Ag9 Ag17 58.38(9) . . ?
S34 Ag9 Ag2 152.2(3) . . ?
S34 Ag9 Ag4 145.0(3) . . ?
S34 Ag9 Ag7 101.3(3) . . ?
S34 Ag9 Ag8 103.9(2) . . ?
S34 Ag9 Ag11 95.2(2) . . ?
S34 Ag9 Ag12 87.3(2) . . ?
S34 Ag9 Ag16 134.6(3) . . ?
S34 Ag9 Ag17 106.2(2) . . ?
Ag1 Ag10 Ag8 63.54(10) . . ?
Ag1 Ag10 Ag11 54.66(9) . . ?
Ag1 Ag10 Ag13 53.12(8) . . ?
Ag1 Ag10 Ag21 58.58(10) . . ?
Ag8 Ag10 Ag11 60.77(9) . . ?
Ag8 Ag10 Ag13 56.04(9) . . ?
Ag11 Ag10 Ag13 97.74(9) . . ?
Ag20 Ag10 Ag1 59.22(10) . . ?
Ag20 Ag10 Ag8 115.14(11) . . ?
Ag20 Ag10 Ag11 62.63(10) . . ?
Ag20 Ag10 Ag13 105.19(13) . . ?
Ag20 Ag10 Ag21 60.11(11) . . ?
Ag21 Ag10 Ag8 110.84(12) . . ?
Ag21 Ag10 Ag11 106.81(13) . . ?
Ag21 Ag10 Ag13 60.18(10) . . ?
S30 Ag10 Ag1 165.6(3) . . ?
S30 Ag10 Ag8 102.4(3) . . ?
S30 Ag10 Ag11 116.7(3) . . ?
S30 Ag10 Ag13 123.3(3) . . ?
S30 Ag10 Ag20 130.0(3) . . ?
S30 Ag10 Ag21 134.2(3) . . ?
Ag1 Ag11 Ag4 59.22(9) . . ?
Ag1 Ag11 Ag8 63.70(10) . . ?
Ag1 Ag11 Ag9 91.09(11) . . ?
Ag1 Ag11 Ag10 58.88(9) . . ?
Ag1 Ag11 Ag12 112.43(13) . . ?
Ag1 Ag11 Ag19 66.29(11) . . ?
Ag1 Ag11 Ag20 57.82(10) . . ?
Ag8 Ag11 Ag4 84.51(10) . . ?
Ag8 Ag11 Ag10 57.51(9) . . ?
Ag8 Ag11 Ag20 106.08(10) . . ?
Ag9 Ag11 Ag4 52.60(10) . . ?
Ag9 Ag11 Ag8 60.24(9) . . ?
Ag9 Ag11 Ag10 117.65(11) . . ?
Ag9 Ag11 Ag20 147.95(13) . . ?
Ag10 Ag11 Ag4 116.72(11) . . ?
Ag10 Ag11 Ag20 55.41(9) . . ?
Ag12 Ag11 Ag4 55.35(9) . . ?
Ag12 Ag11 Ag8 121.87(12) . . ?
Ag12 Ag11 Ag9 61.96(10) . . ?
Ag12 Ag11 Ag10 171.13(16) . . ?
Ag12 Ag11 Ag20 119.60(14) . . ?
Ag19 Ag11 Ag4 53.93(10) . . ?
Ag19 Ag11 Ag8 126.61(13) . . ?
Ag19 Ag11 Ag9 104.10(12) . . ?
Ag19 Ag11 Ag10 109.08(13) . . ?
Ag19 Ag11 Ag12 63.58(11) . . ?
Ag19 Ag11 Ag20 58.72(10) . . ?
Ag20 Ag11 Ag4 99.90(13) . . ?
S31 Ag11 Ag1 147.3(2) . . ?
S31 Ag11 Ag4 150.2(2) . . ?
S31 Ag11 Ag8 97.7(2) . . ?
S31 Ag11 Ag9 102.9(2) . . ?
S31 Ag11 Ag10 88.5(2) . . ?
S31 Ag11 Ag12 100.2(2) . . ?
S31 Ag11 Ag19 135.3(2) . . ?
S31 Ag11 Ag20 107.8(2) . . ?
Ag4 Ag12 Ag9 55.07(11) . . ?
Ag4 Ag12 Ag11 65.95(10) . . ?
Ag4 Ag12 Ag17 59.97(10) . . ?
Ag4 Ag12 Ag18 60.72(11) . . ?
Ag4 Ag12 Ag19 55.25(10) . . ?
Ag11 Ag12 Ag9 60.68(9) . . ?
Ag11 Ag12 Ag19 57.53(11) . . ?
Ag17 Ag12 Ag9 63.63(10) . . ?
Ag17 Ag12 Ag11 117.40(12) . . ?
Ag17 Ag12 Ag18 60.63(12) . . ?
Ag17 Ag12 Ag19 108.06(14) . . ?
Ag18 Ag12 Ag9 109.12(13) . . ?
Ag18 Ag12 Ag11 115.27(14) . . ?
Ag18 Ag12 Ag19 62.95(11) . . ?
Ag19 Ag12 Ag9 99.12(11) . . ?
S35 Ag12 Ag4 167.0(3) . . ?
S35 Ag12 Ag9 114.9(3) . . ?
S35 Ag12 Ag11 102.5(3) . . ?
S35 Ag12 Ag17 125.6(3) . . ?
S35 Ag12 Ag18 132.0(3) . . ?
S35 Ag12 Ag19 124.6(3) . . ?
Ag1 Ag13 Ag2 59.85(9) . . ?
Ag1 Ag13 Ag5 113.62(12) . . ?
Ag1 Ag13 Ag8 66.48(11) . . ?
Ag1 Ag13 Ag10 57.99(9) . . ?
Ag1 Ag13 Ag14 91.49(11) . . ?
Ag1 Ag13 Ag21 58.56(10) . . ?
Ag1 Ag13 Ag22 65.78(11) . . ?
Ag2 Ag13 Ag10 100.17(10) . . ?
Ag5 Ag13 Ag2 55.78(9) . . ?
Ag5 Ag13 Ag10 119.96(14) . . ?
Ag5 Ag13 Ag14 61.54(11) . . ?
Ag5 Ag13 Ag21 172.12(12) . . ?
Ag5 Ag13 Ag22 121.38(12) . . ?
Ag8 Ag13 Ag2 54.25(9) . . ?
Ag8 Ag13 Ag5 64.66(11) . . ?
Ag8 Ag13 Ag10 58.22(9) . . ?
Ag8 Ag13 Ag14 104.34(11) . . ?
Ag8 Ag13 Ag21 109.13(11) . . ?
Ag8 Ag13 Ag22 128.77(12) . . ?
Ag14 Ag13 Ag2 52.47(8) . . ?
Ag14 Ag13 Ag10 148.35(11) . . ?
Ag21 Ag13 Ag2 116.94(11) . . ?
Ag21 Ag13 Ag10 56.12(10) . . ?
Ag21 Ag13 Ag14 117.55(14) . . ?
Ag22 Ag13 Ag2 85.87(11) . . ?
Ag22 Ag13 Ag10 108.10(12) . . ?
Ag22 Ag13 Ag14 59.92(11) . . ?
Ag22 Ag13 Ag21 57.90(10) . . ?
S23 Ag13 Ag1 148.7(3) . . ?
S23 Ag13 Ag2 147.6(3) . . ?
S23 Ag13 Ag5 97.4(3) . . ?
S23 Ag13 Ag8 135.5(4) . . ?
S23 Ag13 Ag10 110.0(3) . . ?
S23 Ag13 Ag14 100.7(3) . . ?
S23 Ag13 Ag21 90.4(3) . . ?
S23 Ag13 Ag22 95.6(3) . . ?
Ag2 Ag14 Ag3 60.66(11) . . ?
Ag2 Ag14 Ag5 57.61(10) . . ?
Ag2 Ag14 Ag6 57.56(10) . . ?
Ag2 Ag14 Ag13 63.90(9) . . ?
Ag2 Ag14 Ag15 65.92(10) . . ?
Ag2 Ag14 Ag22 92.12(11) . . ?
Ag2 Ag14 Ag23 114.60(13) . . ?
Ag3 Ag14 Ag6 101.61(11) . . ?
Ag3 Ag14 Ag13 83.89(10) . . ?
Ag5 Ag14 Ag3 116.23(12) . . ?
Ag5 Ag14 Ag6 56.16(10) . . ?
Ag5 Ag14 Ag13 56.29(10) . . ?
Ag13 Ag14 Ag6 106.24(13) . . ?
Ag15 Ag14 Ag3 55.11(9) . . ?
Ag15 Ag14 Ag5 108.92(13) . . ?
Ag15 Ag14 Ag6 58.66(10) . . ?
Ag15 Ag14 Ag13 126.27(12) . . ?
Ag15 Ag14 Ag22 105.66(13) . . ?
Ag15 Ag14 Ag23 66.57(12) . . ?
Ag22 Ag14 Ag3 52.59(9) . . ?
Ag22 Ag14 Ag5 115.42(12) . . ?
Ag22 Ag14 Ag6 149.02(12) . . ?
Ag22 Ag14 Ag13 59.19(10) . . ?
Ag23 Ag14 Ag3 55.89(10) . . ?
Ag23 Ag14 Ag5 172.08(13) . . ?
Ag23 Ag14 Ag6 122.26(12) . . ?
Ag23 Ag14 Ag13 120.37(14) . . ?
Ag23 Ag14 Ag22 61.39(11) . . ?
S25 Ag14 Ag2 145.1(4) . . ?
S25 Ag14 Ag3 150.0(4) . . ?
S25 Ag14 Ag5 87.6(4) . . ?
S25 Ag14 Ag6 107.0(3) . . ?
S25 Ag14 Ag13 96.3(3) . . ?
S25 Ag14 Ag15 136.9(3) . . ?
S25 Ag14 Ag22 102.0(3) . . ?
S25 Ag14 Ag23 100.1(4) . . ?
Ag2 Ag15 Ag23 99.86(11) . . ?
Ag2 Ag15 Ag24 116.76(12) . . ?
Ag3 Ag15 Ag2 60.67(10) . . ?
Ag3 Ag15 Ag6 114.30(12) . . ?
Ag3 Ag15 Ag14 66.06(10) . . ?
Ag3 Ag15 Ag16 93.90(12) . . ?
Ag3 Ag15 Ag23 56.04(10) . . ?
Ag3 Ag15 Ag24 57.56(11) . . ?
Ag3 Ag15 Ag25 66.08(10) . . ?
Ag6 Ag15 Ag2 56.26(10) . . ?
Ag6 Ag15 Ag16 62.18(10) . . ?
Ag6 Ag15 Ag23 119.47(12) . . ?
Ag6 Ag15 Ag24 171.33(12) . . ?
Ag6 Ag15 Ag25 123.27(14) . . ?
Ag14 Ag15 Ag2 54.78(9) . . ?
Ag14 Ag15 Ag6 64.40(11) . . ?
Ag14 Ag15 Ag16 105.43(13) . . ?
Ag14 Ag15 Ag23 57.88(11) . . ?
Ag14 Ag15 Ag24 107.71(13) . . ?
Ag14 Ag15 Ag25 128.82(12) . . ?
Ag16 Ag15 Ag2 53.29(9) . . ?
Ag16 Ag15 Ag23 148.90(12) . . ?
Ag16 Ag15 Ag24 119.07(12) . . ?
Ag24 Ag15 Ag23 54.48(10) . . ?
Ag25 Ag15 Ag2 86.24(10) . . ?
Ag25 Ag15 Ag16 61.26(10) . . ?
Ag25 Ag15 Ag23 106.57(13) . . ?
Ag25 Ag15 Ag24 58.02(11) . . ?
S6 Ag15 Ag2 146.0(3) . . ?
S6 Ag15 Ag3 149.4(3) . . ?
S6 Ag15 Ag6 96.1(2) . . ?
S6 Ag15 Ag14 135.6(2) . . ?
S6 Ag15 Ag16 98.1(3) . . ?
S6 Ag15 Ag23 112.0(3) . . ?
S6 Ag15 Ag24 92.2(2) . . ?
S6 Ag15 Ag25 95.5(2) . . ?
Ag2 Ag16 Ag4 59.06(9) . . ?
Ag2 Ag16 Ag6 57.64(9) . . ?
Ag2 Ag16 Ag7 57.66(10) . . ?
Ag2 Ag16 Ag9 66.31(10) . . ?
Ag2 Ag16 Ag15 63.52(10) . . ?
Ag2 Ag16 Ag17 113.32(12) . . ?
Ag2 Ag16 Ag25 90.83(12) . . ?
Ag4 Ag16 Ag7 100.08(10) . . ?
Ag4 Ag16 Ag25 52.09(9) . . ?
Ag6 Ag16 Ag4 115.00(11) . . ?
Ag6 Ag16 Ag7 55.77(9) . . ?
Ag6 Ag16 Ag25 116.16(13) . . ?
Ag9 Ag16 Ag4 53.90(10) . . ?
Ag9 Ag16 Ag6 109.25(11) . . ?
Ag9 Ag16 Ag7 59.30(10) . . ?
Ag9 Ag16 Ag15 125.88(12) . . ?
Ag9 Ag16 Ag17 65.08(10) . . ?
Ag9 Ag16 Ag25 103.48(12) . . ?
Ag15 Ag16 Ag4 83.07(11) . . ?
Ag15 Ag16 Ag6 57.09(10) . . ?
Ag15 Ag16 Ag7 106.37(11) . . ?
Ag15 Ag16 Ag25 59.21(10) . . ?
Ag17 Ag16 Ag4 56.01(9) . . ?
Ag17 Ag16 Ag6 170.90(13) . . ?
Ag17 Ag16 Ag7 121.74(13) . . ?
Ag17 Ag16 Ag15 119.52(15) . . ?
Ag17 Ag16 Ag25 60.52(11) . . ?
Ag25 Ag16 Ag7 147.58(12) . . ?
S7 Ag16 Ag2 148.1(2) . . ?
S7 Ag16 Ag4 146.9(3) . . ?
S7 Ag16 Ag6 91.0(2) . . ?
S7 Ag16 Ag7 111.8(3) . . ?
S7 Ag16 Ag9 138.2(3) . . ?
S7 Ag16 Ag15 95.9(3) . . ?
S7 Ag16 Ag17 97.9(2) . . ?
S7 Ag16 Ag25 99.1(3) . . ?
Ag4 Ag17 Ag9 53.90(10) . . ?
Ag4 Ag17 Ag12 58.78(10) . . ?
Ag4 Ag17 Ag16 64.89(10) . . ?
Ag4 Ag17 Ag18 60.04(11) . . ?
Ag4 Ag17 Ag25 55.00(10) . . ?
Ag12 Ag17 Ag9 60.96(10) . . ?
Ag12 Ag17 Ag16 112.22(11) . . ?
Ag12 Ag17 Ag18 59.81(12) . . ?
Ag12 Ag17 Ag25 106.71(13) . . ?
Ag16 Ag17 Ag9 56.53(9) . . ?
Ag16 Ag17 Ag25 62.46(10) . . ?
Ag18 Ag17 Ag9 106.49(12) . . ?
Ag18 Ag17 Ag16 117.27(14) . . ?
Ag18 Ag17 Ag25 62.61(12) . . ?
Ag25 Ag17 Ag9 99.07(11) . . ?
S8 Ag17 Ag4 161.5(3) . . ?
S8 Ag17 Ag9 117.9(3) . . ?
S8 Ag17 Ag12 135.4(3) . . ?
S8 Ag17 Ag16 96.6(3) . . ?
S8 Ag17 Ag18 134.4(3) . . ?
S8 Ag17 Ag25 116.8(3) . . ?
Ag4 Ag18 Ag12 58.31(11) . . ?
Ag4 Ag18 Ag17 58.83(10) . . ?
Ag4 Ag18 Ag19 54.06(9) . . ?
Ag4 Ag18 Ag25 54.16(9) . . ?
Ag4 Ag18 Ag28 63.68(11) . . ?
Ag12 Ag18 Ag17 59.57(12) . . ?
Ag12 Ag18 Ag19 61.13(11) . . ?
Ag12 Ag18 Ag25 105.30(13) . . ?
Ag12 Ag18 Ag28 114.07(12) . . ?
Ag17 Ag18 Ag19 105.90(13) . . ?
Ag17 Ag18 Ag25 60.96(11) . . ?
Ag17 Ag18 Ag28 111.83(13) . . ?
Ag25 Ag18 Ag19 98.59(10) . . ?
Ag28 Ag18 Ag19 60.89(10) . . ?
Ag28 Ag18 Ag25 56.97(10) . . ?
S12 Ag18 Ag4 165.2(4) . . ?
S12 Ag18 Ag12 131.7(4) . . ?
S12 Ag18 Ag17 134.0(3) . . ?
S12 Ag18 Ag19 117.8(3) . . ?
S12 Ag18 Ag25 121.5(4) . . ?
S12 Ag18 Ag28 101.7(4) . . ?
Ag1 Ag19 Ag18 117.22(11) . . ?
Ag1 Ag19 Ag26 52.50(10) . . ?
Ag4 Ag19 Ag1 59.96(9) . . ?
Ag4 Ag19 Ag11 67.59(12) . . ?
Ag4 Ag19 Ag12 57.84(11) . . ?
Ag4 Ag19 Ag18 58.76(10) . . ?
Ag4 Ag19 Ag20 114.35(13) . . ?
Ag4 Ag19 Ag26 91.25(12) . . ?
Ag4 Ag19 Ag28 63.65(12) . . ?
Ag11 Ag19 Ag1 54.74(9) . . ?
Ag11 Ag19 Ag12 58.90(11) . . ?
Ag11 Ag19 Ag18 110.11(14) . . ?
Ag11 Ag19 Ag20 64.44(11) . . ?
Ag11 Ag19 Ag26 104.71(12) . . ?
Ag11 Ag19 Ag28 127.98(13) . . ?
Ag12 Ag19 Ag1 100.36(13) . . ?
Ag12 Ag19 Ag18 55.92(11) . . ?
Ag12 Ag19 Ag26 148.13(13) . . ?
Ag12 Ag19 Ag28 105.95(12) . . ?
Ag20 Ag19 Ag1 56.37(8) . . ?
Ag20 Ag19 Ag12 120.59(15) . . ?
Ag20 Ag19 Ag18 173.04(15) . . ?
Ag20 Ag19 Ag26 62.10(10) . . ?
Ag20 Ag19 Ag28 122.40(13) . . ?
Ag26 Ag19 Ag18 117.13(13) . . ?
Ag28 Ag19 Ag1 85.10(11) . . ?
Ag28 Ag19 Ag18 56.76(10) . . ?
Ag28 Ag19 Ag26 60.46(10) . . ?
S14 Ag19 Ag1 146.9(3) . . ?
S14 Ag19 Ag4 148.4(3) . . ?
S14 Ag19 Ag11 135.7(3) . . ?
S14 Ag19 Ag12 110.9(3) . . ?
S14 Ag19 Ag18 90.0(3) . . ?
S14 Ag19 Ag20 96.9(3) . . ?
S14 Ag19 Ag26 99.7(3) . . ?
S14 Ag19 Ag28 96.2(3) . . ?
Ag1 Ag20 Ag10 60.45(10) . . ?
Ag1 Ag20 Ag11 54.75(9) . . ?
Ag1 Ag20 Ag19 64.25(9) . . ?
Ag1 Ag20 Ag21 59.24(9) . . ?
Ag1 Ag20 Ag26 54.28(10) . . ?
Ag10 Ag20 Ag11 61.96(10) . . ?
Ag10 Ag20 Ag19 113.31(13) . . ?
Ag10 Ag20 Ag21 60.93(11) . . ?
Ag10 Ag20 Ag26 107.68(11) . . ?
Ag11 Ag20 Ag26 99.06(11) . . ?
Ag19 Ag20 Ag11 56.84(10) . . ?
Ag19 Ag20 Ag26 61.32(10) . . ?
Ag21 Ag20 Ag11 106.92(12) . . ?
Ag21 Ag20 Ag19 115.32(12) . . ?
Ag21 Ag20 Ag26 61.46(10) . . ?
S16 Ag20 Ag1 164.2(3) . . ?
S16 Ag20 Ag10 133.9(3) . . ?
S16 Ag20 Ag11 121.9(3) . . ?
S16 Ag20 Ag19 100.5(3) . . ?
S16 Ag20 Ag21 130.1(3) . . ?
S16 Ag20 Ag26 115.8(3) . . ?
Ag1 Ag21 Ag10 59.75(10) . . ?
Ag1 Ag21 Ag13 54.57(9) . . ?
Ag1 Ag21 Ag20 59.22(9) . . ?
Ag1 Ag21 Ag22 65.56(10) . . ?
Ag1 Ag21 Ag26 54.61(10) . . ?
Ag10 Ag21 Ag13 63.69(11) . . ?
Ag10 Ag21 Ag22 117.34(13) . . ?
Ag10 Ag21 Ag26 106.99(11) . . ?
Ag13 Ag21 Ag26 98.35(11) . . ?
Ag20 Ag21 Ag10 58.96(10) . . ?
Ag20 Ag21 Ag13 106.98(12) . . ?
Ag20 Ag21 Ag22 113.99(11) . . ?
Ag20 Ag21 Ag26 62.50(10) . . ?
Ag22 Ag21 Ag13 60.81(11) . . ?
Ag22 Ag21 Ag26 57.14(9) . . ?
S21 Ag21 Ag1 166.6(2) . . ?
S21 Ag21 Ag10 129.3(3) . . ?
S21 Ag21 Ag13 117.7(3) . . ?
S21 Ag21 Ag20 132.7(3) . . ?
S21 Ag21 Ag22 101.3(2) . . ?
S21 Ag21 Ag26 121.6(3) . . ?
Ag3 Ag22 Ag1 59.15(10) . . ?
Ag3 Ag22 Ag13 91.27(13) . . ?
Ag3 Ag22 Ag14 63.97(10) . . ?
Ag3 Ag22 Ag21 112.33(12) . . ?
Ag3 Ag22 Ag23 58.09(10) . . ?
Ag3 Ag22 Ag26 65.66(10) . . ?
Ag3 Ag22 Ag27 56.51(11) . . ?
Ag13 Ag22 Ag1 51.97(9) . . ?
Ag13 Ag22 Ag14 60.89(11) . . ?
Ag13 Ag22 Ag23 118.32(14) . . ?
Ag13 Ag22 Ag27 146.63(13) . . ?
Ag14 Ag22 Ag1 84.40(12) . . ?
Ag14 Ag22 Ag23 57.64(11) . . ?
Ag14 Ag22 Ag27 105.49(12) . . ?
Ag21 Ag22 Ag1 55.43(9) . . ?
Ag21 Ag22 Ag13 61.29(10) . . ?
Ag21 Ag22 Ag14 121.89(15) . . ?
Ag21 Ag22 Ag23 170.20(12) . . ?
Ag21 Ag22 Ag27 119.43(13) . . ?
Ag23 Ag22 Ag1 115.86(12) . . ?
Ag23 Ag22 Ag27 54.76(10) . . ?
Ag26 Ag22 Ag1 53.51(10) . . ?
Ag26 Ag22 Ag13 102.98(13) . . ?
Ag26 Ag22 Ag14 126.10(13) . . ?
Ag26 Ag22 Ag21 63.53(10) . . ?
Ag26 Ag22 Ag23 108.19(12) . . ?
Ag26 Ag22 Ag27 58.41(10) . . ?
Ag27 Ag22 Ag1 98.91(11) . . ?
S22 Ag22 Ag1 149.6(3) . . ?
S22 Ag22 Ag3 147.0(3) . . ?
S22 Ag22 Ag13 102.0(3) . . ?
S22 Ag22 Ag14 96.2(3) . . ?
S22 Ag22 Ag21 100.5(2) . . ?
S22 Ag22 Ag23 89.2(3) . . ?
S22 Ag22 Ag26 137.4(3) . . ?
S22 Ag22 Ag27 110.1(3) . . ?
Ag3 Ag23 Ag14 64.17(11) . . ?
Ag3 Ag23 Ag15 54.02(10) . . ?
Ag3 Ag23 Ag22 54.66(9) . . ?
Ag3 Ag23 Ag24 59.20(10) . . ?
Ag3 Ag23 Ag27 58.78(12) . . ?
Ag14 Ag23 Ag15 55.54(10) . . ?
Ag14 Ag23 Ag22 60.97(11) . . ?
Ag22 Ag23 Ag15 97.90(13) . . ?
Ag24 Ag23 Ag14 110.86(15) . . ?
Ag24 Ag23 Ag15 60.26(11) . . ?
Ag24 Ag23 Ag22 108.10(12) . . ?
Ag27 Ag23 Ag14 115.84(14) . . ?
Ag27 Ag23 Ag15 105.57(13) . . ?
Ag27 Ag23 Ag22 63.43(11) . . ?
Ag27 Ag23 Ag24 60.67(11) . . ?
S24 Ag23 Ag3 164.0(3) . . ?
S24 Ag23 Ag14 99.9(3) . . ?
S24 Ag23 Ag15 119.4(3) . . ?
S24 Ag23 Ag22 117.6(2) . . ?
S24 Ag23 Ag24 133.2(3) . . ?
S24 Ag23 Ag27 133.5(3) . . ?
Ag3 Ag24 Ag15 55.81(11) . . ?
Ag3 Ag24 Ag23 59.65(11) . . ?
Ag3 Ag24 Ag25 66.54(11) . . ?
Ag3 Ag24 Ag27 58.46(12) . . ?
Ag3 Ag24 Ag28 54.25(10) . . ?
Ag15 Ag24 Ag28 97.98(13) . . ?
Ag23 Ag24 Ag15 65.26(12) . . ?
Ag23 Ag24 Ag25 118.27(16) . . ?
Ag23 Ag24 Ag27 59.28(11) . . ?
Ag23 Ag24 Ag28 106.91(12) . . ?
Ag25 Ag24 Ag15 60.57(11) . . ?
Ag25 Ag24 Ag28 56.61(10) . . ?
Ag27 Ag24 Ag15 108.28(13) . . ?
Ag27 Ag24 Ag25 113.59(13) . . ?
Ag27 Ag24 Ag28 62.06(11) . . ?
S5 Ag24 Ag3 165.3(4) . . ?
S5 Ag24 Ag15 114.8(3) . . ?
S5 Ag24 Ag23 129.6(3) . . ?
S5 Ag24 Ag25 99.3(4) . . ?
S5 Ag24 Ag27 134.8(4) . . ?
S5 Ag24 Ag28 122.1(3) . . ?
Ag4 Ag25 Ag3 59.01(9) . . ?
Ag4 Ag25 Ag15 89.88(11) . . ?
Ag4 Ag25 Ag16 63.86(11) . . ?
Ag4 Ag25 Ag17 58.58(10) . . ?
Ag4 Ag25 Ag18 58.77(10) . . ?
Ag4 Ag25 Ag24 111.97(12) . . ?
Ag4 Ag25 Ag28 66.17(12) . . ?
Ag15 Ag25 Ag3 52.74(8) . . ?
Ag15 Ag25 Ag16 59.52(10) . . ?
Ag15 Ag25 Ag17 116.34(14) . . ?
Ag15 Ag25 Ag18 147.60(12) . . ?
Ag16 Ag25 Ag3 85.29(10) . . ?
Ag17 Ag25 Ag3 116.31(12) . . ?
Ag17 Ag25 Ag16 57.02(10) . . ?
Ag17 Ag25 Ag18 56.43(11) . . ?
Ag18 Ag25 Ag3 99.56(10) . . ?
Ag18 Ag25 Ag16 107.13(13) . . ?
Ag24 Ag25 Ag3 54.57(10) . . ?
Ag24 Ag25 Ag15 61.41(11) . . ?
Ag24 Ag25 Ag16 120.71(12) . . ?
Ag24 Ag25 Ag17 170.55(12) . . ?
Ag24 Ag25 Ag18 119.83(15) . . ?
Ag28 Ag25 Ag3 52.92(9) . . ?
Ag28 Ag25 Ag15 103.58(12) . . ?
Ag28 Ag25 Ag16 126.63(12) . . ?
Ag28 Ag25 Ag17 109.17(13) . . ?
Ag28 Ag25 Ag18 58.54(11) . . ?
Ag28 Ag25 Ag24 64.05(12) . . ?
S4 Ag25 Ag3 151.2(3) . . ?
S4 Ag25 Ag4 147.4(3) . . ?
S4 Ag25 Ag15 104.9(2) . . ?
S4 Ag25 Ag16 98.5(3) . . ?
S4 Ag25 Ag17 88.8(3) . . ?
S4 Ag25 Ag18 106.4(3) . . ?
S4 Ag25 Ag24 100.6(3) . . ?
S4 Ag25 Ag28 134.4(3) . . ?
Ag1 Ag26 Ag3 60.46(11) . . ?
Ag1 Ag26 Ag19 63.50(11) . . ?
Ag1 Ag26 Ag20 57.84(10) . . ?
Ag1 Ag26 Ag21 58.26(10) . . ?
Ag1 Ag26 Ag22 68.00(11) . . ?
Ag1 Ag26 Ag27 114.38(13) . . ?
Ag1 Ag26 Ag28 90.71(13) . . ?
Ag3 Ag26 Ag19 85.00(11) . . ?
Ag3 Ag26 Ag20 116.76(15) . . ?
Ag3 Ag26 Ag21 100.92(12) . . ?
Ag3 Ag26 Ag28 52.43(9) . . ?
Ag19 Ag26 Ag20 56.58(9) . . ?
Ag19 Ag26 Ag28 59.39(10) . . ?
Ag21 Ag26 Ag19 106.41(14) . . ?
Ag21 Ag26 Ag20 56.04(9) . . ?
Ag21 Ag26 Ag28 148.12(16) . . ?
Ag22 Ag26 Ag3 54.63(9) . . ?
Ag22 Ag26 Ag19 127.98(16) . . ?
Ag22 Ag26 Ag20 110.15(13) . . ?
Ag22 Ag26 Ag21 59.33(9) . . ?
Ag22 Ag26 Ag27 64.89(11) . . ?
Ag22 Ag26 Ag28 104.79(11) . . ?
Ag27 Ag26 Ag3 55.59(11) . . ?
Ag27 Ag26 Ag19 120.92(12) . . ?
Ag27 Ag26 Ag20 172.21(16) . . ?
Ag27 Ag26 Ag21 121.59(12) . . ?
Ag27 Ag26 Ag28 61.67(11) . . ?
Ag28 Ag26 Ag20 115.83(13) . . ?
S15 Ag26 Ag1 149.7(3) . . ?
S15 Ag26 Ag3 146.0(3) . . ?
S15 Ag26 Ag19 98.0(3) . . ?
S15 Ag26 Ag20 92.1(3) . . ?
S15 Ag26 Ag21 110.5(3) . . ?
S15 Ag26 Ag22 134.0(3) . . ?
S15 Ag26 Ag27 95.6(3) . . ?
S15 Ag26 Ag28 100.2(2) . . ?
Ag3 Ag27 Ag22 54.47(10) . . ?
Ag3 Ag27 Ag23 60.26(12) . . ?
Ag3 Ag27 Ag24 59.47(12) . . ?
Ag3 Ag27 Ag26 64.09(12) . . ?
Ag3 Ag27 Ag28 54.55(11) . . ?
Ag23 Ag27 Ag22 61.81(11) . . ?
Ag23 Ag27 Ag24 60.06(11) . . ?
Ag23 Ag27 Ag26 113.03(16) . . ?
Ag23 Ag27 Ag28 107.61(15) . . ?
Ag24 Ag27 Ag22 106.44(15) . . ?
Ag24 Ag27 Ag26 115.87(16) . . ?
Ag24 Ag27 Ag28 62.22(11) . . ?
Ag26 Ag27 Ag22 56.70(10) . . ?
Ag26 Ag27 Ag28 61.58(10) . . ?
Ag28 Ag27 Ag22 99.20(14) . . ?
S17 Ag27 Ag3 166.0(4) . . ?
S17 Ag27 Ag22 121.5(4) . . ?
S17 Ag27 Ag23 131.9(4) . . ?
S17 Ag27 Ag24 130.1(4) . . ?
S17 Ag27 Ag26 102.2(4) . . ?
S17 Ag27 Ag28 117.8(4) . . ?
Ag3 Ag28 Ag4 60.72(12) . . ?
Ag3 Ag28 Ag18 116.32(17) . . ?
Ag3 Ag28 Ag19 91.48(13) . . ?
Ag3 Ag28 Ag24 57.65(11) . . ?
Ag3 Ag28 Ag25 69.21(12) . . ?
Ag3 Ag28 Ag26 62.88(10) . . ?
Ag3 Ag28 Ag27 57.03(12) . . ?
Ag4 Ag28 Ag24 100.00(13) . . ?
Ag4 Ag28 Ag26 84.99(12) . . ?
Ag4 Ag28 Ag27 116.43(13) . . ?
Ag18 Ag28 Ag4 57.34(11) . . ?
Ag18 Ag28 Ag19 62.35(11) . . ?
Ag18 Ag28 Ag24 121.02(13) . . ?
Ag18 Ag28 Ag26 122.39(15) . . ?
Ag18 Ag28 Ag27 173.29(17) . . ?
Ag19 Ag28 Ag4 52.84(10) . . ?
Ag19 Ag28 Ag24 148.03(15) . . ?
Ag19 Ag28 Ag26 60.15(10) . . ?
Ag19 Ag28 Ag27 116.78(12) . . ?
Ag25 Ag28 Ag4 54.54(11) . . ?
Ag25 Ag28 Ag18 64.50(11) . . ?
Ag25 Ag28 Ag19 104.63(15) . . ?
Ag25 Ag28 Ag24 59.35(11) . . ?
Ag25 Ag28 Ag26 128.38(15) . . ?
Ag25 Ag28 Ag27 110.31(13) . . ?
Ag26 Ag28 Ag24 106.01(12) . . ?
Ag26 Ag28 Ag27 56.75(10) . . ?
Ag27 Ag28 Ag24 55.72(10) . . ?
S13 Ag28 Ag3 147.2(3) . . ?
S13 Ag28 Ag4 147.8(3) . . ?
S13 Ag28 Ag18 96.2(3) . . ?
S13 Ag28 Ag19 100.4(3) . . ?
S13 Ag28 Ag24 110.2(3) . . ?
S13 Ag28 Ag25 134.6(3) . . ?
S13 Ag28 Ag26 96.9(3) . . ?
S13 Ag28 Ag27 90.5(3) . . ?
S18 Ag29 S19 133.4(5) . . ?
S18 Ag29 S20 115.3(5) . . ?
S19 Ag29 S20 111.0(4) . . ?
S9 Ag30 Cd6 121.0(3) . . ?
S10 Ag30 Cd6 103.9(4) . . ?
S10 Ag30 S9 114.8(5) . . ?
S11 Ag30 Cd6 48.0(4) . . ?
S11 Ag30 S9 121.4(5) . . ?
S11 Ag30 S10 123.7(5) . . ?
S27 Ag31 Cd8 47.4(4) . . ?
S27 Ag31 S29 114.5(5) . . ?
S28 Ag31 Cd8 121.7(4) . . ?
S28 Ag31 S27 127.8(5) . . ?
S28 Ag31 S29 117.6(6) . . ?
S29 Ag31 Cd8 102.4(4) . . ?
S1 Ag32 S2 111.8(5) . . ?
S1 Ag32 S3 128.3(5) . . ?
S3 Ag32 S2 119.9(4) . . ?
Ag32 S1 Cd3 87.1(4) . . ?
C0CA S1 Cd3 104.5(16) . . ?
C0CA S1 Ag32 106.3(12) . . ?
Cd1 S01K Ag6 97.3(4) . . ?
C7AA S01K Cd1 110.7(12) . . ?
C7AA S01K Ag6 109.6(16) . . ?
Cd2 S2 Ag32 93.8(4) . . ?
C9AA S2 Cd2 108.2(13) . . ?
C9AA S2 Ag32 93.7(14) . . ?
Ag32 S3 Cd1 89.6(4) . . ?
C68 S3 Cd1 114(2) . . ?
C68 S3 Ag32 103.6(19) . . ?
Cd3 S4 Cd2 114.8(4) . . ?
Ag25 S4 Cd2 100.9(4) . . ?
Ag25 S4 Cd3 110.3(4) . . ?
C6 S4 Cd2 109.5(17) . . ?
C6 S4 Cd3 108.8(14) . . ?
C6 S4 Ag25 112.6(12) . . ?
Cd2 S5 Ag24 97.6(4) . . ?
C9CA S5 Cd2 107(2) . . ?
C9CA S5 Ag24 111.1(14) . . ?
Cd1 S6 Cd2 121.5(4) . . ?
Ag15 S6 Cd1 107.8(4) . . ?
Ag15 S6 Cd2 108.9(3) . . ?
C5 S6 Cd1 99.6(16) . . ?
C5 S6 Cd2 110(2) . . ?
C5 S6 Ag15 107.7(18) . . ?
Cd1 S7 Cd3 120.7(4) . . ?
Ag16 S7 Cd1 110.9(3) . . ?
Ag16 S7 Cd3 104.9(4) . . ?
C56 S7 Cd1 104.8(11) . . ?
C56 S7 Cd3 105.2(9) . . ?
C56 S7 Ag16 109.9(10) . . ?
Ag17 S8 Cd3 97.8(4) . . ?
C38 S8 Cd3 108.6(16) . . ?
C38 S8 Ag17 115.6(15) . . ?
Cd4 S9 Ag30 89.8(5) . . ?
C229 S9 Cd4 114(2) . . ?
C229 S9 Ag30 100(2) . . ?
Cd5 S10 Ag30 93.9(4) . . ?
C83 S10 Cd5 116.6(13) . . ?
C83 S10 Ag30 103.1(14) . . ?
Ag30 S11 Cd6 85.6(4) . . ?
C6AA S11 Cd6 107(3) . . ?
C6AA S11 Ag30 113.5(13) . . ?
Ag18 S12 Cd5 95.4(4) . . ?
C5DA S12 Cd5 101.5(18) . . ?
C5DA S12 Ag18 115(3) . . ?
Cd5 S13 Cd4 118.7(4) . . ?
Ag28 S13 Cd4 110.4(5) . . ?
Ag28 S13 Cd5 104.8(5) . . ?
C8DA S13 Cd4 102(3) . . ?
C8DA S13 Cd5 110(2) . . ?
C8DA S13 Ag28 112(2) . . ?
Cd5 S14 Cd6 120.5(5) . . ?
Cd5 S14 Ag19 110.1(4) . . ?
Ag19 S14 Cd6 104.5(4) . . ?
C24 S14 Cd5 109.6(16) . . ?
C24 S14 Cd6 104.2(13) . . ?
C24 S14 Ag19 107.1(16) . . ?
Cd4 S15 Cd6 117.3(4) . . ?
Ag26 S15 Cd4 107.5(4) . . ?
Ag26 S15 Cd6 109.0(5) . . ?
C3BA S15 Cd4 106.6(18) . . ?
C3BA S15 Cd6 107(2) . . ?
C3BA S15 Ag26 109(2) . . ?
Cd6 S16 Ag20 96.5(4) . . ?
C94 S16 Cd6 102.2(13) . . ?
C94 S16 Ag20 102.5(15) . . ?
Ag27 S17 Cd4 98.0(5) . . ?
C142 S17 Cd4 109.0(18) . . ?
C142 S17 Ag27 108(2) . . ?
Ag29 S18 Cd12 91.4(4) . . ?
C179 S18 Cd12 110.5(11) . . ?
C179 S18 Ag29 101.7(11) . . ?
Cd11 S19 Ag29 86.4(4) . . ?
C9DA S19 Cd11 113.4(15) . . ?
C9DA S19 Ag29 96.8(17) . . ?
Cd10 S20 Ag29 91.0(4) . . ?
C4CA S20 Cd10 111.0(13) . . ?
C4CA S20 Ag29 103.4(13) . . ?
Ag21 S21 Cd12 96.1(4) . . ?
C58 S21 Cd12 103.4(11) . . ?
C58 S21 Ag21 108.0(13) . . ?
Cd11 S22 Cd12 121.4(4) . . ?
Ag22 S22 Cd11 110.7(4) . . ?
Ag22 S22 Cd12 102.0(4) . . ?
C9 S22 Cd11 106.2(18) . . ?
C9 S22 Cd12 106(2) . . ?
C9 S22 Ag22 110.8(17) . . ?
Cd10 S23 Cd12 118.1(4) . . ?
Ag13 S23 Cd10 106.2(4) . . ?
Ag13 S23 Cd12 110.4(5) . . ?
C0AA S23 Cd10 102.6(12) . . ?
C0AA S23 Cd12 106.9(15) . . ?
C0AA S23 Ag13 112.4(13) . . ?
Ag23 S24 Cd11 96.1(3) . . ?
C39 S24 Cd11 106(2) . . ?
C39 S24 Ag23 114(2) . . ?
Cd10 S25 Cd11 116.5(4) . . ?
Ag14 S25 Cd10 112.5(4) . . ?
Ag14 S25 Cd11 102.1(5) . . ?
C21 S25 Cd10 104.8(13) . . ?
C21 S25 Cd11 113.0(14) . . ?
C21 S25 Ag14 108.0(9) . . ?
Ag5 S26 Cd10 95.3(5) . . ?
C1GA S26 Cd10 123.8(14) . . ?
C1GA S26 Ag5 112.1(13) . . ?
Ag31 S27 Cd8 85.3(4) . . ?
C5BA S27 Cd8 111.1(16) . . ?
C5BA S27 Ag31 93.1(18) . . ?
Cd7 S28 Ag31 92.0(7) . . ?
C111 S28 Cd7 108.2(12) . . ?
C111 S28 Ag31 103.3(14) . . ?
Cd9 S29 Ag31 93.0(5) . . ?
C0GA S29 Cd9 106(2) . . ?
C0GA S29 Ag31 96.8(19) . . ?
Ag10 S30 Cd9 97.4(3) . . ?
C8AA S30 Cd9 108.2(13) . . ?
C8AA S30 Ag10 121.4(13) . . ?
Cd8 S31 Cd9 116.4(4) . . ?
Ag11 S31 Cd8 104.8(3) . . ?
Ag11 S31 Cd9 110.9(3) . . ?
C2AA S31 Cd8 117.3(18) . . ?
C2AA S31 Cd9 103.7(14) . . ?
C2AA S31 Ag11 103.0(19) . . ?
Cd7 S32 Cd9 117.1(4) . . ?
Cd7 S32 Ag8 112.8(4) . . ?
Ag8 S32 Cd9 100.7(4) . . ?
C20 S32 Cd7 109.5(15) . . ?
C20 S32 Cd9 111.0(18) . . ?
C20 S32 Ag8 104.8(14) . . ?
Ag7 S33 Cd7 97.3(4) . . ?
C6FA S33 Cd7 101.2(17) . . ?
C6FA S33 Ag7 115(2) . . ?
Cd7 S34 Cd8 118.2(3) . . ?
Ag9 S34 Cd7 101.9(3) . . ?
Ag9 S34 Cd8 112.8(4) . . ?
C16 S34 Cd7 105.2(14) . . ?
C16 S34 Cd8 105.0(13) . . ?
C16 S34 Ag9 113.7(14) . . ?
Cd8 S35 Ag12 98.6(4) . . ?
C93 S35 Cd8 110.1(19) . . ?
C93 S35 Ag12 109.4(15) . . ?
C13 C0AA S23 116(2) . . ?
C13 C0AA C37 113.5(17) . . ?
C37 C0AA S23 113(2) . . ?
C21 C0BA C168 116(2) . . ?
C42 C0CA S1 97(3) . . ?
C42 C0CA C294 117(2) . . ?
C294 C0CA S1 111(3) . . ?
C11 C0DA C21 107(3) . . ?
C193 C0EA C203 118(3) . . ?
C185 C0FA C101 118(2) . . ?
C116 C0GA S29 110(4) . . ?
C116 C0GA C253 120(2) . . ?
C253 C0GA S29 120(4) . . ?
C20 C1AA C96 119(3) . . ?
C9 C1BA C55 117.5(16) . . ?
C68 C1CA C146 122(3) . . ?
C4CA C1DA C2DA 108(3) . . ?
C8AA C1EA C6CA 113(3) . . ?
C238 C1FA C38 119(2) . . ?
C2GA C1GA S26 102(2) . . ?
C2GA C1GA C3GA 117(3) . . ?
C3GA C1GA S26 101(2) . . ?
C7 C2 C20 118(3) . . ?
C3AA C2AA S31 110(3) . . ?
C3AA C2AA C5AA 104(4) . . ?
C5AA C2AA S31 114(3) . . ?
C97 C2BA C164 118(2) . . ?
C286 C2CA C3CA 117.3(17) . . ?
C1DA C2DA C134 118(3) . . ?
C8AA C2EA C44 116(3) . . ?
C177 C2FA C268 115(3) . . ?
C78 C2GA C1GA 115(2) . . ?
C59 C3AA C2AA 115(4) . . ?
C5CA C3BA S15 106(4) . . ?
C5CA C3BA C102 111(3) . . ?
C102 C3BA S15 117(4) . . ?
C55 C3CA C2CA 116.8(19) . . ?
C5AA C3DA C4AA 108(4) . . ?
C44 C3EA C6CA 116(3) . . ?
C4FA C3FA C114 119(2) . . ?
C47 C3GA C1GA 118(2) . . ?
C59 C4AA C3DA 115(4) . . ?
C138 C4BA C213 118(3) . . ?
C1DA C4CA S20 97(3) . . ?
C1DA C4CA C40 121(3) . . ?
C40 C4CA S20 108(3) . . ?
C5BA C4DA C6BA 118(3) . . ?
C293 C4EA C142 118(3) . . ?
C179 C4FA C3FA 120(2) . . ?
C47 C4GA C78 121(2) . . ?
C45 C5 S6 109(4) . . ?
C45 C5 C62 110(3) . . ?
C62 C5 S6 110(4) . . ?
C3DA C5AA C2AA 122(4) . . ?
C4DA C5BA S27 111(3) . . ?
C4DA C5BA C193 116(3) . . ?
C193 C5BA S27 109(3) . . ?
C138 C5CA C3BA 113(3) . . ?
C5GA C5DA S12 122(5) . . ?
C5GA C5DA C143 114(3) . . ?
C143 C5DA S12 101(4) . . ?
C395 C5FA C392 112(3) . . ?
C287 C5GA C5DA 117(3) . . ?
C60 C6 S4 119(2) . . ?
C60 C6 C154 115(3) . . ?
C154 C6 S4 111(2) . . ?
C8FA C6AA S11 115(4) . . ?
C8FA C6AA C393 115(3) . . ?
C393 C6AA S11 114(4) . . ?
C4DA C6BA C203 111(3) . . ?
C3EA C6CA C1EA 110(2) . . ?
C280 C6DA C218 119.0(18) . . ?
C7FA C6FA S33 121(4) . . ?
C7FA C6FA C108 117(3) . . ?
C108 C6FA S33 107(4) . . ?
C9FA C6GA C304 121(2) . . ?
C2 C7 C32 119(3) . . ?
C8CA C7AA S01K 119(3) . . ?
C8EA C7AA S01K 110(3) . . ?
C8EA C7AA C8CA 110(3) . . ?
C277 C7BA C113 117.6(16) . . ?
C56 C7CA C28 114(3) . . ?
C171 C7DA C154 115(2) . . ?
C8CA C7EA C165 113(3) . . ?
C6FA C7FA C65 119(3) . . ?
C30 C8 C16 110(3) . . ?
C1EA C8AA S30 109(2) . . ?
C2EA C8AA S30 121(2) . . ?
C2EA C8AA C1EA 112(3) . . ?
C152 C8BA C33 117(2) . . ?
C7AA C8CA C7EA 118(3) . . ?
C22 C8DA S13 108(4) . . ?
C22 C8DA C35 124(6) . . ?
C35 C8DA S13 120(4) . . ?
C7AA C8EA C9EA 116(3) . . ?
C231 C8FA C6AA 120(3) . . ?
C1BA C9 S22 113(3) . . ?
C286 C9 S22 124(3) . . ?
C286 C9 C1BA 119.8(17) . . ?
C9BA C9AA S2 110(3) . . ?
C43 C9AA S2 102(3) . . ?
C43 C9AA C9BA 104(4) . . ?
C9AA C9BA C285 106(4) . . ?
C82 C9CA S5 116(3) . . ?
C82 C9CA C119 121(3) . . ?
C119 C9CA S5 116(3) . . ?
C157 C9DA S19 113(3) . . ?
C178 C9DA S19 118(3) . . ?
C178 C9DA C157 111(4) . . ?
C165 C9EA C8EA 111(3) . . ?
C42 C9FA C6GA 117(2) . . ?
C169 C11 C0DA 126(3) . . ?
C0AA C13 C18 118.6(18) . . ?
C8 C16 S34 109(3) . . ?
C19 C16 S34 120(3) . . ?
C19 C16 C8 126(3) . . ?
C13 C18 C135 114.6(17) . . ?
C98 C19 C16 111(4) . . ?
C1AA C20 S32 110(3) . . ?
C2 C20 S32 119(3) . . ?
C2 C20 C1AA 109(4) . . ?
C0BA C21 S25 101(2) . . ?
C0BA C21 C0DA 116(3) . . ?
C0DA C21 S25 107(3) . . ?
C8DA C22 C180 120(6) . . ?
C52 C24 S14 110(3) . . ?
C52 C24 C72 116.0(18) . . ?
C72 C24 S14 111(3) . . ?
C41 C25 C56 114(2) . . ?
C280 C27 C83 115.9(12) . . ?
C7CA C28 C90 114(2) . . ?
C50 C30 C8 117(3) . . ?
C7 C32 C96 116(3) . . ?
C63 C33 C8BA 119(3) . . ?
C202 C35 C8DA 113(6) . . ?
C57 C37 C0AA 113.2(17) . . ?
C1FA C38 S8 109(3) . . ?
C101 C38 S8 116(3) . . ?
C101 C38 C1FA 114(3) . . ?
C181 C39 S24 129(3) . . ?
C181 C39 C354 122(3) . . ?
C354 C39 S24 106(3) . . ?
C126 C40 C4CA 109(3) . . ?
C90 C41 C25 115(3) . . ?
C0CA C42 C9FA 118(2) . . ?
C9AA C43 C85 123(4) . . ?
C3EA C44 C2EA 113(2) . . ?
C177 C45 C5 119(3) . . ?
C4GA C47 C3GA 118(2) . . ?
C30 C50 C98 120(3) . . ?
C53 C51 C179 120(2) . . ?
C54 C52 C24 117.7(18) . . ?
C51 C53 C114 119.0(19) . . ?
C52 C54 C81 119.4(18) . . ?
C3CA C55 C1BA 118.1(17) . . ?
C7CA C56 S7 112(2) . . ?
C7CA C56 C25 110(2) . . ?
C25 C56 S7 113(2) . . ?
C37 C57 C135 116.9(18) . . ?
C76 C58 S21 104(2) . . ?
C76 C58 C164 110(2) . . ?
C164 C58 S21 109(2) . . ?
C3AA C59 C4AA 117(4) . . ?
C6 C60 C137 117(2) . . ?
C93 C61 C152 115(3) . . ?
C268 C62 C5 116(3) . . ?
C33 C63 C93 118(3) . . ?
C7FA C65 C224 117(3) . . ?
C103 C66 C84 120(3) . . ?
C1CA C68 S3 124(4) . . ?
C1CA C68 C173 110(3) . . ?
C173 C68 S3 112(3) . . ?
C76 C69 C97 115(2) . . ?
C24 C72 C77 117.8(19) . . ?
C69 C76 C58 114(2) . . ?
C72 C77 C81 117.9(18) . . ?
C4GA C78 C2GA 121(2) . . ?
C54 C81 C77 117.5(14) . . ?
C9CA C82 C392 118(3) . . ?
C27 C83 S10 119.5(11) . . ?
C295 C83 S10 118.9(11) . . ?
C295 C83 C27 119.9(17) . . ?
C142 C84 C66 117(3) . . ?
C163 C85 C43 107(4) . . ?
C173 C87 C276 114(3) . . ?
C195 C88 C128 116(3) . . ?
C41 C90 C28 113(3) . . ?
C61 C93 S35 111(3) . . ?
C61 C93 C63 115(3) . . ?
C63 C93 S35 118(3) . . ?
C109 C94 S16 102(4) . . ?
C139 C94 S16 117(5) . . ?
C139 C94 C109 114(3) . . ?
C1AA C96 C32 113(3) . . ?
C2BA C97 C69 115(2) . . ?
C19 C98 C50 115(4) . . ?
C38 C101 C0FA 116(2) . . ?
C213 C102 C3BA 115(3) . . ?
C66 C103 C293 120(3) . . ?
C157 C107 C147 116(2) . . ?
C6FA C108 C252 117(3) . . ?
C195 C109 C94 114(3) . . ?
C117 C111 S28 102(3) . . ?
C158 C111 S28 105(3) . . ?
C158 C111 C117 116(3) . . ?
C190 C113 C7BA 117.6(16) . . ?
C53 C114 C3FA 120.2(19) . . ?
C0GA C116 C342 120(2) . . ?
C111 C117 C125 117(2) . . ?
C9CA C119 C395 117(3) . . ?
C231 C120 C312 116(3) . . ?
C127 C125 C117 119(2) . . ?
C40 C126 C134 120(3) . . ?
C282 C127 C125 120(2) . . ?
C139 C128 C88 116(3) . . ?
C202 C130 C180 131(6) . . ?
C126 C134 C2DA 115(3) . . ?
C57 C135 C18 111.7(17) . . ?
C60 C137 C171 114(2) . . ?
C4BA C138 C5CA 118(3) . . ?
C128 C139 C94 120(3) . . ?
C4EA C142 S17 107(4) . . ?
C4EA C142 C84 118(4) . . ?
C84 C142 S17 117(4) . . ?
C242 C143 C5DA 114(3) . . ?
C1CA C146 C276 117(3) . . ?
C107 C147 C267 117(3) . . ?
C8BA C152 C61 121(3) . . ?
C6 C154 C7DA 114(2) . . ?
C107 C157 C9DA 118(3) . . ?
C111 C158 C282 116(2) . . ?
C85 C163 C285 104(4) . . ?
C2BA C164 C58 112(2) . . ?
C9EA C165 C7EA 112(3) . . ?
C169 C168 C0BA 113(2) . . ?
C11 C169 C168 117(2) . . ?
C7DA C171 C137 117(2) . . ?
C68 C173 C87 117(3) . . ?
C198 C176 C354 119(3) . . ?
C45 C177 C2FA 118(3) . . ?
C9DA C178 C267 120(3) . . ?
C4FA C179 S18 97(3) . . ?
C4FA C179 C51 118(2) . . ?
C51 C179 S18 109(3) . . ?
C22 C180 C130 110(6) . . ?
C39 C181 C254 119(3) . . ?
C238 C185 C0FA 117(3) . . ?
C242 C186 C287 117(3) . . ?
C113 C190 C239 117.3(17) . . ?
C0EA C193 C5BA 112(3) . . ?
C109 C195 C88 123(3) . . ?
C176 C198 C254 119(3) . . ?
C130 C202 C35 115(6) . . ?
C0EA C203 C6BA 110(3) . . ?
C102 C213 C4BA 116(3) . . ?
C342 C217 C306 118(3) . . ?
C295 C218 C6DA 117.6(15) . . ?
C252 C224 C65 113(3) . . ?
C239 C229 S9 121(3) . . ?
C277 C229 S9 118(3) . . ?
C277 C229 C239 119.8(15) . . ?
C8FA C231 C120 117(3) . . ?
C185 C238 C1FA 116(2) . . ?
C229 C239 C190 119.9(15) . . ?
C143 C242 C186 119(3) . . ?
C224 C252 C108 117(3) . . ?
C306 C253 C0GA 119(2) . . ?
C181 C254 C198 116(3) . . ?
C178 C267 C147 114(2) . . ?
C2FA C268 C62 120(3) . . ?
C146 C276 C87 114(2) . . ?
C229 C277 C7BA 119.6(15) . . ?
C6DA C280 C27 117.8(16) . . ?
C127 C282 C158 118(2) . . ?
C163 C285 C9BA 122(4) . . ?
C9 C286 C2CA 118.5(16) . . ?
C5GA C287 C186 116(3) . . ?
C4EA C293 C103 120(3) . . ?
C304 C294 C0CA 116(2) . . ?
C218 C295 C83 116.3(13) . . ?
C294 C304 C6GA 119(2) . . ?
C253 C306 C217 119(3) . . ?
C393 C312 C120 117(3) . . ?
C217 C342 C116 118(3) . . ?
C39 C354 C176 117(3) . . ?
C82 C392 C5FA 114(3) . . ?
C312 C393 C6AA 118(3) . . ?
C119 C395 C5FA 115(3) . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 -0.971 -0.721 -0.938 11675.3 2650.5 ?

_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 9.013
_oxdiff_exptl_absorpt_empirical_full_min 0.255
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.515(9)
2 0.485(9)

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

data_1
_database_code_depnum_ccdc_archive 'CCDC 2101897'
loop_
_audit_author_name
_audit_author_address
'shuxin wang'
;Qingdao University of Science and Technology
China
;
_audit_update_record             
;
2021-08-06 deposited with the CCDC.	2022-05-17 downloaded from the CCDC.
;
_audit_creation_date             2021-08-06
_audit_creation_method           
;
Olex2 1.5
(compiled 2021.07.19 svn.r715e62df for OlexSys, GUI svn.r6383)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'Ag32 Cd12 S36'
_chemical_formula_sum            'Ag32 Cd12 S36'
_chemical_formula_weight         5954.80
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Ag Ag 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cd Cd 0.1185 4.6533 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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      cubic
_space_group_IT_number           202
_space_group_name_H-M_alt        'F m -3'
_space_group_name_Hall           '-F 2 2 3'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'-x, y, -z'
'x, -y, -z'
'z, x, y'
'z, -x, -y'
'-z, -x, y'
'-z, x, -y'
'y, z, x'
'-y, z, -x'
'y, -z, -x'
'-y, -z, x'
'x, y+1/2, z+1/2'
'-x, -y+1/2, z+1/2'
'-x, y+1/2, -z+1/2'
'x, -y+1/2, -z+1/2'
'z, x+1/2, y+1/2'
'z, -x+1/2, -y+1/2'
'-z, -x+1/2, y+1/2'
'-z, x+1/2, -y+1/2'
'y, z+1/2, x+1/2'
'-y, z+1/2, -x+1/2'
'y, -z+1/2, -x+1/2'
'-y, -z+1/2, x+1/2'
'x+1/2, y, z+1/2'
'-x+1/2, -y, z+1/2'
'-x+1/2, y, -z+1/2'
'x+1/2, -y, -z+1/2'
'z+1/2, x, y+1/2'
'z+1/2, -x, -y+1/2'
'-z+1/2, -x, y+1/2'
'-z+1/2, x, -y+1/2'
'y+1/2, z, x+1/2'
'-y+1/2, z, -x+1/2'
'y+1/2, -z, -x+1/2'
'-y+1/2, -z, x+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z'
'-x+1/2, y+1/2, -z'
'x+1/2, -y+1/2, -z'
'z+1/2, x+1/2, y'
'z+1/2, -x+1/2, -y'
'-z+1/2, -x+1/2, y'
'-z+1/2, x+1/2, -y'
'y+1/2, z+1/2, x'
'-y+1/2, z+1/2, -x'
'y+1/2, -z+1/2, -x'
'-y+1/2, -z+1/2, x'
'-x, -y, -z'
'x, y, -z'
'x, -y, z'
'-x, y, z'
'-z, -x, -y'
'-z, x, y'
'z, x, -y'
'z, -x, y'
'-y, -z, -x'
'y, -z, x'
'-y, z, x'
'y, z, -x'
'-x, -y+1/2, -z+1/2'
'x, y+1/2, -z+1/2'
'x, -y+1/2, z+1/2'
'-x, y+1/2, z+1/2'
'-z, -x+1/2, -y+1/2'
'-z, x+1/2, y+1/2'
'z, x+1/2, -y+1/2'
'z, -x+1/2, y+1/2'
'-y, -z+1/2, -x+1/2'
'y, -z+1/2, x+1/2'
'-y, z+1/2, x+1/2'
'y, z+1/2, -x+1/2'
'-x+1/2, -y, -z+1/2'
'x+1/2, y, -z+1/2'
'x+1/2, -y, z+1/2'
'-x+1/2, y, z+1/2'
'-z+1/2, -x, -y+1/2'
'-z+1/2, x, y+1/2'
'z+1/2, x, -y+1/2'
'z+1/2, -x, y+1/2'
'-y+1/2, -z, -x+1/2'
'y+1/2, -z, x+1/2'
'-y+1/2, z, x+1/2'
'y+1/2, z, -x+1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, y+1/2, -z'
'x+1/2, -y+1/2, z'
'-x+1/2, y+1/2, z'
'-z+1/2, -x+1/2, -y'
'-z+1/2, x+1/2, y'
'z+1/2, x+1/2, -y'
'z+1/2, -x+1/2, y'
'-y+1/2, -z+1/2, -x'
'y+1/2, -z+1/2, x'
'-y+1/2, z+1/2, x'
'y+1/2, z+1/2, -x'

_cell_length_a                   32.067(8)
_cell_length_b                   32.067(8)
_cell_length_c                   32.067(8)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     32975(25)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    658
_cell_measurement_temperature    120
_cell_measurement_theta_max      50.25
_cell_measurement_theta_min      5.34
_shelx_estimated_absorpt_T_max   0.207
_shelx_estimated_absorpt_T_min   0.207
_exptl_absorpt_coefficient_mu    23.040
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.2769
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
STOE LANA, absorption correction by scaling of reflection intensities.
J. Koziskova, F. Hahn, J. Richter, J. Kozisek, "Comparison of different
absorption corrections on the model structure of tetrakis(μ₂-acetato)-
diaqua-di-copper(II)", Acta Chimica Slovaca, vol. 9, no. 2, 2016, pp. 136 - 140.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'dark red'
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.199
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             10624
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0713
_diffrn_reflns_av_unetI/netI     0.0846
_diffrn_reflns_Laue_measured_fraction_full 0.936
_diffrn_reflns_Laue_measured_fraction_max 0.936
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            5301
_diffrn_reflns_point_group_measured_fraction_full 0.936
_diffrn_reflns_point_group_measured_fraction_max 0.936
_diffrn_reflns_theta_full        56.785
_diffrn_reflns_theta_max         56.784
_diffrn_reflns_theta_min         4.573
_diffrn_ambient_temperature      120
_diffrn_detector                 Pilatus300K
_diffrn_detector_area_resol_mean 5.81
_diffrn_detector_type            'DECTRIS PILATUS 300K'
_diffrn_measured_fraction_theta_full 0.936
_diffrn_measured_fraction_theta_max 0.936
_diffrn_measurement_details      '138 frames, detector distance = 46 mm'
_diffrn_measurement_device       'Eulerian 4-circle diffractometer'
_diffrn_measurement_device_type  'STOE STADIVARI'
_diffrn_measurement_method       'rotation method, ω scans'
_diffrn_radiation_collimation    '1.2 mm, 0.6 diameter'
_diffrn_radiation_monochromator  'Graded multilayer mirror'
_diffrn_radiation_polarisn_norm  270
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54186
_diffrn_source                   'GeniX 3D HF Cu'
_diffrn_source_current           0.600
_diffrn_source_power             0.030
_diffrn_source_voltage           50
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                709
_reflns_number_total             1857
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       
;
X-Area Recipe 1.33.0.0 (STOE, 2015)
;
_computing_data_collection       
;
X-Area Pilatus3_SV 1.31.153.0 (STOE, 2018)
;
_computing_data_reduction        
;
X-Area Integrate 1.74.2.0 (STOE, 2018)
X-Area LANA 1.75.3.0 (STOE, 2018)
;
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  
;
STOE & Cie GmbH, X-Area, software package for collecting single-crystal or
multi-domain crystal data on STOE area-detector diffractometers, for image 
processing, for the correction and scaling of reflection intensities and 
for outlier rejection, version 1.86, Darmstadt 2018
;
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.773
_refine_diff_density_min         -1.235
_refine_diff_density_rms         0.114
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.920
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     61
_refine_ls_number_reflns         1857
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1563
_refine_ls_R_factor_gt           0.0930
_refine_ls_restrained_S_all      0.920
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1852P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2571
_refine_ls_wR_factor_ref         0.3163
_refine_special_details          SQUEEZE
_olex2_refinement_description    
;
1. Others
 Fixed Sof: Ag1(0.16667) Ag2(0.5) Ag3(0.5) Cd1(0.5) Ag4(0.16667) S1(0.5)
 S3(0.5) S2(0.5)
;
_atom_sites_solution_hydrogens   .
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.46901(7) 0.46901(7) 0.53099(7) 0.0999(14) Uani 0.5 3 d S T P . .
Ag2 Ag 0.40492(8) 0.46205(8) 0.52235(8) 0.1133(11) Uani 0.5 1 d . . P . .
Ag3 Ag 0.39318(9) 0.46518(10) 0.57233(10) 0.1341(13) Uani 0.5 1 d . . P . .
Cd1 Cd 0.34186(16) 0.44980(19) 0.63225(17) 0.198(2) Uani 0.5 1 d . . P . .
Ag4 Ag 0.34156(12) 0.34156(12) 0.65844(12) 0.256(5) Uani 0.5 3 d S T P . .
S1 S 0.3483(4) 0.4192(4) 0.5559(4) 0.164(5) Uani 0.5 1 d . . P . .
S3 S 0.2966(6) 0.4091(7) 0.6833(12) 0.42(2) Uani 0.5 1 d . . P . .
S2 S 0.3254(5) 0.4749(7) 0.6094(6) 0.206(11) Uani 0.5 1 d . . 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
Ag1 Ag1 1.988(4) 52_655 ?
Ag1 Ag1 1.988(4) 51_565 ?
Ag1 Ag1 1.988(4) 50_556 ?
Ag1 Ag2 2.683(3) 60_556 ?
Ag1 Ag2 2.683(3) 50_556 ?
Ag1 Ag2 2.085(3) 8_656 ?
Ag1 Ag2 2.683(3) 55_556 ?
Ag1 Ag2 2.085(3) 11_566 ?
Ag1 Ag2 2.086(3) . ?
Ag1 Ag3 2.772(4) 8_656 ?
Ag1 Ag3 2.772(4) 11_566 ?
Ag1 Ag3 2.772(4) . ?
Ag2 Ag2 1.433(5) 50_556 ?
Ag2 Ag2 2.824(5) 4_566 ?
Ag2 Ag2 3.008(5) 8_656 ?
Ag2 Ag2 3.008(5) 11_566 ?
Ag2 Ag2 2.434(5) 51_565 ?
Ag2 Ag3 2.856(4) 51_565 ?
Ag2 Ag3 2.360(4) 8_656 ?
Ag2 Ag3 1.650(4) . ?
Ag2 Ag3 2.961(4) 54_655 ?
Ag2 S1 2.518(10) . ?
Ag3 Ag3 2.233(6) 51_565 ?
Ag3 Ag3 2.829(5) 8_656 ?
Ag3 Ag3 2.829(5) 11_566 ?
Ag3 Cd1 2.578(5) . ?
Ag3 S1 2.762(13) 11_566 ?
Ag3 S1 2.126(12) . ?
Ag3 S2 2.497(14) . ?
Cd1 Cd1 3.220(12) 51_565 ?
Cd1 S1 2.646(14) . ?
Cd1 S1 2.564(15) 11_566 ?
Cd1 S3 2.547(18) . ?
Cd1 S2 2.58(2) 51_565 ?
Cd1 S2 1.211(18) . ?
Ag4 S3 2.72(3) . ?
Ag4 S3 2.72(3) 11_566 ?
Ag4 S3 2.72(3) 8_656 ?
S2 S2 1.61(4) 51_565 ?

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
Ag1 Ag1 Ag1 90.0 52_655 51_565 ?
Ag1 Ag1 Ag1 90.001(1) 52_655 50_556 ?
Ag1 Ag1 Ag1 90.001(1) 51_565 50_556 ?
Ag1 Ag1 Ag2 139.99(8) 52_655 50_556 ?
Ag1 Ag1 Ag2 96.14(9) 51_565 . ?
Ag1 Ag1 Ag2 50.39(9) 51_565 60_556 ?
Ag1 Ag1 Ag2 50.39(9) 50_556 50_556 ?
Ag1 Ag1 Ag2 96.14(9) 52_655 11_566 ?
Ag1 Ag1 Ag2 50.39(9) 52_655 55_556 ?
Ag1 Ag1 Ag2 82.36(10) 51_565 11_566 ?
Ag1 Ag1 Ag2 82.36(10) 50_556 . ?
Ag1 Ag1 Ag2 170.17(7) 50_556 11_566 ?
Ag1 Ag1 Ag2 94.77(7) 51_565 50_556 ?
Ag1 Ag1 Ag2 82.36(10) 52_655 8_656 ?
Ag1 Ag1 Ag2 94.77(7) 52_655 60_556 ?
Ag1 Ag1 Ag2 170.17(8) 51_565 8_656 ?
Ag1 Ag1 Ag2 139.99(8) 50_556 60_556 ?
Ag1 Ag1 Ag2 96.14(9) 50_556 8_656 ?
Ag1 Ag1 Ag2 139.99(9) 51_565 55_556 ?
Ag1 Ag1 Ag2 170.17(7) 52_655 . ?
Ag1 Ag1 Ag2 94.77(7) 50_556 55_556 ?
Ag1 Ag1 Ag3 151.30(7) 52_655 . ?
Ag1 Ag1 Ag3 151.30(7) 51_565 8_656 ?
Ag1 Ag1 Ag3 92.54(8) 52_655 11_566 ?
Ag1 Ag1 Ag3 92.54(8) 51_565 . ?
Ag1 Ag1 Ag3 92.54(8) 50_556 8_656 ?
Ag1 Ag1 Ag3 151.30(7) 50_556 11_566 ?
Ag1 Ag1 Ag3 118.57(7) 51_565 11_566 ?
Ag1 Ag1 Ag3 118.57(7) 52_655 8_656 ?
Ag1 Ag1 Ag3 118.57(7) 50_556 . ?
Ag2 Ag1 Ag2 95.06(8) 11_566 55_556 ?
Ag2 Ag1 Ag2 31.97(11) . 50_556 ?
Ag2 Ag1 Ag2 123.87(15) 8_656 60_556 ?
Ag2 Ag1 Ag2 31.96(11) 8_656 55_556 ?
Ag2 Ag1 Ag2 95.06(8) 8_656 50_556 ?
Ag2 Ag1 Ag2 123.87(15) . 55_556 ?
Ag2 Ag1 Ag2 92.28(16) 8_656 . ?
Ag2 Ag1 Ag2 118.53(4) 50_556 55_556 ?
Ag2 Ag1 Ag2 118.53(4) 50_556 60_556 ?
Ag2 Ag1 Ag2 118.53(4) 60_556 55_556 ?
Ag2 Ag1 Ag2 31.96(11) 11_566 60_556 ?
Ag2 Ag1 Ag2 92.29(16) 11_566 8_656 ?
Ag2 Ag1 Ag2 95.06(8) . 60_556 ?
Ag2 Ag1 Ag2 92.28(16) 11_566 . ?
Ag2 Ag1 Ag2 123.87(15) 11_566 50_556 ?
Ag2 Ag1 Ag3 65.73(10) 55_556 11_566 ?
Ag2 Ag1 Ag3 68.25(11) 55_556 8_656 ?
Ag2 Ag1 Ag3 65.73(10) 50_556 8_656 ?
Ag2 Ag1 Ag3 56.00(13) 8_656 11_566 ?
Ag2 Ag1 Ag3 56.00(13) . 8_656 ?
Ag2 Ag1 Ag3 119.05(16) 50_556 11_566 ?
Ag2 Ag1 Ag3 119.05(16) 60_556 8_656 ?
Ag2 Ag1 Ag3 91.25(17) 11_566 8_656 ?
Ag2 Ag1 Ag3 119.05(16) 55_556 . ?
Ag2 Ag1 Ag3 36.35(10) 8_656 8_656 ?
Ag2 Ag1 Ag3 68.24(11) 50_556 . ?
Ag2 Ag1 Ag3 65.73(10) 60_556 . ?
Ag2 Ag1 Ag3 91.25(17) . 11_566 ?
Ag2 Ag1 Ag3 56.01(13) 11_566 . ?
Ag2 Ag1 Ag3 68.25(11) 60_556 11_566 ?
Ag2 Ag1 Ag3 91.25(17) 8_656 . ?
Ag2 Ag1 Ag3 36.35(10) . . ?
Ag2 Ag1 Ag3 36.35(10) 11_566 11_566 ?
Ag3 Ag1 Ag3 61.35(13) . 8_656 ?
Ag3 Ag1 Ag3 61.35(13) 8_656 11_566 ?
Ag3 Ag1 Ag3 61.35(13) . 11_566 ?
Ag1 Ag2 Ag1 47.25(15) . 50_556 ?
Ag1 Ag2 Ag2 43.86(8) . 11_566 ?
Ag1 Ag2 Ag2 64.07(7) 50_556 8_656 ?
Ag1 Ag2 Ag2 43.86(8) . 8_656 ?
Ag1 Ag2 Ag2 88.58(11) . 4_566 ?
Ag1 Ag2 Ag2 83.86(9) . 51_565 ?
Ag1 Ag2 Ag2 90.80(9) 50_556 11_566 ?
Ag1 Ag2 Ag2 66.73(7) 50_556 4_566 ?
Ag1 Ag2 Ag3 88.16(10) . 51_565 ?
Ag1 Ag2 Ag3 85.38(10) . 54_655 ?
Ag1 Ag2 Ag3 76.89(13) . 8_656 ?
Ag1 Ag2 Ag3 113.01(13) 50_556 51_565 ?
Ag1 Ag2 Ag3 58.59(10) 50_556 54_655 ?
Ag1 Ag2 S1 135.4(4) . . ?
Ag2 Ag2 Ag1 97.64(10) 50_556 . ?
Ag2 Ag2 Ag1 50.39(9) 50_556 50_556 ?
Ag2 Ag2 Ag1 85.23(7) 51_565 50_556 ?
Ag2 Ag2 Ag2 104.48(13) 4_566 11_566 ?
Ag2 Ag2 Ag2 127.534(16) 4_566 8_656 ?
Ag2 Ag2 Ag2 30.49(10) 51_565 4_566 ?
Ag2 Ag2 Ag2 59.51(10) 50_556 4_566 ?
Ag2 Ag2 Ag2 140.84(3) 50_556 11_566 ?
Ag2 Ag2 Ag2 60.0 8_656 11_566 ?
Ag2 Ag2 Ag2 80.42(7) 51_565 11_566 ?
Ag2 Ag2 Ag2 90.0 50_556 51_565 ?
Ag2 Ag2 Ag2 127.52(6) 51_565 8_656 ?
Ag2 Ag2 Ag2 99.58(7) 50_556 8_656 ?
Ag2 Ag2 Ag3 166.33(14) 50_556 . ?
Ag2 Ag2 Ag3 99.76(10) 50_556 8_656 ?
Ag2 Ag2 Ag3 51.76(8) 50_556 54_655 ?
Ag2 Ag2 Ag3 138.22(8) 51_565 54_655 ?
Ag2 Ag2 Ag3 65.21(12) 4_566 51_565 ?
Ag2 Ag2 Ag3 35.21(8) 51_565 51_565 ?
Ag2 Ag2 Ag3 109.18(14) 4_566 54_655 ?
Ag2 Ag2 Ag3 124.14(8) 50_556 51_565 ?
Ag2 Ag2 S1 115.3(3) 50_556 . ?
Ag2 Ag2 S1 123.1(3) 51_565 . ?
Ag3 Ag2 Ag1 142.12(19) . 50_556 ?
Ag3 Ag2 Ag1 87.09(11) 8_656 50_556 ?
Ag3 Ag2 Ag1 95.12(16) . . ?
Ag3 Ag2 Ag2 57.17(12) 54_655 8_656 ?
Ag3 Ag2 Ag2 60.60(11) 51_565 11_566 ?
Ag3 Ag2 Ag2 159.36(10) 8_656 51_565 ?
Ag3 Ag2 Ag2 153.18(14) 8_656 4_566 ?
Ag3 Ag2 Ag2 86.51(14) . 51_565 ?
Ag3 Ag2 Ag2 93.01(13) . 8_656 ?
Ag3 Ag2 Ag2 116.1(2) . 4_566 ?
Ag3 Ag2 Ag2 33.09(10) 8_656 8_656 ?
Ag3 Ag2 Ag2 117.01(12) 54_655 11_566 ?
Ag3 Ag2 Ag2 80.56(10) 8_656 11_566 ?
Ag3 Ag2 Ag2 51.35(14) . 11_566 ?
Ag3 Ag2 Ag2 120.43(11) 51_565 8_656 ?
Ag3 Ag2 Ag3 48.00(15) 8_656 54_655 ?
Ag3 Ag2 Ag3 51.30(17) . 51_565 ?
Ag3 Ag2 Ag3 134.67(15) . 54_655 ?
Ag3 Ag2 Ag3 135.25(12) 8_656 51_565 ?
Ag3 Ag2 Ag3 171.59(15) 51_565 54_655 ?
Ag3 Ag2 Ag3 87.9(2) . 8_656 ?
Ag3 Ag2 S1 56.9(3) . . ?
Ag3 Ag2 S1 68.9(3) 8_656 . ?
S1 Ag2 Ag1 150.5(3) . 50_556 ?
S1 Ag2 Ag2 133.4(3) . 4_566 ?
S1 Ag2 Ag2 101.5(3) . 11_566 ?
S1 Ag2 Ag2 99.0(3) . 8_656 ?
S1 Ag2 Ag3 92.0(3) . 54_655 ?
S1 Ag2 Ag3 96.4(3) . 51_565 ?
Ag1 Ag3 Ag2 65.15(9) . 51_565 ?
Ag1 Ag3 Ag2 55.68(7) . 60_556 ?
Ag1 Ag3 Ag3 59.33(7) . 8_656 ?
Ag1 Ag3 Ag3 59.32(7) . 11_566 ?
Ag2 Ag3 Ag1 48.53(11) . . ?
Ag2 Ag3 Ag1 47.11(8) 11_566 . ?
Ag2 Ag3 Ag2 62.23(12) 51_565 60_556 ?
Ag2 Ag3 Ag2 84.92(12) 11_566 51_565 ?
Ag2 Ag3 Ag2 58.28(15) . 51_565 ?
Ag2 Ag3 Ag2 96.12(17) . 60_556 ?
Ag2 Ag3 Ag2 95.56(19) . 11_566 ?
Ag2 Ag3 Ag2 28.48(11) 11_566 60_556 ?
Ag2 Ag3 Ag3 93.49(14) . 51_565 ?
Ag2 Ag3 Ag3 84.48(10) 11_566 8_656 ?
Ag2 Ag3 Ag3 56.48(17) . 8_656 ?
Ag2 Ag3 Ag3 99.65(14) . 11_566 ?
Ag2 Ag3 Ag3 35.65(11) 11_566 11_566 ?
Ag2 Ag3 Cd1 149.1(2) . . ?
Ag2 Ag3 Cd1 113.56(19) 11_566 . ?
Ag2 Ag3 S1 144.2(3) . 11_566 ?
Ag2 Ag3 S1 58.3(3) 11_566 11_566 ?
Ag2 Ag3 S1 82.6(4) . . ?
Ag2 Ag3 S2 130.3(5) 11_566 . ?
Ag2 Ag3 S2 131.9(5) . . ?
Ag3 Ag3 Ag1 87.46(8) 51_565 . ?
Ag3 Ag3 Ag2 63.78(13) 11_566 60_556 ?
Ag3 Ag3 Ag2 51.76(8) 51_565 60_556 ?
Ag3 Ag3 Ag2 108.57(10) 8_656 60_556 ?
Ag3 Ag3 Ag2 112.13(10) 8_656 51_565 ?
Ag3 Ag3 Ag2 117.34(9) 11_566 51_565 ?
Ag3 Ag3 Ag2 80.24(10) 51_565 11_566 ?
Ag3 Ag3 Ag2 35.21(8) 51_565 51_565 ?
Ag3 Ag3 Ag3 144.713(4) 51_565 8_656 ?
Ag3 Ag3 Ag3 60.0 8_656 11_566 ?
Ag3 Ag3 Ag3 115.17(9) 51_565 11_566 ?
Ag3 Ag3 Cd1 101.03(16) 51_565 . ?
Ag3 Ag3 S1 104.1(3) 51_565 11_566 ?
Ag3 Ag3 S2 82.8(5) 51_565 . ?
Cd1 Ag3 Ag1 157.67(19) . . ?
Cd1 Ag3 Ag2 114.27(18) . 60_556 ?
Cd1 Ag3 Ag2 131.22(19) . 51_565 ?
Cd1 Ag3 Ag3 98.53(17) . 11_566 ?
Cd1 Ag3 Ag3 114.23(16) . 8_656 ?
Cd1 Ag3 S1 57.3(3) . 11_566 ?
S1 Ag3 Ag1 100.7(3) 11_566 . ?
S1 Ag3 Ag1 120.4(4) . . ?
S1 Ag3 Ag2 174.2(4) . 60_556 ?
S1 Ag3 Ag2 132.6(3) 11_566 51_565 ?
S1 Ag3 Ag2 72.5(3) 11_566 60_556 ?
S1 Ag3 Ag2 145.8(4) . 11_566 ?
S1 Ag3 Ag2 121.1(4) . 51_565 ?
S1 Ag3 Ag3 110.8(4) . 11_566 ?
S1 Ag3 Ag3 44.7(3) 11_566 11_566 ?
S1 Ag3 Ag3 94.2(3) 11_566 8_656 ?
S1 Ag3 Ag3 133.9(4) . 51_565 ?
S1 Ag3 Ag3 66.0(4) . 8_656 ?
S1 Ag3 Cd1 67.7(4) . . ?
S1 Ag3 S1 105.3(6) . 11_566 ?
S1 Ag3 S2 67.4(6) . . ?
S2 Ag3 Ag1 170.3(5) . . ?
S2 Ag3 Ag2 117.1(5) . 60_556 ?
S2 Ag3 Ag2 106.3(5) . 51_565 ?
S2 Ag3 Ag3 125.3(5) . 11_566 ?
S2 Ag3 Ag3 130.1(5) . 8_656 ?
S2 Ag3 Cd1 27.5(4) . . ?
S2 Ag3 S1 81.7(5) . 11_566 ?
Ag3 Cd1 Cd1 78.97(16) . 51_565 ?
Ag3 Cd1 S1 48.0(2) . . ?
Ag3 Cd1 S2 74.9(4) . 51_565 ?
S1 Cd1 Ag3 65.0(3) 11_566 . ?
S1 Cd1 Cd1 111.7(3) . 51_565 ?
S1 Cd1 Cd1 94.1(3) 11_566 51_565 ?
S1 Cd1 S1 97.1(6) 11_566 . ?
S1 Cd1 S2 109.5(5) 11_566 51_565 ?
S3 Cd1 Ag3 160.2(7) . . ?
S3 Cd1 Cd1 120.8(7) . 51_565 ?
S3 Cd1 S1 116.7(9) . . ?
S3 Cd1 S1 111.1(7) . 11_566 ?
S3 Cd1 S2 123.0(7) . 51_565 ?
S2 Cd1 Ag3 72.5(8) . . ?
S2 Cd1 Cd1 48.4(11) . 51_565 ?
S2 Cd1 Cd1 20.5(4) 51_565 51_565 ?
S2 Cd1 S1 128.1(10) . 11_566 ?
S2 Cd1 S1 73.7(10) . . ?
S2 Cd1 S1 95.7(5) 51_565 . ?
S2 Cd1 S3 118.7(10) . . ?
S2 Cd1 S2 27.8(10) . 51_565 ?
S3 Ag4 S3 119.980(19) . 11_566 ?
S3 Ag4 S3 119.97(2) . 8_656 ?
S3 Ag4 S3 119.977(19) 8_656 11_566 ?
Ag2 S1 Ag3 52.9(2) . 8_656 ?
Ag2 S1 Cd1 104.4(4) . . ?
Ag2 S1 Cd1 108.8(5) . 8_656 ?
Ag3 S1 Ag2 40.5(2) . . ?
Ag3 S1 Ag3 69.3(4) . 8_656 ?
Ag3 S1 Cd1 121.6(6) . 8_656 ?
Ag3 S1 Cd1 64.3(4) . . ?
Cd1 S1 Ag3 114.2(5) . 8_656 ?
Cd1 S1 Ag3 57.7(3) 8_656 8_656 ?
Cd1 S1 Cd1 116.3(5) 8_656 . ?
Cd1 S3 Ag4 85.3(7) . . ?
Ag3 S2 Cd1 94.2(6) . 51_565 ?
Cd1 S2 Ag3 79.9(8) . . ?
Cd1 S2 Cd1 111.1(13) . 51_565 ?
Cd1 S2 S2 131.6(11) . 51_565 ?
S2 S2 Ag3 97.1(5) 51_565 . ?
S2 S2 Cd1 20.5(4) 51_565 51_565 ?

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 Ag2 Ag3 Ag1 -5.87(18) 50_556 . . . ?
Ag1 Ag2 Ag3 Ag2 83.51(10) . . . 51_565 ?
Ag1 Ag2 Ag3 Ag2 2.99(15) . . . 11_566 ?
Ag1 Ag2 Ag3 Ag2 -2.9(3) 50_556 . . 11_566 ?
Ag1 Ag2 Ag3 Ag2 77.6(3) 50_556 . . 51_565 ?
Ag1 Ag2 Ag3 Ag2 31.62(12) . . . 60_556 ?
Ag1 Ag2 Ag3 Ag2 25.8(3) 50_556 . . 60_556 ?
Ag1 Ag2 Ag3 Ag3 83.51(10) . . . 51_565 ?
Ag1 Ag2 Ag3 Ag3 -38.6(3) 50_556 . . 11_566 ?
Ag1 Ag2 Ag3 Ag3 -32.76(15) . . . 11_566 ?
Ag1 Ag2 Ag3 Ag3 77.6(3) 50_556 . . 51_565 ?
Ag1 Ag2 Ag3 Ag3 -76.63(13) . . . 8_656 ?
Ag1 Ag2 Ag3 Ag3 -82.5(3) 50_556 . . 8_656 ?
Ag1 Ag2 Ag3 Cd1 -158.1(4) . . . . ?
Ag1 Ag2 Ag3 Cd1 -163.9(3) 50_556 . . . ?
Ag1 Ag2 Ag3 S1 -148.5(5) 50_556 . . . ?
Ag1 Ag2 Ag3 S1 -142.7(4) . . . . ?
Ag1 Ag2 Ag3 S1 -36.7(6) . . . 11_566 ?
Ag1 Ag2 Ag3 S1 -42.6(7) 50_556 . . 11_566 ?
Ag1 Ag2 Ag3 S2 167.0(7) . . . . ?
Ag1 Ag2 Ag3 S2 161.2(7) 50_556 . . . ?
Ag2 Ag2 Ag3 Ag1 43.92(8) 8_656 . . . ?
Ag2 Ag2 Ag3 Ag1 -90.94(14) 4_566 . . . ?
Ag2 Ag2 Ag3 Ag1 -2.99(15) 11_566 . . . ?
Ag2 Ag2 Ag3 Ag1 -159.0(6) 50_556 . . . ?
Ag2 Ag2 Ag3 Ag1 -83.51(10) 51_565 . . . ?
Ag2 Ag2 Ag3 Ag2 28.63(11) 11_566 . . 60_556 ?
Ag2 Ag2 Ag3 Ag2 -75.5(6) 50_556 . . 51_565 ?
Ag2 Ag2 Ag3 Ag2 -127.4(6) 50_556 . . 60_556 ?
Ag2 Ag2 Ag3 Ag2 -87.95(15) 4_566 . . 11_566 ?
Ag2 Ag2 Ag3 Ag2 127.43(6) 8_656 . . 51_565 ?
Ag2 Ag2 Ag3 Ag2 80.52(11) 11_566 . . 51_565 ?
Ag2 Ag2 Ag3 Ag2 -51.89(9) 51_565 . . 60_556 ?
Ag2 Ag2 Ag3 Ag2 46.91(11) 8_656 . . 11_566 ?
Ag2 Ag2 Ag3 Ag2 -7.43(8) 4_566 . . 51_565 ?
Ag2 Ag2 Ag3 Ag2 -156.0(5) 50_556 . . 11_566 ?
Ag2 Ag2 Ag3 Ag2 75.54(11) 8_656 . . 60_556 ?
Ag2 Ag2 Ag3 Ag2 -80.52(11) 51_565 . . 11_566 ?
Ag2 Ag2 Ag3 Ag2 -59.32(12) 4_566 . . 60_556 ?
Ag2 Ag2 Ag3 Ag3 -116.27(10) 51_565 . . 11_566 ?
Ag2 Ag2 Ag3 Ag3 -75.5(6) 50_556 . . 51_565 ?
Ag2 Ag2 Ag3 Ag3 124.4(6) 50_556 . . 8_656 ?
Ag2 Ag2 Ag3 Ag3 0.000(1) 51_565 . . 51_565 ?
Ag2 Ag2 Ag3 Ag3 -79.61(12) 11_566 . . 8_656 ?
Ag2 Ag2 Ag3 Ag3 -123.70(9) 4_566 . . 11_566 ?
Ag2 Ag2 Ag3 Ag3 -7.43(8) 4_566 . . 51_565 ?
Ag2 Ag2 Ag3 Ag3 80.52(11) 11_566 . . 51_565 ?
Ag2 Ag2 Ag3 Ag3 -32.70(10) 8_656 . . 8_656 ?
Ag2 Ag2 Ag3 Ag3 11.16(12) 8_656 . . 11_566 ?
Ag2 Ag2 Ag3 Ag3 168.3(5) 50_556 . . 11_566 ?
Ag2 Ag2 Ag3 Ag3 -35.75(11) 11_566 . . 11_566 ?
Ag2 Ag2 Ag3 Ag3 127.43(6) 8_656 . . 51_565 ?
Ag2 Ag2 Ag3 Ag3 -167.56(14) 4_566 . . 8_656 ?
Ag2 Ag2 Ag3 Ag3 -160.13(9) 51_565 . . 8_656 ?
Ag2 Ag2 Ag3 Cd1 118.4(5) 51_565 . . . ?
Ag2 Ag2 Ag3 Cd1 -114.1(4) 8_656 . . . ?
Ag2 Ag2 Ag3 Cd1 -161.1(5) 11_566 . . . ?
Ag2 Ag2 Ag3 Cd1 42.9(9) 50_556 . . . ?
Ag2 Ag2 Ag3 Cd1 111.0(4) 4_566 . . . ?
Ag2 Ag2 Ag3 S1 126.4(4) 4_566 . . . ?
Ag2 Ag2 Ag3 S1 58.3(7) 50_556 . . . ?
Ag2 Ag2 Ag3 S1 -39.7(5) 11_566 . . 11_566 ?
Ag2 Ag2 Ag3 S1 164.3(6) 50_556 . . 11_566 ?
Ag2 Ag2 Ag3 S1 7.2(6) 8_656 . . 11_566 ?
Ag2 Ag2 Ag3 S1 -98.7(4) 8_656 . . . ?
Ag2 Ag2 Ag3 S1 -145.7(4) 11_566 . . . ?
Ag2 Ag2 Ag3 S1 -120.2(5) 51_565 . . 11_566 ?
Ag2 Ag2 Ag3 S1 -127.7(5) 4_566 . . 11_566 ?
Ag2 Ag2 Ag3 S1 133.8(4) 51_565 . . . ?
Ag2 Ag2 Ag3 S2 76.1(7) 4_566 . . . ?
Ag2 Ag2 Ag3 S2 83.5(7) 51_565 . . . ?
Ag2 Ag2 Ag3 S2 164.0(7) 11_566 . . . ?
Ag2 Ag2 Ag3 S2 8.0(10) 50_556 . . . ?
Ag2 Ag2 Ag3 S2 -149.1(7) 8_656 . . . ?
Ag3 Ag2 Ag3 Ag1 76.63(13) 8_656 . . . ?
Ag3 Ag2 Ag3 Ag1 88.6(2) 54_655 . . . ?
Ag3 Ag2 Ag3 Ag1 -83.51(10) 51_565 . . . ?
Ag3 Ag2 Ag3 Ag2 160.13(9) 8_656 . . 51_565 ?
Ag3 Ag2 Ag3 Ag2 91.5(2) 54_655 . . 11_566 ?
Ag3 Ag2 Ag3 Ag2 -51.89(9) 51_565 . . 60_556 ?
Ag3 Ag2 Ag3 Ag2 79.61(12) 8_656 . . 11_566 ?
Ag3 Ag2 Ag3 Ag2 0.000(1) 51_565 . . 51_565 ?
Ag3 Ag2 Ag3 Ag2 108.24(13) 8_656 . . 60_556 ?
Ag3 Ag2 Ag3 Ag2 120.2(2) 54_655 . . 60_556 ?
Ag3 Ag2 Ag3 Ag2 -80.52(11) 51_565 . . 11_566 ?
Ag3 Ag2 Ag3 Ag2 172.07(18) 54_655 . . 51_565 ?
Ag3 Ag2 Ag3 Ag3 11.94(14) 54_655 . . 8_656 ?
Ag3 Ag2 Ag3 Ag3 172.07(18) 54_655 . . 51_565 ?
Ag3 Ag2 Ag3 Ag3 160.13(9) 8_656 . . 51_565 ?
Ag3 Ag2 Ag3 Ag3 -116.27(10) 51_565 . . 11_566 ?
Ag3 Ag2 Ag3 Ag3 -160.13(9) 51_565 . . 8_656 ?
Ag3 Ag2 Ag3 Ag3 43.87(9) 8_656 . . 11_566 ?
Ag3 Ag2 Ag3 Ag3 55.8(2) 54_655 . . 11_566 ?
Ag3 Ag2 Ag3 Cd1 118.4(5) 51_565 . . . ?
Ag3 Ag2 Ag3 Cd1 -69.5(5) 54_655 . . . ?
Ag3 Ag2 Ag3 Cd1 -81.4(5) 8_656 . . . ?
Ag3 Ag2 Ag3 S1 -54.1(4) 54_655 . . . ?
Ag3 Ag2 Ag3 S1 39.9(6) 8_656 . . 11_566 ?
Ag3 Ag2 Ag3 S1 -120.2(5) 51_565 . . 11_566 ?
Ag3 Ag2 Ag3 S1 -66.0(4) 8_656 . . . ?
Ag3 Ag2 Ag3 S1 51.8(6) 54_655 . . 11_566 ?
Ag3 Ag2 Ag3 S1 133.8(4) 51_565 . . . ?
Ag3 Ag2 Ag3 S2 -104.4(7) 54_655 . . . ?
Ag3 Ag2 Ag3 S2 83.5(7) 51_565 . . . ?
Ag3 Ag2 Ag3 S2 -116.3(7) 8_656 . . . ?
Ag3 Cd1 S2 Cd1 -90.7(8) . . . 51_565 ?
Ag3 Cd1 S2 S2 -90.6(8) . . . 51_565 ?
Cd1 Cd1 S2 Ag3 90.7(8) 51_565 . . . ?
Cd1 Cd1 S2 S2 0.003(6) 51_565 . . 51_565 ?
S1 Ag2 Ag3 Ag1 142.7(4) . . . . ?
S1 Ag2 Ag3 Ag2 -133.8(4) . . . 51_565 ?
S1 Ag2 Ag3 Ag2 174.3(4) . . . 60_556 ?
S1 Ag2 Ag3 Ag2 145.7(4) . . . 11_566 ?
S1 Ag2 Ag3 Ag3 -133.8(4) . . . 51_565 ?
S1 Ag2 Ag3 Ag3 109.9(4) . . . 11_566 ?
S1 Ag2 Ag3 Ag3 66.0(4) . . . 8_656 ?
S1 Ag2 Ag3 Cd1 -15.4(6) . . . . ?
S1 Ag2 Ag3 S1 106.0(8) . . . 11_566 ?
S1 Ag2 Ag3 S2 -50.3(8) . . . . ?
S1 Cd1 S2 Ag3 -50.3(3) . . . . ?
S1 Cd1 S2 Ag3 35.9(12) 11_566 . . . ?
S1 Cd1 S2 Cd1 -54.8(14) 11_566 . . 51_565 ?
S1 Cd1 S2 Cd1 -141.0(9) . . . 51_565 ?
S1 Cd1 S2 S2 -54.8(14) 11_566 . . 51_565 ?
S1 Cd1 S2 S2 -141.0(9) . . . 51_565 ?
S3 Cd1 S2 Ag3 -162.2(11) . . . . ?
S3 Cd1 S2 Cd1 107.1(13) . . . 51_565 ?
S3 Cd1 S2 S2 107.1(13) . . . 51_565 ?
S2 Cd1 S2 Ag3 90.6(8) 51_565 . . . ?
S2 Cd1 S2 Cd1 -0.003(9) 51_565 . . 51_565 ?

_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 -0.705 -0.480 -0.133 22854.6 755.8 ?

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

data_1_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 2080520'
loop_
_audit_author_name
_audit_author_address
'shuxin wang'
;Qingdao University of Science and Technology
China
;
_audit_update_record             
;
2021-05-26 deposited with the CCDC.	2022-05-17 downloaded from the CCDC.
;
_audit_creation_date             2021-05-26
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'2(C321 H303 Ag32 Cd12 O36 P4 S36), 1(C64.8 H51.6 Ag0.8 Cd2.4 Cl2.4 O2.4 P3.2 S2.4), 1(C16.8 H16.8 Ag2.4 Cl0.8 O2.4 S2.4), 1.2(C6)'
_chemical_formula_sum            
'C730.79 H674.39 Ag67.20 Cd26.40 Cl3.20 O76.80 P11.20 S76.80'
_chemical_formula_weight         23823.72
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cd Cd 0.1185 4.6533 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      trigonal
_space_group_IT_number           147
_space_group_name_H-M_alt        'P -3'
_space_group_name_Hall           '-P 3'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'

_cell_length_a                   33.2637(4)
_cell_length_b                   33.2637(4)
_cell_length_c                   28.1094(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     26935.4(7)
_cell_formula_units_Z            1.00002
_cell_measurement_reflns_used    71060
_cell_measurement_temperature    170
_cell_measurement_theta_max      68.47
_cell_measurement_theta_min      4.04
_shelx_estimated_absorpt_T_max   0.369
_shelx_estimated_absorpt_T_min   0.203
_exptl_absorpt_coefficient_mu    15.583
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.3086
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
STOE LANA, absorption correction by scaling of reflection intensities.
J. Koziskova, F. Hahn, J. Richter, J. Kozisek, "Comparison of different
absorption corrections on the model structure of tetrakis(μ₂-acetato)-
diaqua-di-copper(II)", Acta Chimica Slovaca, vol. 9, no. 2, 2016, pp. 136 - 140.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            black
_exptl_crystal_colour_primary    black
_exptl_crystal_density_diffrn    1.469
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             11550
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.08
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0373
_diffrn_reflns_av_unetI/netI     0.0541
_diffrn_reflns_Laue_measured_fraction_full 0.989
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_limit_h_max       38
_diffrn_reflns_limit_h_min       -38
_diffrn_reflns_limit_k_max       39
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            83427
_diffrn_reflns_point_group_measured_fraction_full 0.989
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_theta_full        64.992
_diffrn_reflns_theta_max         64.992
_diffrn_reflns_theta_min         4.060
_diffrn_ambient_temperature      170.0
_diffrn_detector_area_resol_mean 5.81
_diffrn_detector_type            'DECTRIS PILATUS 300K'
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_details      
;
 806 frames, detector distance = 60 mm
;
_diffrn_measurement_device       'Eulerian 4-circle diffractometer'
_diffrn_measurement_device_type  STOE
_diffrn_measurement_method       'rotation method, ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54186
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                20833
_reflns_number_total             30227
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       
;
X-Area Recipe 1.33.0.0 (STOE, 2015)
;
_computing_data_collection       
;
X-Area Pilatus3_SV 1.31.153.0 (STOE, 2018)
;
_computing_data_reduction        
;
X-Area Integrate 1.74.2.0 (STOE, 2018)
X-Area LANA 1.75.3.0 (STOE, 2018)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.821
_refine_diff_density_min         -1.351
_refine_diff_density_rms         0.144
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.079
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           fullcycle
_refine_ls_number_parameters     1659
_refine_ls_number_reflns         30227
_refine_ls_number_restraints     5014
_refine_ls_R_factor_all          0.0784
_refine_ls_R_factor_gt           0.0514
_refine_ls_restrained_S_all      1.169
_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)+(0.0868P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1435
_refine_ls_wR_factor_ref         0.1516
_refine_special_details          SQUEEZE
_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
 C02X-C02A = C02Q-C02A = C15-C02Q = C6CA-C15 = C6CA-C01W = C02X-C01W
 1.39 with sigma of 0.001
 C51-C35 = C35-C01W = C8CA-C01W = C8CA-C7CA = C7CA-C02Q = C51-C02Q
 1.39 with sigma of 0.001
 O3-C129
 1.48 with sigma of 0.01
 O2-C2AA
 1.48 with sigma of 0.01
 O02J-C3AA
 1.428 with sigma of 0.001
 C03A-C3AA
 2.56 with sigma of 0.001
 H31-H26C
 2.03 with sigma of 0.001
 C4CA-C2AA
 2.5 with sigma of 0.01
 S2-C59
 2.78 with sigma of 0.01
 S2-C61
 2.78 with sigma of 0.01
 C62_$2-O4
 1.38 with sigma of 0.01
 C63_$2-O4
 2.35 with sigma of 0.01
 C57_$2-O4
 2.35 with sigma of 0.01
 C27-O29
 1.38 with sigma of 0.01
 Cl4A_$2-C28
 2.3 with sigma of 0.01
 C66-O29
 2.35 with sigma of 0.01
 C29-O29
 2.35 with sigma of 0.01
 C49_$2-O29
 1.38 with sigma of 0.01
 O29_$3-C49
 1.4 with sigma of 0.01
 C27-H32
 1.6 with sigma of 0.01
 H32-C27
 1.65 with sigma of 0.01
 C25_$3-S1_$3 \\sim S1_$3-C28_$3
 with sigma of 0.02
3. Restrained planarity
 S8, C46, C13, C2CA, C11, C3CA, C1CA, O3
 with sigma of 0.1
 C02A, C02Q, C02X, C01W, C6CA, C15, O023, S9
 with sigma of 0.1
 S9, C01W, C6CA, C15, C02Q, C02A, C02X
 with sigma of 0.1
 C01W, C35, C51, C02Q, C7CA, C8CA
 with sigma of 0.1
 S1, C7, C28, C25, C29, C27, C66
 with sigma of 0.1
 P2, C56_$1, C38_$1, C41_$1, C141_$1, C67_$1, C42_$1
 with sigma of 0.1
 P2, C30_$1, C44_$1, C37_$1, C32_$1, C34_$1, C70_$1
 with sigma of 0.1
 S2, C64, C59, C63, C62, C57, C61
 with sigma of 0.1
 C64_$2, C59_$2, C61_$2, C57_$2, S2_$2, C63_$2, C62_$2, O4
 with sigma of 0.1
 S1, C7, C28, C66, C27, C29, C25, O29
 with sigma of 0.1
4. Uiso/Uaniso restraints and constraints
C45 \\sim C48 \\sim C47 \\sim C33 \\sim C65 \\sim C40: within 3.8A with sigma
of 0.01 and sigma for terminal atoms of 0.02
C3 \\sim C24 \\sim C5 \\sim C12 \\sim C8 \\sim C2: within 3.8A with sigma of
0.01 and sigma for terminal atoms of 0.02
C14 \\sim C16 \\sim C18 \\sim C19 \\sim C23 \\sim C20: within 3.8A with sigma
of 0.01 and sigma for terminal atoms of 0.02
C38 \\sim C56 \\sim C42 \\sim C67 \\sim C41 \\sim C141 \\sim C28 \\sim Ag1
\\sim S1 \\sim P2 \\sim Cd1 \\sim C7 \\sim C30 \\sim P1 \\sim Cl4A \\sim C25
\\sim C44 \\sim C37 \\sim C45 \\sim C2 \\sim C14 \\sim C29 \\sim C66 \\sim C32
\\sim C34 \\sim C48 \\sim C40 \\sim C3 \\sim C8 \\sim C16 \\sim C20 \\sim C27
\\sim C70 \\sim H48 \\sim C47 \\sim C65 \\sim C24 \\sim C12 \\sim C18 \\sim C23
\\sim O29 \\sim H47 \\sim C33 \\sim H65 \\sim C5 \\sim C19 \\sim H33: within
3.8A with sigma of 0.01 and sigma for terminal atoms of 0.02
S2 \\sim Ag2 \\sim Cl1 \\sim C64 \\sim C59 \\sim C61 \\sim C63 \\sim C57 \\sim
C62 \\sim O4 \\sim C49: within 3.8A with sigma of 0.01 and sigma for terminal
atoms of 0.02
C011 \\sim C019 \\sim C02S \\sim C03F \\sim C02I \\sim C015 \\sim C012 \\sim
C014 \\sim C022 \\sim C02M \\sim C02L \\sim C01O \\sim C013 \\sim C017 \\sim
C02B \\sim C02T \\sim C034 \\sim C03I \\sim C027 \\sim C018 \\sim C01Q \\sim
C035 \\sim C02V \\sim C02Y \\sim C02C \\sim C01A \\sim C01B \\sim C01C \\sim
C01D \\sim C01E \\sim C01F \\sim C01G \\sim C01H \\sim C02F \\sim C17 \\sim C22
\\sim C03G \\sim C031 \\sim C01I \\sim C021 \\sim C02U \\sim C039 \\sim C03P
\\sim C02R \\sim C01K \\sim C01L \\sim C01M \\sim C01U \\sim C01W \\sim C026
\\sim C02E \\sim C03H \\sim C52 \\sim C36 \\sim C037 \\sim C029 \\sim C4 \\sim
C7AA \\sim C58 \\sim C03V \\sim C03B \\sim C02A \\sim C02D \\sim C02O \\sim
C02W \\sim C01Z \\sim C01J \\sim C01X \\sim C02G \\sim C01R \\sim C02Z \\sim
C164 \\sim C100 \\sim C03J \\sim C02K \\sim C03N \\sim C31 \\sim C39 \\sim C036
\\sim C02P \\sim C02N \\sim C02Q \\sim C02X \\sim C030 \\sim C01P \\sim C025
\\sim C033 \\sim C03A \\sim C032 \\sim C1 \\sim C45 \\sim C48 \\sim C47 \\sim
C33 \\sim C65 \\sim C40 \\sim C6 \\sim C21 \\sim C4AA \\sim C8AA \\sim C0BA
\\sim C10 \\sim C5AA \\sim C6AA \\sim C9 \\sim C4CA \\sim C5CA \\sim C0CA \\sim
C11 \\sim C46 \\sim C13 \\sim C2CA \\sim C1CA \\sim C3CA \\sim C8CA \\sim C7CA
\\sim C6CA \\sim C15 \\sim C26 \\sim C35 \\sim C51 \\sim C2AA \\sim C129 \\sim
C3AA \\sim C2 \\sim C3 \\sim C24 \\sim C5 \\sim C12 \\sim C8 \\sim C14 \\sim
C16 \\sim C18 \\sim C19 \\sim C23 \\sim C20 \\sim C25 \\sim C29 \\sim C27 \\sim
C66 \\sim C28 \\sim C7 \\sim C30 \\sim C44 \\sim C32 \\sim C70 \\sim C34 \\sim
C37 \\sim C56 \\sim C42 \\sim C67 \\sim C141 \\sim C41 \\sim C38 \\sim C63
\\sim C59 \\sim C64 \\sim C61 \\sim C57 \\sim C62 \\sim C49 \\sim O00Z \\sim
O01N \\sim O01S \\sim O01V \\sim O023 \\sim O024 \\sim O02H \\sim O02J \\sim
O03C \\sim O03K \\sim O3 \\sim O2 \\sim O1 \\sim O4 \\sim O29: within 3.8A with
sigma of 0.01 and sigma for terminal atoms of 0.02
5. Others
 Fixed Sof: C02A(0.5) H02A(0.5) C02X(0.5) H02X(0.5) Ag1(0.13333) Ag2(0.4)
 Cd1(0.4) S1(0.4) S2(0.4) P2(0.13333) Cl4A(0.4) P1(0.4) C45(0.4) C48(0.4)
 H48(0.4) C47(0.4) H47(0.4) C33(0.4) H33(0.4) C65(0.4) H65(0.4) C40(0.4)
 H40(0.4) Cl1(0.13333) C5AA(0.5) C6AA(0.5) H6AA(0.5) C9(0.5) H9(0.5) C4CA(0.5)
 C5CA(0.5) H5CA(0.5) C0CA(0.5) H0CA(0.5) O3(0.5) C11(0.5) H11(0.5) C46(0.5)
 C13(0.5) H13(0.5) C2CA(0.5) H2CA(0.5) C1CA(0.5) C3CA(0.5) H3CA(0.5) O2(0.5)
 C8CA(0.5) H8CA(0.5) C7CA(0.5) H7CA(0.5) C6CA(0.5) H6CA(0.5) C15(0.5) H15(0.5)
 C35(0.5) H35(0.5) C51(0.5) H51(0.5) C2AA(0.5) H2AA(0.5) H2AB(0.5) H2AC(0.5)
 C129(0.5) H12A(0.5) H12B(0.5) H12C(0.5) C2(0.4) C3(0.4) H3(0.4) C24(0.4)
 H24(0.4) C5(0.4) H5(0.4) C12(0.4) H12(0.4) C8(0.4) H8(0.4) C14(0.4) C16(0.4)
 H16(0.4) C18(0.4) H18(0.4) C19(0.4) H19(0.4) C23(0.4) H23(0.4) C20(0.4)
 H20(0.4) C25(0.4) H25(0.4) C29(0.4) H29(0.4) C27(0.4) C66(0.4) H66(0.4)
 C28(0.4) H28(0.4) C7(0.4) C30(0.2) C44(0.2) H44(0.2) C32(0.2) H32(0.2)
 C70(0.2) H70(0.2) C34(0.2) H34(0.2) C37(0.2) H37(0.2) C56(0.2) C42(0.2)
 C67(0.2) C141(0.2) C41(0.2) C38(0.2) C63(0.4) H63(0.4) C59(0.4) H59(0.4)
 C64(0.4) C61(0.4) H61(0.4) C57(0.4) H57(0.4) C62(0.4) O4(0.4) O29(0.4)
 C49(0.4) H49A(0.4) H49B(0.4) H49C(0.4)
6.a Riding coordinates:
 C3AA(H3AA,H3AB,H3AC), C49(H49A,H49B,H49C)
6.b Aromatic/amide H refined with riding coordinates:
 C019(H019), C02S(H02S), C02I(H02I), C015(H015), C014(H014), C022(H022),
 C02L(H02L), C01O(H01O), C02B(H02B), C02T(H02T), C03I(H03I), C027(H027),
 C01Q(H01Q), C035(H035), C02V(H02V), C02Y(H02Y), C02C(H02C), C01A(H01A),
 C01B(H01B), C01C(H01C), C01D(H01D), C01E(H01E), C01G(H01G), C02F(H02F),
 C17(H17), C03G(H03G), C031(H031), C021(H021), C02U(H02U), C03P(H03P),
 C02R(H02R), C01K(H01K), C01L(H01L), C01M(H01M), C02E(H02E), C03H(H03H),
 C52(H52), C36(H36), C037(H037), C4(H4), C7AA(H7AA), C58(H58), C03V(H03V),
 C03B(H03B), C02A(H02A), C02D(H02D), C02O(H02O), C01Z(H01Z), C01J(H01J),
 C01R(H01R), C02Z(H02Z), C100(H100), C03J(H03J), C03N(H03N), C31(H31),
 C036(H036), C02P(H02P), C02X(H02X), C030(H030), C025(H025), C033(H033),
 C032(H032), C48(H48), C47(H47), C33(H33), C65(H65), C40(H40), C6AA(H6AA),
 C9(H9), C5CA(H5CA), C0CA(H0CA), C11(H11), C13(H13), C2CA(H2CA), C3CA(H3CA),
 C8CA(H8CA), C7CA(H7CA), C6CA(H6CA), C15(H15), C35(H35), C51(H51), C3(H3),
 C24(H24), C5(H5), C12(H12), C8(H8), C16(H16), C18(H18), C19(H19), C23(H23),
 C20(H20), C25(H25), C29(H29), C66(H66), C28(H28), C44(H44), C32(H32), C70(H70),
  C34(H34), C37(H37), C63(H63), C59(H59), C61(H61), C57(H57)
6.c Fitted hexagon refined as free rotating group:
 C011(C019,C02S,C03F,C02I,C015), C012(C014,C022,C02M,C02L,C01O), C017(C02B,
 C02T,C034,C03I,C027), C018(C01Q,C035,C02V,C02Y,C02C), C01H(C02F,C17,C22,C03G,
 C031), C01I(C021,C02U,C039,C03P,C02R), C026(C02E,C03H,C52,C36,C037), C029(C4,
 C7AA,C58,C03V,C03B), C02D(C02O,C02W,C01Z,C01J,C01X), C02G(C01R,C02Z,C164,C100,
 C03J), C02K(C03N,C31,C39,C036,C02P), C030(C01P,C025,C033,C03A,C032), C45(C48,
 C47,C33,C65,C40), C5AA(C6AA,C9,C4CA,C5CA,C0CA), C11(C46,C13,C2CA,C1CA,C3CA),
 C2(C3,C24,C5,C12,C8), C14(C16,C18,C19,C23,C20), C25(C29,C27,C66,C28,C7),
 C30(C44,C32,C70,C34,C37), C56(C42,C67,C141,C41,C38), C63(C59,C64,C61,C57,C62)
6.d Idealised Me refined as rotating group:
 C02N(H02G,H02H,H02J), C1(H1A,H1B,H1C), C6(H6A,H6B,H6C), C21(H21A,H21B,H21C),
 C4AA(H4AA,H4AB,H4AC), C8AA(H8AA,H8AB,H8AC), C0BA(H0BA,H0BB,H0BC), C10(H10A,
 H10B,H10C), C26(H26A,H26B,H26C), C2AA(H2AA,H2AB,H2AC), C129(H12A,H12B,H12C)
;
_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
Ag6 Ag 0.333333 0.666667 0.22096(3) 0.030 Uani 1 3 d S T P . .
Ag4 Ag 0.38871(2) 0.68172(2) 0.30347(2) 0.030 Uani 1 1 d . . . . .
Ag8 Ag 0.37155(2) 0.59376(2) 0.30554(2) 0.034 Uani 1 1 d . . . . .
Ag7 Ag 0.33559(2) 0.61580(2) 0.38595(2) 0.033 Uani 1 1 d . . . . .
Ag12 Ag 0.29902(2) 0.56319(2) 0.22944(2) 0.034 Uani 1 1 d . . . . .
Cd3 Cd 0.25401(2) 0.59313(2) 0.50946(2) 0.037 Uani 1 1 d . . . . .
Ag9 Ag 0.39625(2) 0.63957(2) 0.21108(2) 0.034 Uani 1 1 d . . . . .
Ag10 Ag 0.23334(2) 0.56460(2) 0.37874(2) 0.035 Uani 1 1 d . . . . .
Ag13 Ag 0.31989(2) 0.61220(2) 0.14056(2) 0.036 Uani 1 1 d . . . . .
Ag11 Ag 0.27753(2) 0.52295(2) 0.32680(2) 0.036 Uani 1 1 d . . . . .
Ag5 Ag 0.46644(2) 0.67352(2) 0.28368(2) 0.035 Uani 1 1 d . . . . .
Cd2 Cd 0.33106(2) 0.46048(2) 0.26373(2) 0.041 Uani 1 1 d . . . . .
Ag3 Ag 0.333333 0.666667 0.62774(4) 0.040 Uani 1 3 d S T P . .
Cd4 Cd 0.47028(2) 0.57342(2) 0.23482(2) 0.044 Uani 1 1 d . . . . .
Cd5 Cd 0.36023(3) 0.52738(2) 0.12320(2) 0.046 Uani 1 1 d . . . . .
Ag14 Ag 0.42121(3) 0.44798(3) 0.16747(3) 0.052 Uani 1 1 d . . . . .
S12 S 0.32863(7) 0.59852(7) 0.47382(7) 0.037 Uani 1 1 d . . . . .
S10 S 0.40048(8) 0.53813(8) 0.29246(7) 0.039 Uani 1 1 d . . . . .
S13 S 0.19032(8) 0.53776(8) 0.45586(7) 0.041 Uani 1 1 d . . . . .
S7 S 0.30589(8) 0.49615(8) 0.19671(7) 0.041 Uani 1 1 d . . . . .
S14 S 0.26033(8) 0.59098(8) 0.59676(7) 0.040 Uani 1 1 d . . . . .
S9 S 0.42775(8) 0.59422(8) 0.17019(8) 0.044 Uani 1 1 d . . . . .
S8 S 0.31367(9) 0.55523(8) 0.07924(7) 0.044 Uani 1 1 d . . . . .
S11 S 0.52724(8) 0.65499(8) 0.25883(9) 0.047 Uani 1 1 d . . . . .
S6 S 0.27743(8) 0.44759(8) 0.33208(8) 0.043 Uani 1 1 d . . . . .
P4 P 0.333333 0.666667 0.71714(13) 0.041 Uani 1 3 d S T P . .
S5 S 0.49040(9) 0.51388(9) 0.21485(9) 0.052 Uani 1 1 d . . . . .
P3 P 0.44676(10) 0.39380(9) 0.13647(8) 0.048 Uani 1 1 d . . . . .
S3 S 0.35357(9) 0.40653(9) 0.22930(9) 0.051 Uani 1 1 d . . . . .
S4 S 0.39303(11) 0.47885(10) 0.09841(8) 0.057 Uani 1 1 d . . . . .
O00Z O 0.0932(2) 0.5945(3) 0.6691(3) 0.064 Uani 1 1 d . U . . .
C011 C 0.3207(3) 0.5424(2) 0.4856(2) 0.059 Uani 1 1 d . U . . .
C019 C 0.3323(3) 0.5326(2) 0.5299(2) 0.066 Uani 1 1 d G U . . .
H019 H 0.345219 0.556044 0.553579 0.080 Uiso 1 1 calc R . . . .
C02S C 0.3249(3) 0.4884(2) 0.5395(2) 0.074 Uani 1 1 d G U . . .
H02S H 0.332820 0.481678 0.569749 0.089 Uiso 1 1 calc R . . . .
C03F C 0.3059(3) 0.4541(2) 0.5048(3) 0.081 Uani 1 1 d G U . . .
C02I C 0.2943(3) 0.4639(2) 0.4605(2) 0.083 Uani 1 1 d G U . . .
H02I H 0.281378 0.440455 0.436806 0.100 Uiso 1 1 calc R . . . .
C015 C 0.3017(3) 0.5081(3) 0.45090(19) 0.073 Uani 1 1 d G U . . .
H015 H 0.293778 0.514821 0.420635 0.088 Uiso 1 1 calc R . . . .
C012 C 0.4144(3) 0.5224(3) 0.34837(17) 0.059 Uani 1 1 d . U . . .
C014 C 0.4042(3) 0.5373(3) 0.3905(2) 0.068 Uani 1 1 d G U . . .
H014 H 0.389259 0.555313 0.389600 0.082 Uiso 1 1 calc R . . . .
C022 C 0.4157(3) 0.5258(3) 0.43395(18) 0.073 Uani 1 1 d G U . . .
H022 H 0.408662 0.535928 0.462743 0.088 Uiso 1 1 calc R . . . .
C02M C 0.4375(3) 0.4994(3) 0.43526(18) 0.073 Uani 1 1 d G U . . .
C02L C 0.4478(3) 0.4846(3) 0.3931(2) 0.072 Uani 1 1 d G U . . .
H02L H 0.462653 0.466548 0.394032 0.086 Uiso 1 1 calc R . . . .
C01O C 0.4362(3) 0.4961(3) 0.34968(18) 0.065 Uani 1 1 d G U . . .
H01O H 0.443251 0.485933 0.320889 0.079 Uiso 1 1 calc R . . . .
C013 C 0.3872(3) 0.7107(3) 0.7444(3) 0.046 Uani 1 1 d . U . . .
C017 C 0.2511(2) 0.4497(2) 0.1786(3) 0.066 Uani 1 1 d . U . . .
C02B C 0.2105(3) 0.4447(3) 0.1984(3) 0.079 Uani 1 1 d G U . . .
H02B H 0.212103 0.466083 0.221708 0.095 Uiso 1 1 calc R . . . .
C02T C 0.1677(2) 0.4084(3) 0.1840(3) 0.083 Uani 1 1 d G U . . .
H02T H 0.139975 0.404926 0.197539 0.100 Uiso 1 1 calc R . . . .
C034 C 0.1654(2) 0.3771(3) 0.1499(3) 0.085 Uani 1 1 d G U . . .
C03I C 0.2060(3) 0.3821(3) 0.1301(3) 0.088 Uani 1 1 d G U . . .
H03I H 0.204408 0.360685 0.106747 0.106 Uiso 1 1 calc R . . . .
C027 C 0.2488(2) 0.4184(3) 0.1444(3) 0.080 Uani 1 1 d G U . . .
H027 H 0.276536 0.421841 0.130916 0.096 Uiso 1 1 calc R . . . .
C018 C 0.4830(3) 0.3853(3) 0.1797(2) 0.066 Uani 1 1 d . U . . .
C01Q C 0.4730(2) 0.3415(2) 0.1950(3) 0.072 Uani 1 1 d G U . . .
H01Q H 0.447179 0.314567 0.181951 0.087 Uiso 1 1 calc R . . . .
C035 C 0.5006(3) 0.3370(2) 0.2292(3) 0.081 Uani 1 1 d G U . . .
H035 H 0.493749 0.307076 0.239620 0.097 Uiso 1 1 calc R . . . .
C02V C 0.5383(3) 0.3764(3) 0.2482(2) 0.077 Uani 1 1 d G U . . .
H02V H 0.557248 0.373351 0.271650 0.093 Uiso 1 1 calc R . . . .
C02Y C 0.5484(2) 0.4202(2) 0.2330(3) 0.075 Uani 1 1 d G U . . .
H02Y H 0.574177 0.447117 0.246012 0.090 Uiso 1 1 calc R . . . .
C02C C 0.5207(3) 0.4247(2) 0.1988(3) 0.068 Uani 1 1 d G U . . .
H02C H 0.527607 0.454609 0.188343 0.082 Uiso 1 1 calc R . . . .
C01A C 0.3885(4) 0.7381(4) 0.7821(3) 0.053 Uani 1 1 d . U . . .
H01A H 0.360416 0.734449 0.794937 0.063 Uiso 1 1 calc R . . . .
C01B C 0.2132(3) 0.6283(4) 0.6429(3) 0.046 Uani 1 1 d . U . . .
H01B H 0.243099 0.653943 0.649429 0.055 Uiso 1 1 calc R . . . .
C01C C 0.4714(4) 0.7773(4) 0.7824(3) 0.052 Uani 1 1 d . U . . .
H01C H 0.500335 0.800189 0.795216 0.062 Uiso 1 1 calc R . . . .
C01D C 0.4298(3) 0.7176(3) 0.7257(3) 0.047 Uani 1 1 d . U . . .
H01D H 0.429537 0.699171 0.699678 0.056 Uiso 1 1 calc R . . . .
C01E C 0.1744(3) 0.6289(4) 0.6599(3) 0.051 Uani 1 1 d . U . . .
H01E H 0.177664 0.654408 0.678128 0.061 Uiso 1 1 calc R . . . .
C01F C 0.2098(3) 0.5914(3) 0.6165(3) 0.042 Uani 1 1 d . U . . .
C01G C 0.1652(3) 0.5537(4) 0.6069(3) 0.050 Uani 1 1 d . U . . .
H01G H 0.161951 0.527833 0.589235 0.061 Uiso 1 1 calc R . . . .
C01H C 0.1857(3) 0.4833(2) 0.4687(3) 0.074 Uani 1 1 d . U . . .
C02F C 0.1936(3) 0.4725(3) 0.5142(2) 0.081 Uani 1 1 d G U . . .
H02F H 0.202926 0.494820 0.538943 0.097 Uiso 1 1 calc R . . . .
C17 C 0.1880(4) 0.4289(3) 0.5235(2) 0.092 Uani 1 1 d G U . . .
H17 H 0.193433 0.421473 0.554597 0.111 Uiso 1 1 calc R . . . .
C22 C 0.1744(4) 0.3962(2) 0.4873(3) 0.095 Uani 1 1 d G U . . .
C03G C 0.1665(4) 0.4071(3) 0.4418(3) 0.098 Uani 1 1 d G U . . .
H03G H 0.157218 0.384705 0.417030 0.117 Uiso 1 1 calc R . . . .
C031 C 0.1721(4) 0.4506(3) 0.4325(2) 0.088 Uani 1 1 d G U . . .
H031 H 0.166710 0.458052 0.401375 0.106 Uiso 1 1 calc R . . . .
C01I C 0.2224(2) 0.4026(2) 0.3097(3) 0.068 Uani 1 1 d . U . . .
C021 C 0.1822(3) 0.4047(2) 0.3174(3) 0.078 Uani 1 1 d G U . . .
H021 H 0.183814 0.430467 0.333648 0.094 Uiso 1 1 calc R . . . .
C02U C 0.1397(2) 0.3690(3) 0.3013(3) 0.083 Uani 1 1 d G U . . .
H02U H 0.112273 0.370479 0.306569 0.099 Uiso 1 1 calc R . . . .
C039 C 0.1374(2) 0.3313(3) 0.2775(4) 0.088 Uani 1 1 d G U . . .
C03P C 0.1776(3) 0.3292(2) 0.2699(3) 0.091 Uani 1 1 d G U . . .
H03P H 0.176028 0.303388 0.253611 0.109 Uiso 1 1 calc R . . . .
C02R C 0.2201(2) 0.3648(3) 0.2859(3) 0.084 Uani 1 1 d G U . . .
H02R H 0.247569 0.363376 0.280690 0.101 Uiso 1 1 calc R . . . .
C01K C 0.1255(4) 0.5543(4) 0.6234(3) 0.054 Uani 1 1 d . U . . .
H01K H 0.095359 0.529201 0.616451 0.065 Uiso 1 1 calc R . . . .
C01L C 0.4709(4) 0.7502(4) 0.7445(3) 0.054 Uani 1 1 d . U . . .
H01L H 0.499206 0.754430 0.731794 0.065 Uiso 1 1 calc R . . . .
C01M C 0.4316(4) 0.7716(4) 0.8013(3) 0.056 Uani 1 1 d . U . . .
H01M H 0.432649 0.790169 0.827452 0.067 Uiso 1 1 calc R . . . .
O01N O 0.1252(3) 0.3415(3) 0.1319(4) 0.103 Uani 1 1 d . U . . .
O01S O 0.4337(3) 0.3609(4) 0.3965(3) 0.092 Uani 1 1 d . U . . .
C01U C 0.1305(3) 0.5913(4) 0.6496(3) 0.052 Uani 1 1 d . U . . .
O01V O 0.4512(3) 0.4874(3) 0.4760(3) 0.083 Uani 1 1 d . U . . .
C01W C 0.4708(3) 0.6318(3) 0.1289(3) 0.072 Uani 1 1 d D U . . .
O023 O 0.5649(4) 0.7138(4) 0.0250(3) 0.102 Uani 1 1 d . U . . .
O024 O 0.2965(4) 0.4099(3) 0.5163(3) 0.098 Uani 1 1 d . U . . .
C026 C 0.4003(3) 0.3361(2) 0.1205(3) 0.074 Uani 1 1 d . U . . .
C02E C 0.3640(3) 0.3130(3) 0.1525(2) 0.080 Uani 1 1 d G U . . .
H02E H 0.365072 0.326497 0.182610 0.096 Uiso 1 1 calc R . . . .
C03H C 0.3261(3) 0.2703(3) 0.1404(3) 0.092 Uani 1 1 d G U . . .
H03H H 0.301278 0.254568 0.162327 0.111 Uiso 1 1 calc R . . . .
C52 C 0.3245(3) 0.2506(3) 0.0964(3) 0.095 Uani 1 1 d G U . . .
H52 H 0.298650 0.221429 0.088136 0.114 Uiso 1 1 calc R . . . .
C36 C 0.3609(3) 0.2737(3) 0.0643(2) 0.101 Uani 1 1 d G U . . .
H36 H 0.359817 0.260219 0.034228 0.121 Uiso 1 1 calc R . . . .
C037 C 0.3988(3) 0.3164(3) 0.0764(3) 0.087 Uani 1 1 d G U . . .
H037 H 0.423613 0.332149 0.054511 0.105 Uiso 1 1 calc R . . . .
C029 C 0.4830(3) 0.4138(3) 0.0837(2) 0.075 Uani 1 1 d . U . . .
C4 C 0.5244(3) 0.4132(3) 0.0798(3) 0.095 Uani 1 1 d G U . . .
H4 H 0.533874 0.400542 0.104758 0.113 Uiso 1 1 calc R . . . .
C7AA C 0.5518(3) 0.4311(4) 0.0394(3) 0.113 Uani 1 1 d G U . . .
H7AA H 0.580038 0.430699 0.036776 0.136 Uiso 1 1 calc R . . . .
C58 C 0.5379(3) 0.4497(4) 0.0029(3) 0.111 Uani 1 1 d G U . . .
H58 H 0.556605 0.461905 -0.024650 0.133 Uiso 1 1 calc R . . . .
C03V C 0.4965(4) 0.4503(3) 0.0068(3) 0.104 Uani 1 1 d G U . . .
H03V H 0.487006 0.462954 -0.018095 0.124 Uiso 1 1 calc R . . . .
C03B C 0.4691(3) 0.4324(3) 0.0472(3) 0.085 Uani 1 1 d G U . . .
H03B H 0.440841 0.432796 0.049886 0.103 Uiso 1 1 calc R . . . .
C02A C 0.5211(6) 0.7069(6) 0.0970(4) 0.077 Uani 0.5 1 d D U . A 1
H02A H 0.533942 0.739649 0.097795 0.093 Uiso 0.5 1 calc R . . A 1
C02D C 0.3503(2) 0.3756(3) 0.3214(3) 0.078 Uani 1 1 d . U . . .
H02D H 0.320198 0.372118 0.322717 0.094 Uiso 1 1 calc R . . . .
C02O C 0.3680(3) 0.3643(3) 0.3607(2) 0.082 Uani 1 1 d G U . . .
H02O H 0.350038 0.353161 0.388956 0.098 Uiso 1 1 calc R . . . .
C02W C 0.4121(3) 0.3693(3) 0.3588(2) 0.077 Uani 1 1 d G U . . .
C01Z C 0.4384(2) 0.3856(3) 0.3175(3) 0.073 Uani 1 1 d G U . . .
H01Z H 0.468498 0.389085 0.316219 0.088 Uiso 1 1 calc R . . . .
C01J C 0.4207(3) 0.3969(3) 0.2782(2) 0.069 Uani 1 1 d G U . . .
H01J H 0.438659 0.408042 0.249979 0.082 Uiso 1 1 calc R . . . .
C01X C 0.3766(3) 0.3919(3) 0.2801(2) 0.068 Uani 1 1 d G U . . .
C02G C 0.3453(3) 0.4320(3) 0.0696(3) 0.080 Uani 1 1 d . U . . .
C01R C 0.3272(3) 0.3866(3) 0.0856(3) 0.082 Uani 1 1 d G U . . .
H01R H 0.340851 0.380217 0.112079 0.099 Uiso 1 1 calc R . . . .
C02Z C 0.2890(3) 0.3506(2) 0.0629(3) 0.099 Uani 1 1 d G U . . .
H02Z H 0.276609 0.319640 0.073851 0.119 Uiso 1 1 calc R . . . .
C164 C 0.2690(3) 0.3600(3) 0.0242(4) 0.110 Uani 1 1 d G U . . .
C100 C 0.2872(4) 0.4054(4) 0.0082(3) 0.113 Uani 1 1 d G U . . .
H100 H 0.273493 0.411756 -0.018299 0.135 Uiso 1 1 calc R . . . .
C03J C 0.3253(3) 0.4413(3) 0.0309(3) 0.100 Uani 1 1 d G U . . .
H03J H 0.337735 0.472335 0.019929 0.120 Uiso 1 1 calc R . . . .
O02H O 0.0928(3) 0.2980(4) 0.2642(4) 0.106 Uani 1 1 d . U . . .
O02J O 0.5914(3) 0.6071(4) 0.4403(4) 0.107 Uani 1 1 d D U . . .
C02K C 0.5380(3) 0.5483(3) 0.1761(3) 0.077 Uani 1 1 d . U . . .
C03N C 0.5348(3) 0.5387(3) 0.1277(3) 0.099 Uani 1 1 d G U . . .
H03N H 0.507607 0.512989 0.115100 0.118 Uiso 1 1 calc R . . . .
C31 C 0.5715(3) 0.5668(3) 0.0976(2) 0.101 Uani 1 1 d G U . . .
H31 H 0.569304 0.560203 0.064534 0.121 Uiso 1 1 calc DR . . . .
C39 C 0.6113(3) 0.6044(3) 0.1160(3) 0.102 Uani 1 1 d G U . . .
C036 C 0.6145(3) 0.6141(3) 0.1644(3) 0.097 Uani 1 1 d G U . . .
H036 H 0.641714 0.639799 0.176990 0.116 Uiso 1 1 calc R . . . .
C02P C 0.5778(3) 0.5860(3) 0.1945(2) 0.095 Uani 1 1 d G U . . .
H02P H 0.580016 0.592587 0.227556 0.114 Uiso 1 1 calc R . . . .
C02N C 0.0480(4) 0.5553(4) 0.6650(4) 0.071 Uani 1 1 d . U . . .
H02G H 0.040777 0.547141 0.631396 0.107 Uiso 1 1 calc GR . . . .
H02H H 0.025332 0.562720 0.678625 0.107 Uiso 1 1 calc GR . . . .
H02J H 0.046660 0.529066 0.682253 0.107 Uiso 1 1 calc GR . . . .
C02Q C 0.5343(4) 0.6872(3) 0.0610(4) 0.085 Uani 1 1 d D U . . .
C02X C 0.4895(6) 0.6796(3) 0.1317(6) 0.076 Uani 0.5 1 d D U . A 1
H02X H 0.480931 0.693128 0.156603 0.092 Uiso 0.5 1 calc R . . A 1
C030 C 0.5924(3) 0.6470(3) 0.3159(3) 0.088 Uani 1 1 d . U . . .
H030 H 0.612404 0.658323 0.289162 0.106 Uiso 1 1 calc R . . . .
C01P C 0.5481(3) 0.6412(3) 0.3134(2) 0.075 Uani 1 1 d G U . . .
C025 C 0.5187(2) 0.6246(3) 0.3526(3) 0.079 Uani 1 1 d G U . . .
H025 H 0.488431 0.620721 0.350929 0.095 Uiso 1 1 calc R . . . .
C033 C 0.5337(3) 0.6137(3) 0.3943(2) 0.086 Uani 1 1 d G U . . .
H033 H 0.513614 0.602394 0.421109 0.103 Uiso 1 1 calc R . . . .
C03A C 0.5780(3) 0.6195(3) 0.3968(3) 0.092 Uani 1 1 d DG U . . .
C032 C 0.6073(2) 0.6361(3) 0.3576(3) 0.088 Uani 1 1 d G U . . .
H032 H 0.637587 0.639995 0.359342 0.105 Uiso 1 1 calc R . . . .
O03C O 0.6477(4) 0.6423(4) 0.0901(4) 0.117 Uani 1 1 d . U . . .
O03K O 0.2300(4) 0.3210(4) 0.0041(4) 0.129 Uani 1 1 d . U . . .
C1 C 0.5701(6) 0.7586(5) 0.0142(6) 0.106 Uani 1 1 d . U . . .
H1A H 0.594356 0.774100 -0.009961 0.159 Uiso 1 1 calc GR . . . .
H1B H 0.578929 0.777570 0.043107 0.159 Uiso 1 1 calc GR . . . .
H1C H 0.540703 0.754516 0.002060 0.159 Uiso 1 1 calc GR . . . .
Ag1 Ag 0.000000 0.000000 0.60106(15) 0.076 Uani 0.4 3 d S TU P B 1
Ag2 Ag 0.08346(8) 0.05537(8) 0.47760(9) 0.070 Uani 0.4 1 d . U . C 2
Cd1 Cd 0.02437(10) 0.13839(9) 0.50998(11) 0.094 Uani 0.4 1 d . U . B 1
S1 S -0.0157(3) 0.0603(3) 0.5581(3) 0.084 Uani 0.4 1 d D U . B 1
S2 S 0.0925(3) 0.1326(3) 0.4697(4) 0.099 Uani 0.4 1 d D U . C 2
P2 P 0.000000 0.000000 0.6874(7) 0.107 Uani 0.4 3 d S TU P B 1
Cl4A Cl -0.0440(4) 0.1039(4) 0.4450(4) 0.116 Uani 0.4 1 d D U . B 1
P1 P 0.0293(5) 0.2098(4) 0.5359(5) 0.116 Uani 0.4 1 d . U . B 1
C45 C -0.0215(10) 0.2085(12) 0.5722(13) 0.142 Uani 0.4 1 d . U . B 1
C48 C -0.0211(11) 0.2321(11) 0.6131(13) 0.151 Uani 0.4 1 d G U . B 1
H48 H 0.007476 0.252937 0.628054 0.181 Uiso 0.4 1 calc R U . B 1
C47 C -0.0626(15) 0.2253(11) 0.6322(10) 0.155 Uani 0.4 1 d G U . B 1
H47 H -0.062402 0.241383 0.660236 0.186 Uiso 0.4 1 calc R U . B 1
C33 C -0.1045(11) 0.1948(12) 0.6104(12) 0.148 Uani 0.4 1 d G U . B 1
H33 H -0.132891 0.190099 0.623478 0.178 Uiso 0.4 1 calc R U . B 1
C65 C -0.1049(10) 0.1712(10) 0.5695(12) 0.144 Uani 0.4 1 d G U . B 1
H65 H -0.133502 0.150367 0.554538 0.172 Uiso 0.4 1 calc R U . B 1
C40 C -0.0634(13) 0.1780(11) 0.5503(9) 0.138 Uani 0.4 1 d G U . B 1
H40 H -0.063625 0.161920 0.522354 0.165 Uiso 0.4 1 calc R . . B 1
C6 C 0.0823(5) 0.3390(6) 0.1492(6) 0.120 Uani 1 1 d . U . . .
H6A H 0.057968 0.324283 0.125016 0.179 Uiso 1 1 calc GR . . . .
H6B H 0.088019 0.370354 0.155727 0.179 Uiso 1 1 calc GR . . . .
H6C H 0.072186 0.320543 0.178533 0.179 Uiso 1 1 calc GR . . . .
C21 C 0.0890(6) 0.2601(6) 0.2321(7) 0.134 Uani 1 1 d . U . . .
H21A H 0.102597 0.243422 0.247964 0.201 Uiso 1 1 calc GR . . . .
H21B H 0.105723 0.273722 0.202416 0.201 Uiso 1 1 calc GR . . . .
H21C H 0.056250 0.238420 0.225097 0.201 Uiso 1 1 calc GR . . . .
Cl1 Cl 0.000000 0.000000 0.4458(5) 0.067 Uani 0.4 3 d S TU P C 2
C4AA C 0.4536(6) 0.5139(6) 0.5185(5) 0.102 Uani 1 1 d . U . . .
H4AA H 0.472389 0.547171 0.511691 0.154 Uiso 1 1 calc GR . . . .
H4AB H 0.467690 0.505772 0.544595 0.154 Uiso 1 1 calc GR . . . .
H4AC H 0.422152 0.506508 0.527577 0.154 Uiso 1 1 calc GR . . . .
C8AA C 0.2128(8) 0.3297(7) -0.0474(7) 0.168 Uani 1 1 d . U . . .
H8AA H 0.185130 0.301112 -0.057748 0.252 Uiso 1 1 calc GR . . . .
H8AB H 0.237586 0.338674 -0.070842 0.252 Uiso 1 1 calc GR . . . .
H8AC H 0.205238 0.354556 -0.044322 0.252 Uiso 1 1 calc GR . . . .
C0BA C 0.2831(7) 0.3752(6) 0.4751(6) 0.133 Uani 1 1 d . U . . .
H0BA H 0.297026 0.392108 0.445547 0.200 Uiso 1 1 calc GR . . . .
H0BB H 0.249196 0.357805 0.471766 0.200 Uiso 1 1 calc GR . . . .
H0BC H 0.294368 0.353671 0.481679 0.200 Uiso 1 1 calc GR . . . .
C10 C 0.4106(6) 0.3449(7) 0.4412(6) 0.126 Uani 1 1 d . U . . .
H10A H 0.383779 0.313629 0.437315 0.188 Uiso 1 1 calc GR . . . .
H10B H 0.400023 0.365972 0.452341 0.188 Uiso 1 1 calc GR . . . .
H10C H 0.432083 0.344063 0.464434 0.188 Uiso 1 1 calc GR . . . .
C5AA C 0.3519(5) 0.5914(5) 0.0314(4) 0.058 Uani 0.5 1 d . U . D 2
C6AA C 0.3369(4) 0.5812(4) -0.0155(5) 0.066 Uani 0.5 1 d G U . D 2
H6AA H 0.307593 0.554930 -0.022559 0.079 Uiso 0.5 1 calc R . . D 2
C9 C 0.3648(5) 0.6096(5) -0.0521(3) 0.066 Uani 0.5 1 d G U . D 2
H9 H 0.354523 0.602647 -0.084147 0.079 Uiso 0.5 1 calc R . . D 2
C4CA C 0.4077(5) 0.6481(5) -0.0418(4) 0.067 Uani 0.5 1 d DG U . D 2
C5CA C 0.4227(4) 0.6583(5) 0.0051(4) 0.071 Uani 0.5 1 d G U . D 2
H5CA H 0.451975 0.684568 0.012146 0.085 Uiso 0.5 1 calc R . . D 2
C0CA C 0.3948(5) 0.6299(5) 0.0417(3) 0.068 Uani 0.5 1 d G U . D 2
H0CA H 0.405047 0.636851 0.073735 0.082 Uiso 0.5 1 calc R . . D 2
O3 O 0.4015(6) 0.6334(5) -0.1052(5) 0.069 Uani 0.5 1 d D U . D 1
C11 C 0.3689(5) 0.6291(4) 0.0205(4) 0.066 Uani 0.5 1 d . U . D 1
H11 H 0.374723 0.649171 0.046779 0.080 Uiso 0.5 1 calc R . . D 1
C46 C 0.3407(4) 0.5814(5) 0.0260(3) 0.060 Uani 0.5 1 d G U . D 1
C13 C 0.3322(4) 0.5520(4) -0.0125(5) 0.065 Uani 0.5 1 d G U . D 1
H13 H 0.312909 0.519382 -0.008761 0.078 Uiso 0.5 1 calc R . . D 1
C2CA C 0.3520(5) 0.5702(5) -0.0565(4) 0.065 Uani 0.5 1 d G U . D 1
H2CA H 0.346169 0.550134 -0.082847 0.078 Uiso 0.5 1 calc R . . D 1
C1CA C 0.3802(5) 0.6179(5) -0.0620(4) 0.065 Uani 0.5 1 d G U . D 1
C3CA C 0.3887(5) 0.6473(4) -0.0235(5) 0.067 Uani 0.5 1 d G U . D 1
H3CA H 0.407984 0.679923 -0.027308 0.080 Uiso 0.5 1 calc R . . D 1
O2 O 0.4394(6) 0.6792(6) -0.0757(4) 0.071 Uani 0.5 1 d D U . D 2
C8CA C 0.5108(5) 0.6293(7) 0.1215(7) 0.085 Uani 0.5 1 d D U . A 2
H8CA H 0.516100 0.608388 0.139797 0.102 Uiso 0.5 1 calc R . . A 2
C7CA C 0.5431(7) 0.6571(6) 0.0874(6) 0.091 Uani 0.5 1 d D U . A 2
H7CA H 0.570531 0.655541 0.082320 0.109 Uiso 0.5 1 calc R . . A 2
C6CA C 0.4872(6) 0.6122(6) 0.0962(5) 0.088 Uani 0.5 1 d D U . A 1
H6CA H 0.477538 0.580048 0.097868 0.106 Uiso 0.5 1 calc R . . A 1
C15 C 0.5180(7) 0.6397(3) 0.0609(7) 0.088 Uani 0.5 1 d D U . A 1
H15 H 0.527633 0.626244 0.036886 0.105 Uiso 0.5 1 calc R . . A 1
C26 C 0.6356(6) 0.6368(7) 0.0383(6) 0.151 Uani 1 1 d . U . . .
H26A H 0.662459 0.659565 0.019935 0.227 Uiso 1 1 calc GR . . . .
H26B H 0.609380 0.641918 0.033034 0.227 Uiso 1 1 calc GR . . . .
H26C H 0.627144 0.605409 0.028060 0.227 Uiso 1 1 calc DGR . . . .
C35 C 0.4690(6) 0.6685(4) 0.1076(5) 0.083 Uani 0.5 1 d D U . A 2
H35 H 0.443413 0.672639 0.114908 0.099 Uiso 0.5 1 calc R . . A 2
C51 C 0.5023(5) 0.6997(6) 0.0762(6) 0.085 Uani 0.5 1 d D U . A 2
H51 H 0.503101 0.727300 0.065898 0.102 Uiso 0.5 1 calc R . . A 2
C2AA C 0.4251(9) 0.6733(8) -0.1260(4) 0.077 Uani 0.5 1 d D U . D 2
H2AA H 0.392530 0.665322 -0.128133 0.116 Uiso 0.5 1 calc GR . . D 2
H2AB H 0.428770 0.648437 -0.140216 0.116 Uiso 0.5 1 calc GR . . D 2
H2AC H 0.444548 0.702384 -0.143243 0.116 Uiso 0.5 1 calc GR . . D 2
C129 C 0.4300(10) 0.6840(6) -0.1109(8) 0.078 Uani 0.5 1 d D U . D 1
H12A H 0.413189 0.695242 -0.130403 0.117 Uiso 0.5 1 calc GR . . D 1
H12B H 0.459316 0.691697 -0.126500 0.117 Uiso 0.5 1 calc GR . . D 1
H12C H 0.436438 0.698926 -0.079557 0.117 Uiso 0.5 1 calc GR . . D 1
C3AA C 0.6351(4) 0.6105(6) 0.4506(5) 0.163 Uani 1 1 d D U . . .
H3AA H 0.651847 0.613612 0.420895 0.245 Uiso 1 1 d R . . . .
H3AB H 0.631117 0.583262 0.468095 0.245 Uiso 1 1 d R . . . .
H3AC H 0.652807 0.638372 0.470025 0.245 Uiso 1 1 d R . . . .
C2 C 0.0748(10) 0.2433(11) 0.5788(11) 0.130 Uani 0.4 1 d . U . B 1
C3 C 0.1079(12) 0.2897(11) 0.5722(9) 0.135 Uani 0.4 1 d G U . B 1
H3 H 0.106228 0.306028 0.545256 0.162 Uiso 0.4 1 calc R . . B 1
C24 C 0.1435(10) 0.3123(8) 0.6051(12) 0.139 Uani 0.4 1 d G U . B 1
H24 H 0.166187 0.343986 0.600618 0.166 Uiso 0.4 1 calc R . . B 1
C5 C 0.1460(10) 0.2884(11) 0.6445(10) 0.140 Uani 0.4 1 d G U . B 1
H5 H 0.170349 0.303778 0.667006 0.168 Uiso 0.4 1 calc R . . B 1
C12 C 0.1129(12) 0.2419(11) 0.6511(9) 0.140 Uani 0.4 1 d G U . B 1
H12 H 0.114552 0.225612 0.678032 0.168 Uiso 0.4 1 calc R . . B 1
C8 C 0.0772(10) 0.2194(8) 0.6182(12) 0.139 Uani 0.4 1 d G U . B 1
H8 H 0.054594 0.187652 0.622670 0.166 Uiso 0.4 1 calc R . . B 1
O1 O 0.1652(5) 0.3491(4) 0.4982(5) 0.143 Uani 1 1 d . U . . .
C14 C 0.0444(11) 0.2526(10) 0.4908(9) 0.124 Uani 0.4 1 d . U . B 1
C16 C 0.0571(11) 0.2434(9) 0.4468(11) 0.121 Uani 0.4 1 d G U . B 1
H16 H 0.061967 0.217738 0.443152 0.146 Uiso 0.4 1 calc R . . B 1
C18 C 0.0628(11) 0.2718(10) 0.4081(9) 0.125 Uani 0.4 1 d G U . B 1
H18 H 0.071519 0.265546 0.378030 0.150 Uiso 0.4 1 calc R . . B 1
C19 C 0.0558(12) 0.3094(10) 0.4134(9) 0.122 Uani 0.4 1 d G U . B 1
H19 H 0.059650 0.328788 0.387006 0.146 Uiso 0.4 1 calc R . . B 1
C23 C 0.0430(12) 0.3185(9) 0.4575(11) 0.122 Uani 0.4 1 d G U . B 1
H23 H 0.038229 0.344224 0.461105 0.146 Uiso 0.4 1 calc R . . B 1
C20 C 0.0374(11) 0.2901(11) 0.4961(9) 0.125 Uani 0.4 1 d G U . B 1
H20 H 0.028676 0.296416 0.526228 0.151 Uiso 0.4 1 calc R . . B 1
C25 C -0.0634(7) 0.0935(5) 0.6120(7) 0.122 Uani 0.4 1 d D U . B 1
H25 H -0.039004 0.123473 0.603388 0.146 Uiso 0.4 1 calc R . . B 1
C29 C -0.0992(8) 0.0889(6) 0.6411(8) 0.126 Uani 0.4 1 d DG U . B 1
H29 H -0.099407 0.115724 0.652297 0.152 Uiso 0.4 1 calc R . . B 1
C27 C -0.1349(6) 0.0450(6) 0.6537(7) 0.119 Uani 0.4 1 d DG U . B 1
C66 C -0.1346(6) 0.0057(5) 0.6373(5) 0.119 Uani 0.4 1 d DG U . B 1
H66 H -0.158959 -0.024312 0.645935 0.143 Uiso 0.4 1 calc R . . B 1
C28 C -0.0987(7) 0.0103(5) 0.6082(5) 0.111 Uani 0.4 1 d DG U . B 1
H28 H -0.098556 -0.016564 0.597027 0.134 Uiso 0.4 1 calc R . . B 1
C7 C -0.0631(5) 0.0542(5) 0.5956(4) 0.107 Uani 0.4 1 d G U . B 1
C30 C -0.0460(13) -0.0040(15) 0.7145(17) 0.111 Uani 0.2 1 d . U . B 1
C44 C -0.0684(17) 0.0179(16) 0.6947(11) 0.113 Uani 0.2 1 d G U . B 1
H44 H -0.057708 0.034193 0.665520 0.136 Uiso 0.2 1 calc R . . B 1
C32 C -0.1064(16) 0.0158(14) 0.7177(9) 0.115 Uani 0.2 1 d G U . B 1
H32 H -0.121670 0.030711 0.704195 0.138 Uiso 0.2 1 calc DR . . B 1
C70 C -0.1220(12) -0.0081(9) 0.7604(10) 0.115 Uani 0.2 1 d G U . B 1
H70 H -0.147928 -0.009522 0.776146 0.138 Uiso 0.2 1 calc R . . B 1
C34 C -0.0996(18) -0.0299(13) 0.7802(14) 0.113 Uani 0.2 1 d G U . B 1
H34 H -0.110225 -0.046273 0.809424 0.136 Uiso 0.2 1 calc R . . B 1
C37 C -0.0616(17) -0.0279(16) 0.7572(19) 0.113 Uani 0.2 1 d G U . B 1
H37 H -0.046262 -0.042791 0.770750 0.136 Uiso 0.2 1 calc R . . B 1
C56 C -0.091(2) -0.0141(14) 0.6970(15) 0.114 Uani 0.2 1 d . U . E 12
C42 C -0.1364(19) -0.0305(18) 0.7120(18) 0.114 Uani 0.2 1 d G U . E 12
C67 C -0.1556(14) -0.0646(16) 0.7469(16) 0.114 Uani 0.2 1 d G U . E 12
C141 C -0.129(2) -0.0823(16) 0.7667(17) 0.114 Uani 0.2 1 d G U . E 12
C41 C -0.0839(19) -0.0659(19) 0.7517(19) 0.114 Uani 0.2 1 d G U . E 12
C38 C -0.0648(14) -0.0318(15) 0.7168(15) 0.110 Uani 0.2 1 d G U . E 12
C63 C 0.2160(4) 0.1953(5) 0.5418(6) 0.119 Uani 0.4 1 d D U . C 2
H63 H 0.234599 0.186516 0.559604 0.142 Uiso 0.4 1 calc R . . C 2
C59 C 0.1745(4) 0.1615(4) 0.5218(6) 0.111 Uani 0.4 1 d DG U . C 2
H59 H 0.164813 0.129596 0.525905 0.134 Uiso 0.4 1 calc R . . C 2
C64 C 0.1473(4) 0.1744(4) 0.4957(5) 0.107 Uani 0.4 1 d G U . C 2
C61 C 0.1615(4) 0.2211(4) 0.4896(6) 0.116 Uani 0.4 1 d DG U . C 2
H61 H 0.142832 0.229933 0.471808 0.139 Uiso 0.4 1 calc R . . C 2
C57 C 0.2029(4) 0.2549(4) 0.5096(8) 0.118 Uani 0.4 1 d DG U . C 2
H57 H 0.212617 0.286854 0.505507 0.141 Uiso 0.4 1 calc R . . C 2
C62 C 0.2302(5) 0.2420(5) 0.5357(8) 0.116 Uani 0.4 1 d DG U . C 2
O4 O 0.0021(8) 0.2761(6) 0.4590(11) 0.129 Uani 0.4 1 d D U . F 2
O29 O -0.1726(8) 0.0405(9) 0.6767(10) 0.144 Uani 0.4 1 d D U . B 1
C49 C 0.0563(18) 0.3240(16) 0.4496(18) 0.125 Uani 0.4 1 d D U . F 2
H49A H 0.065854 0.336815 0.481659 0.188 Uiso 0.4 1 d R . . F 2
H49B H 0.057154 0.347895 0.428479 0.188 Uiso 0.4 1 d R . . F 2
H49C H 0.077634 0.314075 0.437539 0.188 Uiso 0.4 1 d R . . F 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
Ag6 Ag4 2.8460(9) 2_665 ?
Ag6 Ag4 2.8460(9) 3_565 ?
Ag6 Ag4 2.8461(9) . ?
Ag6 Ag12 3.0462(6) 3_565 ?
Ag6 Ag12 3.0461(6) . ?
Ag6 Ag12 3.0462(6) 2_665 ?
Ag6 Ag9 2.6751(6) 2_665 ?
Ag6 Ag9 2.6751(6) 3_565 ?
Ag6 Ag9 2.6750(6) . ?
Ag6 Ag13 2.7891(9) 3_565 ?
Ag6 Ag13 2.7892(9) 2_665 ?
Ag6 Ag13 2.7893(9) . ?
Ag4 Ag4 2.8574(10) 3_565 ?
Ag4 Ag4 2.8573(10) 2_665 ?
Ag4 Ag8 2.9479(8) 2_665 ?
Ag4 Ag8 2.6868(8) . ?
Ag4 Ag7 3.0710(8) . ?
Ag4 Ag7 2.6818(8) 2_665 ?
Ag4 Ag12 2.6927(8) 2_665 ?
Ag4 Ag9 3.0205(8) . ?
Ag4 Ag10 2.7832(8) 2_665 ?
Ag4 Ag11 2.7959(8) 2_665 ?
Ag4 Ag5 2.7882(8) . ?
Ag8 Ag7 2.8200(8) . ?
Ag8 Ag12 2.9962(8) . ?
Ag8 Ag9 2.9656(8) . ?
Ag8 Ag10 3.1092(8) 2_665 ?
Ag8 Ag11 2.8844(9) . ?
Ag8 Ag5 3.0009(9) . ?
Ag8 S10 2.503(2) . ?
Ag7 Ag7 2.9979(10) 3_565 ?
Ag7 Ag7 2.9978(10) 2_665 ?
Ag7 Ag10 2.8841(9) 2_665 ?
Ag7 Ag10 2.9527(9) . ?
Ag7 Ag11 3.1732(8) . ?
Ag7 S12 2.520(2) . ?
Ag12 Ag9 2.9941(9) . ?
Ag12 Ag9 2.8319(9) 3_565 ?
Ag12 Ag13 2.8721(8) . ?
Ag12 Ag11 2.9725(8) . ?
Ag12 Ag5 3.1041(9) 3_565 ?
Ag12 S7 2.526(2) . ?
Cd3 S12 2.599(2) . ?
Cd3 S12 2.585(2) 3_565 ?
Cd3 S13 2.500(2) . ?
Cd3 S14 2.467(2) . ?
Ag9 Ag13 3.1271(9) 2_665 ?
Ag9 Ag13 2.9829(8) . ?
Ag9 Ag5 2.8729(8) . ?
Ag9 S9 2.505(2) . ?
Ag10 Ag11 2.8718(9) . ?
Ag10 Ag5 2.8403(8) 3_565 ?
Ag10 S13 2.503(2) . ?
Ag13 Ag13 2.8316(11) 2_665 ?
Ag13 Ag13 2.8315(11) 3_565 ?
Ag13 S8 2.493(2) . ?
Ag11 Ag5 2.8130(9) 3_565 ?
Ag11 S6 2.509(2) . ?
Ag5 S11 2.491(2) . ?
Cd2 S10 2.587(2) . ?
Cd2 S7 2.579(2) . ?
Cd2 S6 2.509(2) . ?
Cd2 S3 2.462(2) . ?
Ag3 S14 2.623(2) . ?
Ag3 S14 2.623(2) 2_665 ?
Ag3 S14 2.623(2) 3_565 ?
Ag3 P4 2.513(4) . ?
Cd4 S10 2.583(2) . ?
Cd4 S9 2.600(2) . ?
Cd4 S11 2.503(3) . ?
Cd4 S5 2.451(2) . ?
Cd5 S7 2.596(2) . ?
Cd5 S9 2.596(3) . ?
Cd5 S8 2.494(2) . ?
Cd5 S4 2.458(2) . ?
Ag14 S5 2.614(3) . ?
Ag14 P3 2.502(2) . ?
Ag14 S3 2.623(3) . ?
Ag14 S4 2.582(3) . ?
S12 C011 1.780(5) . ?
S10 C012 1.789(5) . ?
S13 C01H 1.776(6) . ?
S7 C017 1.775(6) . ?
S14 C01F 1.778(9) . ?
S9 C01W 1.780(10) . ?
S8 C5AA 1.829(10) . ?
S8 C46 1.739(10) . ?
S11 C01P 1.834(6) . ?
S6 C01I 1.802(6) . ?
P4 C013 1.822(10) 3_565 ?
P4 C013 1.823(10) 2_665 ?
P4 C013 1.822(10) . ?
S5 C02K 1.787(7) . ?
P3 C018 1.831(5) . ?
P3 C026 1.819(7) . ?
P3 C029 1.815(7) . ?
S3 C01X 1.800(5) . ?
S4 C02G 1.769(7) . ?
O00Z C01U 1.406(12) . ?
O00Z C02N 1.419(13) . ?
C011 C019 1.3900 . ?
C011 C015 1.3900 . ?
C019 H019 0.9500 . ?
C019 C02S 1.3900 . ?
C02S H02S 0.9500 . ?
C02S C03F 1.3900 . ?
C03F C02I 1.3900 . ?
C03F O024 1.380(10) . ?
C02I H02I 0.9500 . ?
C02I C015 1.3900 . ?
C015 H015 0.9500 . ?
C012 C014 1.3900 . ?
C012 C01O 1.3900 . ?
C014 H014 0.9500 . ?
C014 C022 1.3900 . ?
C022 H022 0.9500 . ?
C022 C02M 1.3900 . ?
C02M C02L 1.3900 . ?
C02M O01V 1.365(9) . ?
C02L H02L 0.9500 . ?
C02L C01O 1.3900 . ?
C01O H01O 0.9500 . ?
C013 C01A 1.384(13) . ?
C013 C01D 1.419(14) . ?
C017 C02B 1.3900 . ?
C017 C027 1.3900 . ?
C02B H02B 0.9500 . ?
C02B C02T 1.3900 . ?
C02T H02T 0.9500 . ?
C02T C034 1.3900 . ?
C034 C03I 1.3900 . ?
C034 O01N 1.365(10) . ?
C03I H03I 0.9500 . ?
C03I C027 1.3900 . ?
C027 H027 0.9500 . ?
C018 C01Q 1.3900 . ?
C018 C02C 1.3900 . ?
C01Q H01Q 0.9500 . ?
C01Q C035 1.3900 . ?
C035 H035 0.9500 . ?
C035 C02V 1.3900 . ?
C02V H02V 0.9500 . ?
C02V C02Y 1.3900 . ?
C02Y H02Y 0.9500 . ?
C02Y C02C 1.3900 . ?
C02C H02C 0.9500 . ?
C01A H01A 0.9500 . ?
C01A C01M 1.412(14) . ?
C01B H01B 0.9500 . ?
C01B C01E 1.385(13) . ?
C01B C01F 1.389(13) . ?
C01C H01C 0.9500 . ?
C01C C01L 1.390(14) . ?
C01C C01M 1.349(14) . ?
C01D H01D 0.9500 . ?
C01D C01L 1.357(14) . ?
C01E H01E 0.9500 . ?
C01E C01U 1.399(14) . ?
C01F C01G 1.408(13) . ?
C01G H01G 0.9500 . ?
C01G C01K 1.413(14) . ?
C01H C02F 1.3900 . ?
C01H C031 1.3900 . ?
C02F H02F 0.9500 . ?
C02F C17 1.3900 . ?
C17 H17 0.9500 . ?
C17 C22 1.3900 . ?
C22 C03G 1.3900 . ?
C22 O1 1.469(13) . ?
C03G H03G 0.9500 . ?
C03G C031 1.3900 . ?
C031 H031 0.9500 . ?
C01I C021 1.3900 . ?
C01I C02R 1.3900 . ?
C021 H021 0.9500 . ?
C021 C02U 1.3900 . ?
C02U H02U 0.9500 . ?
C02U C039 1.3900 . ?
C039 C03P 1.3900 . ?
C039 O02H 1.388(11) . ?
C03P H03P 0.9500 . ?
C03P C02R 1.3900 . ?
C02R H02R 0.9500 . ?
C01K H01K 0.9500 . ?
C01K C01U 1.372(14) . ?
C01L H01L 0.9500 . ?
C01M H01M 0.9500 . ?
O01N C6 1.470(18) . ?
O01S C02W 1.385(10) . ?
O01S C10 1.429(16) . ?
O01V C4AA 1.463(15) . ?
C01W C02X 1.3897(10) . ?
C01W C8CA 1.3900(10) . ?
C01W C6CA 1.3899(10) . ?
C01W C35 1.3898(10) . ?
O023 C02Q 1.392(13) . ?
O023 C1 1.444(16) . ?
O024 C0BA 1.533(18) . ?
C026 C02E 1.3900 . ?
C026 C037 1.3900 . ?
C02E H02E 0.9500 . ?
C02E C03H 1.3900 . ?
C03H H03H 0.9500 . ?
C03H C52 1.3900 . ?
C52 H52 0.9500 . ?
C52 C36 1.3900 . ?
C36 H36 0.9500 . ?
C36 C037 1.3900 . ?
C037 H037 0.9500 . ?
C029 C4 1.3900 . ?
C029 C03B 1.3900 . ?
C4 H4 0.9500 . ?
C4 C7AA 1.3900 . ?
C7AA H7AA 0.9500 . ?
C7AA C58 1.3900 . ?
C58 H58 0.9500 . ?
C58 C03V 1.3900 . ?
C03V H03V 0.9500 . ?
C03V C03B 1.3900 . ?
C03B H03B 0.9500 . ?
C02A H02A 0.9500 . ?
C02A C02Q 1.3899(10) . ?
C02A C02X 1.3900(10) . ?
C02D H02D 0.9500 . ?
C02D C02O 1.3900 . ?
C02D C01X 1.3900 . ?
C02O H02O 0.9500 . ?
C02O C02W 1.3900 . ?
C02W C01Z 1.3900 . ?
C01Z H01Z 0.9500 . ?
C01Z C01J 1.3900 . ?
C01J H01J 0.9500 . ?
C01J C01X 1.3900 . ?
C02G C01R 1.3900 . ?
C02G C03J 1.3900 . ?
C01R H01R 0.9500 . ?
C01R C02Z 1.3900 . ?
C02Z H02Z 0.9500 . ?
C02Z C164 1.3900 . ?
C164 C100 1.3900 . ?
C164 O03K 1.416(13) . ?
C100 H100 0.9500 . ?
C100 C03J 1.3900 . ?
C03J H03J 0.9500 . ?
O02H C21 1.505(19) . ?
O02J C03A 1.431(10) . ?
O02J C3AA 1.4283(10) . ?
C02K C03N 1.3900 . ?
C02K C02P 1.3900 . ?
C03N H03N 0.9500 . ?
C03N C31 1.3900 . ?
C31 H31 0.9500 . ?
C31 C39 1.3900 . ?
C39 C036 1.3900 . ?
C39 O03C 1.435(12) . ?
C036 H036 0.9500 . ?
C036 C02P 1.3900 . ?
C02P H02P 0.9500 . ?
C02N H02G 0.9800 . ?
C02N H02H 0.9800 . ?
C02N H02J 0.9800 . ?
C02Q C7CA 1.3900(10) . ?
C02Q C15 1.3901(10) . ?
C02Q C51 1.3897(10) . ?
C02X H02X 0.9500 . ?
C030 H030 0.9500 . ?
C030 C01P 1.3900 . ?
C030 C032 1.3900 . ?
C01P C025 1.3900 . ?
C025 H025 0.9500 . ?
C025 C033 1.3900 . ?
C033 H033 0.9500 . ?
C033 C03A 1.3900 . ?
C03A C032 1.3900 . ?
C032 H032 0.9500 . ?
O03C C26 1.50(2) . ?
O03K C8AA 1.63(2) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
Ag1 S1 2.606(8) . ?
Ag1 S1 2.606(8) 3 ?
Ag1 S1 2.606(8) 2 ?
Ag1 P2 2.43(2) . ?
Ag2 Ag2 2.752(3) 6_556 ?
Ag2 Ag2 2.752(3) 5_556 ?
Ag2 S2 2.443(9) . ?
Ag2 S2 2.441(11) 5_556 ?
Ag2 Cl1 2.605(5) . ?
Cd1 S1 2.627(9) . ?
Cd1 Cl4A 2.687(10) . ?
Cd1 Cl4A 2.804(11) 5_556 ?
Cd1 P1 2.412(12) . ?
S1 C7 1.822(19) . ?
S2 C64 1.802(8) . ?
P2 C30 1.65(4) 3 ?
P2 C30 1.65(4) 2 ?
P2 C30 1.65(4) . ?
P1 C45 1.96(3) . ?
P1 C2 1.82(3) . ?
P1 C14 1.78(2) . ?
C45 C48 1.3900 . ?
C45 C40 1.3900 . ?
C48 H48 0.9500 . ?
C48 C47 1.3900 . ?
C47 H47 0.9500 . ?
C47 C33 1.3900 . ?
C33 H33 0.9500 . ?
C33 C65 1.3900 . ?
C65 H65 0.9500 . ?
C65 C40 1.3900 . ?
C40 H40 0.9500 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C4AA H4AA 0.9800 . ?
C4AA H4AB 0.9800 . ?
C4AA H4AC 0.9800 . ?
C8AA H8AA 0.9800 . ?
C8AA H8AB 0.9800 . ?
C8AA H8AC 0.9800 . ?
C0BA H0BA 0.9800 . ?
C0BA H0BB 0.9800 . ?
C0BA H0BC 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C5AA C6AA 1.3900 . ?
C5AA C0CA 1.3900 . ?
C6AA H6AA 0.9500 . ?
C6AA C9 1.3900 . ?
C9 H9 0.9500 . ?
C9 C4CA 1.3900 . ?
C4CA C5CA 1.3900 . ?
C4CA O2 1.415(18) . ?
C5CA H5CA 0.9500 . ?
C5CA C0CA 1.3900 . ?
C0CA H0CA 0.9500 . ?
O3 C1CA 1.368(17) . ?
O3 C129 1.473(10) . ?
C11 H11 0.9500 . ?
C11 C46 1.3900 . ?
C11 C3CA 1.3900 . ?
C46 C13 1.3900 . ?
C13 H13 0.9500 . ?
C13 C2CA 1.3900 . ?
C2CA H2CA 0.9500 . ?
C2CA C1CA 1.3900 . ?
C1CA C3CA 1.3900 . ?
C3CA H3CA 0.9500 . ?
O2 C2AA 1.473(9) . ?
C8CA H8CA 0.9500 . ?
C8CA C7CA 1.3900(10) . ?
C7CA H7CA 0.9500 . ?
C6CA H6CA 0.9500 . ?
C6CA C15 1.3900(10) . ?
C15 H15 0.9500 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C35 H35 0.9500 . ?
C35 C51 1.3899(10) . ?
C51 H51 0.9500 . ?
C2AA H2AA 0.9800 . ?
C2AA H2AB 0.9800 . ?
C2AA H2AC 0.9800 . ?
C129 H12A 0.9800 . ?
C129 H12B 0.9800 . ?
C129 H12C 0.9800 . ?
C3AA H3AA 0.9798 . ?
C3AA H3AB 0.9798 . ?
C3AA H3AC 0.9797 . ?
C2 C3 1.3900 . ?
C2 C8 1.3900 . ?
C3 H3 0.9500 . ?
C3 C24 1.3900 . ?
C24 H24 0.9500 . ?
C24 C5 1.3900 . ?
C5 H5 0.9500 . ?
C5 C12 1.3900 . ?
C12 H12 0.9500 . ?
C12 C8 1.3900 . ?
C8 H8 0.9500 . ?
C14 C16 1.3900 . ?
C14 C20 1.3900 . ?
C16 H16 0.9500 . ?
C16 C18 1.3900 . ?
C18 H18 0.9500 . ?
C18 C19 1.3900 . ?
C19 H19 0.9500 . ?
C19 C23 1.3900 . ?
C23 H23 0.9500 . ?
C23 C20 1.3900 . ?
C20 H20 0.9500 . ?
C25 H25 0.9500 . ?
C25 C29 1.3900 . ?
C25 C7 1.3900 . ?
C29 H29 0.9500 . ?
C29 C27 1.3900 . ?
C27 C66 1.3900 . ?
C27 O29 1.352(7) . ?
C66 H66 0.9500 . ?
C66 C28 1.3900 . ?
C28 H28 0.9500 . ?
C28 C7 1.3900 . ?
C30 C44 1.3900 . ?
C30 C37 1.3900 . ?
C44 H44 0.9500 . ?
C44 C32 1.3900 . ?
C32 H32 0.9500 . ?
C32 C70 1.3900 . ?
C70 H70 0.9500 . ?
C70 C34 1.3900 . ?
C34 H34 0.9500 . ?
C34 C37 1.3900 . ?
C37 H37 0.9500 . ?
C56 C42 1.3900 . ?
C56 C38 1.3900 . ?
C42 C67 1.3900 . ?
C67 C141 1.3900 . ?
C141 C41 1.3900 . ?
C41 C38 1.3900 . ?
C63 H63 0.9500 . ?
C63 C59 1.3900 . ?
C63 C62 1.3900 . ?
C59 H59 0.9500 . ?
C59 C64 1.3900 . ?
C64 C61 1.3900 . ?
C61 H61 0.9500 . ?
C61 C57 1.3900 . ?
C57 H57 0.9500 . ?
C57 C62 1.3900 . ?
C62 O4 1.364(9) 5_556 ?
O4 C49 1.73(5) . ?
C49 H49A 0.9798 . ?
C49 H49B 0.9802 . ?
C49 H49C 0.9799 . ?

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
Ag4 Ag6 Ag4 60.27(2) 2_665 3_565 ?
Ag4 Ag6 Ag4 60.26(2) 2_665 . ?
Ag4 Ag6 Ag4 60.27(3) 3_565 . ?
Ag4 Ag6 Ag12 54.256(17) 3_565 . ?
Ag4 Ag6 Ag12 54.258(17) . 2_665 ?
Ag4 Ag6 Ag12 88.79(2) 2_665 2_665 ?
Ag4 Ag6 Ag12 88.79(2) . . ?
Ag4 Ag6 Ag12 54.257(17) 2_665 3_565 ?
Ag4 Ag6 Ag12 114.46(3) 3_565 2_665 ?
Ag4 Ag6 Ag12 88.79(2) 3_565 3_565 ?
Ag4 Ag6 Ag12 114.46(3) . 3_565 ?
Ag4 Ag6 Ag12 114.46(3) 2_665 . ?
Ag12 Ag6 Ag12 119.395(5) . 2_665 ?
Ag12 Ag6 Ag12 119.395(5) 3_565 . ?
Ag12 Ag6 Ag12 119.395(6) 3_565 2_665 ?
Ag9 Ag6 Ag4 66.246(19) 2_665 2_665 ?
Ag9 Ag6 Ag4 66.248(19) 3_565 3_565 ?
Ag9 Ag6 Ag4 93.52(2) 2_665 . ?
Ag9 Ag6 Ag4 93.52(2) 3_565 2_665 ?
Ag9 Ag6 Ag4 93.53(2) . 3_565 ?
Ag9 Ag6 Ag4 126.51(3) . 2_665 ?
Ag9 Ag6 Ag4 126.51(3) 3_565 . ?
Ag9 Ag6 Ag4 126.51(3) 2_665 3_565 ?
Ag9 Ag6 Ag4 66.251(19) . . ?
Ag9 Ag6 Ag12 58.907(18) 2_665 3_565 ?
Ag9 Ag6 Ag12 62.719(18) . . ?
Ag9 Ag6 Ag12 177.58(3) 3_565 2_665 ?
Ag9 Ag6 Ag12 62.715(18) 3_565 3_565 ?
Ag9 Ag6 Ag12 62.721(18) 2_665 2_665 ?
Ag9 Ag6 Ag12 177.57(3) 2_665 . ?
Ag9 Ag6 Ag12 58.909(18) . 2_665 ?
Ag9 Ag6 Ag12 58.912(18) 3_565 . ?
Ag9 Ag6 Ag12 177.57(3) . 3_565 ?
Ag9 Ag6 Ag9 118.932(8) 2_665 3_565 ?
Ag9 Ag6 Ag9 118.939(8) 2_665 . ?
Ag9 Ag6 Ag9 118.940(8) 3_565 . ?
Ag9 Ag6 Ag13 69.79(2) 2_665 3_565 ?
Ag9 Ag6 Ag13 119.86(3) 2_665 . ?
Ag9 Ag6 Ag13 66.14(2) 2_665 2_665 ?
Ag9 Ag6 Ag13 119.86(3) . 3_565 ?
Ag9 Ag6 Ag13 119.86(3) 3_565 2_665 ?
Ag9 Ag6 Ag13 69.79(2) 3_565 . ?
Ag9 Ag6 Ag13 69.78(2) . 2_665 ?
Ag9 Ag6 Ag13 66.13(2) . . ?
Ag9 Ag6 Ag13 66.13(2) 3_565 3_565 ?
Ag13 Ag6 Ag4 111.664(17) 2_665 . ?
Ag13 Ag6 Ag4 111.667(17) 3_565 2_665 ?
Ag13 Ag6 Ag4 163.245(17) . 2_665 ?
Ag13 Ag6 Ag4 130.841(17) . . ?
Ag13 Ag6 Ag4 130.840(17) 2_665 2_665 ?
Ag13 Ag6 Ag4 163.242(17) 2_665 3_565 ?
Ag13 Ag6 Ag4 130.839(17) 3_565 3_565 ?
Ag13 Ag6 Ag4 111.665(17) . 3_565 ?
Ag13 Ag6 Ag4 163.245(17) 3_565 . ?
Ag13 Ag6 Ag12 107.91(2) 3_565 . ?
Ag13 Ag6 Ag12 58.772(18) . . ?
Ag13 Ag6 Ag12 113.64(3) . 3_565 ?
Ag13 Ag6 Ag12 58.772(18) 3_565 3_565 ?
Ag13 Ag6 Ag12 107.91(2) . 2_665 ?
Ag13 Ag6 Ag12 107.92(2) 2_665 3_565 ?
Ag13 Ag6 Ag12 113.64(3) 2_665 . ?
Ag13 Ag6 Ag12 113.64(3) 3_565 2_665 ?
Ag13 Ag6 Ag12 58.769(18) 2_665 2_665 ?
Ag13 Ag6 Ag13 61.01(3) 2_665 . ?
Ag13 Ag6 Ag13 61.01(3) 3_565 2_665 ?
Ag13 Ag6 Ag13 61.01(3) 3_565 . ?
Ag6 Ag4 Ag4 59.867(13) . 2_665 ?
Ag6 Ag4 Ag4 59.866(13) . 3_565 ?
Ag6 Ag4 Ag8 88.090(19) . 2_665 ?
Ag6 Ag4 Ag7 113.51(2) . . ?
Ag6 Ag4 Ag9 54.157(17) . . ?
Ag4 Ag4 Ag4 60.0 2_665 3_565 ?
Ag4 Ag4 Ag8 115.10(2) 3_565 2_665 ?
Ag4 Ag4 Ag8 55.11(2) 2_665 2_665 ?
Ag4 Ag4 Ag7 86.932(16) 2_665 . ?
Ag4 Ag4 Ag7 53.648(17) 3_565 . ?
Ag4 Ag4 Ag9 114.024(15) 2_665 . ?
Ag4 Ag4 Ag9 86.36(2) 3_565 . ?
Ag8 Ag4 Ag6 93.42(2) . . ?
Ag8 Ag4 Ag4 64.16(3) . 3_565 ?
Ag8 Ag4 Ag4 124.15(3) . 2_665 ?
Ag8 Ag4 Ag8 177.51(3) . 2_665 ?
Ag8 Ag4 Ag7 58.19(2) . . ?
Ag8 Ag4 Ag7 119.36(2) 2_665 . ?
Ag8 Ag4 Ag12 118.45(3) . 2_665 ?
Ag8 Ag4 Ag9 62.29(2) . . ?
Ag8 Ag4 Ag9 120.18(2) 2_665 . ?
Ag8 Ag4 Ag10 69.25(2) . 2_665 ?
Ag8 Ag4 Ag11 119.85(3) . 2_665 ?
Ag8 Ag4 Ag5 66.44(2) . . ?
Ag7 Ag4 Ag6 127.12(3) 2_665 . ?
Ag7 Ag4 Ag4 94.862(17) 2_665 3_565 ?
Ag7 Ag4 Ag4 67.26(2) 2_665 2_665 ?
Ag7 Ag4 Ag8 59.90(2) 2_665 2_665 ?
Ag7 Ag4 Ag8 117.64(3) 2_665 . ?
Ag7 Ag4 Ag7 62.38(3) 2_665 . ?
Ag7 Ag4 Ag12 120.48(3) 2_665 2_665 ?
Ag7 Ag4 Ag9 178.59(3) 2_665 . ?
Ag7 Ag4 Ag10 65.38(2) 2_665 2_665 ?
Ag7 Ag4 Ag11 70.77(2) 2_665 2_665 ?
Ag7 Ag4 Ag5 119.49(3) 2_665 . ?
Ag12 Ag4 Ag6 66.66(2) 2_665 . ?
Ag12 Ag4 Ag4 126.450(17) 2_665 3_565 ?
Ag12 Ag4 Ag4 95.96(3) 2_665 2_665 ?
Ag12 Ag4 Ag8 63.98(2) 2_665 2_665 ?
Ag12 Ag4 Ag7 176.56(3) 2_665 . ?
Ag12 Ag4 Ag9 59.09(2) 2_665 . ?
Ag12 Ag4 Ag10 120.00(3) 2_665 2_665 ?
Ag12 Ag4 Ag11 65.55(2) 2_665 2_665 ?
Ag12 Ag4 Ag5 68.96(2) 2_665 . ?
Ag9 Ag4 Ag7 117.99(2) . . ?
Ag10 Ag4 Ag6 162.65(3) 2_665 . ?
Ag10 Ag4 Ag4 110.62(2) 2_665 3_565 ?
Ag10 Ag4 Ag4 130.460(17) 2_665 2_665 ?
Ag10 Ag4 Ag8 109.26(2) 2_665 2_665 ?
Ag10 Ag4 Ag7 58.79(2) 2_665 . ?
Ag10 Ag4 Ag9 113.53(2) 2_665 . ?
Ag10 Ag4 Ag11 61.96(2) 2_665 2_665 ?
Ag10 Ag4 Ag5 61.30(2) 2_665 . ?
Ag11 Ag4 Ag6 130.61(2) 2_665 . ?
Ag11 Ag4 Ag4 113.95(3) 2_665 2_665 ?
Ag11 Ag4 Ag4 165.450(19) 2_665 3_565 ?
Ag11 Ag4 Ag8 60.22(2) 2_665 2_665 ?
Ag11 Ag4 Ag7 114.96(2) 2_665 . ?
Ag11 Ag4 Ag9 107.98(2) 2_665 . ?
Ag5 Ag4 Ag6 111.75(2) . . ?
Ag5 Ag4 Ag4 128.85(3) . 3_565 ?
Ag5 Ag4 Ag4 164.92(3) . 2_665 ?
Ag5 Ag4 Ag8 114.80(3) . 2_665 ?
Ag5 Ag4 Ag7 108.14(2) . . ?
Ag5 Ag4 Ag9 59.12(2) . . ?
Ag5 Ag4 Ag11 60.49(2) . 2_665 ?
Ag4 Ag8 Ag4 60.73(3) . 3_565 ?
Ag4 Ag8 Ag7 67.74(2) . . ?
Ag4 Ag8 Ag12 92.91(2) . . ?
Ag4 Ag8 Ag12 53.861(19) 3_565 . ?
Ag4 Ag8 Ag9 64.38(2) . . ?
Ag4 Ag8 Ag9 85.75(2) 3_565 . ?
Ag4 Ag8 Ag10 56.83(2) . 2_665 ?
Ag4 Ag8 Ag10 99.91(2) 3_565 2_665 ?
Ag4 Ag8 Ag11 116.56(3) . . ?
Ag4 Ag8 Ag5 117.74(2) 3_565 . ?
Ag4 Ag8 Ag5 58.40(2) . . ?
Ag7 Ag8 Ag4 55.361(19) . 3_565 ?
Ag7 Ag8 Ag12 106.64(2) . . ?
Ag7 Ag8 Ag9 128.95(3) . . ?
Ag7 Ag8 Ag10 57.97(2) . 2_665 ?
Ag7 Ag8 Ag11 67.58(2) . . ?
Ag7 Ag8 Ag5 109.25(3) . . ?
Ag12 Ag8 Ag10 148.86(3) . 2_665 ?
Ag12 Ag8 Ag5 117.80(2) . . ?
Ag9 Ag8 Ag12 60.29(2) . . ?
Ag9 Ag8 Ag10 106.12(2) . 2_665 ?
Ag9 Ag8 Ag5 57.56(2) . . ?
Ag11 Ag8 Ag4 57.28(2) . 3_565 ?
Ag11 Ag8 Ag12 60.69(2) . . ?
Ag11 Ag8 Ag9 120.92(3) . . ?
Ag11 Ag8 Ag10 123.02(2) . 2_665 ?
Ag11 Ag8 Ag5 174.94(3) . . ?
Ag5 Ag8 Ag10 55.365(19) . 2_665 ?
S10 Ag8 Ag4 148.30(6) . . ?
S10 Ag8 Ag4 148.16(6) . 3_565 ?
S10 Ag8 Ag7 132.81(5) . . ?
S10 Ag8 Ag12 100.72(5) . . ?
S10 Ag8 Ag9 97.94(5) . . ?
S10 Ag8 Ag10 109.22(6) . 2_665 ?
S10 Ag8 Ag11 95.01(6) . . ?
S10 Ag8 Ag5 90.01(6) . . ?
Ag4 Ag7 Ag4 59.10(2) 3_565 . ?
Ag4 Ag7 Ag8 64.74(2) 3_565 . ?
Ag4 Ag7 Ag7 65.18(2) 3_565 3_565 ?
Ag4 Ag7 Ag7 91.695(17) 3_565 2_665 ?
Ag4 Ag7 Ag10 112.83(3) 3_565 2_665 ?
Ag4 Ag7 Ag10 58.97(2) 3_565 . ?
Ag4 Ag7 Ag11 56.296(19) 3_565 . ?
Ag4 Ag7 Ag11 98.76(2) . . ?
Ag8 Ag7 Ag4 54.065(19) . . ?
Ag8 Ag7 Ag7 126.513(16) . 3_565 ?
Ag8 Ag7 Ag7 104.23(2) . 2_665 ?
Ag8 Ag7 Ag10 66.05(2) . 2_665 ?
Ag8 Ag7 Ag10 108.12(2) . . ?
Ag8 Ag7 Ag11 57.17(2) . . ?
Ag7 Ag7 Ag4 84.504(16) 3_565 . ?
Ag7 Ag7 Ag4 52.432(17) 2_665 . ?
Ag7 Ag7 Ag7 60.000(1) 2_665 3_565 ?
Ag7 Ag7 Ag11 146.902(15) 2_665 . ?
Ag7 Ag7 Ag11 106.61(3) 3_565 . ?
Ag10 Ag7 Ag4 55.618(19) 2_665 . ?
Ag10 Ag7 Ag4 116.46(2) . . ?
Ag10 Ag7 Ag7 60.23(3) 2_665 2_665 ?
Ag10 Ag7 Ag7 120.06(3) 2_665 3_565 ?
Ag10 Ag7 Ag7 57.98(3) . 3_565 ?
Ag10 Ag7 Ag7 117.82(3) . 2_665 ?
Ag10 Ag7 Ag10 171.79(3) 2_665 . ?
Ag10 Ag7 Ag11 55.772(19) . . ?
Ag10 Ag7 Ag11 120.80(3) 2_665 . ?
S12 Ag7 Ag4 149.00(6) . . ?
S12 Ag7 Ag4 148.08(6) . 3_565 ?
S12 Ag7 Ag8 136.78(6) . . ?
S12 Ag7 Ag7 101.43(5) . 2_665 ?
S12 Ag7 Ag7 96.42(5) . 3_565 ?
S12 Ag7 Ag10 98.89(5) . 2_665 ?
S12 Ag7 Ag10 89.30(5) . . ?
S12 Ag7 Ag11 110.47(5) . . ?
Ag6 Ag12 Ag5 98.64(2) . 3_565 ?
Ag4 Ag12 Ag6 59.08(2) 3_565 . ?
Ag4 Ag12 Ag8 62.16(2) 3_565 . ?
Ag4 Ag12 Ag9 89.92(2) 3_565 . ?
Ag4 Ag12 Ag9 66.23(2) 3_565 3_565 ?
Ag4 Ag12 Ag13 113.80(3) 3_565 . ?
Ag4 Ag12 Ag11 58.90(2) 3_565 . ?
Ag4 Ag12 Ag5 56.97(2) 3_565 3_565 ?
Ag8 Ag12 Ag6 83.63(2) . . ?
Ag8 Ag12 Ag5 104.80(2) . 3_565 ?
Ag9 Ag12 Ag6 52.566(15) . . ?
Ag9 Ag12 Ag6 53.994(16) 3_565 . ?
Ag9 Ag12 Ag8 125.16(3) 3_565 . ?
Ag9 Ag12 Ag8 59.35(2) . . ?
Ag9 Ag12 Ag9 104.52(3) 3_565 . ?
Ag9 Ag12 Ag13 66.49(2) 3_565 . ?
Ag9 Ag12 Ag11 108.35(2) 3_565 . ?
Ag9 Ag12 Ag5 145.98(3) . 3_565 ?
Ag9 Ag12 Ag5 57.67(2) 3_565 3_565 ?
Ag13 Ag12 Ag6 56.15(2) . . ?
Ag13 Ag12 Ag8 120.22(3) . . ?
Ag13 Ag12 Ag9 61.08(2) . . ?
Ag13 Ag12 Ag11 172.70(3) . . ?
Ag13 Ag12 Ag5 121.84(3) . 3_565 ?
Ag11 Ag12 Ag6 116.79(3) . . ?
Ag11 Ag12 Ag8 57.79(2) . . ?
Ag11 Ag12 Ag9 117.09(3) . . ?
Ag11 Ag12 Ag5 55.102(19) . 3_565 ?
S7 Ag12 Ag6 145.17(6) . . ?
S7 Ag12 Ag4 150.74(5) . 3_565 ?
S7 Ag12 Ag8 98.45(5) . . ?
S7 Ag12 Ag9 98.64(6) . . ?
S7 Ag12 Ag9 136.37(6) . 3_565 ?
S7 Ag12 Ag13 94.67(5) . . ?
S7 Ag12 Ag11 92.60(5) . . ?
S7 Ag12 Ag5 114.10(6) . 3_565 ?
S12 Cd3 S12 94.23(9) 3_565 . ?
S13 Cd3 S12 104.30(7) . . ?
S13 Cd3 S12 100.34(7) . 3_565 ?
S14 Cd3 S12 115.93(7) . 3_565 ?
S14 Cd3 S12 107.05(7) . . ?
S14 Cd3 S13 129.15(7) . . ?
Ag6 Ag9 Ag4 59.59(2) . . ?
Ag6 Ag9 Ag8 91.01(3) . . ?
Ag6 Ag9 Ag12 67.098(19) . 2_665 ?
Ag6 Ag9 Ag12 64.715(18) . . ?
Ag6 Ag9 Ag13 56.82(2) . 2_665 ?
Ag6 Ag9 Ag13 58.77(2) . . ?
Ag6 Ag9 Ag5 114.38(3) . . ?
Ag4 Ag9 Ag13 98.64(2) . 2_665 ?
Ag8 Ag9 Ag4 53.328(18) . . ?
Ag8 Ag9 Ag12 60.36(2) . . ?
Ag8 Ag9 Ag13 146.89(3) . 2_665 ?
Ag8 Ag9 Ag13 117.59(3) . . ?
Ag12 Ag9 Ag4 86.59(2) . . ?
Ag12 Ag9 Ag4 54.673(19) 2_665 . ?
Ag12 Ag9 Ag8 105.71(2) 2_665 . ?
Ag12 Ag9 Ag12 129.05(3) 2_665 . ?
Ag12 Ag9 Ag13 105.89(2) . 2_665 ?
Ag12 Ag9 Ag13 57.37(2) 2_665 2_665 ?
Ag12 Ag9 Ag13 108.53(3) 2_665 . ?
Ag12 Ag9 Ag5 65.92(2) 2_665 . ?
Ag13 Ag9 Ag4 117.22(2) . . ?
Ag13 Ag9 Ag12 57.44(2) . . ?
Ag13 Ag9 Ag13 55.16(3) . 2_665 ?
Ag5 Ag9 Ag4 56.406(19) . . ?
Ag5 Ag9 Ag8 61.83(2) . . ?
Ag5 Ag9 Ag12 122.13(3) . . ?
Ag5 Ag9 Ag13 173.05(3) . . ?
Ag5 Ag9 Ag13 121.01(3) . 2_665 ?
S9 Ag9 Ag6 152.10(6) . . ?
S9 Ag9 Ag4 146.18(6) . . ?
S9 Ag9 Ag8 101.15(6) . . ?
S9 Ag9 Ag12 131.17(6) . 2_665 ?
S9 Ag9 Ag12 99.65(6) . . ?
S9 Ag9 Ag13 93.43(6) . . ?
S9 Ag9 Ag13 111.20(6) . 2_665 ?
S9 Ag9 Ag5 93.45(6) . . ?
Ag4 Ag10 Ag8 53.906(19) 3_565 3_565 ?
Ag4 Ag10 Ag7 55.659(19) 3_565 . ?
Ag4 Ag10 Ag7 65.59(2) 3_565 3_565 ?
Ag4 Ag10 Ag11 59.24(2) 3_565 . ?
Ag4 Ag10 Ag5 59.44(2) 3_565 3_565 ?
Ag7 Ag10 Ag8 55.983(19) 3_565 3_565 ?
Ag7 Ag10 Ag8 98.48(2) . 3_565 ?
Ag7 Ag10 Ag7 61.80(3) 3_565 . ?
Ag11 Ag10 Ag8 104.92(2) . 3_565 ?
Ag11 Ag10 Ag7 118.59(3) . 3_565 ?
Ag11 Ag10 Ag7 66.00(2) . . ?
Ag5 Ag10 Ag8 60.38(2) 3_565 3_565 ?
Ag5 Ag10 Ag7 109.30(2) 3_565 . ?
Ag5 Ag10 Ag7 112.05(3) 3_565 3_565 ?
Ag5 Ag10 Ag11 59.00(2) 3_565 . ?
S13 Ag10 Ag4 168.06(6) . 3_565 ?
S13 Ag10 Ag8 125.07(6) . 3_565 ?
S13 Ag10 Ag7 115.75(6) . . ?
S13 Ag10 Ag7 103.49(6) . 3_565 ?
S13 Ag10 Ag11 127.40(6) . . ?
S13 Ag10 Ag5 131.92(6) . 3_565 ?
Ag6 Ag13 Ag12 65.08(2) . . ?
Ag6 Ag13 Ag9 53.389(15) . 3_565 ?
Ag6 Ag13 Ag9 55.094(16) . . ?
Ag6 Ag13 Ag13 59.495(13) . 2_665 ?
Ag6 Ag13 Ag13 59.494(13) . 3_565 ?
Ag12 Ag13 Ag9 56.14(2) . 3_565 ?
Ag12 Ag13 Ag9 61.48(2) . . ?
Ag9 Ag13 Ag9 97.88(3) . 3_565 ?
Ag13 Ag13 Ag12 111.72(2) 3_565 . ?
Ag13 Ag13 Ag12 117.875(19) 2_665 . ?
Ag13 Ag13 Ag9 104.94(2) 2_665 3_565 ?
Ag13 Ag13 Ag9 59.83(2) 3_565 3_565 ?
Ag13 Ag13 Ag9 65.01(2) 2_665 . ?
Ag13 Ag13 Ag9 108.82(2) 3_565 . ?
Ag13 Ag13 Ag13 60.002(1) 3_565 2_665 ?
S8 Ag13 Ag6 168.40(6) . . ?
S8 Ag13 Ag12 105.39(6) . . ?
S8 Ag13 Ag9 115.21(6) . . ?
S8 Ag13 Ag9 128.01(6) . 3_565 ?
S8 Ag13 Ag13 132.04(5) . 3_565 ?
S8 Ag13 Ag13 124.70(6) . 2_665 ?
Ag4 Ag11 Ag8 62.51(2) 3_565 . ?
Ag4 Ag11 Ag7 52.941(19) 3_565 . ?
Ag4 Ag11 Ag12 55.549(19) 3_565 . ?
Ag4 Ag11 Ag10 58.80(2) 3_565 . ?
Ag4 Ag11 Ag5 59.62(2) 3_565 3_565 ?
Ag8 Ag11 Ag7 55.242(19) . . ?
Ag8 Ag11 Ag12 61.51(2) . . ?
Ag12 Ag11 Ag7 98.73(2) . . ?
Ag10 Ag11 Ag8 108.59(3) . . ?
Ag10 Ag11 Ag7 58.22(2) . . ?
Ag10 Ag11 Ag12 108.47(3) . . ?
Ag5 Ag11 Ag8 116.06(3) 3_565 . ?
Ag5 Ag11 Ag7 104.09(2) 3_565 . ?
Ag5 Ag11 Ag12 64.83(2) 3_565 . ?
Ag5 Ag11 Ag10 59.94(2) 3_565 . ?
S6 Ag11 Ag4 166.24(6) . 3_565 ?
S6 Ag11 Ag8 106.70(6) . . ?
S6 Ag11 Ag7 129.60(6) . . ?
S6 Ag11 Ag12 112.59(5) . . ?
S6 Ag11 Ag10 134.95(6) . . ?
S6 Ag11 Ag5 124.45(6) . 3_565 ?
Ag4 Ag5 Ag8 55.157(19) . . ?
Ag4 Ag5 Ag12 54.064(19) . 2_665 ?
Ag4 Ag5 Ag9 64.47(2) . . ?
Ag4 Ag5 Ag10 59.26(2) . 2_665 ?
Ag4 Ag5 Ag11 59.89(2) . 2_665 ?
Ag8 Ag5 Ag12 98.40(2) . 2_665 ?
Ag9 Ag5 Ag8 60.60(2) . . ?
Ag9 Ag5 Ag12 56.40(2) . 2_665 ?
Ag10 Ag5 Ag8 64.25(2) 2_665 . ?
Ag10 Ag5 Ag12 105.76(2) 2_665 2_665 ?
Ag10 Ag5 Ag9 116.42(3) 2_665 . ?
Ag11 Ag5 Ag8 109.36(3) 2_665 . ?
Ag11 Ag5 Ag12 60.07(2) 2_665 2_665 ?
Ag11 Ag5 Ag9 111.76(3) 2_665 . ?
Ag11 Ag5 Ag10 61.06(2) 2_665 2_665 ?
S11 Ag5 Ag4 170.93(6) . . ?
S11 Ag5 Ag8 117.64(6) . . ?
S11 Ag5 Ag12 126.56(6) . 2_665 ?
S11 Ag5 Ag9 107.72(6) . . ?
S11 Ag5 Ag10 124.56(6) . 2_665 ?
S11 Ag5 Ag11 129.03(6) . 2_665 ?
S7 Cd2 S10 95.84(7) . . ?
S6 Cd2 S10 97.76(7) . . ?
S6 Cd2 S7 105.74(8) . . ?
S3 Cd2 S10 113.93(8) . . ?
S3 Cd2 S7 109.58(8) . . ?
S3 Cd2 S6 128.76(8) . . ?
S14 Ag3 S14 109.55(5) 3_565 2_665 ?
S14 Ag3 S14 109.56(5) 3_565 . ?
S14 Ag3 S14 109.56(5) . 2_665 ?
P4 Ag3 S14 109.39(5) . 2_665 ?
P4 Ag3 S14 109.39(5) . . ?
P4 Ag3 S14 109.39(5) . 3_565 ?
S10 Cd4 S9 94.25(7) . . ?
S11 Cd4 S10 110.17(7) . . ?
S11 Cd4 S9 96.75(8) . . ?
S5 Cd4 S10 108.85(8) . . ?
S5 Cd4 S9 117.37(8) . . ?
S5 Cd4 S11 124.96(9) . . ?
S7 Cd5 S9 93.95(7) . . ?
S8 Cd5 S7 96.06(8) . . ?
S8 Cd5 S9 111.47(8) . . ?
S4 Cd5 S7 114.32(8) . . ?
S4 Cd5 S9 103.22(9) . . ?
S4 Cd5 S8 131.72(8) . . ?
S5 Ag14 S3 105.50(8) . . ?
P3 Ag14 S5 107.93(9) . . ?
P3 Ag14 S3 111.29(9) . . ?
P3 Ag14 S4 110.26(8) . . ?
S4 Ag14 S5 113.08(9) . . ?
S4 Ag14 S3 108.70(9) . . ?
Ag7 S12 Cd3 111.67(8) . . ?
Ag7 S12 Cd3 104.83(8) . 2_665 ?
Cd3 S12 Cd3 116.73(8) 2_665 . ?
C011 S12 Ag7 111.7(2) . . ?
C011 S12 Cd3 102.7(3) . . ?
C011 S12 Cd3 109.4(3) . 2_665 ?
Ag8 S10 Cd2 107.63(8) . . ?
Ag8 S10 Cd4 110.29(8) . . ?
Cd4 S10 Cd2 114.13(8) . . ?
C012 S10 Ag8 109.8(2) . . ?
C012 S10 Cd2 102.4(3) . . ?
C012 S10 Cd4 112.2(3) . . ?
Cd3 S13 Ag10 97.84(8) . . ?
C01H S13 Cd3 103.8(3) . . ?
C01H S13 Ag10 106.4(3) . . ?
Ag12 S7 Cd2 109.48(8) . . ?
Ag12 S7 Cd5 106.79(8) . . ?
Cd2 S7 Cd5 116.38(9) . . ?
C017 S7 Ag12 111.5(3) . . ?
C017 S7 Cd2 103.7(3) . . ?
C017 S7 Cd5 109.0(3) . . ?
Cd3 S14 Ag3 110.72(8) . . ?
C01F S14 Cd3 102.4(3) . . ?
C01F S14 Ag3 108.3(3) . . ?
Ag9 S9 Cd4 106.66(8) . . ?
Ag9 S9 Cd5 107.82(9) . . ?
Cd5 S9 Cd4 118.72(9) . . ?
C01W S9 Ag9 107.9(3) . . ?
C01W S9 Cd4 106.8(3) . . ?
C01W S9 Cd5 108.5(3) . . ?
Ag13 S8 Cd5 96.25(7) . . ?
C5AA S8 Ag13 104.0(5) . . ?
C5AA S8 Cd5 104.6(5) . . ?
C46 S8 Ag13 112.9(5) . . ?
C46 S8 Cd5 110.5(3) . . ?
Ag5 S11 Cd4 94.34(8) . . ?
C01P S11 Ag5 106.3(3) . . ?
C01P S11 Cd4 97.5(3) . . ?
Cd2 S6 Ag11 97.96(8) . . ?
C01I S6 Ag11 107.7(3) . . ?
C01I S6 Cd2 102.4(3) . . ?
C013 P4 Ag3 114.9(3) . . ?
C013 P4 Ag3 114.9(3) 2_665 . ?
C013 P4 Ag3 114.9(3) 3_565 . ?
C013 P4 C013 103.6(4) 2_665 . ?
C013 P4 C013 103.6(4) 2_665 3_565 ?
C013 P4 C013 103.6(4) . 3_565 ?
Cd4 S5 Ag14 108.22(10) . . ?
C02K S5 Cd4 97.7(3) . . ?
C02K S5 Ag14 110.7(3) . . ?
C018 P3 Ag14 111.5(2) . . ?
C026 P3 Ag14 115.6(3) . . ?
C026 P3 C018 106.2(4) . . ?
C029 P3 Ag14 115.0(3) . . ?
C029 P3 C018 103.4(4) . . ?
C029 P3 C026 104.1(4) . . ?
Cd2 S3 Ag14 111.77(10) . . ?
C01X S3 Cd2 102.2(3) . . ?
C01X S3 Ag14 107.4(3) . . ?
Cd5 S4 Ag14 114.63(9) . . ?
C02G S4 Cd5 102.2(3) . . ?
C02G S4 Ag14 109.7(3) . . ?
C01U O00Z C02N 118.0(9) . . ?
C019 C011 S12 120.0(4) . . ?
C019 C011 C015 120.0 . . ?
C015 C011 S12 120.0(4) . . ?
C011 C019 H019 120.0 . . ?
C02S C019 C011 120.0 . . ?
C02S C019 H019 120.0 . . ?
C019 C02S H02S 120.0 . . ?
C019 C02S C03F 120.0 . . ?
C03F C02S H02S 120.0 . . ?
C02S C03F C02I 120.0 . . ?
O024 C03F C02S 118.7(6) . . ?
O024 C03F C02I 121.2(6) . . ?
C03F C02I H02I 120.0 . . ?
C015 C02I C03F 120.0 . . ?
C015 C02I H02I 120.0 . . ?
C011 C015 H015 120.0 . . ?
C02I C015 C011 120.0 . . ?
C02I C015 H015 120.0 . . ?
C014 C012 S10 119.9(3) . . ?
C014 C012 C01O 120.0 . . ?
C01O C012 S10 120.0(3) . . ?
C012 C014 H014 120.0 . . ?
C022 C014 C012 120.0 . . ?
C022 C014 H014 120.0 . . ?
C014 C022 H022 120.0 . . ?
C02M C022 C014 120.0 . . ?
C02M C022 H022 120.0 . . ?
C022 C02M C02L 120.0 . . ?
O01V C02M C022 124.3(6) . . ?
O01V C02M C02L 115.7(6) . . ?
C02M C02L H02L 120.0 . . ?
C01O C02L C02M 120.0 . . ?
C01O C02L H02L 120.0 . . ?
C012 C01O H01O 120.0 . . ?
C02L C01O C012 120.0 . . ?
C02L C01O H01O 120.0 . . ?
C01A C013 P4 123.0(8) . . ?
C01A C013 C01D 118.7(9) . . ?
C01D C013 P4 118.3(7) . . ?
C02B C017 S7 120.1(4) . . ?
C02B C017 C027 120.0 . . ?
C027 C017 S7 119.9(4) . . ?
C017 C02B H02B 120.0 . . ?
C02T C02B C017 120.0 . . ?
C02T C02B H02B 120.0 . . ?
C02B C02T H02T 120.0 . . ?
C02B C02T C034 120.0 . . ?
C034 C02T H02T 120.0 . . ?
C02T C034 C03I 120.0 . . ?
O01N C034 C02T 124.5(7) . . ?
O01N C034 C03I 115.4(7) . . ?
C034 C03I H03I 120.0 . . ?
C027 C03I C034 120.0 . . ?
C027 C03I H03I 120.0 . . ?
C017 C027 H027 120.0 . . ?
C03I C027 C017 120.0 . . ?
C03I C027 H027 120.0 . . ?
C01Q C018 P3 122.3(4) . . ?
C01Q C018 C02C 120.0 . . ?
C02C C018 P3 117.6(4) . . ?
C018 C01Q H01Q 120.0 . . ?
C018 C01Q C035 120.0 . . ?
C035 C01Q H01Q 120.0 . . ?
C01Q C035 H035 120.0 . . ?
C02V C035 C01Q 120.0 . . ?
C02V C035 H035 120.0 . . ?
C035 C02V H02V 120.0 . . ?
C035 C02V C02Y 120.0 . . ?
C02Y C02V H02V 120.0 . . ?
C02V C02Y H02Y 120.0 . . ?
C02C C02Y C02V 120.0 . . ?
C02C C02Y H02Y 120.0 . . ?
C018 C02C H02C 120.0 . . ?
C02Y C02C C018 120.0 . . ?
C02Y C02C H02C 120.0 . . ?
C013 C01A H01A 120.1 . . ?
C013 C01A C01M 119.7(10) . . ?
C01M C01A H01A 120.1 . . ?
C01E C01B H01B 118.9 . . ?
C01E C01B C01F 122.1(9) . . ?
C01F C01B H01B 118.9 . . ?
C01L C01C H01C 119.4 . . ?
C01M C01C H01C 119.4 . . ?
C01M C01C C01L 121.1(10) . . ?
C013 C01D H01D 119.7 . . ?
C01L C01D C013 120.6(9) . . ?
C01L C01D H01D 119.7 . . ?
C01B C01E H01E 120.6 . . ?
C01B C01E C01U 118.7(10) . . ?
C01U C01E H01E 120.6 . . ?
C01B C01F S14 120.9(7) . . ?
C01B C01F C01G 118.4(9) . . ?
C01G C01F S14 120.7(7) . . ?
C01F C01G H01G 120.0 . . ?
C01F C01G C01K 119.9(10) . . ?
C01K C01G H01G 120.0 . . ?
C02F C01H S13 121.4(5) . . ?
C02F C01H C031 120.0 . . ?
C031 C01H S13 118.5(5) . . ?
C01H C02F H02F 120.0 . . ?
C17 C02F C01H 120.0 . . ?
C17 C02F H02F 120.0 . . ?
C02F C17 H17 120.0 . . ?
C22 C17 C02F 120.0 . . ?
C22 C17 H17 120.0 . . ?
C17 C22 C03G 120.0 . . ?
C17 C22 O1 119.7(8) . . ?
C03G C22 O1 120.2(8) . . ?
C22 C03G H03G 120.0 . . ?
C031 C03G C22 120.0 . . ?
C031 C03G H03G 120.0 . . ?
C01H C031 H031 120.0 . . ?
C03G C031 C01H 120.0 . . ?
C03G C031 H031 120.0 . . ?
C021 C01I S6 120.4(4) . . ?
C021 C01I C02R 120.0 . . ?
C02R C01I S6 119.6(4) . . ?
C01I C021 H021 120.0 . . ?
C01I C021 C02U 120.0 . . ?
C02U C021 H021 120.0 . . ?
C021 C02U H02U 120.0 . . ?
C039 C02U C021 120.0 . . ?
C039 C02U H02U 120.0 . . ?
C02U C039 C03P 120.0 . . ?
O02H C039 C02U 113.8(7) . . ?
O02H C039 C03P 126.2(7) . . ?
C039 C03P H03P 120.0 . . ?
C02R C03P C039 120.0 . . ?
C02R C03P H03P 120.0 . . ?
C01I C02R H02R 120.0 . . ?
C03P C02R C01I 120.0 . . ?
C03P C02R H02R 120.0 . . ?
C01G C01K H01K 120.1 . . ?
C01U C01K C01G 119.7(10) . . ?
C01U C01K H01K 120.1 . . ?
C01C C01L H01L 120.0 . . ?
C01D C01L C01C 119.9(10) . . ?
C01D C01L H01L 120.0 . . ?
C01A C01M H01M 120.0 . . ?
C01C C01M C01A 120.0(10) . . ?
C01C C01M H01M 120.0 . . ?
C034 O01N C6 115.5(10) . . ?
C02W O01S C10 120.7(10) . . ?
C01E C01U O00Z 114.8(9) . . ?
C01K C01U O00Z 124.1(9) . . ?
C01K C01U C01E 121.1(10) . . ?
C02M O01V C4AA 115.6(9) . . ?
C02X C01W S9 120.6(9) . . ?
C02X C01W C6CA 121.2(13) . . ?
C8CA C01W S9 121.0(9) . . ?
C6CA C01W S9 118.0(9) . . ?
C35 C01W S9 121.7(9) . . ?
C35 C01W C8CA 116.8(14) . . ?
C02Q O023 C1 118.8(10) . . ?
C03F O024 C0BA 116.7(10) . . ?
C02E C026 P3 117.9(5) . . ?
C02E C026 C037 120.0 . . ?
C037 C026 P3 122.0(5) . . ?
C026 C02E H02E 120.0 . . ?
C03H C02E C026 120.0 . . ?
C03H C02E H02E 120.0 . . ?
C02E C03H H03H 120.0 . . ?
C02E C03H C52 120.0 . . ?
C52 C03H H03H 120.0 . . ?
C03H C52 H52 120.0 . . ?
C03H C52 C36 120.0 . . ?
C36 C52 H52 120.0 . . ?
C52 C36 H36 120.0 . . ?
C037 C36 C52 120.0 . . ?
C037 C36 H36 120.0 . . ?
C026 C037 H037 120.0 . . ?
C36 C037 C026 120.0 . . ?
C36 C037 H037 120.0 . . ?
C4 C029 P3 122.7(5) . . ?
C4 C029 C03B 120.0 . . ?
C03B C029 P3 117.3(5) . . ?
C029 C4 H4 120.0 . . ?
C7AA C4 C029 120.0 . . ?
C7AA C4 H4 120.0 . . ?
C4 C7AA H7AA 120.0 . . ?
C4 C7AA C58 120.0 . . ?
C58 C7AA H7AA 120.0 . . ?
C7AA C58 H58 120.0 . . ?
C03V C58 C7AA 120.0 . . ?
C03V C58 H58 120.0 . . ?
C58 C03V H03V 120.0 . . ?
C03B C03V C58 120.0 . . ?
C03B C03V H03V 120.0 . . ?
C029 C03B H03B 120.0 . . ?
C03V C03B C029 120.0 . . ?
C03V C03B H03B 120.0 . . ?
C02Q C02A H02A 119.5 . . ?
C02X C02A H02A 119.5 . . ?
C02X C02A C02Q 121.1(15) . . ?
C02O C02D H02D 120.0 . . ?
C02O C02D C01X 120.0 . . ?
C01X C02D H02D 120.0 . . ?
C02D C02O H02O 120.0 . . ?
C02W C02O C02D 120.0 . . ?
C02W C02O H02O 120.0 . . ?
O01S C02W C02O 124.6(6) . . ?
O01S C02W C01Z 115.3(6) . . ?
C02O C02W C01Z 120.0 . . ?
C02W C01Z H01Z 120.0 . . ?
C01J C01Z C02W 120.0 . . ?
C01J C01Z H01Z 120.0 . . ?
C01Z C01J H01J 120.0 . . ?
C01Z C01J C01X 120.0 . . ?
C01X C01J H01J 120.0 . . ?
C02D C01X S3 119.8(4) . . ?
C01J C01X S3 120.2(4) . . ?
C01J C01X C02D 120.0 . . ?
C01R C02G S4 121.3(5) . . ?
C01R C02G C03J 120.0 . . ?
C03J C02G S4 118.7(5) . . ?
C02G C01R H01R 120.0 . . ?
C02Z C01R C02G 120.0 . . ?
C02Z C01R H01R 120.0 . . ?
C01R C02Z H02Z 120.0 . . ?
C01R C02Z C164 120.0 . . ?
C164 C02Z H02Z 120.0 . . ?
C02Z C164 O03K 115.4(9) . . ?
C100 C164 C02Z 120.0 . . ?
C100 C164 O03K 124.6(9) . . ?
C164 C100 H100 120.0 . . ?
C03J C100 C164 120.0 . . ?
C03J C100 H100 120.0 . . ?
C02G C03J H03J 120.0 . . ?
C100 C03J C02G 120.0 . . ?
C100 C03J H03J 120.0 . . ?
C039 O02H C21 115.9(10) . . ?
C3AA O02J C03A 127.0(8) . . ?
C03N C02K S5 120.6(5) . . ?
C03N C02K C02P 120.0 . . ?
C02P C02K S5 119.4(5) . . ?
C02K C03N H03N 120.0 . . ?
C02K C03N C31 120.0 . . ?
C31 C03N H03N 120.0 . . ?
C03N C31 H31 120.0 . . ?
C39 C31 C03N 120.0 . . ?
C39 C31 H31 120.0 . . ?
C31 C39 C036 120.0 . . ?
C31 C39 O03C 127.5(8) . . ?
C036 C39 O03C 111.2(8) . . ?
C39 C036 H036 120.0 . . ?
C39 C036 C02P 120.0 . . ?
C02P C036 H036 120.0 . . ?
C02K C02P H02P 120.0 . . ?
C036 C02P C02K 120.0 . . ?
C036 C02P H02P 120.0 . . ?
O00Z C02N H02G 109.5 . . ?
O00Z C02N H02H 109.5 . . ?
O00Z C02N H02J 109.5 . . ?
H02G C02N H02H 109.5 . . ?
H02G C02N H02J 109.5 . . ?
H02H C02N H02J 109.5 . . ?
C02A C02Q O023 122.1(10) . . ?
C02A C02Q C15 120.2(13) . . ?
C7CA C02Q O023 119.7(11) . . ?
C15 C02Q O023 117.8(10) . . ?
C51 C02Q O023 117.2(11) . . ?
C51 C02Q C7CA 121.4(14) . . ?
C01W C02X C02A 118.0(14) . . ?
C01W C02X H02X 121.0 . . ?
C02A C02X H02X 121.0 . . ?
C01P C030 H030 120.0 . . ?
C01P C030 C032 120.0 . . ?
C032 C030 H030 120.0 . . ?
C030 C01P S11 121.0(5) . . ?
C025 C01P S11 119.0(5) . . ?
C025 C01P C030 120.0 . . ?
C01P C025 H025 120.0 . . ?
C01P C025 C033 120.0 . . ?
C033 C025 H025 120.0 . . ?
C025 C033 H033 120.0 . . ?
C03A C033 C025 120.0 . . ?
C03A C033 H033 120.0 . . ?
C033 C03A O02J 117.8(6) . . ?
C032 C03A O02J 122.2(6) . . ?
C032 C03A C033 120.0 . . ?
C030 C032 H032 120.0 . . ?
C03A C032 C030 120.0 . . ?
C03A C032 H032 120.0 . . ?
C39 O03C C26 109.2(11) . . ?
C164 O03K C8AA 115.6(12) . . ?
O023 C1 H1A 109.5 . . ?
O023 C1 H1B 109.5 . . ?
O023 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
S1 Ag1 S1 100.3(3) . 3 ?
S1 Ag1 S1 100.3(3) 2 3 ?
S1 Ag1 S1 100.3(3) . 2 ?
P2 Ag1 S1 117.6(2) . . ?
P2 Ag1 S1 117.6(2) . 3 ?
P2 Ag1 S1 117.6(2) . 2 ?
Ag2 Ag2 Ag2 100.71(12) 5_556 6_556 ?
S2 Ag2 Ag2 55.7(2) 5_556 5_556 ?
S2 Ag2 Ag2 55.7(3) . 6_556 ?
S2 Ag2 Ag2 154.7(3) . 5_556 ?
S2 Ag2 Ag2 115.1(3) 5_556 6_556 ?
S2 Ag2 S2 122.1(2) 5_556 . ?
S2 Ag2 Cl1 103.9(2) . . ?
S2 Ag2 Cl1 130.5(3) 5_556 . ?
Cl1 Ag2 Ag2 74.90(16) . 6_556 ?
Cl1 Ag2 Ag2 74.90(16) . 5_556 ?
S1 Cd1 Cl4A 82.1(3) . 5_556 ?
S1 Cd1 Cl4A 91.5(3) . . ?
Cl4A Cd1 Cl4A 154.8(4) . 5_556 ?
P1 Cd1 S1 124.8(4) . . ?
P1 Cd1 Cl4A 99.0(4) . 5_556 ?
P1 Cd1 Cl4A 104.5(4) . . ?
Ag1 S1 Cd1 143.3(4) . . ?
C7 S1 Ag1 98.2(5) . . ?
C7 S1 Cd1 113.0(5) . . ?
Ag2 S2 Ag2 68.6(3) 6_556 . ?
C64 S2 Ag2 118.7(6) . 6_556 ?
C64 S2 Ag2 108.7(5) . . ?
C30 P2 Ag1 117.4(18) 3 . ?
C30 P2 Ag1 117.4(18) 2 . ?
C30 P2 Ag1 117.4(18) . . ?
C30 P2 C30 100(2) 2 . ?
C30 P2 C30 100(2) 2 3 ?
C30 P2 C30 100(2) 3 . ?
Cd1 Cl4A Cd1 102.8(3) . 6_556 ?
C45 P1 Cd1 120.2(12) . . ?
C2 P1 Cd1 115.4(10) . . ?
C2 P1 C45 96.5(17) . . ?
C14 P1 Cd1 115.2(12) . . ?
C14 P1 C45 106.6(14) . . ?
C14 P1 C2 99.6(17) . . ?
C48 C45 P1 131(2) . . ?
C48 C45 C40 120.0 . . ?
C40 C45 P1 109(2) . . ?
C45 C48 H48 120.0 . . ?
C45 C48 C47 120.0 . . ?
C47 C48 H48 120.0 . . ?
C48 C47 H47 120.0 . . ?
C33 C47 C48 120.0 . . ?
C33 C47 H47 120.0 . . ?
C47 C33 H33 120.0 . . ?
C47 C33 C65 120.0 . . ?
C65 C33 H33 120.0 . . ?
C33 C65 H65 120.0 . . ?
C40 C65 C33 120.0 . . ?
C40 C65 H65 120.0 . . ?
C45 C40 H40 120.0 . . ?
C65 C40 C45 120.0 . . ?
C65 C40 H40 120.0 . . ?
O01N C6 H6A 109.5 . . ?
O01N C6 H6B 109.5 . . ?
O01N C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
O02H C21 H21A 109.5 . . ?
O02H C21 H21B 109.5 . . ?
O02H C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
Ag2 Cl1 Ag2 108.9(3) 2 . ?
Ag2 Cl1 Ag2 108.9(3) 3 . ?
O01V C4AA H4AA 109.5 . . ?
O01V C4AA H4AB 109.5 . . ?
O01V C4AA H4AC 109.5 . . ?
H4AA C4AA H4AB 109.5 . . ?
H4AA C4AA H4AC 109.5 . . ?
H4AB C4AA H4AC 109.5 . . ?
O03K C8AA H8AA 109.5 . . ?
O03K C8AA H8AB 109.5 . . ?
O03K C8AA H8AC 109.5 . . ?
H8AA C8AA H8AB 109.5 . . ?
H8AA C8AA H8AC 109.5 . . ?
H8AB C8AA H8AC 109.5 . . ?
O024 C0BA H0BA 109.5 . . ?
O024 C0BA H0BB 109.5 . . ?
O024 C0BA H0BC 109.5 . . ?
H0BA C0BA H0BB 109.5 . . ?
H0BA C0BA H0BC 109.5 . . ?
H0BB C0BA H0BC 109.5 . . ?
O01S C10 H10A 109.5 . . ?
O01S C10 H10B 109.5 . . ?
O01S C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C6AA C5AA S8 119.4(8) . . ?
C6AA C5AA C0CA 120.0 . . ?
C0CA C5AA S8 120.6(8) . . ?
C5AA C6AA H6AA 120.0 . . ?
C5AA C6AA C9 120.0 . . ?
C9 C6AA H6AA 120.0 . . ?
C6AA C9 H9 120.0 . . ?
C6AA C9 C4CA 120.0 . . ?
C4CA C9 H9 120.0 . . ?
C9 C4CA C5CA 120.0 . . ?
C9 C4CA O2 125.4(10) . . ?
C5CA C4CA O2 114.6(10) . . ?
C4CA C5CA H5CA 120.0 . . ?
C0CA C5CA C4CA 120.0 . . ?
C0CA C5CA H5CA 120.0 . . ?
C5AA C0CA H0CA 120.0 . . ?
C5CA C0CA C5AA 120.0 . . ?
C5CA C0CA H0CA 120.0 . . ?
C1CA O3 C129 116.2(15) . . ?
C46 C11 H11 120.0 . . ?
C46 C11 C3CA 120.0 . . ?
C3CA C11 H11 120.0 . . ?
C11 C46 S8 123.5(8) . . ?
C11 C46 C13 120.0 . . ?
C13 C46 S8 116.5(8) . . ?
C46 C13 H13 120.0 . . ?
C2CA C13 C46 120.0 . . ?
C2CA C13 H13 120.0 . . ?
C13 C2CA H2CA 120.0 . . ?
C1CA C2CA C13 120.0 . . ?
C1CA C2CA H2CA 120.0 . . ?
O3 C1CA C2CA 117.0(11) . . ?
O3 C1CA C3CA 122.8(11) . . ?
C3CA C1CA C2CA 120.0 . . ?
C11 C3CA H3CA 120.0 . . ?
C1CA C3CA C11 120.0 . . ?
C1CA C3CA H3CA 120.0 . . ?
C4CA O2 C2AA 118.5(14) . . ?
C01W C8CA H8CA 119.7 . . ?
C01W C8CA C7CA 120.6(16) . . ?
C7CA C8CA H8CA 119.7 . . ?
C02Q C7CA C8CA 118.4(16) . . ?
C02Q C7CA H7CA 120.8 . . ?
C8CA C7CA H7CA 120.8 . . ?
C01W C6CA H6CA 120.1 . . ?
C15 C6CA C01W 119.7(15) . . ?
C15 C6CA H6CA 120.1 . . ?
C02Q C15 H15 120.4 . . ?
C6CA C15 C02Q 119.2(16) . . ?
C6CA C15 H15 120.4 . . ?
O03C C26 H26A 109.5 . . ?
O03C C26 H26B 109.5 . . ?
O03C C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C01W C35 H35 117.9 . . ?
C01W C35 C51 124.2(16) . . ?
C51 C35 H35 117.9 . . ?
C02Q C51 H51 122.7 . . ?
C35 C51 C02Q 114.6(15) . . ?
C35 C51 H51 122.7 . . ?
O2 C2AA H2AA 109.5 . . ?
O2 C2AA H2AB 109.5 . . ?
O2 C2AA H2AC 109.5 . . ?
H2AA C2AA H2AB 109.5 . . ?
H2AA C2AA H2AC 109.5 . . ?
H2AB C2AA H2AC 109.5 . . ?
O3 C129 H12A 109.5 . . ?
O3 C129 H12B 109.5 . . ?
O3 C129 H12C 109.5 . . ?
H12A C129 H12B 109.5 . . ?
H12A C129 H12C 109.5 . . ?
H12B C129 H12C 109.5 . . ?
O02J C3AA H3AA 109.7 . . ?
O02J C3AA H3AB 111.5 . . ?
O02J C3AA H3AC 107.2 . . ?
H3AA C3AA H3AB 109.4 . . ?
H3AA C3AA H3AC 109.5 . . ?
H3AB C3AA H3AC 109.5 . . ?
C3 C2 P1 123(2) . . ?
C3 C2 C8 120.0 . . ?
C8 C2 P1 117(2) . . ?
C2 C3 H3 120.0 . . ?
C24 C3 C2 120.0 . . ?
C24 C3 H3 120.0 . . ?
C3 C24 H24 120.0 . . ?
C3 C24 C5 120.0 . . ?
C5 C24 H24 120.0 . . ?
C24 C5 H5 120.0 . . ?
C12 C5 C24 120.0 . . ?
C12 C5 H5 120.0 . . ?
C5 C12 H12 120.0 . . ?
C8 C12 C5 120.0 . . ?
C8 C12 H12 120.0 . . ?
C2 C8 H8 120.0 . . ?
C12 C8 C2 120.0 . . ?
C12 C8 H8 120.0 . . ?
C16 C14 P1 117.0(18) . . ?
C16 C14 C20 120.0 . . ?
C20 C14 P1 122.3(18) . . ?
C14 C16 H16 120.0 . . ?
C18 C16 C14 120.0 . . ?
C18 C16 H16 120.0 . . ?
C16 C18 H18 120.0 . . ?
C16 C18 C19 120.0 . . ?
C19 C18 H18 120.0 . . ?
C18 C19 H19 120.0 . . ?
C23 C19 C18 120.0 . . ?
C23 C19 H19 120.0 . . ?
C19 C23 H23 120.0 . . ?
C19 C23 C20 120.0 . . ?
C20 C23 H23 120.0 . . ?
C14 C20 H20 120.0 . . ?
C23 C20 C14 120.0 . . ?
C23 C20 H20 120.0 . . ?
C29 C25 H25 120.0 . . ?
C29 C25 C7 120.0 . . ?
C7 C25 H25 120.0 . . ?
C25 C29 H29 120.0 . . ?
C27 C29 C25 120.0 . . ?
C27 C29 H29 120.0 . . ?
C66 C27 C29 120.0 . . ?
O29 C27 C29 119.7(6) . . ?
O29 C27 C66 119.7(6) . . ?
C27 C66 H66 120.0 . . ?
C27 C66 C28 120.0 . . ?
C28 C66 H66 120.0 . . ?
C66 C28 H28 120.0 . . ?
C66 C28 C7 120.0 . . ?
C7 C28 H28 120.0 . . ?
C25 C7 S1 120.0(8) . . ?
C28 C7 S1 120.0(8) . . ?
C28 C7 C25 120.0 . . ?
C44 C30 P2 119(3) . . ?
C44 C30 C37 120.0 . . ?
C37 C30 P2 121(3) . . ?
C30 C44 H44 120.0 . . ?
C30 C44 C32 120.0 . . ?
C32 C44 H44 120.0 . . ?
C44 C32 H32 120.0 . . ?
C44 C32 C70 120.0 . . ?
C70 C32 H32 120.0 . . ?
C32 C70 H70 120.0 . . ?
C34 C70 C32 120.0 . . ?
C34 C70 H70 120.0 . . ?
C70 C34 H34 120.0 . . ?
C70 C34 C37 120.0 . . ?
C37 C34 H34 120.0 . . ?
C30 C37 H37 120.0 . . ?
C34 C37 C30 120.0 . . ?
C34 C37 H37 120.0 . . ?
C42 C56 C38 120.0 . . ?
C56 C42 C67 120.0 . . ?
C141 C67 C42 120.0 . . ?
C67 C141 C41 120.0 . . ?
C38 C41 C141 120.0 . . ?
C41 C38 C56 120.0 . . ?
C59 C63 H63 120.0 . . ?
C59 C63 C62 120.0 . . ?
C62 C63 H63 120.0 . . ?
C63 C59 H59 120.0 . . ?
C63 C59 C64 120.0 . . ?
C64 C59 H59 120.0 . . ?
C59 C64 S2 122.6(4) . . ?
C61 C64 S2 117.4(4) . . ?
C61 C64 C59 120.0 . . ?
C64 C61 H61 120.0 . . ?
C64 C61 C57 120.0 . . ?
C57 C61 H61 120.0 . . ?
C61 C57 H57 120.0 . . ?
C62 C57 C61 120.0 . . ?
C62 C57 H57 120.0 . . ?
C57 C62 C63 120.0 . . ?
O4 C62 C63 118.7(6) 5_556 . ?
O4 C62 C57 117.8(9) 5_556 . ?
C62 O4 C49 132(2) 6_556 . ?
O4 C49 H49A 102.8 . . ?
O4 C49 H49B 115.6 . . ?
O4 C49 H49C 109.8 . . ?
H49A C49 H49B 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ag8 S10 C012 C014 6.4(5) . . . . ?
Ag8 S10 C012 C01O -172.6(4) . . . . ?
Ag7 S12 C011 C019 157.2(4) . . . . ?
Ag7 S12 C011 C015 -24.5(5) . . . . ?
Ag12 S7 C017 C02B -24.2(6) . . . . ?
Ag12 S7 C017 C027 155.7(4) . . . . ?
Cd3 S12 C011 C019 41.6(5) 2_665 . . . ?
Cd3 S12 C011 C019 -83.0(5) . . . . ?
Cd3 S12 C011 C015 95.3(4) . . . . ?
Cd3 S12 C011 C015 -140.1(4) 2_665 . . . ?
Cd3 S13 C01H C02F 33.9(6) . . . . ?
Cd3 S13 C01H C031 -148.6(5) . . . . ?
Cd3 S14 C01F C01B -115.8(7) . . . . ?
Cd3 S14 C01F C01G 65.9(8) . . . . ?
Ag9 S9 C01W C02X 15.5(10) . . . . ?
Ag9 S9 C01W C8CA 142.6(12) . . . . ?
Ag9 S9 C01W C6CA -168.8(9) . . . . ?
Ag9 S9 C01W C35 -28.9(9) . . . . ?
Ag10 S13 C01H C02F 136.5(5) . . . . ?
Ag10 S13 C01H C031 -46.0(6) . . . . ?
Ag13 S8 C5AA C6AA -135.7(7) . . . . ?
Ag13 S8 C5AA C0CA 41.6(8) . . . . ?
Ag13 S8 C46 C11 9.6(7) . . . . ?
Ag13 S8 C46 C13 -169.4(6) . . . . ?
Ag11 S6 C01I C021 -34.9(6) . . . . ?
Ag11 S6 C01I C02R 147.1(4) . . . . ?
Ag5 S11 C01P C030 -154.6(4) . . . . ?
Ag5 S11 C01P C025 25.7(5) . . . . ?
Cd2 S10 C012 C014 -107.8(4) . . . . ?
Cd2 S10 C012 C01O 73.3(5) . . . . ?
Cd2 S7 C017 C02B 93.5(5) . . . . ?
Cd2 S7 C017 C027 -86.6(5) . . . . ?
Cd2 S6 C01I C021 -137.5(5) . . . . ?
Cd2 S6 C01I C02R 44.5(5) . . . . ?
Cd2 S3 C01X C02D 52.9(5) . . . . ?
Cd2 S3 C01X C01J -126.9(4) . . . . ?
Ag3 S14 C01F C01B 1.2(8) . . . . ?
Ag3 S14 C01F C01G -177.0(7) . . . . ?
Ag3 P4 C013 C01A 134.7(8) . . . . ?
Ag3 P4 C013 C01D -44.4(8) . . . . ?
Cd4 S10 C012 C014 129.4(4) . . . . ?
Cd4 S10 C012 C01O -49.5(5) . . . . ?
Cd4 S9 C01W C02X -98.8(9) . . . . ?
Cd4 S9 C01W C8CA 28.2(12) . . . . ?
Cd4 S9 C01W C6CA 76.9(10) . . . . ?
Cd4 S9 C01W C35 -143.3(9) . . . . ?
Cd4 S11 C01P C030 108.6(4) . . . . ?
Cd4 S11 C01P C025 -71.1(5) . . . . ?
Cd4 S5 C02K C03N -112.2(5) . . . . ?
Cd4 S5 C02K C02P 65.6(5) . . . . ?
Cd5 S7 C017 C02B -141.8(4) . . . . ?
Cd5 S7 C017 C027 38.0(5) . . . . ?
Cd5 S9 C01W C02X 132.1(9) . . . . ?
Cd5 S9 C01W C8CA -100.8(12) . . . . ?
Cd5 S9 C01W C6CA -52.2(10) . . . . ?
Cd5 S9 C01W C35 87.7(9) . . . . ?
Cd5 S8 C5AA C6AA 123.9(7) . . . . ?
Cd5 S8 C5AA C0CA -58.8(8) . . . . ?
Cd5 S8 C46 C11 -97.0(7) . . . . ?
Cd5 S8 C46 C13 84.0(6) . . . . ?
Cd5 S4 C02G C01R -119.9(5) . . . . ?
Cd5 S4 C02G C03J 58.7(5) . . . . ?
Ag14 S5 C02K C03N 0.7(6) . . . . ?
Ag14 S5 C02K C02P 178.4(4) . . . . ?
Ag14 P3 C018 C01Q 125.9(4) . . . . ?
Ag14 P3 C018 C02C -51.7(4) . . . . ?
Ag14 P3 C026 C02E -46.9(5) . . . . ?
Ag14 P3 C026 C037 128.4(4) . . . . ?
Ag14 P3 C029 C4 131.4(5) . . . . ?
Ag14 P3 C029 C03B -45.5(6) . . . . ?
Ag14 S3 C01X C02D 170.7(4) . . . . ?
Ag14 S3 C01X C01J -9.2(5) . . . . ?
Ag14 S4 C02G C01R 2.1(6) . . . . ?
Ag14 S4 C02G C03J -179.3(4) . . . . ?
S12 C011 C019 C02S 178.3(6) . . . . ?
S12 C011 C015 C02I -178.3(6) . . . . ?
S10 C012 C014 C022 -178.9(7) . . . . ?
S10 C012 C01O C02L 178.9(7) . . . . ?
S13 C01H C02F C17 177.5(8) . . . . ?
S13 C01H C031 C03G -177.6(8) . . . . ?
S7 C017 C02B C02T 179.8(7) . . . . ?
S7 C017 C027 C03I -179.8(7) . . . . ?
S14 C01F C01G C01K 179.1(7) . . . . ?
S9 C01W C02X C02A -176.6(7) . . . . ?
S9 C01W C8CA C7CA 176.7(16) . . . . ?
S9 C01W C6CA C15 174.6(14) . . . . ?
S9 C01W C35 C51 178.1(10) . . . . ?
S8 C5AA C6AA C9 177.3(10) . . . . ?
S8 C5AA C0CA C5CA -177.3(11) . . . . ?
S8 C46 C13 C2CA 179.0(6) . . . . ?
S11 C01P C025 C033 179.6(6) . . . . ?
S6 C01I C021 C02U -178.0(7) . . . . ?
S6 C01I C02R C03P 178.0(7) . . . . ?
P4 C013 C01A C01M -179.9(8) . . . . ?
P4 C013 C01D C01L 179.5(8) . . . . ?
S5 C02K C03N C31 177.8(7) . . . . ?
S5 C02K C02P C036 -177.8(7) . . . . ?
P3 C018 C01Q C035 -177.6(6) . . . . ?
P3 C018 C02C C02Y 177.7(5) . . . . ?
P3 C026 C02E C03H 175.4(6) . . . . ?
P3 C026 C037 C36 -175.2(7) . . . . ?
P3 C029 C4 C7AA -176.8(8) . . . . ?
P3 C029 C03B C03V 177.0(7) . . . . ?
S4 C02G C01R C02Z 178.5(8) . . . . ?
S4 C02G C03J C100 -178.6(7) . . . . ?
C011 C019 C02S C03F 0.0 . . . . ?
C019 C011 C015 C02I 0.0 . . . . ?
C019 C02S C03F C02I 0.0 . . . . ?
C019 C02S C03F O024 -176.2(10) . . . . ?
C02S C03F C02I C015 0.0 . . . . ?
C02S C03F O024 C0BA -170.5(11) . . . . ?
C03F C02I C015 C011 0.0 . . . . ?
C02I C03F O024 C0BA 13.4(16) . . . . ?
C015 C011 C019 C02S 0.0 . . . . ?
C012 C014 C022 C02M 0.0 . . . . ?
C014 C012 C01O C02L 0.0 . . . . ?
C014 C022 C02M C02L 0.0 . . . . ?
C014 C022 C02M O01V 178.2(10) . . . . ?
C022 C02M C02L C01O 0.0 . . . . ?
C022 C02M O01V C4AA -16.1(14) . . . . ?
C02M C02L C01O C012 0.0 . . . . ?
C02L C02M O01V C4AA 162.2(10) . . . . ?
C01O C012 C014 C022 0.0 . . . . ?
C013 P4 C013 C01A -99.2(6) 3_565 . . . ?
C013 P4 C013 C01A 8.7(10) 2_665 . . . ?
C013 P4 C013 C01D 81.7(10) 3_565 . . . ?
C013 P4 C013 C01D -170.4(7) 2_665 . . . ?
C013 C01A C01M C01C 1.1(16) . . . . ?
C013 C01D C01L C01C -0.2(15) . . . . ?
C017 C02B C02T C034 0.0 . . . . ?
C02B C017 C027 C03I 0.0 . . . . ?
C02B C02T C034 C03I 0.0 . . . . ?
C02B C02T C034 O01N -177.0(11) . . . . ?
C02T C034 C03I C027 0.0 . . . . ?
C02T C034 O01N C6 3.1(17) . . . . ?
C034 C03I C027 C017 0.0 . . . . ?
C03I C034 O01N C6 -174.1(11) . . . . ?
C027 C017 C02B C02T 0.0 . . . . ?
C018 P3 C026 C02E 77.3(5) . . . . ?
C018 P3 C026 C037 -107.4(5) . . . . ?
C018 P3 C029 C4 9.6(7) . . . . ?
C018 P3 C029 C03B -167.3(5) . . . . ?
C018 C01Q C035 C02V 0.0 . . . . ?
C01Q C018 C02C C02Y 0.0 . . . . ?
C01Q C035 C02V C02Y 0.0 . . . . ?
C035 C02V C02Y C02C 0.0 . . . . ?
C02V C02Y C02C C018 0.0 . . . . ?
C02C C018 C01Q C035 0.0 . . . . ?
C01A C013 C01D C01L 0.4(14) . . . . ?
C01B C01E C01U O00Z 178.7(8) . . . . ?
C01B C01E C01U C01K 0.3(15) . . . . ?
C01B C01F C01G C01K 0.8(13) . . . . ?
C01D C013 C01A C01M -0.8(14) . . . . ?
C01E C01B C01F S14 -178.1(7) . . . . ?
C01E C01B C01F C01G 0.2(14) . . . . ?
C01F C01B C01E C01U -0.7(14) . . . . ?
C01F C01G C01K C01U -1.2(14) . . . . ?
C01G C01K C01U O00Z -177.6(9) . . . . ?
C01G C01K C01U C01E 0.7(15) . . . . ?
C01H C02F C17 C22 0.0 . . . . ?
C02F C01H C031 C03G 0.0 . . . . ?
C02F C17 C22 C03G 0.0 . . . . ?
C02F C17 C22 O1 -175.4(12) . . . . ?
C17 C22 C03G C031 0.0 . . . . ?
C22 C03G C031 C01H 0.0 . . . . ?
C031 C01H C02F C17 0.0 . . . . ?
C01I C021 C02U C039 0.0 . . . . ?
C021 C01I C02R C03P 0.0 . . . . ?
C021 C02U C039 C03P 0.0 . . . . ?
C021 C02U C039 O02H 179.0(10) . . . . ?
C02U C039 C03P C02R 0.0 . . . . ?
C02U C039 O02H C21 171.1(11) . . . . ?
C039 C03P C02R C01I 0.0 . . . . ?
C03P C039 O02H C21 -10.0(17) . . . . ?
C02R C01I C021 C02U 0.0 . . . . ?
C01L C01C C01M C01A -0.9(16) . . . . ?
C01M C01C C01L C01D 0.5(15) . . . . ?
O01N C034 C03I C027 177.3(10) . . . . ?
O01S C02W C01Z C01J -177.5(9) . . . . ?
O01V C02M C02L C01O -178.4(9) . . . . ?
C01W C8CA C7CA C02Q 0(3) . . . . ?
C01W C6CA C15 C02Q 5(3) . . . . ?
C01W C35 C51 C02Q 10.2(16) . . . . ?
O023 C02Q C7CA C8CA -176.7(16) . . . . ?
O023 C02Q C15 C6CA -179.7(15) . . . . ?
O023 C02Q C51 C35 172.0(11) . . . . ?
O024 C03F C02I C015 176.1(10) . . . . ?
C026 P3 C018 C01Q -0.7(5) . . . . ?
C026 P3 C018 C02C -178.3(4) . . . . ?
C026 P3 C029 C4 -101.1(6) . . . . ?
C026 P3 C029 C03B 81.9(6) . . . . ?
C026 C02E C03H C52 0.0 . . . . ?
C02E C026 C037 C36 0.0 . . . . ?
C02E C03H C52 C36 0.0 . . . . ?
C03H C52 C36 C037 0.0 . . . . ?
C52 C36 C037 C026 0.0 . . . . ?
C037 C026 C02E C03H 0.0 . . . . ?
C029 P3 C018 C01Q -109.9(5) . . . . ?
C029 P3 C018 C02C 72.5(5) . . . . ?
C029 P3 C026 C02E -174.0(5) . . . . ?
C029 P3 C026 C037 1.3(6) . . . . ?
C029 C4 C7AA C58 0.0 . . . . ?
C4 C029 C03B C03V 0.0 . . . . ?
C4 C7AA C58 C03V 0.0 . . . . ?
C7AA C58 C03V C03B 0.0 . . . . ?
C58 C03V C03B C029 0.0 . . . . ?
C03B C029 C4 C7AA 0.0 . . . . ?
C02A C02Q C15 C6CA 2(2) . . . . ?
C02D C02O C02W O01S 177.3(10) . . . . ?
C02D C02O C02W C01Z 0.0 . . . . ?
C02O C02D C01X S3 -179.9(6) . . . . ?
C02O C02D C01X C01J 0.0 . . . . ?
C02O C02W C01Z C01J 0.0 . . . . ?
C02W C01Z C01J C01X 0.0 . . . . ?
C01Z C01J C01X S3 179.9(6) . . . . ?
C01Z C01J C01X C02D 0.0 . . . . ?
C01X C02D C02O C02W 0.0 . . . . ?
C02G C01R C02Z C164 0.0 . . . . ?
C01R C02G C03J C100 0.0 . . . . ?
C01R C02Z C164 C100 0.0 . . . . ?
C01R C02Z C164 O03K -179.2(11) . . . . ?
C02Z C164 C100 C03J 0.0 . . . . ?
C02Z C164 O03K C8AA -168.1(12) . . . . ?
C164 C100 C03J C02G 0.0 . . . . ?
C100 C164 O03K C8AA 12.7(18) . . . . ?
C03J C02G C01R C02Z 0.0 . . . . ?
O02H C039 C03P C02R -178.8(11) . . . . ?
O02J C03A C032 C030 179.0(10) . . . . ?
C02K C03N C31 C39 0.0 . . . . ?
C03N C02K C02P C036 0.0 . . . . ?
C03N C31 C39 C036 0.0 . . . . ?
C03N C31 C39 O03C -165.4(11) . . . . ?
C31 C39 C036 C02P 0.0 . . . . ?
C31 C39 O03C C26 2.4(17) . . . . ?
C39 C036 C02P C02K 0.0 . . . . ?
C036 C39 O03C C26 -164.0(12) . . . . ?
C02P C02K C03N C31 0.0 . . . . ?
C02N O00Z C01U C01E -172.7(9) . . . . ?
C02N O00Z C01U C01K 5.7(15) . . . . ?
C02Q C02A C02X C01W -1.2(11) . . . . ?
C02X C01W C6CA C15 -10(2) . . . . ?
C02X C02A C02Q O023 178.0(11) . . . . ?
C02X C02A C02Q C15 -3.7(15) . . . . ?
C030 C01P C025 C033 0.0 . . . . ?
C01P C030 C032 C03A 0.0 . . . . ?
C01P C025 C033 C03A 0.0 . . . . ?
C025 C033 C03A O02J -179.0(9) . . . . ?
C025 C033 C03A C032 0.0 . . . . ?
C033 C03A C032 C030 0.0 . . . . ?
C032 C030 C01P S11 -179.6(7) . . . . ?
C032 C030 C01P C025 0.0 . . . . ?
O03C C39 C036 C02P 167.6(10) . . . . ?
O03K C164 C100 C03J 179.1(12) . . . . ?
C1 O023 C02Q C02A -22.5(18) . . . . ?
C1 O023 C02Q C7CA -149.7(16) . . . . ?
C1 O023 C02Q C15 159.2(16) . . . . ?
C1 O023 C02Q C51 15.9(19) . . . . ?
Ag1 S1 C7 C25 134.0(8) . . . . ?
Ag1 S1 C7 C28 -45.2(7) . . . . ?
Ag1 P2 C30 C44 -36(3) . . . . ?
Ag1 P2 C30 C37 146(2) . . . . ?
Ag2 S2 C64 C59 66.4(6) 6_556 . . . ?
Ag2 S2 C64 C59 -8.9(7) . . . . ?
Ag2 S2 C64 C61 172.4(7) . . . . ?
Ag2 S2 C64 C61 -112.3(7) 6_556 . . . ?
Cd1 S1 C7 C25 -26.2(8) . . . . ?
Cd1 S1 C7 C28 154.6(8) . . . . ?
Cd1 P1 C2 C3 126.1(14) . . . . ?
Cd1 P1 C2 C8 -49.8(17) . . . . ?
Cd1 P1 C14 C16 -7(2) . . . . ?
Cd1 P1 C14 C20 163.2(15) . . . . ?
S2 C64 C61 C57 178.8(6) . . . . ?
P2 C30 C44 C32 -178(2) . . . . ?
P2 C30 C37 C34 178(2) . . . . ?
P1 C45 C48 C47 180(2) . . . . ?
P1 C45 C40 C65 -179.7(18) . . . . ?
P1 C2 C3 C24 -176(2) . . . . ?
P1 C2 C8 C12 176(2) . . . . ?
P1 C14 C16 C18 171(2) . . . . ?
P1 C14 C20 C23 -170(3) . . . . ?
C45 P1 C2 C3 -106.0(18) . . . . ?
C45 P1 C2 C8 78.1(16) . . . . ?
C45 P1 C14 C16 -143.3(19) . . . . ?
C45 P1 C14 C20 27(3) . . . . ?
C45 C48 C47 C33 0.0 . . . . ?
C48 C45 C40 C65 0.0 . . . . ?
C48 C47 C33 C65 0.0 . . . . ?
C47 C33 C65 C40 0.0 . . . . ?
C33 C65 C40 C45 0.0 . . . . ?
C40 C45 C48 C47 0.0 . . . . ?
C10 O01S C02W C02O 1.4(17) . . . . ?
C10 O01S C02W C01Z 178.8(12) . . . . ?
C5AA C6AA C9 C4CA 0.0 . . . . ?
C6AA C5AA C0CA C5CA 0.0 . . . . ?
C6AA C9 C4CA C5CA 0.0 . . . . ?
C6AA C9 C4CA O2 179.1(16) . . . . ?
C9 C4CA C5CA C0CA 0.0 . . . . ?
C9 C4CA O2 C2AA 5(2) . . . . ?
C4CA C5CA C0CA C5AA 0.0 . . . . ?
C5CA C4CA O2 C2AA -175.4(16) . . . . ?
C0CA C5AA C6AA C9 0.0 . . . . ?
O3 C1CA C3CA C11 -174.6(13) . . . . ?
C11 C46 C13 C2CA 0.0 . . . . ?
C46 C11 C3CA C1CA 0.0 . . . . ?
C46 C13 C2CA C1CA 0.0 . . . . ?
C13 C2CA C1CA O3 174.9(13) . . . . ?
C13 C2CA C1CA C3CA 0.0 . . . . ?
C2CA C1CA C3CA C11 0.0 . . . . ?
C3CA C11 C46 S8 -179.0(6) . . . . ?
C3CA C11 C46 C13 0.0 . . . . ?
O2 C4CA C5CA C0CA -179.2(14) . . . . ?
C8CA C01W C35 C51 6.3(15) . . . . ?
C7CA C02Q C51 C35 -23(2) . . . . ?
C6CA C01W C02X C02A 7.8(15) . . . . ?
C35 C01W C8CA C7CA -11(2) . . . . ?
C51 C02Q C7CA C8CA 18(3) . . . . ?
C129 O3 C1CA C2CA 178.0(17) . . . . ?
C129 O3 C1CA C3CA -7(2) . . . . ?
C3AA O02J C03A C033 -179.4(13) . . . . ?
C3AA O02J C03A C032 1.6(18) . . . . ?
C2 P1 C14 C16 116.9(18) . . . . ?
C2 P1 C14 C20 -73(2) . . . . ?
C2 C3 C24 C5 0.0 . . . . ?
C3 C2 C8 C12 0.0 . . . . ?
C3 C24 C5 C12 0.0 . . . . ?
C24 C5 C12 C8 0.0 . . . . ?
C5 C12 C8 C2 0.0 . . . . ?
C8 C2 C3 C24 0.0 . . . . ?
O1 C22 C03G C031 175.4(12) . . . . ?
C14 P1 C2 C3 2(2) . . . . ?
C14 P1 C2 C8 -173.7(15) . . . . ?
C14 C16 C18 C19 0.0 . . . . ?
C16 C14 C20 C23 0.0 . . . . ?
C16 C18 C19 C23 0.0 . . . . ?
C18 C19 C23 C20 0.0 . . . . ?
C19 C23 C20 C14 0.0 . . . . ?
C20 C14 C16 C18 0.0 . . . . ?
C25 C29 C27 C66 0.0 . . . . ?
C25 C29 C27 O29 -171.4(18) . . . . ?
C29 C25 C7 S1 -179.2(5) . . . . ?
C29 C25 C7 C28 0.0 . . . . ?
C29 C27 C66 C28 0.0 . . . . ?
C27 C66 C28 C7 0.0 . . . . ?
C66 C28 C7 S1 179.2(4) . . . . ?
C66 C28 C7 C25 0.0 . . . . ?
C7 C25 C29 C27 0.0 . . . . ?
C30 P2 C30 C44 -165(3) 2 . . . ?
C30 P2 C30 C44 93(3) 3 . . . ?
C30 P2 C30 C37 17(3) 2 . . . ?
C30 P2 C30 C37 -86(2) 3 . . . ?
C30 C44 C32 C70 0.0 . . . . ?
C44 C30 C37 C34 0.0 . . . . ?
C44 C32 C70 C34 0.0 . . . . ?
C32 C70 C34 C37 0.0 . . . . ?
C70 C34 C37 C30 0.0 . . . . ?
C37 C30 C44 C32 0.0 . . . . ?
C56 C42 C67 C141 0.0 . . . . ?
C42 C56 C38 C41 0.0 . . . . ?
C42 C67 C141 C41 0.0 . . . . ?
C67 C141 C41 C38 0.0 . . . . ?
C141 C41 C38 C56 0.0 . . . . ?
C38 C56 C42 C67 0.0 . . . . ?
C63 C59 C64 S2 -178.7(6) . . . . ?
C63 C59 C64 C61 0.0 . . . . ?
C59 C63 C62 C57 0.0 . . . . ?
C59 C63 C62 O4 -158(2) . . . 5_556 ?
C59 C64 C61 C57 0.0 . . . . ?
C64 C61 C57 C62 0.0 . . . . ?
C61 C57 C62 C63 0.0 . . . . ?
C61 C57 C62 O4 158.5(19) . . . 5_556 ?
C62 C63 C59 C64 0.0 . . . . ?
O29 C27 C66 C28 171.4(18) . . . . ?

_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 0.000 0.000 7157.9 1546.0 ?

_olex2_submission_special_instructions 'No special instructions were received'
