# Electronic Supplementary Material (ESI) for Nanoscale Advances.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# 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_ixing_Alloy28
_database_code_depnum_ccdc_archive 'CCDC 1967149'
loop_
_audit_author_name
_audit_author_address
'shuxin wang'
;Anhui University
China
;
_audit_update_record             
;
2019-11-21 deposited with the CCDC.	2020-01-14 downloaded from the CCDC.
;
_audit_creation_date             2018-03-26
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_shelx_SHELXL_version_number     2016/4
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C200 H259 Ag0.95 Au27.05 S20'
_chemical_formula_sum            'C200 H260 Ag0.95 Au27.05 S20'
_chemical_formula_weight         8735.68
_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 0.0033 0.0016 '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 -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   40.4373(18)
_cell_length_b                   24.4078(11)
_cell_length_c                   32.506(3)
_cell_angle_alpha                90
_cell_angle_beta                 119.448(2)
_cell_angle_gamma                90
_cell_volume                     27938(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9022
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.52
_cell_measurement_theta_min      2.20
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    14.388
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.2890
_exptl_absorpt_correction_type   Multi-Scan
_exptl_absorpt_process_details   
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.1322 before and 0.0689 after correction.
The Ratio of minimum to maximum transmission is 0.3876.
The λ/2 correction factor is 0.0015.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    2.077
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             15846
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0799
_diffrn_reflns_av_unetI/netI     0.0695
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.974
_diffrn_reflns_limit_h_max       52
_diffrn_reflns_limit_h_min       -51
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -42
_diffrn_reflns_number            204214
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.974
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.633
_diffrn_reflns_theta_min         1.399
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.974
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                20120
_reflns_number_total             31707
_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       'SAINT v7.68A (Bruker, 2009)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v7.68A (Bruker, 2009)'
_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    ?
_refine_diff_density_max         4.749
_refine_diff_density_min         -2.820
_refine_diff_density_rms         0.402
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.074
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1216
_refine_ls_number_reflns         31707
_refine_ls_number_restraints     2139
_refine_ls_R_factor_all          0.1241
_refine_ls_R_factor_gt           0.0635
_refine_ls_restrained_S_all      1.047
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0705P)²+2654.8320P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1541
_refine_ls_wR_factor_ref         0.1979
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Shared sites
{Au5, Ag5}
{Au8, Ag8}
{Au12, Ag12}
{Au16, Ag16}
3. Restrained distances
 C87-C3AA = C87-C2AA = C88-C87
 1.5 with sigma of 0.01
 C88-C2AA
 2.5 with sigma of 0.02
 C88-C3AA
 2.5 with sigma of 0.02
 C2AA-C3AA
 2.5 with sigma of 0.02
 C103-C107
 2.4 with sigma of 0.01
 C7AA-C107 = C6AA-C107 = C108-C107
 1.5 with sigma of 0.01
 C97-C94
 1.5 with sigma of 0.01
 C97-C4AA = C97-C109 = C97-C5AA
 1.5 with sigma of 0.01
 C4AA-C109 = C5AA-C109
 2.5 with sigma of 0.01
 C4AA-C5AA
 2.5 with sigma of 0.02
 C27-C0AA = C27-C1AA = C28-C27
 1.5 with sigma of 0.01
 C0AA-C28
 2.5 with sigma of 0.02
 C0AA-C1AA
 2.5 with sigma of 0.02
 C28-C1AA
 2.5 with sigma of 0.02
4. Restrained planarity
 C91, C92, C93, C94, C95, C96, C97
 with sigma of 0.01
5. Uiso/Uaniso restraints and constraints
S3: within 2A with sigma of 0.04 and sigma for terminal atoms of 0.08
C11 \\sim C51 \\sim C6 \\sim C4 \\sim C1 \\sim C5 \\sim C12 \\sim C41 \\sim C71
\\sim C76 \\sim C75 \\sim C74 \\sim C73 \\sim C72 \\sim C2 \\sim C43 \\sim C56
\\sim C46 \\sim C62 \\sim C31 \\sim C42 \\sim C44 \\sim C21 \\sim C13 \\sim C61
\\sim C16 \\sim C22 \\sim C55 \\sim C26 \\sim C3 \\sim C52 \\sim C45 \\sim C32
\\sim C54 \\sim C64 \\sim C53 \\sim C14 \\sim C15 \\sim C63 \\sim C23 \\sim C24
\\sim C81 \\sim C33 \\sim C34 \\sim C86 \\sim C82 \\sim C25 \\sim C35 \\sim C36
\\sim C66 \\sim C65 \\sim C91 \\sim C96 \\sim C95 \\sim C94 \\sim C93 \\sim C92
\\sim C83 \\sim C10 \\sim C7 \\sim C9 \\sim C47 \\sim C8 \\sim C17 \\sim C85
\\sim C48 \\sim C57 \\sim C84 \\sim C77 \\sim C19 \\sim C27 \\sim C50 \\sim C67
\\sim C20 \\sim C78 \\sim C68 \\sim C60 \\sim C37 \\sim C49 \\sim C18 \\sim C80
\\sim C79 \\sim C69 \\sim C59 \\sim C87 \\sim C70 \\sim C58 \\sim C88 \\sim C38
\\sim C101 \\sim C106 \\sim C105 \\sim C104 \\sim C103 \\sim C102 \\sim C40
\\sim C39 \\sim C97 \\sim C108 \\sim C107 \\sim C28 \\sim C2AA \\sim C0AA \\sim
C1AA \\sim C3AA \\sim C5AA \\sim C4AA \\sim C109 \\sim C7AA \\sim C6AA: within
2A with sigma of 0.01 and sigma for terminal atoms of 0.02
C71 \\sim C72 \\sim C73 \\sim C74 \\sim C75 \\sim C76: within 2A with sigma of
0.01 and sigma for terminal atoms of 0.005
Uanis(C11) \\sim Ueq, Uanis(C51) \\sim Ueq, Uanis(C6) \\sim Ueq, Uanis(C4)
\\sim Ueq, Uanis(C1) \\sim Ueq, Uanis(C5) \\sim Ueq, Uanis(C12) \\sim Ueq,
Uanis(C41) \\sim Ueq, Uanis(C71) \\sim Ueq, Uanis(C76) \\sim Ueq, Uanis(C75)
\\sim Ueq, Uanis(C74) \\sim Ueq, Uanis(C73) \\sim Ueq, Uanis(C72) \\sim Ueq,
Uanis(C2) \\sim Ueq, Uanis(C43) \\sim Ueq, Uanis(C56) \\sim Ueq, Uanis(C46)
\\sim Ueq, Uanis(C62) \\sim Ueq, Uanis(C31) \\sim Ueq, Uanis(C42) \\sim Ueq,
Uanis(C44) \\sim Ueq, Uanis(C21) \\sim Ueq, Uanis(C13) \\sim Ueq, Uanis(C61)
\\sim Ueq, Uanis(C16) \\sim Ueq, Uanis(C22) \\sim Ueq, Uanis(C55) \\sim Ueq,
Uanis(C26) \\sim Ueq, Uanis(C3) \\sim Ueq, Uanis(C52) \\sim Ueq, Uanis(C45)
\\sim Ueq, Uanis(C32) \\sim Ueq, Uanis(C54) \\sim Ueq, Uanis(C64) \\sim Ueq,
Uanis(C53) \\sim Ueq, Uanis(C14) \\sim Ueq, Uanis(C15) \\sim Ueq, Uanis(C63)
\\sim Ueq, Uanis(C23) \\sim Ueq, Uanis(C24) \\sim Ueq, Uanis(C81) \\sim Ueq,
Uanis(C33) \\sim Ueq, Uanis(C34) \\sim Ueq, Uanis(C86) \\sim Ueq, Uanis(C82)
\\sim Ueq, Uanis(C25) \\sim Ueq, Uanis(C35) \\sim Ueq, Uanis(C36) \\sim Ueq,
Uanis(C66) \\sim Ueq, Uanis(C65) \\sim Ueq, Uanis(C91) \\sim Ueq, Uanis(C96)
\\sim Ueq, Uanis(C95) \\sim Ueq, Uanis(C94) \\sim Ueq, Uanis(C93) \\sim Ueq,
Uanis(C92) \\sim Ueq, Uanis(C83) \\sim Ueq, Uanis(C10) \\sim Ueq, Uanis(C7)
\\sim Ueq, Uanis(C9) \\sim Ueq, Uanis(C47) \\sim Ueq, Uanis(C8) \\sim Ueq,
Uanis(C17) \\sim Ueq, Uanis(C85) \\sim Ueq, Uanis(C48) \\sim Ueq, Uanis(C57)
\\sim Ueq, Uanis(C84) \\sim Ueq, Uanis(C77) \\sim Ueq, Uanis(C19) \\sim Ueq,
Uanis(C27) \\sim Ueq, Uanis(C50) \\sim Ueq, Uanis(C67) \\sim Ueq, Uanis(C20)
\\sim Ueq, Uanis(C78) \\sim Ueq, Uanis(C68) \\sim Ueq, Uanis(C60) \\sim Ueq,
Uanis(C37) \\sim Ueq, Uanis(C49) \\sim Ueq, Uanis(C18) \\sim Ueq, Uanis(C80)
\\sim Ueq, Uanis(C79) \\sim Ueq, Uanis(C69) \\sim Ueq, Uanis(C59) \\sim Ueq,
Uanis(C87) \\sim Ueq, Uanis(C70) \\sim Ueq, Uanis(C58) \\sim Ueq, Uanis(C88)
\\sim Ueq, Uanis(C38) \\sim Ueq, Uanis(C101) \\sim Ueq, Uanis(C106) \\sim Ueq,
Uanis(C105) \\sim Ueq, Uanis(C104) \\sim Ueq, Uanis(C103) \\sim Ueq,
Uanis(C102) \\sim Ueq, Uanis(C40) \\sim Ueq, Uanis(C39) \\sim Ueq, Uanis(C97)
\\sim Ueq, Uanis(C108) \\sim Ueq, Uanis(C107) \\sim Ueq, Uanis(C28) \\sim Ueq,
Uanis(C2AA) \\sim Ueq, Uanis(C0AA) \\sim Ueq, Uanis(C1AA) \\sim Ueq,
Uanis(C3AA) \\sim Ueq, Uanis(C5AA) \\sim Ueq, Uanis(C4AA) \\sim Ueq,
Uanis(C109) \\sim Ueq, Uanis(C7AA) \\sim Ueq, Uanis(C6AA) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
Uanis(Au5) = Uanis(Ag5)
Uanis(Au8) = Uanis(Ag8)
Uanis(Au12) = Uanis(Ag12)
Uanis(Au16) = Uanis(Ag16)
6. Rigid body (RIGU) restrains
 C11, C51, C6, C4, C1, C5, C12, C41, C71, C76, C75, C74, C73, C72, C2, C43,
 C56, C46, C62, C31, C42, C44, C21, C13, C61, C16, C22, C55, C26, C3, C52, C45,
 C32, C54, C64, C53, C14, C15, C63, C23, C24, C81, C33, C34, C86, C82, C25, C35,
  C36, C66, C65, C91, C96, C95, C94, C93, C92, C83, C10, C7, C9, C47, C8, C17,
 C85, C48, C57, C84, C77, C19, C27, C50, C67, C20, C78, C68, C60, C37, C49, C18,
  C80, C79, C69, C59, C87, C70, C58, C88, C38, C101, C106, C105, C104, C103,
 C102, C40, C39, C97, C108, C107, C28, C2AA, C0AA, C1AA, C3AA, C5AA, C4AA, C109,
  C7AA, C6AA
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
7. Others
 Sof(Ag5)=1-FVAR(1)
 Sof(Au5)=FVAR(1)
 Sof(Ag8)=1-FVAR(2)
 Sof(Au8)=FVAR(2)
 Sof(Ag12)=1-FVAR(3)
 Sof(Au12)=FVAR(3)
 Sof(Ag16)=1-FVAR(4)
 Sof(Au16)=FVAR(4)
 Fixed Sof: S5(0.5) C91(0.5) C96(0.5) H96(0.5) C95(0.5) H95(0.5) C94(0.5)
 C93(0.5) H93(0.5) C92(0.5) C101(0.5) C106(0.5) H106(0.5) C105(0.5) H105(0.5)
 C104(0.5) C103(0.5) H103(0.5) C102(0.5) H102(0.5) C97(0.5) C108(0.5) H10D(0.5)
 H10E(0.5) H10F(0.5) C107(0.5) C5AA(0.5) H5AA(0.5) H5AB(0.5) H5AC(0.5)
 C4AA(0.5) H4AA(0.5) H4AB(0.5) H4AC(0.5) C109(0.5) H10G(0.5) H10H(0.5)
 H10I(0.5) C7AA(0.5) H7AA(0.5) H7AB(0.5) H7AC(0.5) C6AA(0.5) H6AA(0.5)
 H6AB(0.5) H6AC(0.5) S5A(0.5)
8.a Riding coordinates:
 C38(H38A,H38B,H38C), C40(H40A,H40B,H40C), C39(H39A,H39B,H39C)
8.b Aromatic/amide H refined with riding coordinates:
 C6(H6), C5(H5), C12(H12), C76(H76), C75(H75), C73(H73), C72(H72), C2(H2),
 C43(H43), C56(H56), C46(H46), C62(H62), C42(H42), C13(H13), C16(H16), C22(H22),
  C55(H55), C26(H26), C3(H3), C52(H52), C45(H45), C32(H32), C53(H53), C15(H15),
 C63(H63), C23(H23), C33(H33), C86(H86), C82(H82), C25(H25), C35(H35), C36(H36),
  C66(H66), C65(H65), C96(H96), C95(H95), C93(H93), C83(H83), C85(H85),
 C106(H106), C105(H105), C103(H103), C102(H102)
8.c Fitted hexagon refined as free rotating group:
 C71(C76,C75,C74,C73,C72), C91(C96,C95,C94,C93,C92), C101(C106,C105,C104,C103,
 C102)
8.d Idealised Me refined as rotating group:
 C10(H10A,H10B,H10C), C9(H9A,H9B,H9C), C8(H8A,H8B,H8C), C48(H48A,H48B,H48C),
 C19(H19A,H19B,H19C), C50(H50A,H50B,H50C), C20(H20A,H20B,H20C), C78(H78A,H78B,
 H78C), C68(H68A,H68B,H68C), C60(H60A,H60B,H60C), C49(H49A,H49B,H49C), C18(H18A,
 H18B,H18C), C80(H80A,H80B,H80C), C79(H79A,H79B,H79C), C69(H69A,H69B,H69C),
 C59(H59A,H59B,H59C), C70(H70A,H70B,H70C), C58(H58A,H58B,H58C), C88(H88A,H88B,
 H88C), C108(H10D,H10E,H10F), C28(H28A,H28B,H28C), C2AA(H2AA,H2AB,H2AC),
 C0AA(H0AA,H0AB,H0AC), C1AA(H1AA,H1AB,H1AC), C3AA(H3AA,H3AB,H3AC), C5AA(H5AA,
 H5AB,H5AC), C4AA(H4AA,H4AB,H4AC), C109(H10G,H10H,H10I), C7AA(H7AA,H7AB,H7AC),
 C6AA(H6AA,H6AB,H6AC)
;
_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
Au1 Au 1.000000 0.24331(4) 0.750000 0.02357(19) Uani 1 2 d S T P A .
Au3 Au 1.000000 0.12383(4) 0.750000 0.02340(19) Uani 1 2 d S T P A .
Au10 Au 1.000000 -0.00982(4) 0.750000 0.0289(2) Uani 1 2 d S T P . .
Au7 Au 0.94986(2) 0.11790(3) 0.65524(2) 0.02717(15) Uani 1 1 d . . . . .
Au14 Au 1.000000 0.38211(4) 0.750000 0.0294(2) Uani 1 2 d S T P A .
Au8 Au 1.06312(2) 0.06331(3) 0.77903(3) 0.0279(3) Uani 0.857(7) 1 d . . . A .
Au13 Au 0.91982(2) 0.30908(3) 0.70477(2) 0.03022(16) Uani 1 1 d . . . . .
Au4 Au 1.04851(2) 0.24486(3) 0.84466(2) 0.02695(15) Uani 1 1 d . . . . .
Au11 Au 1.02492(2) 0.06438(3) 0.67364(2) 0.02935(16) Uani 1 1 d . . . . .
Au5 Au 0.98099(2) 0.30520(3) 0.80378(3) 0.0277(3) Uani 0.844(7) 1 d . . . A 1
Au9 Au 1.14275(2) 0.05573(3) 0.85095(3) 0.03736(18) Uani 1 1 d . . . . .
Au16 Au 0.96153(2) 0.17723(3) 0.56338(3) 0.0354(3) Uani 0.894(8) 1 d . . . B 2
Au15 Au 0.98231(2) 0.30405(3) 0.89397(3) 0.03937(19) Uani 1 1 d . . . . .
Au12 Au 0.86371(2) 0.17293(3) 0.58506(3) 0.0366(3) Uani 0.932(8) 1 d . . . A 1
S1 S 0.89267(12) 0.23952(18) 0.72608(15) 0.0283(9) Uani 1 1 d . . . . .
S2 S 0.99392(13) -0.01424(18) 0.67626(16) 0.0326(10) Uani 1 1 d . . . . .
S3 S 0.92778(13) 0.10789(18) 0.57370(15) 0.0302(9) Uani 1 1 d . U . . .
S4 S 1.04641(12) 0.13961(19) 0.65106(16) 0.0311(10) Uani 1 1 d . . . . .
S5 S 0.9507(5) 0.3657(8) 0.8305(7) 0.041(4) Uani 0.5 1 d . . . A 2
S11 S 0.89833(12) 0.24468(19) 0.57947(16) 0.0320(10) Uani 1 1 d . . . . .
S12 S 0.82377(14) 0.1020(2) 0.57895(17) 0.0373(11) Uani 1 1 d . . . . .
S16 S 1.11100(14) 0.0004(2) 0.78524(18) 0.0393(11) Uani 1 1 d . . . . .
S17 S 0.99350(14) 0.24210(19) 0.54491(17) 0.0368(11) Uani 1 1 d . . . . .
S18 S 0.94121(13) 0.38523(19) 0.68231(17) 0.0339(10) Uani 1 1 d . . . . .
Au2 Au 0.92795(2) 0.17437(3) 0.71013(2) 0.02838(15) Uani 1 1 d . . . . .
Au6 Au 1.01950(2) 0.19320(3) 0.68808(2) 0.02948(16) Uani 1 1 d . . . . .
C11 C 1.0204(5) -0.0724(7) 0.6805(7) 0.037(3) Uani 1 1 d . U . . .
C51 C 0.8732(5) 0.3080(8) 0.5709(7) 0.036(3) Uani 1 1 d . U . . .
C6 C 0.9765(5) 0.0388(7) 0.5598(6) 0.034(3) Uani 1 1 d . U . . .
H6 H 0.992993 0.068413 0.567771 0.041 Uiso 1 1 calc R . . . .
C4 C 0.9635(5) -0.0564(7) 0.5369(6) 0.031(3) Uani 1 1 d . U . . .
C1 C 0.9431(5) 0.0444(7) 0.5607(6) 0.033(3) Uani 1 1 d . U . . .
C5 C 0.9859(5) -0.0110(7) 0.5471(6) 0.030(3) Uani 1 1 d . U . . .
H5 H 1.008181 -0.013373 0.545563 0.036 Uiso 1 1 calc R . . . .
C12 C 1.0519(5) -0.0687(8) 0.6690(7) 0.036(3) Uani 1 1 d . U . . .
H12 H 1.059181 -0.034664 0.663155 0.043 Uiso 1 1 calc R . . . .
C41 C 0.8430(5) 0.2405(7) 0.6806(7) 0.035(3) Uani 1 1 d . U . . .
C71 C 0.9175(4) 0.4423(5) 0.6902(6) 0.057(4) Uani 1 1 d . U . . .
C76 C 0.9277(4) 0.4938(7) 0.6819(7) 0.078(5) Uani 1 1 d G U . . .
H76 H 0.947090 0.497319 0.674540 0.093 Uiso 1 1 calc R . . . .
C75 C 0.9089(5) 0.5401(5) 0.6846(7) 0.079(5) Uani 1 1 d G U . . .
H75 H 0.915660 0.574623 0.679097 0.094 Uiso 1 1 calc R . . . .
C74 C 0.8799(5) 0.5349(5) 0.6957(7) 0.069(4) Uani 1 1 d G U . . .
C73 C 0.8697(4) 0.4834(7) 0.7040(6) 0.065(4) Uani 1 1 d G U . . .
H73 H 0.850306 0.479925 0.711330 0.078 Uiso 1 1 calc R . . . .
C72 C 0.8885(5) 0.4371(5) 0.7012(6) 0.062(4) Uani 1 1 d G U . . .
H72 H 0.881735 0.402621 0.706773 0.075 Uiso 1 1 calc R . . . .
C2 C 0.9200(5) -0.0002(8) 0.5509(7) 0.035(3) Uani 1 1 d . U . . .
H2 H 0.897797 0.002840 0.552683 0.042 Uiso 1 1 calc R . . . .
C43 C 0.7858(6) 0.1969(8) 0.6245(7) 0.040(3) Uani 1 1 d . U . . .
H43 H 0.773585 0.164708 0.609440 0.048 Uiso 1 1 calc R . . . .
C56 C 0.8422(5) 0.3120(8) 0.5769(7) 0.041(3) Uani 1 1 d . U . . .
H56 H 0.834559 0.282038 0.587885 0.049 Uiso 1 1 calc R . . . .
C46 C 0.8233(5) 0.2903(8) 0.6689(7) 0.040(3) Uani 1 1 d . U . . .
H46 H 0.836051 0.322347 0.683699 0.047 Uiso 1 1 calc R . . . .
C62 C 0.9208(6) 0.2808(9) 0.4813(8) 0.048(4) Uani 1 1 d . U . . .
H62 H 0.911329 0.253643 0.492723 0.057 Uiso 1 1 calc R . . . .
C31 C 1.1072(6) -0.0614(9) 0.8123(8) 0.048(4) Uani 1 1 d . U . . .
C42 C 0.8246(5) 0.1950(8) 0.6589(7) 0.038(3) Uani 1 1 d . U . . .
H42 H 0.837370 0.161686 0.666404 0.046 Uiso 1 1 calc R . . . .
C44 C 0.7662(6) 0.2436(8) 0.6130(8) 0.043(3) Uani 1 1 d . U . . .
C21 C 0.8225(6) 0.0539(9) 0.5373(8) 0.045(4) Uani 1 1 d . U . . .
C13 C 1.0702(6) -0.1156(8) 0.6669(7) 0.044(3) Uani 1 1 d . U . . .
H13 H 1.089445 -0.112863 0.659167 0.053 Uiso 1 1 calc R . . . .
C61 C 0.9595(6) 0.2848(9) 0.4984(8) 0.049(4) Uani 1 1 d . U . . .
C16 C 1.0121(6) -0.1222(8) 0.6884(7) 0.044(4) Uani 1 1 d . U . . .
H16 H 0.992167 -0.126664 0.694713 0.053 Uiso 1 1 calc R . . . .
C22 C 0.8225(6) 0.0711(10) 0.4963(8) 0.049(4) Uani 1 1 d . U . . .
H22 H 0.826263 0.107927 0.492337 0.058 Uiso 1 1 calc R . . . .
C55 C 0.8219(6) 0.3613(9) 0.5665(8) 0.047(4) Uani 1 1 d . U . . .
H55 H 0.800399 0.363121 0.569892 0.057 Uiso 1 1 calc R . . . .
C26 C 0.8196(6) -0.0015(9) 0.5422(8) 0.049(4) Uani 1 1 d . U . . .
H26 H 0.821386 -0.014197 0.570158 0.058 Uiso 1 1 calc R . . . .
C3 C 0.9293(5) -0.0508(8) 0.5380(7) 0.036(3) Uani 1 1 d . U . . .
H3 H 0.912783 -0.080431 0.530256 0.044 Uiso 1 1 calc R . . . .
C52 C 0.8850(6) 0.3521(8) 0.5564(8) 0.044(4) Uani 1 1 d . U . . .
H52 H 0.906707 0.349481 0.553570 0.053 Uiso 1 1 calc R . . . .
C45 C 0.7861(6) 0.2923(9) 0.6364(8) 0.046(4) Uani 1 1 d . U . . .
H45 H 0.773372 0.325633 0.629112 0.055 Uiso 1 1 calc R . . . .
C32 C 1.0974(6) -0.0621(9) 0.8478(8) 0.051(4) Uani 1 1 d . U . . .
H32 H 1.091016 -0.029745 0.857337 0.062 Uiso 1 1 calc R . . . .
C54 C 0.8325(6) 0.4062(9) 0.5517(8) 0.051(3) Uani 1 1 d . U . . .
C64 C 0.9083(7) 0.3581(11) 0.4292(9) 0.063(4) Uani 1 1 d . U . . .
C53 C 0.8655(6) 0.4006(9) 0.5460(8) 0.048(4) Uani 1 1 d . U . . .
H53 H 0.873576 0.430120 0.535090 0.058 Uiso 1 1 calc R . . . .
C14 C 1.0605(7) -0.1657(9) 0.6760(8) 0.048(3) Uani 1 1 d . U . . .
C15 C 1.0326(7) -0.1692(9) 0.6876(8) 0.051(4) Uani 1 1 d . U . . .
H15 H 1.026726 -0.203193 0.695207 0.061 Uiso 1 1 calc R . . . .
C63 C 0.8959(7) 0.3172(10) 0.4470(9) 0.056(4) Uani 1 1 d . U . . .
H63 H 0.869937 0.313507 0.435829 0.067 Uiso 1 1 calc R . . . .
C23 C 0.8169(6) 0.0328(10) 0.4610(8) 0.052(4) Uani 1 1 d . U . . .
H23 H 0.816342 0.044939 0.433605 0.063 Uiso 1 1 calc R . . . .
C24 C 0.8121(7) -0.0224(11) 0.4662(9) 0.061(4) Uani 1 1 d . U . . .
C81 C 1.0974(6) 0.1461(9) 0.6831(8) 0.043(3) Uani 1 1 d . U . . .
C33 C 1.0970(7) -0.1115(10) 0.8686(9) 0.056(4) Uani 1 1 d . U . . .
H33 H 1.090472 -0.112073 0.892325 0.068 Uiso 1 1 calc R . . . .
C34 C 1.1063(8) -0.1597(11) 0.8548(10) 0.065(4) Uani 1 1 d . U . . .
C86 C 1.1204(6) 0.1128(10) 0.7186(9) 0.054(4) Uani 1 1 d . U . . .
H86 H 1.109775 0.086290 0.729075 0.065 Uiso 1 1 calc R . . . .
C82 C 1.1132(7) 0.1854(10) 0.6661(9) 0.061(4) Uani 1 1 d . U . . .
H82 H 1.098265 0.209030 0.641416 0.073 Uiso 1 1 calc R . . . .
C25 C 0.8142(6) -0.0396(11) 0.5076(9) 0.057(4) Uani 1 1 d . U . . .
H25 H 0.811911 -0.076594 0.512489 0.068 Uiso 1 1 calc R . . . .
C35 C 1.1159(8) -0.1589(11) 0.8198(9) 0.066(4) Uani 1 1 d . U . . .
H35 H 1.122549 -0.191309 0.810751 0.079 Uiso 1 1 calc R . . . .
C36 C 1.1158(7) -0.1084(10) 0.7970(9) 0.062(4) Uani 1 1 d . U . . .
H36 H 1.121468 -0.107910 0.772537 0.074 Uiso 1 1 calc R . . . .
C66 C 0.9734(7) 0.3243(10) 0.4805(9) 0.060(4) Uani 1 1 d . U . . .
H66 H 0.999225 0.326782 0.490442 0.072 Uiso 1 1 calc R . . . .
C65 C 0.9470(7) 0.3607(11) 0.4463(9) 0.065(4) Uani 1 1 d . U . . .
H65 H 0.956244 0.388007 0.434701 0.077 Uiso 1 1 calc R . . . .
C91 C 0.9138(5) 0.3815(10) 0.8210(8) 0.038(5) Uani 0.5 1 d . U . A 1
C96 C 0.8978(7) 0.4332(8) 0.8160(10) 0.048(6) Uani 0.5 1 d G U . A 1
H96 H 0.913202 0.464165 0.825163 0.057 Uiso 0.5 1 calc R . . A 1
C95 C 0.8588(7) 0.4387(8) 0.7972(9) 0.053(6) Uani 0.5 1 d G U . A 1
H95 H 0.848092 0.473244 0.793867 0.063 Uiso 0.5 1 calc R . . A 1
C94 C 0.8358(5) 0.3924(11) 0.7835(6) 0.055(5) Uani 0.5 1 d DG U . A 1
C93 C 0.8517(6) 0.3407(9) 0.7885(9) 0.047(5) Uani 0.5 1 d G U . A 1
H93 H 0.836319 0.309782 0.779308 0.057 Uiso 0.5 1 calc R . . A 1
C92 C 0.8907(6) 0.3353(8) 0.8072(10) 0.040(5) Uani 0.5 1 d G U . A 1
C83 C 1.1517(8) 0.1863(12) 0.6884(10) 0.073(5) Uani 1 1 d . U . . .
H83 H 1.162537 0.212195 0.677669 0.088 Uiso 1 1 calc R . . . .
C10 C 1.0139(5) -0.1142(8) 0.5331(7) 0.036(4) Uani 1 1 d . U . . .
H10A H 1.019290 -0.086469 0.516308 0.054 Uiso 1 1 calc GR . . . .
H10B H 1.018598 -0.149708 0.524281 0.054 Uiso 1 1 calc GR . . . .
H10C H 1.029946 -0.109049 0.566473 0.054 Uiso 1 1 calc GR . . . .
C7 C 0.9720(6) -0.1102(8) 0.5207(7) 0.039(3) Uani 1 1 d . U . . .
C9 C 0.9644(7) -0.1594(8) 0.5451(8) 0.050(5) Uani 1 1 d . U . . .
H9A H 0.977684 -0.153857 0.578664 0.076 Uiso 1 1 calc GR . . . .
H9B H 0.973230 -0.192479 0.537710 0.076 Uiso 1 1 calc GR . . . .
H9C H 0.937672 -0.162194 0.533994 0.076 Uiso 1 1 calc GR . . . .
C47 C 0.7237(7) 0.2475(10) 0.5753(9) 0.055(4) Uani 1 1 d . U . . .
C8 C 0.9467(6) -0.1147(9) 0.4666(7) 0.046(5) Uani 1 1 d . U . . .
H8A H 0.920518 -0.116368 0.458795 0.069 Uiso 1 1 calc GR . . . .
H8B H 0.953191 -0.147253 0.455640 0.069 Uiso 1 1 calc GR . . . .
H8C H 0.950607 -0.083201 0.451834 0.069 Uiso 1 1 calc GR . . . .
C17 C 1.0807(7) -0.2167(10) 0.6722(9) 0.059(4) Uani 1 1 d . U . . .
C85 C 1.1593(7) 0.1168(11) 0.7400(10) 0.065(4) Uani 1 1 d . U . . .
H85 H 1.174675 0.094211 0.765302 0.078 Uiso 1 1 calc R . . . .
C48 C 0.7061(7) 0.1909(10) 0.5594(9) 0.068(6) Uani 1 1 d . U . . .
H48A H 0.713193 0.176114 0.537432 0.102 Uiso 1 1 calc GR . . . .
H48B H 0.678962 0.193752 0.544345 0.102 Uiso 1 1 calc GR . . . .
H48C H 0.715107 0.167179 0.586316 0.102 Uiso 1 1 calc GR . . . .
C57 C 0.8098(8) 0.4602(11) 0.5382(10) 0.067(4) Uani 1 1 d . U . . .
C84 C 1.1753(8) 0.1552(12) 0.7231(11) 0.074(4) Uani 1 1 d . U . . .
C77 C 0.8577(8) 0.5870(12) 0.6979(11) 0.075(5) Uani 1 1 d . U . . .
C19 C 1.0779(8) -0.2181(11) 0.6234(9) 0.071(6) Uani 1 1 d . U . . .
H19A H 1.058159 -0.193768 0.602406 0.107 Uiso 1 1 calc GR . . . .
H19B H 1.072184 -0.254726 0.611043 0.107 Uiso 1 1 calc GR . . . .
H19C H 1.101683 -0.206767 0.626259 0.107 Uiso 1 1 calc GR . . . .
C27 C 0.8026(6) -0.0612(9) 0.4242(8) 0.078(5) Uani 1 1 d D U . . .
C50 C 0.7013(6) 0.2754(11) 0.5961(10) 0.067(6) Uani 1 1 d . U . . .
H50A H 0.705781 0.256492 0.624336 0.101 Uiso 1 1 calc GR . . . .
H50B H 0.674652 0.274299 0.573518 0.101 Uiso 1 1 calc GR . . . .
H50C H 0.709334 0.312791 0.603618 0.101 Uiso 1 1 calc GR . . . .
C67 C 0.8798(8) 0.3975(12) 0.3920(11) 0.076(5) Uani 1 1 d . U . . .
C20 C 1.1213(8) -0.2165(11) 0.7095(10) 0.077(7) Uani 1 1 d . U . . .
H20A H 1.135024 -0.190921 0.701171 0.116 Uiso 1 1 calc GR . . . .
H20B H 1.131724 -0.252503 0.712380 0.116 Uiso 1 1 calc GR . . . .
H20C H 1.123226 -0.205911 0.739075 0.116 Uiso 1 1 calc GR . . . .
C78 C 0.8375(8) 0.6124(12) 0.6504(10) 0.078(7) Uani 1 1 d . U . . .
H78A H 0.855528 0.622088 0.640470 0.117 Uiso 1 1 calc GR . . . .
H78B H 0.824574 0.644802 0.651715 0.117 Uiso 1 1 calc GR . . . .
H78C H 0.819425 0.586944 0.628383 0.117 Uiso 1 1 calc GR . . . .
C68 C 0.8514(8) 0.3631(12) 0.3499(11) 0.086(7) Uani 1 1 d . U . . .
H68A H 0.864113 0.331726 0.346330 0.129 Uiso 1 1 calc GR . . . .
H68B H 0.841013 0.384801 0.321643 0.129 Uiso 1 1 calc GR . . . .
H68C H 0.831254 0.351096 0.355343 0.129 Uiso 1 1 calc GR . . . .
C60 C 0.7867(8) 0.4654(12) 0.5636(11) 0.082(7) Uani 1 1 d . U . . .
H60A H 0.771621 0.432946 0.558077 0.123 Uiso 1 1 calc GR . . . .
H60B H 0.770311 0.496714 0.551694 0.123 Uiso 1 1 calc GR . . . .
H60C H 0.803541 0.469647 0.596856 0.123 Uiso 1 1 calc GR . . . .
C37 C 1.1057(9) -0.2135(13) 0.8800(12) 0.083(5) Uani 1 1 d . U . . .
C49 C 0.7203(9) 0.2794(13) 0.5345(10) 0.085(7) Uani 1 1 d . U . . .
H49A H 0.733873 0.313313 0.545581 0.128 Uiso 1 1 calc GR . . . .
H49B H 0.693991 0.286920 0.513028 0.128 Uiso 1 1 calc GR . . . .
H49C H 0.730780 0.258666 0.518572 0.128 Uiso 1 1 calc GR . . . .
C18 C 1.0625(9) -0.2702(11) 0.6784(11) 0.083(7) Uani 1 1 d . U . . .
H18A H 1.063623 -0.269722 0.708623 0.125 Uiso 1 1 calc GR . . . .
H18B H 1.076108 -0.301425 0.676556 0.125 Uiso 1 1 calc GR . . . .
H18C H 1.036423 -0.272389 0.653861 0.125 Uiso 1 1 calc GR . . . .
C80 C 0.8276(8) 0.5747(12) 0.7132(11) 0.083(7) Uani 1 1 d . U . . .
H80A H 0.812898 0.543337 0.696255 0.125 Uiso 1 1 calc GR . . . .
H80B H 0.811165 0.605825 0.706187 0.125 Uiso 1 1 calc GR . . . .
H80C H 0.840156 0.567449 0.746484 0.125 Uiso 1 1 calc GR . . . .
C79 C 0.8860(9) 0.6326(12) 0.7301(12) 0.094(8) Uani 1 1 d . U . . .
H79A H 0.904037 0.616996 0.759892 0.140 Uiso 1 1 calc GR . . . .
H79B H 0.872086 0.661184 0.735155 0.140 Uiso 1 1 calc GR . . . .
H79C H 0.899174 0.647577 0.714837 0.140 Uiso 1 1 calc GR . . . .
C69 C 0.8963(9) 0.4350(13) 0.3733(12) 0.091(7) Uani 1 1 d . U . . .
H69A H 0.915425 0.456360 0.398581 0.136 Uiso 1 1 calc GR . . . .
H69B H 0.876887 0.458806 0.350935 0.136 Uiso 1 1 calc GR . . . .
H69C H 0.907501 0.414863 0.357940 0.136 Uiso 1 1 calc GR . . . .
C59 C 0.8345(9) 0.5093(13) 0.5501(12) 0.095(8) Uani 1 1 d . U . . .
H59A H 0.851931 0.509953 0.583482 0.142 Uiso 1 1 calc GR . . . .
H59B H 0.819062 0.541763 0.541299 0.142 Uiso 1 1 calc GR . . . .
H59C H 0.848413 0.508064 0.533276 0.142 Uiso 1 1 calc GR . . . .
C87 C 1.2220(7) 0.1574(10) 0.7491(9) 0.095(5) Uani 1 1 d D U . . .
C70 C 0.8583(9) 0.4255(14) 0.4098(12) 0.096(7) Uani 1 1 d . U . . .
H70A H 0.842223 0.399779 0.413925 0.144 Uiso 1 1 calc GR . . . .
H70B H 0.843054 0.453363 0.387860 0.144 Uiso 1 1 calc GR . . . .
H70C H 0.875369 0.442030 0.439685 0.144 Uiso 1 1 calc GR . . . .
C58 C 0.7832(9) 0.4564(13) 0.4847(11) 0.096(8) Uani 1 1 d . U . . .
H58A H 0.797926 0.454484 0.468978 0.144 Uiso 1 1 calc GR . . . .
H58B H 0.767173 0.488290 0.474079 0.144 Uiso 1 1 calc GR . . . .
H58C H 0.767690 0.424209 0.477621 0.144 Uiso 1 1 calc GR . . . .
C88 C 1.2314(9) 0.2144(10) 0.7690(11) 0.107(8) Uani 1 1 d D U . . .
H88A H 1.218706 0.240501 0.743987 0.160 Uiso 1 1 calc GR . . . .
H88B H 1.258297 0.220023 0.784012 0.160 Uiso 1 1 calc GR . . . .
H88C H 1.223004 0.218974 0.791814 0.160 Uiso 1 1 calc GR . . . .
C38 C 1.1255(10) -0.2584(13) 0.8709(13) 0.099(8) Uani 1 1 d . U . . .
H38A H 1.113798 -0.265330 0.837541 0.149 Uiso 1 1 d R . . . .
H38B H 1.124528 -0.290960 0.886781 0.149 Uiso 1 1 d R . . . .
H38C H 1.151548 -0.247990 0.882591 0.149 Uiso 1 1 d R . . . .
C101 C 0.9761(9) 0.4292(10) 0.8483(13) 0.064(7) Uani 0.5 1 d . U . A 2
C106 C 1.0153(9) 0.4317(12) 0.8768(13) 0.070(7) Uani 0.5 1 d G U . A 2
H106 H 1.029179 0.399680 0.889317 0.084 Uiso 0.5 1 calc R . . A 2
C105 C 1.0338(7) 0.4820(14) 0.8867(12) 0.074(7) Uani 0.5 1 d G U . A 2
H105 H 1.060001 0.483628 0.905779 0.089 Uiso 0.5 1 calc R . . A 2
C104 C 1.0130(8) 0.5297(11) 0.8680(13) 0.075(6) Uani 0.5 1 d G U . A 2
C103 C 0.9738(8) 0.5272(10) 0.8395(12) 0.073(7) Uani 0.5 1 d DG U . A 2
H103 H 0.959928 0.559218 0.827025 0.087 Uiso 0.5 1 calc R . . A 2
C102 C 0.9553(7) 0.4769(12) 0.8296(12) 0.067(7) Uani 0.5 1 d G U . A 2
H102 H 0.929105 0.475269 0.810562 0.081 Uiso 0.5 1 calc R . . A 2
C40 C 1.1334(11) -0.2025(15) 0.9360(13) 0.114(9) Uani 1 1 d . U . . .
H40A H 1.157312 -0.188256 0.941430 0.171 Uiso 1 1 d R . . . .
H40B H 1.137452 -0.236256 0.953060 0.171 Uiso 1 1 d R . . . .
H40C H 1.121482 -0.176486 0.946740 0.171 Uiso 1 1 d R . . . .
C39 C 1.0710(10) -0.2240(14) 0.8777(13) 0.102(8) Uani 1 1 d . U . . .
H39A H 1.062859 -0.191874 0.887402 0.152 Uiso 1 1 d R . . . .
H39B H 1.073609 -0.253933 0.898281 0.152 Uiso 1 1 d R . . . .
H39C H 1.052459 -0.233174 0.845882 0.152 Uiso 1 1 d R . . . .
C97 C 0.7942(5) 0.4048(13) 0.7639(10) 0.069(6) Uani 0.5 1 d D U . A 1
C108 C 1.0170(17) 0.623(2) 0.905(2) 0.083(10) Uani 0.5 1 d D U . A 2
H10D H 0.990117 0.620041 0.892940 0.124 Uiso 0.5 1 calc GR . . A 2
H10E H 1.023591 0.659999 0.902891 0.124 Uiso 0.5 1 calc GR . . A 2
H10F H 1.030327 0.610638 0.936991 0.124 Uiso 0.5 1 calc GR . . A 2
C107 C 1.0277(10) 0.5873(17) 0.8756(15) 0.079(7) Uani 0.5 1 d D U . A 2
C28 C 0.8396(6) -0.0820(12) 0.4300(11) 0.101(8) Uani 1 1 d D U . . .
H28A H 0.857136 -0.052077 0.438209 0.151 Uiso 1 1 calc GR . . . .
H28B H 0.835394 -0.098080 0.400872 0.151 Uiso 1 1 calc GR . . . .
H28C H 0.849827 -0.109035 0.454573 0.151 Uiso 1 1 calc GR . . . .
C2AA C 1.2408(11) 0.1143(11) 0.7867(11) 0.129(10) Uani 1 1 d D U . . .
H2AA H 1.232064 0.117521 0.809153 0.193 Uiso 1 1 calc GR . . . .
H2AB H 1.267871 0.119257 0.802425 0.193 Uiso 1 1 calc GR . . . .
H2AC H 1.234563 0.078625 0.772400 0.193 Uiso 1 1 calc GR . . . .
C0AA C 0.7823(8) -0.0274(12) 0.3795(10) 0.114(9) Uani 1 1 d D U . . .
H0AA H 0.769314 0.002452 0.384549 0.170 Uiso 1 1 calc GR . . . .
H0AB H 0.764323 -0.050041 0.354238 0.170 Uiso 1 1 calc GR . . . .
H0AC H 0.800544 -0.013297 0.371377 0.170 Uiso 1 1 calc GR . . . .
C1AA C 0.7767(8) -0.1067(12) 0.4222(12) 0.111(8) Uani 1 1 d D U . . .
H1AA H 0.790914 -0.132566 0.447016 0.166 Uiso 1 1 calc GR . . . .
H1AB H 0.766231 -0.124841 0.392206 0.166 Uiso 1 1 calc GR . . . .
H1AC H 0.756537 -0.091756 0.426257 0.166 Uiso 1 1 calc GR . . . .
C3AA C 1.2315(11) 0.1502(15) 0.7101(10) 0.129(9) Uani 1 1 d D U . . .
H3AA H 1.218598 0.118568 0.691712 0.194 Uiso 1 1 calc GR . . . .
H3AB H 1.258425 0.145489 0.723548 0.194 Uiso 1 1 calc GR . . . .
H3AC H 1.223558 0.182119 0.690274 0.194 Uiso 1 1 calc GR . . . .
C5AA C 0.7912(15) 0.4614(14) 0.7802(16) 0.084(10) Uani 0.5 1 d D U . A 1
H5AA H 0.816220 0.476069 0.799632 0.126 Uiso 0.5 1 calc GR . . A 1
H5AB H 0.778142 0.459610 0.798061 0.126 Uiso 0.5 1 calc GR . . A 1
H5AC H 0.777383 0.484708 0.753213 0.126 Uiso 0.5 1 calc GR . . A 1
C4AA C 0.7780(15) 0.3625(18) 0.7828(16) 0.090(10) Uani 0.5 1 d D U . A 1
H4AA H 0.765138 0.334750 0.759342 0.136 Uiso 0.5 1 calc GR . . A 1
H4AB H 0.760310 0.379787 0.790373 0.136 Uiso 0.5 1 calc GR . . A 1
H4AC H 0.798160 0.346177 0.810724 0.136 Uiso 0.5 1 calc GR . . A 1
C109 C 0.7767(14) 0.402(2) 0.7111(10) 0.082(10) Uani 0.5 1 d D U . A 1
H10G H 0.796387 0.397777 0.702907 0.123 Uiso 0.5 1 calc GR . . A 1
H10H H 0.762713 0.434794 0.697236 0.123 Uiso 0.5 1 calc GR . . A 1
H10I H 0.759880 0.370908 0.699417 0.123 Uiso 0.5 1 calc GR . . A 1
C7AA C 1.0110(16) 0.619(2) 0.8302(18) 0.081(10) Uani 0.5 1 d D U . A 2
H7AA H 0.992218 0.596657 0.805125 0.121 Uiso 0.5 1 calc GR . . A 2
H7AB H 1.030732 0.627983 0.823030 0.121 Uiso 0.5 1 calc GR . . A 2
H7AC H 0.999423 0.651638 0.833208 0.121 Uiso 0.5 1 calc GR . . A 2
C6AA C 1.0702(9) 0.591(3) 0.904(2) 0.084(10) Uani 0.5 1 d D U . A 2
H6AA H 1.078836 0.575590 0.934648 0.127 Uiso 0.5 1 calc GR . . A 2
H6AB H 1.077813 0.628740 0.906968 0.127 Uiso 0.5 1 calc GR . . A 2
H6AC H 1.081222 0.571121 0.888067 0.127 Uiso 0.5 1 calc GR . . A 2
Ag5 Ag 0.98099(2) 0.30520(3) 0.80378(3) 0.0277(3) Uani 0.156(7) 1 d . . . A 2
Ag8 Ag 1.06312(2) 0.06331(3) 0.77903(3) 0.0279(3) Uani 0.143(7) 1 d . . . A .
Ag12 Ag 0.86371(2) 0.17293(3) 0.58506(3) 0.0366(3) Uani 0.068(8) 1 d . . . A 2
Ag16 Ag 0.96153(2) 0.17723(3) 0.56338(3) 0.0354(3) Uani 0.106(8) 1 d . . . B 1
S5A S 0.9645(4) 0.3763(7) 0.8430(7) 0.032(3) Uani 0.5 1 d . . . A 1


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1 Au3 2.9163(13) . ?
Au1 Au13 3.2501(8) 2_756 ?
Au1 Au4 2.7170(7) 2_756 ?
Au1 Au4 2.7170(7) . ?
Au1 Au5 2.6925(9) 2_756 ?
Au1 Au5 2.6925(9) . ?
AU5a Au15 2.9063(11) . ?
AU16b S3 2.300(5) . ?
AU12a S11 2.305(5) . ?
AU12a S12 2.308(5) . ?
AU16b S17 2.303(5) . ?
Au1 Au2 3.0475(8) . ?
Au1 Au2 3.0475(8) 2_756 ?
AU5a Au6 2.7474(10) 2_756 ?
Au1 Au6 2.7801(8) . ?
Au1 Au6 2.7801(8) 2_756 ?
AG5b Au6 2.7474(10) 2_756 ?
C91a C96 1.3900 . ?
C96a C95 1.3900 . ?
C95a C94 1.3900 . ?
C94a C93 1.3900 . ?
C91a C92 1.3900 . ?
C93a C92 1.3900 . ?
S5b C101 1.79(3) . ?
C101b C106 1.3900 . ?
C106b C105 1.3900 . ?
C105b C104 1.3900 . ?
C104b C103 1.3900 . ?
C103b C102 1.3900 . ?
C101b C102 1.3900 . ?
C94a C97 1.507(10) . ?
C108b C107 1.495(10) . ?
C104b C107 1.50(4) . ?
C97a C5AA 1.507(10) . ?
C97a C4AA 1.505(10) . ?
C97a C109 1.501(10) . ?
C107b C7AA 1.499(10) . ?
C107b C6AA 1.502(10) . ?
Au1 Ag5 2.6925(9) . ?
Au1 Ag5 2.6925(9) 2_756 ?
S5b Ag5 2.34(2) . ?
C91a S5A 1.82(2) . ?
AU5a S5A 2.431(19) . ?
Au3 Au10 3.2622(13) . ?
Au3 Au7 2.7349(7) . ?
Au3 Au7 2.7348(7) 2_756 ?
Au3 Au8 2.6867(8) . ?
Au3 Au8 2.6866(8) 2_756 ?
Au3 Au2 2.8244(8) 2_756 ?
Au3 Au2 2.8243(8) . ?
Au3 Au6 3.0166(9) . ?
Au3 Au6 3.0166(9) 2_756 ?
Au3 Ag8 2.6866(8) 2_756 ?
Au10 Au8 2.8675(9) 2_756 ?
Au10 Au8 2.8676(9) . ?
Au10 S2 2.289(5) 2_756 ?
Au10 S2 2.289(5) . ?
Au10 Ag8 2.8675(9) 2_756 ?
Au7 Au8 2.7784(10) 2_756 ?
Au7 Au4 3.0992(9) 2_756 ?
Au7 Au11 3.0807(10) . ?
Au7 Au12 3.3660(10) . ?
Au7 S3 2.357(4) . ?
Au7 Au2 2.7246(9) . ?
Au7 Au6 3.0807(9) . ?
Au7 Ag8 2.7784(10) 2_756 ?
Au7 Ag12 3.3660(10) . ?
Au14 Au13 3.3411(9) 2_756 ?
Au14 Au13 3.3412(9) . ?
Au14 Au5 2.9141(10) . ?
Au14 Au5 2.9142(9) 2_756 ?
Au14 S18 2.314(5) 2_756 ?
Au14 S18 2.314(5) . ?
Au14 Ag5 2.9141(10) . ?
Au14 Ag5 2.9142(9) 2_756 ?
Au8 Au7 2.7783(10) 2_756 ?
Au8 Au11 2.9864(10) . ?
Au8 Au9 2.9100(10) . ?
Au8 S16 2.401(5) . ?
Au8 Au2 2.7343(10) 2_756 ?
Au13 Au4 2.9499(10) 2_756 ?
Au13 Au5 2.9425(10) . ?
Au13 S1 2.306(5) . ?
Au13 S18 2.314(5) . ?
Au13 Au2 3.3005(10) . ?
Au13 Ag5 2.9425(10) . ?
Au4 Au7 3.0994(9) 2_756 ?
Au4 Au13 2.9499(10) 2_756 ?
Au4 Au5 2.7967(10) . ?
Au4 S11 2.343(4) 2_756 ?
Au4 Au2 2.9505(10) 2_756 ?
Au4 Au6 2.7217(9) 2_756 ?
Au4 Ag5 2.7967(10) . ?
Au11 S4 2.301(5) . ?
Au9 S12 2.295(5) 2_756 ?
Au9 S16 2.311(5) . ?
Au15 S5 2.36(2) . ?
Au15 S17 2.298(5) 2_756 ?
Au15 Ag5 2.9063(11) . ?
Au15 S5A 2.28(2) . ?
S1 Au2 2.358(4) . ?
S1 C41 1.817(19) . ?
S2 C11 1.744(19) . ?
S3 C1 1.795(19) . ?
S3 Ag16 2.300(5) . ?
S4 Au6 2.373(5) . ?
S4 C81 1.80(2) . ?
S11 Au4 2.343(4) 2_756 ?
S11 C51 1.797(18) . ?
S11 Ag12 2.305(5) . ?
S12 Au9 2.295(5) 2_756 ?
S12 C21 1.78(2) . ?
S12 Ag12 2.308(5) . ?
S16 C31 1.79(2) . ?
S17 Au15 2.298(5) 2_756 ?
S17 C61 1.79(2) . ?
S17 Ag16 2.303(5) . ?
S18 C71 1.779(12) . ?
Au2 Au8 2.7344(10) 2_756 ?
Au2 Au4 2.9505(10) 2_756 ?
Au2 Au6 2.9598(10) 2_756 ?
Au2 Ag8 2.7344(10) 2_756 ?
Au6 Au4 2.7215(9) 2_756 ?
Au6 Au5 2.7473(10) 2_756 ?
Au6 Au2 2.9598(10) 2_756 ?
Au6 Ag5 2.7473(10) 2_756 ?
C11 C12 1.50(3) . ?
C11 C16 1.32(3) . ?
C51 C56 1.36(3) . ?
C51 C52 1.35(3) . ?
C6 C1 1.37(3) . ?
C6 C5 1.40(2) . ?
C4 C5 1.36(2) . ?
C4 C3 1.41(2) . ?
C4 C7 1.52(3) . ?
C1 C2 1.37(2) . ?
C12 C13 1.38(3) . ?
C41 C46 1.40(2) . ?
C41 C42 1.33(3) . ?
C71 C76 1.3900 . ?
C71 C72 1.3900 . ?
C76 C75 1.3900 . ?
C75 C74 1.3900 . ?
C74 C73 1.3900 . ?
C74 C77 1.58(3) . ?
C73 C72 1.3900 . ?
C2 C3 1.41(3) . ?
C43 C42 1.41(3) . ?
C43 C44 1.33(3) . ?
C56 C55 1.40(3) . ?
C46 C45 1.35(3) . ?
C62 C61 1.38(3) . ?
C62 C63 1.39(3) . ?
C31 C32 1.39(3) . ?
C31 C36 1.36(3) . ?
C44 C45 1.43(3) . ?
C44 C47 1.55(3) . ?
C21 C22 1.40(3) . ?
C21 C26 1.37(3) . ?
C13 C14 1.36(3) . ?
C61 C66 1.38(3) . ?
C16 C15 1.42(3) . ?
C22 C23 1.41(3) . ?
C55 C54 1.35(3) . ?
C26 C25 1.39(3) . ?
C52 C53 1.37(3) . ?
C32 C33 1.39(3) . ?
C54 C53 1.44(3) . ?
C54 C57 1.54(3) . ?
C64 C63 1.37(3) . ?
C64 C65 1.38(3) . ?
C64 C67 1.53(4) . ?
C14 C15 1.36(3) . ?
C14 C17 1.52(3) . ?
C23 C24 1.38(3) . ?
C24 C25 1.37(3) . ?
C24 C27 1.55(3) . ?
C81 C86 1.34(3) . ?
C81 C82 1.41(3) . ?
C33 C34 1.38(3) . ?
C34 C35 1.37(4) . ?
C34 C37 1.55(4) . ?
C86 C85 1.37(3) . ?
C82 C83 1.36(3) . ?
C35 C36 1.44(3) . ?
C66 C65 1.41(3) . ?
C83 C84 1.30(4) . ?
C10 C7 1.54(3) . ?
C7 C9 1.55(3) . ?
C7 C8 1.54(3) . ?
C47 C48 1.52(3) . ?
C47 C50 1.53(3) . ?
C47 C49 1.48(4) . ?
C17 C19 1.53(3) . ?
C17 C20 1.49(4) . ?
C17 C18 1.56(4) . ?
C85 C84 1.40(4) . ?
C57 C60 1.52(4) . ?
C57 C59 1.48(4) . ?
C57 C58 1.53(4) . ?
C84 C87 1.65(4) . ?
C77 C78 1.48(4) . ?
C77 C80 1.55(4) . ?
C77 C79 1.57(4) . ?
C27 C28 1.500(10) . ?
C27 C0AA 1.513(10) . ?
C27 C1AA 1.506(10) . ?
C67 C68 1.54(4) . ?
C67 C69 1.43(4) . ?
C67 C70 1.43(4) . ?
C37 C38 1.47(4) . ?
C37 C40 1.62(5) . ?
C37 C39 1.39(4) . ?
C87 C88 1.503(10) . ?
C87 C2AA 1.504(10) . ?
C87 C3AA 1.501(10) . ?

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
Au3 Au1 Au13 119.599(18) . 2_756 ?
S5Aa AU5a Au1 168.4(5) . . ?
S5b AG5b Au1 164.4(5) . . ?
AU5a Au1 Au3 124.12(2) . . ?
AG5b Au1 Au3 124.12(2) . . ?
AG5b Au1 Au3 124.12(2) 2_756 . ?
AU5a Au1 Au3 124.12(2) 2_756 . ?
Au1 AG5b Au14 74.23(3) . . ?
S5b AG5b Au14 99.0(5) . . ?
S5Aa AU5a Au14 94.3(5) . . ?
Au1 AU5a Au14 74.23(3) . . ?
AU5a Au1 Au13 58.46(2) 2_756 2_756 ?
AG5b Au1 Au13 58.46(2) 2_756 2_756 ?
Au1 AU5a Au13 70.29(2) . . ?
S5b AG5b Au13 94.3(4) . . ?
S5Aa AU5a Au13 104.5(4) . . ?
AG5b Au1 Au13 88.22(3) . 2_756 ?
Au3 Au1 Au2 56.482(19) . . ?
AU5a Au1 Au13 88.22(3) . 2_756 ?
Au3 Au1 Au2 56.483(19) . 2_756 ?
Au4 Au1 Au3 90.79(2) . . ?
Au4 Au1 Au3 90.79(2) 2_756 . ?
Au4 Au1 Au13 120.64(2) 2_756 2_756 ?
Au4 Au1 Au13 58.44(2) . 2_756 ?
Au4 Au1 Au4 178.41(5) 2_756 . ?
Au4 Au1 Au2 119.75(3) . . ?
Au4 Au1 Au2 119.75(3) 2_756 2_756 ?
Au4 Au1 Au2 61.26(2) 2_756 . ?
Au1 AG5b Au13 70.29(2) . . ?
AU5a Au1 Au4 62.26(2) . . ?
AG5b Au1 Au4 62.26(2) 2_756 2_756 ?
Au1 AU5a Au4 59.30(2) . . ?
AG5b Au1 Au4 116.74(3) 2_756 . ?
AG5b Au1 Au4 62.26(2) . . ?
S5b AG5b Au4 136.2(5) . . ?
AU5a Au1 Au4 116.74(3) . 2_756 ?
AU5a Au1 Au4 116.74(3) 2_756 . ?
AU5a Au1 Au4 62.26(2) 2_756 2_756 ?
AG5b Au1 Au4 116.74(3) . 2_756 ?
S5Aa AU5a Au4 125.6(4) . . ?
Au4 Au1 Au2 61.26(2) . 2_756 ?
Au4 Au1 Au6 121.48(2) 2_756 2_756 ?
Au4 Au1 Au6 59.34(2) 2_756 . ?
Au4 Au1 Au6 59.34(2) . 2_756 ?
Au4 Au1 Au6 121.48(2) . . ?
Au2 Au1 Au13 63.118(18) 2_756 2_756 ?
Au2 Au1 Au13 176.05(3) . 2_756 ?
Au2 Au1 Au2 112.97(4) . 2_756 ?
Au6 Au1 Au3 63.90(2) . . ?
Au6 Au1 Au3 63.90(2) 2_756 . ?
Au6 Au1 Au13 117.692(19) 2_756 2_756 ?
Au6 Au1 Au13 88.276(19) . 2_756 ?
Au6 Au1 Au2 60.84(2) 2_756 . ?
Au6 Au1 Au2 90.08(3) 2_756 2_756 ?
Au6 Au1 Au2 90.08(3) . . ?
Au6 Au1 Au2 60.84(2) . 2_756 ?
Au6 Au1 Au6 127.80(4) . 2_756 ?
Au1 Au3 Au10 180.0 . . ?
Au1 Au3 Au6 55.855(19) . 2_756 ?
Au1 AG5b Au4 59.30(2) . . ?
AU5a Au1 Au5 111.75(4) . 2_756 ?
C91a S5Aa Au5 113.1(10) . . ?
AG5b S5b Au15 76.4(6) . . ?
S5b AG5b Au15 52.0(5) . . ?
Au1 AU5a Au15 141.27(3) . . ?
S5Aa AU5a Au15 49.6(5) . . ?
Au1 AG5b Au15 141.27(3) . . ?
C91a S5Aa Au15 103.4(12) . . ?
C101b S5b Au15 107.0(14) . . ?
C102b C101b S5 117.3(19) . . ?
C106b C101b S5 122.6(19) . . ?
AU5a Au1 Au2 123.51(2) 2_756 . ?
AU5a Au1 Au2 123.51(2) . 2_756 ?
AG5b Au1 Au2 123.51(2) . 2_756 ?
AG5b Au1 Au2 93.87(2) 2_756 2_756 ?
AG5b Au1 Au2 123.51(2) 2_756 . ?
AU5a Au1 Au2 93.87(2) 2_756 2_756 ?
AG5b Au1 Au2 93.87(2) . . ?
AU5a Au1 Au2 93.87(2) . . ?
AU5a Au1 Au6 60.24(2) 2_756 . ?
Au1 AG5b Au6 61.46(3) . 2_756 ?
AU5a Au1 Au6 60.24(2) . 2_756 ?
AG5b Au1 Au6 171.87(4) . . ?
AU5a Au1 Au6 171.87(4) . . ?
AU5a Au1 Au6 171.87(4) 2_756 2_756 ?
S5b AG5b Au6 124.2(5) . 2_756 ?
AG5b Au1 Au6 60.24(2) . 2_756 ?
AG5b Au1 Au6 171.87(4) 2_756 2_756 ?
S5Aa AU5a Au6 130.0(5) . 2_756 ?
AG5b Au1 Au6 60.24(2) 2_756 . ?
Au1 AU5a Au6 61.46(3) . 2_756 ?
C95a C96a C91 120.0 . . ?
C93a C92a C91 120.0 . . ?
C93a C94a C95 120.0 . . ?
C96a C95a C94 120.0 . . ?
C4AAa C97a C94 108(3) . . ?
C109a C97a C94 106(2) . . ?
C94a C93a C92 120.0 . . ?
C96a C91a C92 120.0 . . ?
C103b C102b C101 120.0 . . ?
C104b C105b C106 120.0 . . ?
C101b C106b C105 120.0 . . ?
C108b C107b C104 115(4) . . ?
C105b C104b C103 120.0 . . ?
C104b C103b C102 120.0 . . ?
C106b C101b C102 120.0 . . ?
C93a C94a C97 126(2) . . ?
C95a C94a C97 114(2) . . ?
C103b C104b C107 112(2) . . ?
C105b C104b C107 128(2) . . ?
C109a C97a C5AA 111.8(10) . . ?
C94a C97a C5AA 107(3) . . ?
C4AAa C97a C5AA 111.0(14) . . ?
C109a C97a C4AA 112.3(10) . . ?
C108b C107b C7AA 101(4) . . ?
C104b C107b C7AA 112(3) . . ?
C104b C107b C6AA 114(4) . . ?
C108b C107b C6AA 100(4) . . ?
C7AAb C107b C6AA 113(4) . . ?
C101b S5b Ag5 110.1(14) . . ?
AG5b Au1 Ag5 111.75(4) . 2_756 ?
C96a C91a S5A 118.7(15) . . ?
C92a C91a S5A 121.2(15) . . ?
Au1 Au3 Au6 55.855(19) . . ?
AG5b Au14 Au13 82.96(3) 2_756 . ?
AG5b Au14 Au13 82.96(3) . 2_756 ?
Au7 Au3 Au1 93.03(2) . . ?
AU5a Au14 Au13 82.96(3) 2_756 . ?
AG5b Au14 Au13 55.61(2) 2_756 2_756 ?
AU5a Au14 Au13 55.61(2) 2_756 2_756 ?
AG5b Au14 Au13 55.61(2) . . ?
AU5a Au14 Au13 55.61(2) . . ?
Au7 Au3 Au1 93.03(2) 2_756 . ?
Au7 Au3 Au10 86.97(2) 2_756 . ?
Au7 Au3 Au10 86.97(2) . . ?
Au7 Au3 Au7 173.93(5) 2_756 . ?
Au7 Au3 Au2 124.48(2) . 2_756 ?
Au7 Au3 Au2 58.67(2) . . ?
Au7 Au3 Au2 124.49(2) 2_756 . ?
Au7 Au3 Au2 58.67(2) 2_756 2_756 ?
Au7 Au3 Au6 119.27(2) 2_756 . ?
Au7 Au3 Au6 64.56(2) 2_756 2_756 ?
Au7 Au3 Au6 119.27(2) . 2_756 ?
Au7 Au3 Au6 64.56(2) . . ?
Au8 Au3 Au1 123.35(2) 2_756 . ?
Au8 Au3 Au1 123.35(2) . . ?
Au8 Au3 Au10 56.65(2) . . ?
Au8 Au3 Au10 56.65(2) 2_756 . ?
Au8 Au3 Au7 61.65(2) . 2_756 ?
Au8 Au3 Au7 61.65(2) 2_756 . ?
Au8 Au3 Au7 114.63(3) . . ?
AU5a Au14 Au13 82.96(3) . 2_756 ?
AU5a Au14 Au5 99.79(4) . 2_756 ?
AG5b Au14 Ag5 99.79(4) . 2_756 ?
AG5b Au13 Au1 51.250(19) . . ?
AU5a Au13 Au1 51.250(19) . . ?
AU5a Au13 Au14 54.82(2) . . ?
AG5b Au13 Au14 54.82(2) . . ?
AU5a Au13 Au4 102.83(3) . 2_756 ?
AG5b Au13 Au4 102.83(3) . 2_756 ?
AU5a Au13 Au2 84.36(2) . . ?
AG5b Au13 Au2 84.36(2) . . ?
AG5b Au4 Au7 122.84(3) . 2_756 ?
AU5a Au4 Au7 122.84(3) . 2_756 ?
AG5b Au4 Au13 92.59(3) . 2_756 ?
AU5a Au4 Au13 92.59(3) . 2_756 ?
AG5b Au4 Au2 123.34(3) . 2_756 ?
AU5a Au4 Au2 123.34(3) . 2_756 ?
S5Aa Au15 Au5 54.3(5) . . ?
S5Aa Au15 S17 170.2(4) . 2_756 ?
S5b Au15 Ag5 51.6(5) . . ?
AG16a S3 Au7 99.42(17) . . ?
AU16b S3 Au7 99.42(17) . . ?
AU12a S11 Au4 101.36(18) . 2_756 ?
AG12b S11 Au4 101.36(18) . 2_756 ?
AG5b Au6 Au1 58.30(3) 2_756 . ?
AU5a Au6 Au1 58.30(3) 2_756 . ?
AG5b Au6 Au3 118.53(3) 2_756 . ?
AU5a Au6 Au3 118.53(3) 2_756 . ?
AG5b Au6 Au7 125.33(3) 2_756 . ?
AU5a Au6 Au7 125.33(3) 2_756 . ?
AU5a Au6 Au11 174.42(3) 2_756 . ?
AG5b Au6 Au11 174.42(3) 2_756 . ?
AU5a Au6 Au2 94.71(3) 2_756 2_756 ?
AG5b Au6 Au2 94.71(3) 2_756 2_756 ?
Au14 AU5a Au13 69.57(2) . . ?
Au14 AG5b Au13 69.57(2) . . ?
Au8 Au3 Au7 114.63(3) 2_756 2_756 ?
Au8 Au3 Au8 113.30(4) 2_756 . ?
Au8 Au3 Au2 59.43(2) . 2_756 ?
Au8 Au3 Au2 59.43(2) 2_756 . ?
Au8 Au3 Au2 171.42(3) 2_756 2_756 ?
Au8 Au3 Au2 171.42(3) . . ?
Au8 Au3 Au6 126.09(2) 2_756 . ?
Au8 Au3 Au6 91.61(2) 2_756 2_756 ?
Au8 Au3 Au6 91.61(2) . . ?
Au8 Au3 Au6 126.09(2) . 2_756 ?
Au2 Au3 Au1 64.10(2) 2_756 . ?
Au2 Au3 Au1 64.10(2) . . ?
Au2 Au3 Au10 115.90(2) 2_756 . ?
Au2 Au3 Au10 115.90(2) . . ?
Au2 Au3 Au2 128.21(4) . 2_756 ?
Au2 Au3 Au6 89.87(3) . . ?
Au2 Au3 Au6 60.79(2) . 2_756 ?
Au2 Au3 Au6 60.79(2) 2_756 . ?
Au2 Au3 Au6 89.87(3) 2_756 2_756 ?
Au6 Au3 Au10 124.145(19) 2_756 . ?
Au6 Au3 Au10 124.145(19) . . ?
Au6 Au3 Au6 111.71(4) . 2_756 ?
Ag8 Au3 Au1 123.35(2) 2_756 . ?
Ag8 Au3 Au10 56.65(2) 2_756 . ?
Ag8 Au3 Au7 114.63(3) 2_756 2_756 ?
Ag8 Au3 Au7 61.65(2) 2_756 . ?
Ag8 Au3 Au8 113.3 2_756 . ?
Ag8 Au3 Au8 0.0 2_756 2_756 ?
Ag8 Au3 Au2 171.42(3) 2_756 2_756 ?
Ag8 Au3 Au2 59.43(2) 2_756 . ?
Ag8 Au3 Au6 91.61(2) 2_756 2_756 ?
Ag8 Au3 Au6 126.09(2) 2_756 . ?
Au8 Au10 Au3 51.50(2) 2_756 . ?
Au8 Au10 Au3 51.50(2) . . ?
Au8 Au10 Au8 103.00(4) 2_756 . ?
S2 Au10 Au3 92.70(11) 2_756 . ?
S2 Au10 Au3 92.70(11) . . ?
S2 Au10 Au8 89.66(12) 2_756 2_756 ?
S2 Au10 Au8 93.71(12) 2_756 . ?
S2 Au10 Au8 93.71(12) . 2_756 ?
S2 Au10 Au8 89.65(12) . . ?
S2 Au10 S2 174.6(2) 2_756 . ?
S2 Au10 Ag8 93.71(12) . 2_756 ?
S2 Au10 Ag8 89.66(12) 2_756 2_756 ?
Ag8 Au10 Au3 51.50(2) 2_756 . ?
Ag8 Au10 Au8 0.0 2_756 2_756 ?
Ag8 Au10 Au8 103.0 2_756 . ?
Au3 Au7 Au8 58.32(2) . 2_756 ?
Au3 Au7 Au4 86.69(3) . 2_756 ?
Au3 Au7 Au11 71.92(2) . . ?
Au3 Au7 Au12 133.58(3) . . ?
Au3 Au7 Au6 62.15(2) . . ?
Au3 Au7 Ag8 58.32(2) . 2_756 ?
Au3 Au7 Ag12 133.58(3) . . ?
Au8 Au7 Au4 119.38(3) 2_756 2_756 ?
Au8 Au7 Au11 100.82(3) 2_756 . ?
Au8 Au7 Au12 100.88(3) 2_756 . ?
Au8 Au7 Au6 120.37(3) 2_756 . ?
Au8 Au7 Ag12 100.88(3) 2_756 . ?
Au4 AU5a Au14 98.08(3) . . ?
Au4 Au7 Au12 67.43(2) 2_756 . ?
Au4 AG5b Au14 98.08(3) . . ?
Au4 AG5b Au13 129.49(3) . . ?
Au4 Au7 Ag12 67.43(2) 2_756 . ?
Au11 Au7 Au4 113.91(3) . 2_756 ?
Au11 Au7 Au12 153.30(3) . . ?
Au11 Au7 Au6 62.63(2) . . ?
Au4 AU5a Au13 129.49(3) . . ?
Au4 AG5b Au15 89.21(3) . . ?
Au4 AU5a Au15 89.21(3) . . ?
Au11 Au7 Ag12 153.30(3) . . ?
Au15 AU5a Au14 137.05(3) . . ?
Au15 AG5b Au14 137.05(3) . . ?
Au15 AG5b Au13 133.82(3) . . ?
Au15 AU5a Au13 133.82(3) . . ?
Au15 S5Aa Au5 76.1(6) . . ?
S3 AG16a S17 173.48(17) . . ?
S3 AU16b S17 173.48(17) . . ?
S3 Au7 Au3 158.96(11) . . ?
S3 Au7 Au8 134.81(12) . 2_756 ?
S3 Au7 Au4 95.80(11) . 2_756 ?
S3 Au7 Au11 88.10(11) . . ?
S3 Au7 Au12 65.51(11) . . ?
S3 Au7 Au2 136.35(11) . . ?
S3 Au7 Au6 103.19(12) . . ?
S3 Au7 Ag8 134.81(12) . 2_756 ?
S3 Au7 Ag12 65.51(11) . . ?
Au2 Au7 Au3 62.31(2) . . ?
Au2 Au7 Au8 59.58(3) . 2_756 ?
Au2 Au7 Au4 60.47(2) . 2_756 ?
Au2 Au7 Au11 133.94(3) . . ?
Au2 Au7 Au12 71.37(2) . . ?
Au2 Au7 Au6 90.42(3) . . ?
Au2 Au7 Ag8 59.58(3) . 2_756 ?
S11 AG12b Au7 83.69(11) . . ?
Au2 Au7 Ag12 71.37(2) . . ?
Au6 Au7 Au4 52.26(2) . 2_756 ?
Au6 Au7 Au12 117.52(3) . . ?
S11 AU12a Au7 83.69(11) . . ?
S11 AU12a S12 171.73(17) . . ?
S11 AG12b S12 171.73(17) . . ?
S12 AG12b Au7 101.91(12) . . ?
Au6 Au7 Ag12 117.52(3) . . ?
Ag8 Au7 Au8 0.0 2_756 2_756 ?
Ag8 Au7 Au4 119.38(3) 2_756 2_756 ?
Ag8 Au7 Au11 100.82(3) 2_756 . ?
Ag8 Au7 Au12 100.88(3) 2_756 . ?
S12 AU12a Au7 101.91(12) . . ?
Ag8 Au7 Au6 120.37(3) 2_756 . ?
Ag8 Au7 Ag12 100.88(3) 2_756 . ?
Au13 Au14 Au13 115.52(4) 2_756 . ?
S18 Au14 Au13 43.79(12) 2_756 2_756 ?
S18 Au14 Au13 139.20(12) 2_756 . ?
S18 Au14 Au13 139.19(12) . 2_756 ?
S18 Au14 Au13 43.79(12) . . ?
S18 Au14 Au5 84.34(12) . 2_756 ?
S18 Au14 Au5 84.35(12) 2_756 . ?
S18 Au14 Au5 98.10(12) . . ?
S18 Au14 Au5 98.10(12) 2_756 2_756 ?
S18 Au14 S18 176.2(2) . 2_756 ?
S18 Au14 Ag5 84.35(12) 2_756 . ?
S18 Au14 Ag5 84.34(12) . 2_756 ?
S18 Au14 Ag5 98.10(12) 2_756 2_756 ?
S18 Au14 Ag5 98.10(12) . . ?
Au3 Au8 Au10 71.85(3) . . ?
Au3 Au8 Au7 60.03(2) . 2_756 ?
Au3 Au8 Au11 74.10(2) . . ?
Au3 Au8 Au9 143.33(3) . . ?
Au3 Au8 Au2 62.79(3) . 2_756 ?
Au10 Au8 Au11 75.71(2) . . ?
Au10 Au8 Au9 132.77(3) . . ?
Au7 Au8 Au10 94.44(3) 2_756 . ?
Au7 Au8 Au11 133.73(3) 2_756 . ?
Au7 Au8 Au9 88.02(3) 2_756 . ?
Au9 Au8 Au11 131.77(3) . . ?
S16 Au8 Au3 165.66(13) . . ?
S16 Au8 Au10 100.36(13) . . ?
S16 Au8 Au7 133.75(12) . 2_756 ?
S16 Au8 Au11 92.47(12) . . ?
S16 Au8 Au9 50.48(12) . . ?
S16 Au8 Au2 124.99(13) . 2_756 ?
Au2 Au8 Au10 134.37(3) 2_756 . ?
Au2 Au8 Au7 59.23(2) 2_756 2_756 ?
Au2 Au8 Au11 95.75(3) 2_756 . ?
Au2 Au8 Au9 86.31(3) 2_756 . ?
Au1 Au13 Au14 61.84(2) . . ?
Au1 Au13 Au2 55.44(2) . . ?
Au4 Au13 Au1 51.704(18) 2_756 . ?
Au4 Au13 Au14 86.33(2) 2_756 . ?
Au4 Au13 Au2 56.00(2) 2_756 . ?
S1 Au13 Au1 90.97(10) . . ?
S1 Au13 Au14 139.73(11) . . ?
S1 Au13 Au4 99.83(11) . 2_756 ?
S1 Au13 Au5 85.19(11) . . ?
S1 Au13 S18 173.29(16) . . ?
S1 Au13 Au2 45.60(10) . . ?
S1 Au13 Ag5 85.19(11) . . ?
S18 Au13 Au1 95.45(12) . . ?
S18 Au13 Au14 43.79(11) . . ?
S18 Au13 Au4 85.72(12) . 2_756 ?
S18 Au13 Au5 97.32(12) . . ?
S18 Au13 Au2 140.69(12) . . ?
S18 Au13 Ag5 97.32(12) . . ?
Au2 Au13 Au14 117.28(3) . . ?
Au1 Au4 Au7 89.45(3) . 2_756 ?
Au1 Au4 Au13 69.85(2) . 2_756 ?
Au1 Au4 Au5 58.44(2) . . ?
Au1 Au4 Au2 64.90(2) . 2_756 ?
Au1 Au4 Au6 61.48(2) . 2_756 ?
Au1 Au4 Ag5 58.44(2) . . ?
Au13 Au4 Au7 121.14(3) 2_756 2_756 ?
Au13 Au4 Au2 68.03(2) 2_756 2_756 ?
S11 Au4 Au1 165.91(12) 2_756 . ?
S11 Au4 Au7 89.37(12) 2_756 2_756 ?
S11 Au4 Au13 98.92(11) 2_756 2_756 ?
S11 Au4 Au5 132.62(12) 2_756 . ?
S11 Au4 Au2 103.48(12) 2_756 2_756 ?
S11 Au4 Au6 129.68(12) 2_756 2_756 ?
S11 Au4 Ag5 132.62(12) 2_756 . ?
Au2 Au4 Au7 53.46(2) 2_756 2_756 ?
Au6 Au4 Au7 63.52(2) 2_756 2_756 ?
Au6 Au4 Au13 131.22(3) 2_756 2_756 ?
Au6 Au4 Au5 59.70(2) 2_756 . ?
Au6 Au4 Au2 93.31(3) 2_756 2_756 ?
Au6 Au4 Ag5 59.70(2) 2_756 . ?
S12 Au9 Au8 130.24(13) 2_756 . ?
S12 Au9 S16 173.69(18) 2_756 . ?
S16 Au9 Au8 53.28(12) . . ?
S17 Au15 Au5 131.87(13) 2_756 . ?
S17 Au15 S5 173.5(5) 2_756 . ?
S17 Au15 Ag5 131.87(13) 2_756 . ?
Au13 S1 Au2 90.09(15) . . ?
Au6 AG5b Au14 135.66(3) 2_756 . ?
C41 S1 Au13 104.2(6) . . ?
Au6 AU5a Au14 135.66(3) 2_756 . ?
Au6 AG5b Au13 95.47(3) 2_756 . ?
Au6 AU5a Au13 95.47(3) 2_756 . ?
Au6 AU5a Au4 58.79(2) 2_756 . ?
Au6 AG5b Au4 58.79(2) 2_756 . ?
Au6 AG5b Au15 83.73(3) 2_756 . ?
Au6 AU5a Au15 83.73(3) 2_756 . ?
C41 S1 Au2 112.1(6) . . ?
Au10 S2 Au11 102.59(18) . . ?
C11 S2 Au10 102.1(7) . . ?
C11 S2 Au11 110.8(7) . . ?
C1 S3 Au7 111.7(6) . . ?
C1 S3 Au16 107.6(6) . . ?
C1 S3 Ag16 107.6(6) . . ?
Au11 S4 Au6 86.50(15) . . ?
C81 S4 Au11 113.0(7) . . ?
C81 S4 Au6 109.7(7) . . ?
C51 S11 Au4 108.5(7) . 2_756 ?
C51 S11 Au12 110.3(7) . . ?
C51 S11 Ag12 110.3(7) . . ?
Au9 S12 Au12 103.74(19) 2_756 . ?
Au9 S12 Ag12 103.74(19) 2_756 . ?
C21 S12 Au9 102.3(8) . 2_756 ?
C21 S12 Au12 108.5(7) . . ?
C21 S12 Ag12 108.5(7) . . ?
Au9 S16 Au8 76.24(15) . . ?
C31 S16 Au8 108.7(7) . . ?
C31 S16 Au9 100.4(8) . . ?
Au15 S17 Au16 106.4(2) 2_756 . ?
Au15 S17 Ag16 106.4(2) 2_756 . ?
C61 S17 Au16 108.9(7) . . ?
C61 S17 Au15 99.8(8) . 2_756 ?
C61 S17 Ag16 108.9(7) . . ?
Au14 S18 Au13 92.41(17) . . ?
C71 S18 Au14 105.2(6) . . ?
C71 S18 Au13 105.8(6) . . ?
Au1 Au2 Au13 61.44(2) . . ?
Au3 Au2 Au1 59.41(3) . . ?
Au3 Au2 Au13 120.85(3) . . ?
Au3 Au2 Au4 88.02(2) . 2_756 ?
Au3 Au2 Au6 62.82(2) . 2_756 ?
Au7 Au2 Au1 90.41(2) . . ?
Au7 Au2 Au3 59.03(2) . . ?
Au7 Au2 Au8 61.19(3) . 2_756 ?
Au7 Au2 Au13 121.69(3) . . ?
Au7 Au2 Au4 66.06(2) . 2_756 ?
Au7 Au2 Au6 121.65(3) . 2_756 ?
Au7 Au2 Ag8 61.19(3) . 2_756 ?
Au8 Au2 Au1 117.03(3) 2_756 . ?
Au8 Au2 Au3 57.78(3) 2_756 . ?
Au8 Au2 Au13 176.19(3) 2_756 . ?
Au8 Au2 Au4 126.47(3) 2_756 2_756 ?
Au8 Au2 Au6 91.90(3) 2_756 2_756 ?
Au4 Au2 Au1 53.841(18) 2_756 . ?
Au4 Au2 Au13 55.98(2) 2_756 . ?
Au4 Au2 Au6 108.47(3) 2_756 2_756 ?
S1 Au2 Au1 95.13(11) . . ?
S1 Au2 Au3 142.45(11) . . ?
S1 Au2 Au7 155.76(11) . . ?
S1 Au2 Au8 134.11(11) . 2_756 ?
S1 Au2 Au13 44.31(11) . . ?
S1 Au2 Au4 98.58(11) . 2_756 ?
S1 Au2 Au6 80.15(11) . 2_756 ?
S1 Au2 Ag8 134.11(11) . 2_756 ?
Au6 Au2 Au1 55.111(18) 2_756 . ?
Au6 Au2 Au13 84.40(2) 2_756 . ?
Ag8 Au2 Au1 117.03(3) 2_756 . ?
Ag8 Au2 Au3 57.78(3) 2_756 . ?
Ag8 Au2 Au8 0.0 2_756 2_756 ?
Ag8 Au2 Au13 176.19(3) 2_756 . ?
Ag8 Au2 Au4 126.47(3) 2_756 2_756 ?
Ag8 Au2 Au6 91.90(3) 2_756 2_756 ?
Au1 Au6 Au3 60.25(3) . . ?
Au1 Au6 Au7 88.69(2) . . ?
Au1 Au6 Au11 127.03(3) . . ?
Au1 Au6 Au2 64.05(2) . 2_756 ?
Au3 Au6 Au7 53.288(18) . . ?
Au3 Au6 Au11 66.79(2) . . ?
Au7 Au6 Au11 58.68(2) . . ?
Au4 Au6 Au1 59.18(2) 2_756 . ?
Au4 Au6 Au3 88.60(3) 2_756 . ?
Au4 Au6 Au7 64.22(2) 2_756 . ?
Au4 Au6 Au11 121.76(3) 2_756 . ?
Au4 Au6 Au5 61.51(2) 2_756 2_756 ?
Au4 Au6 Au2 122.77(3) 2_756 2_756 ?
Au4 Au6 Ag5 61.51(2) 2_756 2_756 ?
S4 Au6 Au1 166.82(11) . . ?
S4 Au6 Au3 111.37(11) . . ?
S4 Au6 Au7 93.69(11) . . ?
S4 Au6 Au4 133.17(11) . 2_756 ?
S4 Au6 Au11 45.81(11) . . ?
S4 Au6 Au5 128.61(11) . 2_756 ?
S4 Au6 Au2 103.01(11) . 2_756 ?
S4 Au6 Ag5 128.61(11) . 2_756 ?
Au2 Au6 Au3 56.396(19) 2_756 . ?
Au2 Au6 Au7 109.05(3) 2_756 . ?
Au2 Au6 Au11 87.03(3) 2_756 . ?
C12 C11 S2 119.7(14) . . ?
C16 C11 S2 124.0(16) . . ?
C16 C11 C12 115.9(18) . . ?
C56 C51 S11 122.0(15) . . ?
C52 C51 S11 117.9(15) . . ?
C52 C51 C56 120.1(18) . . ?
C1 C6 C5 120.4(17) . . ?
C5 C4 C3 117.2(17) . . ?
C5 C4 C7 123.4(16) . . ?
C3 C4 C7 119.2(16) . . ?
C6 C1 S3 123.3(14) . . ?
C2 C1 S3 117.8(15) . . ?
C2 C1 C6 118.9(17) . . ?
C4 C5 C6 122.4(17) . . ?
C13 C12 C11 120.1(17) . . ?
C46 C41 S1 119.1(14) . . ?
C42 C41 S1 121.8(14) . . ?
C42 C41 C46 119.1(18) . . ?
C76 C71 S18 116.7(9) . . ?
C76 C71 C72 120.0 . . ?
C72 C71 S18 123.2(9) . . ?
C75 C76 C71 120.0 . . ?
C76 C75 C74 120.0 . . ?
C75 C74 C77 120.6(16) . . ?
C73 C74 C75 120.0 . . ?
C73 C74 C77 119.4(16) . . ?
C74 C73 C72 120.0 . . ?
C73 C72 C71 120.0 . . ?
C1 C2 C3 121.0(18) . . ?
C44 C43 C42 121.9(19) . . ?
C51 C56 C55 119.8(19) . . ?
C45 C46 C41 120.7(19) . . ?
C61 C62 C63 121(2) . . ?
C32 C31 S16 123.1(17) . . ?
C36 C31 S16 115.6(18) . . ?
C36 C31 C32 121(2) . . ?
C41 C42 C43 120.5(18) . . ?
C43 C44 C45 117.3(19) . . ?
C43 C44 C47 123(2) . . ?
C45 C44 C47 119.2(18) . . ?
C22 C21 S12 121.0(17) . . ?
C26 C21 S12 122.3(17) . . ?
C26 C21 C22 117(2) . . ?
C14 C13 C12 121(2) . . ?
C62 C61 S17 123.0(17) . . ?
C66 C61 S17 117.4(18) . . ?
C66 C61 C62 120(2) . . ?
C11 C16 C15 122(2) . . ?
C21 C22 C23 120(2) . . ?
C54 C55 C56 122(2) . . ?
C21 C26 C25 124(2) . . ?
C4 C3 C2 120.0(17) . . ?
C51 C52 C53 121(2) . . ?
C46 C45 C44 120.5(19) . . ?
C33 C32 C31 119(2) . . ?
C55 C54 C53 116(2) . . ?
C55 C54 C57 123(2) . . ?
C53 C54 C57 120(2) . . ?
C63 C64 C65 116(2) . . ?
C63 C64 C67 120(2) . . ?
C65 C64 C67 124(2) . . ?
C52 C53 C54 120(2) . . ?
C13 C14 C17 120(2) . . ?
C15 C14 C13 119(2) . . ?
C15 C14 C17 121(2) . . ?
C14 C15 C16 122(2) . . ?
C64 C63 C62 122(2) . . ?
C24 C23 C22 122(2) . . ?
C23 C24 C27 119(2) . . ?
C25 C24 C23 118(2) . . ?
C25 C24 C27 123(2) . . ?
C86 C81 S4 123.8(17) . . ?
C86 C81 C82 120(2) . . ?
C82 C81 S4 116.3(17) . . ?
C34 C33 C32 121(2) . . ?
C33 C34 C37 118(2) . . ?
C35 C34 C33 119(3) . . ?
C35 C34 C37 122(2) . . ?
C81 C86 C85 122(2) . . ?
C83 C82 C81 115(2) . . ?
C24 C25 C26 120(2) . . ?
C34 C35 C36 121(2) . . ?
C31 C36 C35 118(2) . . ?
C61 C66 C65 118(2) . . ?
C64 C65 C66 124(2) . . ?
C84 C83 C82 128(3) . . ?
C4 C7 C10 111.9(15) . . ?
C4 C7 C9 110.8(16) . . ?
C4 C7 C8 108.7(16) . . ?
C10 C7 C9 106.5(16) . . ?
C10 C7 C8 108.8(16) . . ?
C8 C7 C9 109.9(17) . . ?
C48 C47 C44 111.4(19) . . ?
C48 C47 C50 106(2) . . ?
C50 C47 C44 110(2) . . ?
C49 C47 C44 109(2) . . ?
C49 C47 C48 111(2) . . ?
C49 C47 C50 110(2) . . ?
C14 C17 C19 109(2) . . ?
C14 C17 C18 112(2) . . ?
C19 C17 C18 108(2) . . ?
C20 C17 C14 110(2) . . ?
C20 C17 C19 109(2) . . ?
C20 C17 C18 107(2) . . ?
C86 C85 C84 119(3) . . ?
C60 C57 C54 111(2) . . ?
C60 C57 C58 110(2) . . ?
C59 C57 C54 113(2) . . ?
C59 C57 C60 108(2) . . ?
C59 C57 C58 111(3) . . ?
C58 C57 C54 105(2) . . ?
C83 C84 C85 117(3) . . ?
C83 C84 C87 126(3) . . ?
C85 C84 C87 117(2) . . ?
C78 C77 C74 109(2) . . ?
C78 C77 C80 107(2) . . ?
C78 C77 C79 104(3) . . ?
C80 C77 C74 114(2) . . ?
C80 C77 C79 111(3) . . ?
C79 C77 C74 111(2) . . ?
C28 C27 C24 107.3(18) . . ?
C28 C27 C0AA 109.9(13) . . ?
C28 C27 C1AA 112.6(14) . . ?
C0AA C27 C24 107(2) . . ?
C1AA C27 C24 111(2) . . ?
C1AA C27 C0AA 108.9(13) . . ?
C64 C67 C68 108(2) . . ?
C69 C67 C64 114(3) . . ?
C69 C67 C68 106(3) . . ?
C69 C67 C70 112(3) . . ?
C70 C67 C64 110(3) . . ?
C70 C67 C68 107(3) . . ?
C34 C37 C40 106(3) . . ?
C38 C37 C34 112(3) . . ?
C38 C37 C40 102(3) . . ?
C39 C37 C34 114(3) . . ?
C39 C37 C38 119(3) . . ?
C39 C37 C40 102(3) . . ?
C88 C87 C84 103(2) . . ?
C88 C87 C2AA 112.1(14) . . ?
C2AA C87 C84 113(2) . . ?
C3AA C87 C84 106(2) . . ?
C3AA C87 C88 110.9(14) . . ?
C3AA C87 C2AA 111.6(14) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
AG12b S11 C51 C56 12.1(19) . . . . ?
C93a C94a C97a C109a -80(2) . . . . ?
C101b C106b C105b C104b 0.0 . . . . ?
C93a C94a C97a C5AAa 161(2) . . . . ?
C107b C104b C103b C102b -179(3) . . . . ?
AU12a S11 C51 C56 12.1(19) . . . . ?
AG12b S11 C51 C52 -165.4(15) . . . . ?
AU12a S11 C51 C52 -165.4(15) . . . . ?
C96a C91a S5Aa AU5a -141.3(12) . . . . ?
C106b C105b C104b C107b 178(4) . . . . ?
AU16b S3 C1 C6 18.3(17) . . . . ?
AG16a S3 C1 C6 18.3(17) . . . . ?
AG16a S3 C1 C2 -161.2(14) . . . . ?
AU16b S3 C1 C2 -161.2(14) . . . . ?
C106b C101b C102b C103b 0.0 . . . . ?
C105b C104b C107b C7AAb 135(4) . . . . ?
C93a C94a C97a C4AAa 41(2) . . . . ?
C92a C91a S5Aa AU5a 35.8(19) . . . . ?
C105b C104b C107b C108b -110(4) . . . . ?
AU12a S12 C21 C22 -38.6(19) . . . . ?
C105b C104b C107b C6AAb 5(6) . . . . ?
AG5b S5b C101b C102b 128.8(17) . . . . ?
AG12b S12 C21 C22 -38.6(19) . . . . ?
AG12b S12 C21 C26 144.8(17) . . . . ?
S5b C101b C106b C105b 175(3) . . . . ?
C92a C91a C96a C95a 0.0 . . . . ?
C106b C105b C104b C103b 0.0 . . . . ?
S5Aa C91a C96a C95a 177.1(17) . . . . ?
C105b C104b C103b C102b 0.0 . . . . ?
C91a C96a C95a C94a 0.0 . . . . ?
C104b C103b C102b C101b 0.0 . . . . ?
C96a C95a C94a C93a 0.0 . . . . ?
S5b C101b C102b C103b -176(3) . . . . ?
C96a C95a C94a C97a 180.0(3) . . . . ?
C95a C94a C97a C109a 100(2) . . . . ?
C95a C94a C93a C92a 0.0 . . . . ?
C95a C94a C97a C4AAa -139(2) . . . . ?
C97a C94a C93a C92a 180.0(3) . . . . ?
C95a C94a C97a C5AAa -19(2) . . . . ?
C94a C93a C92a C91a 0.0 . . . . ?
C103b C104b C107b C108b 68(4) . . . . ?
C96a C91a C92a C93a 0.0 . . . . ?
C103b C104b C107b C7AAb -47(4) . . . . ?
S5Aa C91a C92a C93a -177.0(17) . . . . ?
C103b C104b C107b C6AAb -177(4) . . . . ?
AG5b S5b C101b C106b -47(2) . . . . ?
C102b C101b C106b C105b 0.0 . . . . ?
C92a C91a S5Aa Au15 -44.6(17) . . . . ?
C96a C91a S5Aa Au15 138.4(12) . . . . ?
AU12a S12 C21 C26 144.8(17) . . . . ?
Au10 S2 C11 C12 -125.2(15) . . . . ?
Au10 S2 C11 C16 62.7(19) . . . . ?
Au7 S3 C1 C6 -89.8(16) . . . . ?
Au7 S3 C1 C2 90.7(15) . . . . ?
Au14 S18 C71 C76 78.8(9) . . . . ?
Au14 S18 C71 C72 -105.1(10) . . . . ?
Au8 S16 C31 C32 -36(2) . . . . ?
Au8 S16 C31 C36 146.2(17) . . . . ?
Au13 S1 C41 C46 -49.6(17) . . . . ?
Au13 S1 C41 C42 132.0(17) . . . . ?
Au13 S18 C71 C76 175.8(8) . . . . ?
Au13 S18 C71 C72 -8.1(12) . . . . ?
Au4 S11 C51 C56 -98.1(17) 2_756 . . . ?
Au4 S11 C51 C52 84.4(17) 2_756 . . . ?
Au11 S2 C11 C12 -16.5(17) . . . . ?
Au11 S2 C11 C16 171.3(17) . . . . ?
AG16a S17 C61 C62 6(2) . . . . ?
AU16b S17 C61 C62 6(2) . . . . ?
Au11 S4 C81 C86 -4(2) . . . . ?
Au11 S4 C81 C82 169.7(15) . . . . ?
Au9 S12 C21 C22 -147.8(16) 2_756 . . . ?
Au9 S12 C21 C26 35.6(19) 2_756 . . . ?
Au9 S16 C31 C32 43(2) . . . . ?
Au9 S16 C31 C36 -135.0(18) . . . . ?
Au15 S5b C101b C106b 35(2) . . . . ?
Au15 S5b C101b C102b -149.8(17) . . . . ?
Au15 S17 C61 C62 -105(2) 2_756 . . . ?
Au15 S17 C61 C66 73(2) 2_756 . . . ?
S1 C41 C46 C45 -177.9(17) . . . . ?
S1 C41 C42 C43 178.5(16) . . . . ?
S2 C11 C12 C13 -172.5(16) . . . . ?
S2 C11 C16 C15 174.5(17) . . . . ?
S3 C1 C2 C3 176.8(15) . . . . ?
AG16a S17 C61 C66 -176.1(18) . . . . ?
AU16b S17 C61 C66 -176.1(18) . . . . ?
S4 C81 C86 C85 175.4(19) . . . . ?
S4 C81 C82 C83 -175(2) . . . . ?
S11 C51 C56 C55 -175.3(16) . . . . ?
S11 C51 C52 C53 175.2(17) . . . . ?
S12 C21 C22 C23 -172.2(16) . . . . ?
S12 C21 C26 C25 172.2(18) . . . . ?
S16 C31 C32 C33 -176.6(18) . . . . ?
S16 C31 C36 C35 175.7(19) . . . . ?
S17 C61 C66 C65 -175.4(19) . . . . ?
S18 C71 C76 C75 176.2(13) . . . . ?
S18 C71 C72 C73 -176.0(14) . . . . ?
Au2 S1 C41 C46 -145.6(15) . . . . ?
Au2 S1 C41 C42 36(2) . . . . ?
Au6 S4 C81 C86 90.5(19) . . . . ?
Au6 S4 C81 C82 -95.7(17) . . . . ?
C11 C12 C13 C14 -1(3) . . . . ?
C11 C16 C15 C14 -4(4) . . . . ?
C51 C56 C55 C54 -2(3) . . . . ?
C51 C52 C53 C54 2(3) . . . . ?
C6 C1 C2 C3 -3(3) . . . . ?
C1 C6 C5 C4 -3(3) . . . . ?
C1 C2 C3 C4 2(3) . . . . ?
C5 C6 C1 S3 -176.7(14) . . . . ?
C5 C6 C1 C2 3(3) . . . . ?
C5 C4 C3 C2 -2(3) . . . . ?
C5 C4 C7 C10 20(3) . . . . ?
C5 C4 C7 C9 138.3(19) . . . . ?
C5 C4 C7 C8 -101(2) . . . . ?
C12 C11 C16 C15 2(3) . . . . ?
C12 C13 C14 C15 -1(3) . . . . ?
C12 C13 C14 C17 179(2) . . . . ?
C41 C46 C45 C44 0(3) . . . . ?
C71 C76 C75 C74 0.0 . . . . ?
C76 C71 C72 C73 0.0 . . . . ?
C76 C75 C74 C73 0.0 . . . . ?
C76 C75 C74 C77 -179(2) . . . . ?
C75 C74 C73 C72 0.0 . . . . ?
C75 C74 C77 C78 63(3) . . . . ?
C75 C74 C77 C80 -177.0(19) . . . . ?
C75 C74 C77 C79 -51(3) . . . . ?
C74 C73 C72 C71 0.0 . . . . ?
C73 C74 C77 C78 -116(2) . . . . ?
C73 C74 C77 C80 4(3) . . . . ?
C73 C74 C77 C79 130(2) . . . . ?
C72 C71 C76 C75 0.0 . . . . ?
C43 C44 C45 C46 0(3) . . . . ?
C43 C44 C47 C48 9(3) . . . . ?
C43 C44 C47 C50 127(2) . . . . ?
C43 C44 C47 C49 -113(3) . . . . ?
C56 C51 C52 C53 -2(3) . . . . ?
C56 C55 C54 C53 1(3) . . . . ?
C56 C55 C54 C57 178(2) . . . . ?
C46 C41 C42 C43 0(3) . . . . ?
C62 C61 C66 C65 3(4) . . . . ?
C31 C32 C33 C34 0(4) . . . . ?
C42 C41 C46 C45 1(3) . . . . ?
C42 C43 C44 C45 1(3) . . . . ?
C42 C43 C44 C47 180(2) . . . . ?
C44 C43 C42 C41 -1(3) . . . . ?
C21 C22 C23 C24 -1(3) . . . . ?
C21 C26 C25 C24 1(4) . . . . ?
C13 C14 C15 C16 3(3) . . . . ?
C13 C14 C17 C19 -54(3) . . . . ?
C13 C14 C17 C20 67(3) . . . . ?
C13 C14 C17 C18 -174(2) . . . . ?
C61 C62 C63 C64 -1(4) . . . . ?
C61 C66 C65 C64 -2(4) . . . . ?
C16 C11 C12 C13 0(3) . . . . ?
C22 C21 C26 C25 -5(3) . . . . ?
C22 C23 C24 C25 -2(4) . . . . ?
C22 C23 C24 C27 175(2) . . . . ?
C55 C54 C53 C52 -2(3) . . . . ?
C55 C54 C57 C60 25(3) . . . . ?
C55 C54 C57 C59 146(3) . . . . ?
C55 C54 C57 C58 -93(3) . . . . ?
C26 C21 C22 C23 5(3) . . . . ?
C3 C4 C5 C6 2(3) . . . . ?
C3 C4 C7 C10 -165.9(17) . . . . ?
C3 C4 C7 C9 -47(2) . . . . ?
C3 C4 C7 C8 74(2) . . . . ?
C52 C51 C56 C55 2(3) . . . . ?
C45 C44 C47 C48 -172(2) . . . . ?
C45 C44 C47 C50 -55(3) . . . . ?
C45 C44 C47 C49 66(3) . . . . ?
C32 C31 C36 C35 -2(4) . . . . ?
C32 C33 C34 C35 0(4) . . . . ?
C32 C33 C34 C37 180(2) . . . . ?
C53 C54 C57 C60 -158(2) . . . . ?
C53 C54 C57 C59 -38(3) . . . . ?
C53 C54 C57 C58 83(3) . . . . ?
C15 C14 C17 C19 125(3) . . . . ?
C15 C14 C17 C20 -114(3) . . . . ?
C15 C14 C17 C18 5(3) . . . . ?
C63 C62 C61 S17 176.3(18) . . . . ?
C63 C62 C61 C66 -2(4) . . . . ?
C63 C64 C65 C66 0(4) . . . . ?
C63 C64 C67 C68 -57(3) . . . . ?
C63 C64 C67 C69 -174(3) . . . . ?
C63 C64 C67 C70 59(4) . . . . ?
C23 C24 C25 C26 2(4) . . . . ?
C23 C24 C27 C28 91(2) . . . . ?
C23 C24 C27 C0AA -27(3) . . . . ?
C23 C24 C27 C1AA -146(2) . . . . ?
C81 C86 C85 C84 -2(4) . . . . ?
C81 C82 C83 C84 0(5) . . . . ?
C33 C34 C35 C36 -1(4) . . . . ?
C33 C34 C37 C38 -165(3) . . . . ?
C33 C34 C37 C40 -55(3) . . . . ?
C33 C34 C37 C39 56(4) . . . . ?
C34 C35 C36 C31 2(4) . . . . ?
C86 C81 C82 C83 -1(3) . . . . ?
C86 C85 C84 C83 2(4) . . . . ?
C86 C85 C84 C87 -179(2) . . . . ?
C82 C81 C86 C85 2(4) . . . . ?
C82 C83 C84 C85 -1(5) . . . . ?
C82 C83 C84 C87 180(3) . . . . ?
C25 C24 C27 C28 -93(3) . . . . ?
C25 C24 C27 C0AA 150(2) . . . . ?
C25 C24 C27 C1AA 31(3) . . . . ?
C35 C34 C37 C38 15(4) . . . . ?
C35 C34 C37 C40 125(3) . . . . ?
C35 C34 C37 C39 -124(3) . . . . ?
C36 C31 C32 C33 1(4) . . . . ?
C65 C64 C63 C62 2(4) . . . . ?
C65 C64 C67 C68 122(3) . . . . ?
C65 C64 C67 C69 5(4) . . . . ?
C65 C64 C67 C70 -122(3) . . . . ?
C83 C84 C87 C88 61(3) . . . . ?
C83 C84 C87 C2AA -178(3) . . . . ?
C83 C84 C87 C3AA -56(3) . . . . ?
C7 C4 C5 C6 176.8(17) . . . . ?
C7 C4 C3 C2 -177.0(17) . . . . ?
C47 C44 C45 C46 -179(2) . . . . ?
C17 C14 C15 C16 -176(2) . . . . ?
C85 C84 C87 C88 -118(3) . . . . ?
C85 C84 C87 C2AA 3(3) . . . . ?
C85 C84 C87 C3AA 125(3) . . . . ?
C57 C54 C53 C52 -178(2) . . . . ?
C77 C74 C73 C72 179(2) . . . . ?
C27 C24 C25 C26 -174(2) . . . . ?
C67 C64 C63 C62 -179(2) . . . . ?
C67 C64 C65 C66 -180(3) . . . . ?
C37 C34 C35 C36 179(3) . . . . ?

_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_20161017b_sq_sq
_database_code_depnum_ccdc_archive 'CCDC 1967209'
loop_
_audit_author_name
_audit_author_address
'shuxin wang'
;Anhui University
China
;
_audit_update_record             
;
2019-11-21 deposited with the CCDC.	2020-01-14 downloaded from the CCDC.
;
_audit_creation_date             2019-11-21
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2016/4
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C240 H312 Ag3.37 Au32.63 S24'
_chemical_formula_sum            'C240 H312 Ag3.36 Au32.64 S24'
_chemical_formula_weight         10757.86
_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 0.0033 0.0016 '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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   74.3145(17)
_cell_length_b                   20.8019(5)
_cell_length_c                   39.5827(8)
_cell_angle_alpha                90
_cell_angle_beta                 101.783(2)
_cell_angle_gamma                90
_cell_volume                     59901(2)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    3276
_cell_measurement_temperature    170
_cell_measurement_theta_max      22.58
_cell_measurement_theta_min      2.36
_shelx_estimated_absorpt_T_max   0.139
_shelx_estimated_absorpt_T_min   0.111
_exptl_absorpt_coefficient_mu    16.335
_exptl_absorpt_correction_T_max  0.13
_exptl_absorpt_correction_T_min  0.05
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'Data reductions and absorption corrections were performed using the SAINT and SADABS programs.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            black
_exptl_crystal_colour_primary    black
_exptl_crystal_density_diffrn    2.386
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             38980
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.2
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0596
_diffrn_reflns_av_unetI/netI     0.0420
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       98
_diffrn_reflns_limit_h_min       -98
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       51
_diffrn_reflns_limit_l_min       -52
_diffrn_reflns_number            467712
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.000
_diffrn_reflns_theta_min         1.018
_diffrn_ambient_temperature      170
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Apex II'
_diffrn_measurement_method       ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                45892
_reflns_number_total             72201
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         1.883
_refine_diff_density_min         -1.194
_refine_diff_density_rms         0.180
_refine_ls_extinction_coef       0.0000001(0)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2016/4 (Sheldrick 2016)'
_refine_ls_goodness_of_fit_ref   1.012
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2763
_refine_ls_number_reflns         72201
_refine_ls_number_restraints     13
_refine_ls_R_factor_all          0.0808
_refine_ls_R_factor_gt           0.0415
_refine_ls_restrained_S_all      1.012
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0427P)²+366.6573P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0899
_refine_ls_wR_factor_ref         0.0983
_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. Shared sites
{Au1, Ag1}
{Au11, Ag11}
{Au12, Ag12}
{Au6, Ag6}
{Au5, Ag5}
{Au2, Ag2}
{Au7, Ag7}
{Au8, Ag8}
{Au3, Ag3}
{Au4, Ag4}
{Au9, Ag9}
{Au10, Ag10}
3. Restrained distances
 H14A-H135 = H22C-H215 = H25-H30A = H43-H48C
 2.15 with sigma of 0.001
 C87-C88 = C87-C89 = C147-C150 = C177-C179
 1.48 with sigma of 0.001
 C147-C148 = C207-C210 = C227-C228 = C187-C189
 1.48 with sigma of 0.001
 C197-C198
 1.5 with sigma of 0.001
4. Uiso/Uaniso restraints and constraints
Uanis(C55) = Uanis(C50)
Uanis(Au1) = Uanis(Ag1)
Uanis(Au11) = Uanis(Ag11)
Uanis(Au12) = Uanis(Ag12)
Uanis(Au6) = Uanis(Ag6)
Uanis(Au5) = Uanis(Ag5)
Uanis(Au2) = Uanis(Ag2)
Uanis(Au7) = Uanis(Ag7)
Uanis(Au8) = Uanis(Ag8)
Uanis(Au3) = Uanis(Ag3)
Uanis(Au4) = Uanis(Ag4)
Uanis(Au9) = Uanis(Ag9)
Uanis(Au10) = Uanis(Ag10)
5. Others
 Sof(Ag1)=1-FVAR(1)
 Sof(Au1)=FVAR(1)
 Sof(Ag11)=1-FVAR(2)
 Sof(Au11)=FVAR(2)
 Sof(Ag12)=1-FVAR(3)
 Sof(Au12)=FVAR(3)
 Sof(Ag6)=1-FVAR(4)
 Sof(Au6)=FVAR(4)
 Sof(Ag5)=1-FVAR(5)
 Sof(Au5)=FVAR(5)
 Sof(Ag2)=1-FVAR(6)
 Sof(Au2)=FVAR(6)
 Sof(Ag7)=1-FVAR(7)
 Sof(Au7)=FVAR(7)
 Sof(Ag8)=1-FVAR(8)
 Sof(Au8)=FVAR(8)
 Sof(Ag3)=1-FVAR(9)
 Sof(Au3)=FVAR(9)
 Sof(Ag4)=1-FVAR(10)
 Sof(Au4)=FVAR(10)
 Sof(Ag9)=1-FVAR(11)
 Sof(Au9)=FVAR(11)
 Sof(Ag10)=1-FVAR(12)
 Sof(Au10)=FVAR(12)
6.a Me refined with riding coordinates:
 C8(H8A,H8B,H8C), C18(H18A,H18B,H18C), C20(H20A,H20B,H20C), C29(H29A,H29B,
 H29C), C38(H38A,H38B,H38C), C58(H58A,H58B,H58C), C88(H88A,H88B,H88C), C98(H98A,
 H98B,H98C), C99(H99A,H99B,H99C), C108(H10G,H10H,H10I), C149(H14G,H14H,H14I),
 C158(H15D,H15E,H15F), C188(H18G,H18H,H18I), C190(H19D,H19E,H19F), C210(H21A,
 H21B,H21C), C238(H23D,H23E,H23F), C240(H24A,H24B,H24C)
6.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C5(H5), C6(H6), C12(H12), C13(H13), C15(H15), C16(H16),
 C22(H22), C23(H23), C25(H25), C26(H26), C32(H32), C33(H33), C35(H35), C36(H36),
  C42(H42), C43(H43), C45(H45), C46(H46), C52(H52), C53(H53), C55(H55),
 C56(H56), C62(H62), C63(H63), C65(H65), C66(H66), C72(H72), C73(H73), C75(H75),
  C76(H76), C82(H82), C83(H83), C85(H85), C86(H86), C92(H92), C93(H93),
 C95(H95), C96(H96), C102(H102), C103(H103), C105(H105), C106(H106), C112(H112),
  C113(H113), C115(H115), C116(H116), C122(H122), C123(H123), C125(H125),
 C126(H126), C132(H132), C133(H133), C135(H135), C136(H136), C142(H142),
 C143(H143), C145(H145), C146(H146), C152(H152), C153(H153), C155(H155),
 C156(H156), C162(H162), C163(H163), C165(H165), C166(H166), C172(H172),
 C173(H173), C175(H175), C176(H176), C182(H182), C183(H183), C185(H185),
 C186(H186), C192(H192), C193(H193), C195(H195), C196(H196), C202(H202),
 C203(H203), C205(H205), C206(H206), C212(H212), C213(H213), C215(H215),
 C216(H216), C222(H222), C223(H223), C225(H225), C226(H226), C232(H232),
 C233(H233), C235(H235), C236(H236)
6.c Idealised Me refined as rotating group:
 C9(H9A,H9B,H9C), C10(H10A,H10B,H10C), C19(H19A,H19B,H19C), C28(H28A,H28B,
 H28C), C30(H30A,H30B,H30C), C39(H39A,H39B,H39C), C40(H40A,H40B,H40C), C48(H48A,
 H48B,H48C), C49(H49A,H49B,H49C), C50(H50A,H50B,H50C), C59(H59A,H59B,H59C),
 C60(H60A,H60B,H60C), C68(H68A,H68B,H68C), C69(H69A,H69B,H69C), C70(H70A,H70B,
 H70C), C78(H78A,H78B,H78C), C79(H79A,H79B,H79C), C80(H80A,H80B,H80C), C89(H89A,
 H89B,H89C), C90(H90A,H90B,H90C), C100(H10D,H10E,H10F), C109(H10J,H10K,H10L),
 C110(H11A,H11B,H11C), C118(H11D,H11E,H11F), C119(H11G,H11H,H11I), C120(H12A,
 H12B,H12C), C128(H12D,H12E,H12F), C129(H12G,H12H,H12I), C130(H13A,H13B,H13C),
 C138(H13D,H13E,H13F), C139(H13G,H13H,H13I), C140(H14A,H14B,H14C), C148(H14D,
 H14E,H14F), C150(H15A,H15B,H15C), C159(H15G,H15H,H15I), C160(H16A,H16B,H16C),
 C168(H16D,H16E,H16F), C169(H16G,H16H,H16I), C170(H17A,H17B,H17C), C178(H17D,
 H17E,H17F), C179(H17G,H17H,H17I), C180(H18D,H18E,H18F), C189(H18J,H18K,H18L),
 C198(H19G,H19H,H19I), C199(H19J,H19K,H19L), C200(H20D,H20E,H20F), C208(H20G,
 H20H,H20I), C209(H20J,H20K,H20L), C218(H21D,H21E,H21F), C219(H21G,H21H,H21I),
 C220(H22A,H22B,H22C), C228(H22D,H22E,H22F), C229(H22G,H22H,H22I), C230(H23A,
 H23B,H23C), C239(H23G,H23H,H23I)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.11018(2) -0.09460(2) 0.17289(2) 0.04549(17) Uani 0.555(3) 1 d . . P A
30
Au2 Au 0.14031(2) 0.09954(2) 0.29832(2) 0.04790(18) Uani 0.554(3) 1 d . . P B
40
Au3 Au 0.11039(2) 0.31165(2) 0.17971(2) 0.04916(18) Uani 0.559(3) 1 d . . P C
46
Au4 Au 0.15170(2) 0.11316(2) 0.09238(2) 0.04675(17) Uani 0.553(3) 1 d . . P D
48
Au5 Au 0.11744(2) 0.07788(2) 0.34941(2) 0.05429(16) Uani 0.881(3) 1 d . . P B
38
Au7 Au 0.13066(2) 0.43150(2) 0.20559(2) 0.05923(17) Uani 0.862(3) 1 d . . P C
42
Au9 Au 0.13552(2) 0.12587(2) 0.01775(2) 0.05719(17) Uani 0.868(3) 1 d . . P D
50
Au11 Au 0.13218(2) -0.21548(2) 0.17383(2) 0.05717(17) Uani 0.860(3) 1 d . . P A
32
Au6 Au 0.07653(2) 0.09172(2) 0.28414(2) 0.05635(18) Uani 0.733(3) 1 d . . P B
36
Au8 Au 0.17329(2) 0.35003(2) 0.22159(2) 0.05691(18) Uani 0.738(3) 1 d . . P C
44
Au10 Au 0.09095(2) 0.12364(2) 0.03438(2) 0.05907(19) Uani 0.730(3) 1 d . . P D
52
Au12 Au 0.17399(2) -0.13430(2) 0.20293(2) 0.05723(18) Uani 0.737(3) 1 d . . P A
34
Au13 Au 0.16931(2) 0.01934(2) 0.28562(2) 0.04779(8) Uani 1 1 d . . . . .
Au14 Au 0.17087(2) 0.18538(2) 0.28593(2) 0.04904(8) Uani 1 1 d . . . . .
Au15 Au 0.11206(2) 0.03937(2) 0.25281(2) 0.04566(8) Uani 1 1 d . . . . .
Au16 Au 0.11311(2) 0.16974(2) 0.25571(2) 0.04530(8) Uani 1 1 d . . . . .
Au17 Au 0.07840(2) -0.03551(2) 0.19993(2) 0.04805(8) Uani 1 1 d . . . . .
Au18 Au 0.08597(2) 0.10657(2) 0.19698(2) 0.04467(8) Uani 1 1 d . . . . .
Au19 Au 0.08053(2) 0.25485(2) 0.20469(2) 0.04953(8) Uani 1 1 d . . . . .
Au20 Au 0.08517(2) -0.03428(2) 0.11812(2) 0.04785(8) Uani 1 1 d . . . . .
Au21 Au 0.08999(2) 0.11052(2) 0.12915(2) 0.04479(8) Uani 1 1 d . . . . .
Au22 Au 0.08367(2) 0.25143(2) 0.11862(2) 0.05051(8) Uani 1 1 d . . . . .
Au23 Au 0.12101(2) 0.04597(2) 0.10251(2) 0.04658(8) Uani 1 1 d . . . . .
Au24 Au 0.12074(2) 0.17635(2) 0.10487(2) 0.04925(8) Uani 1 1 d . . . . .
Au25 Au 0.17868(2) 0.02913(2) 0.13905(2) 0.04835(8) Uani 1 1 d . . . . .
Au26 Au 0.17715(2) 0.19593(2) 0.13618(2) 0.04942(8) Uani 1 1 d . . . . .
Au27 Au 0.14096(2) -0.03562(2) 0.15662(2) 0.04705(8) Uani 1 1 d . . . . .
Au28 Au 0.14390(2) 0.10858(2) 0.15696(2) 0.04219(7) Uani 1 1 d . . . . .
Au29 Au 0.14017(2) 0.25460(2) 0.15972(2) 0.04643(8) Uani 1 1 d . . . . .
Au30 Au 0.16772(2) 0.04123(2) 0.20711(2) 0.04346(8) Uani 1 1 d . . . . .
Au31 Au 0.16759(2) 0.17385(2) 0.20842(2) 0.04454(8) Uani 1 1 d . . . . .
Au32 Au 0.13679(2) -0.03942(2) 0.22342(2) 0.04452(8) Uani 1 1 d . . . . .
Au33 Au 0.13992(2) 0.10590(2) 0.22935(2) 0.04093(7) Uani 1 1 d . . . . .
Au34 Au 0.13766(2) 0.25162(2) 0.22753(2) 0.04771(8) Uani 1 1 d . . . . .
Au35 Au 0.11334(2) 0.03693(2) 0.17672(2) 0.04113(7) Uani 1 1 d . . . . .
Au36 Au 0.11343(2) 0.17950(2) 0.17876(2) 0.04229(7) Uani 1 1 d . . . . .
C1 C 0.20975(12) -0.0306(4) 0.2124(2) 0.056(2) Uani 1 1 d . . . . .
C2 C 0.21313(13) -0.0619(4) 0.18429(19) 0.047(2) Uani 1 1 d . . . . .
H2 H 0.204350 -0.091426 0.172251 0.056 Uiso 1 1 calc R . . . .
C3 C 0.22963(14) -0.0509(4) 0.1729(2) 0.061(2) Uani 1 1 d . . . . .
H3 H 0.232112 -0.071908 0.153044 0.073 Uiso 1 1 calc R . . . .
C4 C 0.24204(12) -0.0086(5) 0.1917(3) 0.062(3) Uani 1 1 d . . . . .
C5 C 0.23882(13) 0.0260(5) 0.2187(2) 0.063(3) Uani 1 1 d . . . . .
H5 H 0.247554 0.056369 0.229946 0.075 Uiso 1 1 calc R . . . .
C6 C 0.22174(13) 0.0156(4) 0.2300(3) 0.062(3) Uani 1 1 d . . . . .
H6 H 0.218801 0.039284 0.248689 0.074 Uiso 1 1 calc R . . . .
C7 C 0.26023(13) 0.0052(5) 0.1798(3) 0.068(3) Uani 1 1 d . . . . .
C8 C 0.26208(14) -0.0444(5) 0.1544(3) 0.089(4) Uani 1 1 d . . . . .
H8A H 0.252064 -0.040020 0.134121 0.133 Uiso 1 1 calc R . . . .
H8B H 0.273903 -0.039262 0.147323 0.133 Uiso 1 1 calc R . . . .
H8C H 0.261518 -0.087064 0.164605 0.133 Uiso 1 1 calc R . . . .
C9 C 0.27553(13) -0.0030(5) 0.2099(2) 0.073(3) Uani 1 1 d . . . . .
H9A H 0.281337 -0.044945 0.208467 0.109 Uiso 1 1 calc GR . . . .
H9B H 0.270781 -0.000627 0.231174 0.109 Uiso 1 1 calc GR . . . .
H9C H 0.284616 0.031128 0.209840 0.109 Uiso 1 1 calc GR . . . .
C10 C 0.26026(15) 0.0707(5) 0.1643(4) 0.098(4) Uani 1 1 d . . . . .
H10A H 0.247702 0.082434 0.152987 0.147 Uiso 1 1 calc GR . . . .
H10B H 0.268159 0.070702 0.147303 0.147 Uiso 1 1 calc GR . . . .
H10C H 0.264936 0.102005 0.182521 0.147 Uiso 1 1 calc GR . . . .
C11 C 0.17028(14) -0.2535(5) 0.1438(2) 0.067(3) Uani 1 1 d . . . . .
C12 C 0.18564(13) -0.2268(4) 0.1350(2) 0.063(3) Uani 1 1 d . . . . .
H12 H 0.192722 -0.196190 0.149884 0.076 Uiso 1 1 calc R . . . .
C13 C 0.19098(13) -0.2448(4) 0.1036(2) 0.058(2) Uani 1 1 d . . . . .
H13 H 0.202130 -0.229253 0.098484 0.070 Uiso 1 1 calc R . . . .
C14 C 0.17976(14) -0.2851(5) 0.0809(3) 0.069(3) Uani 1 1 d . . . . .
C15 C 0.16468(16) -0.3083(6) 0.0896(3) 0.080(3) Uani 1 1 d . . . . .
H15 H 0.157199 -0.337053 0.074085 0.096 Uiso 1 1 calc R . . . .
C16 C 0.15942(14) -0.2930(5) 0.1196(3) 0.075(3) Uani 1 1 d . . . . .
H16 H 0.148209 -0.309502 0.124048 0.090 Uiso 1 1 calc R . . . .
C17 C 0.18529(15) -0.3025(6) 0.0460(3) 0.086(4) Uani 1 1 d . . . . .
C18 C 0.16820(13) -0.3021(5) 0.0176(2) 0.070(3) Uani 1 1 d . . . . .
H18A H 0.159567 -0.334783 0.022449 0.105 Uiso 1 1 calc R . . . .
H18B H 0.162380 -0.259677 0.016460 0.105 Uiso 1 1 calc R . . . .
H18C H 0.171593 -0.311656 -0.004537 0.105 Uiso 1 1 calc R . . . .
C19 C 0.19195(14) -0.3734(5) 0.0495(3) 0.075(3) Uani 1 1 d . . . . .
H19A H 0.196783 -0.385417 0.029083 0.113 Uiso 1 1 calc GR . . . .
H19B H 0.181617 -0.401588 0.051296 0.113 Uiso 1 1 calc GR . . . .
H19C H 0.201655 -0.378073 0.070188 0.113 Uiso 1 1 calc GR . . . .
C20 C 0.19842(15) -0.2547(6) 0.0397(3) 0.085(4) Uani 1 1 d . . . . .
H20A H 0.209318 -0.255884 0.058469 0.128 Uiso 1 1 calc R . . . .
H20B H 0.202017 -0.263872 0.017763 0.128 Uiso 1 1 calc R . . . .
H20C H 0.192804 -0.211893 0.038760 0.128 Uiso 1 1 calc R . . . .
C21 C 0.09326(15) -0.2169(4) 0.1153(3) 0.063(3) Uani 1 1 d . . . . .
C22 C 0.07616(15) -0.2036(5) 0.0977(3) 0.074(3) Uani 1 1 d . . . . .
H22 H 0.067417 -0.188283 0.110262 0.088 Uiso 1 1 calc R . . . .
C23 C 0.07052(16) -0.2112(6) 0.0617(3) 0.077(3) Uani 1 1 d . . . . .
H23 H 0.058509 -0.199076 0.050221 0.092 Uiso 1 1 calc R . . . .
C24 C 0.08263(13) -0.2363(5) 0.0439(2) 0.064(3) Uani 1 1 d . . . . .
C25 C 0.09981(12) -0.2509(4) 0.0595(2) 0.056(2) Uani 1 1 d . . . . .
H25 H 0.108211 -0.267352 0.046523 0.068 Uiso 1 1 calc DR . . . .
C26 C 0.10553(12) -0.2417(4) 0.0962(2) 0.062(3) Uani 1 1 d . . . . .
H26 H 0.117693 -0.252573 0.107480 0.074 Uiso 1 1 calc R . . . .
C27 C 0.07696(14) -0.2493(5) 0.0059(3) 0.069(3) Uani 1 1 d . . . . .
C28 C 0.07562(17) -0.1812(5) -0.0122(3) 0.089(4) Uani 1 1 d . . . . .
H28A H 0.087952 -0.162660 -0.009607 0.134 Uiso 1 1 calc GR . . . .
H28B H 0.067913 -0.152672 -0.001457 0.134 Uiso 1 1 calc GR . . . .
H28C H 0.070162 -0.186019 -0.036794 0.134 Uiso 1 1 calc GR . . . .
C29 C 0.05894(14) -0.2790(5) -0.0019(2) 0.077(3) Uani 1 1 d . . . . .
H29A H 0.050128 -0.251775 0.006813 0.115 Uiso 1 1 calc R . . . .
H29B H 0.054990 -0.283896 -0.026957 0.115 Uiso 1 1 calc R . . . .
H29C H 0.059518 -0.321302 0.009115 0.115 Uiso 1 1 calc R . . . .
C30 C 0.09066(14) -0.2878(6) -0.0065(2) 0.082(3) Uani 1 1 d . . . . .
H30A H 0.101105 -0.260521 -0.008800 0.122 Uiso 1 1 calc DGR . . . .
H30B H 0.085176 -0.306225 -0.029073 0.122 Uiso 1 1 calc GR . . . .
H30C H 0.094908 -0.322501 0.009894 0.122 Uiso 1 1 calc GR . . . .
C31 C 0.15704(11) -0.0756(4) 0.0801(2) 0.053(2) Uani 1 1 d . . . . .
C32 C 0.14356(13) -0.1215(5) 0.0655(2) 0.063(3) Uani 1 1 d . . . . .
H32 H 0.138251 -0.149692 0.079614 0.075 Uiso 1 1 calc R . . . .
C33 C 0.13852(14) -0.1235(4) 0.0303(2) 0.061(3) Uani 1 1 d . . . . .
H33 H 0.129007 -0.152729 0.020852 0.073 Uiso 1 1 calc R . . . .
C34 C 0.14587(14) -0.0873(5) 0.0071(2) 0.067(3) Uani 1 1 d . . . . .
C35 C 0.16045(14) -0.0416(5) 0.0218(2) 0.069(3) Uani 1 1 d . . . . .
H35 H 0.166548 -0.016257 0.007655 0.082 Uiso 1 1 calc R . . . .
C36 C 0.16486(12) -0.0376(4) 0.05790(19) 0.053(2) Uani 1 1 d . . . . .
H36 H 0.173811 -0.006834 0.067950 0.063 Uiso 1 1 calc R . . . .
C37 C 0.14031(15) -0.0928(4) -0.0312(2) 0.065(3) Uani 1 1 d . . . . .
C38 C 0.12236(13) -0.1274(4) -0.0399(2) 0.064(3) Uani 1 1 d . . . . .
H38A H 0.123793 -0.170865 -0.030158 0.096 Uiso 1 1 calc R . . . .
H38B H 0.113119 -0.104010 -0.030335 0.096 Uiso 1 1 calc R . . . .
H38C H 0.118399 -0.130169 -0.065073 0.096 Uiso 1 1 calc R . . . .
C39 C 0.15574(13) -0.1312(4) -0.0448(2) 0.060(2) Uani 1 1 d . . . . .
H39A H 0.167048 -0.105660 -0.041104 0.091 Uiso 1 1 calc GR . . . .
H39B H 0.151618 -0.139862 -0.069542 0.091 Uiso 1 1 calc GR . . . .
H39C H 0.158119 -0.172022 -0.032319 0.091 Uiso 1 1 calc GR . . . .
C40 C 0.13777(13) -0.0270(4) -0.0463(2) 0.061(2) Uani 1 1 d . . . . .
H40A H 0.134053 -0.030142 -0.071460 0.092 Uiso 1 1 calc GR . . . .
H40B H 0.149357 -0.003163 -0.040247 0.092 Uiso 1 1 calc GR . . . .
H40C H 0.128225 -0.004397 -0.037132 0.092 Uiso 1 1 calc GR . . . .
C41 C 0.21304(13) 0.1207(4) 0.1232(2) 0.058(2) Uani 1 1 d . . . . .
C42 C 0.21375(12) 0.0750(5) 0.0981(2) 0.060(2) Uani 1 1 d . . . . .
H42 H 0.205397 0.039899 0.095469 0.072 Uiso 1 1 calc R . . . .
C43 C 0.22636(12) 0.0790(4) 0.0767(2) 0.059(2) Uani 1 1 d . . . . .
H43 H 0.226259 0.048094 0.058924 0.070 Uiso 1 1 calc DR . . . .
C44 C 0.23898(13) 0.1281(5) 0.0814(2) 0.060(3) Uani 1 1 d . . . . .
C45 C 0.23952(15) 0.1753(5) 0.1042(3) 0.075(3) Uani 1 1 d . . . . .
H45 H 0.247391 0.211366 0.104346 0.090 Uiso 1 1 calc R . . . .
C46 C 0.22738(13) 0.1696(5) 0.1294(3) 0.071(3) Uani 1 1 d . . . . .
H46 H 0.228899 0.196898 0.149062 0.085 Uiso 1 1 calc R . . . .
C47 C 0.25181(15) 0.1311(6) 0.0559(3) 0.085(4) Uani 1 1 d . . . . .
C48 C 0.25177(15) 0.0679(6) 0.0360(3) 0.091(4) Uani 1 1 d . . . . .
H48A H 0.252019 0.031562 0.051895 0.137 Uiso 1 1 calc GR . . . .
H48B H 0.262634 0.066139 0.025570 0.137 Uiso 1 1 calc GR . . . .
H48C H 0.240640 0.065474 0.017875 0.137 Uiso 1 1 calc DGR . . . .
C49 C 0.27226(14) 0.1404(5) 0.0773(3) 0.082(3) Uani 1 1 d . . . . .
H49A H 0.278534 0.098721 0.080205 0.123 Uiso 1 1 calc GR . . . .
H49B H 0.271899 0.158380 0.100086 0.123 Uiso 1 1 calc GR . . . .
H49C H 0.278909 0.169823 0.064926 0.123 Uiso 1 1 calc GR . . . .
C50 C 0.24695(14) 0.1885(5) 0.0325(3) 0.077(2) Uani 1 1 d . . . . .
H50A H 0.236390 0.177931 0.014100 0.115 Uiso 1 1 calc GR . . . .
H50B H 0.257475 0.199858 0.022257 0.115 Uiso 1 1 calc GR . . . .
H50C H 0.243834 0.224991 0.045864 0.115 Uiso 1 1 calc GR . . . .
C51 C 0.17378(13) 0.3457(5) 0.1309(2) 0.058(2) Uani 1 1 d . . . . .
C52 C 0.19214(14) 0.3414(6) 0.1381(3) 0.079(3) Uani 1 1 d . . . . .
H52 H 0.197485 0.299966 0.137715 0.095 Uiso 1 1 calc R . . . .
C53 C 0.20319(16) 0.3906(5) 0.1455(3) 0.074(3) Uani 1 1 d . . . . .
H53 H 0.216128 0.384612 0.149646 0.089 Uiso 1 1 calc R . . . .
C54 C 0.19596(14) 0.4514(5) 0.1473(2) 0.063(3) Uani 1 1 d . . . . .
C55 C 0.17735(15) 0.4663(5) 0.1417(3) 0.077(2) Uani 1 1 d . . . . .
H55 H 0.172704 0.508410 0.143615 0.092 Uiso 1 1 calc R . . . .
C56 C 0.16538(14) 0.4077(5) 0.1323(2) 0.070(3) Uani 1 1 d . . . . .
H56 H 0.152373 0.411777 0.127211 0.084 Uiso 1 1 calc R . . . .
C57 C 0.20809(15) 0.5110(5) 0.1572(3) 0.075(3) Uani 1 1 d . . . . .
C58 C 0.22876(11) 0.4891(4) 0.1613(2) 0.058(2) Uani 1 1 d . . . . .
H58A H 0.231914 0.459488 0.180866 0.087 Uiso 1 1 calc R . . . .
H58B H 0.230395 0.467459 0.140169 0.087 Uiso 1 1 calc R . . . .
H58C H 0.236796 0.526894 0.165440 0.087 Uiso 1 1 calc R . . . .
C59 C 0.20301(13) 0.5557(4) 0.1279(2) 0.062(3) Uani 1 1 d . . . . .
H59A H 0.198244 0.595683 0.135884 0.093 Uiso 1 1 calc GR . . . .
H59B H 0.193530 0.535993 0.110087 0.093 Uiso 1 1 calc GR . . . .
H59C H 0.213872 0.565262 0.118340 0.093 Uiso 1 1 calc GR . . . .
C60 C 0.20631(14) 0.5328(5) 0.1919(2) 0.069(3) Uani 1 1 d . . . . .
H60A H 0.214941 0.568044 0.199342 0.104 Uiso 1 1 calc GR . . . .
H60B H 0.209075 0.496965 0.208184 0.104 Uiso 1 1 calc GR . . . .
H60C H 0.193723 0.547739 0.191048 0.104 Uiso 1 1 calc GR . . . .
C61 C 0.16278(13) -0.1368(5) 0.2853(2) 0.067(3) Uani 1 1 d . . . . .
C62 C 0.15485(13) -0.1897(4) 0.2655(2) 0.053(2) Uani 1 1 d . . . . .
H62 H 0.142990 -0.187650 0.250962 0.064 Uiso 1 1 calc R . . . .
C63 C 0.16580(15) -0.2465(6) 0.2688(2) 0.072(3) Uani 1 1 d . . . . .
H63 H 0.161512 -0.284046 0.255933 0.087 Uiso 1 1 calc R . . . .
C64 C 0.18261(15) -0.2459(5) 0.2907(2) 0.067(3) Uani 1 1 d . . . . .
C65 C 0.19009(15) -0.1937(5) 0.3097(2) 0.067(3) Uani 1 1 d . . . . .
H65 H 0.201882 -0.195931 0.324437 0.080 Uiso 1 1 calc R . . . .
C66 C 0.17954(12) -0.1357(5) 0.3064(2) 0.056(2) Uani 1 1 d . . . . .
H66 H 0.184140 -0.097893 0.318674 0.067 Uiso 1 1 calc R . . . .
C67 C 0.19503(16) -0.3089(5) 0.2934(3) 0.080(3) Uani 1 1 d . . . . .
C68 C 0.21078(13) -0.2958(4) 0.2744(3) 0.067(3) Uani 1 1 d . . . . .
H68A H 0.205774 -0.277155 0.251707 0.100 Uiso 1 1 calc GR . . . .
H68B H 0.217048 -0.336300 0.271493 0.100 Uiso 1 1 calc GR . . . .
H68C H 0.219555 -0.265771 0.287931 0.100 Uiso 1 1 calc GR . . . .
C69 C 0.20176(15) -0.3238(5) 0.3314(3) 0.077(3) Uani 1 1 d . . . . .
H69A H 0.193941 -0.357042 0.338489 0.116 Uiso 1 1 calc GR . . . .
H69B H 0.201221 -0.284798 0.345030 0.116 Uiso 1 1 calc GR . . . .
H69C H 0.214476 -0.339305 0.335259 0.116 Uiso 1 1 calc GR . . . .
C70 C 0.18275(14) -0.3642(5) 0.2776(3) 0.086(4) Uani 1 1 d . . . . .
H70A H 0.171634 -0.364952 0.287336 0.129 Uiso 1 1 calc GR . . . .
H70B H 0.189387 -0.404926 0.282800 0.129 Uiso 1 1 calc GR . . . .
H70C H 0.179314 -0.358498 0.252546 0.129 Uiso 1 1 calc GR . . . .
C71 C 0.20303(13) 0.0948(4) 0.33506(19) 0.049(2) Uani 1 1 d . . . . .
C72 C 0.21595(14) 0.0435(5) 0.3449(2) 0.068(3) Uani 1 1 d . . . . .
H72 H 0.217129 0.011160 0.328518 0.082 Uiso 1 1 calc R . . . .
C73 C 0.22685(16) 0.0403(6) 0.3782(3) 0.090(4) Uani 1 1 d . . . . .
H73 H 0.235392 0.006272 0.384674 0.108 Uiso 1 1 calc R . . . .
C74 C 0.22482(15) 0.0877(6) 0.4012(2) 0.071(3) Uani 1 1 d . . . . .
C75 C 0.21353(12) 0.1402(4) 0.3924(2) 0.057(2) Uani 1 1 d . . . . .
H75 H 0.212883 0.173410 0.408542 0.068 Uiso 1 1 calc R . . . .
C76 C 0.20287(12) 0.1428(5) 0.3582(2) 0.060(2) Uani 1 1 d . . . . .
H76 H 0.195380 0.179409 0.351331 0.072 Uiso 1 1 calc R . . . .
C77 C 0.23746(15) 0.0835(6) 0.4385(3) 0.088(4) Uani 1 1 d . . . . .
C78 C 0.24629(15) 0.0194(5) 0.4453(3) 0.096(4) Uani 1 1 d . . . . .
H78A H 0.236800 -0.013490 0.444837 0.144 Uiso 1 1 calc GR . . . .
H78B H 0.254532 0.019572 0.468085 0.144 Uiso 1 1 calc GR . . . .
H78C H 0.253365 0.009868 0.427588 0.144 Uiso 1 1 calc GR . . . .
C79 C 0.25214(14) 0.1337(5) 0.4415(3) 0.090(4) Uani 1 1 d . . . . .
H79A H 0.246446 0.176425 0.438690 0.135 Uiso 1 1 calc GR . . . .
H79B H 0.259232 0.126902 0.423466 0.135 Uiso 1 1 calc GR . . . .
H79C H 0.260328 0.130778 0.464215 0.135 Uiso 1 1 calc GR . . . .
C80 C 0.22366(14) 0.0945(5) 0.4636(2) 0.082(4) Uani 1 1 d . . . . .
H80A H 0.229728 0.083322 0.487196 0.123 Uiso 1 1 calc GR . . . .
H80B H 0.212810 0.067173 0.456302 0.123 Uiso 1 1 calc GR . . . .
H80C H 0.219898 0.139672 0.462662 0.123 Uiso 1 1 calc GR . . . .
C81 C 0.14325(13) 0.2955(4) 0.3175(2) 0.059(3) Uani 1 1 d . . . . .
C82 C 0.14635(13) 0.2551(4) 0.3444(2) 0.054(2) Uani 1 1 d . . . . .
H82 H 0.154583 0.219984 0.344922 0.065 Uiso 1 1 calc R . . . .
C83 C 0.13724(15) 0.2652(5) 0.3719(2) 0.074(3) Uani 1 1 d . . . . .
H83 H 0.139691 0.238208 0.391679 0.089 Uiso 1 1 calc R . . . .
C84 C 0.12438(13) 0.3161(5) 0.3697(3) 0.064(3) Uani 1 1 d . . . . .
C85 C 0.12136(15) 0.3557(5) 0.3402(3) 0.076(3) Uani 1 1 d . . . . .
H85 H 0.112946 0.390572 0.338207 0.091 Uiso 1 1 calc R . . . .
C86 C 0.13078(14) 0.3434(5) 0.3141(3) 0.067(3) Uani 1 1 d . . . . .
H86 H 0.128445 0.368782 0.293676 0.081 Uiso 1 1 calc R . . . .
C87 C 0.11451(14) 0.3277(4) 0.3978(2) 0.079(3) Uani 1 1 d D . . . .
C88 C 0.11640(14) 0.2741(4) 0.4229(2) 0.072(3) Uani 1 1 d D . . . .
H88A H 0.109600 0.284249 0.440945 0.108 Uiso 1 1 calc R . . . .
H88B H 0.111434 0.234650 0.410927 0.108 Uiso 1 1 calc R . . . .
H88C H 0.129419 0.267772 0.433282 0.108 Uiso 1 1 calc R . . . .
C89 C 0.12115(14) 0.3867(4) 0.4173(3) 0.083(3) Uani 1 1 d D . . . .
H89A H 0.130380 0.375260 0.437859 0.125 Uiso 1 1 calc GR . . . .
H89B H 0.110801 0.408432 0.424370 0.125 Uiso 1 1 calc GR . . . .
H89C H 0.126653 0.415515 0.402665 0.125 Uiso 1 1 calc GR . . . .
C90 C 0.09383(15) 0.3373(6) 0.3829(4) 0.106(5) Uani 1 1 d . . . . .
H90A H 0.088827 0.368942 0.396815 0.158 Uiso 1 1 calc GR . . . .
H90B H 0.087386 0.296276 0.383254 0.158 Uiso 1 1 calc GR . . . .
H90C H 0.092146 0.352725 0.359040 0.158 Uiso 1 1 calc GR . . . .
C91 C 0.08963(12) -0.0416(4) 0.0424(2) 0.060(3) Uani 1 1 d . . . . .
C92 C 0.09630(14) -0.0170(4) 0.0135(2) 0.060(2) Uani 1 1 d . . . . .
H92 H 0.108693 -0.003427 0.015619 0.072 Uiso 1 1 calc R . . . .
C93 C 0.08388(15) -0.0139(5) -0.0178(2) 0.066(3) Uani 1 1 d . . . . .
H93 H 0.087866 0.002268 -0.037491 0.080 Uiso 1 1 calc R . . . .
C94 C 0.06549(15) -0.0340(5) -0.0211(3) 0.068(3) Uani 1 1 d . . . . .
C95 C 0.05954(13) -0.0583(5) 0.0072(2) 0.064(3) Uani 1 1 d . . . . .
H95 H 0.047148 -0.071845 0.005148 0.077 Uiso 1 1 calc R . . . .
C96 C 0.07172(13) -0.0628(4) 0.0382(2) 0.057(2) Uani 1 1 d . . . . .
H96 H 0.067705 -0.081080 0.057422 0.069 Uiso 1 1 calc R . . . .
C97 C 0.05162(15) -0.0269(5) -0.0554(3) 0.072(3) Uani 1 1 d . . . . .
C98 C 0.03330(13) -0.0602(5) -0.0532(3) 0.070(3) Uani 1 1 d . . . . .
H98A H 0.028013 -0.039609 -0.035211 0.105 Uiso 1 1 calc R . . . .
H98B H 0.024696 -0.056423 -0.075462 0.105 Uiso 1 1 calc R . . . .
H98C H 0.035572 -0.105767 -0.047572 0.105 Uiso 1 1 calc R . . . .
C99 C 0.05987(16) -0.0574(5) -0.0826(2) 0.081(3) Uani 1 1 d . . . . .
H99A H 0.051347 -0.053746 -0.104906 0.122 Uiso 1 1 calc R . . . .
H99B H 0.071437 -0.035725 -0.083729 0.122 Uiso 1 1 calc R . . . .
H99C H 0.062285 -0.102907 -0.076985 0.122 Uiso 1 1 calc R . . . .
C100 C 0.04772(14) 0.0452(5) -0.0617(2) 0.072(3) Uani 1 1 d . . . . .
H10D H 0.034677 0.053696 -0.062372 0.107 Uiso 1 1 calc GR . . . .
H10E H 0.050746 0.057733 -0.083741 0.107 Uiso 1 1 calc GR . . . .
H10F H 0.055238 0.070069 -0.042975 0.107 Uiso 1 1 calc GR . . . .
C101 C 0.04752(13) -0.0946(4) 0.1336(3) 0.059(3) Uani 1 1 d . . . . .
C102 C 0.03911(11) -0.1053(4) 0.0985(2) 0.053(2) Uani 1 1 d . . . . .
H102 H 0.041317 -0.075336 0.081658 0.064 Uiso 1 1 calc R . . . .
C103 C 0.02777(12) -0.1577(4) 0.0876(2) 0.057(2) Uani 1 1 d . . . . .
H103 H 0.022591 -0.164258 0.063898 0.068 Uiso 1 1 calc R . . . .
C104 C 0.02420(14) -0.2009(5) 0.1129(2) 0.066(3) Uani 1 1 d . . . . .
C105 C 0.03212(11) -0.1902(4) 0.1456(2) 0.054(2) Uani 1 1 d . . . . .
H105 H 0.030061 -0.220309 0.162471 0.065 Uiso 1 1 calc R . . . .
C106 C 0.04343(12) -0.1366(4) 0.1567(3) 0.058(2) Uani 1 1 d . . . . .
H106 H 0.048187 -0.130246 0.180596 0.069 Uiso 1 1 calc R . . . .
C107 C 0.01192(15) -0.2586(5) 0.1026(3) 0.076(3) Uani 1 1 d . . . . .
C108 C 0.00182(15) -0.2509(6) 0.0667(3) 0.099(4) Uani 1 1 d . . . . .
H10G H -0.006216 -0.213222 0.065076 0.148 Uiso 1 1 calc R . . . .
H10H H 0.010583 -0.245169 0.051529 0.148 Uiso 1 1 calc R . . . .
H10I H -0.005635 -0.289379 0.059676 0.148 Uiso 1 1 calc R . . . .
C109 C 0.02350(15) -0.3168(5) 0.1018(4) 0.106(5) Uani 1 1 d . . . . .
H10J H 0.031703 -0.309767 0.085612 0.160 Uiso 1 1 calc GR . . . .
H10K H 0.015572 -0.353896 0.094186 0.160 Uiso 1 1 calc GR . . . .
H10L H 0.030834 -0.324988 0.124877 0.160 Uiso 1 1 calc GR . . . .
C110 C -0.00174(16) -0.2675(5) 0.1253(3) 0.090(4) Uani 1 1 d . . . . .
H11A H -0.014156 -0.269883 0.111038 0.134 Uiso 1 1 calc GR . . . .
H11B H -0.000999 -0.231027 0.141239 0.134 Uiso 1 1 calc GR . . . .
H11C H 0.000991 -0.307364 0.138562 0.134 Uiso 1 1 calc GR . . . .
C111 C 0.10023(12) -0.1232(4) 0.2700(2) 0.046(2) Uani 1 1 d . . . . .
C112 C 0.09668(13) -0.1727(4) 0.2465(2) 0.060(3) Uani 1 1 d . . . . .
H112 H 0.089532 -0.163916 0.224162 0.072 Uiso 1 1 calc R . . . .
C113 C 0.10320(14) -0.2359(5) 0.2540(2) 0.067(3) Uani 1 1 d . . . . .
H113 H 0.100463 -0.269686 0.237630 0.081 Uiso 1 1 calc R . . . .
C114 C 0.11404(13) -0.2459(5) 0.2874(3) 0.071(3) Uani 1 1 d . . . . .
C115 C 0.11765(14) -0.1946(5) 0.3110(3) 0.071(3) Uani 1 1 d . . . . .
H115 H 0.124874 -0.202290 0.333343 0.086 Uiso 1 1 calc R . . . .
C116 C 0.11100(13) -0.1335(5) 0.3026(3) 0.070(3) Uani 1 1 d . . . . .
H116 H 0.113727 -0.099292 0.318725 0.084 Uiso 1 1 calc R . . . .
C117 C 0.12189(14) -0.3121(5) 0.2984(3) 0.077(3) Uani 1 1 d . . . . .
C118 C 0.14161(16) -0.3139(6) 0.2983(4) 0.128(6) Uani 1 1 d . . . . .
H11D H 0.148598 -0.317662 0.322084 0.192 Uiso 1 1 calc GR . . . .
H11E H 0.145151 -0.274221 0.288001 0.192 Uiso 1 1 calc GR . . . .
H11F H 0.144262 -0.350903 0.284842 0.192 Uiso 1 1 calc GR . . . .
C119 C 0.11272(15) -0.3559(5) 0.2707(3) 0.089(4) Uani 1 1 d . . . . .
H11G H 0.115862 -0.343236 0.248783 0.133 Uiso 1 1 calc GR . . . .
H11H H 0.099371 -0.353453 0.268674 0.133 Uiso 1 1 calc GR . . . .
H11I H 0.116856 -0.400100 0.276335 0.133 Uiso 1 1 calc GR . . . .
C120 C 0.11798(17) -0.3292(6) 0.3320(4) 0.105(5) Uani 1 1 d . . . . .
H12A H 0.120409 -0.375031 0.336414 0.158 Uiso 1 1 calc GR . . . .
H12B H 0.105060 -0.320009 0.332149 0.158 Uiso 1 1 calc GR . . . .
H12C H 0.125870 -0.303852 0.350109 0.158 Uiso 1 1 calc GR . . . .
C121 C 0.17578(12) 0.2068(4) 0.0380(2) 0.048(2) Uani 1 1 d . . . . .
C122 C 0.19448(13) 0.2189(5) 0.0490(2) 0.064(3) Uani 1 1 d . . . . .
H122 H 0.202638 0.184819 0.057687 0.077 Uiso 1 1 calc R . . . .
C123 C 0.20119(14) 0.2809(4) 0.0472(2) 0.066(3) Uani 1 1 d . . . . .
H123 H 0.213898 0.289559 0.055198 0.079 Uiso 1 1 calc R . . . .
C124 C 0.18918(14) 0.3306(5) 0.0335(2) 0.067(3) Uani 1 1 d . . . . .
C125 C 0.17071(14) 0.3185(5) 0.0226(2) 0.066(3) Uani 1 1 d . . . . .
H125 H 0.162572 0.352478 0.013650 0.080 Uiso 1 1 calc R . . . .
C126 C 0.16386(12) 0.2562(5) 0.0248(2) 0.065(3) Uani 1 1 d . . . . .
H126 H 0.151108 0.247841 0.017267 0.078 Uiso 1 1 calc R . . . .
C127 C 0.19676(12) 0.3962(5) 0.0296(3) 0.070(3) Uani 1 1 d . . . . .
C128 C 0.21536(15) 0.4033(5) 0.0502(3) 0.088(4) Uani 1 1 d . . . . .
H12D H 0.215119 0.397786 0.074710 0.131 Uiso 1 1 calc GR . . . .
H12E H 0.220059 0.446183 0.046516 0.131 Uiso 1 1 calc GR . . . .
H12F H 0.223386 0.370632 0.043236 0.131 Uiso 1 1 calc GR . . . .
C129 C 0.19628(15) 0.4115(5) -0.0066(3) 0.080(3) Uani 1 1 d . . . . .
H12G H 0.192775 0.373043 -0.020727 0.120 Uiso 1 1 calc GR . . . .
H12H H 0.208463 0.425952 -0.009230 0.120 Uiso 1 1 calc GR . . . .
H12I H 0.187272 0.445647 -0.014092 0.120 Uiso 1 1 calc GR . . . .
C130 C 0.18407(15) 0.4463(5) 0.0442(3) 0.089(4) Uani 1 1 d . . . . .
H13A H 0.183008 0.485756 0.030371 0.133 Uiso 1 1 calc GR . . . .
H13B H 0.189546 0.456376 0.068259 0.133 Uiso 1 1 calc GR . . . .
H13C H 0.171835 0.427650 0.042836 0.133 Uiso 1 1 calc GR . . . .
C131 C 0.10611(12) 0.2196(4) -0.0246(2) 0.060(2) Uani 1 1 d . . . . .
C132 C 0.12003(13) 0.2431(5) -0.0428(3) 0.081(3) Uani 1 1 d . . . . .
H132 H 0.129513 0.215223 -0.046688 0.097 Uiso 1 1 calc R . . . .
C133 C 0.11945(17) 0.3064(6) -0.0544(3) 0.090(4) Uani 1 1 d . . . . .
H133 H 0.128482 0.321299 -0.066373 0.108 Uiso 1 1 calc R . . . .
C134 C 0.10638(15) 0.3463(4) -0.0488(3) 0.069(3) Uani 1 1 d . . . . .
C135 C 0.09275(15) 0.3280(5) -0.0296(2) 0.073(3) Uani 1 1 d . . . . .
H135 H 0.083992 0.357741 -0.024389 0.087 Uiso 1 1 calc DR . . . .
C136 C 0.09314(14) 0.2612(5) -0.0184(3) 0.069(3) Uani 1 1 d . . . . .
H136 H 0.084070 0.246363 -0.006501 0.083 Uiso 1 1 calc R . . . .
C137 C 0.10667(16) 0.4175(6) -0.0603(3) 0.079(3) Uani 1 1 d . . . . .
C138 C 0.12305(15) 0.4485(6) -0.0384(3) 0.085(4) Uani 1 1 d . . . . .
H13D H 0.119217 0.486960 -0.027438 0.127 Uiso 1 1 calc GR . . . .
H13E H 0.131792 0.460590 -0.052757 0.127 Uiso 1 1 calc GR . . . .
H13F H 0.128939 0.418216 -0.020517 0.127 Uiso 1 1 calc GR . . . .
C139 C 0.10560(14) 0.4145(5) -0.0976(2) 0.083(4) Uani 1 1 d . . . . .
H13G H 0.105959 0.458205 -0.106747 0.124 Uiso 1 1 calc GR . . . .
H13H H 0.094089 0.393622 -0.108707 0.124 Uiso 1 1 calc GR . . . .
H13I H 0.116031 0.389818 -0.102360 0.124 Uiso 1 1 calc GR . . . .
C140 C 0.08924(15) 0.4509(5) -0.0542(3) 0.101(4) Uani 1 1 d . . . . .
H14A H 0.090172 0.457814 -0.029457 0.152 Uiso 1 1 calc DGR . . . .
H14B H 0.078531 0.423901 -0.063232 0.152 Uiso 1 1 calc GR . . . .
H14C H 0.087867 0.492440 -0.066194 0.152 Uiso 1 1 calc GR . . . .
C141 C 0.05221(13) 0.1426(5) 0.0650(2) 0.059(2) Uani 1 1 d . . . . .
C142 C 0.04833(14) 0.1844(5) 0.0386(3) 0.079(3) Uani 1 1 d . . . . .
H142 H 0.056771 0.189971 0.023721 0.095 Uiso 1 1 calc R . . . .
C143 C 0.03180(13) 0.2203(5) 0.0327(3) 0.075(3) Uani 1 1 d . . . . .
H143 H 0.028967 0.249400 0.013870 0.090 Uiso 1 1 calc R . . . .
C144 C 0.01984(12) 0.2121(5) 0.0550(3) 0.069(3) Uani 1 1 d . . . . .
C145 C 0.02384(13) 0.1691(5) 0.0821(3) 0.065(3) Uani 1 1 d . . . . .
H145 H 0.015487 0.163564 0.097066 0.078 Uiso 1 1 calc R . . . .
C146 C 0.03994(14) 0.1341(5) 0.0873(2) 0.068(3) Uani 1 1 d . . . . .
H146 H 0.042724 0.104592 0.105985 0.081 Uiso 1 1 calc R . . . .
C147 C 0.00213(15) 0.2498(4) 0.0467(2) 0.078(3) Uani 1 1 d D . . . .
C148 C 0.00264(14) 0.3028(5) 0.0220(2) 0.072(3) Uani 1 1 d D . . . .
H14D H 0.002296 0.284937 -0.001010 0.108 Uiso 1 1 calc GR . . . .
H14E H 0.013970 0.327647 0.029359 0.108 Uiso 1 1 calc GR . . . .
H14F H -0.008007 0.330934 0.021339 0.108 Uiso 1 1 calc GR . . . .
C149 C -0.01428(14) 0.2036(6) 0.0345(4) 0.115(5) Uani 1 1 d . . . . .
H14G H -0.014064 0.169366 0.051601 0.173 Uiso 1 1 calc R . . . .
H14H H -0.025834 0.227538 0.031853 0.173 Uiso 1 1 calc R . . . .
H14I H -0.013304 0.184556 0.012283 0.173 Uiso 1 1 calc R . . . .
C150 C -0.00121(14) 0.2788(5) 0.0791(2) 0.100(4) Uani 1 1 d D . . . .
H15A H -0.014327 0.288311 0.076541 0.149 Uiso 1 1 calc GR . . . .
H15B H 0.005891 0.318612 0.083859 0.149 Uiso 1 1 calc GR . . . .
H15C H 0.002608 0.248554 0.098176 0.149 Uiso 1 1 calc GR . . . .
C151 C 0.04271(12) 0.0757(4) 0.2125(2) 0.052(2) Uani 1 1 d . . . . .
C152 C 0.03172(11) 0.0927(4) 0.1825(2) 0.051(2) Uani 1 1 d . . . . .
H152 H 0.034389 0.130944 0.171318 0.061 Uiso 1 1 calc R . . . .
C153 C 0.01653(13) 0.0560(4) 0.1671(3) 0.066(3) Uani 1 1 d . . . . .
H153 H 0.009136 0.067641 0.145460 0.079 Uiso 1 1 calc R . . . .
C154 C 0.01283(13) 0.0038(5) 0.1841(3) 0.067(3) Uani 1 1 d . . . . .
C155 C 0.02350(12) -0.0177(4) 0.2161(2) 0.055(2) Uani 1 1 d . . . . .
H155 H 0.020444 -0.054463 0.228032 0.067 Uiso 1 1 calc R . . . .
C156 C 0.03929(13) 0.0215(4) 0.2286(2) 0.057(2) Uani 1 1 d . . . . .
H156 H 0.047648 0.008756 0.249019 0.068 Uiso 1 1 calc R . . . .
C157 C -0.00414(14) -0.0386(5) 0.1709(3) 0.072(3) Uani 1 1 d . . . . .
C158 C -0.01626(17) -0.0047(6) 0.1426(3) 0.117(5) Uani 1 1 d . . . . .
H15D H -0.020384 0.035707 0.151251 0.175 Uiso 1 1 calc R . . . .
H15E H -0.009545 0.004547 0.124269 0.175 Uiso 1 1 calc R . . . .
H15F H -0.026949 -0.031663 0.133387 0.175 Uiso 1 1 calc R . . . .
C159 C -0.01464(16) -0.0518(6) 0.1988(3) 0.098(4) Uani 1 1 d . . . . .
H15G H -0.017807 -0.097536 0.198712 0.148 Uiso 1 1 calc GR . . . .
H15H H -0.025927 -0.026057 0.194720 0.148 Uiso 1 1 calc GR . . . .
H15I H -0.007041 -0.040356 0.221281 0.148 Uiso 1 1 calc GR . . . .
C160 C 0.00118(17) -0.0986(6) 0.1548(4) 0.111(5) Uani 1 1 d . . . . .
H16A H 0.013640 -0.093855 0.150459 0.166 Uiso 1 1 calc GR . . . .
H16B H -0.007442 -0.106345 0.132882 0.166 Uiso 1 1 calc GR . . . .
H16C H 0.000846 -0.134943 0.170362 0.166 Uiso 1 1 calc GR . . . .
C161 C 0.08245(10) -0.0182(4) 0.3496(2) 0.049(2) Uani 1 1 d . . . . .
C162 C 0.06770(11) -0.0483(4) 0.3296(2) 0.052(2) Uani 1 1 d . . . . .
H162 H 0.059766 -0.025682 0.311626 0.062 Uiso 1 1 calc R . . . .
C163 C 0.06457(13) -0.1115(4) 0.3359(2) 0.058(2) Uani 1 1 d . . . . .
H163 H 0.054353 -0.132994 0.322133 0.069 Uiso 1 1 calc R . . . .
C164 C 0.07642(14) -0.1457(5) 0.3628(3) 0.063(3) Uani 1 1 d . . . . .
C165 C 0.09123(14) -0.1143(5) 0.3819(3) 0.065(3) Uani 1 1 d . . . . .
H165 H 0.099576 -0.137396 0.398992 0.078 Uiso 1 1 calc R . . . .
C166 C 0.09436(12) -0.0492(5) 0.3768(2) 0.062(3) Uani 1 1 d . . . . .
H166 H 0.104160 -0.026749 0.391165 0.075 Uiso 1 1 calc R . . . .
C167 C 0.07220(14) -0.2162(5) 0.3687(3) 0.076(3) Uani 1 1 d . . . . .
C168 C 0.06086(15) -0.2465(5) 0.3384(3) 0.094(4) Uani 1 1 d . . . . .
H16D H 0.047846 -0.241235 0.339188 0.141 Uiso 1 1 calc GR . . . .
H16E H 0.063817 -0.292370 0.338177 0.141 Uiso 1 1 calc GR . . . .
H16F H 0.063290 -0.226136 0.317431 0.141 Uiso 1 1 calc GR . . . .
C169 C 0.06326(14) -0.2209(5) 0.4000(3) 0.082(3) Uani 1 1 d . . . . .
H16G H 0.058743 -0.178445 0.405047 0.122 Uiso 1 1 calc GR . . . .
H16H H 0.072331 -0.236076 0.419935 0.122 Uiso 1 1 calc GR . . . .
H16I H 0.052951 -0.251192 0.395100 0.122 Uiso 1 1 calc GR . . . .
C170 C 0.09096(17) -0.2491(6) 0.3770(3) 0.105(4) Uani 1 1 d . . . . .
H17A H 0.096660 -0.241668 0.401228 0.157 Uiso 1 1 calc GR . . . .
H17B H 0.098835 -0.231331 0.362199 0.157 Uiso 1 1 calc GR . . . .
H17C H 0.089412 -0.295399 0.372763 0.157 Uiso 1 1 calc GR . . . .
C171 C 0.15860(12) 0.0052(4) 0.37405(18) 0.048(2) Uani 1 1 d . . . . .
C172 C 0.14701(12) -0.0473(4) 0.3697(2) 0.056(2) Uani 1 1 d . . . . .
H172 H 0.134434 -0.044110 0.358635 0.068 Uiso 1 1 calc R . . . .
C173 C 0.15513(15) -0.1067(5) 0.3830(2) 0.065(3) Uani 1 1 d . . . . .
H173 H 0.147395 -0.143401 0.381654 0.078 Uiso 1 1 calc R . . . .
C174 C 0.17334(13) -0.1141(4) 0.3976(3) 0.060(2) Uani 1 1 d . . . . .
C175 C 0.18399(12) -0.0593(5) 0.4003(2) 0.061(3) Uani 1 1 d . . . . .
H175 H 0.196765 -0.063429 0.409600 0.074 Uiso 1 1 calc R . . . .
C176 C 0.17721(12) 0.0022(4) 0.3901(2) 0.064(3) Uani 1 1 d . . . . .
H176 H 0.184755 0.039398 0.393950 0.077 Uiso 1 1 calc R . . . .
C177 C 0.18066(14) -0.1768(5) 0.4087(2) 0.067(3) Uani 1 1 d D . . . .
C178 C 0.17420(16) -0.2268(5) 0.3776(4) 0.103(4) Uani 1 1 d . . . . .
H17D H 0.180212 -0.268379 0.383728 0.154 Uiso 1 1 calc GR . . . .
H17E H 0.177606 -0.210344 0.356625 0.154 Uiso 1 1 calc GR . . . .
H17F H 0.160832 -0.232326 0.373664 0.154 Uiso 1 1 calc GR . . . .
C179 C 0.17414(14) -0.1964(5) 0.4401(2) 0.082(3) Uani 1 1 d D . . . .
H17G H 0.166399 -0.162339 0.446587 0.123 Uiso 1 1 calc GR . . . .
H17H H 0.184732 -0.203633 0.458936 0.123 Uiso 1 1 calc GR . . . .
H17I H 0.166986 -0.236127 0.435422 0.123 Uiso 1 1 calc GR . . . .
C180 C 0.20064(14) -0.1755(5) 0.4149(3) 0.090(4) Uani 1 1 d . . . . .
H18D H 0.205341 -0.146342 0.434134 0.135 Uiso 1 1 calc GR . . . .
H18E H 0.204572 -0.160275 0.394102 0.135 Uiso 1 1 calc GR . . . .
H18F H 0.205455 -0.218819 0.420620 0.135 Uiso 1 1 calc GR . . . .
C181 C 0.10965(12) 0.3400(4) 0.0748(2) 0.058(2) Uani 1 1 d . . . . .
C182 C 0.10610(12) 0.3862(3) 0.0989(2) 0.051(2) Uani 1 1 d . . . . .
H182 H 0.099700 0.374410 0.116458 0.061 Uiso 1 1 calc R . . . .
C183 C 0.11206(14) 0.4490(5) 0.0967(2) 0.071(3) Uani 1 1 d . . . . .
H183 H 0.109308 0.480682 0.112142 0.085 Uiso 1 1 calc R . . . .
C184 C 0.12197(16) 0.4655(5) 0.0720(3) 0.079(3) Uani 1 1 d . . . . .
C185 C 0.12532(13) 0.4180(4) 0.0495(3) 0.064(3) Uani 1 1 d . . . . .
H185 H 0.131962 0.428379 0.032140 0.077 Uiso 1 1 calc R . . . .
C186 C 0.11942(12) 0.3582(5) 0.0518(3) 0.065(3) Uani 1 1 d . . . . .
H186 H 0.122309 0.326878 0.036294 0.078 Uiso 1 1 calc R . . . .
C187 C 0.12878(13) 0.5362(5) 0.0712(3) 0.084(3) Uani 1 1 d D . . . .
C188 C 0.14602(14) 0.5312(5) 0.0550(3) 0.078(3) Uani 1 1 d . . . . .
H18G H 0.142391 0.516211 0.031130 0.117 Uiso 1 1 calc R . . . .
H18H H 0.151816 0.573611 0.055349 0.117 Uiso 1 1 calc R . . . .
H18I H 0.154749 0.500772 0.068316 0.117 Uiso 1 1 calc R . . . .
C189 C 0.11365(15) 0.5712(6) 0.0485(3) 0.105(4) Uani 1 1 d D . . . .
H18J H 0.107042 0.541767 0.030915 0.157 Uiso 1 1 calc GR . . . .
H18K H 0.118731 0.606844 0.037251 0.157 Uiso 1 1 calc GR . . . .
H18L H 0.105158 0.588067 0.062295 0.157 Uiso 1 1 calc GR . . . .
C190 C 0.13451(16) 0.5587(5) 0.1069(3) 0.090(4) Uani 1 1 d . . . . .
H19D H 0.144553 0.531675 0.119138 0.135 Uiso 1 1 calc R . . . .
H19E H 0.138710 0.603385 0.106946 0.135 Uiso 1 1 calc R . . . .
H19F H 0.124081 0.556193 0.118558 0.135 Uiso 1 1 calc R . . . .
C191 C 0.04810(12) 0.3161(4) 0.1430(2) 0.053(2) Uani 1 1 d . . . . .
C192 C 0.05123(15) 0.3638(5) 0.1211(2) 0.072(3) Uani 1 1 d . . . . .
H192 H 0.061400 0.360231 0.110062 0.087 Uiso 1 1 calc R . . . .
C193 C 0.03997(12) 0.4171(5) 0.1147(2) 0.062(2) Uani 1 1 d . . . . .
H193 H 0.042294 0.449893 0.099434 0.075 Uiso 1 1 calc R . . . .
C194 C 0.02497(14) 0.4218(5) 0.1313(3) 0.070(3) Uani 1 1 d . . . . .
C195 C 0.02146(14) 0.3738(5) 0.1531(3) 0.071(3) Uani 1 1 d . . . . .
H195 H 0.011290 0.377505 0.164161 0.085 Uiso 1 1 calc R . . . .
C196 C 0.03275(12) 0.3201(4) 0.1591(2) 0.059(2) Uani 1 1 d . . . . .
H196 H 0.030218 0.286551 0.173679 0.070 Uiso 1 1 calc R . . . .
C197 C 0.01246(15) 0.4810(6) 0.1215(2) 0.089(4) Uani 1 1 d D . . . .
C198 C 0.00774(16) 0.4944(6) 0.0835(2) 0.094(4) Uani 1 1 d D . . . .
H19G H 0.000133 0.533254 0.079231 0.141 Uiso 1 1 calc GR . . . .
H19H H 0.000933 0.457930 0.071449 0.141 Uiso 1 1 calc GR . . . .
H19I H 0.019066 0.500957 0.074842 0.141 Uiso 1 1 calc GR . . . .
C199 C -0.00391(16) 0.4697(5) 0.1377(4) 0.106(5) Uani 1 1 d . . . . .
H19J H 0.000059 0.469340 0.162854 0.159 Uiso 1 1 calc GR . . . .
H19K H -0.009541 0.428300 0.129879 0.159 Uiso 1 1 calc GR . . . .
H19L H -0.012897 0.504212 0.130836 0.159 Uiso 1 1 calc GR . . . .
C200 C 0.02318(17) 0.5359(6) 0.1385(4) 0.124(6) Uani 1 1 d . . . . .
H20D H 0.026092 0.528827 0.163521 0.186 Uiso 1 1 calc GR . . . .
H20E H 0.015961 0.575400 0.133392 0.186 Uiso 1 1 calc GR . . . .
H20F H 0.034606 0.539882 0.129961 0.186 Uiso 1 1 calc GR . . . .
C201 C 0.08132(12) 0.2643(4) 0.2893(3) 0.061(3) Uani 1 1 d . . . . .
C202 C 0.06445(15) 0.2911(5) 0.2808(3) 0.072(3) Uani 1 1 d . . . . .
H202 H 0.060732 0.310889 0.258888 0.086 Uiso 1 1 calc R . . . .
C203 C 0.05280(14) 0.2904(5) 0.3027(2) 0.067(3) Uani 1 1 d . . . . .
H203 H 0.041501 0.313191 0.297160 0.081 Uiso 1 1 calc R . . . .
C204 C 0.05734(15) 0.2563(5) 0.3337(2) 0.066(3) Uani 1 1 d . . . . .
C205 C 0.07401(11) 0.2314(4) 0.3421(2) 0.054(2) Uani 1 1 d . . . . .
H205 H 0.077615 0.211145 0.363999 0.065 Uiso 1 1 calc R . . . .
C206 C 0.08678(13) 0.2337(5) 0.3198(3) 0.065(3) Uani 1 1 d . . . . .
H206 H 0.098600 0.214555 0.326104 0.078 Uiso 1 1 calc R . . . .
C207 C 0.04331(14) 0.2571(5) 0.3567(2) 0.073(3) Uani 1 1 d D . . . .
C208 C 0.02463(16) 0.2354(6) 0.3387(3) 0.103(4) Uani 1 1 d . . . . .
H20G H 0.015906 0.271015 0.337815 0.155 Uiso 1 1 calc GR . . . .
H20H H 0.020684 0.199319 0.351386 0.155 Uiso 1 1 calc GR . . . .
H20I H 0.025052 0.221724 0.315226 0.155 Uiso 1 1 calc GR . . . .
C209 C 0.04343(16) 0.3224(5) 0.3752(3) 0.091(4) Uani 1 1 d . . . . .
H20J H 0.045593 0.315519 0.400191 0.137 Uiso 1 1 calc GR . . . .
H20K H 0.031546 0.343759 0.367458 0.137 Uiso 1 1 calc GR . . . .
H20L H 0.053231 0.349483 0.369668 0.137 Uiso 1 1 calc GR . . . .
C210 C 0.05053(13) 0.2131(5) 0.3857(2) 0.085(4) Uani 1 1 d D . . . .
H21A H 0.062775 0.227476 0.397435 0.128 Uiso 1 1 calc R . . . .
H21B H 0.042255 0.213281 0.402086 0.128 Uiso 1 1 calc R . . . .
H21C H 0.051337 0.169454 0.376836 0.128 Uiso 1 1 calc R . . . .
C211 C 0.08684(13) 0.4410(4) 0.2160(2) 0.054(2) Uani 1 1 d . . . . .
C212 C 0.06842(14) 0.4456(5) 0.2085(2) 0.066(3) Uani 1 1 d . . . . .
H212 H 0.062032 0.438400 0.185472 0.079 Uiso 1 1 calc R . . . .
C213 C 0.05887(12) 0.4599(4) 0.2326(3) 0.063(3) Uani 1 1 d . . . . .
H213 H 0.045816 0.459041 0.227330 0.076 Uiso 1 1 calc R . . . .
C214 C 0.06829(13) 0.4763(5) 0.2658(2) 0.068(3) Uani 1 1 d . . . . .
C215 C 0.08656(12) 0.4721(5) 0.2726(2) 0.064(3) Uani 1 1 d . . . . .
H215 H 0.093022 0.478787 0.295600 0.076 Uiso 1 1 calc DR . . . .
C216 C 0.09637(12) 0.4586(5) 0.2480(2) 0.062(2) Uani 1 1 d . . . . .
H216 H 0.109407 0.461302 0.252855 0.074 Uiso 1 1 calc R . . . .
C217 C 0.05749(15) 0.4950(5) 0.2935(3) 0.074(3) Uani 1 1 d . . . . .
C218 C 0.05509(16) 0.5674(5) 0.2935(3) 0.087(3) Uani 1 1 d . . . . .
H21D H 0.067024 0.588251 0.294547 0.131 Uiso 1 1 calc GR . . . .
H21E H 0.050144 0.580203 0.313656 0.131 Uiso 1 1 calc GR . . . .
H21F H 0.046565 0.580635 0.272393 0.131 Uiso 1 1 calc GR . . . .
C219 C 0.03909(14) 0.4592(5) 0.2871(3) 0.078(3) Uani 1 1 d . . . . .
H21G H 0.032039 0.470030 0.264035 0.118 Uiso 1 1 calc GR . . . .
H21H H 0.032122 0.471996 0.304484 0.118 Uiso 1 1 calc GR . . . .
H21I H 0.041345 0.412813 0.288529 0.118 Uiso 1 1 calc GR . . . .
C220 C 0.06806(14) 0.4757(6) 0.3276(2) 0.080(3) Uani 1 1 d . . . . .
H22A H 0.072846 0.432084 0.326272 0.121 Uiso 1 1 calc GR . . . .
H22B H 0.060033 0.476573 0.344453 0.121 Uiso 1 1 calc GR . . . .
H22C H 0.078318 0.505545 0.334929 0.121 Uiso 1 1 calc DGR . . . .
C221 C 0.16343(15) 0.4633(5) 0.2748(3) 0.072(3) Uani 1 1 d . . . . .
C222 C 0.14883(14) 0.4989(5) 0.2858(3) 0.070(3) Uani 1 1 d . . . . .
H222 H 0.138604 0.515719 0.269854 0.084 Uiso 1 1 calc R . . . .
C223 C 0.15081(14) 0.5068(4) 0.3211(2) 0.062(3) Uani 1 1 d . . . . .
H223 H 0.141399 0.528633 0.329539 0.075 Uiso 1 1 calc R . . . .
C224 C 0.16556(14) 0.4848(5) 0.3441(2) 0.060(2) Uani 1 1 d . . . . .
C225 C 0.17907(13) 0.4515(4) 0.3334(3) 0.063(3) Uani 1 1 d . . . . .
H225 H 0.189100 0.434774 0.349790 0.075 Uiso 1 1 calc R . . . .
C226 C 0.17822(12) 0.4420(5) 0.2981(3) 0.066(3) Uani 1 1 d . . . . .
H226 H 0.187963 0.420522 0.290545 0.080 Uiso 1 1 calc R . . . .
C227 C 0.16748(13) 0.4991(3) 0.3840(3) 0.067(3) Uani 1 1 d D . . . .
C228 C 0.17065(13) 0.5681(3) 0.3922(2) 0.057(2) Uani 1 1 d D . . . .
H22D H 0.167839 0.593280 0.370863 0.085 Uiso 1 1 calc GR . . . .
H22E H 0.183540 0.574671 0.403457 0.085 Uiso 1 1 calc GR . . . .
H22F H 0.162682 0.581909 0.407732 0.085 Uiso 1 1 calc GR . . . .
C229 C 0.18163(15) 0.4559(5) 0.4032(3) 0.085(3) Uani 1 1 d . . . . .
H22G H 0.178653 0.411338 0.396122 0.128 Uiso 1 1 calc GR . . . .
H22H H 0.182025 0.460236 0.428006 0.128 Uiso 1 1 calc GR . . . .
H22I H 0.193636 0.467263 0.398316 0.128 Uiso 1 1 calc GR . . . .
C230 C 0.14941(15) 0.4746(5) 0.3917(3) 0.088(4) Uani 1 1 d . . . . .
H23A H 0.141653 0.457949 0.370517 0.132 Uiso 1 1 calc GR . . . .
H23B H 0.143045 0.509884 0.400768 0.132 Uiso 1 1 calc GR . . . .
H23C H 0.151937 0.440104 0.408948 0.132 Uiso 1 1 calc GR . . . .
C231 C 0.20711(11) 0.2431(4) 0.2489(2) 0.047(2) Uani 1 1 d . . . . .
C232 C 0.22136(12) 0.2088(5) 0.2410(3) 0.067(3) Uani 1 1 d . . . . .
H232 H 0.220557 0.191951 0.218422 0.080 Uiso 1 1 calc R . . . .
C233 C 0.23683(13) 0.1990(5) 0.2660(3) 0.068(3) Uani 1 1 d . . . . .
H233 H 0.247126 0.177809 0.260216 0.082 Uiso 1 1 calc R . . . .
C234 C 0.23763(13) 0.2195(5) 0.2995(2) 0.062(3) Uani 1 1 d . . . . .
C235 C 0.22321(11) 0.2506(5) 0.3081(2) 0.060(3) Uani 1 1 d . . . . .
H235 H 0.223563 0.262539 0.331423 0.072 Uiso 1 1 calc R . . . .
C236 C 0.20762(12) 0.2652(4) 0.2822(3) 0.056(2) Uani 1 1 d . . . . .
H236 H 0.197734 0.289561 0.287468 0.067 Uiso 1 1 calc R . . . .
C237 C 0.25436(13) 0.2052(5) 0.3280(2) 0.060(2) Uani 1 1 d . . . . .
C238 C 0.26786(14) 0.2611(5) 0.3305(3) 0.081(3) Uani 1 1 d . . . . .
H23D H 0.261921 0.300594 0.336120 0.121 Uiso 1 1 calc R . . . .
H23E H 0.278688 0.252132 0.348574 0.121 Uiso 1 1 calc R . . . .
H23F H 0.271633 0.266437 0.308320 0.121 Uiso 1 1 calc R . . . .
C239 C 0.26411(12) 0.1453(4) 0.3192(2) 0.059(2) Uani 1 1 d . . . . .
H23G H 0.254987 0.113495 0.308437 0.088 Uiso 1 1 calc GR . . . .
H23H H 0.271562 0.127165 0.340386 0.088 Uiso 1 1 calc GR . . . .
H23I H 0.272079 0.156416 0.303203 0.088 Uiso 1 1 calc GR . . . .
C240 C 0.24851(15) 0.1966(6) 0.3623(2) 0.080(3) Uani 1 1 d . . . . .
H24A H 0.242231 0.235498 0.367661 0.119 Uiso 1 1 calc R . . . .
H24B H 0.240139 0.159789 0.360793 0.119 Uiso 1 1 calc R . . . .
H24C H 0.259382 0.188806 0.380471 0.119 Uiso 1 1 calc R . . . .
S1 S 0.18798(3) -0.04475(11) 0.22715(6) 0.0515(5) Uani 1 1 d . . . . .
S2 S 0.16370(3) -0.23540(11) 0.18465(6) 0.0560(6) Uani 1 1 d . . . . .
S3 S 0.10061(3) -0.20566(11) 0.16124(6) 0.0534(5) Uani 1 1 d . . . . .
S4 S 0.16445(3) -0.07073(11) 0.12589(5) 0.0508(5) Uani 1 1 d . . . . .
S5 S 0.19824(3) 0.11682(11) 0.15452(5) 0.0509(5) Uani 1 1 d . . . . .
S6 S 0.15717(3) 0.27909(11) 0.11694(5) 0.0511(5) Uani 1 1 d . . . . .
S7 S 0.14829(3) -0.06438(11) 0.28175(5) 0.0494(5) Uani 1 1 d . . . . .
S8 S 0.19105(3) 0.09943(11) 0.29186(5) 0.0494(5) Uani 1 1 d . . . . .
S9 S 0.15629(3) 0.28258(11) 0.28215(5) 0.0503(5) Uani 1 1 d . . . . .
S10 S 0.10626(3) -0.05268(11) 0.08304(5) 0.0487(5) Uani 1 1 d . . . . .
S11 S 0.06060(3) -0.02331(10) 0.14529(6) 0.0488(5) Uani 1 1 d . . . . .
S12 S 0.09062(3) -0.04309(10) 0.25857(5) 0.0493(5) Uani 1 1 d . . . . .
S13 S 0.16646(3) 0.12458(11) 0.04156(6) 0.0542(6) Uani 1 1 d . . . . .
S14 S 0.10604(3) 0.13563(11) -0.01235(6) 0.0537(5) Uani 1 1 d . . . . .
S15 S 0.07318(3) 0.09648(11) 0.07275(6) 0.0535(6) Uani 1 1 d . . . . .
S16 S 0.06318(3) 0.12540(10) 0.23009(5) 0.0481(5) Uani 1 1 d . . . . .
S17 S 0.08585(3) 0.06781(12) 0.34250(6) 0.0550(6) Uani 1 1 d . . . . .
S18 S 0.14886(3) 0.08779(12) 0.36056(6) 0.0569(6) Uani 1 1 d . . . . .
S19 S 0.10096(3) 0.25800(10) 0.07599(5) 0.0492(5) Uani 1 1 d . . . . .
S20 S 0.06186(3) 0.24273(11) 0.15233(6) 0.0534(5) Uani 1 1 d . . . . .
S21 S 0.09800(3) 0.26934(11) 0.26037(6) 0.0517(5) Uani 1 1 d . . . . .
S22 S 0.09983(3) 0.42156(12) 0.18125(6) 0.0629(6) Uani 1 1 d . . . . .
S23 S 0.16171(3) 0.45032(11) 0.22888(6) 0.0564(6) Uani 1 1 d . . . . .
S24 S 0.18843(3) 0.25825(11) 0.21161(6) 0.0519(5) Uani 1 1 d . . . . .
Ag1 Ag 0.11018(2) -0.09460(2) 0.17289(2) 0.04549(17) Uani 0.445(3) 1 d . . P A
31
Ag11 Ag 0.13218(2) -0.21548(2) 0.17383(2) 0.05717(17) Uani 0.140(3) 1 d . . P A
33
Ag12 Ag 0.17399(2) -0.13430(2) 0.20293(2) 0.05723(18) Uani 0.263(3) 1 d . . P A
35
Ag6 Ag 0.07653(2) 0.09172(2) 0.28414(2) 0.05635(18) Uani 0.267(3) 1 d . . P B
37
Ag5 Ag 0.11744(2) 0.07788(2) 0.34941(2) 0.05429(16) Uani 0.119(3) 1 d . . P B
39
Ag2 Ag 0.14031(2) 0.09954(2) 0.29832(2) 0.04790(18) Uani 0.446(3) 1 d . . P B
41
Ag7 Ag 0.13066(2) 0.43150(2) 0.20559(2) 0.05923(17) Uani 0.138(3) 1 d . . P C
43
Ag8 Ag 0.17329(2) 0.35003(2) 0.22159(2) 0.05691(18) Uani 0.262(3) 1 d . . P C
45
Ag3 Ag 0.11039(2) 0.31165(2) 0.17971(2) 0.04916(18) Uani 0.441(3) 1 d . . P C
47
Ag4 Ag 0.15170(2) 0.11316(2) 0.09238(2) 0.04675(17) Uani 0.447(3) 1 d . . P D
49
Ag9 Ag 0.13552(2) 0.12587(2) 0.01775(2) 0.05719(17) Uani 0.132(3) 1 d . . P D
51
Ag10 Ag 0.09095(2) 0.12364(2) 0.03438(2) 0.05907(19) Uani 0.270(3) 1 d . . P D
53


_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
AU2z Au13 2.8495(6) . ?
AU2z Au14 3.0070(5) . ?
AU2z Au15 2.7703(5) . ?
AU6z Au15 3.3217(5) . ?
AU2z Au16 2.7697(5) . ?
AU1z Au17 3.0436(5) . ?
AU3z Au19 2.8623(5) . ?
AU1z Au20 2.8428(5) . ?
AU3z Au22 3.0658(6) . ?
AU4z Au23 2.7728(5) . ?
AU4z Au24 2.7804(6) . ?
AU10z Au24 3.3714(6) . ?
AU4z Au25 2.9958(6) . ?
AU4z Au26 2.8651(5) . ?
AU1z Au27 2.7852(5) . ?
AU4z Au28 2.7358(5) . ?
AU3z Au29 2.7652(5) . ?
AU1z Au32 2.7596(5) . ?
AU2z Au33 2.7273(5) . ?
AU3z Au34 2.7716(5) . ?
AU1z Au35 2.7478(5) . ?
AU3z Au36 2.7591(5) . ?
AU12z S1 2.250(2) . ?
AU12z S2 2.303(2) . ?
AU11z S2 2.330(2) . ?
AU11z S3 2.306(2) . ?
AU1z S3 2.433(2) . ?
AU9z S13 2.300(2) . ?
AU4z S13 2.491(2) . ?
AU10z S14 2.364(2) . ?
AU9z S14 2.279(2) . ?
AU10z S15 2.278(2) . ?
AU6z S16 2.277(2) . ?
AU6z S17 2.326(2) . ?
AU5z S17 2.317(2) . ?
AU2z S18 2.428(2) . ?
AU5z S18 2.295(2) . ?
AU3z S22 2.422(3) . ?
AU7z S22 2.306(2) . ?
AU7z S23 2.336(2) . ?
AU8z S23 2.297(2) . ?
AU8z S24 2.291(2) . ?
Au13 Au30 3.1189(4) . ?
Au13 Au32 3.3110(5) . ?
Au13 Au33 3.3145(5) . ?
Au13 S7 2.324(2) . ?
Au13 S8 2.299(2) . ?
Au13 Ag2 2.8495(6) . ?
Au14 Au31 3.0370(4) . ?
Au14 Au33 3.3072(4) . ?
Au14 Au34 3.3172(5) . ?
Au14 S8 2.315(2) . ?
Au14 S9 2.285(2) . ?
Au14 Ag2 3.0070(5) . ?
Au15 Au16 2.7146(5) . ?
Au15 Au17 3.3054(5) . ?
Au15 Au18 2.9745(4) . ?
Au15 Au32 2.8797(5) . ?
Au15 Au33 2.8016(4) . ?
Au15 Au35 3.0334(4) . ?
Au15 S12 2.384(2) . ?
Au15 Ag6 3.3217(5) . ?
Au15 Ag2 2.7703(5) . ?
Au16 Au18 3.0469(4) . ?
Au16 Au19 3.3283(5) . ?
Au16 Au33 2.7693(4) . ?
Au16 Au34 2.8819(5) . ?
Au16 Au36 3.0573(4) . ?
Au16 S21 2.382(2) . ?
Au16 Ag2 2.7697(5) . ?
Au17 Au18 3.0151(5) . ?
Au17 Au20 3.3769(5) . ?
Au17 Au35 3.2907(4) . ?
Au17 S11 2.307(2) . ?
Au17 S12 2.319(2) . ?
Au17 Ag1 3.0436(5) . ?
Au18 Au19 3.1338(5) . ?
Au18 Au21 2.7629(4) . ?
Au18 Au35 2.7471(5) . ?
Au18 Au36 2.7548(4) . ?
Au18 S16 2.376(2) . ?
Au19 Au36 3.2421(5) . ?
Au19 S20 2.260(2) . ?
Au19 S21 2.338(2) . ?
Au19 Ag3 2.8623(5) . ?
Au20 Au21 3.0542(5) . ?
Au20 Au23 3.3068(5) . ?
Au20 Au35 3.1579(4) . ?
Au20 S10 2.328(2) . ?
Au20 S11 2.312(2) . ?
Au20 Ag1 2.8428(5) . ?
Au21 Au22 2.9843(5) . ?
Au21 Au23 3.0372(5) . ?
Au21 Au24 2.9864(4) . ?
Au21 Au35 2.7506(4) . ?
Au21 Au36 2.7485(4) . ?
Au21 S15 2.343(2) . ?
Au22 Au24 3.3072(5) . ?
Au22 Au36 3.2632(4) . ?
Au22 S19 2.324(2) . ?
Au22 S20 2.307(2) . ?
Au22 Ag3 3.0658(6) . ?
Au23 Au24 2.7141(5) . ?
Au23 Au27 2.8928(5) . ?
Au23 Au28 2.7814(4) . ?
Au23 Au35 3.1100(4) . ?
Au23 S10 2.379(2) . ?
Au23 Ag4 2.7728(5) . ?
Au24 Au28 2.7840(4) . ?
Au24 Au29 2.8580(5) . ?
Au24 Au36 3.0827(4) . ?
Au24 S19 2.381(2) . ?
Au24 Ag4 2.7804(6) . ?
Au24 Ag10 3.3714(6) . ?
Au25 Au27 3.3088(5) . ?
Au25 Au28 3.2654(5) . ?
Au25 Au30 2.9798(4) . ?
Au25 S4 2.341(2) . ?
Au25 S5 2.335(2) . ?
Au25 Ag4 2.9958(6) . ?
Au26 Au28 3.3040(4) . ?
Au26 Au29 3.3104(5) . ?
Au26 Au31 3.1184(4) . ?
Au26 S5 2.286(2) . ?
Au26 S6 2.305(2) . ?
Au26 Ag4 2.8651(5) . ?
Au27 Au28 3.0073(5) . ?
Au27 Au30 2.9799(4) . ?
Au27 Au32 2.7256(4) . ?
Au27 Au35 2.7914(5) . ?
Au27 S4 2.435(2) . ?
Au27 Ag1 2.7852(5) . ?
Au28 Au29 3.0540(5) . ?
Au28 Au30 2.7574(4) . ?
Au28 Au31 2.7617(4) . ?
Au28 Au33 2.9406(4) . ?
Au28 Au35 2.9523(4) . ?
Au28 Au36 2.9742(5) . ?
Au28 Ag4 2.7358(5) . ?
Au29 Au31 3.0140(5) . ?
Au29 Au34 2.7287(4) . ?
Au29 Au36 2.7510(4) . ?
Au29 S6 2.366(2) . ?
Au29 Ag3 2.7652(5) . ?
Au30 Au31 2.7594(5) . ?
Au30 Au32 3.0199(4) . ?
Au30 Au33 2.7563(4) . ?
Au30 S1 2.368(2) . ?
Au31 Au33 2.7582(4) . ?
Au31 Au34 2.9700(5) . ?
Au31 S24 2.327(2) . ?
Au32 Au33 3.0374(4) . ?
Au32 Au35 2.7682(4) . ?
Au32 S7 2.350(2) . ?
Au32 Ag1 2.7596(5) . ?
Au33 Au34 3.0359(5) . ?
Au33 Au35 2.9358(4) . ?
Au33 Au36 2.9355(4) . ?
Au33 Ag2 2.7273(5) . ?
Au34 Au36 2.7926(4) . ?
Au34 S9 2.405(2) . ?
Au34 Ag3 2.7716(5) . ?
Au35 Au36 2.9668(4) . ?
Au35 Ag1 2.7478(5) . ?
Au36 Ag3 2.7591(5) . ?
C1 C2 1.357(12) . ?
C1 C6 1.396(11) . ?
C1 S1 1.853(10) . ?
C2 H2 0.9500 . ?
C2 C3 1.409(12) . ?
C3 H3 0.9500 . ?
C3 C4 1.377(13) . ?
C4 C5 1.350(12) . ?
C4 C7 1.545(12) . ?
C5 H5 0.9500 . ?
C5 C6 1.446(12) . ?
C6 H6 0.9500 . ?
C7 C8 1.470(13) . ?
C7 C9 1.477(13) . ?
C7 C10 1.495(15) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 C12 1.376(13) . ?
C11 C16 1.388(12) . ?
C11 S2 1.822(9) . ?
C12 H12 0.9500 . ?
C12 C13 1.429(12) . ?
C13 H13 0.9500 . ?
C13 C14 1.377(12) . ?
C14 C15 1.329(13) . ?
C14 C17 1.562(14) . ?
C15 H15 0.9500 . ?
C15 C16 1.363(13) . ?
C16 H16 0.9500 . ?
C17 C18 1.516(14) . ?
C17 C19 1.554(15) . ?
C17 C20 1.451(13) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 C22 1.347(13) . ?
C21 C26 1.396(13) . ?
C21 S3 1.804(10) . ?
C22 H22 0.9500 . ?
C22 C23 1.409(14) . ?
C23 H23 0.9500 . ?
C23 C24 1.356(13) . ?
C24 C25 1.335(12) . ?
C24 C27 1.501(13) . ?
C25 H25 0.9500 . ?
C25 C26 1.440(11) . ?
C26 H26 0.9500 . ?
C27 C28 1.581(14) . ?
C27 C29 1.450(13) . ?
C27 C30 1.458(13) . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 C32 1.418(12) . ?
C31 C36 1.393(11) . ?
C31 S4 1.788(9) . ?
C32 H32 0.9500 . ?
C32 C33 1.366(12) . ?
C33 H33 0.9500 . ?
C33 C34 1.384(13) . ?
C34 C35 1.468(13) . ?
C34 C37 1.491(13) . ?
C35 H35 0.9500 . ?
C35 C36 1.401(11) . ?
C36 H36 0.9500 . ?
C37 C38 1.493(13) . ?
C37 C39 1.582(13) . ?
C37 C40 1.491(12) . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 C42 1.385(11) . ?
C41 C46 1.457(13) . ?
C41 S5 1.819(9) . ?
C42 H42 0.9500 . ?
C42 C43 1.389(12) . ?
C43 H43 0.9500 . ?
C43 C44 1.375(12) . ?
C44 C45 1.329(12) . ?
C44 C47 1.524(13) . ?
C45 H45 0.9500 . ?
C45 C46 1.480(13) . ?
C46 H46 0.9500 . ?
C47 C48 1.533(16) . ?
C47 C49 1.593(14) . ?
C47 C50 1.512(14) . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C49 H49A 0.9800 . ?
C49 H49B 0.9800 . ?
C49 H49C 0.9800 . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
C51 C52 1.338(13) . ?
C51 C56 1.440(13) . ?
C51 S6 1.863(9) . ?
C52 H52 0.9500 . ?
C52 C53 1.308(13) . ?
C53 H53 0.9500 . ?
C53 C54 1.381(14) . ?
C54 C55 1.390(14) . ?
C54 C57 1.537(13) . ?
C55 H55 0.9500 . ?
C55 C56 1.510(13) . ?
C56 H56 0.9500 . ?
C57 C58 1.578(14) . ?
C57 C59 1.475(13) . ?
C57 C60 1.475(13) . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?
C59 H59A 0.9800 . ?
C59 H59B 0.9800 . ?
C59 H59C 0.9800 . ?
C60 H60A 0.9800 . ?
C60 H60B 0.9800 . ?
C60 H60C 0.9800 . ?
C61 C62 1.408(13) . ?
C61 C66 1.351(12) . ?
C61 S7 1.841(9) . ?
C62 H62 0.9500 . ?
C62 C63 1.426(13) . ?
C63 H63 0.9500 . ?
C63 C64 1.369(14) . ?
C64 C65 1.372(14) . ?
C64 C67 1.594(13) . ?
C65 H65 0.9500 . ?
C65 C66 1.429(12) . ?
C66 H66 0.9500 . ?
C67 C68 1.538(13) . ?
C67 C69 1.518(14) . ?
C67 C70 1.522(15) . ?
C68 H68A 0.9800 . ?
C68 H68B 0.9800 . ?
C68 H68C 0.9800 . ?
C69 H69A 0.9800 . ?
C69 H69B 0.9800 . ?
C69 H69C 0.9800 . ?
C70 H70A 0.9800 . ?
C70 H70B 0.9800 . ?
C70 H70C 0.9800 . ?
C71 C72 1.435(13) . ?
C71 C76 1.356(12) . ?
C71 S8 1.762(8) . ?
C72 H72 0.9500 . ?
C72 C73 1.402(14) . ?
C73 H73 0.9500 . ?
C73 C74 1.371(14) . ?
C74 C75 1.377(13) . ?
C74 C77 1.585(14) . ?
C75 H75 0.9500 . ?
C75 C76 1.422(11) . ?
C76 H76 0.9500 . ?
C77 C78 1.485(15) . ?
C77 C79 1.498(14) . ?
C77 C80 1.581(15) . ?
C78 H78A 0.9800 . ?
C78 H78B 0.9800 . ?
C78 H78C 0.9800 . ?
C79 H79A 0.9800 . ?
C79 H79B 0.9800 . ?
C79 H79C 0.9800 . ?
C80 H80A 0.9800 . ?
C80 H80B 0.9800 . ?
C80 H80C 0.9800 . ?
C81 C82 1.339(11) . ?
C81 C86 1.349(13) . ?
C81 S9 1.878(10) . ?
C82 H82 0.9500 . ?
C82 C83 1.411(12) . ?
C83 H83 0.9500 . ?
C83 C84 1.417(13) . ?
C84 C85 1.410(13) . ?
C84 C87 1.474(13) . ?
C85 H85 0.9500 . ?
C85 C86 1.385(13) . ?
C86 H86 0.9500 . ?
C87 C88 1.4797(10) . ?
C87 C89 1.4797(10) . ?
C87 C90 1.543(14) . ?
C88 H88A 0.9800 . ?
C88 H88B 0.9800 . ?
C88 H88C 0.9800 . ?
C89 H89A 0.9800 . ?
C89 H89B 0.9800 . ?
C89 H89C 0.9800 . ?
C90 H90A 0.9800 . ?
C90 H90B 0.9800 . ?
C90 H90C 0.9800 . ?
C91 C92 1.432(12) . ?
C91 C96 1.380(12) . ?
C91 S10 1.833(8) . ?
C92 H92 0.9500 . ?
C92 C93 1.386(12) . ?
C93 H93 0.9500 . ?
C93 C94 1.410(13) . ?
C94 C95 1.381(13) . ?
C94 C97 1.536(13) . ?
C95 H95 0.9500 . ?
C95 C96 1.373(12) . ?
C96 H96 0.9500 . ?
C97 C98 1.546(13) . ?
C97 C99 1.484(14) . ?
C97 C100 1.538(14) . ?
C98 H98A 0.9800 . ?
C98 H98B 0.9800 . ?
C98 H98C 0.9800 . ?
C99 H99A 0.9800 . ?
C99 H99B 0.9800 . ?
C99 H99C 0.9800 . ?
C100 H10D 0.9800 . ?
C100 H10E 0.9800 . ?
C100 H10F 0.9800 . ?
C101 C102 1.421(13) . ?
C101 C106 1.343(12) . ?
C101 S11 1.782(9) . ?
C102 H102 0.9500 . ?
C102 C103 1.392(11) . ?
C103 H103 0.9500 . ?
C103 C104 1.407(12) . ?
C104 C105 1.328(12) . ?
C104 C107 1.512(13) . ?
C105 H105 0.9500 . ?
C105 C106 1.411(12) . ?
C106 H106 0.9500 . ?
C107 C108 1.474(15) . ?
C107 C109 1.490(15) . ?
C107 C110 1.498(15) . ?
C108 H10G 0.9800 . ?
C108 H10H 0.9800 . ?
C108 H10I 0.9800 . ?
C109 H10J 0.9800 . ?
C109 H10K 0.9800 . ?
C109 H10L 0.9800 . ?
C110 H11A 0.9800 . ?
C110 H11B 0.9800 . ?
C110 H11C 0.9800 . ?
C111 C112 1.378(11) . ?
C111 C116 1.389(12) . ?
C111 S12 1.834(8) . ?
C112 H112 0.9500 . ?
C112 C113 1.411(12) . ?
C113 H113 0.9500 . ?
C113 C114 1.415(13) . ?
C114 C115 1.408(14) . ?
C114 C117 1.525(13) . ?
C115 H115 0.9500 . ?
C115 C116 1.379(13) . ?
C116 H116 0.9500 . ?
C117 C118 1.467(14) . ?
C117 C119 1.481(15) . ?
C117 C120 1.462(15) . ?
C118 H11D 0.9800 . ?
C118 H11E 0.9800 . ?
C118 H11F 0.9800 . ?
C119 H11G 0.9800 . ?
C119 H11H 0.9800 . ?
C119 H11I 0.9800 . ?
C120 H12A 0.9800 . ?
C120 H12B 0.9800 . ?
C120 H12C 0.9800 . ?
C121 C122 1.391(12) . ?
C121 C126 1.388(11) . ?
C121 S13 1.861(9) . ?
C122 H122 0.9500 . ?
C122 C123 1.391(13) . ?
C123 H123 0.9500 . ?
C123 C124 1.401(12) . ?
C124 C125 1.375(13) . ?
C124 C127 1.496(14) . ?
C125 H125 0.9500 . ?
C125 C126 1.402(13) . ?
C126 H126 0.9500 . ?
C127 C128 1.462(13) . ?
C127 C129 1.461(14) . ?
C127 C130 1.590(15) . ?
C128 H12D 0.9800 . ?
C128 H12E 0.9800 . ?
C128 H12F 0.9800 . ?
C129 H12G 0.9800 . ?
C129 H12H 0.9800 . ?
C129 H12I 0.9800 . ?
C130 H13A 0.9800 . ?
C130 H13B 0.9800 . ?
C130 H13C 0.9800 . ?
C131 C132 1.459(13) . ?
C131 C136 1.355(12) . ?
C131 S14 1.813(9) . ?
C132 H132 0.9500 . ?
C132 C133 1.392(14) . ?
C133 H133 0.9500 . ?
C133 C134 1.329(15) . ?
C134 C135 1.438(14) . ?
C134 C137 1.551(14) . ?
C135 H135 0.9500 . ?
C135 C136 1.457(13) . ?
C136 H136 0.9500 . ?
C137 C138 1.489(13) . ?
C137 C139 1.466(13) . ?
C137 C140 1.531(14) . ?
C138 H13D 0.9800 . ?
C138 H13E 0.9800 . ?
C138 H13F 0.9800 . ?
C139 H13G 0.9800 . ?
C139 H13H 0.9800 . ?
C139 H13I 0.9800 . ?
C140 H14A 0.9800 . ?
C140 H14B 0.9800 . ?
C140 H14C 0.9800 . ?
C141 C142 1.346(13) . ?
C141 C146 1.406(12) . ?
C141 S15 1.802(10) . ?
C142 H142 0.9500 . ?
C142 C143 1.415(13) . ?
C143 H143 0.9500 . ?
C143 C144 1.384(13) . ?
C144 C145 1.381(13) . ?
C144 C147 1.510(13) . ?
C145 H145 0.9500 . ?
C145 C146 1.379(12) . ?
C146 H146 0.9500 . ?
C147 C148 1.4797(10) . ?
C147 C149 1.551(14) . ?
C147 C150 1.4797(10) . ?
C148 H14D 0.9800 . ?
C148 H14E 0.9800 . ?
C148 H14F 0.9800 . ?
C149 H14G 0.9800 . ?
C149 H14H 0.9800 . ?
C149 H14I 0.9800 . ?
C150 H15A 0.9800 . ?
C150 H15B 0.9800 . ?
C150 H15C 0.9800 . ?
C151 C152 1.345(12) . ?
C151 C156 1.346(12) . ?
C151 S16 1.853(8) . ?
C152 H152 0.9500 . ?
C152 C153 1.395(11) . ?
C153 H153 0.9500 . ?
C153 C154 1.333(13) . ?
C154 C155 1.425(12) . ?
C154 C157 1.541(14) . ?
C155 H155 0.9500 . ?
C155 C156 1.431(12) . ?
C156 H156 0.9500 . ?
C157 C158 1.466(14) . ?
C157 C159 1.504(14) . ?
C157 C160 1.490(14) . ?
C158 H15D 0.9800 . ?
C158 H15E 0.9800 . ?
C158 H15F 0.9800 . ?
C159 H15G 0.9800 . ?
C159 H15H 0.9800 . ?
C159 H15I 0.9800 . ?
C160 H16A 0.9800 . ?
C160 H16B 0.9800 . ?
C160 H16C 0.9800 . ?
C161 C162 1.366(11) . ?
C161 C166 1.403(12) . ?
C161 S17 1.837(9) . ?
C162 H162 0.9500 . ?
C162 C163 1.368(11) . ?
C163 H163 0.9500 . ?
C163 C164 1.425(13) . ?
C164 C165 1.366(13) . ?
C164 C167 1.529(14) . ?
C165 H165 0.9500 . ?
C165 C166 1.397(13) . ?
C166 H166 0.9500 . ?
C167 C168 1.460(16) . ?
C167 C169 1.525(14) . ?
C167 C170 1.527(15) . ?
C168 H16D 0.9800 . ?
C168 H16E 0.9800 . ?
C168 H16F 0.9800 . ?
C169 H16G 0.9800 . ?
C169 H16H 0.9800 . ?
C169 H16I 0.9800 . ?
C170 H17A 0.9800 . ?
C170 H17B 0.9800 . ?
C170 H17C 0.9800 . ?
C171 C172 1.380(11) . ?
C171 C176 1.401(11) . ?
C171 S18 1.899(9) . ?
C172 H172 0.9500 . ?
C172 C173 1.428(13) . ?
C173 H173 0.9500 . ?
C173 C174 1.367(13) . ?
C174 C175 1.380(12) . ?
C174 C177 1.446(13) . ?
C175 H175 0.9500 . ?
C175 C176 1.402(12) . ?
C176 H176 0.9500 . ?
C177 C178 1.606(15) . ?
C177 C179 1.4796(10) . ?
C177 C180 1.455(13) . ?
C178 H17D 0.9800 . ?
C178 H17E 0.9800 . ?
C178 H17F 0.9800 . ?
C179 H17G 0.9800 . ?
C179 H17H 0.9800 . ?
C179 H17I 0.9800 . ?
C180 H18D 0.9800 . ?
C180 H18E 0.9800 . ?
C180 H18F 0.9800 . ?
C181 C182 1.418(12) . ?
C181 C186 1.330(12) . ?
C181 S19 1.827(9) . ?
C182 H182 0.9500 . ?
C182 C183 1.387(12) . ?
C183 H183 0.9500 . ?
C183 C184 1.381(14) . ?
C184 C185 1.387(14) . ?
C184 C187 1.557(15) . ?
C185 H185 0.9500 . ?
C185 C186 1.329(12) . ?
C186 H186 0.9500 . ?
C187 C188 1.549(13) . ?
C187 C189 1.4798(10) . ?
C187 C190 1.467(14) . ?
C188 H18G 0.9800 . ?
C188 H18H 0.9800 . ?
C188 H18I 0.9800 . ?
C189 H18J 0.9800 . ?
C189 H18K 0.9800 . ?
C189 H18L 0.9800 . ?
C190 H19D 0.9800 . ?
C190 H19E 0.9800 . ?
C190 H19F 0.9800 . ?
C191 C192 1.370(12) . ?
C191 C196 1.417(12) . ?
C191 S20 1.832(9) . ?
C192 H192 0.9500 . ?
C192 C193 1.381(12) . ?
C193 H193 0.9500 . ?
C193 C194 1.408(12) . ?
C194 C195 1.380(14) . ?
C194 C197 1.544(14) . ?
C195 H195 0.9500 . ?
C195 C196 1.387(13) . ?
C196 H196 0.9500 . ?
C197 C198 1.5006(10) . ?
C197 C199 1.504(14) . ?
C197 C200 1.475(15) . ?
C198 H19G 0.9800 . ?
C198 H19H 0.9800 . ?
C198 H19I 0.9800 . ?
C199 H19J 0.9800 . ?
C199 H19K 0.9800 . ?
C199 H19L 0.9800 . ?
C200 H20D 0.9800 . ?
C200 H20E 0.9800 . ?
C200 H20F 0.9800 . ?
C201 C202 1.350(13) . ?
C201 C206 1.352(13) . ?
C201 S21 1.855(9) . ?
C202 H202 0.9500 . ?
C202 C203 1.344(13) . ?
C203 H203 0.9500 . ?
C203 C204 1.397(13) . ?
C204 C205 1.321(13) . ?
C204 C207 1.519(13) . ?
C205 H205 0.9500 . ?
C205 C206 1.423(12) . ?
C206 H206 0.9500 . ?
C207 C208 1.494(14) . ?
C207 C209 1.543(15) . ?
C207 C210 1.4797(10) . ?
C208 H20G 0.9800 . ?
C208 H20H 0.9800 . ?
C208 H20I 0.9800 . ?
C209 H20J 0.9800 . ?
C209 H20K 0.9800 . ?
C209 H20L 0.9800 . ?
C210 H21A 0.9800 . ?
C210 H21B 0.9800 . ?
C210 H21C 0.9800 . ?
C211 C212 1.344(12) . ?
C211 C216 1.368(12) . ?
C211 S22 1.879(9) . ?
C212 H212 0.9500 . ?
C212 C213 1.334(13) . ?
C213 H213 0.9500 . ?
C213 C214 1.398(12) . ?
C214 C215 1.332(12) . ?
C214 C217 1.535(14) . ?
C215 H215 0.9500 . ?
C215 C216 1.358(12) . ?
C216 H216 0.9500 . ?
C217 C218 1.516(15) . ?
C217 C219 1.532(14) . ?
C217 C220 1.474(13) . ?
C218 H21D 0.9800 . ?
C218 H21E 0.9800 . ?
C218 H21F 0.9800 . ?
C219 H21G 0.9800 . ?
C219 H21H 0.9800 . ?
C219 H21I 0.9800 . ?
C220 H22A 0.9800 . ?
C220 H22B 0.9800 . ?
C220 H22C 0.9800 . ?
C221 C222 1.452(15) . ?
C221 C226 1.358(13) . ?
C221 S23 1.816(10) . ?
C222 H222 0.9500 . ?
C222 C223 1.383(13) . ?
C223 H223 0.9500 . ?
C223 C224 1.354(13) . ?
C224 C225 1.357(13) . ?
C224 C227 1.585(12) . ?
C225 H225 0.9500 . ?
C225 C226 1.396(13) . ?
C226 H226 0.9500 . ?
C227 C228 1.4797(10) . ?
C227 C229 1.472(12) . ?
C227 C230 1.525(13) . ?
C228 H22D 0.9800 . ?
C228 H22E 0.9800 . ?
C228 H22F 0.9800 . ?
C229 H22G 0.9800 . ?
C229 H22H 0.9800 . ?
C229 H22I 0.9800 . ?
C230 H23A 0.9800 . ?
C230 H23B 0.9800 . ?
C230 H23C 0.9800 . ?
C231 C232 1.365(12) . ?
C231 C236 1.390(12) . ?
C231 S24 1.836(8) . ?
C232 H232 0.9500 . ?
C232 C233 1.370(13) . ?
C233 H233 0.9500 . ?
C233 C234 1.383(12) . ?
C234 C235 1.354(12) . ?
C234 C237 1.528(12) . ?
C235 H235 0.9500 . ?
C235 C236 1.414(12) . ?
C236 H236 0.9500 . ?
C237 C238 1.526(13) . ?
C237 C239 1.517(12) . ?
C237 C240 1.518(12) . ?
C238 H23D 0.9800 . ?
C238 H23E 0.9800 . ?
C238 H23F 0.9800 . ?
C239 H23G 0.9800 . ?
C239 H23H 0.9800 . ?
C239 H23I 0.9800 . ?
C240 H24A 0.9800 . ?
C240 H24B 0.9800 . ?
C240 H24C 0.9800 . ?
S1 Ag12 2.250(2) . ?
S2 Ag11 2.330(2) . ?
S2 Ag12 2.303(2) . ?
S3 Ag1 2.433(2) . ?
S3 Ag11 2.306(2) . ?
S13 Ag4 2.491(2) . ?
S13 Ag9 2.300(2) . ?
S14 Ag9 2.279(2) . ?
S14 Ag10 2.364(2) . ?
S15 Ag10 2.278(2) . ?
S16 Ag6 2.277(2) . ?
S17 Ag6 2.326(2) . ?
S17 Ag5 2.317(2) . ?
S18 Ag5 2.295(2) . ?
S18 Ag2 2.428(2) . ?
S22 Ag7 2.306(2) . ?
S22 Ag3 2.422(3) . ?
S23 Ag7 2.336(2) . ?
S23 Ag8 2.297(2) . ?
S24 Ag8 2.291(2) . ?

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
AG2z Au13 Au30 102.371(15) . . ?
AU2z Au13 Au30 102.371(15) . . ?
AU2z Au13 Au32 83.345(13) . . ?
AG2z Au13 Au32 83.345(13) . . ?
AG2z Au13 Au33 51.853(11) . . ?
AU2z Au13 Au33 51.853(11) . . ?
AG2z Au14 Au31 102.133(14) . . ?
AU2z Au14 Au31 102.133(14) . . ?
AU2z Au14 Au33 50.909(10) . . ?
AG2z Au14 Au33 50.909(10) . . ?
AU2z Au14 Au34 83.170(13) . . ?
AG2z Au14 Au34 83.170(13) . . ?
AU2z Au15 Au17 178.533(16) . . ?
AG2z Au15 Au17 178.533(16) . . ?
AU2z Au15 Au18 124.285(16) . . ?
AG2z Au15 Au18 124.285(16) . . ?
AU2z Au15 Au32 93.338(15) . . ?
AG2z Au15 Au32 93.338(15) . . ?
AU2z Au15 Au33 58.609(13) . . ?
AG2z Au15 Au33 58.609(13) . . ?
AU2z Au15 Au35 118.678(15) . . ?
AG2z Au15 Au35 118.678(15) . . ?
AG2z Au16 Au18 121.627(15) . . ?
Au30 Au13 Au32 55.928(9) . . ?
Au30 Au13 Au33 50.623(10) . . ?
Au32 Au13 Au33 54.572(9) . . ?
S7 Au13 Au2 85.87(6) . . ?
S7 Au13 Au30 98.96(5) . . ?
S7 Au13 Au32 45.23(5) . . ?
S7 Au13 Au33 91.21(5) . . ?
S7 Au13 Ag2 85.87(6) . . ?
S8 Au13 Au2 95.57(6) . . ?
S8 Au13 Au30 83.34(5) . . ?
S8 Au13 Au32 137.54(5) . . ?
S8 Au13 Au33 91.77(6) . . ?
S8 Au13 S7 176.97(8) . . ?
S8 Au13 Ag2 95.57(6) . . ?
Au31 Au14 Au33 51.325(9) . . ?
Au31 Au14 Au34 55.522(10) . . ?
Au33 Au14 Au34 54.553(10) . . ?
S8 Au14 Au2 91.14(5) . . ?
S8 Au14 Au31 87.61(5) . . ?
S8 Au14 Au33 91.67(5) . . ?
S8 Au14 Au34 140.00(5) . . ?
S8 Au14 Ag2 91.14(5) . . ?
S9 Au14 Au2 99.91(6) . . ?
S9 Au14 Au31 93.70(5) . . ?
S9 Au14 Au33 98.22(6) . . ?
S9 Au14 Au34 46.46(5) . . ?
S9 Au14 S8 168.31(8) . . ?
S9 Au14 Ag2 99.91(6) . . ?
Au16 Au15 Au2 60.647(13) . . ?
Au16 Au15 Au6 71.037(13) . . ?
Au16 Au15 Au17 120.598(14) . . ?
AU2z Au16 Au18 121.627(15) . . ?
AG2z Au16 Au19 179.679(19) . . ?
AU2z Au16 Au19 179.679(19) . . ?
AG2z Au16 Au33 58.995(13) . . ?
AU2z Au16 Au33 58.995(13) . . ?
AG2z Au16 Au34 96.102(15) . . ?
AU2z Au16 Au34 96.102(15) . . ?
AU2z Au16 Au36 119.240(15) . . ?
AG2z Au16 Au36 119.240(15) . . ?
AG1z Au17 Au15 82.646(12) . . ?
AU1z Au17 Au15 82.646(12) . . ?
AG1z Au17 Au20 52.247(11) . . ?
AU1z Au17 Au20 52.247(11) . . ?
AG1z Au17 Au35 51.235(11) . . ?
AU1z Au17 Au35 51.235(11) . . ?
AG3z Au19 Au16 84.838(13) . . ?
AU3z Au19 Au16 84.838(13) . . ?
AU3z Au19 Au18 104.377(15) . . ?
AG3z Au19 Au18 104.377(15) . . ?
AU3z Au19 Au36 53.301(12) . . ?
AG3z Au19 Au36 53.301(12) . . ?
AG1z Au20 Au17 57.833(12) . . ?
AU1z Au20 Au17 57.833(12) . . ?
AG1z Au20 Au21 106.686(14) . . ?
AU1z Au20 Au21 106.686(14) . . ?
AU1z Au20 Au23 86.523(13) . . ?
AG1z Au20 Au23 86.523(13) . . ?
AG1z Au20 Au35 54.197(11) . . ?
AU1z Au20 Au35 54.197(11) . . ?
AG3z Au22 Au24 84.004(13) . . ?
Au16 Au15 Au18 64.576(12) . . ?
Au16 Au15 Au32 124.779(15) . . ?
Au16 Au15 Au33 60.243(11) . . ?
Au16 Au15 Au35 92.990(12) . . ?
Au16 Au15 Ag6 71.037(13) . . ?
Au16 Au15 Ag2 60.647(13) . . ?
Au17 Au15 Au6 80.474(12) . . ?
Au17 Au15 Ag6 80.474(12) . . ?
Au18 Au15 Au6 71.093(12) . . ?
Au18 Au15 Au17 57.095(10) . . ?
Au18 Au15 Au35 54.409(10) . . ?
Au18 Au15 Ag6 71.093(12) . . ?
Au32 Au15 Au6 163.556(15) . . ?
Au32 Au15 Au17 86.490(12) . . ?
Au32 Au15 Au18 109.903(13) . . ?
Au32 Au15 Au35 55.756(10) . . ?
Au32 Au15 Ag6 163.556(15) . . ?
Au33 Au15 Au6 131.257(15) . . ?
Au33 Au15 Au17 122.520(13) . . ?
Au33 Au15 Au18 86.290(12) . . ?
Au33 Au15 Au32 64.620(11) . . ?
Au33 Au15 Au35 60.260(10) . . ?
Au33 Au15 Ag6 131.257(15) . . ?
Au35 Au15 Au6 124.382(14) . . ?
Au35 Au15 Au17 62.375(10) . . ?
Au35 Au15 Ag6 124.382(14) . . ?
S12 Au15 Au2 134.08(5) . . ?
S12 Au15 Au6 66.57(6) . . ?
S12 Au15 Au16 136.79(6) . . ?
S12 Au15 Au17 44.54(5) . . ?
S12 Au15 Au18 93.56(5) . . ?
S12 Au15 Au32 97.08(6) . . ?
S12 Au15 Au33 160.19(6) . . ?
AU3z Au22 Au24 84.004(13) . . ?
AG3z Au22 Au36 51.575(11) . . ?
S12 Au15 Au35 103.88(5) . . ?
S12 Au15 Ag6 66.57(6) . . ?
S12 Au15 Ag2 134.08(5) . . ?
AU3z Au22 Au36 51.575(11) . . ?
AU4z Au23 Au20 177.586(16) . . ?
AG4z Au23 Au20 177.586(16) . . ?
AU4z Au23 Au21 122.171(15) . . ?
AG4z Au23 Au21 122.171(15) . . ?
AU4z Au23 Au27 95.193(15) . . ?
AG4z Au23 Au27 95.193(15) . . ?
AG4z Au23 Au28 59.019(12) . . ?
AU4z Au23 Au28 59.019(12) . . ?
AU4z Au23 Au35 118.813(14) . . ?
AG4z Au23 Au35 118.813(14) . . ?
AG4z Au24 Au21 123.771(16) . . ?
AU4z Au24 Au21 123.771(16) . . ?
AU4z Au24 Au22 179.237(17) . . ?
AG4z Au24 Au22 179.237(17) . . ?
AU4z Au24 Au28 58.901(13) . . ?
AG4z Au24 Au28 58.901(13) . . ?
AG4z Au24 Au29 95.527(15) . . ?
AU4z Au24 Au29 95.527(15) . . ?
AU4z Au24 Au36 119.427(15) . . ?
AG4z Au24 Au36 119.427(15) . . ?
AU4z Au25 Au27 83.005(13) . . ?
AG4z Au25 Au27 83.005(13) . . ?
AG4z Au25 Au28 51.600(11) . . ?
AU4z Au25 Au28 51.600(11) . . ?
AU4z Au26 Au28 52.059(11) . . ?
AG4z Au26 Au28 52.059(11) . . ?
AU4z Au26 Au29 84.743(13) . . ?
AG4z Au26 Au29 84.743(13) . . ?
AG4z Au26 Au31 102.728(14) . . ?
AU4z Au26 Au31 102.728(14) . . ?
AG1z Au27 Au23 96.235(15) . . ?
AU1z Au27 Au23 96.235(15) . . ?
AU1z Au27 Au25 177.439(17) . . ?
AG1z Au27 Au25 177.439(17) . . ?
AU1z Au27 Au28 120.040(15) . . ?
AG1z Au27 Au28 120.040(15) . . ?
AU1z Au27 Au30 123.257(15) . . ?
AG1z Au27 Au30 123.257(15) . . ?
AG1z Au27 Au35 59.040(12) . . ?
AU1z Au27 Au35 59.040(12) . . ?
AG4z Au28 Au23 60.334(12) . . ?
AU4z Au28 Au23 60.334(12) . . ?
AG4z Au28 Au24 60.486(13) . . ?
Au15 Au16 Au2 60.670(13) . . ?
Au15 Au16 Au18 61.846(11) . . ?
Au15 Au16 Au19 119.651(14) . . ?
Au15 Au16 Au33 61.434(12) . . ?
Au15 Au16 Au34 126.095(15) . . ?
Au15 Au16 Au36 91.740(12) . . ?
Au15 Au16 Ag2 60.670(13) . . ?
Au18 Au16 Au19 58.688(10) . . ?
Au18 Au16 Au36 53.652(10) . . ?
Au33 Au16 Au18 85.464(12) . . ?
Au33 Au16 Au19 121.102(14) . . ?
Au33 Au16 Au34 64.952(12) . . ?
Au33 Au16 Au36 60.265(11) . . ?
Au34 Au16 Au18 109.417(13) . . ?
Au34 Au16 Au19 83.701(12) . . ?
Au34 Au16 Au36 56.001(10) . . ?
Au36 Au16 Au19 60.850(10) . . ?
S21 Au16 Au2 135.11(5) . . ?
S21 Au16 Au15 149.57(6) . . ?
S21 Au16 Au18 100.66(5) . . ?
S21 Au16 Au19 44.62(5) . . ?
S21 Au16 Au33 146.43(6) . . ?
S21 Au16 Au34 82.05(6) . . ?
S21 Au16 Au36 96.85(5) . . ?
S21 Au16 Ag2 135.11(5) . . ?
Au15 Au17 Au20 111.229(12) . . ?
Au18 Au17 Au1 102.605(14) . . ?
Au18 Au17 Au15 55.919(10) . . ?
Au18 Au17 Au20 83.693(11) . . ?
Au18 Au17 Au35 51.425(10) . . ?
Au18 Au17 Ag1 102.605(14) . . ?
Au35 Au17 Au15 54.756(9) . . ?
Au35 Au17 Au20 56.520(9) . . ?
S11 Au17 Au1 93.01(5) . . ?
S11 Au17 Au15 139.18(6) . . ?
S11 Au17 Au18 86.08(6) . . ?
S11 Au17 Au20 43.08(5) . . ?
S11 Au17 Au35 91.27(6) . . ?
S11 Au17 S12 168.00(8) . . ?
S11 Au17 Ag1 93.01(5) . . ?
S12 Au17 Au1 98.70(6) . . ?
S12 Au17 Au15 46.14(5) . . ?
S12 Au17 Au18 93.86(5) . . ?
S12 Au17 Au20 148.86(6) . . ?
S12 Au17 Au35 98.09(5) . . ?
S12 Au17 Ag1 98.70(6) . . ?
Au15 Au18 Au16 53.578(11) . . ?
Au15 Au18 Au17 66.986(11) . . ?
Au15 Au18 Au19 117.881(14) . . ?
Au16 Au18 Au19 65.144(11) . . ?
Au17 Au18 Au16 119.527(13) . . ?
Au17 Au18 Au19 158.799(15) . . ?
Au21 Au18 Au15 123.542(15) . . ?
Au21 Au18 Au16 122.849(14) . . ?
Au21 Au18 Au17 97.163(13) . . ?
Au21 Au18 Au19 96.140(13) . . ?
Au35 Au18 Au15 63.888(11) . . ?
Au35 Au18 Au16 92.052(13) . . ?
Au35 Au18 Au17 69.473(12) . . ?
Au35 Au18 Au19 131.702(14) . . ?
Au35 Au18 Au21 59.895(12) . . ?
Au35 Au18 Au36 65.264(12) . . ?
Au36 Au18 Au15 92.742(13) . . ?
Au36 Au18 Au16 63.366(11) . . ?
Au36 Au18 Au17 134.737(16) . . ?
Au36 Au18 Au19 66.451(11) . . ?
Au36 Au18 Au21 59.753(11) . . ?
S16 Au18 Au15 95.61(5) . . ?
S16 Au18 Au16 86.77(5) . . ?
S16 Au18 Au17 88.90(5) . . ?
S16 Au18 Au19 70.34(5) . . ?
S16 Au18 Au21 139.62(5) . . ?
S16 Au18 Au35 154.38(5) . . ?
S16 Au18 Au36 134.69(6) . . ?
Au18 Au19 Au16 56.167(10) . . ?
Au18 Au19 Au36 51.162(9) . . ?
Au36 Au19 Au16 55.442(9) . . ?
S20 Au19 Au3 95.94(6) . . ?
S20 Au19 Au16 136.99(6) . . ?
S20 Au19 Au18 82.42(6) . . ?
S20 Au19 Au36 90.99(6) . . ?
S20 Au19 S21 175.92(8) . . ?
S20 Au19 Ag3 95.94(6) . . ?
S21 Au19 Au3 87.26(6) . . ?
S21 Au19 Au16 45.70(5) . . ?
S21 Au19 Au18 99.26(6) . . ?
S21 Au19 Au36 92.95(5) . . ?
S21 Au19 Ag3 87.26(6) . . ?
Au21 Au20 Au17 84.633(11) . . ?
Au21 Au20 Au23 56.875(10) . . ?
Au21 Au20 Au35 52.532(10) . . ?
Au23 Au20 Au17 117.799(12) . . ?
Au35 Au20 Au17 60.362(10) . . ?
Au35 Au20 Au23 57.456(9) . . ?
S10 Au20 Au1 88.14(6) . . ?
S10 Au20 Au17 145.18(5) . . ?
S10 Au20 Au21 100.01(5) . . ?
S10 Au20 Au23 46.01(5) . . ?
S10 Au20 Au35 95.12(5) . . ?
S10 Au20 Ag1 88.14(6) . . ?
S11 Au20 Au1 98.30(5) . . ?
S11 Au20 Au17 42.97(5) . . ?
S11 Au20 Au21 85.22(6) . . ?
S11 Au20 Au23 141.25(6) . . ?
S11 Au20 Au35 94.60(6) . . ?
S11 Au20 S10 170.24(8) . . ?
S11 Au20 Ag1 98.30(5) . . ?
Au18 Au21 Au20 94.403(12) . . ?
Au18 Au21 Au22 96.879(14) . . ?
Au18 Au21 Au23 124.376(14) . . ?
Au18 Au21 Au24 124.617(14) . . ?
Au22 Au21 Au20 159.760(15) . . ?
Au22 Au21 Au23 119.654(13) . . ?
Au22 Au21 Au24 67.271(12) . . ?
Au23 Au21 Au20 65.757(11) . . ?
Au24 Au21 Au20 118.766(14) . . ?
Au24 Au21 Au23 53.553(11) . . ?
Au35 Au21 Au18 59.768(11) . . ?
Au35 Au21 Au20 65.671(11) . . ?
Au35 Au21 Au22 134.548(15) . . ?
Au35 Au21 Au23 64.783(11) . . ?
Au35 Au21 Au24 93.333(13) . . ?
Au36 Au21 Au18 59.977(11) . . ?
Au36 Au21 Au20 130.969(14) . . ?
Au36 Au21 Au22 69.250(12) . . ?
Au36 Au21 Au23 93.638(13) . . ?
Au36 Au21 Au24 64.877(11) . . ?
Au36 Au21 Au35 65.300(11) . . ?
S15 Au21 Au18 141.25(6) . . ?
S15 Au21 Au20 73.55(6) . . ?
S15 Au21 Au22 87.21(6) . . ?
S15 Au21 Au23 84.78(6) . . ?
S15 Au21 Au24 92.56(6) . . ?
S15 Au21 Au35 136.21(6) . . ?
S15 Au21 Au36 151.96(6) . . ?
Au21 Au22 Au3 103.478(14) . . ?
Au21 Au22 Au24 56.395(10) . . ?
Au21 Au22 Au36 51.966(10) . . ?
Au21 Au22 Ag3 103.478(14) . . ?
Au36 Au22 Au24 55.958(10) . . ?
S19 Au22 Au3 100.58(6) . . ?
S19 Au22 Au21 93.70(5) . . ?
S19 Au22 Au24 46.03(5) . . ?
S19 Au22 Au36 99.43(5) . . ?
S19 Au22 Ag3 100.58(6) . . ?
S20 Au22 Au3 89.67(6) . . ?
S20 Au22 Au21 87.21(6) . . ?
S20 Au22 Au24 139.93(6) . . ?
S20 Au22 Au36 89.63(6) . . ?
S20 Au22 S19 169.18(8) . . ?
S20 Au22 Ag3 89.67(6) . . ?
Au21 Au23 Au20 57.369(10) . . ?
Au21 Au23 Au35 53.146(10) . . ?
Au24 Au23 Au4 60.883(13) . . ?
Au24 Au23 Au20 119.081(15) . . ?
Au24 Au23 Au21 62.266(12) . . ?
Au24 Au23 Au27 124.549(15) . . ?
Au24 Au23 Au28 60.860(12) . . ?
Au24 Au23 Au35 91.363(13) . . ?
Au24 Au23 Ag4 60.883(13) . . ?
Au27 Au23 Au20 82.883(12) . . ?
Au27 Au23 Au21 108.243(13) . . ?
Au27 Au23 Au35 55.280(10) . . ?
Au28 Au23 Au20 118.685(13) . . ?
Au28 Au23 Au21 84.915(12) . . ?
Au28 Au23 Au27 63.977(11) . . ?
Au28 Au23 Au35 59.839(10) . . ?
Au35 Au23 Au20 58.866(10) . . ?
S10 Au23 Au4 136.55(5) . . ?
S10 Au23 Au20 44.74(5) . . ?
S10 Au23 Au21 99.29(5) . . ?
S10 Au23 Au24 150.08(6) . . ?
AU4z Au28 Au24 60.486(13) . . ?
AG4z Au28 Au25 59.110(12) . . ?
AU4z Au28 Au25 59.110(12) . . ?
AU4z Au28 Au27 93.413(14) . . ?
AG4z Au28 Au27 93.413(14) . . ?
AG4z Au28 Au29 92.119(13) . . ?
AU4z Au28 Au29 92.119(13) . . ?
AU4z Au28 Au30 117.575(16) . . ?
AG4z Au28 Au30 117.575(16) . . ?
AG4z Au28 Au31 116.567(15) . . ?
AU4z Au28 Au31 116.567(15) . . ?
AG4z Au28 Au33 173.608(16) . . ?
AU4z Au28 Au33 173.608(16) . . ?
AG4z Au28 Au35 125.899(15) . . ?
AU4z Au28 Au35 125.899(15) . . ?
AU4z Au28 Au36 124.965(15) . . ?
AG4z Au28 Au36 124.965(15) . . ?
AU3z Au29 Au24 98.750(16) . . ?
AG3z Au29 Au24 98.750(16) . . ?
AU3z Au29 Au26 176.142(16) . . ?
AG3z Au29 Au26 176.142(16) . . ?
AG3z Au29 Au28 121.390(15) . . ?
AU3z Au29 Au28 121.390(15) . . ?
AU3z Au29 Au31 122.152(15) . . ?
AG3z Au29 Au31 122.152(15) . . ?
AU1z Au32 Au13 177.078(16) . . ?
AG1z Au32 Au13 177.078(16) . . ?
AU1z Au32 Au15 96.163(15) . . ?
AG1z Au32 Au15 96.163(15) . . ?
AU1z Au32 Au30 122.704(15) . . ?
AG1z Au32 Au30 122.704(15) . . ?
AG1z Au32 Au33 120.138(15) . . ?
AU1z Au32 Au33 120.138(15) . . ?
AU1z Au32 Au35 59.614(13) . . ?
AG1z Au32 Au35 59.614(13) . . ?
AG2z Au33 Au14 58.841(12) . . ?
AU2z Au33 Au14 58.841(12) . . ?
AG2z Au33 Au15 60.122(12) . . ?
AU2z Au33 Au15 60.122(12) . . ?
AG2z Au33 Au16 60.510(13) . . ?
AU2z Au33 Au16 60.510(13) . . ?
AG2z Au33 Au28 173.517(17) . . ?
AU2z Au33 Au28 173.517(17) . . ?
AG2z Au33 Au30 116.128(16) . . ?
AU2z Au33 Au30 116.128(16) . . ?
AG2z Au33 Au31 117.978(15) . . ?
AU2z Au33 Au31 117.978(15) . . ?
AU2z Au33 Au32 90.803(13) . . ?
AG2z Au33 Au32 90.803(13) . . ?
AG2z Au33 Au34 93.526(14) . . ?
AU2z Au33 Au34 93.526(14) . . ?
AG2z Au33 Au35 123.695(15) . . ?
AU2z Au33 Au35 123.695(15) . . ?
AG2z Au33 Au36 125.222(16) . . ?
AU2z Au33 Au36 125.222(16) . . ?
AG3z Au34 Au14 177.761(17) . . ?
AU3z Au34 Au14 177.761(17) . . ?
AG3z Au34 Au16 95.635(15) . . ?
AU3z Au34 Au16 95.635(15) . . ?
AG3z Au34 Au31 123.546(15) . . ?
AU3z Au34 Au31 123.546(15) . . ?
AG3z Au34 Au33 119.682(15) . . ?
AU3z Au34 Au33 119.682(15) . . ?
AU3z Au34 Au36 59.451(13) . . ?
AG3z Au34 Au36 59.451(13) . . ?
AG1z Au35 Au15 92.966(13) . . ?
AU1z Au35 Au15 92.966(13) . . ?
AU1z Au35 Au20 57.042(12) . . ?
AG1z Au35 Au20 57.042(12) . . ?
AG1z Au35 Au21 118.786(15) . . ?
AU1z Au35 Au21 118.786(15) . . ?
AU1z Au35 Au23 92.192(14) . . ?
AG1z Au35 Au23 92.192(14) . . ?
AU1z Au35 Au27 60.368(13) . . ?
AG1z Au35 Au27 60.368(13) . . ?
AG1z Au35 Au28 123.361(16) . . ?
AU1z Au35 Au28 123.361(16) . . ?
AG1z Au35 Au32 60.037(13) . . ?
AU1z Au35 Au32 60.037(13) . . ?
AG1z Au35 Au33 124.286(15) . . ?
AU1z Au35 Au33 124.286(15) . . ?
AG1z Au35 Au36 175.284(17) . . ?
AU1z Au35 Au36 175.284(17) . . ?
AU3z Au36 Au16 92.027(14) . . ?
AG3z Au36 Au16 92.027(14) . . ?
AG3z Au36 Au19 56.282(12) . . ?
AU3z Au36 Au19 56.282(12) . . ?
AU3z Au36 Au24 93.718(14) . . ?
AG3z Au36 Au24 93.718(14) . . ?
AG3z Au36 Au28 124.571(15) . . ?
AU3z Au36 Au28 124.571(15) . . ?
AG3z Au36 Au33 123.761(15) . . ?
AU3z Au36 Au33 123.761(15) . . ?
AU3z Au36 Au34 59.896(13) . . ?
AG3z Au36 Au34 59.896(13) . . ?
AG3z Au36 Au35 175.269(16) . . ?
AU3z Au36 Au35 175.269(16) . . ?
AU12z S1 Au30 106.01(9) . . ?
AG12z S1 Au30 106.01(9) . . ?
AU10z S15 Au21 109.61(9) . . ?
AG10z S15 Au21 109.61(9) . . ?
AG6z S16 Au18 104.16(8) . . ?
AU6z S16 Au18 104.16(8) . . ?
AU8z S24 Au31 107.05(9) . . ?
AG8z S24 Au31 107.05(9) . . ?
Au13 AU2z Au14 72.270(14) . . ?
Au13 AG2z Au14 72.270(14) . . ?
Au15 AG2z Au13 96.939(16) . . ?
Au15 AU2z Au13 96.939(16) . . ?
Au15 AU2z Au14 131.274(17) . . ?
Au15 AG2z Au14 131.274(17) . . ?
Au16 AU2z Au13 133.264(18) . . ?
Au16 AG2z Au13 133.264(18) . . ?
Au16 AU2z Au14 93.969(16) . . ?
Au16 AG2z Au14 93.969(16) . . ?
Au16 AG2z Au15 58.683(12) . . ?
Au16 AU2z Au15 58.683(12) . . ?
Au19 AU3z Au22 71.387(14) . . ?
Au19 AG3z Au22 71.387(14) . . ?
Au20 AU1z Au17 69.920(13) . . ?
Au20 AG1z Au17 69.920(13) . . ?
Au23 AG4z Au24 58.515(13) . . ?
Au23 AU4z Au24 58.515(13) . . ?
Au23 AG4z Au25 94.776(16) . . ?
Au23 AU4z Au25 94.776(16) . . ?
Au23 AG4z Au26 132.552(17) . . ?
Au23 AU4z Au26 132.552(17) . . ?
Au24 AG4z Au25 129.795(17) . . ?
Au24 AU4z Au25 129.795(17) . . ?
Au24 AU4z Au26 94.378(16) . . ?
Au24 AG4z Au26 94.378(16) . . ?
Au26 AU4z Au25 72.633(14) . . ?
Au26 AG4z Au25 72.633(14) . . ?
Au27 AG1z Au17 129.515(17) . . ?
Au27 AU1z Au17 129.515(17) . . ?
Au27 AU1z Au20 93.961(15) . . ?
Au27 AG1z Au20 93.961(15) . . ?
Au28 AU4z Au23 60.646(12) . . ?
Au28 AG4z Au23 60.646(12) . . ?
Au28 AU4z Au24 60.614(13) . . ?
Au28 AG4z Au24 60.614(13) . . ?
Au28 AU4z Au25 69.290(13) . . ?
Au28 AG4z Au25 69.290(13) . . ?
Au28 AG4z Au26 72.259(13) . . ?
Au28 AU4z Au26 72.259(13) . . ?
Au29 AG3z Au19 130.074(18) . . ?
Au29 AU3z Au19 130.074(18) . . ?
Au29 AU3z Au22 91.507(16) . . ?
Au29 AG3z Au22 91.507(16) . . ?
Au29 AU3z Au34 59.052(13) . . ?
Au29 AG3z Au34 59.052(13) . . ?
S10 Au23 Au27 82.33(5) . . ?
S10 Au23 Au28 145.41(5) . . ?
S10 Au23 Au35 95.31(5) . . ?
S10 Au23 Ag4 136.55(5) . . ?
Au21 Au24 Au10 72.593(12) . . ?
Au21 Au24 Au22 56.334(11) . . ?
Au21 Au24 Au36 53.827(10) . . ?
Au21 Au24 Ag10 72.593(12) . . ?
Au22 Au24 Au10 82.037(13) . . ?
Au22 Au24 Ag10 82.037(13) . . ?
Au23 Au24 Au4 60.602(13) . . ?
Au23 Au24 Au10 69.807(13) . . ?
Au23 Au24 Au21 64.181(12) . . ?
Au23 Au24 Au22 119.338(14) . . ?
Au23 Au24 Au28 60.765(12) . . ?
Au23 Au24 Au29 126.093(15) . . ?
Au23 Au24 Au36 93.320(13) . . ?
Au23 Au24 Ag4 60.602(13) . . ?
Au23 Au24 Ag10 69.807(13) . . ?
Au28 Au24 Au10 130.572(15) . . ?
Au28 Au24 Au21 85.841(12) . . ?
Au28 Au24 Au22 121.803(14) . . ?
Au28 Au24 Au29 65.529(12) . . ?
Au28 Au24 Au36 60.669(11) . . ?
Au28 Au24 Ag10 130.572(15) . . ?
Au29 Au24 Au10 163.432(16) . . ?
Au29 Au24 Au21 108.530(14) . . ?
Au29 Au24 Au22 85.103(13) . . ?
Au29 Au24 Au36 55.016(10) . . ?
Au29 Au24 Ag10 163.432(16) . . ?
Au36 Au24 Au10 125.383(14) . . ?
Au36 Au24 Au22 61.298(10) . . ?
Au36 Au24 Ag10 125.383(14) . . ?
S19 Au24 Au4 134.77(5) . . ?
S19 Au24 Au10 66.28(6) . . ?
S19 Au24 Au21 92.50(5) . . ?
S19 Au24 Au22 44.65(5) . . ?
S19 Au24 Au23 134.81(6) . . ?
S19 Au24 Au28 160.86(6) . . ?
S19 Au24 Au29 97.19(6) . . ?
S19 Au24 Au36 103.26(5) . . ?
S19 Au24 Ag4 134.77(5) . . ?
S19 Au24 Ag10 66.28(6) . . ?
Au28 Au25 Au27 54.440(9) . . ?
Au30 Au25 Au4 103.665(14) . . ?
Au30 Au25 Au27 56.277(10) . . ?
Au30 Au25 Au28 52.157(10) . . ?
Au30 Au25 Ag4 103.665(14) . . ?
S4 Au25 Au4 99.53(6) . . ?
S4 Au25 Au27 47.32(5) . . ?
S4 Au25 Au28 98.97(6) . . ?
S4 Au25 Au30 94.69(5) . . ?
S4 Au25 Ag4 99.53(6) . . ?
S5 Au25 Au4 90.48(5) . . ?
S5 Au25 Au27 140.50(5) . . ?
S5 Au25 Au28 91.48(5) . . ?
S5 Au25 Au30 88.14(5) . . ?
S5 Au25 S4 168.62(8) . . ?
S5 Au25 Ag4 90.48(5) . . ?
Au28 Au26 Au29 54.995(10) . . ?
Au31 Au26 Au28 50.836(9) . . ?
Au31 Au26 Au29 55.820(10) . . ?
S5 Au26 Au4 94.85(6) . . ?
S5 Au26 Au28 91.38(6) . . ?
S5 Au26 Au29 136.94(5) . . ?
S5 Au26 Au31 82.68(5) . . ?
S5 Au26 S6 176.86(8) . . ?
S5 Au26 Ag4 94.85(6) . . ?
S6 Au26 Au4 87.13(5) . . ?
S6 Au26 Au28 91.76(5) . . ?
S6 Au26 Au29 45.62(5) . . ?
S6 Au26 Au31 99.28(5) . . ?
S6 Au26 Ag4 87.13(5) . . ?
Au23 Au27 Au25 86.195(12) . . ?
Au23 Au27 Au28 56.211(10) . . ?
Au23 Au27 Au30 110.656(14) . . ?
Au28 Au27 Au25 62.044(11) . . ?
Au30 Au27 Au25 56.275(10) . . ?
Au30 Au27 Au28 54.842(10) . . ?
Au32 Au27 Au1 60.089(13) . . ?
Au32 Au27 Au23 126.349(15) . . ?
Au32 Au27 Au25 118.994(14) . . ?
Au32 Au27 Au28 92.705(13) . . ?
Au32 Au27 Au30 63.733(11) . . ?
Au32 Au27 Au35 60.219(11) . . ?
Au32 Au27 Ag1 60.089(13) . . ?
Au35 Au27 Au23 66.313(11) . . ?
Au35 Au27 Au25 122.931(14) . . ?
Au35 Au27 Au28 61.076(11) . . ?
Au35 Au27 Au30 87.004(12) . . ?
S4 Au27 Au1 133.63(5) . . ?
S4 Au27 Au23 96.75(6) . . ?
S4 Au27 Au25 44.98(5) . . ?
S4 Au27 Au28 104.05(5) . . ?
S4 Au27 Au30 92.73(5) . . ?
S4 Au27 Au32 135.33(5) . . ?
S4 Au27 Au35 161.56(6) . . ?
S4 Au27 Ag1 133.63(5) . . ?
Au23 Au28 Au24 58.375(12) . . ?
Au23 Au28 Au25 88.888(12) . . ?
Au23 Au28 Au27 59.812(11) . . ?
Au23 Au28 Au29 116.613(14) . . ?
Au23 Au28 Au33 125.370(14) . . ?
Au23 Au28 Au35 65.617(11) . . ?
Au23 Au28 Au36 94.356(13) . . ?
Au24 Au28 Au25 119.508(13) . . ?
Au24 Au28 Au27 117.936(14) . . ?
Au24 Au28 Au29 58.403(11) . . ?
Au24 Au28 Au33 124.142(15) . . ?
Au24 Au28 Au35 93.395(13) . . ?
Au24 Au28 Au36 64.639(12) . . ?
Au27 Au28 Au25 63.516(11) . . ?
Au27 Au28 Au29 170.111(14) . . ?
Au29 Au28 Au25 126.355(13) . . ?
Au30 Au28 Au23 121.396(15) . . ?
Au30 Au28 Au24 178.014(16) . . ?
Au30 Au28 Au25 58.585(11) . . ?
Au30 Au28 Au27 62.073(11) . . ?
Au30 Au28 Au29 121.950(14) . . ?
Au30 Au28 Au31 59.995(11) . . ?
Au30 Au28 Au33 57.751(11) . . ?
Au30 Au28 Au35 88.181(12) . . ?
Au30 Au28 Au36 117.259(13) . . ?
Au31 Au28 Au23 176.861(15) . . ?
Au31 Au28 Au24 120.122(15) . . ?
Au31 Au28 Au25 89.733(12) . . ?
Au31 Au28 Au27 121.892(14) . . ?
Au31 Au28 Au29 62.190(11) . . ?
Au31 Au28 Au33 57.753(10) . . ?
Au31 Au28 Au35 117.499(13) . . ?
Au31 Au28 Au36 87.159(13) . . ?
Au33 Au28 Au25 116.327(13) . . ?
Au33 Au28 Au27 87.924(11) . . ?
Au33 Au28 Au29 87.480(12) . . ?
Au33 Au28 Au35 59.760(10) . . ?
Au33 Au28 Au36 59.508(10) . . ?
Au35 Au28 Au25 119.193(13) . . ?
Au35 Au28 Au27 55.850(10) . . ?
Au35 Au28 Au29 114.350(14) . . ?
Au35 Au28 Au36 60.080(10) . . ?
Au36 Au28 Au25 175.762(13) . . ?
Au36 Au28 Au27 115.930(13) . . ?
Au36 Au28 Au29 54.287(10) . . ?
Au24 Au29 Au26 84.023(13) . . ?
Au24 Au29 Au28 56.068(11) . . ?
Au24 Au29 Au31 109.824(14) . . ?
Au28 Au29 Au26 62.397(10) . . ?
Au31 Au29 Au26 58.864(10) . . ?
Au31 Au29 Au28 54.143(10) . . ?
Au34 Au29 Au3 60.591(13) . . ?
Au34 Au29 Au24 127.510(14) . . ?
Au34 Au29 Au26 119.732(14) . . ?
Au34 Au29 Au28 92.154(12) . . ?
Au34 Au29 Au31 62.053(11) . . ?
Au34 Au29 Au36 61.277(11) . . ?
Au34 Au29 Ag3 60.591(13) . . ?
Au36 Au29 Au3 60.022(13) . . ?
Au36 Au29 Au24 66.648(11) . . ?
Au36 Au29 Au26 123.744(14) . . ?
Au36 Au29 Au28 61.378(11) . . ?
Au36 Au29 Au31 86.565(12) . . ?
Au36 Au29 Ag3 60.022(13) . . ?
S6 Au29 Au3 133.47(6) . . ?
S6 Au29 Au24 80.78(5) . . ?
S6 Au29 Au26 44.14(6) . . ?
S6 Au29 Au28 97.06(6) . . ?
S6 Au29 Au31 100.82(6) . . ?
S6 Au29 Au34 149.61(5) . . ?
S6 Au29 Au36 147.09(5) . . ?
S6 Au29 Ag3 133.47(6) . . ?
Au25 Au30 Au13 157.926(16) . . ?
Au25 Au30 Au32 120.449(13) . . ?
Au27 Au30 Au13 118.305(13) . . ?
Au27 Au30 Au25 67.448(11) . . ?
Au27 Au30 Au32 54.032(10) . . ?
Au28 Au30 Au13 132.807(15) . . ?
Au28 Au30 Au25 69.258(12) . . ?
Au28 Au30 Au27 63.085(11) . . ?
Au28 Au30 Au31 60.081(11) . . ?
Au28 Au30 Au32 91.802(12) . . ?
Au31 Au30 Au13 97.282(13) . . ?
Au31 Au30 Au25 95.976(13) . . ?
Au31 Au30 Au27 122.985(15) . . ?
Au31 Au30 Au32 123.065(15) . . ?
Au32 Au30 Au13 65.256(10) . . ?
Au33 Au30 Au13 68.366(11) . . ?
Au33 Au30 Au25 133.708(15) . . ?
Au33 Au30 Au27 92.002(13) . . ?
Au33 Au30 Au28 64.462(12) . . ?
Au33 Au30 Au31 60.010(11) . . ?
Au33 Au30 Au32 63.256(11) . . ?
S1 Au30 Au13 70.36(5) . . ?
S1 Au30 Au25 88.09(5) . . ?
S1 Au30 Au27 96.37(6) . . ?
S1 Au30 Au28 153.62(6) . . ?
S1 Au30 Au31 138.89(6) . . ?
S1 Au30 Au32 88.18(6) . . ?
S1 Au30 Au33 136.76(5) . . ?
Au14 Au31 Au26 158.178(14) . . ?
Au28 Au31 Au14 133.758(14) . . ?
Au28 Au31 Au26 68.063(11) . . ?
Au28 Au31 Au29 63.668(11) . . ?
Au28 Au31 Au34 93.322(13) . . ?
Au29 Au31 Au14 120.429(14) . . ?
Au29 Au31 Au26 65.317(11) . . ?
Au30 Au31 Au14 95.630(13) . . ?
Au30 Au31 Au26 97.334(13) . . ?
Au30 Au31 Au28 59.924(11) . . ?
Au30 Au31 Au29 123.350(14) . . ?
Au30 Au31 Au34 123.721(14) . . ?
Au33 Au31 Au14 69.405(11) . . ?
Au33 Au31 Au26 132.412(14) . . ?
Au33 Au31 Au28 64.379(11) . . ?
Au33 Au31 Au29 91.697(13) . . ?
Au33 Au31 Au30 59.939(11) . . ?
Au33 Au31 Au34 63.883(11) . . ?
Au34 Au31 Au14 67.028(12) . . ?
Au34 Au31 Au26 118.429(14) . . ?
Au34 Au31 Au29 54.252(11) . . ?
S24 Au31 Au14 88.30(6) . . ?
S24 Au31 Au26 70.41(6) . . ?
S24 Au31 Au28 136.69(5) . . ?
S24 Au31 Au29 88.27(5) . . ?
S24 Au31 Au30 138.61(6) . . ?
S24 Au31 Au33 154.02(6) . . ?
S24 Au31 Au34 95.73(6) . . ?
Au15 Au32 Au13 85.327(12) . . ?
Au15 Au32 Au30 110.279(14) . . ?
Au15 Au32 Au33 56.444(10) . . ?
Au27 Au32 Au1 61.028(13) . . ?
Au27 Au32 Au13 120.020(14) . . ?
Au27 Au32 Au15 125.718(14) . . ?
Au27 Au32 Au30 62.235(11) . . ?
Au27 Au32 Au33 91.372(12) . . ?
Au27 Au32 Au35 61.069(11) . . ?
Au27 Au32 Ag1 61.028(13) . . ?
Au30 Au32 Au13 58.816(10) . . ?
Au30 Au32 Au33 54.133(10) . . ?
Au33 Au32 Au13 62.773(10) . . ?
Au35 Au32 Au13 123.302(14) . . ?
Au35 Au32 Au15 64.935(11) . . ?
Au35 Au32 Au30 86.638(12) . . ?
Au35 Au32 Au33 60.543(11) . . ?
S7 Au32 Au1 133.08(6) . . ?
S7 Au32 Au13 44.57(6) . . ?
S7 Au32 Au15 82.11(5) . . ?
S7 Au32 Au27 150.34(6) . . ?
S7 Au32 Au30 101.13(6) . . ?
S7 Au32 Au33 97.89(6) . . ?
S7 Au32 Au35 146.69(6) . . ?
S7 Au32 Ag1 133.08(6) . . ?
Au15 Au33 Au14 118.775(13) . . ?
Au15 Au33 Au28 124.099(13) . . ?
Au15 Au33 Au32 58.935(11) . . ?
Au15 Au33 Au34 117.397(14) . . ?
Au15 Au33 Au35 63.785(11) . . ?
Au15 Au33 Au36 92.628(13) . . ?
Au16 Au33 Au14 87.683(12) . . ?
Au16 Au33 Au15 58.323(11) . . ?
Au16 Au33 Au28 125.540(15) . . ?
Au16 Au33 Au32 117.185(13) . . ?
Au16 Au33 Au34 59.318(11) . . ?
Au16 Au33 Au35 94.028(13) . . ?
Au16 Au33 Au36 64.735(11) . . ?
Au28 Au33 Au14 117.121(12) . . ?
Au28 Au33 Au32 87.991(11) . . ?
Au28 Au33 Au34 88.508(12) . . ?
Au30 Au33 Au14 89.833(12) . . ?
Au30 Au33 Au15 121.176(15) . . ?
Au30 Au33 Au16 176.571(16) . . ?
Au30 Au33 Au28 57.787(11) . . ?
Au30 Au33 Au31 60.051(11) . . ?
Au30 Au33 Au32 62.610(11) . . ?
Au30 Au33 Au34 121.406(14) . . ?
Au30 Au33 Au35 88.535(12) . . ?
Au30 Au33 Au36 118.601(13) . . ?
Au31 Au33 Au14 59.271(10) . . ?
Au31 Au33 Au15 177.953(15) . . ?
Au31 Au33 Au16 120.341(15) . . ?
Au31 Au33 Au28 57.868(11) . . ?
Au31 Au33 Au32 122.461(14) . . ?
Au31 Au33 Au34 61.452(11) . . ?
Au31 Au33 Au35 118.170(13) . . ?
Au31 Au33 Au36 87.995(12) . . ?
Au32 Au33 Au14 125.554(13) . . ?
Au34 Au33 Au14 62.891(10) . . ?
Au34 Au33 Au32 171.477(14) . . ?
Au35 Au33 Au14 177.435(13) . . ?
Au35 Au33 Au28 60.317(10) . . ?
Au35 Au33 Au32 55.187(10) . . ?
Au35 Au33 Au34 116.438(13) . . ?
Au36 Au33 Au14 118.550(13) . . ?
Au36 Au33 Au28 60.814(11) . . ?
Au36 Au33 Au32 115.877(13) . . ?
Au36 Au33 Au34 55.735(10) . . ?
Au36 Au33 Au35 60.704(10) . . ?
Au16 Au34 Au14 85.671(12) . . ?
Au16 Au34 Au31 110.043(14) . . ?
Au16 Au34 Au33 55.730(10) . . ?
Au29 Au34 Au3 60.357(13) . . ?
Au29 Au34 Au14 120.285(14) . . ?
Au29 Au34 Au16 124.743(15) . . ?
Au29 Au34 Au31 63.695(12) . . ?
Au29 Au34 Au33 91.805(13) . . ?
Au29 Au34 Au36 59.757(11) . . ?
Au29 Au34 Ag3 60.357(13) . . ?
Au31 Au34 Au14 57.450(10) . . ?
Au31 Au34 Au33 54.665(10) . . ?
Au33 Au34 Au14 62.556(10) . . ?
Au36 Au34 Au14 122.786(14) . . ?
Au36 Au34 Au16 65.178(11) . . ?
Au36 Au34 Au31 86.678(13) . . ?
Au36 Au34 Au33 60.312(11) . . ?
S9 Au34 Au3 134.40(5) . . ?
S9 Au34 Au14 43.53(5) . . ?
S9 Au34 Au16 95.96(6) . . ?
S9 Au34 Au29 137.38(6) . . ?
S9 Au34 Au31 92.95(5) . . ?
S9 Au34 Au33 103.13(5) . . ?
S9 Au34 Au36 159.51(6) . . ?
S9 Au34 Ag3 134.40(5) . . ?
Au15 Au35 Au20 125.922(13) . . ?
Au15 Au35 Au23 170.329(14) . . ?
Au18 Au35 Au1 118.757(15) . . ?
Au18 Au35 Au15 61.703(11) . . ?
Au18 Au35 Au20 92.440(13) . . ?
Au18 Au35 Au21 60.337(12) . . ?
Au18 Au35 Au23 122.241(14) . . ?
Au18 Au35 Au27 179.066(16) . . ?
Au18 Au35 Au28 117.817(14) . . ?
Au18 Au35 Au32 120.690(14) . . ?
Au18 Au35 Au33 88.055(13) . . ?
Au18 Au35 Au36 57.493(11) . . ?
Au18 Au35 Ag1 118.757(15) . . ?
Au21 Au35 Au15 121.809(15) . . ?
Au21 Au35 Au20 61.797(11) . . ?
Au21 Au35 Au23 62.071(11) . . ?
Au21 Au35 Au27 120.247(14) . . ?
Au21 Au35 Au28 87.111(12) . . ?
Au21 Au35 Au32 178.633(17) . . ?
Au21 Au35 Au33 116.921(14) . . ?
Au21 Au35 Au36 57.315(11) . . ?
Au23 Au35 Au20 63.678(10) . . ?
Au27 Au35 Au15 117.778(14) . . ?
Au27 Au35 Au20 87.297(13) . . ?
Au27 Au35 Au23 58.407(11) . . ?
Au27 Au35 Au28 63.074(11) . . ?
Au27 Au35 Au33 92.238(13) . . ?
Au27 Au35 Au36 123.400(14) . . ?
Au28 Au35 Au15 115.874(13) . . ?
Au28 Au35 Au20 118.204(12) . . ?
Au28 Au35 Au23 54.545(10) . . ?
Au28 Au35 Au36 60.326(10) . . ?
Au32 Au35 Au15 59.309(11) . . ?
Au32 Au35 Au20 116.992(14) . . ?
Au32 Au35 Au23 116.968(14) . . ?
Au32 Au35 Au27 58.712(11) . . ?
Au32 Au35 Au28 93.044(13) . . ?
Au32 Au35 Au33 64.270(11) . . ?
Au32 Au35 Au36 123.897(14) . . ?
Au33 Au35 Au15 55.954(10) . . ?
Au33 Au35 Au20 178.014(13) . . ?
Au33 Au35 Au23 114.462(12) . . ?
Au33 Au35 Au28 59.923(10) . . ?
Au33 Au35 Au36 59.644(10) . . ?
Au36 Au35 Au15 87.506(12) . . ?
Au36 Au35 Au20 119.110(13) . . ?
Au36 Au35 Au23 88.026(11) . . ?
Au16 Au36 Au19 63.708(11) . . ?
Au16 Au36 Au24 169.259(15) . . ?
Au18 Au36 Au3 118.558(16) . . ?
Au18 Au36 Au16 62.982(11) . . ?
Au18 Au36 Au19 62.387(11) . . ?
Au18 Au36 Au24 121.344(14) . . ?
Au18 Au36 Au28 116.836(14) . . ?
Au18 Au36 Au33 87.916(12) . . ?
Au18 Au36 Au34 121.504(14) . . ?
Au18 Au36 Au35 57.243(11) . . ?
Au18 Au36 Ag3 118.558(16) . . ?
Au21 Au36 Au3 119.218(16) . . ?
Au21 Au36 Au16 122.983(13) . . ?
Au21 Au36 Au18 60.271(11) . . ?
Au21 Au36 Au19 93.993(13) . . ?
Au21 Au36 Au24 61.296(11) . . ?
Au21 Au36 Au28 86.715(13) . . ?
Au21 Au36 Au29 119.249(14) . . ?
Au21 Au36 Au33 116.999(14) . . ?
Au21 Au36 Au34 178.188(15) . . ?
Au21 Au36 Au35 57.385(11) . . ?
Au21 Au36 Ag3 119.218(16) . . ?
Au24 Au36 Au19 126.937(13) . . ?
Au28 Au36 Au16 114.670(13) . . ?
Au28 Au36 Au19 178.356(14) . . ?
Au28 Au36 Au24 54.692(10) . . ?
Au29 Au36 Au3 60.244(13) . . ?
Au29 Au36 Au16 117.622(14) . . ?
Au29 Au36 Au18 178.489(17) . . ?
Au29 Au36 Au19 116.469(14) . . ?
Au29 Au36 Au24 58.337(11) . . ?
Au29 Au36 Au28 64.336(11) . . ?
Au29 Au36 Au33 93.545(13) . . ?
Au29 Au36 Au34 58.967(11) . . ?
Au29 Au36 Au35 123.911(15) . . ?
Au29 Au36 Ag3 60.244(13) . . ?
Au33 Au36 Au16 55.000(10) . . ?
Au32 AG1z Au17 94.009(15) . . ?
Au33 Au36 Au19 118.696(13) . . ?
Au33 Au36 Au24 114.365(14) . . ?
Au33 Au36 Au28 59.678(10) . . ?
Au32 AU1z Au17 94.009(15) . . ?
Au32 AU1z Au20 128.998(18) . . ?
Au32 AG1z Au20 128.998(18) . . ?
Au32 AG1z Au27 58.884(12) . . ?
Au32 AU1z Au27 58.884(12) . . ?
Au33 AU2z Au13 72.894(14) . . ?
Au33 AG2z Au13 72.894(14) . . ?
Au33 AG2z Au14 70.250(13) . . ?
Au33 AU2z Au14 70.250(13) . . ?
Au33 AG2z Au15 61.268(12) . . ?
Au33 AU2z Au15 61.268(12) . . ?
Au33 AG2z Au16 60.495(13) . . ?
Au33 AU2z Au16 60.495(13) . . ?
Au33 Au36 Au35 59.652(10) . . ?
Au34 AU3z Au19 95.074(15) . . ?
Au34 AG3z Au19 95.074(15) . . ?
Au34 Au36 Au16 58.821(11) . . ?
Au34 Au36 Au19 86.732(13) . . ?
Au34 AG3z Au22 128.320(18) . . ?
Au34 AU3z Au22 128.320(18) . . ?
Au34 Au36 Au24 116.969(13) . . ?
Au34 Au36 Au28 92.603(13) . . ?
Au34 Au36 Au33 63.953(11) . . ?
Au34 Au36 Au35 123.604(14) . . ?
Au35 Au36 Au16 87.728(11) . . ?
Au35 AG1z Au17 69.035(13) . . ?
Au35 Au36 Au19 119.620(12) . . ?
Au35 Au36 Au24 87.288(12) . . ?
Au35 Au36 Au28 59.594(10) . . ?
C2 C1 C6 122.3(9) . . ?
C2 C1 S1 120.1(6) . . ?
C6 C1 S1 117.5(7) . . ?
C1 C2 H2 119.9 . . ?
C1 C2 C3 120.2(8) . . ?
C3 C2 H2 119.9 . . ?
C2 C3 H3 121.2 . . ?
C4 C3 C2 117.5(8) . . ?
C4 C3 H3 121.2 . . ?
C3 C4 C7 119.1(9) . . ?
C5 C4 C3 124.1(9) . . ?
C5 C4 C7 116.6(9) . . ?
C4 C5 H5 120.8 . . ?
C4 C5 C6 118.4(9) . . ?
C6 C5 H5 120.8 . . ?
C1 C6 C5 117.3(8) . . ?
C1 C6 H6 121.4 . . ?
C5 C6 H6 121.4 . . ?
C8 C7 C4 106.7(8) . . ?
C8 C7 C9 107.8(9) . . ?
C8 C7 C10 110.5(10) . . ?
C9 C7 C4 108.2(9) . . ?
C9 C7 C10 111.7(9) . . ?
C10 C7 C4 111.6(8) . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C7 C9 H9A 109.5 . . ?
Au35 AU1z Au17 69.035(13) . . ?
Au35 AU1z Au20 68.761(14) . . ?
Au35 AG1z Au20 68.761(14) . . ?
Au35 AU1z Au27 60.592(12) . . ?
Au35 AG1z Au27 60.592(12) . . ?
Au35 AG1z Au32 60.349(12) . . ?
Au35 AU1z Au32 60.349(12) . . ?
Au36 AG3z Au19 70.417(14) . . ?
Au36 AU3z Au19 70.417(14) . . ?
Au36 AU3z Au22 67.905(13) . . ?
Au36 AG3z Au22 67.905(13) . . ?
Au36 AG3z Au29 59.734(12) . . ?
Au36 AU3z Au29 59.734(12) . . ?
Au36 AG3z Au34 60.653(12) . . ?
Au36 AU3z Au34 60.653(12) . . ?
C7 C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C7 C10 H10A 109.5 . . ?
C7 C10 H10B 109.5 . . ?
C7 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C12 C11 C16 117.4(8) . . ?
C12 C11 S2 121.8(7) . . ?
C16 C11 S2 120.7(8) . . ?
C11 C12 H12 119.8 . . ?
C11 C12 C13 120.3(8) . . ?
C13 C12 H12 119.8 . . ?
C12 C13 H13 120.4 . . ?
C14 C13 C12 119.2(9) . . ?
C14 C13 H13 120.4 . . ?
C13 C14 C17 119.0(9) . . ?
C15 C14 C13 118.9(10) . . ?
C15 C14 C17 122.1(9) . . ?
C14 C15 H15 118.4 . . ?
C14 C15 C16 123.1(11) . . ?
C16 C15 H15 118.4 . . ?
C11 C16 H16 119.7 . . ?
C15 C16 C11 120.7(10) . . ?
C15 C16 H16 119.7 . . ?
C18 C17 C14 108.9(9) . . ?
C18 C17 C19 105.9(9) . . ?
C19 C17 C14 106.3(9) . . ?
C20 C17 C14 107.5(9) . . ?
C20 C17 C18 111.1(10) . . ?
C20 C17 C19 116.9(10) . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C17 C19 H19A 109.5 . . ?
C17 C19 H19B 109.5 . . ?
C17 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C17 C20 H20A 109.5 . . ?
C17 C20 H20B 109.5 . . ?
C17 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C22 C21 C26 116.6(9) . . ?
C22 C21 S3 123.6(8) . . ?
C26 C21 S3 119.8(8) . . ?
C21 C22 H22 118.2 . . ?
C21 C22 C23 123.6(10) . . ?
C23 C22 H22 118.2 . . ?
C22 C23 H23 120.7 . . ?
C24 C23 C22 118.5(10) . . ?
C24 C23 H23 120.7 . . ?
C23 C24 C27 120.7(9) . . ?
C25 C24 C23 121.3(9) . . ?
C25 C24 C27 118.0(9) . . ?
C24 C25 H25 120.2 . . ?
C24 C25 C26 119.6(9) . . ?
C26 C25 H25 120.2 . . ?
C21 C26 C25 120.3(8) . . ?
C21 C26 H26 119.9 . . ?
C25 C26 H26 119.9 . . ?
C24 C27 C28 105.8(8) . . ?
C29 C27 C24 110.4(9) . . ?
C29 C27 C28 108.4(9) . . ?
C29 C27 C30 111.8(9) . . ?
C30 C27 C24 111.4(8) . . ?
C30 C27 C28 108.8(10) . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C27 C29 H29A 109.5 . . ?
C27 C29 H29B 109.5 . . ?
C27 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C27 C30 H30A 109.5 . . ?
C27 C30 H30B 109.5 . . ?
C27 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C32 C31 S4 119.8(7) . . ?
C36 C31 C32 118.5(8) . . ?
C36 C31 S4 121.7(7) . . ?
C31 C32 H32 121.3 . . ?
C33 C32 C31 117.3(9) . . ?
C33 C32 H32 121.3 . . ?
C32 C33 H33 116.7 . . ?
C32 C33 C34 126.6(9) . . ?
C34 C33 H33 116.7 . . ?
C33 C34 C35 116.6(8) . . ?
C33 C34 C37 124.6(9) . . ?
C35 C34 C37 118.8(9) . . ?
C34 C35 H35 121.9 . . ?
C36 C35 C34 116.3(8) . . ?
C36 C35 H35 121.9 . . ?
C31 C36 C35 124.5(8) . . ?
C31 C36 H36 117.7 . . ?
C35 C36 H36 117.7 . . ?
C34 C37 C38 108.8(8) . . ?
C34 C37 C39 108.5(8) . . ?
C38 C37 C39 110.6(8) . . ?
C40 C37 C34 108.9(8) . . ?
C40 C37 C38 108.4(9) . . ?
C40 C37 C39 111.6(7) . . ?
C37 C38 H38A 109.5 . . ?
C37 C38 H38B 109.5 . . ?
C37 C38 H38C 109.5 . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C37 C39 H39A 109.5 . . ?
C37 C39 H39B 109.5 . . ?
C37 C39 H39C 109.5 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C37 C40 H40A 109.5 . . ?
C37 C40 H40B 109.5 . . ?
C37 C40 H40C 109.5 . . ?
H40A C40 H40B 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C42 C41 C46 117.8(9) . . ?
C42 C41 S5 125.1(8) . . ?
C46 C41 S5 116.0(7) . . ?
C41 C42 H42 119.1 . . ?
C41 C42 C43 121.8(9) . . ?
C43 C42 H42 119.1 . . ?
C42 C43 H43 120.4 . . ?
C44 C43 C42 119.1(8) . . ?
C44 C43 H43 120.4 . . ?
C43 C44 C47 116.1(9) . . ?
C45 C44 C43 124.6(9) . . ?
C45 C44 C47 118.9(9) . . ?
C44 C45 H45 121.3 . . ?
C44 C45 C46 117.4(9) . . ?
C46 C45 H45 121.3 . . ?
C41 C46 C45 117.9(9) . . ?
C41 C46 H46 121.1 . . ?
C45 C46 H46 121.1 . . ?
C44 C47 C48 111.8(10) . . ?
C44 C47 C49 108.1(9) . . ?
C48 C47 C49 106.2(9) . . ?
C50 C47 C44 109.6(9) . . ?
C50 C47 C48 112.8(10) . . ?
C50 C47 C49 108.2(10) . . ?
C47 C48 H48A 109.5 . . ?
C47 C48 H48B 109.5 . . ?
C47 C48 H48C 109.5 . . ?
H48A C48 H48B 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C47 C49 H49A 109.5 . . ?
C47 C49 H49B 109.5 . . ?
C47 C49 H49C 109.5 . . ?
H49A C49 H49B 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
C47 C50 H50A 109.5 . . ?
C47 C50 H50B 109.5 . . ?
C47 C50 H50C 109.5 . . ?
H50A C50 H50B 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
C52 C51 C56 118.9(9) . . ?
C52 C51 S6 126.8(8) . . ?
C56 C51 S6 114.3(7) . . ?
C51 C52 H52 117.9 . . ?
C53 C52 C51 124.2(12) . . ?
C53 C52 H52 117.9 . . ?
C52 C53 H53 120.2 . . ?
C52 C53 C54 119.7(11) . . ?
C54 C53 H53 120.2 . . ?
C53 C54 C55 125.5(10) . . ?
C53 C54 C57 122.5(10) . . ?
C55 C54 C57 111.9(10) . . ?
C54 C55 H55 124.0 . . ?
C54 C55 C56 112.0(10) . . ?
C56 C55 H55 124.0 . . ?
C51 C56 C55 119.7(9) . . ?
C51 C56 H56 120.2 . . ?
C55 C56 H56 120.2 . . ?
C54 C57 C58 107.5(9) . . ?
C59 C57 C54 105.4(8) . . ?
C59 C57 C58 110.5(8) . . ?
C59 C57 C60 118.7(10) . . ?
C60 C57 C54 109.1(8) . . ?
C60 C57 C58 105.3(9) . . ?
C57 C58 H58A 109.5 . . ?
C57 C58 H58B 109.5 . . ?
C57 C58 H58C 109.5 . . ?
H58A C58 H58B 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
C57 C59 H59A 109.5 . . ?
C57 C59 H59B 109.5 . . ?
C57 C59 H59C 109.5 . . ?
H59A C59 H59B 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
C57 C60 H60A 109.5 . . ?
C57 C60 H60B 109.5 . . ?
C57 C60 H60C 109.5 . . ?
H60A C60 H60B 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
C62 C61 S7 115.1(7) . . ?
C66 C61 C62 125.9(9) . . ?
C66 C61 S7 119.0(8) . . ?
C61 C62 H62 122.2 . . ?
C61 C62 C63 115.5(9) . . ?
C63 C62 H62 122.2 . . ?
C62 C63 H63 120.7 . . ?
C64 C63 C62 118.6(9) . . ?
C64 C63 H63 120.7 . . ?
C63 C64 C65 124.8(9) . . ?
C63 C64 C67 118.4(10) . . ?
C65 C64 C67 116.7(10) . . ?
C64 C65 H65 121.1 . . ?
C64 C65 C66 117.7(9) . . ?
C66 C65 H65 121.1 . . ?
C61 C66 C65 117.4(9) . . ?
C61 C66 H66 121.3 . . ?
C65 C66 H66 121.3 . . ?
C68 C67 C64 108.1(8) . . ?
C69 C67 C64 107.7(8) . . ?
C69 C67 C68 113.0(10) . . ?
C69 C67 C70 107.5(9) . . ?
C70 C67 C64 107.7(9) . . ?
C70 C67 C68 112.7(9) . . ?
C67 C68 H68A 109.5 . . ?
C67 C68 H68B 109.5 . . ?
C67 C68 H68C 109.5 . . ?
H68A C68 H68B 109.5 . . ?
H68A C68 H68C 109.5 . . ?
H68B C68 H68C 109.5 . . ?
C67 C69 H69A 109.5 . . ?
C67 C69 H69B 109.5 . . ?
C67 C69 H69C 109.5 . . ?
H69A C69 H69B 109.5 . . ?
H69A C69 H69C 109.5 . . ?
H69B C69 H69C 109.5 . . ?
C67 C70 H70A 109.5 . . ?
C67 C70 H70B 109.5 . . ?
C67 C70 H70C 109.5 . . ?
H70A C70 H70B 109.5 . . ?
H70A C70 H70C 109.5 . . ?
H70B C70 H70C 109.5 . . ?
C72 C71 S8 118.7(6) . . ?
C76 C71 C72 117.5(8) . . ?
C76 C71 S8 122.9(7) . . ?
C71 C72 H72 119.5 . . ?
C73 C72 C71 121.1(9) . . ?
C73 C72 H72 119.5 . . ?
C72 C73 H73 121.0 . . ?
C74 C73 C72 118.0(9) . . ?
C74 C73 H73 121.0 . . ?
C73 C74 C75 123.1(9) . . ?
C73 C74 C77 117.0(10) . . ?
C75 C74 C77 119.7(9) . . ?
C74 C75 H75 121.2 . . ?
C74 C75 C76 117.6(8) . . ?
C76 C75 H75 121.2 . . ?
C71 C76 C75 122.3(9) . . ?
C71 C76 H76 118.9 . . ?
C75 C76 H76 118.9 . . ?
C78 C77 C74 112.0(10) . . ?
C78 C77 C79 108.9(10) . . ?
C78 C77 C80 109.6(10) . . ?
C79 C77 C74 108.5(9) . . ?
C79 C77 C80 113.9(11) . . ?
C80 C77 C74 103.9(9) . . ?
C77 C78 H78A 109.5 . . ?
C77 C78 H78B 109.5 . . ?
C77 C78 H78C 109.5 . . ?
H78A C78 H78B 109.5 . . ?
H78A C78 H78C 109.5 . . ?
H78B C78 H78C 109.5 . . ?
C77 C79 H79A 109.5 . . ?
C77 C79 H79B 109.5 . . ?
C77 C79 H79C 109.5 . . ?
H79A C79 H79B 109.5 . . ?
H79A C79 H79C 109.5 . . ?
H79B C79 H79C 109.5 . . ?
C77 C80 H80A 109.5 . . ?
C77 C80 H80B 109.5 . . ?
C77 C80 H80C 109.5 . . ?
H80A C80 H80B 109.5 . . ?
H80A C80 H80C 109.5 . . ?
H80B C80 H80C 109.5 . . ?
C82 C81 C86 123.3(10) . . ?
C82 C81 S9 118.1(7) . . ?
C86 C81 S9 118.6(7) . . ?
C81 C82 H82 120.4 . . ?
C81 C82 C83 119.2(9) . . ?
C83 C82 H82 120.4 . . ?
C82 C83 H83 120.4 . . ?
C82 C83 C84 119.2(9) . . ?
C84 C83 H83 120.4 . . ?
C83 C84 C87 120.6(9) . . ?
C85 C84 C83 118.7(9) . . ?
C85 C84 C87 120.7(9) . . ?
C84 C85 H85 120.3 . . ?
C86 C85 C84 119.4(11) . . ?
C86 C85 H85 120.3 . . ?
C81 C86 C85 120.1(10) . . ?
C81 C86 H86 119.9 . . ?
C85 C86 H86 119.9 . . ?
C84 C87 C88 112.8(8) . . ?
C84 C87 C89 111.5(8) . . ?
C84 C87 C90 110.0(9) . . ?
C88 C87 C89 107.5(8) . . ?
C88 C87 C90 107.8(8) . . ?
C89 C87 C90 107.0(9) . . ?
C87 C88 H88A 109.5 . . ?
C87 C88 H88B 109.5 . . ?
C87 C88 H88C 109.5 . . ?
H88A C88 H88B 109.5 . . ?
H88A C88 H88C 109.5 . . ?
H88B C88 H88C 109.5 . . ?
C87 C89 H89A 109.5 . . ?
C87 C89 H89B 109.5 . . ?
C87 C89 H89C 109.5 . . ?
H89A C89 H89B 109.5 . . ?
H89A C89 H89C 109.5 . . ?
H89B C89 H89C 109.5 . . ?
C87 C90 H90A 109.5 . . ?
C87 C90 H90B 109.5 . . ?
C87 C90 H90C 109.5 . . ?
H90A C90 H90B 109.5 . . ?
H90A C90 H90C 109.5 . . ?
H90B C90 H90C 109.5 . . ?
C92 C91 S10 117.7(7) . . ?
C96 C91 C92 120.2(8) . . ?
C96 C91 S10 121.7(7) . . ?
C91 C92 H92 121.5 . . ?
C93 C92 C91 117.0(9) . . ?
C93 C92 H92 121.5 . . ?
C92 C93 H93 119.2 . . ?
C92 C93 C94 121.7(9) . . ?
C94 C93 H93 119.2 . . ?
C93 C94 C97 121.1(9) . . ?
C95 C94 C93 119.9(9) . . ?
C95 C94 C97 118.9(9) . . ?
C94 C95 H95 120.4 . . ?
C96 C95 C94 119.2(10) . . ?
C96 C95 H95 120.4 . . ?
C91 C96 H96 119.1 . . ?
C95 C96 C91 121.9(9) . . ?
C95 C96 H96 119.0 . . ?
C94 C97 C98 110.3(8) . . ?
C94 C97 C100 107.9(8) . . ?
C99 C97 C94 107.3(9) . . ?
C99 C97 C98 110.4(9) . . ?
C99 C97 C100 113.1(9) . . ?
C100 C97 C98 107.9(9) . . ?
C97 C98 H98A 109.5 . . ?
C97 C98 H98B 109.5 . . ?
C97 C98 H98C 109.5 . . ?
H98A C98 H98B 109.5 . . ?
H98A C98 H98C 109.5 . . ?
H98B C98 H98C 109.5 . . ?
C97 C99 H99A 109.5 . . ?
C97 C99 H99B 109.5 . . ?
C97 C99 H99C 109.5 . . ?
H99A C99 H99B 109.5 . . ?
H99A C99 H99C 109.5 . . ?
H99B C99 H99C 109.5 . . ?
C97 C100 H10D 109.5 . . ?
C97 C100 H10E 109.5 . . ?
C97 C100 H10F 109.5 . . ?
H10D C100 H10E 109.5 . . ?
H10D C100 H10F 109.5 . . ?
H10E C100 H10F 109.5 . . ?
C102 C101 S11 119.4(6) . . ?
C106 C101 C102 116.6(8) . . ?
C106 C101 S11 123.6(8) . . ?
C101 C102 H102 118.6 . . ?
C103 C102 C101 122.8(8) . . ?
C103 C102 H102 118.6 . . ?
C102 C103 H103 120.9 . . ?
C102 C103 C104 118.2(8) . . ?
C104 C103 H103 120.9 . . ?
C103 C104 C107 120.5(8) . . ?
C105 C104 C103 118.4(8) . . ?
C105 C104 C107 121.1(9) . . ?
C104 C105 H105 118.2 . . ?
C104 C105 C106 123.5(8) . . ?
C106 C105 H105 118.2 . . ?
C101 C106 C105 120.4(9) . . ?
C101 C106 H106 119.8 . . ?
C105 C106 H106 119.8 . . ?
C108 C107 C104 109.5(9) . . ?
C108 C107 C109 104.3(11) . . ?
C108 C107 C110 108.5(10) . . ?
C109 C107 C104 109.4(9) . . ?
C109 C107 C110 112.3(10) . . ?
C110 C107 C104 112.6(9) . . ?
C107 C108 H10G 109.5 . . ?
C107 C108 H10H 109.5 . . ?
C107 C108 H10I 109.5 . . ?
H10G C108 H10H 109.5 . . ?
H10G C108 H10I 109.5 . . ?
H10H C108 H10I 109.5 . . ?
C107 C109 H10J 109.5 . . ?
C107 C109 H10K 109.5 . . ?
C107 C109 H10L 109.5 . . ?
H10J C109 H10K 109.5 . . ?
H10J C109 H10L 109.5 . . ?
H10K C109 H10L 109.5 . . ?
C107 C110 H11A 109.5 . . ?
C107 C110 H11B 109.5 . . ?
C107 C110 H11C 109.5 . . ?
H11A C110 H11B 109.5 . . ?
H11A C110 H11C 109.5 . . ?
H11B C110 H11C 109.5 . . ?
C112 C111 C116 120.5(9) . . ?
C112 C111 S12 120.0(7) . . ?
C116 C111 S12 119.4(7) . . ?
C111 C112 H112 118.6 . . ?
C111 C112 C113 122.8(9) . . ?
C113 C112 H112 118.6 . . ?
C112 C113 H113 121.9 . . ?
C112 C113 C114 116.1(9) . . ?
C114 C113 H113 121.9 . . ?
C113 C114 C117 120.8(10) . . ?
C115 C114 C113 120.2(9) . . ?
C115 C114 C117 118.9(10) . . ?
C114 C115 H115 119.1 . . ?
C116 C115 C114 121.8(10) . . ?
C116 C115 H115 119.1 . . ?
C111 C116 H116 120.8 . . ?
C115 C116 C111 118.4(10) . . ?
C115 C116 H116 120.8 . . ?
C118 C117 C114 110.2(8) . . ?
C118 C117 C119 106.9(11) . . ?
C119 C117 C114 104.6(9) . . ?
C120 C117 C114 110.2(10) . . ?
C120 C117 C118 112.4(11) . . ?
C120 C117 C119 112.2(10) . . ?
C117 C118 H11D 109.5 . . ?
C117 C118 H11E 109.5 . . ?
C117 C118 H11F 109.5 . . ?
H11D C118 H11E 109.5 . . ?
H11D C118 H11F 109.5 . . ?
H11E C118 H11F 109.5 . . ?
C117 C119 H11G 109.5 . . ?
C117 C119 H11H 109.5 . . ?
C117 C119 H11I 109.5 . . ?
H11G C119 H11H 109.5 . . ?
H11G C119 H11I 109.5 . . ?
H11H C119 H11I 109.5 . . ?
C117 C120 H12A 109.5 . . ?
C117 C120 H12B 109.5 . . ?
C117 C120 H12C 109.5 . . ?
H12A C120 H12B 109.5 . . ?
H12A C120 H12C 109.5 . . ?
H12B C120 H12C 109.5 . . ?
C122 C121 S13 120.4(6) . . ?
C126 C121 C122 120.2(8) . . ?
C126 C121 S13 119.4(7) . . ?
C121 C122 H122 120.1 . . ?
C123 C122 C121 119.8(8) . . ?
C123 C122 H122 120.1 . . ?
C122 C123 H123 120.1 . . ?
C122 C123 C124 119.9(10) . . ?
C124 C123 H123 120.1 . . ?
C123 C124 C127 119.3(9) . . ?
C125 C124 C123 120.2(10) . . ?
C125 C124 C127 120.5(9) . . ?
C124 C125 H125 120.0 . . ?
C124 C125 C126 120.1(10) . . ?
C126 C125 H125 120.0 . . ?
C121 C126 C125 119.8(8) . . ?
C121 C126 H126 120.1 . . ?
C125 C126 H126 120.1 . . ?
C124 C127 C130 107.3(7) . . ?
C128 C127 C124 111.6(9) . . ?
C128 C127 C130 107.2(10) . . ?
C129 C127 C124 111.4(9) . . ?
C129 C127 C128 110.9(9) . . ?
C129 C127 C130 108.4(9) . . ?
C127 C128 H12D 109.5 . . ?
C127 C128 H12E 109.5 . . ?
C127 C128 H12F 109.5 . . ?
H12D C128 H12E 109.5 . . ?
H12D C128 H12F 109.5 . . ?
H12E C128 H12F 109.5 . . ?
C127 C129 H12G 109.5 . . ?
C127 C129 H12H 109.5 . . ?
C127 C129 H12I 109.5 . . ?
H12G C129 H12H 109.5 . . ?
H12G C129 H12I 109.5 . . ?
H12H C129 H12I 109.5 . . ?
C127 C130 H13A 109.5 . . ?
C127 C130 H13B 109.5 . . ?
C127 C130 H13C 109.5 . . ?
H13A C130 H13B 109.5 . . ?
H13A C130 H13C 109.5 . . ?
H13B C130 H13C 109.5 . . ?
C132 C131 S14 119.8(8) . . ?
C136 C131 C132 118.5(9) . . ?
C136 C131 S14 121.7(8) . . ?
C131 C132 H132 119.9 . . ?
C133 C132 C131 120.2(11) . . ?
C133 C132 H132 119.9 . . ?
C132 C133 H133 119.7 . . ?
C134 C133 C132 120.7(11) . . ?
C134 C133 H133 119.7 . . ?
C133 C134 C135 122.7(9) . . ?
C133 C134 C137 119.5(10) . . ?
C135 C134 C137 117.5(10) . . ?
C134 C135 H135 122.0 . . ?
C134 C135 C136 116.1(9) . . ?
C136 C135 H135 121.9 . . ?
C131 C136 C135 121.7(10) . . ?
C131 C136 H136 119.1 . . ?
C135 C136 H136 119.1 . . ?
C138 C137 C134 107.5(9) . . ?
C138 C137 C140 109.3(10) . . ?
C139 C137 C134 104.7(8) . . ?
C139 C137 C138 118.3(9) . . ?
C139 C137 C140 107.6(10) . . ?
C140 C137 C134 109.0(9) . . ?
C137 C138 H13D 109.5 . . ?
C137 C138 H13E 109.5 . . ?
C137 C138 H13F 109.5 . . ?
H13D C138 H13E 109.5 . . ?
H13D C138 H13F 109.5 . . ?
H13E C138 H13F 109.5 . . ?
C137 C139 H13G 109.5 . . ?
C137 C139 H13H 109.5 . . ?
C137 C139 H13I 109.5 . . ?
H13G C139 H13H 109.5 . . ?
H13G C139 H13I 109.5 . . ?
H13H C139 H13I 109.5 . . ?
C137 C140 H14A 109.5 . . ?
C137 C140 H14B 109.5 . . ?
C137 C140 H14C 109.5 . . ?
H14A C140 H14B 109.5 . . ?
H14A C140 H14C 109.5 . . ?
H14B C140 H14C 109.5 . . ?
C142 C141 C146 120.4(9) . . ?
C142 C141 S15 121.2(7) . . ?
C146 C141 S15 118.4(7) . . ?
C141 C142 H142 119.7 . . ?
C141 C142 C143 120.6(10) . . ?
C143 C142 H142 119.7 . . ?
C142 C143 H143 120.7 . . ?
C144 C143 C142 118.6(9) . . ?
C144 C143 H143 120.7 . . ?
C143 C144 C147 116.3(9) . . ?
C145 C144 C143 120.7(9) . . ?
C145 C144 C147 122.9(8) . . ?
C144 C145 H145 119.9 . . ?
C146 C145 C144 120.1(9) . . ?
C146 C145 H145 119.9 . . ?
C141 C146 H146 120.2 . . ?
C145 C146 C141 119.5(9) . . ?
C145 C146 H146 120.2 . . ?
C144 C147 C149 109.9(8) . . ?
C148 C147 C144 113.0(8) . . ?
C148 C147 C149 112.3(9) . . ?
C148 C147 C150 107.5(8) . . ?
C150 C147 C144 108.5(8) . . ?
C150 C147 C149 105.3(9) . . ?
C147 C148 H14D 109.5 . . ?
C147 C148 H14E 109.5 . . ?
C147 C148 H14F 109.5 . . ?
H14D C148 H14E 109.5 . . ?
H14D C148 H14F 109.5 . . ?
H14E C148 H14F 109.5 . . ?
C147 C149 H14G 109.5 . . ?
C147 C149 H14H 109.5 . . ?
C147 C149 H14I 109.5 . . ?
H14G C149 H14H 109.5 . . ?
H14G C149 H14I 109.5 . . ?
H14H C149 H14I 109.5 . . ?
C147 C150 H15A 109.5 . . ?
C147 C150 H15B 109.5 . . ?
C147 C150 H15C 109.5 . . ?
H15A C150 H15B 109.5 . . ?
H15A C150 H15C 109.5 . . ?
H15B C150 H15C 109.5 . . ?
C152 C151 C156 120.0(8) . . ?
C152 C151 S16 119.3(7) . . ?
C156 C151 S16 120.6(7) . . ?
C151 C152 H152 118.9 . . ?
C151 C152 C153 122.2(9) . . ?
C153 C152 H152 118.9 . . ?
C152 C153 H153 121.4 . . ?
C154 C153 C152 117.2(9) . . ?
C154 C153 H153 121.4 . . ?
C153 C154 C155 124.7(9) . . ?
C153 C154 C157 122.3(9) . . ?
C155 C154 C157 112.9(9) . . ?
C154 C155 H155 123.3 . . ?
C154 C155 C156 113.4(8) . . ?
C156 C155 H155 123.3 . . ?
C151 C156 C155 122.3(8) . . ?
C151 C156 H156 118.9 . . ?
C155 C156 H156 118.9 . . ?
C158 C157 C154 108.4(10) . . ?
C158 C157 C159 108.6(10) . . ?
C158 C157 C160 104.6(10) . . ?
C159 C157 C154 111.5(8) . . ?
C160 C157 C154 110.7(9) . . ?
C160 C157 C159 112.7(10) . . ?
C157 C158 H15D 109.5 . . ?
C157 C158 H15E 109.5 . . ?
C157 C158 H15F 109.5 . . ?
H15D C158 H15E 109.5 . . ?
H15D C158 H15F 109.5 . . ?
H15E C158 H15F 109.5 . . ?
C157 C159 H15G 109.5 . . ?
C157 C159 H15H 109.5 . . ?
C157 C159 H15I 109.5 . . ?
H15G C159 H15H 109.5 . . ?
H15G C159 H15I 109.5 . . ?
H15H C159 H15I 109.5 . . ?
C157 C160 H16A 109.5 . . ?
C157 C160 H16B 109.5 . . ?
C157 C160 H16C 109.5 . . ?
H16A C160 H16B 109.5 . . ?
H16A C160 H16C 109.5 . . ?
H16B C160 H16C 109.5 . . ?
C162 C161 C166 122.7(8) . . ?
C162 C161 S17 118.5(7) . . ?
C166 C161 S17 118.6(6) . . ?
C161 C162 H162 120.6 . . ?
C161 C162 C163 118.8(8) . . ?
C163 C162 H162 120.6 . . ?
C162 C163 H163 119.6 . . ?
C162 C163 C164 120.9(9) . . ?
C164 C163 H163 119.6 . . ?
C163 C164 C167 118.5(9) . . ?
C165 C164 C163 118.8(9) . . ?
C165 C164 C167 122.7(10) . . ?
C164 C165 H165 119.3 . . ?
C164 C165 C166 121.5(9) . . ?
C166 C165 H165 119.3 . . ?
C161 C166 H166 121.4 . . ?
C165 C166 C161 117.3(9) . . ?
C165 C166 H166 121.4 . . ?
C168 C167 C164 113.0(9) . . ?
C168 C167 C169 111.5(9) . . ?
C168 C167 C170 109.4(11) . . ?
C169 C167 C164 108.8(9) . . ?
C169 C167 C170 109.1(9) . . ?
C170 C167 C164 104.8(9) . . ?
C167 C168 H16D 109.5 . . ?
C167 C168 H16E 109.5 . . ?
C167 C168 H16F 109.5 . . ?
H16D C168 H16E 109.5 . . ?
H16D C168 H16F 109.5 . . ?
H16E C168 H16F 109.5 . . ?
C167 C169 H16G 109.5 . . ?
C167 C169 H16H 109.5 . . ?
C167 C169 H16I 109.5 . . ?
H16G C169 H16H 109.5 . . ?
H16G C169 H16I 109.5 . . ?
H16H C169 H16I 109.5 . . ?
C167 C170 H17A 109.5 . . ?
C167 C170 H17B 109.5 . . ?
C167 C170 H17C 109.5 . . ?
H17A C170 H17B 109.5 . . ?
H17A C170 H17C 109.5 . . ?
H17B C170 H17C 109.5 . . ?
C172 C171 C176 123.7(8) . . ?
C172 C171 S18 119.3(7) . . ?
C176 C171 S18 116.9(6) . . ?
C171 C172 H172 122.2 . . ?
C171 C172 C173 115.7(8) . . ?
C173 C172 H172 122.2 . . ?
C172 C173 H173 118.0 . . ?
C174 C173 C172 124.1(9) . . ?
C174 C173 H173 118.0 . . ?
C173 C174 C175 116.2(9) . . ?
C173 C174 C177 120.5(8) . . ?
C175 C174 C177 123.2(9) . . ?
C174 C175 H175 117.8 . . ?
C174 C175 C176 124.4(9) . . ?
C176 C175 H175 117.8 . . ?
C171 C176 C175 115.7(8) . . ?
C171 C176 H176 122.1 . . ?
C175 C176 H176 122.1 . . ?
C174 C177 C178 108.5(8) . . ?
C174 C177 C179 109.6(8) . . ?
C174 C177 C180 110.0(8) . . ?
C179 C177 C178 111.4(9) . . ?
C180 C177 C178 106.1(8) . . ?
C180 C177 C179 111.2(9) . . ?
C177 C178 H17D 109.5 . . ?
C177 C178 H17E 109.5 . . ?
C177 C178 H17F 109.5 . . ?
H17D C178 H17E 109.5 . . ?
H17D C178 H17F 109.5 . . ?
H17E C178 H17F 109.5 . . ?
C177 C179 H17G 109.5 . . ?
C177 C179 H17H 109.5 . . ?
C177 C179 H17I 109.5 . . ?
H17G C179 H17H 109.5 . . ?
H17G C179 H17I 109.5 . . ?
H17H C179 H17I 109.5 . . ?
C177 C180 H18D 109.5 . . ?
C177 C180 H18E 109.5 . . ?
C177 C180 H18F 109.5 . . ?
H18D C180 H18E 109.5 . . ?
H18D C180 H18F 109.5 . . ?
H18E C180 H18F 109.5 . . ?
C182 C181 S19 120.1(6) . . ?
C186 C181 C182 118.0(9) . . ?
C186 C181 S19 121.9(8) . . ?
C181 C182 H182 120.3 . . ?
C183 C182 C181 119.3(9) . . ?
C183 C182 H182 120.3 . . ?
C182 C183 H183 119.9 . . ?
C184 C183 C182 120.2(10) . . ?
C184 C183 H183 119.9 . . ?
C183 C184 C185 117.9(10) . . ?
C183 C184 C187 118.2(10) . . ?
C185 C184 C187 123.9(10) . . ?
C184 C185 H185 119.4 . . ?
C186 C185 C184 121.2(9) . . ?
C186 C185 H185 119.4 . . ?
C181 C186 H186 118.4 . . ?
C185 C186 C181 123.2(10) . . ?
C185 C186 H186 118.4 . . ?
C188 C187 C184 104.2(9) . . ?
C189 C187 C184 105.5(9) . . ?
C189 C187 C188 111.7(9) . . ?
C190 C187 C184 108.3(9) . . ?
C190 C187 C188 108.6(9) . . ?
C190 C187 C189 117.6(10) . . ?
C187 C188 H18G 109.5 . . ?
C187 C188 H18H 109.5 . . ?
C187 C188 H18I 109.5 . . ?
H18G C188 H18H 109.5 . . ?
H18G C188 H18I 109.5 . . ?
H18H C188 H18I 109.5 . . ?
C187 C189 H18J 109.5 . . ?
C187 C189 H18K 109.5 . . ?
C187 C189 H18L 109.5 . . ?
H18J C189 H18K 109.5 . . ?
H18J C189 H18L 109.5 . . ?
H18K C189 H18L 109.5 . . ?
C187 C190 H19D 109.5 . . ?
C187 C190 H19E 109.5 . . ?
C187 C190 H19F 109.5 . . ?
H19D C190 H19E 109.5 . . ?
H19D C190 H19F 109.5 . . ?
H19E C190 H19F 109.5 . . ?
C192 C191 C196 119.8(8) . . ?
C192 C191 S20 124.9(7) . . ?
C196 C191 S20 115.3(6) . . ?
C191 C192 H192 119.2 . . ?
C191 C192 C193 121.6(10) . . ?
C193 C192 H192 119.2 . . ?
C192 C193 H193 120.7 . . ?
C192 C193 C194 118.5(10) . . ?
C194 C193 H193 120.7 . . ?
C193 C194 C197 115.6(8) . . ?
C195 C194 C193 120.7(9) . . ?
C195 C194 C197 123.6(9) . . ?
C194 C195 H195 119.9 . . ?
C194 C195 C196 120.2(9) . . ?
C196 C195 H195 119.9 . . ?
C191 C196 H196 120.4 . . ?
C195 C196 C191 119.1(8) . . ?
C195 C196 H196 120.4 . . ?
C198 C197 C194 114.0(10) . . ?
C198 C197 C199 114.4(10) . . ?
C199 C197 C194 105.5(8) . . ?
C200 C197 C194 105.1(9) . . ?
C200 C197 C198 107.9(10) . . ?
C200 C197 C199 109.5(11) . . ?
C197 C198 H19G 109.5 . . ?
C197 C198 H19H 109.5 . . ?
C197 C198 H19I 109.5 . . ?
H19G C198 H19H 109.5 . . ?
H19G C198 H19I 109.5 . . ?
H19H C198 H19I 109.5 . . ?
C197 C199 H19J 109.5 . . ?
C197 C199 H19K 109.5 . . ?
C197 C199 H19L 109.5 . . ?
H19J C199 H19K 109.5 . . ?
H19J C199 H19L 109.5 . . ?
H19K C199 H19L 109.5 . . ?
C197 C200 H20D 109.5 . . ?
C197 C200 H20E 109.5 . . ?
C197 C200 H20F 109.5 . . ?
H20D C200 H20E 109.5 . . ?
H20D C200 H20F 109.5 . . ?
H20E C200 H20F 109.5 . . ?
C202 C201 C206 120.7(9) . . ?
C202 C201 S21 121.7(8) . . ?
C206 C201 S21 117.5(7) . . ?
C201 C202 H202 119.3 . . ?
C203 C202 C201 121.5(10) . . ?
C203 C202 H202 119.3 . . ?
C202 C203 H203 120.0 . . ?
C202 C203 C204 119.9(10) . . ?
C204 C203 H203 120.0 . . ?
C203 C204 C207 116.6(9) . . ?
C205 C204 C203 117.9(9) . . ?
C205 C204 C207 125.1(9) . . ?
C204 C205 H205 118.7 . . ?
C204 C205 C206 122.6(10) . . ?
C206 C205 H205 118.7 . . ?
C201 C206 C205 117.0(9) . . ?
C201 C206 H206 121.5 . . ?
C205 C206 H206 121.5 . . ?
C204 C207 C209 110.8(9) . . ?
C208 C207 C204 113.3(9) . . ?
C208 C207 C209 114.0(9) . . ?
C210 C207 C204 105.9(8) . . ?
C210 C207 C208 109.8(10) . . ?
C210 C207 C209 102.2(9) . . ?
C207 C208 H20G 109.5 . . ?
C207 C208 H20H 109.5 . . ?
C207 C208 H20I 109.5 . . ?
H20G C208 H20H 109.5 . . ?
H20G C208 H20I 109.5 . . ?
H20H C208 H20I 109.5 . . ?
C207 C209 H20J 109.5 . . ?
C207 C209 H20K 109.5 . . ?
C207 C209 H20L 109.5 . . ?
H20J C209 H20K 109.5 . . ?
H20J C209 H20L 109.5 . . ?
H20K C209 H20L 109.5 . . ?
C207 C210 H21A 109.5 . . ?
C207 C210 H21B 109.5 . . ?
C207 C210 H21C 109.5 . . ?
H21A C210 H21B 109.5 . . ?
H21A C210 H21C 109.5 . . ?
H21B C210 H21C 109.5 . . ?
C212 C211 C216 119.8(9) . . ?
C212 C211 S22 120.4(7) . . ?
C216 C211 S22 119.3(7) . . ?
C211 C212 H212 119.2 . . ?
C213 C212 C211 121.6(9) . . ?
C213 C212 H212 119.2 . . ?
C212 C213 H213 120.4 . . ?
C212 C213 C214 119.3(9) . . ?
C214 C213 H213 120.4 . . ?
C213 C214 C217 119.9(9) . . ?
C215 C214 C213 117.8(9) . . ?
C215 C214 C217 122.2(8) . . ?
C214 C215 H215 118.5 . . ?
C214 C215 C216 122.9(9) . . ?
C216 C215 H215 118.5 . . ?
C211 C216 H216 121.1 . . ?
C215 C216 C211 117.7(9) . . ?
C215 C216 H216 121.1 . . ?
C218 C217 C214 109.3(8) . . ?
C218 C217 C219 112.4(9) . . ?
C219 C217 C214 109.7(9) . . ?
C220 C217 C214 109.1(9) . . ?
C220 C217 C218 108.1(10) . . ?
C220 C217 C219 108.1(9) . . ?
C217 C218 H21D 109.5 . . ?
C217 C218 H21E 109.5 . . ?
C217 C218 H21F 109.5 . . ?
H21D C218 H21E 109.5 . . ?
H21D C218 H21F 109.5 . . ?
H21E C218 H21F 109.5 . . ?
C217 C219 H21G 109.5 . . ?
C217 C219 H21H 109.5 . . ?
C217 C219 H21I 109.5 . . ?
H21G C219 H21H 109.5 . . ?
H21G C219 H21I 109.5 . . ?
H21H C219 H21I 109.5 . . ?
C217 C220 H22A 109.5 . . ?
C217 C220 H22B 109.5 . . ?
C217 C220 H22C 109.5 . . ?
H22A C220 H22B 109.5 . . ?
H22A C220 H22C 109.5 . . ?
H22B C220 H22C 109.5 . . ?
C222 C221 S23 118.2(8) . . ?
C226 C221 C222 120.8(9) . . ?
C226 C221 S23 121.0(9) . . ?
C221 C222 H222 122.2 . . ?
C223 C222 C221 115.6(9) . . ?
C223 C222 H222 122.2 . . ?
C222 C223 H223 118.6 . . ?
C224 C223 C222 122.9(9) . . ?
C224 C223 H223 118.6 . . ?
C223 C224 C225 120.8(8) . . ?
C223 C224 C227 120.2(8) . . ?
C225 C224 C227 119.1(8) . . ?
C224 C225 H225 120.0 . . ?
C224 C225 C226 120.0(8) . . ?
C226 C225 H225 120.0 . . ?
C221 C226 C225 119.9(9) . . ?
C221 C226 H226 120.1 . . ?
C225 C226 H226 120.1 . . ?
C228 C227 C224 112.2(7) . . ?
C228 C227 C230 112.8(8) . . ?
C229 C227 C224 108.1(8) . . ?
C229 C227 C228 114.4(8) . . ?
C229 C227 C230 104.9(8) . . ?
C230 C227 C224 103.6(8) . . ?
C227 C228 H22D 109.5 . . ?
C227 C228 H22E 109.5 . . ?
C227 C228 H22F 109.5 . . ?
H22D C228 H22E 109.5 . . ?
H22D C228 H22F 109.5 . . ?
H22E C228 H22F 109.5 . . ?
C227 C229 H22G 109.5 . . ?
C227 C229 H22H 109.5 . . ?
C227 C229 H22I 109.5 . . ?
H22G C229 H22H 109.5 . . ?
H22G C229 H22I 109.5 . . ?
H22H C229 H22I 109.5 . . ?
C227 C230 H23A 109.5 . . ?
C227 C230 H23B 109.5 . . ?
C227 C230 H23C 109.5 . . ?
H23A C230 H23B 109.5 . . ?
H23A C230 H23C 109.5 . . ?
H23B C230 H23C 109.5 . . ?
C232 C231 C236 121.2(8) . . ?
C232 C231 S24 113.6(6) . . ?
C236 C231 S24 125.2(7) . . ?
C231 C232 H232 120.4 . . ?
C231 C232 C233 119.2(9) . . ?
C233 C232 H232 120.4 . . ?
C232 C233 H233 119.6 . . ?
C232 C233 C234 120.8(9) . . ?
C234 C233 H233 119.6 . . ?
C233 C234 C237 121.1(9) . . ?
C235 C234 C233 120.6(9) . . ?
C235 C234 C237 118.2(8) . . ?
C234 C235 H235 120.3 . . ?
C234 C235 C236 119.5(8) . . ?
C236 C235 H235 120.3 . . ?
C231 C236 C235 118.5(8) . . ?
C231 C236 H236 120.8 . . ?
C235 C236 H236 120.8 . . ?
C238 C237 C234 108.9(8) . . ?
C239 C237 C234 110.3(8) . . ?
C239 C237 C238 107.6(8) . . ?
C239 C237 C240 110.2(8) . . ?
C240 C237 C234 110.2(8) . . ?
C240 C237 C238 109.7(9) . . ?
C237 C238 H23D 109.5 . . ?
C237 C238 H23E 109.5 . . ?
C237 C238 H23F 109.5 . . ?
H23D C238 H23E 109.5 . . ?
H23D C238 H23F 109.5 . . ?
H23E C238 H23F 109.5 . . ?
C237 C239 H23G 109.5 . . ?
C237 C239 H23H 109.5 . . ?
C237 C239 H23I 109.5 . . ?
H23G C239 H23H 109.5 . . ?
H23G C239 H23I 109.5 . . ?
H23H C239 H23I 109.5 . . ?
C237 C240 H24A 109.5 . . ?
C237 C240 H24B 109.5 . . ?
C237 C240 H24C 109.5 . . ?
H24A C240 H24B 109.5 . . ?
H24A C240 H24C 109.5 . . ?
H24B C240 H24C 109.5 . . ?
C1 S1 Au12 110.8(3) . . ?
C1 S1 Au30 108.1(3) . . ?
C1 S1 Ag12 110.8(3) . . ?
C11 S2 Au11 108.4(4) . . ?
C11 S2 Au12 109.6(3) . . ?
C11 S2 Ag11 108.4(4) . . ?
C11 S2 Ag12 109.6(3) . . ?
C21 S3 Au1 109.3(3) . . ?
C21 S3 Au11 106.9(3) . . ?
C21 S3 Ag1 109.3(3) . . ?
C21 S3 Ag11 106.9(3) . . ?
Au25 S4 Au27 87.70(8) . . ?
C31 S4 Au25 107.9(3) . . ?
C31 S4 Au27 114.8(3) . . ?
Au26 S5 Au25 97.44(8) . . ?
C41 S5 Au25 106.7(3) . . ?
C41 S5 Au26 102.8(3) . . ?
Au26 S6 Au29 90.24(7) . . ?
C51 S6 Au26 96.7(3) . . ?
C51 S6 Au29 111.4(3) . . ?
Au13 S7 Au32 90.20(7) . . ?
C61 S7 Au13 103.5(4) . . ?
C61 S7 Au32 110.2(3) . . ?
Au13 S8 Au14 97.02(8) . . ?
C71 S8 Au13 105.6(3) . . ?
C71 S8 Au14 109.2(3) . . ?
Au14 S9 Au34 90.01(7) . . ?
C81 S9 Au14 112.9(3) . . ?
C81 S9 Au34 114.8(3) . . ?
Au20 S10 Au23 89.25(7) . . ?
C91 S10 Au20 95.0(3) . . ?
C91 S10 Au23 111.1(3) . . ?
Au17 S11 Au20 93.94(8) . . ?
C101 S11 Au17 109.2(3) . . ?
C101 S11 Au20 103.8(3) . . ?
Au17 S12 Au15 89.32(7) . . ?
C111 S12 Au15 116.3(3) . . ?
C111 S12 Au17 111.2(3) . . ?
C121 S13 Au4 112.3(3) . . ?
C121 S13 Au9 108.4(3) . . ?
C121 S13 Ag4 112.3(3) . . ?
C121 S13 Ag9 108.4(3) . . ?
C131 S14 Au9 99.8(3) . . ?
C131 S14 Au10 109.9(4) . . ?
C131 S14 Ag9 99.8(3) . . ?
C131 S14 Ag10 109.9(4) . . ?
C141 S15 Au10 110.7(3) . . ?
C141 S15 Au21 111.8(3) . . ?
C141 S15 Ag10 110.7(3) . . ?
C151 S16 Au6 110.4(3) . . ?
C151 S16 Au18 108.9(3) . . ?
C151 S16 Ag6 110.4(3) . . ?
C161 S17 Au5 103.7(3) . . ?
C161 S17 Au6 109.7(3) . . ?
C161 S17 Ag6 109.7(3) . . ?
C161 S17 Ag5 103.7(3) . . ?
C171 S18 Au2 112.5(2) . . ?
C171 S18 Au5 106.7(3) . . ?
C171 S18 Ag5 106.7(3) . . ?
C171 S18 Ag2 112.5(2) . . ?
Au22 S19 Au24 89.32(7) . . ?
C181 S19 Au22 108.9(3) . . ?
C181 S19 Au24 119.4(3) . . ?
Au19 S20 Au22 98.59(9) . . ?
C191 S20 Au19 107.7(3) . . ?
C191 S20 Au22 104.3(3) . . ?
Au19 S21 Au16 89.68(7) . . ?
C201 S21 Au16 112.6(3) . . ?
C201 S21 Au19 105.3(3) . . ?
C211 S22 Au3 116.1(3) . . ?
C211 S22 Au7 106.8(3) . . ?
C211 S22 Ag7 106.8(3) . . ?
C211 S22 Ag3 116.1(3) . . ?
C221 S23 Au7 106.4(4) . . ?
C221 S23 Au8 108.0(4) . . ?
C221 S23 Ag7 106.4(4) . . ?
C221 S23 Ag8 108.0(4) . . ?
C231 S24 Au8 108.8(3) . . ?
C231 S24 Au31 107.4(3) . . ?
C231 S24 Ag8 108.8(3) . . ?
S1 AG12z S2 169.94(8) . . ?
S1 AU12z S2 169.94(8) . . ?
S3 AU1z Au17 103.44(6) . . ?
S3 AG1z Au17 103.44(6) . . ?
S3 AU1z Au20 98.87(5) . . ?
S3 AG1z Au20 98.87(5) . . ?
S3 AG1z Au27 126.62(6) . . ?
S3 AU1z Au27 126.62(6) . . ?
S3 AG1z Au32 132.13(6) . . ?
S3 AU1z Au32 132.13(6) . . ?
S3 AG1z Au35 166.96(6) . . ?
S3 AU1z Au35 166.96(6) . . ?
S3 AU11z S2 174.56(8) . . ?
S3 AG11z S2 174.56(8) . . ?
S13 AU4z Au23 132.49(5) . . ?
S13 AG4z Au23 132.49(5) . . ?
S13 AG4z Au24 127.97(6) . . ?
S13 AU4z Au24 127.97(6) . . ?
S13 AG4z Au25 101.77(6) . . ?
S13 AU4z Au25 101.77(6) . . ?
S13 AG4z Au26 94.94(5) . . ?
S13 AU4z Au26 94.94(5) . . ?
S13 AU4z Au28 165.92(6) . . ?
S13 AG4z Au28 165.92(6) . . ?
S14 AU10z Au24 106.08(6) . . ?
S14 AG10z Au24 106.08(6) . . ?
S14 AG9z S13 171.50(8) . . ?
S14 AU9z S13 171.50(8) . . ?
S15 AU10z Au24 84.31(5) . . ?
S15 AG10z Au24 84.31(5) . . ?
S15 AU10z S14 168.55(8) . . ?
S15 AG10z S14 168.55(8) . . ?
S16 AG6z Au15 88.69(5) . . ?
S16 AU6z Au15 88.69(5) . . ?
S16 AU6z S17 169.47(8) . . ?
S16 AG6z S17 169.47(8) . . ?
S17 AG6z Au15 101.68(6) . . ?
S17 AU6z Au15 101.68(6) . . ?
S18 AG2z Au13 93.99(6) . . ?
S18 AU2z Au13 93.99(6) . . ?
S18 AU2z Au14 100.11(6) . . ?
S18 AG2z Au14 100.11(6) . . ?
S18 AG2z Au15 128.38(6) . . ?
S18 AU2z Au15 128.38(6) . . ?
S18 AU2z Au16 132.70(6) . . ?
S18 AG2z Au16 132.70(6) . . ?
S18 AU2z Au33 165.42(6) . . ?
S18 AG2z Au33 165.42(6) . . ?
S18 AU5z S17 175.79(8) . . ?
S18 AG5z S17 175.79(8) . . ?
S22 AU3z Au19 95.90(6) . . ?
S22 AG3z Au19 95.90(6) . . ?
S22 AG3z Au22 104.15(6) . . ?
S22 AU3z Au22 104.15(6) . . ?
S22 AG3z Au29 134.01(6) . . ?
S22 AU3z Au29 134.01(6) . . ?
S22 AG3z Au34 127.13(6) . . ?
S22 AU3z Au34 127.13(6) . . ?
S22 AU3z Au36 165.61(6) . . ?
S22 AG3z Au36 165.61(6) . . ?
S22 AG7z S23 175.35(9) . . ?
S22 AU7z S23 175.35(9) . . ?
S24 AU8z S23 171.19(8) . . ?
S24 AG8z S23 171.19(8) . . ?

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
C1 C2 C3 C4 1.2(12) . . . . ?
C2 C1 C6 C5 -4.3(13) . . . . ?
C2 C1 S1 AG12z 15.6(7) . . . . ?
C2 C1 S1 AU12z 15.6(7) . . . . ?
C2 C1 S1 Au30 -100.1(7) . . . . ?
C6 C1 S1 AU12z -167.9(6) . . . . ?
C2 C3 C4 C5 -4.7(15) . . . . ?
C2 C3 C4 C7 -179.5(8) . . . . ?
C3 C4 C5 C6 3.6(16) . . . . ?
C3 C4 C7 C8 -13.7(13) . . . . ?
C3 C4 C7 C9 -129.5(9) . . . . ?
C6 C1 S1 AG12z -167.9(6) . . . . ?
C3 C4 C7 C10 107.1(11) . . . . ?
C4 C5 C6 C1 0.9(14) . . . . ?
C5 C4 C7 C8 171.1(10) . . . . ?
C5 C4 C7 C9 55.3(12) . . . . ?
C5 C4 C7 C10 -68.1(12) . . . . ?
C6 C1 C2 C3 3.3(13) . . . . ?
C6 C1 S1 Au30 76.4(7) . . . . ?
C7 C4 C5 C6 178.5(9) . . . . ?
C12 C11 S2 AG11z 134.9(9) . . . . ?
C12 C11 S2 AU11z 134.9(9) . . . . ?
C12 C11 S2 AU12z 28.1(10) . . . . ?
C11 C12 C13 C14 5.4(15) . . . . ?
C12 C11 C16 C15 5.0(17) . . . . ?
C12 C11 S2 AG12z 28.1(10) . . . . ?
C12 C13 C14 C15 -3.0(16) . . . . ?
C12 C13 C14 C17 177.7(10) . . . . ?
C13 C14 C15 C16 1.8(18) . . . . ?
C13 C14 C17 C18 -139.4(10) . . . . ?
C13 C14 C17 C19 107.0(11) . . . . ?
C13 C14 C17 C20 -18.9(15) . . . . ?
C14 C15 C16 C11 -2.8(19) . . . . ?
C15 C14 C17 C18 41.3(15) . . . . ?
C15 C14 C17 C19 -72.3(14) . . . . ?
C15 C14 C17 C20 161.8(11) . . . . ?
C16 C11 C12 C13 -6.3(16) . . . . ?
C16 C11 S2 AU12z -149.0(9) . . . . ?
C16 C11 S2 AG12z -149.0(9) . . . . ?
C16 C11 S2 AG11z -42.2(10) . . . . ?
C16 C11 S2 AU11z -42.2(10) . . . . ?
C17 C14 C15 C16 -178.9(11) . . . . ?
C21 C22 C23 C24 3.4(17) . . . . ?
C22 C21 C26 C25 1.1(14) . . . . ?
C22 C21 S3 AG1z -84.8(9) . . . . ?
C22 C21 S3 AU1z -84.8(9) . . . . ?
C22 C21 S3 AU11z -168.1(8) . . . . ?
C22 C21 S3 AG11z -168.1(8) . . . . ?
C26 C21 S3 AU11z 13.1(8) . . . . ?
C26 C21 S3 AU1z 96.4(8) . . . . ?
C26 C21 S3 AG1z 96.4(8) . . . . ?
C22 C23 C24 C25 -3.0(16) . . . . ?
C22 C23 C24 C27 176.2(10) . . . . ?
C23 C24 C25 C26 1.8(15) . . . . ?
C23 C24 C27 C28 73.5(12) . . . . ?
C23 C24 C27 C29 -43.5(14) . . . . ?
C23 C24 C27 C30 -168.3(10) . . . . ?
C24 C25 C26 C21 -0.8(14) . . . . ?
C25 C24 C27 C28 -107.3(11) . . . . ?
C25 C24 C27 C29 135.7(10) . . . . ?
C25 C24 C27 C30 10.8(14) . . . . ?
C26 C21 C22 C23 -2.4(16) . . . . ?
C26 C21 S3 AG11z 13.1(8) . . . . ?
C27 C24 C25 C26 -177.4(9) . . . . ?
C31 C32 C33 C34 3.4(16) . . . . ?
C32 C31 C36 C35 -0.4(14) . . . . ?
C32 C31 S4 Au25 -161.8(6) . . . . ?
C32 C31 S4 Au27 -65.9(7) . . . . ?
C32 C33 C34 C35 -0.6(16) . . . . ?
C32 C33 C34 C37 177.9(10) . . . . ?
C33 C34 C35 C36 -2.6(14) . . . . ?
C33 C34 C37 C38 16.8(14) . . . . ?
C33 C34 C37 C39 -103.6(11) . . . . ?
C33 C34 C37 C40 134.8(10) . . . . ?
C34 C35 C36 C31 3.1(15) . . . . ?
C35 C34 C37 C38 -164.8(8) . . . . ?
C35 C34 C37 C39 74.8(10) . . . . ?
C35 C34 C37 C40 -46.8(12) . . . . ?
C36 C31 C32 C33 -2.8(13) . . . . ?
C36 C31 S4 Au25 21.7(7) . . . . ?
C36 C31 S4 Au27 117.6(7) . . . . ?
C37 C34 C35 C36 178.8(9) . . . . ?
C41 C42 C43 C44 2.8(14) . . . . ?
C42 C41 C46 C45 12.0(14) . . . . ?
C42 C41 S5 Au25 -7.4(9) . . . . ?
C42 C41 S5 Au26 -109.3(8) . . . . ?
C42 C43 C44 C45 -3.9(16) . . . . ?
C42 C43 C44 C47 -177.4(9) . . . . ?
C43 C44 C45 C46 8.9(17) . . . . ?
C43 C44 C47 C48 -16.0(13) . . . . ?
C43 C44 C47 C49 -132.5(10) . . . . ?
C43 C44 C47 C50 109.7(11) . . . . ?
C44 C45 C46 C41 -12.8(15) . . . . ?
C45 C44 C47 C48 170.1(10) . . . . ?
C45 C44 C47 C49 53.5(14) . . . . ?
C45 C44 C47 C50 -64.2(14) . . . . ?
C46 C41 C42 C43 -7.2(14) . . . . ?
C46 C41 S5 Au25 -175.6(6) . . . . ?
C46 C41 S5 Au26 82.4(7) . . . . ?
C47 C44 C45 C46 -177.7(9) . . . . ?
C51 C52 C53 C54 1.9(17) . . . . ?
C52 C51 C56 C55 -0.2(14) . . . . ?
C52 C51 S6 Au26 19.7(9) . . . . ?
C52 C51 S6 Au29 112.6(8) . . . . ?
C52 C53 C54 C55 -0.1(17) . . . . ?
C52 C53 C54 C57 177.5(9) . . . . ?
C53 C54 C55 C56 -1.6(14) . . . . ?
C53 C54 C57 C58 4.5(12) . . . . ?
C53 C54 C57 C59 122.3(10) . . . . ?
C53 C54 C57 C60 -109.2(12) . . . . ?
C54 C55 C56 C51 1.7(13) . . . . ?
C55 C54 C57 C58 -177.6(8) . . . . ?
C55 C54 C57 C59 -59.8(11) . . . . ?
C55 C54 C57 C60 68.7(11) . . . . ?
C56 C51 C52 C53 -1.7(16) . . . . ?
C56 C51 S6 Au26 -163.5(6) . . . . ?
C56 C51 S6 Au29 -70.6(7) . . . . ?
C57 C54 C55 C56 -179.4(8) . . . . ?
C61 C62 C63 C64 1.1(13) . . . . ?
C62 C61 C66 C65 -1.4(15) . . . . ?
C62 C61 S7 Au13 -145.1(7) . . . . ?
C62 C61 S7 Au32 -49.8(8) . . . . ?
C62 C63 C64 C65 -1.4(15) . . . . ?
C62 C63 C64 C67 -178.2(8) . . . . ?
C63 C64 C65 C66 0.3(15) . . . . ?
C63 C64 C67 C68 106.0(11) . . . . ?
C63 C64 C67 C69 -131.6(10) . . . . ?
C63 C64 C67 C70 -16.0(13) . . . . ?
C64 C65 C66 C61 1.1(13) . . . . ?
C65 C64 C67 C68 -71.0(12) . . . . ?
C65 C64 C67 C69 51.3(12) . . . . ?
C65 C64 C67 C70 167.0(9) . . . . ?
C66 C61 C62 C63 0.4(14) . . . . ?
C66 C61 S7 Au13 35.9(8) . . . . ?
C66 C61 S7 Au32 131.2(7) . . . . ?
C67 C64 C65 C66 177.2(8) . . . . ?
C71 C72 C73 C74 -0.1(17) . . . . ?
C72 C71 C76 C75 -6.6(13) . . . . ?
C72 C71 S8 Au13 74.7(8) . . . . ?
C72 C71 S8 Au14 178.1(7) . . . . ?
C72 C73 C74 C75 -4.4(18) . . . . ?
C72 C73 C74 C77 -179.3(10) . . . . ?
C73 C74 C75 C76 3.3(16) . . . . ?
C73 C74 C77 C78 -14.3(15) . . . . ?
C73 C74 C77 C79 106.0(13) . . . . ?
C73 C74 C77 C80 -132.5(11) . . . . ?
C74 C75 C76 C71 2.6(14) . . . . ?
C75 C74 C77 C78 170.6(10) . . . . ?
C75 C74 C77 C79 -69.1(14) . . . . ?
C75 C74 C77 C80 52.4(13) . . . . ?
C76 C71 C72 C73 5.4(15) . . . . ?
C76 C71 S8 Au13 -116.2(7) . . . . ?
C76 C71 S8 Au14 -12.7(8) . . . . ?
C77 C74 C75 C76 178.1(9) . . . . ?
C81 C82 C83 C84 3.0(15) . . . . ?
C82 C81 C86 C85 4.8(15) . . . . ?
C82 C81 S9 Au14 12.5(7) . . . . ?
C82 C81 S9 Au34 113.7(7) . . . . ?
C82 C83 C84 C85 -1.1(15) . . . . ?
C82 C83 C84 C87 179.5(9) . . . . ?
C83 C84 C85 C86 0.9(15) . . . . ?
C83 C84 C87 C88 -12.7(14) . . . . ?
C83 C84 C87 C89 108.4(11) . . . . ?
C83 C84 C87 C90 -133.1(10) . . . . ?
C84 C85 C86 C81 -2.6(15) . . . . ?
C85 C84 C87 C88 167.9(9) . . . . ?
C85 C84 C87 C89 -71.0(12) . . . . ?
C85 C84 C87 C90 47.5(12) . . . . ?
C86 C81 C82 C83 -4.9(14) . . . . ?
C86 C81 S9 Au14 -165.0(7) . . . . ?
C86 C81 S9 Au34 -63.8(8) . . . . ?
C87 C84 C85 C86 -179.7(9) . . . . ?
C91 C92 C93 C94 -0.1(14) . . . . ?
C92 C91 C96 C95 -3.3(14) . . . . ?
C92 C91 S10 Au20 149.9(7) . . . . ?
C92 C91 S10 Au23 58.8(8) . . . . ?
C92 C93 C94 C95 -0.8(15) . . . . ?
C92 C93 C94 C97 176.7(9) . . . . ?
C93 C94 C95 C96 -0.3(15) . . . . ?
C93 C94 C97 C98 173.0(9) . . . . ?
C93 C94 C97 C99 52.7(12) . . . . ?
C93 C94 C97 C100 -69.5(13) . . . . ?
C94 C95 C96 C91 2.3(15) . . . . ?
C95 C94 C97 C98 -9.5(13) . . . . ?
C95 C94 C97 C99 -129.7(10) . . . . ?
C95 C94 C97 C100 108.1(11) . . . . ?
C96 C91 C92 C93 2.1(14) . . . . ?
C96 C91 S10 Au20 -37.5(8) . . . . ?
C96 C91 S10 Au23 -128.6(7) . . . . ?
C97 C94 C95 C96 -177.9(9) . . . . ?
C101 C102 C103 C104 1.7(14) . . . . ?
C102 C101 C106 C105 3.3(13) . . . . ?
C102 C101 S11 Au17 -164.3(6) . . . . ?
C102 C101 S11 Au20 -65.1(8) . . . . ?
C102 C103 C104 C105 -1.5(15) . . . . ?
C102 C103 C104 C107 179.7(9) . . . . ?
C103 C104 C105 C106 2.4(15) . . . . ?
C103 C104 C107 C108 -13.8(15) . . . . ?
C103 C104 C107 C109 99.9(12) . . . . ?
C103 C104 C107 C110 -134.6(11) . . . . ?
C104 C105 C106 C101 -3.5(14) . . . . ?
C105 C104 C107 C108 167.4(10) . . . . ?
C105 C104 C107 C109 -78.9(14) . . . . ?
C105 C104 C107 C110 46.6(15) . . . . ?
C106 C101 C102 C103 -2.6(14) . . . . ?
C106 C101 S11 Au17 22.8(9) . . . . ?
C106 C101 S11 Au20 122.1(8) . . . . ?
C107 C104 C105 C106 -178.8(9) . . . . ?
C111 C112 C113 C114 -1.1(14) . . . . ?
C112 C111 C116 C115 -1.5(14) . . . . ?
C112 C111 S12 Au15 -112.0(7) . . . . ?
C112 C111 S12 Au17 -11.7(8) . . . . ?
C112 C113 C114 C115 0.6(14) . . . . ?
C112 C113 C114 C117 -179.9(8) . . . . ?
C113 C114 C115 C116 -0.6(16) . . . . ?
C113 C114 C117 C118 104.6(13) . . . . ?
C113 C114 C117 C119 -10.0(13) . . . . ?
C113 C114 C117 C120 -130.8(12) . . . . ?
C114 C115 C116 C111 1.0(15) . . . . ?
C115 C114 C117 C118 -75.8(14) . . . . ?
C115 C114 C117 C119 169.5(10) . . . . ?
C115 C114 C117 C120 48.7(13) . . . . ?
C116 C111 C112 C113 1.6(14) . . . . ?
C116 C111 S12 Au15 68.3(7) . . . . ?
C116 C111 S12 Au17 168.6(6) . . . . ?
C117 C114 C115 C116 179.9(9) . . . . ?
C121 C122 C123 C124 -1.7(14) . . . . ?
C122 C121 C126 C125 -0.2(14) . . . . ?
C122 C121 S13 AG4z 100.8(7) . . . . ?
C122 C121 S13 AU4z 100.8(7) . . . . ?
C122 C121 S13 AU9z -176.8(6) . . . . ?
C122 C121 S13 AG9z -176.8(6) . . . . ?
C126 C121 S13 AG9z 4.1(8) . . . . ?
C122 C123 C124 C125 1.5(15) . . . . ?
C126 C121 S13 AU4z -78.3(7) . . . . ?
C122 C123 C124 C127 -176.1(9) . . . . ?
C126 C121 S13 AG4z -78.3(7) . . . . ?
C126 C121 S13 AU9z 4.1(8) . . . . ?
C123 C124 C125 C126 -0.8(15) . . . . ?
C123 C124 C127 C128 -16.8(14) . . . . ?
C123 C124 C127 C129 107.7(11) . . . . ?
C123 C124 C127 C130 -133.9(9) . . . . ?
C124 C125 C126 C121 0.1(15) . . . . ?
C125 C124 C127 C128 165.6(10) . . . . ?
C125 C124 C127 C129 -69.9(12) . . . . ?
C125 C124 C127 C130 48.5(13) . . . . ?
C126 C121 C122 C123 1.0(14) . . . . ?
C127 C124 C125 C126 176.8(9) . . . . ?
C132 C131 S14 AU9z 54.2(8) . . . . ?
C132 C131 S14 AG10z 156.6(7) . . . . ?
C132 C131 S14 AU10z 156.6(7) . . . . ?
C132 C131 S14 AG9z 54.2(8) . . . . ?
C136 C131 S14 AG10z -25.6(9) . . . . ?
C136 C131 S14 AU10z -25.6(9) . . . . ?
C136 C131 S14 AU9z -128.0(8) . . . . ?
C136 C131 S14 AG9z -128.0(8) . . . . ?
C131 C132 C133 C134 0.7(18) . . . . ?
C132 C131 C136 C135 0.4(15) . . . . ?
C132 C133 C134 C135 2.7(18) . . . . ?
C132 C133 C134 C137 176.8(10) . . . . ?
C133 C134 C135 C136 -4.4(16) . . . . ?
C133 C134 C137 C138 -67.3(13) . . . . ?
C133 C134 C137 C139 59.4(13) . . . . ?
C133 C134 C137 C140 174.4(11) . . . . ?
C134 C135 C136 C131 2.7(15) . . . . ?
C135 C134 C137 C138 107.1(11) . . . . ?
C135 C134 C137 C139 -126.2(10) . . . . ?
C135 C134 C137 C140 -11.3(13) . . . . ?
C136 C131 C132 C133 -2.2(15) . . . . ?
C137 C134 C135 C136 -178.5(9) . . . . ?
C141 C142 C143 C144 0.9(17) . . . . ?
C142 C141 C146 C145 0.1(15) . . . . ?
C142 C141 S15 AU10z 2.5(9) . . . . ?
C142 C141 S15 AG10z 2.5(9) . . . . ?
C142 C141 S15 Au21 125.0(8) . . . . ?
C146 C141 S15 AU10z -177.1(7) . . . . ?
C146 C141 S15 AG10z -177.1(7) . . . . ?
C142 C143 C144 C145 -0.9(16) . . . . ?
C142 C143 C144 C147 -178.0(10) . . . . ?
C143 C144 C145 C146 0.5(16) . . . . ?
C143 C144 C147 C148 -16.0(13) . . . . ?
C143 C144 C147 C149 110.3(11) . . . . ?
C143 C144 C147 C150 -135.1(10) . . . . ?
C144 C145 C146 C141 -0.1(15) . . . . ?
C145 C144 C147 C148 167.0(10) . . . . ?
C145 C144 C147 C149 -66.7(13) . . . . ?
C145 C144 C147 C150 47.9(14) . . . . ?
C146 C141 C142 C143 -0.5(16) . . . . ?
C146 C141 S15 Au21 -54.6(8) . . . . ?
C147 C144 C145 C146 177.4(10) . . . . ?
C151 C152 C153 C154 2.3(15) . . . . ?
C152 C151 C156 C155 -4.1(14) . . . . ?
C152 C151 S16 AU6z 172.5(6) . . . . ?
C152 C151 S16 AG6z 172.5(6) . . . . ?
C152 C151 S16 Au18 -73.8(7) . . . . ?
C152 C153 C154 C155 -1.7(16) . . . . ?
C152 C153 C154 C157 176.6(9) . . . . ?
C153 C154 C155 C156 -1.5(15) . . . . ?
C153 C154 C157 C158 -11.3(14) . . . . ?
C153 C154 C157 C159 -130.8(12) . . . . ?
C153 C154 C157 C160 102.9(13) . . . . ?
C154 C155 C156 C151 4.5(13) . . . . ?
C155 C154 C157 C158 167.1(10) . . . . ?
C155 C154 C157 C159 47.6(12) . . . . ?
C155 C154 C157 C160 -78.7(12) . . . . ?
C156 C151 C152 C153 0.5(14) . . . . ?
C156 C151 S16 AU6z -10.8(8) . . . . ?
C156 C151 S16 AG6z -10.8(8) . . . . ?
C156 C151 S16 Au18 103.0(7) . . . . ?
C157 C154 C155 C156 -179.9(8) . . . . ?
C162 C161 S17 AG6z -34.8(7) . . . . ?
C162 C161 S17 AU5z -141.8(6) . . . . ?
C161 C162 C163 C164 0.0(13) . . . . ?
C162 C161 C166 C165 3.4(13) . . . . ?
C162 C161 S17 AU6z -34.8(7) . . . . ?
C162 C161 S17 AG5z -141.8(6) . . . . ?
C166 C161 S17 AU5z 42.5(7) . . . . ?
C166 C161 S17 AU6z 149.5(6) . . . . ?
C166 C161 S17 AG6z 149.5(6) . . . . ?
C166 C161 S17 AG5z 42.5(7) . . . . ?
C162 C163 C164 C165 -1.2(14) . . . . ?
C162 C163 C164 C167 179.9(9) . . . . ?
C163 C164 C165 C166 3.5(15) . . . . ?
C163 C164 C167 C168 21.8(13) . . . . ?
C163 C164 C167 C169 -102.5(11) . . . . ?
C163 C164 C167 C170 140.9(10) . . . . ?
C164 C165 C166 C161 -4.5(14) . . . . ?
C165 C164 C167 C168 -157.1(10) . . . . ?
C165 C164 C167 C169 78.6(12) . . . . ?
C165 C164 C167 C170 -38.0(14) . . . . ?
C166 C161 C162 C163 -1.2(13) . . . . ?
C167 C164 C165 C166 -177.6(9) . . . . ?
C171 C172 C173 C174 -3.4(14) . . . . ?
C172 C171 C176 C175 3.5(14) . . . . ?
C172 C171 S18 AG2z -71.2(7) . . . . ?
C172 C171 S18 AU2z -71.2(7) . . . . ?
C172 C171 S18 AU5z 11.0(7) . . . . ?
C172 C171 S18 AG5z 11.0(7) . . . . ?
C176 C171 S18 AG5z -164.9(6) . . . . ?
C176 C171 S18 AU2z 113.0(6) . . . . ?
C176 C171 S18 AG2z 113.0(6) . . . . ?
C176 C171 S18 AU5z -164.9(6) . . . . ?
C172 C173 C174 C175 2.4(14) . . . . ?
C172 C173 C174 C177 -176.5(8) . . . . ?
C173 C174 C175 C176 2.0(15) . . . . ?
C173 C174 C177 C178 49.9(12) . . . . ?
C173 C174 C177 C179 -72.0(12) . . . . ?
C173 C174 C177 C180 165.6(9) . . . . ?
C174 C175 C176 C171 -4.8(15) . . . . ?
C175 C174 C177 C178 -128.9(10) . . . . ?
C175 C174 C177 C179 109.2(11) . . . . ?
C175 C174 C177 C180 -13.3(13) . . . . ?
C176 C171 C172 C173 0.3(13) . . . . ?
C177 C174 C175 C176 -179.1(9) . . . . ?
C181 C182 C183 C184 -2.5(14) . . . . ?
C182 C181 C186 C185 -2.8(15) . . . . ?
C182 C181 S19 Au22 2.9(8) . . . . ?
C182 C181 S19 Au24 -97.4(7) . . . . ?
C182 C183 C184 C185 1.3(15) . . . . ?
C182 C183 C184 C187 -178.4(9) . . . . ?
C183 C184 C185 C186 -0.9(17) . . . . ?
C183 C184 C187 C188 153.7(10) . . . . ?
C183 C184 C187 C189 -88.5(13) . . . . ?
C183 C184 C187 C190 38.2(13) . . . . ?
C184 C185 C186 C181 1.7(17) . . . . ?
C185 C184 C187 C188 -26.0(14) . . . . ?
C185 C184 C187 C189 91.8(13) . . . . ?
C185 C184 C187 C190 -141.5(11) . . . . ?
C186 C181 C182 C183 3.1(14) . . . . ?
C186 C181 S19 Au22 -177.2(8) . . . . ?
C186 C181 S19 Au24 82.5(9) . . . . ?
C187 C184 C185 C186 178.8(10) . . . . ?
C191 C192 C193 C194 0.0(16) . . . . ?
C192 C191 C196 C195 -2.2(14) . . . . ?
C192 C191 S20 Au19 102.8(8) . . . . ?
C192 C191 S20 Au22 -1.3(9) . . . . ?
C192 C193 C194 C195 -0.8(16) . . . . ?
C192 C193 C194 C197 -177.1(9) . . . . ?
C193 C194 C195 C196 0.0(16) . . . . ?
C193 C194 C197 C198 44.8(14) . . . . ?
C193 C194 C197 C199 171.1(10) . . . . ?
C193 C194 C197 C200 -73.2(12) . . . . ?
C194 C195 C196 C191 1.4(15) . . . . ?
C195 C194 C197 C198 -131.4(11) . . . . ?
C195 C194 C197 C199 -5.1(15) . . . . ?
C195 C194 C197 C200 110.6(13) . . . . ?
C196 C191 C192 C193 1.4(15) . . . . ?
C196 C191 S20 Au19 -80.1(7) . . . . ?
C196 C191 S20 Au22 175.8(6) . . . . ?
C197 C194 C195 C196 176.1(9) . . . . ?
C201 C202 C203 C204 -6.1(16) . . . . ?
C202 C201 C206 C205 -0.1(14) . . . . ?
C202 C201 S21 Au16 -136.2(8) . . . . ?
C202 C201 S21 Au19 -40.0(9) . . . . ?
C202 C203 C204 C205 7.4(15) . . . . ?
C202 C203 C204 C207 -179.0(10) . . . . ?
C203 C204 C205 C206 -5.2(15) . . . . ?
C203 C204 C207 C208 54.5(13) . . . . ?
C203 C204 C207 C209 -75.1(12) . . . . ?
C203 C204 C207 C210 174.9(9) . . . . ?
C204 C205 C206 C201 1.6(14) . . . . ?
C205 C204 C207 C208 -132.4(11) . . . . ?
C205 C204 C207 C209 98.0(12) . . . . ?
C205 C204 C207 C210 -12.1(14) . . . . ?
C206 C201 C202 C203 2.5(16) . . . . ?
C206 C201 S21 Au16 45.1(9) . . . . ?
C206 C201 S21 Au19 141.3(7) . . . . ?
C207 C204 C205 C206 -178.1(9) . . . . ?
C211 C212 C213 C214 5.8(15) . . . . ?
C212 C211 C216 C215 8.6(14) . . . . ?
C212 C213 C214 C215 -5.0(15) . . . . ?
C212 C213 C214 C217 178.0(10) . . . . ?
C213 C214 C215 C216 6.4(16) . . . . ?
C213 C214 C217 C218 -92.9(12) . . . . ?
C213 C214 C217 C219 30.8(13) . . . . ?
C213 C214 C217 C220 149.0(10) . . . . ?
C214 C215 C216 C211 -8.2(16) . . . . ?
C215 C214 C217 C218 90.3(13) . . . . ?
C215 C214 C217 C219 -146.0(11) . . . . ?
C215 C214 C217 C220 -27.8(15) . . . . ?
C216 C211 C212 C213 -7.7(15) . . . . ?
C217 C214 C215 C216 -176.7(10) . . . . ?
C221 C222 C223 C224 2.0(14) . . . . ?
C222 C221 C226 C225 3.0(15) . . . . ?
C222 C223 C224 C225 -2.2(16) . . . . ?
C222 C223 C224 C227 176.5(8) . . . . ?
C223 C224 C225 C226 2.7(15) . . . . ?
C223 C224 C227 C228 -68.1(12) . . . . ?
C223 C224 C227 C229 164.8(10) . . . . ?
C223 C224 C227 C230 53.9(11) . . . . ?
C224 C225 C226 C221 -3.1(15) . . . . ?
C225 C224 C227 C228 110.6(10) . . . . ?
C225 C224 C227 C229 -16.5(12) . . . . ?
C225 C224 C227 C230 -127.4(10) . . . . ?
C226 C221 C222 C223 -2.4(14) . . . . ?
C227 C224 C225 C226 -176.0(8) . . . . ?
C231 C232 C233 C234 4.4(16) . . . . ?
C232 C231 C236 C235 -0.9(13) . . . . ?
C232 C231 S24 Au31 90.8(7) . . . . ?
C232 C233 C234 C235 -1.0(16) . . . . ?
C232 C233 C234 C237 176.2(9) . . . . ?
C233 C234 C235 C236 -3.5(16) . . . . ?
C233 C234 C237 C238 92.1(12) . . . . ?
C233 C234 C237 C239 -25.8(13) . . . . ?
C233 C234 C237 C240 -147.6(10) . . . . ?
C234 C235 C236 C231 4.4(14) . . . . ?
C235 C234 C237 C238 -90.7(11) . . . . ?
C235 C234 C237 C239 151.4(9) . . . . ?
C235 C234 C237 C240 29.6(13) . . . . ?
C236 C231 C232 C233 -3.4(14) . . . . ?
C236 C231 S24 Au31 -91.3(7) . . . . ?
C237 C234 C235 C236 179.3(8) . . . . ?
S1 C1 C2 C3 179.6(6) . . . . ?
S1 C1 C6 C5 179.3(7) . . . . ?
S2 C11 C12 C13 176.5(7) . . . . ?
S2 C11 C16 C15 -177.7(9) . . . . ?
S3 C21 C22 C23 178.7(8) . . . . ?
S3 C21 C26 C25 179.9(7) . . . . ?
S4 C31 C32 C33 -179.4(7) . . . . ?
S4 C31 C36 C35 176.2(8) . . . . ?
S5 C41 C42 C43 -175.3(7) . . . . ?
S5 C41 C46 C45 -178.8(7) . . . . ?
S6 C51 C52 C53 175.0(9) . . . . ?
S6 C51 C56 C55 -177.3(7) . . . . ?
S7 C61 C62 C63 -178.6(6) . . . . ?
S7 C61 C66 C65 177.4(7) . . . . ?
S8 C71 C72 C73 175.1(9) . . . . ?
S8 C71 C76 C75 -175.9(7) . . . . ?
C212 C211 S22 AG7z 173.3(7) . . . . ?
C212 C211 S22 AG3z -101.9(8) . . . . ?
C212 C211 S22 AU3z -101.9(8) . . . . ?
C212 C211 S22 AU7z 173.3(7) . . . . ?
C216 C211 S22 AG3z 86.5(7) . . . . ?
C216 C211 S22 AG7z 1.6(8) . . . . ?
C216 C211 S22 AU7z 1.6(8) . . . . ?
C216 C211 S22 AU3z 86.5(7) . . . . ?
S9 C81 C82 C83 177.7(7) . . . . ?
S9 C81 C86 C85 -177.8(7) . . . . ?
S10 C91 C92 C93 174.8(7) . . . . ?
S10 C91 C96 C95 -175.7(7) . . . . ?
S11 C101 C102 C103 -176.0(7) . . . . ?
S11 C101 C106 C105 176.4(7) . . . . ?
S12 C111 C112 C113 -178.1(7) . . . . ?
S12 C111 C116 C115 178.2(7) . . . . ?
S13 C121 C122 C123 -178.1(7) . . . . ?
S13 C121 C126 C125 178.8(7) . . . . ?
S14 C131 C132 C133 175.7(9) . . . . ?
S14 C131 C136 C135 -177.4(7) . . . . ?
S15 C141 C142 C143 179.9(8) . . . . ?
S15 C141 C146 C145 179.7(8) . . . . ?
S16 C151 C152 C153 177.3(7) . . . . ?
S16 C151 C156 C155 179.1(7) . . . . ?
S17 C161 C162 C163 -176.7(7) . . . . ?
S17 C161 C166 C165 178.9(7) . . . . ?
S18 C171 C172 C173 -175.2(6) . . . . ?
S18 C171 C176 C175 179.2(7) . . . . ?
S19 C181 C182 C183 -177.0(7) . . . . ?
S19 C181 C186 C185 177.3(8) . . . . ?
C222 C221 S23 AG8z -143.8(7) . . . . ?
C222 C221 S23 AU7z -37.9(8) . . . . ?
C222 C221 S23 AG7z -37.9(8) . . . . ?
C222 C221 S23 AU8z -143.8(7) . . . . ?
C226 C221 S23 AG7z 143.9(8) . . . . ?
C226 C221 S23 AG8z 38.0(9) . . . . ?
C226 C221 S23 AU7z 143.9(8) . . . . ?
C226 C221 S23 AU8z 38.0(9) . . . . ?
S20 C191 C192 C193 178.4(8) . . . . ?
S20 C191 C196 C195 -179.4(7) . . . . ?
S21 C201 C202 C203 -176.2(8) . . . . ?
S21 C201 C206 C205 178.6(6) . . . . ?
S22 C211 C212 C213 -179.4(8) . . . . ?
S22 C211 C216 C215 -179.7(7) . . . . ?
S23 C221 C222 C223 179.4(7) . . . . ?
C232 C231 S24 AG8z -153.6(6) . . . . ?
C232 C231 S24 AU8z -153.6(6) . . . . ?
C236 C231 S24 AG8z 24.2(8) . . . . ?
C236 C231 S24 AU8z 24.2(8) . . . . ?
S23 C221 C226 C225 -178.9(7) . . . . ?
S24 C231 C232 C233 174.5(8) . . . . ?
S24 C231 C236 C235 -178.6(7) . . . . ?

_platon_squeeze_details          ?
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.000 0.000 0.000 180 21 ' '
2 0.000 0.500 -0.024 3548 416 ' '
3 0.250 -0.250 0.000 704 78 ' '
4 0.500 1.000 0.012 3551 416 ' '
5 0.500 0.500 0.000 177 21 ' '
6 0.750 0.250 0.000 704 78 ' '
7 0.339 0.946 0.020 24 4 ' '
8 0.839 0.446 0.020 24 4 ' '
9 0.288 0.241 0.021 8 1 ' '
10 0.788 0.741 0.021 8 1 ' '
11 0.255 0.352 0.178 202 20 ' '
12 0.755 0.852 0.178 202 20 ' '
13 0.245 0.852 0.322 202 20 ' '
14 0.745 0.352 0.322 202 20 ' '
15 0.250 0.250 0.500 705 78 ' '
16 0.750 0.750 0.500 705 78 ' '
17 0.500 0.500 0.500 177 21 ' '
18 1.000 0.000 0.500 177 21 ' '
19 0.161 0.446 0.480 24 4 ' '
20 0.661 0.946 0.480 24 4 ' '
21 0.212 0.741 0.479 7 1 ' '
22 0.712 0.241 0.479 7 1 ' '
23 0.339 0.054 0.520 23 4 ' '
24 0.839 0.554 0.520 23 4 ' '
25 0.288 0.759 0.521 8 1 ' '
26 0.788 0.259 0.521 8 1 ' '
27 0.255 0.648 0.678 202 20 ' '
28 0.755 0.148 0.678 202 20 ' '
29 0.245 0.148 0.822 202 20 ' '
30 0.745 0.648 0.822 202 20 ' '
31 0.161 0.554 0.980 23 4 ' '
32 0.661 0.054 0.980 23 4 ' '
33 0.212 0.259 0.979 7 1 ' '
34 0.712 0.759 0.979 7 1 ' '

_platon_squeeze_void_probe_radius 1.20
_olex2_submission_special_instructions 'No special instructions were received'
