# Supplementary Information (SI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# 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_Au25S18Ph18
_database_code_depnum_ccdc_archive 'CCDC 2299526'
loop_
_audit_author_name
_audit_author_address
'Yoshiyuki Mizuhata'
;Kyoto University
Japan
;
_audit_update_record             
;
2023-10-06 deposited with the CCDC.	2024-10-07 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT241_Au25S18Ph18         
;
PROBLEM: High   'MainMol' Ueq as Compared to Neighbors of       C155 Check
RESPONSE: Due to the disordered long-chain alkyl groups that are difficult to resolve
;
_vrf_PLAT242_Au25S18Ph18         
;
PROBLEM: Low    'MainMol' Ueq as Compared to Neighbors of       C159 Check
RESPONSE: Due to the disordered long-chain alkyl groups that are difficult to resolve
;
_vrf_PLAT420_Au25S18Ph18         
;
PROBLEM: D-H Bond Without Acceptor  O1       --H1       .     Please Check
RESPONSE: Phenyl ring (C13-C18) accepts the OH with OH--\p interaction.
;
_vrf_PLAT910_Au25S18Ph18         
;
PROBLEM: Missing # of FCF Reflection(s) Below Theta(Min).         12 Note
RESPONSE: Due to the large unit cell
;
_vrf_PLAT971_Au25S18Ph18         
;
PROBLEM: Check Calcd Resid. Dens.  0.79Ang From Au19            2.60 eA-3
RESPONSE: These are the residual densities near heavy atom core.
;
_vrf_PLAT973_Au25S18Ph18         
;
PROBLEM: Check Calcd Positive Resid. Density on       Au1       1.61 eA-3
RESPONSE: These are the residual densities near heavy atom core.
;
# Added during the CSD deposition process: Friday 06 October 2023 05:58 AM
# end Validation Reply Form

_audit_creation_date             2023-10-05
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_shelx_SHELXL_version_number     2019/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'C108 H90 Au25 S18, C32 H68 N, 0.766(C7 H8), C2 H6 O'
_chemical_formula_sum            'C147.36 H170.13 Au25 N O S18'
_chemical_formula_weight         7472.59
_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'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 '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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   17.0841(8)
_cell_length_b                   20.5511(10)
_cell_length_c                   26.5333(12)
_cell_angle_alpha                73.391(2)
_cell_angle_beta                 72.258(2)
_cell_angle_gamma                65.634(2)
_cell_volume                     7943.6(7)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9981
_cell_measurement_temperature    90(2)
_cell_measurement_theta_max      27.47
_cell_measurement_theta_min      2.21
_shelx_estimated_absorpt_T_max   0.336
_shelx_estimated_absorpt_T_min   0.090
_exptl_absorpt_coefficient_mu    23.262
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_correction_T_min  0.5214
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1286 before and 0.0634 after correction.
The Ratio of minimum to maximum transmission is 0.6994.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    3.124
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             6665
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.06
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0589
_diffrn_reflns_av_unetI/netI     0.0433
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            193152
_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         27.481
_diffrn_reflns_theta_min         1.855
_diffrn_ambient_temperature      90(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker D8 goniometer'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                28950
_reflns_number_total             36399
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _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 V8.40A (Bruker Nano, Inc., 2019)'
_computing_data_collection       'Bruker Instrument Service vV6.2.12'
_computing_data_reduction        'SAINT V8.40A (Bruker Nano, Inc., 2019)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         2.749
_refine_diff_density_min         -1.139
_refine_diff_density_rms         0.226
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1840
_refine_ls_number_reflns         36399
_refine_ls_number_restraints     34
_refine_ls_R_factor_all          0.0444
_refine_ls_R_factor_gt           0.0306
_refine_ls_restrained_S_all      1.034
_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)+(0.0238P)²+21.3030P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0648
_refine_ls_wR_factor_ref         0.0703
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2. Restrained distances
 C154-C155
 1.54 with sigma of 0.02
 C102-C111 \\sim C102-C108 \\sim C102-C103 \\sim C102-C107
 with sigma of 0.02
 C103-C104 \\sim C107-C106 \\sim C108-C109 \\sim C111-C110
 with sigma of 0.02
 C109-C105 \\sim C110-C105 \\sim C104-C105 \\sim C105-C106
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(C115) \\sim Ueq: with sigma of 0.02 and sigma for terminal atoms of 0.02
4. Rigid body (RIGU) restrains
 C153, C154, C162, C163, C127, C128
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
5. Others
 Sof(C118)=Sof(C119)=Sof(H119)=Sof(C120)=Sof(H120)=Sof(C121)=Sof(H121)=
 Sof(C122)=Sof(H122)=Sof(C123)=Sof(H123)=1-FVAR(1)
 Sof(C112)=Sof(C113)=Sof(H113)=Sof(C114)=Sof(H114)=Sof(C115)=Sof(H115)=
 Sof(C116)=Sof(H116)=Sof(C117)=Sof(H117)=Sof(C124)=Sof(C125)=Sof(H125)=
 Sof(C126)=Sof(H126)=Sof(C127)=Sof(H127)=Sof(C128)=Sof(H128)=Sof(C129)=
 Sof(H129)=Sof(C130)=Sof(H13O)=Sof(H13P)=Sof(H13Q)=FVAR(1)
 Sof(Au15)=1-FVAR(2)
 Sof(Au14)=FVAR(2)
 Sof(Au24)=1-FVAR(3)
 Sof(Au23)=FVAR(3)
 Sof(Au17)=1-FVAR(4)
 Sof(Au18)=FVAR(4)
 Sof(H10A)=Sof(C108)=Sof(H108)=Sof(C109)=Sof(H109)=Sof(C110)=Sof(H110)=
 Sof(C111)=Sof(H111)=1-FVAR(5)
 Sof(C103)=Sof(H103)=Sof(C104)=Sof(H104)=Sof(H105)=Sof(C106)=Sof(H106)=
 Sof(C107)=Sof(H107)=FVAR(5)
 Sof(C67)=Sof(H67)=Sof(C68)=Sof(H68)=Sof(C69)=Sof(H69)=Sof(C70)=Sof(H70)=
 Sof(C71)=Sof(H71)=1-FVAR(6)
 Sof(C62)=Sof(H62)=Sof(C63)=Sof(H63)=Sof(C64)=Sof(H64)=Sof(C65)=Sof(H65)=
 Sof(C66)=Sof(H66)=FVAR(6)
6.a Secondary CH2 refined with riding coordinates:
 C131(H13R,H13S), C133(H13A,H13B), C134(H13C,H13D), C135(H13E,H13F), C136(H13G,
 H13H), C137(H13I,H13J), C138(H13K,H13L), C139(H13M,H13N), C141(H14D,H14E),
 C142(H14F,H14G), C143(H14H,H14I), C144(H14J,H14K), C145(H14L,H14M), C146(H14N,
 H14O), C147(H14P,H14Q), C149(H14U,H14V), C150(H15A,H15B), C151(H15C,H15D),
 C152(H15E,H15F), C153(H15G,H15H), C154(H15I,H15J), C155(H15K,H15L), C157(H15P,
 H15Q), C158(H15R,H15S), C159(H15T,H15U), C160(H16A,H16B), C161(H16C,H16D),
 C162(H16E,H16F), C163(H16G,H16H)
6.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C6(H6), C8(H8), C9(H9), C10(H10), C11(H11),
 C12(H12), C14(H14), C15(H15), C16(H16), C17(H17), C18(H18), C20(H20), C21(H21),
  C22(H22), C23(H23), C24(H24), C26(H26), C27(H27), C28(H28), C29(H29),
 C30(H30), C32(H32), C33(H33), C34(H34), C35(H35), C36(H36), C38(H38), C39(H39),
  C40(H40), C41(H41), C42(H42), C44(H44), C45(H45), C46(H46), C47(H47),
 C48(H48), C50(H50), C51(H51), C52(H52), C53(H53), C54(H54), C56(H56), C57(H57),
  C58(H58), C59(H59), C60(H60), C62(H62), C63(H63), C64(H64), C65(H65),
 C66(H66), C67(H67), C68(H68), C69(H69), C70(H70), C71(H71), C73(H73), C74(H74),
  C75(H75), C76(H76), C77(H77), C79(H79), C80(H80), C81(H81), C82(H82),
 C83(H83), C85(H85), C86(H86), C87(H87), C88(H88), C89(H89), C91(H91), C92(H92),
  C93(H93), C94(H94), C95(H95), C97(H97), C98(H98), C99(H99), C100(H100),
 C101(H101), C103(H103), C104(H104), C105(H105), C105(H10A), C106(H106),
 C107(H107), C108(H108), C109(H109), C110(H110), C111(H111), C113(H113),
 C114(H114), C115(H115), C116(H116), C117(H117), C119(H119), C120(H120),
 C121(H121), C122(H122), C123(H123), C125(H125), C126(H126), C127(H127),
 C128(H128), C129(H129)
6.c Fitted hexagon refined as free rotating group:
 C124(C125,C126,C127,C128,C129)
6.d Idealised Me refined as rotating group:
 C130(H13O,H13P,H13Q), C132(H13T,H13U,H13V), C140(H14A,H14B,H14C), C148(H14R,
 H14S,H14T), C156(H15M,H15N,H15O), C164(H16I,H16J,H16K)
6.e Idealised tetrahedral OH refined as rotating group:
 O1(H1)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
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 0.74917(2) 0.23905(2) 0.24791(2) 0.01641(5) Uani 1 1 d . . . . .
Au2 Au 0.61911(2) 0.29620(2) 0.33341(2) 0.02110(6) Uani 1 1 d . . . . .
Au3 Au 0.79183(2) 0.20245(2) 0.34762(2) 0.02044(6) Uani 1 1 d . . . . .
Au4 Au 0.75937(2) 0.35133(2) 0.28230(2) 0.02029(6) Uani 1 1 d . . . . .
Au5 Au 0.62778(2) 0.37661(2) 0.22211(2) 0.02002(6) Uani 1 1 d . . . . .
Au6 Au 0.57920(2) 0.25338(2) 0.24978(2) 0.02125(6) Uani 1 1 d . . . . .
Au7 Au 0.68293(2) 0.14011(2) 0.32416(2) 0.02144(6) Uani 1 1 d . . . . .
Au8 Au 0.91977(2) 0.22478(2) 0.24766(2) 0.01942(6) Uani 1 1 d . . . . .
Au9 Au 0.81835(2) 0.33768(2) 0.17288(2) 0.01973(6) Uani 1 1 d . . . . .
Au10 Au 0.70993(2) 0.27404(2) 0.14680(2) 0.02063(6) Uani 1 1 d . . . . .
Au11 Au 0.72941(2) 0.13136(2) 0.21301(2) 0.02207(6) Uani 1 1 d . . . . .
Au12 Au 0.87291(2) 0.10169(2) 0.27145(2) 0.02133(6) Uani 1 1 d . . . . .
Au13 Au 0.87997(2) 0.18364(2) 0.16303(2) 0.02225(6) Uani 1 1 d . . . . .
Au14 Au 0.69401(12) 0.32044(15) 0.41326(5) 0.0222(3) Uani 0.89(2) 1 d . . P A 1
Au15 Au 0.7001(10) 0.3334(14) 0.4142(5) 0.036(2) Uani 0.11(2) 1 d . . P A 2
Au16 Au 0.44106(2) 0.38623(2) 0.29358(2) 0.02650(6) Uani 1 1 d . . . . .
Au17 Au 0.6299(4) 0.1657(3) 0.4397(2) 0.0165(15) Uani 0.39(5) 1 d . . P A 2
Au18 Au 0.6294(3) 0.1711(4) 0.43992(16) 0.0368(10) Uani 0.61(5) 1 d . . P A 1
Au19 Au 0.71359(2) 0.49317(2) 0.19408(2) 0.02457(6) Uani 1 1 d . . . . .
Au20 Au 0.50507(2) 0.37527(2) 0.15533(2) 0.02814(7) Uani 1 1 d . . . . .
Au21 Au 0.57011(2) 0.09142(2) 0.27972(2) 0.02675(6) Uani 1 1 d . . . . .
Au22 Au 0.92945(2) 0.38211(2) 0.22011(2) 0.02410(6) Uani 1 1 d . . . . .
Au23 Au 0.78756(7) -0.01488(6) 0.30226(12) 0.0274(4) Uani 0.911(15) 1 d . . P A
1
Au24 Au 0.7892(11) -0.0186(7) 0.2839(17) 0.037(3) Uani 0.089(15) 1 d . . P A 2
Au25 Au 1.00187(2) 0.10552(2) 0.33844(2) 0.02435(6) Uani 1 1 d . . . . .
Au26 Au 0.87206(2) 0.30409(2) 0.05764(2) 0.02295(6) Uani 1 1 d . . . . .
Au27 Au 0.81563(2) 0.14427(2) 0.08592(2) 0.02688(6) Uani 1 1 d . . . . .
Au28 Au 1.05962(2) 0.08942(2) 0.20172(2) 0.02627(6) Uani 1 1 d . . . . .
S1 S 0.46818(11) 0.34177(11) 0.37925(7) 0.0295(4) Uani 1 1 d . . . . .
S2 S 0.60300(13) 0.26568(11) 0.47621(7) 0.0313(4) Uani 1 1 d . . . . .
S3 S 0.39268(12) 0.44336(11) 0.21470(7) 0.0293(4) Uani 1 1 d . . . . .
S4 S 0.46387(11) 0.20672(11) 0.27057(7) 0.0269(4) Uani 1 1 d . . . . .
S5 S 0.63124(12) 0.07298(11) 0.40976(7) 0.0293(4) Uani 1 1 d . . . . .
S6 S 0.89208(12) 0.16069(10) 0.40579(7) 0.0251(4) Uani 1 1 d . . . . .
S7 S 0.77077(12) 0.39333(11) 0.35447(7) 0.0270(4) Uani 1 1 d . . . . .
S8 S 0.58599(11) 0.50046(10) 0.17577(7) 0.0230(4) Uani 1 1 d . . . . .
S9 S 0.61334(12) 0.32334(11) 0.08580(7) 0.0299(4) Uani 1 1 d . . . . .
S10 S 0.66895(13) -0.02724(11) 0.28691(8) 0.0339(5) Uani 1 1 d . . . . .
S11 S 0.91686(14) -0.02190(11) 0.31708(9) 0.0364(5) Uani 1 1 d . . . . .
S12 S 1.03811(11) 0.26813(10) 0.22943(7) 0.0247(4) Uani 1 1 d . . . . .
S13 S 0.83267(12) 0.50085(10) 0.21283(7) 0.0268(4) Uani 1 1 d . . . . .
S14 S 0.87415(11) 0.39939(10) 0.08635(7) 0.0232(4) Uani 1 1 d . . . . .
S15 S 0.76787(13) 0.05547(11) 0.14807(7) 0.0279(4) Uani 1 1 d . . . . .
S16 S 1.11201(12) 0.03563(11) 0.27952(8) 0.0292(4) Uani 1 1 d . . . . .
S17 S 0.88429(12) 0.21400(10) 0.01755(7) 0.0268(4) Uani 1 1 d . . . . .
S18 S 1.02982(12) 0.13242(11) 0.11692(8) 0.0290(4) Uani 1 1 d . . . . .
C1 C 0.4323(5) 0.4218(5) 0.4058(3) 0.0356(19) Uani 1 1 d . . . . .
C2 C 0.3424(6) 0.4552(6) 0.4259(4) 0.052(3) Uani 1 1 d . . . . .
H2 H 0.302389 0.436383 0.422431 0.063 Uiso 1 1 calc R U . . .
C3 C 0.3102(6) 0.5139(6) 0.4504(4) 0.062(3) Uani 1 1 d . . . . .
H3 H 0.248643 0.535566 0.463392 0.075 Uiso 1 1 calc R U . . .
C4 C 0.3682(6) 0.5422(6) 0.4563(4) 0.052(3) Uani 1 1 d . . . . .
H4 H 0.346642 0.582248 0.474153 0.063 Uiso 1 1 calc R U . . .
C5 C 0.4564(6) 0.5113(5) 0.4360(3) 0.042(2) Uani 1 1 d . . . . .
H5 H 0.496224 0.530412 0.439422 0.050 Uiso 1 1 calc R U . . .
C6 C 0.4882(5) 0.4519(5) 0.4103(3) 0.0359(19) Uani 1 1 d . . . . .
H6 H 0.549431 0.431779 0.395631 0.043 Uiso 1 1 calc R U . . .
C7 C 0.6387(5) 0.2356(4) 0.5382(3) 0.0270(16) Uani 1 1 d . . . . .
C8 C 0.6063(6) 0.2854(6) 0.5709(4) 0.051(3) Uani 1 1 d . . . . .
H8 H 0.568070 0.333207 0.559653 0.061 Uiso 1 1 calc R U . . .
C9 C 0.6286(7) 0.2671(6) 0.6205(4) 0.060(3) Uani 1 1 d . . . . .
H9 H 0.604411 0.301589 0.643664 0.072 Uiso 1 1 calc R U . . .
C10 C 0.6858(7) 0.1987(6) 0.6359(4) 0.061(3) Uani 1 1 d . . . . .
H10 H 0.703323 0.186119 0.669182 0.073 Uiso 1 1 calc R U . . .
C11 C 0.7172(7) 0.1490(5) 0.6036(4) 0.052(3) Uani 1 1 d . . . . .
H11 H 0.755623 0.101351 0.614902 0.062 Uiso 1 1 calc R U . . .
C12 C 0.6944(6) 0.1666(5) 0.5546(3) 0.042(2) Uani 1 1 d . . . . .
H12 H 0.716867 0.131235 0.532271 0.051 Uiso 1 1 calc R U . . .
C13 C 0.2952(5) 0.4257(4) 0.2217(3) 0.0307(18) Uani 1 1 d . . . . .
C14 C 0.2530(5) 0.3953(4) 0.2703(3) 0.037(2) Uani 1 1 d . . . . .
H14 H 0.278481 0.379107 0.300897 0.044 Uiso 1 1 calc R U . . .
C15 C 0.1737(5) 0.3881(4) 0.2747(4) 0.042(2) Uani 1 1 d . . . . .
H15 H 0.143813 0.368827 0.308322 0.050 Uiso 1 1 calc R U . . .
C16 C 0.1387(5) 0.4097(5) 0.2291(4) 0.040(2) Uani 1 1 d . . . . .
H16 H 0.085373 0.403827 0.231325 0.048 Uiso 1 1 calc R U . . .
C17 C 0.1805(6) 0.4394(5) 0.1810(4) 0.045(2) Uani 1 1 d . . . . .
H17 H 0.155851 0.454209 0.150115 0.054 Uiso 1 1 calc R U . . .
C18 C 0.2581(5) 0.4480(5) 0.1770(3) 0.0352(19) Uani 1 1 d . . . . .
H18 H 0.286323 0.469344 0.143519 0.042 Uiso 1 1 calc R U . . .
C19 C 0.4326(5) 0.2206(4) 0.2087(3) 0.0250(16) Uani 1 1 d . . . . .
C20 C 0.3434(5) 0.2451(5) 0.2106(3) 0.038(2) Uani 1 1 d . . . . .
H20 H 0.302880 0.251967 0.243964 0.046 Uiso 1 1 calc R U . . .
C21 C 0.3123(6) 0.2597(5) 0.1646(4) 0.046(2) Uani 1 1 d . . . . .
H21 H 0.250843 0.277149 0.166282 0.056 Uiso 1 1 calc R U . . .
C22 C 0.3707(6) 0.2489(5) 0.1171(4) 0.047(2) Uani 1 1 d . . . . .
H22 H 0.350014 0.257336 0.085492 0.057 Uiso 1 1 calc R U . . .
C23 C 0.4611(6) 0.2253(6) 0.1143(3) 0.050(2) Uani 1 1 d . . . . .
H23 H 0.501363 0.219722 0.080657 0.060 Uiso 1 1 calc R U . . .
C24 C 0.4919(5) 0.2101(4) 0.1605(3) 0.0336(18) Uani 1 1 d . . . . .
H24 H 0.553255 0.192600 0.158957 0.040 Uiso 1 1 calc R U . . .
C25 C 0.5168(5) 0.0915(5) 0.4174(3) 0.0303(18) Uani 1 1 d . . . . .
C26 C 0.4879(6) 0.0334(5) 0.4369(3) 0.044(2) Uani 1 1 d . . . . .
H26 H 0.528646 -0.014445 0.444865 0.052 Uiso 1 1 calc R U . . .
C27 C 0.3986(6) 0.0450(6) 0.4449(4) 0.049(2) Uani 1 1 d . . . . .
H27 H 0.379200 0.004901 0.457596 0.059 Uiso 1 1 calc R U . . .
C28 C 0.3382(6) 0.1150(5) 0.4343(3) 0.045(2) Uani 1 1 d . . . . .
H28 H 0.277568 0.122844 0.440088 0.054 Uiso 1 1 calc R U . . .
C29 C 0.3668(5) 0.1724(5) 0.4154(3) 0.042(2) Uani 1 1 d . . . . .
H29 H 0.325474 0.220200 0.408135 0.050 Uiso 1 1 calc R U . . .
C30 C 0.4551(5) 0.1621(5) 0.4067(3) 0.038(2) Uani 1 1 d . . . . .
H30 H 0.473891 0.202567 0.393524 0.045 Uiso 1 1 calc R U . . .
C31 C 0.8759(5) 0.0829(4) 0.4544(3) 0.0300(17) Uani 1 1 d . . . . .
C32 C 0.8390(5) 0.0397(4) 0.4453(3) 0.0354(19) Uani 1 1 d . . . . .
H32 H 0.822149 0.049981 0.412082 0.043 Uiso 1 1 calc R U . . .
C33 C 0.8267(6) -0.0181(5) 0.4844(4) 0.050(2) Uani 1 1 d . . . . .
H33 H 0.800184 -0.046974 0.478395 0.060 Uiso 1 1 calc R U . . .
C34 C 0.8533(7) -0.0344(6) 0.5331(4) 0.056(3) Uani 1 1 d . . . . .
H34 H 0.846401 -0.074855 0.559790 0.068 Uiso 1 1 calc R U . . .
C35 C 0.8893(6) 0.0089(6) 0.5414(4) 0.058(3) Uani 1 1 d . . . . .
H35 H 0.906603 -0.001568 0.574452 0.069 Uiso 1 1 calc R U . . .
C36 C 0.9012(6) 0.0673(5) 0.5031(3) 0.045(2) Uani 1 1 d . . . . .
H36 H 0.926332 0.096731 0.509696 0.054 Uiso 1 1 calc R U . . .
C37 C 0.6992(5) 0.4844(4) 0.3623(3) 0.0342(18) Uani 1 1 d . . . . .
C38 C 0.6487(6) 0.5302(4) 0.3263(4) 0.041(2) Uani 1 1 d . . . . .
H38 H 0.645503 0.513465 0.297402 0.049 Uiso 1 1 calc R U . . .
C39 C 0.6021(6) 0.6020(5) 0.3329(4) 0.054(3) Uani 1 1 d . . . . .
H39 H 0.566954 0.633949 0.307800 0.064 Uiso 1 1 calc R U . . .
C40 C 0.6047(8) 0.6290(6) 0.3748(5) 0.070(3) Uani 1 1 d . . . . .
H40 H 0.574316 0.678804 0.377541 0.084 Uiso 1 1 calc R U . . .
C41 C 0.6527(7) 0.5810(6) 0.4119(5) 0.066(3) Uani 1 1 d . . . . .
H41 H 0.653631 0.597283 0.441782 0.079 Uiso 1 1 calc R U . . .
C42 C 0.7003(6) 0.5086(6) 0.4065(4) 0.052(2) Uani 1 1 d . . . . .
H42 H 0.733234 0.475918 0.432434 0.062 Uiso 1 1 calc R U . . .
C43 C 0.4983(4) 0.5607(4) 0.2168(3) 0.0247(16) Uani 1 1 d . . . . .
C44 C 0.4480(5) 0.6256(4) 0.1907(3) 0.0361(19) Uani 1 1 d . . . . .
H44 H 0.461581 0.637347 0.152503 0.043 Uiso 1 1 calc R U . . .
C45 C 0.3771(6) 0.6744(5) 0.2201(4) 0.045(2) Uani 1 1 d . . . . .
H45 H 0.343207 0.719686 0.201905 0.054 Uiso 1 1 calc R U . . .
C46 C 0.3567(5) 0.6573(5) 0.2745(4) 0.043(2) Uani 1 1 d . . . . .
H46 H 0.308005 0.690311 0.294404 0.051 Uiso 1 1 calc R U . . .
C47 C 0.4071(5) 0.5912(5) 0.3012(3) 0.038(2) Uani 1 1 d . . . . .
H47 H 0.393062 0.579333 0.339420 0.045 Uiso 1 1 calc R U . . .
C48 C 0.4777(5) 0.5427(4) 0.2721(3) 0.0343(19) Uani 1 1 d . . . . .
H48 H 0.511595 0.497325 0.290219 0.041 Uiso 1 1 calc R U . . .
C49 C 0.6325(5) 0.4011(5) 0.0408(3) 0.035(2) Uani 1 1 d . . . . .
C50 C 0.6718(5) 0.4414(5) 0.0527(3) 0.038(2) Uani 1 1 d . . . . .
H50 H 0.690629 0.427066 0.085636 0.045 Uiso 1 1 calc R U . . .
C51 C 0.6831(6) 0.5022(5) 0.0162(3) 0.042(2) Uani 1 1 d . . . . .
H51 H 0.712147 0.528215 0.023314 0.050 Uiso 1 1 calc R U . . .
C52 C 0.6514(7) 0.5248(5) -0.0310(3) 0.050(2) Uani 1 1 d . . . . .
H52 H 0.657065 0.567502 -0.055173 0.060 Uiso 1 1 calc R U . . .
C53 C 0.6130(7) 0.4871(6) -0.0427(4) 0.064(3) Uani 1 1 d . . . . .
H53 H 0.593556 0.502395 -0.075524 0.077 Uiso 1 1 calc R U . . .
C54 C 0.6018(7) 0.4261(6) -0.0070(3) 0.056(3) Uani 1 1 d . . . . .
H54 H 0.572818 0.400735 -0.015118 0.067 Uiso 1 1 calc R U . . .
C55 C 0.6270(6) -0.0826(5) 0.3443(4) 0.039(2) Uani 1 1 d . . . . .
C56 C 0.6643(7) -0.1128(5) 0.3897(4) 0.051(3) Uani 1 1 d . . . . .
H56 H 0.710742 -0.100421 0.391986 0.062 Uiso 1 1 calc R U . . .
C57 C 0.6335(8) -0.1608(6) 0.4314(4) 0.071(3) Uani 1 1 d . . . . .
H57 H 0.658939 -0.181500 0.462176 0.085 Uiso 1 1 calc R U . . .
C58 C 0.5648(8) -0.1786(7) 0.4279(6) 0.086(4) Uani 1 1 d . . . . .
H58 H 0.544876 -0.212638 0.455802 0.103 Uiso 1 1 calc R U . . .
C59 C 0.5264(8) -0.1469(7) 0.3843(6) 0.084(4) Uani 1 1 d . . . . .
H59 H 0.477932 -0.157295 0.382879 0.101 Uiso 1 1 calc R U . . .
C60 C 0.5580(6) -0.0994(6) 0.3419(5) 0.062(3) Uani 1 1 d . . . . .
H60 H 0.532023 -0.078661 0.311281 0.075 Uiso 1 1 calc R U . . .
C61 C 1.0000(6) -0.0855(6) 0.2788(5) 0.061(3) Uani 1 1 d . . . . .
C62 C 1.0753(12) -0.1247(11) 0.3048(10) 0.069(6) Uani 0.74(2) 1 d . . P B 1
H62 H 1.076434 -0.114461 0.337187 0.083 Uiso 0.74(2) 1 calc R U P B 1
C63 C 1.1457(10) -0.1785(9) 0.2788(12) 0.091(8) Uani 0.74(2) 1 d . . P B 1
H63 H 1.200096 -0.200338 0.290091 0.109 Uiso 0.74(2) 1 calc R U P B 1
C64 C 1.1354(12) -0.2002(12) 0.2358(13) 0.105(11) Uani 0.74(2) 1 d . . P B 1
H64 H 1.182260 -0.237545 0.218871 0.125 Uiso 0.74(2) 1 calc R U P B 1
C65 C 1.0622(9) -0.1691(11) 0.2196(8) 0.075(6) Uani 0.74(2) 1 d . . P B 1
H65 H 1.054593 -0.186961 0.192784 0.090 Uiso 0.74(2) 1 calc R U P B 1
C66 C 0.9927(9) -0.1091(9) 0.2405(7) 0.059(5) Uani 0.74(2) 1 d . . P B 1
H66 H 0.940804 -0.086237 0.226464 0.071 Uiso 0.74(2) 1 calc R U P B 1
C67 C 1.085(3) -0.125(3) 0.2817(15) 0.029(10) Uiso 0.26(2) 1 d . . P B 2
H67 H 1.108313 -0.114796 0.305850 0.035 Uiso 0.26(2) 1 calc R U P B 2
C68 C 1.144(3) -0.181(3) 0.2500(18) 0.039(11) Uiso 0.26(2) 1 d . . P B 2
H68 H 1.187983 -0.222770 0.263911 0.046 Uiso 0.26(2) 1 calc R U P B 2
C69 C 1.131(4) -0.169(3) 0.197(2) 0.064(14) Uiso 0.26(2) 1 d . . P B 2
H69 H 1.178332 -0.192892 0.171219 0.077 Uiso 0.26(2) 1 calc R U P B 2
C70 C 1.050(2) -0.124(2) 0.1825(15) 0.041(10) Uiso 0.26(2) 1 d . . P B 2
H70 H 1.038671 -0.127580 0.150798 0.049 Uiso 0.26(2) 1 calc R U P B 2
C71 C 0.984(2) -0.071(2) 0.2168(13) 0.028(8) Uiso 0.26(2) 1 d . . P B 2
H71 H 0.935388 -0.032093 0.204352 0.034 Uiso 0.26(2) 1 calc R U P B 2
C72 C 1.0660(5) 0.2553(4) 0.2921(3) 0.0277(16) Uani 1 1 d . . . . .
C73 C 1.1513(5) 0.2164(4) 0.2968(3) 0.0316(18) Uani 1 1 d . . . . .
H73 H 1.193308 0.195971 0.267243 0.038 Uiso 1 1 calc R U . . .
C74 C 1.1778(5) 0.2061(5) 0.3439(3) 0.037(2) Uani 1 1 d . . . . .
H74 H 1.237462 0.179149 0.346257 0.044 Uiso 1 1 calc R U . . .
C75 C 1.1176(5) 0.2349(4) 0.3872(3) 0.0349(19) Uani 1 1 d . . . . .
H75 H 1.135545 0.229093 0.419305 0.042 Uiso 1 1 calc R U . . .
C76 C 1.0303(5) 0.2727(5) 0.3833(3) 0.040(2) Uani 1 1 d . . . . .
H76 H 0.987794 0.290661 0.413660 0.048 Uiso 1 1 calc R U . . .
C77 C 1.0042(5) 0.2847(5) 0.3357(3) 0.0354(19) Uani 1 1 d . . . . .
H77 H 0.944925 0.312536 0.332893 0.042 Uiso 1 1 calc R U . . .
C78 C 0.8832(5) 0.5498(4) 0.1539(3) 0.0280(17) Uani 1 1 d . . . . .
C79 C 0.9641(5) 0.5522(4) 0.1541(3) 0.0363(19) Uani 1 1 d . . . . .
H79 H 0.990652 0.527608 0.184254 0.044 Uiso 1 1 calc R U . . .
C80 C 1.0044(6) 0.5909(5) 0.1098(4) 0.045(2) Uani 1 1 d . . . . .
H80 H 1.060617 0.590614 0.108742 0.054 Uiso 1 1 calc R U . . .
C81 C 0.9640(6) 0.6295(5) 0.0675(4) 0.049(2) Uani 1 1 d . . . . .
H81 H 0.990843 0.658136 0.038233 0.059 Uiso 1 1 calc R U . . .
C82 C 0.8849(6) 0.6272(5) 0.0672(3) 0.041(2) Uani 1 1 d . . . . .
H82 H 0.858406 0.652620 0.037087 0.049 Uiso 1 1 calc R U . . .
C83 C 0.8438(6) 0.5879(5) 0.1105(3) 0.040(2) Uani 1 1 d . . . . .
H83 H 0.788562 0.587147 0.110478 0.048 Uiso 1 1 calc R U . . .
C84 C 0.9884(5) 0.3808(4) 0.0804(3) 0.0252(16) Uani 1 1 d . . . . .
C85 C 1.0161(5) 0.4404(5) 0.0601(3) 0.037(2) Uani 1 1 d . . . . .
H85 H 0.974766 0.487712 0.051325 0.044 Uiso 1 1 calc R U . . .
C86 C 1.1041(5) 0.4304(5) 0.0528(3) 0.041(2) Uani 1 1 d . . . . .
H86 H 1.123214 0.470612 0.038576 0.049 Uiso 1 1 calc R U . . .
C87 C 1.1640(5) 0.3613(5) 0.0664(3) 0.040(2) Uani 1 1 d . . . . .
H87 H 1.224038 0.354466 0.061835 0.048 Uiso 1 1 calc R U . . .
C88 C 1.1369(5) 0.3024(5) 0.0865(3) 0.037(2) Uani 1 1 d . . . . .
H88 H 1.177977 0.255148 0.095841 0.044 Uiso 1 1 calc R U . . .
C89 C 1.0490(5) 0.3131(4) 0.0928(3) 0.0319(18) Uani 1 1 d . . . . .
H89 H 1.030485 0.272487 0.106139 0.038 Uiso 1 1 calc R U . . .
C90 C 0.6818(5) 0.0533(5) 0.1243(3) 0.0335(18) Uani 1 1 d . . . . .
C91 C 0.6657(6) 0.0887(6) 0.0740(4) 0.052(3) Uani 1 1 d . . . . .
H91 H 0.696751 0.119643 0.052099 0.063 Uiso 1 1 calc R U . . .
C92 C 0.6042(7) 0.0795(6) 0.0548(4) 0.064(3) Uani 1 1 d . . . . .
H92 H 0.592812 0.104666 0.020253 0.077 Uiso 1 1 calc R U . . .
C93 C 0.5593(7) 0.0332(6) 0.0865(4) 0.056(3) Uani 1 1 d . . . . .
H93 H 0.517543 0.026615 0.073507 0.068 Uiso 1 1 calc R U . . .
C94 C 0.5759(7) -0.0028(7) 0.1364(4) 0.065(3) Uani 1 1 d . . . . .
H94 H 0.545478 -0.034369 0.157889 0.078 Uiso 1 1 calc R U . . .
C95 C 0.6367(7) 0.0065(6) 0.1561(4) 0.055(3) Uani 1 1 d . . . . .
H95 H 0.647703 -0.018635 0.190772 0.066 Uiso 1 1 calc R U . . .
C96 C 1.2126(5) 0.0496(4) 0.2688(3) 0.0287(17) Uani 1 1 d . . . . .
C97 C 1.2501(5) 0.0352(4) 0.3125(3) 0.0318(18) Uani 1 1 d . . . . .
H97 H 1.219736 0.021894 0.348035 0.038 Uiso 1 1 calc R U . . .
C98 C 1.3317(6) 0.0402(5) 0.3041(4) 0.045(2) Uani 1 1 d . . . . .
H98 H 1.356082 0.031559 0.334169 0.054 Uiso 1 1 calc R U . . .
C99 C 1.3774(6) 0.0572(5) 0.2537(4) 0.045(2) Uani 1 1 d . . . . .
H99 H 1.434453 0.058043 0.248645 0.054 Uiso 1 1 calc R U . . .
C100 C 1.3408(5) 0.0734(5) 0.2093(4) 0.042(2) Uani 1 1 d . . . . .
H100 H 1.370932 0.087930 0.174056 0.050 Uiso 1 1 calc R U . . .
C101 C 1.2584(5) 0.0678(5) 0.2176(3) 0.039(2) Uani 1 1 d . . . . .
H101 H 1.233904 0.076606 0.187570 0.046 Uiso 1 1 calc R U . . .
C102 C 0.8237(5) 0.2589(4) -0.0349(3) 0.0341(19) Uani 1 1 d D . . . .
C103 C 0.7513(13) 0.2477(13) -0.0370(7) 0.088(7) Uani 0.81(3) 1 d D . P C 1
H103 H 0.725749 0.218572 -0.007408 0.106 Uiso 0.81(3) 1 calc R U P C 1
C104 C 0.7149(13) 0.2793(14) -0.0825(7) 0.114(10) Uani 0.81(3) 1 d D . P C 1
H104 H 0.666962 0.268796 -0.084666 0.137 Uiso 0.81(3) 1 calc R U P C 1
C105 C 0.7465(7) 0.3242(6) -0.1235(4) 0.064(3) Uani 1 1 d D . . . .
H105 H 0.717283 0.349462 -0.152456 0.077 Uiso 0.81(3) 1 calc R U P C 1
H10A H 0.727059 0.342422 -0.156416 0.077 Uiso 0.19(3) 1 calc R U P C 2
C106 C 0.8212(13) 0.3331(10) -0.1228(6) 0.075(7) Uani 0.81(3) 1 d D . P C 1
H106 H 0.845450 0.362894 -0.152562 0.090 Uiso 0.81(3) 1 calc R U P C 1
C107 C 0.8631(13) 0.2985(10) -0.0784(5) 0.068(7) Uani 0.81(3) 1 d D . P C 1
H107 H 0.916651 0.302705 -0.078733 0.082 Uiso 0.81(3) 1 calc R U P C 1
C108 C 0.781(3) 0.225(2) -0.0492(19) 0.026(12) Uiso 0.19(3) 1 d D . P C 2
H108 H 0.778539 0.179303 -0.029316 0.031 Uiso 0.19(3) 1 calc R U P C 2
C109 C 0.741(4) 0.2596(18) -0.0938(18) 0.033(14) Uiso 0.19(3) 1 d D . P C 2
H109 H 0.709383 0.237580 -0.103245 0.039 Uiso 0.19(3) 1 calc R U P C 2
C110 C 0.779(3) 0.363(2) -0.1077(18) 0.045(16) Uiso 0.19(3) 1 d D . P C 2
H110 H 0.777042 0.410492 -0.126377 0.054 Uiso 0.19(3) 1 calc R U P C 2
C111 C 0.815(3) 0.3288(12) -0.0616(15) 0.026(11) Uiso 0.19(3) 1 d D . P C 2
H111 H 0.834912 0.355846 -0.047952 0.031 Uiso 0.19(3) 1 calc R U P C 2
C112 C 1.0443(8) 0.0567(6) 0.0926(4) 0.028(3) Uani 0.766(6) 1 d . . P D 1
C113 C 1.0031(10) 0.0097(8) 0.1222(7) 0.070(4) Uani 0.766(6) 1 d . . P D 1
H113 H 0.968517 0.016413 0.157217 0.084 Uiso 0.766(6) 1 calc R U P D 1
C114 C 1.0113(13) -0.0489(9) 0.1015(7) 0.091(6) Uani 0.766(6) 1 d . . P D 1
H114 H 0.982560 -0.082017 0.122044 0.110 Uiso 0.766(6) 1 calc R U P D 1
C115 C 1.0615(15) -0.0572(12) 0.0511(10) 0.071(7) Uani 0.766(6) 1 d . U P D 1
H115 H 1.067538 -0.096974 0.036872 0.085 Uiso 0.766(6) 1 calc R U P D 1
C116 C 1.1021(11) -0.0115(11) 0.0211(8) 0.084(6) Uani 0.766(6) 1 d . . P D 1
H116 H 1.137118 -0.019003 -0.013695 0.101 Uiso 0.766(6) 1 calc R U P D 1
C117 C 1.0929(10) 0.0474(9) 0.0412(5) 0.071(5) Uani 0.766(6) 1 d . . P D 1
H117 H 1.120014 0.081250 0.019670 0.085 Uiso 0.766(6) 1 calc R U P D 1
C118 C 1.081(3) 0.042(2) 0.0929(16) 0.026(10) Uiso 0.234(6) 1 d . . P D 2
C119 C 1.026(2) 0.0273(18) 0.0706(13) 0.028(7) Uiso 0.234(6) 1 d . . P D 2
H119 H 0.965815 0.056275 0.072333 0.034 Uiso 0.234(6) 1 calc R U P D 2
C120 C 1.070(5) -0.036(4) 0.045(3) 0.048(18) Uiso 0.234(6) 1 d . . P D 2
H120 H 1.039766 -0.046759 0.025881 0.058 Uiso 0.234(6) 1 calc R U P D 2
C121 C 1.157(2) -0.0797(17) 0.0483(12) 0.026(7) Uani 0.234(6) 1 d . . P D 2
H121 H 1.184803 -0.121459 0.031926 0.032 Uiso 0.234(6) 1 calc R U P D 2
C122 C 1.199(2) -0.0637(19) 0.0739(13) 0.036(8) Uiso 0.234(6) 1 d . . P D 2
H122 H 1.257479 -0.095542 0.076330 0.043 Uiso 0.234(6) 1 calc R U P D 2
C123 C 1.163(2) -0.0026(17) 0.0975(12) 0.026(7) Uiso 0.234(6) 1 d . . P D 2
H123 H 1.195504 0.007388 0.116113 0.031 Uiso 0.234(6) 1 calc R U P D 2
C124 C 0.6320(7) 0.1050(5) 0.8205(4) 0.066(4) Uani 0.766(6) 1 d G . P D 1
C125 C 0.5770(5) 0.0935(5) 0.8702(5) 0.070(4) Uani 0.766(6) 1 d G . P D 1
H125 H 0.518330 0.098631 0.872171 0.084 Uiso 0.766(6) 1 calc R U P D 1
C126 C 0.6078(7) 0.0745(6) 0.9172(4) 0.090(6) Uani 0.766(6) 1 d G . P D 1
H126 H 0.570170 0.066670 0.951185 0.108 Uiso 0.766(6) 1 calc R U P D 1
C127 C 0.6936(8) 0.0670(6) 0.9143(5) 0.111(7) Uani 0.766(6) 1 d G . P D 1
H127 H 0.714664 0.054011 0.946401 0.133 Uiso 0.766(6) 1 calc R U P D 1
C128 C 0.7487(5) 0.0785(6) 0.8645(6) 0.097(6) Uani 0.766(6) 1 d G . P D 1
H128 H 0.807319 0.073313 0.862603 0.117 Uiso 0.766(6) 1 calc R U P D 1
C129 C 0.7179(6) 0.0974(6) 0.8176(4) 0.093(6) Uani 0.766(6) 1 d G . P D 1
H129 H 0.755481 0.105274 0.783588 0.112 Uiso 0.766(6) 1 calc R U P D 1
C130 C 0.5957(10) 0.1212(8) 0.7705(5) 0.073(5) Uani 0.766(6) 1 d . . P D 1
H13O H 0.583539 0.172507 0.753762 0.110 Uiso 0.766(6) 1 calc R U P D 1
H13P H 0.541189 0.110922 0.780928 0.110 Uiso 0.766(6) 1 calc R U P D 1
H13Q H 0.639027 0.090609 0.744881 0.110 Uiso 0.766(6) 1 calc R U P D 1
O1 O 0.8979(5) 0.4174(4) 0.7396(4) 0.082(2) Uani 1 1 d . . . . .
H1 H 0.880079 0.462713 0.736866 0.123 Uiso 1 1 calc R U . . .
C131 C 0.8343(8) 0.3983(7) 0.7281(5) 0.077(4) Uani 1 1 d . . . . .
H13R H 0.777356 0.416203 0.753400 0.093 Uiso 1 1 calc R U . . .
H13S H 0.853526 0.344665 0.734195 0.093 Uiso 1 1 calc R U . . .
C132 C 0.8213(8) 0.4298(7) 0.6703(5) 0.080(4) Uani 1 1 d . . . . .
H13T H 0.796635 0.482957 0.665096 0.120 Uiso 1 1 calc R U . . .
H13U H 0.780781 0.412073 0.663640 0.120 Uiso 1 1 calc R U . . .
H13V H 0.878059 0.414441 0.645072 0.120 Uiso 1 1 calc R U . . .
N1 N 0.8337(6) 0.7197(5) 0.2609(4) 0.062(2) Uani 1 1 d . . . . .
C133 C 0.7354(7) 0.7406(7) 0.2618(5) 0.075(3) Uani 1 1 d . . . . .
H13A H 0.706311 0.721853 0.298114 0.090 Uiso 1 1 calc R U . . .
H13B H 0.707676 0.794294 0.255326 0.090 Uiso 1 1 calc R U . . .
C134 C 0.7189(7) 0.7128(7) 0.2213(5) 0.082(4) Uani 1 1 d . . . . .
H13C H 0.731679 0.659795 0.232577 0.099 Uiso 1 1 calc R U . . .
H13D H 0.757863 0.721486 0.185845 0.099 Uiso 1 1 calc R U . . .
C135 C 0.6212(7) 0.7527(7) 0.2168(6) 0.088(4) Uani 1 1 d . . . . .
H13E H 0.610304 0.805173 0.203073 0.106 Uiso 1 1 calc R U . . .
H13F H 0.582991 0.747627 0.253145 0.106 Uiso 1 1 calc R U . . .
C136 C 0.5958(7) 0.7225(7) 0.1788(5) 0.077(4) Uani 1 1 d . . . . .
H13G H 0.608927 0.669768 0.192138 0.092 Uiso 1 1 calc R U . . .
H13H H 0.531492 0.745902 0.181192 0.092 Uiso 1 1 calc R U . . .
C137 C 0.6430(8) 0.7343(7) 0.1186(5) 0.083(4) Uani 1 1 d . . . . .
H13I H 0.707315 0.713336 0.116487 0.099 Uiso 1 1 calc R U . . .
H13J H 0.627247 0.787187 0.104822 0.099 Uiso 1 1 calc R U . . .
C138 C 0.6218(8) 0.7004(7) 0.0803(5) 0.081(4) Uani 1 1 d . . . . .
H13K H 0.669194 0.696339 0.047389 0.097 Uiso 1 1 calc R U . . .
H13L H 0.624898 0.650390 0.098517 0.097 Uiso 1 1 calc R U . . .
C139 C 0.5376(7) 0.7379(7) 0.0634(5) 0.084(4) Uani 1 1 d . . . . .
H13M H 0.536860 0.785198 0.039910 0.100 Uiso 1 1 calc R U . . .
H13N H 0.489299 0.747738 0.095491 0.100 Uiso 1 1 calc R U . . .
C140 C 0.5226(8) 0.6942(9) 0.0339(5) 0.100(5) Uani 1 1 d . . . . .
H14A H 0.569425 0.685641 0.001493 0.150 Uiso 1 1 calc R U . . .
H14B H 0.465590 0.720611 0.023510 0.150 Uiso 1 1 calc R U . . .
H14C H 0.522872 0.647549 0.057110 0.150 Uiso 1 1 calc R U . . .
C141 C 0.8813(7) 0.7465(7) 0.2071(5) 0.071(3) Uani 1 1 d . . . . .
H14D H 0.887920 0.716444 0.181826 0.086 Uiso 1 1 calc R U . . .
H14E H 0.941185 0.738263 0.210185 0.086 Uiso 1 1 calc R U . . .
C142 C 0.8400(8) 0.8260(7) 0.1823(5) 0.074(3) Uani 1 1 d . . . . .
H14F H 0.777609 0.836909 0.183085 0.089 Uiso 1 1 calc R U . . .
H14G H 0.841791 0.857182 0.204021 0.089 Uiso 1 1 calc R U . . .
C143 C 0.8872(10) 0.8433(8) 0.1254(5) 0.096(5) Uani 1 1 d . . . . .
H14H H 0.872577 0.896594 0.116030 0.115 Uiso 1 1 calc R U . . .
H14I H 0.951122 0.820917 0.124530 0.115 Uiso 1 1 calc R U . . .
C144 C 0.8714(9) 0.8211(9) 0.0817(6) 0.106(5) Uani 1 1 d . . . . .
H14J H 0.915605 0.828182 0.048499 0.128 Uiso 1 1 calc R U . . .
H14K H 0.881179 0.768545 0.091902 0.128 Uiso 1 1 calc R U . . .
C145 C 0.7844(8) 0.8599(7) 0.0699(5) 0.082(4) Uani 1 1 d . . . . .
H14L H 0.773004 0.912700 0.062326 0.098 Uiso 1 1 calc R U . . .
H14M H 0.740536 0.849942 0.102386 0.098 Uiso 1 1 calc R U . . .
C146 C 0.7693(8) 0.8406(8) 0.0212(5) 0.087(4) Uani 1 1 d . . . . .
H14N H 0.819776 0.841488 -0.009422 0.105 Uiso 1 1 calc R U . . .
H14O H 0.769810 0.790203 0.031602 0.105 Uiso 1 1 calc R U . . .
C147 C 0.6890(9) 0.8874(8) 0.0025(5) 0.095(5) Uani 1 1 d . . . . .
H14P H 0.687167 0.938086 -0.006329 0.113 Uiso 1 1 calc R U . . .
H14Q H 0.638453 0.884734 0.032638 0.113 Uiso 1 1 calc R U . . .
C148 C 0.6764(9) 0.8711(8) -0.0452(6) 0.105(5) Uani 1 1 d . . . . .
H14R H 0.721679 0.879427 -0.076698 0.158 Uiso 1 1 calc R U . . .
H14S H 0.618082 0.902979 -0.052199 0.158 Uiso 1 1 calc R U . . .
H14T H 0.681097 0.820282 -0.037973 0.158 Uiso 1 1 calc R U . . .
C149 C 0.8333(8) 0.7559(6) 0.3038(5) 0.072(3) Uani 1 1 d . . . . .
H14U H 0.806238 0.809127 0.292611 0.087 Uiso 1 1 calc R U . . .
H14V H 0.794842 0.741252 0.337700 0.087 Uiso 1 1 calc R U . . .
C150 C 0.9216(10) 0.7395(7) 0.3156(6) 0.103(5) Uani 1 1 d . . . . .
H15A H 0.958640 0.761077 0.284529 0.123 Uiso 1 1 calc R U . . .
H15B H 0.953341 0.686454 0.324027 0.123 Uiso 1 1 calc R U . . .
C151 C 0.8980(10) 0.7752(7) 0.3654(5) 0.090(4) Uani 1 1 d . . . . .
H15C H 0.877929 0.828653 0.353709 0.108 Uiso 1 1 calc R U . . .
H15D H 0.848503 0.763176 0.391789 0.108 Uiso 1 1 calc R U . . .
C152 C 0.9714(12) 0.7519(8) 0.3920(6) 0.126(7) Uani 1 1 d . . . . .
H15E H 1.023869 0.756368 0.364314 0.152 Uiso 1 1 calc R U . . .
H15F H 0.985091 0.699839 0.408699 0.152 Uiso 1 1 calc R U . . .
C153 C 0.9545(9) 0.7939(7) 0.4342(5) 0.092(5) Uani 1 1 d . . . . .
H15G H 0.934409 0.846178 0.418022 0.111 Uiso 1 1 calc R U . . .
H15H H 0.905118 0.785431 0.463173 0.111 Uiso 1 1 calc R U . . .
C154 C 1.0253(13) 0.7788(10) 0.4585(7) 0.151(8) Uani 1 1 d D . . . .
H15I H 1.050078 0.817329 0.439301 0.181 Uiso 1 1 calc R U . . .
H15J H 0.997130 0.788776 0.495426 0.181 Uiso 1 1 calc R U . . .
C155 C 1.0989(12) 0.7141(14) 0.4643(9) 0.265(19) Uani 1 1 d D . . . .
H15K H 1.129275 0.703449 0.427733 0.318 Uiso 1 1 calc R U . . .
H15L H 1.075990 0.674686 0.484110 0.318 Uiso 1 1 calc R U . . .
C156 C 1.1660(8) 0.7079(8) 0.4906(6) 0.096(5) Uani 1 1 d . . . . .
H15M H 1.189876 0.657769 0.509428 0.144 Uiso 1 1 calc R U . . .
H15N H 1.139790 0.740824 0.516506 0.144 Uiso 1 1 calc R U . . .
H15O H 1.213514 0.720863 0.463426 0.144 Uiso 1 1 calc R U . . .
C157 C 0.8805(8) 0.6375(6) 0.2738(5) 0.068(3) Uani 1 1 d . . . . .
H15P H 0.871808 0.616026 0.247847 0.082 Uiso 1 1 calc R U . . .
H15Q H 0.944305 0.627912 0.266546 0.082 Uiso 1 1 calc R U . . .
C158 C 0.8562(11) 0.5978(8) 0.3277(6) 0.130(7) Uani 1 1 d . . . . .
H15R H 0.793387 0.603966 0.335091 0.156 Uiso 1 1 calc R U . . .
H15S H 0.863556 0.618728 0.354547 0.156 Uiso 1 1 calc R U . . .
C159 C 0.9107(8) 0.5187(6) 0.3339(6) 0.078(4) Uani 1 1 d . . . . .
H15T H 0.877339 0.491776 0.329573 0.093 Uiso 1 1 calc R U . . .
H15U H 0.964850 0.511054 0.305248 0.093 Uiso 1 1 calc R U . . .
C160 C 0.9347(11) 0.4897(15) 0.3865(8) 0.236(16) Uani 1 1 d . . . . .
H16A H 0.893089 0.525649 0.409395 0.283 Uiso 1 1 calc R U . . .
H16B H 0.918781 0.445705 0.400902 0.283 Uiso 1 1 calc R U . . .
C161 C 1.0132(10) 0.4711(9) 0.3980(6) 0.104(5) Uani 1 1 d . . . . .
H16C H 1.022459 0.517656 0.391037 0.125 Uiso 1 1 calc R U . . .
H16D H 1.056203 0.444708 0.369284 0.125 Uiso 1 1 calc R U . . .
C162 C 1.0456(11) 0.4295(10) 0.4479(6) 0.126(6) Uani 1 1 d . . . . .
H16E H 1.008050 0.458558 0.476227 0.151 Uiso 1 1 calc R U . . .
H16F H 1.031305 0.384824 0.457617 0.151 Uiso 1 1 calc R U . . .
C163 C 1.1320(12) 0.4072(14) 0.4538(7) 0.185(11) Uani 1 1 d . . . . .
H16G H 1.145500 0.452122 0.444810 0.222 Uiso 1 1 calc R U . . .
H16H H 1.169396 0.379372 0.424732 0.222 Uiso 1 1 calc R U . . .
C164 C 1.1657(12) 0.3653(10) 0.5015(6) 0.138(7) Uani 1 1 d . . . . .
H16I H 1.139815 0.394734 0.529791 0.207 Uiso 1 1 calc R U . . .
H16J H 1.229828 0.351383 0.493055 0.207 Uiso 1 1 calc R U . . .
H16K H 1.150345 0.321544 0.514008 0.207 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1 Au2 2.7859(4) . ?
Au1 Au3 2.7714(4) . ?
Au1 Au4 2.7965(4) . ?
Au1 Au5 2.7719(4) . ?
Au1 Au6 2.7813(4) . ?
Au1 Au7 2.7676(4) . ?
Au1 Au8 2.8044(4) . ?
Au1 Au9 2.7758(4) . ?
Au1 Au10 2.7855(4) . ?
Au1 Au11 2.8014(4) . ?
Au1 Au12 2.7749(4) . ?
Au1 Au13 2.7679(4) . ?
Au2 Au3 2.8519(4) . ?
Au2 Au4 2.8717(4) . ?
Au2 Au5 2.9359(4) . ?
Au2 Au6 2.9489(4) . ?
Au2 Au7 2.9899(4) . ?
Au2 Au14 3.026(3) . ?
Au2 Au15 3.27(2) . ?
Au2 Au16 3.1606(4) . ?
Au2 Au17 3.280(6) . ?
Au2 Au18 3.225(5) . ?
Au2 S1 2.3983(18) . ?
Au3 Au4 2.9710(4) . ?
Au3 Au7 2.9356(4) . ?
Au3 Au8 2.9362(4) . ?
Au3 Au12 2.9344(4) . ?
Au3 Au14 3.001(3) . ?
Au3 Au15 3.22(2) . ?
Au3 Au17 3.277(5) . ?
Au3 Au18 3.247(4) . ?
Au3 Au25 3.2788(4) . ?
Au3 S6 2.3861(17) . ?
Au4 Au5 2.9367(4) . ?
Au4 Au8 3.0114(4) . ?
Au4 Au9 2.8236(4) . ?
Au4 Au14 3.2686(11) . ?
Au4 Au15 3.289(11) . ?
Au4 Au19 3.1498(4) . ?
Au4 Au22 3.0925(4) . ?
Au4 S7 2.4000(18) . ?
Au5 Au6 2.8181(4) . ?
Au5 Au9 2.9669(4) . ?
Au5 Au10 2.9435(4) . ?
Au5 Au16 3.1334(4) . ?
Au5 Au19 3.1071(4) . ?
Au5 Au20 3.1426(4) . ?
Au5 S8 2.3971(18) . ?
Au6 Au7 2.9250(4) . ?
Au6 Au10 3.0057(4) . ?
Au6 Au11 2.8963(4) . ?
Au6 Au16 3.0331(4) . ?
Au6 Au20 3.1445(4) . ?
Au6 Au21 3.2518(4) . ?
Au6 S4 2.3877(18) . ?
Au7 Au11 2.8495(4) . ?
Au7 Au12 2.9773(4) . ?
Au7 Au17 3.054(5) . ?
Au7 Au18 3.099(5) . ?
Au7 Au21 3.1238(4) . ?
Au7 Au23 3.0669(16) . ?
Au7 Au24 3.32(3) . ?
Au7 S5 2.4152(18) . ?
Au8 Au9 2.9100(4) . ?
Au8 Au12 2.8087(4) . ?
Au8 Au13 2.9511(4) . ?
Au8 Au22 3.1673(4) . ?
Au8 Au25 3.1022(4) . ?
Au8 Au28 3.1003(4) . ?
Au8 S12 2.3998(17) . ?
Au9 Au10 2.9861(4) . ?
Au9 Au13 2.9586(4) . ?
Au9 Au19 3.0701(4) . ?
Au9 Au22 3.0888(4) . ?
Au9 Au26 3.1051(4) . ?
Au9 S14 2.4057(17) . ?
Au10 Au11 2.8984(4) . ?
Au10 Au13 2.8156(4) . ?
Au10 Au20 3.2261(4) . ?
Au10 Au26 3.1988(4) . ?
Au10 Au27 3.1136(4) . ?
Au10 S9 2.3834(17) . ?
Au11 Au12 3.0543(4) . ?
Au11 Au13 2.9860(4) . ?
Au11 Au21 3.0480(4) . ?
Au11 Au23 3.2449(19) . ?
Au11 Au24 3.055(15) . ?
Au11 Au27 3.2242(4) . ?
Au11 S15 2.4154(19) . ?
Au12 Au13 2.8832(4) . ?
Au12 Au23 3.0935(16) . ?
Au12 Au24 3.228(14) . ?
Au12 Au25 3.2602(4) . ?
Au12 Au28 3.1093(4) . ?
Au12 S11 2.388(2) . ?
Au13 Au26 3.1563(4) . ?
Au13 Au27 3.0168(4) . ?
Au13 Au28 3.1784(4) . ?
Au13 S18 2.4005(18) . ?
Au14 S2 2.293(3) . ?
Au14 S7 2.331(3) . ?
Au15 S2 2.51(2) . ?
Au15 S7 2.11(2) . ?
Au16 S1 2.3068(18) . ?
Au16 S3 2.3002(18) . ?
Au17 S2 2.336(6) . ?
Au17 S5 2.254(6) . ?
Au18 S2 2.234(8) . ?
Au18 S5 2.359(8) . ?
Au19 S8 2.3119(17) . ?
Au19 S13 2.3104(18) . ?
Au20 S3 2.308(2) . ?
Au20 S9 2.320(2) . ?
Au21 S4 2.315(2) . ?
Au21 S10 2.317(2) . ?
Au22 S12 2.3141(19) . ?
Au22 S13 2.3069(19) . ?
Au23 S10 2.307(3) . ?
Au23 S11 2.300(3) . ?
Au24 S10 2.111(10) . ?
Au24 S11 2.559(19) . ?
Au25 S6 2.3148(18) . ?
Au25 S16 2.3040(19) . ?
Au26 S14 2.3117(19) . ?
Au26 S17 2.2966(19) . ?
Au27 S15 2.3246(19) . ?
Au27 S17 2.3074(18) . ?
Au28 S16 2.3000(19) . ?
Au28 S18 2.3005(19) . ?
S1 C1 1.774(9) . ?
S2 C7 1.784(7) . ?
S3 C13 1.792(8) . ?
S4 C19 1.790(7) . ?
S5 C25 1.788(8) . ?
S6 C31 1.807(8) . ?
S7 C37 1.794(8) . ?
S8 C43 1.792(7) . ?
S9 C49 1.785(8) . ?
S10 C55 1.774(8) . ?
S11 C61 1.761(11) . ?
S12 C72 1.785(8) . ?
S13 C78 1.789(7) . ?
S14 C84 1.792(7) . ?
S15 C90 1.787(8) . ?
S16 C96 1.784(8) . ?
S17 C102 1.794(8) . ?
S18 C112 1.748(11) . ?
S18 C118 1.91(4) . ?
C1 C2 1.398(11) . ?
C1 C6 1.381(11) . ?
C2 H2 0.9500 . ?
C2 C3 1.365(13) . ?
C3 H3 0.9500 . ?
C3 C4 1.403(14) . ?
C4 H4 0.9500 . ?
C4 C5 1.369(12) . ?
C5 H5 0.9500 . ?
C5 C6 1.400(12) . ?
C6 H6 0.9500 . ?
C7 C8 1.362(11) . ?
C7 C12 1.375(11) . ?
C8 H8 0.9500 . ?
C8 C9 1.386(12) . ?
C9 H9 0.9500 . ?
C9 C10 1.371(14) . ?
C10 H10 0.9500 . ?
C10 C11 1.353(13) . ?
C11 H11 0.9500 . ?
C11 C12 1.378(11) . ?
C12 H12 0.9500 . ?
C13 C14 1.386(11) . ?
C13 C18 1.388(10) . ?
C14 H14 0.9500 . ?
C14 C15 1.388(11) . ?
C15 H15 0.9500 . ?
C15 C16 1.391(12) . ?
C16 H16 0.9500 . ?
C16 C17 1.367(12) . ?
C17 H17 0.9500 . ?
C17 C18 1.378(11) . ?
C18 H18 0.9500 . ?
C19 C20 1.383(10) . ?
C19 C24 1.377(10) . ?
C20 H20 0.9500 . ?
C20 C21 1.383(11) . ?
C21 H21 0.9500 . ?
C21 C22 1.359(12) . ?
C22 H22 0.9500 . ?
C22 C23 1.400(12) . ?
C23 H23 0.9500 . ?
C23 C24 1.384(11) . ?
C24 H24 0.9500 . ?
C25 C26 1.385(11) . ?
C25 C30 1.407(12) . ?
C26 H26 0.9500 . ?
C26 C27 1.399(12) . ?
C27 H27 0.9500 . ?
C27 C28 1.390(13) . ?
C28 H28 0.9500 . ?
C28 C29 1.368(12) . ?
C29 H29 0.9500 . ?
C29 C30 1.388(11) . ?
C30 H30 0.9500 . ?
C31 C32 1.387(11) . ?
C31 C36 1.393(11) . ?
C32 H32 0.9500 . ?
C32 C33 1.378(11) . ?
C33 H33 0.9500 . ?
C33 C34 1.404(13) . ?
C34 H34 0.9500 . ?
C34 C35 1.365(14) . ?
C35 H35 0.9500 . ?
C35 C36 1.376(12) . ?
C36 H36 0.9500 . ?
C37 C38 1.363(12) . ?
C37 C42 1.407(12) . ?
C38 H38 0.9500 . ?
C38 C39 1.390(12) . ?
C39 H39 0.9500 . ?
C39 C40 1.398(15) . ?
C40 H40 0.9500 . ?
C40 C41 1.374(15) . ?
C41 H41 0.9500 . ?
C41 C42 1.396(14) . ?
C42 H42 0.9500 . ?
C43 C44 1.374(10) . ?
C43 C48 1.376(10) . ?
C44 H44 0.9500 . ?
C44 C45 1.397(11) . ?
C45 H45 0.9500 . ?
C45 C46 1.353(12) . ?
C46 H46 0.9500 . ?
C46 C47 1.397(12) . ?
C47 H47 0.9500 . ?
C47 C48 1.387(10) . ?
C48 H48 0.9500 . ?
C49 C50 1.403(12) . ?
C49 C54 1.402(11) . ?
C50 H50 0.9500 . ?
C50 C51 1.389(11) . ?
C51 H51 0.9500 . ?
C51 C52 1.395(12) . ?
C52 H52 0.9500 . ?
C52 C53 1.345(14) . ?
C53 H53 0.9500 . ?
C53 C54 1.383(13) . ?
C54 H54 0.9500 . ?
C55 C56 1.398(13) . ?
C55 C60 1.383(12) . ?
C56 H56 0.9500 . ?
C56 C57 1.386(12) . ?
C57 H57 0.9500 . ?
C57 C58 1.399(16) . ?
C58 H58 0.9500 . ?
C58 C59 1.369(18) . ?
C59 H59 0.9500 . ?
C59 C60 1.394(14) . ?
C60 H60 0.9500 . ?
C61 C62 1.46(2) . ?
C61 C66 1.303(18) . ?
C61 C67 1.36(5) . ?
C61 C71 1.68(3) . ?
C62 H62 0.9500 . ?
C62 C63 1.41(2) . ?
C63 H63 0.9500 . ?
C63 C64 1.42(3) . ?
C64 H64 0.9500 . ?
C64 C65 1.29(3) . ?
C65 H65 0.9500 . ?
C65 C66 1.42(2) . ?
C66 H66 0.9500 . ?
C67 H67 0.9500 . ?
C67 C68 1.46(7) . ?
C68 H68 0.9500 . ?
C68 C69 1.42(7) . ?
C69 H69 0.9500 . ?
C69 C70 1.40(6) . ?
C70 H70 0.9500 . ?
C70 C71 1.49(5) . ?
C71 H71 0.9500 . ?
C72 C73 1.369(10) . ?
C72 C77 1.396(10) . ?
C73 H73 0.9500 . ?
C73 C74 1.388(10) . ?
C74 H74 0.9500 . ?
C74 C75 1.377(11) . ?
C75 H75 0.9500 . ?
C75 C76 1.390(11) . ?
C76 H76 0.9500 . ?
C76 C77 1.389(10) . ?
C77 H77 0.9500 . ?
C78 C79 1.404(10) . ?
C78 C83 1.384(11) . ?
C79 H79 0.9500 . ?
C79 C80 1.382(11) . ?
C80 H80 0.9500 . ?
C80 C81 1.371(13) . ?
C81 H81 0.9500 . ?
C81 C82 1.375(12) . ?
C82 H82 0.9500 . ?
C82 C83 1.382(11) . ?
C83 H83 0.9500 . ?
C84 C85 1.400(10) . ?
C84 C89 1.370(10) . ?
C85 H85 0.9500 . ?
C85 C86 1.389(11) . ?
C86 H86 0.9500 . ?
C86 C87 1.388(12) . ?
C87 H87 0.9500 . ?
C87 C88 1.380(12) . ?
C88 H88 0.9500 . ?
C88 C89 1.388(10) . ?
C89 H89 0.9500 . ?
C90 C91 1.376(12) . ?
C90 C95 1.407(12) . ?
C91 H91 0.9500 . ?
C91 C92 1.394(12) . ?
C92 H92 0.9500 . ?
C92 C93 1.397(14) . ?
C93 H93 0.9500 . ?
C93 C94 1.369(14) . ?
C94 H94 0.9500 . ?
C94 C95 1.393(13) . ?
C95 H95 0.9500 . ?
C96 C97 1.393(10) . ?
C96 C101 1.378(11) . ?
C97 H97 0.9500 . ?
C97 C98 1.385(11) . ?
C98 H98 0.9500 . ?
C98 C99 1.358(12) . ?
C99 H99 0.9500 . ?
C99 C100 1.394(11) . ?
C100 H100 0.9500 . ?
C100 C101 1.404(11) . ?
C101 H101 0.9500 . ?
C102 C103 1.367(12) . ?
C102 C107 1.374(11) . ?
C102 C108 1.377(17) . ?
C102 C111 1.375(17) . ?
C103 H103 0.9500 . ?
C103 C104 1.395(13) . ?
C104 H104 0.9500 . ?
C104 C105 1.342(13) . ?
C105 H105 0.9500 . ?
C105 H10A 0.9500 . ?
C105 C106 1.367(13) . ?
C105 C109 1.361(18) . ?
C105 C110 1.346(18) . ?
C106 H106 0.9500 . ?
C106 C107 1.423(12) . ?
C107 H107 0.9500 . ?
C108 H108 0.9500 . ?
C108 C109 1.409(18) . ?
C109 H109 0.9500 . ?
C110 H110 0.9500 . ?
C110 C111 1.410(19) . ?
C111 H111 0.9500 . ?
C112 C113 1.356(19) . ?
C112 C117 1.383(17) . ?
C113 H113 0.9500 . ?
C113 C114 1.40(2) . ?
C114 H114 0.9500 . ?
C114 C115 1.37(3) . ?
C115 H115 0.9500 . ?
C115 C116 1.33(3) . ?
C116 H116 0.9500 . ?
C116 C117 1.39(2) . ?
C117 H117 0.9500 . ?
C118 C119 1.41(5) . ?
C118 C123 1.34(5) . ?
C119 H119 0.9500 . ?
C119 C120 1.44(8) . ?
C120 H120 0.9500 . ?
C120 C121 1.39(9) . ?
C121 H121 0.9500 . ?
C121 C122 1.31(5) . ?
C122 H122 0.9500 . ?
C122 C123 1.39(5) . ?
C123 H123 0.9500 . ?
C124 C125 1.3900 . ?
C124 C129 1.3900 . ?
C124 C130 1.526(16) . ?
C125 H125 0.9500 . ?
C125 C126 1.3900 . ?
C126 H126 0.9500 . ?
C126 C127 1.3900 . ?
C127 H127 0.9500 . ?
C127 C128 1.3900 . ?
C128 H128 0.9500 . ?
C128 C129 1.3900 . ?
C129 H129 0.9500 . ?
C130 H13O 0.9800 . ?
C130 H13P 0.9800 . ?
C130 H13Q 0.9800 . ?
O1 H1 0.8400 . ?
O1 C131 1.432(13) . ?
C131 H13R 0.9900 . ?
C131 H13S 0.9900 . ?
C131 C132 1.532(16) . ?
C132 H13T 0.9800 . ?
C132 H13U 0.9800 . ?
C132 H13V 0.9800 . ?
N1 C133 1.546(13) . ?
N1 C141 1.488(14) . ?
N1 C149 1.524(13) . ?
N1 C157 1.527(14) . ?
C133 H13A 0.9900 . ?
C133 H13B 0.9900 . ?
C133 C134 1.493(15) . ?
C134 H13C 0.9900 . ?
C134 H13D 0.9900 . ?
C134 C135 1.553(14) . ?
C135 H13E 0.9900 . ?
C135 H13F 0.9900 . ?
C135 C136 1.562(17) . ?
C136 H13G 0.9900 . ?
C136 H13H 0.9900 . ?
C136 C137 1.554(16) . ?
C137 H13I 0.9900 . ?
C137 H13J 0.9900 . ?
C137 C138 1.578(16) . ?
C138 H13K 0.9900 . ?
C138 H13L 0.9900 . ?
C138 C139 1.464(15) . ?
C139 H13M 0.9900 . ?
C139 H13N 0.9900 . ?
C139 C140 1.483(17) . ?
C140 H14A 0.9800 . ?
C140 H14B 0.9800 . ?
C140 H14C 0.9800 . ?
C141 H14D 0.9900 . ?
C141 H14E 0.9900 . ?
C141 C142 1.522(16) . ?
C142 H14F 0.9900 . ?
C142 H14G 0.9900 . ?
C142 C143 1.500(16) . ?
C143 H14H 0.9900 . ?
C143 H14I 0.9900 . ?
C143 C144 1.487(16) . ?
C144 H14J 0.9900 . ?
C144 H14K 0.9900 . ?
C144 C145 1.453(16) . ?
C145 H14L 0.9900 . ?
C145 H14M 0.9900 . ?
C145 C146 1.573(16) . ?
C146 H14N 0.9900 . ?
C146 H14O 0.9900 . ?
C146 C147 1.452(16) . ?
C147 H14P 0.9900 . ?
C147 H14Q 0.9900 . ?
C147 C148 1.492(16) . ?
C148 H14R 0.9800 . ?
C148 H14S 0.9800 . ?
C148 H14T 0.9800 . ?
C149 H14U 0.9900 . ?
C149 H14V 0.9900 . ?
C149 C150 1.516(16) . ?
C150 H15A 0.9900 . ?
C150 H15B 0.9900 . ?
C150 C151 1.559(16) . ?
C151 H15C 0.9900 . ?
C151 H15D 0.9900 . ?
C151 C152 1.465(18) . ?
C152 H15E 0.9900 . ?
C152 H15F 0.9900 . ?
C152 C153 1.495(16) . ?
C153 H15G 0.9900 . ?
C153 H15H 0.9900 . ?
C153 C154 1.423(19) . ?
C154 H15I 0.9900 . ?
C154 H15J 0.9900 . ?
C154 C155 1.412(16) . ?
C155 H15K 0.9900 . ?
C155 H15L 0.9900 . ?
C155 C156 1.460(19) . ?
C156 H15M 0.9800 . ?
C156 H15N 0.9800 . ?
C156 H15O 0.9800 . ?
C157 H15P 0.9900 . ?
C157 H15Q 0.9900 . ?
C157 C158 1.462(17) . ?
C158 H15R 0.9900 . ?
C158 H15S 0.9900 . ?
C158 C159 1.494(17) . ?
C159 H15T 0.9900 . ?
C159 H15U 0.9900 . ?
C159 C160 1.46(2) . ?
C160 H16A 0.9900 . ?
C160 H16B 0.9900 . ?
C160 C161 1.34(2) . ?
C161 H16C 0.9900 . ?
C161 H16D 0.9900 . ?
C161 C162 1.482(18) . ?
C162 H16E 0.9900 . ?
C162 H16F 0.9900 . ?
C162 C163 1.399(19) . ?
C163 H16G 0.9900 . ?
C163 H16H 0.9900 . ?
C163 C164 1.44(2) . ?
C164 H16I 0.9800 . ?
C164 H16J 0.9800 . ?
C164 H16K 0.9800 . ?

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
Au2 Au1 Au4 61.917(10) . . ?
Au2 Au1 Au8 115.210(12) . . ?
Au2 Au1 Au11 116.132(12) . . ?
Au3 Au1 Au2 61.750(10) . . ?
Au3 Au1 Au4 64.496(10) . . ?
Au3 Au1 Au5 117.053(12) . . ?
Au3 Au1 Au6 115.634(11) . . ?
Au3 Au1 Au8 63.549(9) . . ?
Au3 Au1 Au9 114.710(12) . . ?
Au3 Au1 Au10 178.785(13) . . ?
Au3 Au1 Au11 117.164(12) . . ?
Au3 Au1 Au12 63.885(10) . . ?
Au4 Au1 Au8 65.051(9) . . ?
Au4 Au1 Au11 176.851(12) . . ?
Au5 Au1 Au2 63.773(10) . . ?
Au5 Au1 Au4 63.656(10) . . ?
Au5 Au1 Au6 60.990(10) . . ?
Au5 Au1 Au8 119.009(12) . . ?
Au5 Au1 Au9 64.660(10) . . ?
Au5 Au1 Au10 63.963(10) . . ?
Au5 Au1 Au11 113.390(12) . . ?
Au5 Au1 Au12 178.735(13) . . ?
Au6 Au1 Au2 63.969(10) . . ?
Au6 Au1 Au4 114.450(12) . . ?
Au6 Au1 Au8 179.141(13) . . ?
Au6 Au1 Au10 65.357(9) . . ?
Au6 Au1 Au11 62.503(10) . . ?
Au7 Au1 Au2 65.147(10) . . ?
Au7 Au1 Au3 64.009(10) . . ?
Au7 Au1 Au4 118.302(12) . . ?
Au7 Au1 Au5 116.111(12) . . ?
Au7 Au1 Au6 63.623(10) . . ?
Au7 Au1 Au8 115.902(11) . . ?
Au7 Au1 Au9 178.667(13) . . ?
Au7 Au1 Au10 116.319(12) . . ?
Au7 Au1 Au11 61.547(10) . . ?
Au7 Au1 Au12 64.983(10) . . ?
Au7 Au1 Au13 115.589(13) . . ?
Au9 Au1 Au2 114.739(13) . . ?
Au9 Au1 Au4 60.890(10) . . ?
Au9 Au1 Au6 117.606(11) . . ?
Au9 Au1 Au8 62.862(9) . . ?
Au9 Au1 Au10 64.953(9) . . ?
Au9 Au1 Au11 119.326(12) . . ?
Au10 Au1 Au2 119.465(12) . . ?
Au10 Au1 Au4 115.899(12) . . ?
Au10 Au1 Au8 115.463(11) . . ?
Au10 Au1 Au11 62.502(10) . . ?
Au11 Au1 Au8 118.007(12) . . ?
Au12 Au1 Au2 117.473(12) . . ?
Au12 Au1 Au4 116.558(12) . . ?
Au12 Au1 Au6 119.569(12) . . ?
Au12 Au1 Au8 60.451(10) . . ?
Au12 Au1 Au9 114.260(12) . . ?
Au12 Au1 Au10 115.088(12) . . ?
Au12 Au1 Au11 66.421(10) . . ?
Au13 Au1 Au2 179.024(14) . . ?
Au13 Au1 Au3 117.858(12) . . ?
Au13 Au1 Au4 117.117(12) . . ?
Au13 Au1 Au5 116.063(12) . . ?
Au13 Au1 Au6 116.870(12) . . ?
Au13 Au1 Au8 63.953(10) . . ?
Au13 Au1 Au9 64.509(10) . . ?
Au13 Au1 Au10 60.927(10) . . ?
Au13 Au1 Au11 64.841(10) . . ?
Au13 Au1 Au12 62.687(10) . . ?
Au1 Au2 Au3 58.875(9) . . ?
Au1 Au2 Au4 59.222(9) . . ?
Au1 Au2 Au5 57.882(9) . . ?
Au1 Au2 Au6 57.940(9) . . ?
Au1 Au2 Au7 57.130(9) . . ?
Au1 Au2 Au14 112.28(3) . . ?
Au1 Au2 Au15 111.7(2) . . ?
Au1 Au2 Au16 108.694(11) . . ?
Au1 Au2 Au17 107.91(10) . . ?
Au1 Au2 Au18 109.04(10) . . ?
Au3 Au2 Au4 62.541(10) . . ?
Au3 Au2 Au5 109.535(11) . . ?
Au3 Au2 Au6 108.212(12) . . ?
Au3 Au2 Au7 60.278(9) . . ?
Au3 Au2 Au14 61.31(4) . . ?
Au3 Au2 Au15 63.0(3) . . ?
Au3 Au2 Au16 167.112(13) . . ?
Au3 Au2 Au17 64.15(10) . . ?
Au3 Au2 Au18 64.25(7) . . ?
Au4 Au2 Au5 60.739(9) . . ?
Au4 Au2 Au6 107.355(11) . . ?
Au4 Au2 Au7 109.147(11) . . ?
Au4 Au2 Au14 67.26(4) . . ?
Au4 Au2 Au15 64.4(3) . . ?
Au4 Au2 Au16 115.631(12) . . ?
Au4 Au2 Au17 122.40(10) . . ?
Au4 Au2 Au18 121.79(8) . . ?
Au5 Au2 Au6 57.224(9) . . ?
Au5 Au2 Au7 104.975(11) . . ?
Au5 Au2 Au14 122.83(5) . . ?
Au5 Au2 Au15 119.0(4) . . ?
Au5 Au2 Au16 61.726(9) . . ?
Au5 Au2 Au17 163.05(10) . . ?
Au5 Au2 Au18 164.64(12) . . ?
Au6 Au2 Au7 59.008(9) . . ?
Au6 Au2 Au14 169.40(3) . . ?
Au6 Au2 Au15 169.7(2) . . ?
Au6 Au2 Au16 59.411(9) . . ?
Au6 Au2 Au17 108.42(10) . . ?
Au6 Au2 Au18 110.02(13) . . ?
Au7 Au2 Au14 113.18(5) . . ?
Au7 Au2 Au15 116.5(4) . . ?
Au7 Au2 Au16 111.210(11) . . ?
Au7 Au2 Au17 58.08(10) . . ?
Au7 Au2 Au18 59.67(12) . . ?
Au14 Au2 Au16 130.92(4) . . ?
Au14 Au2 Au18 67.89(13) . . ?
Au15 Au2 Au17 73.4(4) . . ?
Au16 Au2 Au15 128.9(3) . . ?
Au16 Au2 Au17 121.19(10) . . ?
Au16 Au2 Au18 121.48(8) . . ?
S1 Au2 Au1 151.83(5) . . ?
S1 Au2 Au3 144.04(5) . . ?
S1 Au2 Au4 137.31(5) . . ?
S1 Au2 Au5 106.23(5) . . ?
S1 Au2 Au6 94.07(5) . . ?
S1 Au2 Au7 113.54(5) . . ?
S1 Au2 Au14 95.87(5) . . ?
S1 Au2 Au15 96.3(2) . . ?
S1 Au2 Au16 46.58(4) . . ?
S1 Au2 Au17 82.40(11) . . ?
S1 Au2 Au18 81.93(9) . . ?
Au1 Au3 Au2 59.375(9) . . ?
Au1 Au3 Au4 58.161(9) . . ?
Au1 Au3 Au7 57.932(9) . . ?
Au1 Au3 Au8 58.772(9) . . ?
Au1 Au3 Au12 58.116(9) . . ?
Au1 Au3 Au14 113.48(3) . . ?
Au1 Au3 Au15 113.7(2) . . ?
Au1 Au3 Au17 108.38(10) . . ?
Au1 Au3 Au18 108.82(8) . . ?
Au1 Au3 Au25 110.224(11) . . ?
Au2 Au3 Au4 59.056(9) . . ?
Au2 Au3 Au7 62.192(10) . . ?
Au2 Au3 Au8 109.270(11) . . ?
Au2 Au3 Au12 110.460(11) . . ?
Au2 Au3 Au14 62.21(4) . . ?
Au2 Au3 Au15 64.9(3) . . ?
Au2 Au3 Au17 64.29(10) . . ?
Au2 Au3 Au18 63.47(9) . . ?
Au2 Au3 Au25 168.721(12) . . ?
Au4 Au3 Au14 66.37(3) . . ?
Au4 Au3 Au15 64.0(3) . . ?
Au4 Au3 Au17 119.34(11) . . ?
Au4 Au3 Au18 117.93(12) . . ?
Au4 Au3 Au25 112.688(11) . . ?
Au7 Au3 Au4 107.943(11) . . ?
Au7 Au3 Au8 107.089(11) . . ?
Au7 Au3 Au14 115.55(6) . . ?
Au7 Au3 Au15 119.8(4) . . ?
Au7 Au3 Au17 58.59(10) . . ?
Au7 Au3 Au18 59.91(11) . . ?
Au7 Au3 Au25 117.464(12) . . ?
Au8 Au3 Au4 61.296(9) . . ?
Au8 Au3 Au14 119.87(5) . . ?
Au8 Au3 Au15 115.8(4) . . ?
Au8 Au3 Au17 165.62(10) . . ?
Au8 Au3 Au18 166.72(10) . . ?
Au8 Au3 Au25 59.584(9) . . ?
Au12 Au3 Au4 106.739(11) . . ?
Au12 Au3 Au7 60.956(10) . . ?
Au12 Au3 Au8 57.167(9) . . ?
Au12 Au3 Au14 171.59(3) . . ?
Au12 Au3 Au15 170.8(3) . . ?
Au12 Au3 Au17 111.66(10) . . ?
Au12 Au3 Au18 113.45(13) . . ?
Au12 Au3 Au25 63.013(9) . . ?
Au14 Au3 Au18 67.89(15) . . ?
Au14 Au3 Au25 123.43(5) . . ?
Au15 Au3 Au17 74.2(4) . . ?
Au15 Au3 Au25 120.1(3) . . ?
Au17 Au3 Au25 126.05(10) . . ?
Au18 Au3 Au25 127.01(10) . . ?
S6 Au3 Au1 153.74(4) . . ?
S6 Au3 Au2 144.29(5) . . ?
S6 Au3 Au4 117.58(5) . . ?
S6 Au3 Au7 134.46(5) . . ?
S6 Au3 Au8 95.71(4) . . ?
S6 Au3 Au12 104.43(5) . . ?
S6 Au3 Au14 83.46(6) . . ?
S6 Au3 Au15 81.6(3) . . ?
S6 Au3 Au17 96.10(11) . . ?
S6 Au3 Au18 95.95(9) . . ?
S6 Au3 Au25 44.89(4) . . ?
Au1 Au4 Au2 58.861(9) . . ?
Au1 Au4 Au3 57.343(9) . . ?
Au1 Au4 Au5 57.765(9) . . ?
Au1 Au4 Au8 57.601(9) . . ?
Au1 Au4 Au9 59.193(9) . . ?
Au1 Au4 Au14 105.24(7) . . ?
Au1 Au4 Au15 111.0(5) . . ?
Au1 Au4 Au19 108.492(11) . . ?
Au1 Au4 Au22 110.786(11) . . ?
Au2 Au4 Au3 58.403(9) . . ?
Au2 Au4 Au5 60.712(9) . . ?
Au2 Au4 Au8 106.686(12) . . ?
Au2 Au4 Au14 58.62(6) . . ?
Au2 Au4 Au15 63.7(5) . . ?
Au2 Au4 Au19 115.156(11) . . ?
Au2 Au4 Au22 168.938(13) . . ?
Au3 Au4 Au8 58.782(9) . . ?
Au3 Au4 Au14 57.25(5) . . ?
Au3 Au4 Au15 61.7(5) . . ?
Au3 Au4 Au19 165.800(12) . . ?
Au3 Au4 Au22 113.712(11) . . ?
Au5 Au4 Au3 106.312(11) . . ?
Au5 Au4 Au8 107.759(11) . . ?
Au5 Au4 Au14 114.96(5) . . ?
Au5 Au4 Au15 118.4(4) . . ?
Au5 Au4 Au19 61.274(9) . . ?
Au5 Au4 Au22 118.617(11) . . ?
Au8 Au4 Au14 109.74(4) . . ?
Au8 Au4 Au15 111.7(3) . . ?
Au8 Au4 Au19 116.275(11) . . ?
Au8 Au4 Au22 62.501(9) . . ?
Au9 Au4 Au2 110.652(11) . . ?
Au9 Au4 Au3 107.402(12) . . ?
Au9 Au4 Au5 61.967(9) . . ?
Au9 Au4 Au8 59.727(9) . . ?
Au9 Au4 Au14 163.90(6) . . ?
Au9 Au4 Au15 169.0(5) . . ?
Au9 Au4 Au19 61.570(10) . . ?
Au9 Au4 Au22 62.753(9) . . ?
Au19 Au4 Au14 132.54(4) . . ?
Au19 Au4 Au15 129.0(4) . . ?
Au22 Au4 Au14 125.48(5) . . ?
Au22 Au4 Au15 121.0(4) . . ?
Au22 Au4 Au19 70.532(9) . . ?
S7 Au4 Au1 147.56(5) . . ?
S7 Au4 Au2 101.68(4) . . ?
S7 Au4 Au3 90.67(5) . . ?
S7 Au4 Au5 139.04(5) . . ?
S7 Au4 Au8 112.88(5) . . ?
S7 Au4 Au9 147.62(5) . . ?
S7 Au4 Au14 45.44(8) . . ?
S7 Au4 Au15 39.7(5) . . ?
S7 Au4 Au19 103.31(5) . . ?
S7 Au4 Au22 85.56(4) . . ?
Au1 Au5 Au2 58.345(9) . . ?
Au1 Au5 Au4 58.579(9) . . ?
Au1 Au5 Au6 59.670(10) . . ?
Au1 Au5 Au9 57.733(9) . . ?
Au1 Au5 Au10 58.243(9) . . ?
Au1 Au5 Au16 109.833(12) . . ?
Au1 Au5 Au19 110.356(11) . . ?
Au1 Au5 Au20 111.494(12) . . ?
Au2 Au5 Au4 58.549(9) . . ?
Au2 Au5 Au9 105.026(11) . . ?
Au2 Au5 Au10 109.858(12) . . ?
Au2 Au5 Au16 62.667(9) . . ?
Au2 Au5 Au19 114.564(11) . . ?
Au2 Au5 Au20 118.755(11) . . ?
Au4 Au5 Au9 57.144(9) . . ?
Au4 Au5 Au10 107.143(11) . . ?
Au4 Au5 Au16 114.549(11) . . ?
Au4 Au5 Au19 62.747(9) . . ?
Au4 Au5 Au20 169.994(13) . . ?
Au6 Au5 Au2 61.621(9) . . ?
Au6 Au5 Au4 109.147(11) . . ?
Au6 Au5 Au9 110.484(12) . . ?
Au6 Au5 Au10 62.845(10) . . ?
Au6 Au5 Au16 61.007(10) . . ?
Au6 Au5 Au19 170.021(12) . . ?
Au6 Au5 Au20 63.404(9) . . ?
Au9 Au5 Au16 167.013(12) . . ?
Au9 Au5 Au19 60.670(9) . . ?
Au9 Au5 Au20 117.752(11) . . ?
Au10 Au5 Au9 60.693(9) . . ?
Au10 Au5 Au16 117.763(12) . . ?
Au10 Au5 Au19 112.665(11) . . ?
Au10 Au5 Au20 63.923(10) . . ?
Au16 Au5 Au20 68.661(10) . . ?
Au19 Au5 Au16 126.712(12) . . ?
Au19 Au5 Au20 123.813(11) . . ?
S8 Au5 Au1 153.41(4) . . ?
S8 Au5 Au2 138.34(4) . . ?
S8 Au5 Au4 108.41(4) . . ?
S8 Au5 Au6 141.76(4) . . ?
S8 Au5 Au9 95.69(4) . . ?
S8 Au5 Au10 111.79(4) . . ?
S8 Au5 Au16 96.62(4) . . ?
S8 Au5 Au19 47.54(4) . . ?
S8 Au5 Au20 80.03(4) . . ?
Au1 Au6 Au2 58.090(9) . . ?
Au1 Au6 Au5 59.339(9) . . ?
Au1 Au6 Au7 57.959(9) . . ?
Au1 Au6 Au10 57.388(9) . . ?
Au1 Au6 Au11 59.087(10) . . ?
Au1 Au6 Au16 112.511(12) . . ?
Au1 Au6 Au20 111.177(11) . . ?
Au1 Au6 Au21 107.986(11) . . ?
Au2 Au6 Au10 107.817(11) . . ?
Au2 Au6 Au16 63.770(10) . . ?
Au2 Au6 Au20 118.286(12) . . ?
Au2 Au6 Au21 115.419(11) . . ?
Au5 Au6 Au2 61.156(9) . . ?
Au5 Au6 Au7 109.851(11) . . ?
Au5 Au6 Au10 60.617(9) . . ?
Au5 Au6 Au11 109.191(12) . . ?
Au5 Au6 Au16 64.635(10) . . ?
Au5 Au6 Au20 63.335(10) . . ?
Au5 Au6 Au21 167.157(12) . . ?
Au7 Au6 Au2 61.195(10) . . ?
Au7 Au6 Au10 105.384(11) . . ?
Au7 Au6 Au16 116.842(12) . . ?
Au7 Au6 Au20 168.360(12) . . ?
Au7 Au6 Au21 60.486(9) . . ?
Au10 Au6 Au16 119.004(12) . . ?
Au10 Au6 Au20 63.229(9) . . ?
Au10 Au6 Au21 111.983(12) . . ?
Au11 Au6 Au2 108.423(11) . . ?
Au11 Au6 Au7 58.611(10) . . ?
Au11 Au6 Au10 58.790(9) . . ?
Au11 Au6 Au16 171.497(12) . . ?
Au11 Au6 Au20 113.350(12) . . ?
Au11 Au6 Au21 59.103(9) . . ?
Au16 Au6 Au20 69.886(10) . . ?
Au16 Au6 Au21 126.335(12) . . ?
Au20 Au6 Au21 124.476(11) . . ?
S4 Au6 Au1 152.51(5) . . ?
S4 Au6 Au2 121.09(5) . . ?
S4 Au6 Au5 147.51(5) . . ?
S4 Au6 Au7 96.37(5) . . ?
S4 Au6 Au10 131.04(5) . . ?
S4 Au6 Au11 100.64(5) . . ?
S4 Au6 Au16 86.80(5) . . ?
S4 Au6 Au20 93.44(5) . . ?
S4 Au6 Au21 45.33(5) . . ?
Au1 Au7 Au2 57.722(9) . . ?
Au1 Au7 Au3 58.059(9) . . ?
Au1 Au7 Au6 58.418(10) . . ?
Au1 Au7 Au11 59.810(10) . . ?
Au1 Au7 Au12 57.628(9) . . ?
Au1 Au7 Au17 115.04(11) . . ?
Au1 Au7 Au18 113.24(13) . . ?
Au1 Au7 Au21 112.001(11) . . ?
Au1 Au7 Au23 111.16(3) . . ?
Au1 Au7 Au24 106.7(5) . . ?
Au2 Au7 Au17 65.73(11) . . ?
Au2 Au7 Au18 63.94(13) . . ?
Au2 Au7 Au21 118.120(11) . . ?
Au2 Au7 Au23 167.15(2) . . ?
Au2 Au7 Au24 164.4(5) . . ?
Au3 Au7 Au2 57.530(9) . . ?
Au3 Au7 Au12 59.503(9) . . ?
Au3 Au7 Au17 66.29(11) . . ?
Au3 Au7 Au18 65.04(11) . . ?
Au3 Au7 Au21 170.049(12) . . ?
Au3 Au7 Au23 112.10(5) . . ?
Au3 Au7 Au24 115.8(2) . . ?
Au6 Au7 Au2 59.797(9) . . ?
Au6 Au7 Au3 106.623(12) . . ?
Au6 Au7 Au12 108.872(11) . . ?
Au6 Au7 Au17 115.47(11) . . ?
Au6 Au7 Au18 114.28(11) . . ?
Au6 Au7 Au21 64.942(10) . . ?
Au6 Au7 Au23 121.90(7) . . ?
Au6 Au7 Au24 114.1(6) . . ?
Au11 Au7 Au2 108.562(11) . . ?
Au11 Au7 Au3 110.577(11) . . ?
Au11 Au7 Au6 60.192(10) . . ?
Au11 Au7 Au12 63.183(9) . . ?
Au11 Au7 Au17 174.27(11) . . ?
Au11 Au7 Au18 172.43(14) . . ?
Au11 Au7 Au21 61.159(9) . . ?
Au11 Au7 Au23 66.40(6) . . ?
Au11 Au7 Au24 58.8(6) . . ?
Au12 Au7 Au2 105.608(11) . . ?
Au12 Au7 Au17 116.98(11) . . ?
Au12 Au7 Au18 116.63(8) . . ?
Au12 Au7 Au21 116.891(12) . . ?
Au12 Au7 Au23 61.55(2) . . ?
Au12 Au7 Au24 61.4(2) . . ?
Au17 Au7 Au21 121.40(11) . . ?
Au17 Au7 Au24 126.7(6) . . ?
Au18 Au7 Au21 122.46(10) . . ?
Au21 Au7 Au24 65.8(3) . . ?
Au23 Au7 Au18 120.65(14) . . ?
Au23 Au7 Au21 70.73(6) . . ?
S5 Au7 Au1 161.50(5) . . ?
S5 Au7 Au2 108.47(5) . . ?
S5 Au7 Au3 104.84(5) . . ?
S5 Au7 Au6 128.26(5) . . ?
S5 Au7 Au11 138.43(5) . . ?
S5 Au7 Au12 122.39(5) . . ?
S5 Au7 Au17 46.91(12) . . ?
S5 Au7 Au18 48.74(14) . . ?
S5 Au7 Au21 84.95(5) . . ?
S5 Au7 Au23 80.72(6) . . ?
S5 Au7 Au24 86.6(6) . . ?
Au1 Au8 Au3 57.679(9) . . ?
Au1 Au8 Au4 57.348(9) . . ?
Au1 Au8 Au9 58.089(9) . . ?
Au1 Au8 Au12 59.256(9) . . ?
Au1 Au8 Au13 57.424(9) . . ?
Au1 Au8 Au22 108.461(11) . . ?
Au1 Au8 Au25 114.535(11) . . ?
Au1 Au8 Au28 111.405(12) . . ?
Au3 Au8 Au4 59.922(9) . . ?
Au3 Au8 Au13 107.395(11) . . ?
Au3 Au8 Au22 112.529(11) . . ?
Au3 Au8 Au25 65.707(9) . . ?
Au3 Au8 Au28 118.390(12) . . ?
Au4 Au8 Au22 60.003(9) . . ?
Au4 Au8 Au25 116.715(11) . . ?
Au4 Au8 Au28 168.336(12) . . ?
Au9 Au8 Au3 106.061(11) . . ?
Au9 Au8 Au4 56.927(9) . . ?
Au9 Au8 Au13 60.629(10) . . ?
Au9 Au8 Au22 60.920(9) . . ?
Au9 Au8 Au25 171.729(12) . . ?
Au9 Au8 Au28 115.835(12) . . ?
Au12 Au8 Au3 61.384(10) . . ?
Au12 Au8 Au4 108.980(11) . . ?
Au12 Au8 Au9 109.206(11) . . ?
Au12 Au8 Au13 60.015(9) . . ?
Au12 Au8 Au22 167.685(12) . . ?
Au12 Au8 Au25 66.733(10) . . ?
Au12 Au8 Au28 63.270(10) . . ?
Au13 Au8 Au4 105.535(11) . . ?
Au13 Au8 Au22 115.540(11) . . ?
Au13 Au8 Au25 119.869(12) . . ?
Au13 Au8 Au28 63.312(9) . . ?
Au25 Au8 Au22 121.967(11) . . ?
Au28 Au8 Au22 126.565(11) . . ?
Au28 Au8 Au25 69.432(10) . . ?
S12 Au8 Au1 154.35(5) . . ?
S12 Au8 Au3 130.77(4) . . ?
S12 Au8 Au4 103.29(5) . . ?
S12 Au8 Au9 97.99(4) . . ?
S12 Au8 Au12 145.64(5) . . ?
S12 Au8 Au13 121.83(4) . . ?
S12 Au8 Au22 46.65(5) . . ?
S12 Au8 Au25 88.55(4) . . ?
S12 Au8 Au28 86.37(5) . . ?
Au1 Au9 Au4 59.917(9) . . ?
Au1 Au9 Au5 57.607(9) . . ?
Au1 Au9 Au8 59.049(9) . . ?
Au1 Au9 Au10 57.681(9) . . ?
Au1 Au9 Au13 57.617(9) . . ?
Au1 Au9 Au19 111.328(12) . . ?
Au1 Au9 Au22 111.469(11) . . ?
Au1 Au9 Au26 111.555(12) . . ?
Au4 Au9 Au5 60.890(9) . . ?
Au4 Au9 Au8 63.346(10) . . ?
Au4 Au9 Au10 109.015(11) . . ?
Au4 Au9 Au13 110.358(11) . . ?
Au4 Au9 Au19 64.454(10) . . ?
Au4 Au9 Au22 62.886(9) . . ?
Au4 Au9 Au26 171.433(13) . . ?
Au5 Au9 Au10 59.266(9) . . ?
Au5 Au9 Au19 61.924(9) . . ?
Au5 Au9 Au22 117.784(12) . . ?
Au5 Au9 Au26 114.785(11) . . ?
Au8 Au9 Au5 109.687(11) . . ?
Au8 Au9 Au10 106.565(12) . . ?
Au8 Au9 Au13 60.372(9) . . ?
Au8 Au9 Au19 122.099(12) . . ?
Au8 Au9 Au22 63.658(9) . . ?
Au8 Au9 Au26 113.966(12) . . ?
Au10 Au9 Au19 112.524(11) . . ?
Au10 Au9 Au22 169.038(12) . . ?
Au10 Au9 Au26 63.321(9) . . ?
Au13 Au9 Au5 104.959(11) . . ?
Au13 Au9 Au10 56.538(9) . . ?
Au13 Au9 Au19 166.882(12) . . ?
Au13 Au9 Au22 117.739(11) . . ?
Au13 Au9 Au26 62.680(9) . . ?
Au19 Au9 Au22 71.640(10) . . ?
Au19 Au9 Au26 121.124(11) . . ?
Au22 Au9 Au26 124.114(11) . . ?
S14 Au9 Au1 158.82(4) . . ?
S14 Au9 Au4 140.89(5) . . ?
S14 Au9 Au5 122.84(4) . . ?
S14 Au9 Au8 127.34(4) . . ?
S14 Au9 Au10 103.01(4) . . ?
S14 Au9 Au13 105.77(5) . . ?
S14 Au9 Au19 83.02(5) . . ?
S14 Au9 Au22 87.43(4) . . ?
S14 Au9 Au26 47.54(4) . . ?
Au1 Au10 Au5 57.794(9) . . ?
Au1 Au10 Au6 57.255(9) . . ?
Au1 Au10 Au9 57.366(9) . . ?
Au1 Au10 Au11 59.017(9) . . ?
Au1 Au10 Au13 59.229(9) . . ?
Au1 Au10 Au20 108.747(11) . . ?
Au1 Au10 Au26 108.615(11) . . ?
Au1 Au10 Au27 110.560(12) . . ?
Au5 Au10 Au6 56.538(9) . . ?
Au5 Au10 Au9 60.041(9) . . ?
Au5 Au10 Au20 61.040(9) . . ?
Au5 Au10 Au26 112.716(11) . . ?
Au5 Au10 Au27 168.350(12) . . ?
Au6 Au10 Au20 60.485(9) . . ?
Au6 Au10 Au26 164.857(12) . . ?
Au6 Au10 Au27 118.445(12) . . ?
Au9 Au10 Au6 104.995(11) . . ?
Au9 Au10 Au20 114.652(12) . . ?
Au9 Au10 Au26 60.154(9) . . ?
Au9 Au10 Au27 115.396(11) . . ?
Au11 Au10 Au5 105.750(11) . . ?
Au11 Au10 Au6 58.722(9) . . ?
Au11 Au10 Au9 109.758(11) . . ?
Au11 Au10 Au20 110.953(11) . . ?
Au11 Au10 Au26 121.000(12) . . ?
Au11 Au10 Au27 64.747(10) . . ?
Au13 Au10 Au5 109.363(11) . . ?
Au13 Au10 Au6 108.587(11) . . ?
Au13 Au10 Au9 61.237(10) . . ?
Au13 Au10 Au11 62.990(10) . . ?
Au13 Au10 Au20 167.916(12) . . ?
Au13 Au10 Au26 62.929(10) . . ?
Au13 Au10 Au27 60.923(9) . . ?
Au26 Au10 Au20 126.315(11) . . ?
Au27 Au10 Au20 127.525(11) . . ?
Au27 Au10 Au26 69.784(10) . . ?
S9 Au10 Au1 154.21(5) . . ?
S9 Au10 Au5 102.46(5) . . ?
S9 Au10 Au6 98.80(5) . . ?
S9 Au10 Au9 130.63(5) . . ?
S9 Au10 Au11 119.58(5) . . ?
S9 Au10 Au13 145.93(5) . . ?
S9 Au10 Au20 45.87(5) . . ?
S9 Au10 Au26 93.96(5) . . ?
S9 Au10 Au27 88.52(5) . . ?
Au1 Au11 Au6 58.410(10) . . ?
Au1 Au11 Au7 58.643(9) . . ?
Au1 Au11 Au10 58.481(10) . . ?
Au1 Au11 Au12 56.374(9) . . ?
Au1 Au11 Au13 57.038(9) . . ?
Au1 Au11 Au21 113.310(12) . . ?
Au1 Au11 Au23 105.36(6) . . ?
Au1 Au11 Au24 113.2(6) . . ?
Au1 Au11 Au27 107.069(11) . . ?
Au6 Au11 Au10 62.489(10) . . ?
Au6 Au11 Au12 107.552(11) . . ?
Au6 Au11 Au13 106.981(12) . . ?
Au6 Au11 Au21 66.271(10) . . ?
Au6 Au11 Au23 116.97(4) . . ?
Au6 Au11 Au24 123.4(7) . . ?
Au6 Au11 Au27 118.319(12) . . ?
Au7 Au11 Au6 61.197(10) . . ?
Au7 Au11 Au10 110.312(12) . . ?
Au7 Au11 Au12 60.451(9) . . ?
Au7 Au11 Au13 106.745(11) . . ?
Au7 Au11 Au21 63.865(9) . . ?
Au7 Au11 Au23 60.01(5) . . ?
Au7 Au11 Au24 68.2(8) . . ?
Au7 Au11 Au27 164.550(12) . . ?
Au10 Au11 Au12 104.003(11) . . ?
Au10 Au11 Au13 57.149(9) . . ?
Au10 Au11 Au21 121.509(12) . . ?
Au10 Au11 Au23 162.44(5) . . ?
Au10 Au11 Au24 167.1(2) . . ?
Au10 Au11 Au27 60.858(9) . . ?
Au12 Au11 Au23 58.73(5) . . ?
Au12 Au11 Au24 63.8(4) . . ?
Au12 Au11 Au27 107.737(11) . . ?
Au13 Au11 Au12 57.009(9) . . ?
Au13 Au11 Au21 170.072(13) . . ?
Au13 Au11 Au23 109.55(3) . . ?
Au13 Au11 Au24 110.4(2) . . ?
Au13 Au11 Au27 57.976(9) . . ?
Au21 Au11 Au12 116.874(12) . . ?
Au21 Au11 Au23 69.34(2) . . ?
Au21 Au11 Au24 70.0(3) . . ?
Au21 Au11 Au27 131.216(12) . . ?
Au24 Au11 Au27 117.2(8) . . ?
Au27 Au11 Au23 124.46(4) . . ?
S15 Au11 Au1 151.34(5) . . ?
S15 Au11 Au6 136.50(5) . . ?
S15 Au11 Au7 146.22(5) . . ?
S15 Au11 Au10 103.16(5) . . ?
S15 Au11 Au12 115.88(5) . . ?
S15 Au11 Au13 94.92(4) . . ?
S15 Au11 Au21 94.91(4) . . ?
S15 Au11 Au23 88.67(7) . . ?
S15 Au11 Au24 80.1(8) . . ?
S15 Au11 Au27 45.97(4) . . ?
Au1 Au12 Au3 57.999(9) . . ?
Au1 Au12 Au7 57.389(9) . . ?
Au1 Au12 Au8 60.293(10) . . ?
Au1 Au12 Au11 57.204(9) . . ?
Au1 Au12 Au13 58.538(9) . . ?
Au1 Au12 Au23 110.18(3) . . ?
Au1 Au12 Au24 108.91(18) . . ?
Au1 Au12 Au25 110.661(12) . . ?
Au1 Au12 Au28 111.967(12) . . ?
Au3 Au12 Au7 59.542(9) . . ?
Au3 Au12 Au11 105.126(11) . . ?
Au3 Au12 Au23 111.37(5) . . ?
Au3 Au12 Au24 118.6(7) . . ?
Au3 Au12 Au25 63.660(9) . . ?
Au3 Au12 Au28 118.160(12) . . ?
Au7 Au12 Au11 56.366(9) . . ?
Au7 Au12 Au23 60.65(2) . . ?
Au7 Au12 Au24 64.5(5) . . ?
Au7 Au12 Au25 116.799(12) . . ?
Au7 Au12 Au28 169.160(12) . . ?
Au8 Au12 Au3 61.448(10) . . ?
Au8 Au12 Au7 109.385(12) . . ?
Au8 Au12 Au11 110.014(11) . . ?
Au8 Au12 Au13 62.443(10) . . ?
Au8 Au12 Au23 169.868(19) . . ?
Au8 Au12 Au24 168.1(3) . . ?
Au8 Au12 Au25 60.945(9) . . ?
Au8 Au12 Au28 62.945(10) . . ?
Au11 Au12 Au23 63.71(5) . . ?
Au11 Au12 Au24 58.1(4) . . ?
Au11 Au12 Au25 167.679(12) . . ?
Au11 Au12 Au28 117.485(12) . . ?
Au13 Au12 Au3 109.281(12) . . ?
Au13 Au12 Au7 106.100(11) . . ?
Au13 Au12 Au11 60.302(9) . . ?
Au13 Au12 Au23 116.81(7) . . ?
Au13 Au12 Au24 108.4(7) . . ?
Au13 Au12 Au25 116.913(12) . . ?
Au13 Au12 Au28 63.935(9) . . ?
Au23 Au12 Au25 123.81(6) . . ?
Au23 Au12 Au28 126.61(3) . . ?
Au24 Au12 Au25 130.6(5) . . ?
Au28 Au12 Au24 121.5(6) . . ?
Au28 Au12 Au25 67.315(10) . . ?
S11 Au12 Au1 153.22(5) . . ?
S11 Au12 Au3 111.42(6) . . ?
S11 Au12 Au7 95.84(5) . . ?
S11 Au12 Au8 140.27(5) . . ?
S11 Au12 Au11 109.47(5) . . ?
S11 Au12 Au13 139.26(6) . . ?
S11 Au12 Au23 47.49(6) . . ?
S11 Au12 Au24 51.6(3) . . ?
S11 Au12 Au25 80.55(5) . . ?
S11 Au12 Au28 94.76(5) . . ?
Au1 Au13 Au8 58.623(9) . . ?
Au1 Au13 Au9 57.874(9) . . ?
Au1 Au13 Au10 59.844(9) . . ?
Au1 Au13 Au11 58.121(9) . . ?
Au1 Au13 Au12 58.775(10) . . ?
Au1 Au13 Au26 110.279(12) . . ?
Au1 Au13 Au27 113.962(12) . . ?
Au1 Au13 Au28 110.141(11) . . ?
Au8 Au13 Au9 58.999(9) . . ?
Au8 Au13 Au11 108.065(11) . . ?
Au8 Au13 Au26 111.341(12) . . ?
Au8 Au13 Au27 172.477(12) . . ?
Au8 Au13 Au28 60.635(9) . . ?
Au9 Au13 Au11 108.138(11) . . ?
Au9 Au13 Au26 60.933(9) . . ?
Au9 Au13 Au27 119.287(12) . . ?
Au9 Au13 Au28 112.139(11) . . ?
Au10 Au13 Au8 110.074(12) . . ?
Au10 Au13 Au9 62.226(9) . . ?
Au10 Au13 Au11 59.861(10) . . ?
Au10 Au13 Au12 110.831(11) . . ?
Au10 Au13 Au26 64.480(9) . . ?
Au10 Au13 Au27 64.424(10) . . ?
Au10 Au13 Au28 169.875(12) . . ?
Au11 Au13 Au26 119.582(11) . . ?
Au11 Au13 Au27 64.972(10) . . ?
Au11 Au13 Au28 117.428(12) . . ?
Au12 Au13 Au8 57.542(10) . . ?
Au12 Au13 Au9 105.882(11) . . ?
Au12 Au13 Au11 62.689(9) . . ?
Au12 Au13 Au26 166.813(13) . . ?
Au12 Au13 Au27 118.536(13) . . ?
Au12 Au13 Au28 61.492(9) . . ?
Au26 Au13 Au28 121.352(11) . . ?
Au27 Au13 Au26 71.573(10) . . ?
Au27 Au13 Au28 124.391(12) . . ?
S18 Au13 Au1 154.30(5) . . ?
S18 Au13 Au8 96.26(5) . . ?
S18 Au13 Au9 116.20(5) . . ?
S18 Au13 Au10 143.24(5) . . ?
S18 Au13 Au11 135.63(5) . . ?
S18 Au13 Au12 104.81(5) . . ?
S18 Au13 Au26 82.51(5) . . ?
S18 Au13 Au27 90.98(5) . . ?
S18 Au13 Au28 46.14(5) . . ?
Au2 Au14 Au4 54.12(3) . . ?
Au3 Au14 Au2 56.49(6) . . ?
Au3 Au14 Au4 56.38(3) . . ?
S2 Au14 Au2 84.03(12) . . ?
S2 Au14 Au3 97.69(13) . . ?
S2 Au14 Au4 137.70(14) . . ?
S2 Au14 S7 170.69(14) . . ?
S7 Au14 Au2 98.99(6) . . ?
S7 Au14 Au3 91.29(6) . . ?
S7 Au14 Au4 47.18(5) . . ?
Au2 Au15 Au4 51.9(3) . . ?
Au3 Au15 Au2 52.1(4) . . ?
Au3 Au15 Au4 54.3(3) . . ?
S2 Au15 Au2 75.7(7) . . ?
S2 Au15 Au3 87.9(9) . . ?
S2 Au15 Au4 126.7(10) . . ?
S7 Au15 Au2 96.9(4) . . ?
S7 Au15 Au3 89.8(4) . . ?
S7 Au15 Au4 46.7(2) . . ?
S7 Au15 S2 172.1(8) . . ?
Au5 Au16 Au2 55.607(9) . . ?
Au6 Au16 Au2 56.819(9) . . ?
Au6 Au16 Au5 54.359(9) . . ?
S1 Au16 Au2 49.04(4) . . ?
S1 Au16 Au5 102.66(5) . . ?
S1 Au16 Au6 93.81(5) . . ?
S3 Au16 Au2 139.63(5) . . ?
S3 Au16 Au5 84.92(5) . . ?
S3 Au16 Au6 95.09(5) . . ?
S3 Au16 S1 170.65(7) . . ?
Au3 Au17 Au2 51.56(8) . . ?
Au7 Au17 Au2 56.19(9) . . ?
Au7 Au17 Au3 55.11(9) . . ?
S2 Au17 Au2 77.77(17) . . ?
S2 Au17 Au3 89.66(18) . . ?
S2 Au17 Au7 132.8(2) . . ?
S5 Au17 Au2 103.71(19) . . ?
S5 Au17 Au3 98.81(19) . . ?
S5 Au17 Au7 51.47(12) . . ?
S5 Au17 S2 170.2(3) . . ?
Au2 Au18 Au3 52.29(8) . . ?
Au7 Au18 Au2 56.39(7) . . ?
Au7 Au18 Au3 55.05(7) . . ?
S2 Au18 Au2 80.3(2) . . ?
S2 Au18 Au3 92.3(2) . . ?
S2 Au18 Au7 135.6(2) . . ?
S2 Au18 S5 169.7(2) . . ?
S5 Au18 Au2 102.85(15) . . ?
S5 Au18 Au3 97.42(16) . . ?
S5 Au18 Au7 50.33(11) . . ?
Au5 Au19 Au4 55.979(9) . . ?
Au9 Au19 Au4 53.977(9) . . ?
Au9 Au19 Au5 57.406(9) . . ?
S8 Au19 Au4 104.11(4) . . ?
S8 Au19 Au5 49.91(4) . . ?
S8 Au19 Au9 94.80(5) . . ?
S13 Au19 Au4 80.82(5) . . ?
S13 Au19 Au5 136.01(5) . . ?
S13 Au19 Au9 92.15(5) . . ?
S13 Au19 S8 172.98(7) . . ?
Au5 Au20 Au6 53.262(8) . . ?
Au5 Au20 Au10 55.037(9) . . ?
Au6 Au20 Au10 56.286(8) . . ?
S3 Au20 Au5 84.59(4) . . ?
S3 Au20 Au6 92.03(5) . . ?
S3 Au20 Au10 138.01(5) . . ?
S3 Au20 S9 171.11(7) . . ?
S9 Au20 Au5 98.34(5) . . ?
S9 Au20 Au6 96.45(5) . . ?
S9 Au20 Au10 47.52(4) . . ?
Au7 Au21 Au6 54.572(8) . . ?
Au11 Au21 Au6 54.626(9) . . ?
Au11 Au21 Au7 54.976(9) . . ?
S4 Au21 Au6 47.19(4) . . ?
S4 Au21 Au7 92.73(5) . . ?
S4 Au21 Au11 98.13(5) . . ?
S4 Au21 S10 175.25(7) . . ?
S10 Au21 Au6 136.99(5) . . ?
S10 Au21 Au7 91.99(5) . . ?
S10 Au21 Au11 85.00(5) . . ?
Au4 Au22 Au8 57.496(9) . . ?
Au9 Au22 Au4 54.361(8) . . ?
Au9 Au22 Au8 55.422(8) . . ?
S12 Au22 Au4 103.05(4) . . ?
S12 Au22 Au8 48.94(4) . . ?
S12 Au22 Au9 95.11(4) . . ?
S13 Au22 Au4 82.16(4) . . ?
S13 Au22 Au8 137.52(5) . . ?
S13 Au22 Au9 91.74(5) . . ?
S13 Au22 S12 172.99(6) . . ?
Au7 Au23 Au11 53.584(18) . . ?
Au7 Au23 Au12 57.80(3) . . ?
Au12 Au23 Au11 57.557(19) . . ?
S10 Au23 Au7 93.64(6) . . ?
S10 Au23 Au11 80.67(9) . . ?
S10 Au23 Au12 137.73(9) . . ?
S11 Au23 Au7 95.36(10) . . ?
S11 Au23 Au11 105.85(6) . . ?
S11 Au23 Au12 49.95(6) . . ?
S11 Au23 S10 170.89(10) . . ?
Au11 Au24 Au7 52.9(3) . . ?
Au11 Au24 Au12 58.1(2) . . ?
Au12 Au24 Au7 54.1(4) . . ?
S10 Au24 Au7 90.7(8) . . ?
S10 Au24 Au11 88.4(5) . . ?
S10 Au24 Au12 140.9(6) . . ?
S10 Au24 S11 159.1(19) . . ?
S11 Au24 Au7 84.8(9) . . ?
S11 Au24 Au11 104.9(4) . . ?
S11 Au24 Au12 47.0(2) . . ?
Au8 Au25 Au3 54.709(8) . . ?
Au8 Au25 Au12 52.322(8) . . ?
Au12 Au25 Au3 53.327(8) . . ?
S6 Au25 Au3 46.67(4) . . ?
S6 Au25 Au8 92.90(4) . . ?
S6 Au25 Au12 96.87(4) . . ?
S16 Au25 Au3 136.31(5) . . ?
S16 Au25 Au8 93.85(5) . . ?
S16 Au25 Au12 84.00(5) . . ?
S16 Au25 S6 172.06(7) . . ?
Au9 Au26 Au10 56.526(8) . . ?
Au9 Au26 Au13 56.388(9) . . ?
Au13 Au26 Au10 52.591(8) . . ?
S14 Au26 Au9 50.16(4) . . ?
S14 Au26 Au10 99.19(4) . . ?
S14 Au26 Au13 102.28(4) . . ?
S17 Au26 Au9 137.98(5) . . ?
S17 Au26 Au10 89.26(5) . . ?
S17 Au26 Au13 84.24(5) . . ?
S17 Au26 S14 171.36(6) . . ?
Au10 Au27 Au11 54.395(9) . . ?
Au13 Au27 Au10 54.654(9) . . ?
Au13 Au27 Au11 57.052(9) . . ?
S15 Au27 Au10 99.24(5) . . ?
S15 Au27 Au11 48.34(5) . . ?
S15 Au27 Au13 96.07(5) . . ?
S17 Au27 Au10 91.19(5) . . ?
S17 Au27 Au11 139.84(5) . . ?
S17 Au27 Au13 87.35(5) . . ?
S17 Au27 S15 169.10(7) . . ?
Au8 Au28 Au12 53.785(9) . . ?
Au8 Au28 Au13 56.053(9) . . ?
Au12 Au28 Au13 54.573(9) . . ?
S16 Au28 Au8 93.98(5) . . ?
S16 Au28 Au12 87.63(5) . . ?
S16 Au28 Au13 140.44(5) . . ?
S16 Au28 S18 170.61(7) . . ?
S18 Au28 Au8 94.47(5) . . ?
S18 Au28 Au12 100.69(5) . . ?
S18 Au28 Au13 48.80(4) . . ?
Au16 S1 Au2 84.38(6) . . ?
C1 S1 Au2 117.6(3) . . ?
C1 S1 Au16 103.0(3) . . ?
Au17 S2 Au15 107.7(5) . . ?
Au18 S2 Au14 101.05(16) . . ?
C7 S2 Au14 108.8(3) . . ?
C7 S2 Au15 105.0(4) . . ?
C7 S2 Au17 110.0(3) . . ?
C7 S2 Au18 110.7(3) . . ?
Au16 S3 Au20 100.37(7) . . ?
C13 S3 Au16 106.6(3) . . ?
C13 S3 Au20 108.5(3) . . ?
Au21 S4 Au6 87.48(6) . . ?
C19 S4 Au6 106.9(2) . . ?
C19 S4 Au21 105.8(3) . . ?
Au17 S5 Au7 81.62(15) . . ?
Au18 S5 Au7 80.93(12) . . ?
C25 S5 Au7 108.8(2) . . ?
C25 S5 Au17 102.7(3) . . ?
C25 S5 Au18 102.5(3) . . ?
Au25 S6 Au3 88.44(6) . . ?
C31 S6 Au3 108.7(3) . . ?
C31 S6 Au25 101.5(2) . . ?
Au14 S7 Au4 87.38(9) . . ?
Au15 S7 Au4 93.6(6) . . ?
C37 S7 Au4 115.6(3) . . ?
C37 S7 Au14 104.6(3) . . ?
C37 S7 Au15 100.7(6) . . ?
Au19 S8 Au5 82.55(6) . . ?
C43 S8 Au5 112.2(2) . . ?
C43 S8 Au19 105.3(2) . . ?
Au20 S9 Au10 86.61(6) . . ?
C49 S9 Au10 109.4(3) . . ?
C49 S9 Au20 101.7(3) . . ?
Au23 S10 Au21 101.61(8) . . ?
Au24 S10 Au21 104.5(4) . . ?
C55 S10 Au21 109.9(3) . . ?
C55 S10 Au23 108.8(3) . . ?
C55 S10 Au24 117.7(9) . . ?
Au12 S11 Au24 81.4(3) . . ?
Au23 S11 Au12 82.56(7) . . ?
C61 S11 Au12 115.9(4) . . ?
C61 S11 Au23 104.8(4) . . ?
C61 S11 Au24 96.0(9) . . ?
Au22 S12 Au8 84.41(6) . . ?
C72 S12 Au8 107.6(2) . . ?
C72 S12 Au22 105.4(3) . . ?
Au22 S13 Au19 102.64(7) . . ?
C78 S13 Au19 107.9(2) . . ?
C78 S13 Au22 105.5(3) . . ?
Au26 S14 Au9 82.30(6) . . ?
C84 S14 Au9 108.9(2) . . ?
C84 S14 Au26 104.7(3) . . ?
Au27 S15 Au11 85.70(6) . . ?
C90 S15 Au11 118.7(3) . . ?
C90 S15 Au27 105.2(3) . . ?
Au28 S16 Au25 100.21(7) . . ?
C96 S16 Au25 111.0(3) . . ?
C96 S16 Au28 107.3(3) . . ?
Au26 S17 Au27 103.34(7) . . ?
C102 S17 Au26 105.9(3) . . ?
C102 S17 Au27 111.2(2) . . ?
Au28 S18 Au13 85.05(6) . . ?
C112 S18 Au13 110.2(4) . . ?
C112 S18 Au28 106.4(4) . . ?
C118 S18 Au13 125.5(12) . . ?
C118 S18 Au28 97.7(12) . . ?
C2 C1 S1 118.7(7) . . ?
C6 C1 S1 124.0(6) . . ?
C6 C1 C2 117.3(8) . . ?
C1 C2 H2 118.9 . . ?
C3 C2 C1 122.2(10) . . ?
C3 C2 H2 118.9 . . ?
C2 C3 H3 120.1 . . ?
C2 C3 C4 119.8(9) . . ?
C4 C3 H3 120.1 . . ?
C3 C4 H4 120.5 . . ?
C5 C4 C3 119.1(9) . . ?
C5 C4 H4 120.5 . . ?
C4 C5 H5 119.8 . . ?
C4 C5 C6 120.4(9) . . ?
C6 C5 H5 119.8 . . ?
C1 C6 C5 121.2(8) . . ?
C1 C6 H6 119.4 . . ?
C5 C6 H6 119.4 . . ?
C8 C7 S2 116.1(6) . . ?
C8 C7 C12 119.5(8) . . ?
C12 C7 S2 124.4(6) . . ?
C7 C8 H8 119.7 . . ?
C7 C8 C9 120.6(9) . . ?
C9 C8 H8 119.7 . . ?
C8 C9 H9 120.3 . . ?
C10 C9 C8 119.4(9) . . ?
C10 C9 H9 120.3 . . ?
C9 C10 H10 120.1 . . ?
C11 C10 C9 119.8(9) . . ?
C11 C10 H10 120.1 . . ?
C10 C11 H11 119.5 . . ?
C10 C11 C12 121.1(9) . . ?
C12 C11 H11 119.5 . . ?
C7 C12 C11 119.5(8) . . ?
C7 C12 H12 120.3 . . ?
C11 C12 H12 120.3 . . ?
C14 C13 S3 122.8(6) . . ?
C14 C13 C18 119.3(7) . . ?
C18 C13 S3 117.8(6) . . ?
C13 C14 H14 119.7 . . ?
C13 C14 C15 120.6(8) . . ?
C15 C14 H14 119.7 . . ?
C14 C15 H15 120.5 . . ?
C14 C15 C16 119.0(8) . . ?
C16 C15 H15 120.5 . . ?
C15 C16 H16 119.8 . . ?
C17 C16 C15 120.5(8) . . ?
C17 C16 H16 119.8 . . ?
C16 C17 H17 119.8 . . ?
C16 C17 C18 120.5(8) . . ?
C18 C17 H17 119.8 . . ?
C13 C18 H18 119.9 . . ?
C17 C18 C13 120.1(8) . . ?
C17 C18 H18 119.9 . . ?
C20 C19 S4 116.6(6) . . ?
C24 C19 S4 123.6(6) . . ?
C24 C19 C20 119.8(7) . . ?
C19 C20 H20 119.4 . . ?
C19 C20 C21 121.2(8) . . ?
C21 C20 H20 119.4 . . ?
C20 C21 H21 120.4 . . ?
C22 C21 C20 119.2(8) . . ?
C22 C21 H21 120.4 . . ?
C21 C22 H22 119.8 . . ?
C21 C22 C23 120.4(8) . . ?
C23 C22 H22 119.8 . . ?
C22 C23 H23 119.9 . . ?
C24 C23 C22 120.1(8) . . ?
C24 C23 H23 119.9 . . ?
C19 C24 C23 119.3(8) . . ?
C19 C24 H24 120.3 . . ?
C23 C24 H24 120.3 . . ?
C26 C25 S5 117.7(7) . . ?
C26 C25 C30 119.1(7) . . ?
C30 C25 S5 123.2(6) . . ?
C25 C26 H26 120.0 . . ?
C25 C26 C27 120.1(9) . . ?
C27 C26 H26 120.0 . . ?
C26 C27 H27 119.8 . . ?
C28 C27 C26 120.4(8) . . ?
C28 C27 H27 119.8 . . ?
C27 C28 H28 120.3 . . ?
C29 C28 C27 119.5(8) . . ?
C29 C28 H28 120.3 . . ?
C28 C29 H29 119.4 . . ?
C28 C29 C30 121.1(9) . . ?
C30 C29 H29 119.4 . . ?
C25 C30 H30 120.1 . . ?
C29 C30 C25 119.8(8) . . ?
C29 C30 H30 120.1 . . ?
C32 C31 S6 122.7(6) . . ?
C32 C31 C36 119.8(8) . . ?
C36 C31 S6 117.6(7) . . ?
C31 C32 H32 120.0 . . ?
C33 C32 C31 120.1(8) . . ?
C33 C32 H32 120.0 . . ?
C32 C33 H33 120.0 . . ?
C32 C33 C34 120.1(9) . . ?
C34 C33 H33 120.0 . . ?
C33 C34 H34 120.5 . . ?
C35 C34 C33 119.0(9) . . ?
C35 C34 H34 120.5 . . ?
C34 C35 H35 119.1 . . ?
C34 C35 C36 121.7(9) . . ?
C36 C35 H35 119.1 . . ?
C31 C36 H36 120.3 . . ?
C35 C36 C31 119.4(9) . . ?
C35 C36 H36 120.3 . . ?
C38 C37 S7 122.8(7) . . ?
C38 C37 C42 120.3(8) . . ?
C42 C37 S7 116.8(7) . . ?
C37 C38 H38 120.7 . . ?
C37 C38 C39 118.6(9) . . ?
C39 C38 H38 120.7 . . ?
C38 C39 H39 118.6 . . ?
C38 C39 C40 122.7(10) . . ?
C40 C39 H39 118.6 . . ?
C39 C40 H40 121.2 . . ?
C41 C40 C39 117.6(10) . . ?
C41 C40 H40 121.2 . . ?
C40 C41 H41 119.5 . . ?
C40 C41 C42 121.0(10) . . ?
C42 C41 H41 119.5 . . ?
C37 C42 H42 120.2 . . ?
C41 C42 C37 119.6(10) . . ?
C41 C42 H42 120.2 . . ?
C44 C43 S8 117.1(6) . . ?
C44 C43 C48 120.1(7) . . ?
C48 C43 S8 122.7(6) . . ?
C43 C44 H44 119.9 . . ?
C43 C44 C45 120.2(8) . . ?
C45 C44 H44 119.9 . . ?
C44 C45 H45 120.0 . . ?
C46 C45 C44 120.0(8) . . ?
C46 C45 H45 120.0 . . ?
C45 C46 H46 120.0 . . ?
C45 C46 C47 120.0(8) . . ?
C47 C46 H46 120.0 . . ?
C46 C47 H47 120.0 . . ?
C48 C47 C46 120.1(8) . . ?
C48 C47 H47 120.0 . . ?
C43 C48 C47 119.5(7) . . ?
C43 C48 H48 120.2 . . ?
C47 C48 H48 120.2 . . ?
C50 C49 S9 123.2(6) . . ?
C54 C49 S9 118.5(7) . . ?
C54 C49 C50 118.1(8) . . ?
C49 C50 H50 120.0 . . ?
C51 C50 C49 120.1(8) . . ?
C51 C50 H50 120.0 . . ?
C50 C51 H51 120.2 . . ?
C50 C51 C52 119.5(9) . . ?
C52 C51 H51 120.2 . . ?
C51 C52 H52 119.5 . . ?
C53 C52 C51 121.1(8) . . ?
C53 C52 H52 119.5 . . ?
C52 C53 H53 119.9 . . ?
C52 C53 C54 120.2(9) . . ?
C54 C53 H53 119.9 . . ?
C49 C54 H54 119.5 . . ?
C53 C54 C49 120.9(9) . . ?
C53 C54 H54 119.5 . . ?
C56 C55 S10 122.7(6) . . ?
C60 C55 S10 117.5(8) . . ?
C60 C55 C56 119.7(8) . . ?
C55 C56 H56 120.0 . . ?
C57 C56 C55 120.0(10) . . ?
C57 C56 H56 120.0 . . ?
C56 C57 H57 120.1 . . ?
C56 C57 C58 119.7(11) . . ?
C58 C57 H57 120.1 . . ?
C57 C58 H58 120.0 . . ?
C59 C58 C57 120.1(10) . . ?
C59 C58 H58 120.0 . . ?
C58 C59 H59 119.8 . . ?
C58 C59 C60 120.4(11) . . ?
C60 C59 H59 119.8 . . ?
C55 C60 C59 120.0(11) . . ?
C55 C60 H60 120.0 . . ?
C59 C60 H60 120.0 . . ?
C62 C61 S11 110.3(12) . . ?
C66 C61 S11 127.4(10) . . ?
C66 C61 C62 120.6(13) . . ?
C67 C61 S11 131.2(19) . . ?
C67 C61 C71 112(2) . . ?
C71 C61 S11 112.2(13) . . ?
C61 C62 H62 122.0 . . ?
C63 C62 C61 116.0(19) . . ?
C63 C62 H62 122.0 . . ?
C62 C63 H63 120.1 . . ?
C62 C63 C64 119.8(17) . . ?
C64 C63 H63 120.1 . . ?
C63 C64 H64 120.0 . . ?
C65 C64 C63 120.0(16) . . ?
C65 C64 H64 120.0 . . ?
C64 C65 H65 118.9 . . ?
C64 C65 C66 122.3(18) . . ?
C66 C65 H65 118.9 . . ?
C61 C66 C65 120.1(15) . . ?
C61 C66 H66 119.9 . . ?
C65 C66 H66 119.9 . . ?
C61 C67 H67 117.9 . . ?
C61 C67 C68 124(4) . . ?
C68 C67 H67 117.9 . . ?
C67 C68 H68 121.9 . . ?
C69 C68 C67 116(4) . . ?
C69 C68 H68 121.9 . . ?
C68 C69 H69 118.7 . . ?
C70 C69 C68 123(5) . . ?
C70 C69 H69 118.7 . . ?
C69 C70 H70 120.1 . . ?
C69 C70 C71 120(4) . . ?
C71 C70 H70 120.1 . . ?
C61 C71 H71 122.4 . . ?
C70 C71 C61 115(3) . . ?
C70 C71 H71 122.4 . . ?
C73 C72 S12 118.5(6) . . ?
C73 C72 C77 119.2(7) . . ?
C77 C72 S12 122.2(6) . . ?
C72 C73 H73 119.3 . . ?
C72 C73 C74 121.4(7) . . ?
C74 C73 H73 119.3 . . ?
C73 C74 H74 120.0 . . ?
C75 C74 C73 120.0(7) . . ?
C75 C74 H74 120.0 . . ?
C74 C75 H75 120.5 . . ?
C74 C75 C76 119.0(7) . . ?
C76 C75 H75 120.5 . . ?
C75 C76 H76 119.5 . . ?
C77 C76 C75 120.9(8) . . ?
C77 C76 H76 119.5 . . ?
C72 C77 H77 120.3 . . ?
C76 C77 C72 119.4(7) . . ?
C76 C77 H77 120.3 . . ?
C79 C78 S13 117.2(6) . . ?
C83 C78 S13 122.9(6) . . ?
C83 C78 C79 119.9(7) . . ?
C78 C79 H79 120.5 . . ?
C80 C79 C78 119.0(8) . . ?
C80 C79 H79 120.5 . . ?
C79 C80 H80 119.7 . . ?
C81 C80 C79 120.6(8) . . ?
C81 C80 H80 119.7 . . ?
C80 C81 H81 119.8 . . ?
C80 C81 C82 120.3(8) . . ?
C82 C81 H81 119.8 . . ?
C81 C82 H82 119.9 . . ?
C81 C82 C83 120.3(8) . . ?
C83 C82 H82 119.9 . . ?
C78 C83 H83 120.1 . . ?
C82 C83 C78 119.8(8) . . ?
C82 C83 H83 120.1 . . ?
C85 C84 S14 116.4(6) . . ?
C89 C84 S14 124.5(6) . . ?
C89 C84 C85 119.1(7) . . ?
C84 C85 H85 120.0 . . ?
C86 C85 C84 120.0(8) . . ?
C86 C85 H85 120.0 . . ?
C85 C86 H86 120.1 . . ?
C87 C86 C85 119.7(8) . . ?
C87 C86 H86 120.1 . . ?
C86 C87 H87 119.7 . . ?
C88 C87 C86 120.5(7) . . ?
C88 C87 H87 119.7 . . ?
C87 C88 H88 120.4 . . ?
C87 C88 C89 119.2(8) . . ?
C89 C88 H88 120.4 . . ?
C84 C89 C88 121.5(8) . . ?
C84 C89 H89 119.3 . . ?
C88 C89 H89 119.3 . . ?
C91 C90 S15 122.3(6) . . ?
C91 C90 C95 119.4(8) . . ?
C95 C90 S15 117.9(7) . . ?
C90 C91 H91 119.8 . . ?
C90 C91 C92 120.5(9) . . ?
C92 C91 H91 119.8 . . ?
C91 C92 H92 120.0 . . ?
C91 C92 C93 120.0(10) . . ?
C93 C92 H92 120.0 . . ?
C92 C93 H93 120.2 . . ?
C94 C93 C92 119.6(9) . . ?
C94 C93 H93 120.2 . . ?
C93 C94 H94 119.6 . . ?
C93 C94 C95 120.8(10) . . ?
C95 C94 H94 119.6 . . ?
C90 C95 H95 120.2 . . ?
C94 C95 C90 119.7(9) . . ?
C94 C95 H95 120.2 . . ?
C97 C96 S16 119.4(6) . . ?
C101 C96 S16 121.2(6) . . ?
C101 C96 C97 119.1(7) . . ?
C96 C97 H97 120.1 . . ?
C98 C97 C96 119.8(8) . . ?
C98 C97 H97 120.1 . . ?
C97 C98 H98 119.4 . . ?
C99 C98 C97 121.2(8) . . ?
C99 C98 H98 119.4 . . ?
C98 C99 H99 119.9 . . ?
C98 C99 C100 120.2(8) . . ?
C100 C99 H99 119.9 . . ?
C99 C100 H100 120.6 . . ?
C99 C100 C101 118.7(8) . . ?
C101 C100 H100 120.6 . . ?
C96 C101 C100 120.9(8) . . ?
C96 C101 H101 119.5 . . ?
C100 C101 H101 119.5 . . ?
C103 C102 S17 124.5(8) . . ?
C103 C102 C107 120.5(10) . . ?
C107 C102 S17 114.4(7) . . ?
C108 C102 S17 121(2) . . ?
C111 C102 S17 122.4(18) . . ?
C111 C102 C108 117(3) . . ?
C102 C103 H103 120.1 . . ?
C102 C103 C104 119.8(14) . . ?
C104 C103 H103 120.1 . . ?
C103 C104 H104 119.4 . . ?
C105 C104 C103 121.3(14) . . ?
C105 C104 H104 119.4 . . ?
C104 C105 H105 120.4 . . ?
C104 C105 C106 119.1(11) . . ?
C106 C105 H105 120.4 . . ?
C109 C105 H10A 118.8 . . ?
C110 C105 H10A 118.8 . . ?
C110 C105 C109 122(3) . . ?
C105 C106 H106 119.5 . . ?
C105 C106 C107 121.1(11) . . ?
C107 C106 H106 119.5 . . ?
C102 C107 C106 117.8(11) . . ?
C102 C107 H107 121.1 . . ?
C106 C107 H107 121.1 . . ?
C102 C108 H108 120.5 . . ?
C102 C108 C109 119(4) . . ?
C109 C108 H108 120.5 . . ?
C105 C109 C108 121(4) . . ?
C105 C109 H109 119.7 . . ?
C108 C109 H109 119.7 . . ?
C105 C110 H110 122.4 . . ?
C105 C110 C111 115(3) . . ?
C111 C110 H110 122.4 . . ?
C102 C111 C110 125(3) . . ?
C102 C111 H111 117.6 . . ?
C110 C111 H111 117.6 . . ?
C113 C112 S18 120.5(9) . . ?
C113 C112 C117 119.4(13) . . ?
C117 C112 S18 119.9(11) . . ?
C112 C113 H113 119.8 . . ?
C112 C113 C114 120.4(15) . . ?
C114 C113 H113 119.8 . . ?
C113 C114 H114 120.8 . . ?
C115 C114 C113 118.5(19) . . ?
C115 C114 H114 120.8 . . ?
C114 C115 H115 118.9 . . ?
C116 C115 C114 122.2(18) . . ?
C116 C115 H115 118.9 . . ?
C115 C116 H116 120.3 . . ?
C115 C116 C117 119.4(18) . . ?
C117 C116 H116 120.3 . . ?
C112 C117 C116 120.1(17) . . ?
C112 C117 H117 120.0 . . ?
C116 C117 H117 120.0 . . ?
C119 C118 S18 115(3) . . ?
C123 C118 S18 121(3) . . ?
C123 C118 C119 125(4) . . ?
C118 C119 H119 123.0 . . ?
C118 C119 C120 114(4) . . ?
C120 C119 H119 123.0 . . ?
C119 C120 H120 120.0 . . ?
C121 C120 C119 120(6) . . ?
C121 C120 H120 120.0 . . ?
C120 C121 H121 119.9 . . ?
C122 C121 C120 120(4) . . ?
C122 C121 H121 119.9 . . ?
C121 C122 H122 118.3 . . ?
C121 C122 C123 123(3) . . ?
C123 C122 H122 118.3 . . ?
C118 C123 C122 117(3) . . ?
C118 C123 H123 121.5 . . ?
C122 C123 H123 121.5 . . ?
C125 C124 C129 120.0 . . ?
C125 C124 C130 117.2(10) . . ?
C129 C124 C130 122.7(9) . . ?
C124 C125 H125 120.0 . . ?
C124 C125 C126 120.0 . . ?
C126 C125 H125 120.0 . . ?
C125 C126 H126 120.0 . . ?
C125 C126 C127 120.0 . . ?
C127 C126 H126 120.0 . . ?
C126 C127 H127 120.0 . . ?
C128 C127 C126 120.0 . . ?
C128 C127 H127 120.0 . . ?
C127 C128 H128 120.0 . . ?
C127 C128 C129 120.0 . . ?
C129 C128 H128 120.0 . . ?
C124 C129 H129 120.0 . . ?
C128 C129 C124 120.0 . . ?
C128 C129 H129 120.0 . . ?
C124 C130 H13O 109.5 . . ?
C124 C130 H13P 109.5 . . ?
C124 C130 H13Q 109.5 . . ?
H13O C130 H13P 109.5 . . ?
H13O C130 H13Q 109.5 . . ?
H13P C130 H13Q 109.5 . . ?
C131 O1 H1 109.5 . . ?
O1 C131 H13R 109.1 . . ?
O1 C131 H13S 109.1 . . ?
O1 C131 C132 112.7(10) . . ?
H13R C131 H13S 107.8 . . ?
C132 C131 H13R 109.1 . . ?
C132 C131 H13S 109.1 . . ?
C131 C132 H13T 109.5 . . ?
C131 C132 H13U 109.5 . . ?
C131 C132 H13V 109.5 . . ?
H13T C132 H13U 109.5 . . ?
H13T C132 H13V 109.5 . . ?
H13U C132 H13V 109.5 . . ?
C141 N1 C133 111.3(9) . . ?
C141 N1 C149 110.9(9) . . ?
C141 N1 C157 107.3(9) . . ?
C149 N1 C133 104.6(8) . . ?
C149 N1 C157 110.7(8) . . ?
C157 N1 C133 112.1(9) . . ?
N1 C133 H13A 108.6 . . ?
N1 C133 H13B 108.6 . . ?
H13A C133 H13B 107.6 . . ?
C134 C133 N1 114.6(9) . . ?
C134 C133 H13A 108.6 . . ?
C134 C133 H13B 108.6 . . ?
C133 C134 H13C 109.9 . . ?
C133 C134 H13D 109.9 . . ?
C133 C134 C135 108.9(11) . . ?
H13C C134 H13D 108.3 . . ?
C135 C134 H13C 109.9 . . ?
C135 C134 H13D 109.9 . . ?
C134 C135 H13E 109.1 . . ?
C134 C135 H13F 109.1 . . ?
C134 C135 C136 112.5(11) . . ?
H13E C135 H13F 107.8 . . ?
C136 C135 H13E 109.1 . . ?
C136 C135 H13F 109.1 . . ?
C135 C136 H13G 108.4 . . ?
C135 C136 H13H 108.4 . . ?
H13G C136 H13H 107.5 . . ?
C137 C136 C135 115.3(10) . . ?
C137 C136 H13G 108.4 . . ?
C137 C136 H13H 108.4 . . ?
C136 C137 H13I 108.3 . . ?
C136 C137 H13J 108.3 . . ?
C136 C137 C138 115.9(10) . . ?
H13I C137 H13J 107.4 . . ?
C138 C137 H13I 108.3 . . ?
C138 C137 H13J 108.3 . . ?
C137 C138 H13K 107.7 . . ?
C137 C138 H13L 107.7 . . ?
H13K C138 H13L 107.1 . . ?
C139 C138 C137 118.4(12) . . ?
C139 C138 H13K 107.7 . . ?
C139 C138 H13L 107.7 . . ?
C138 C139 H13M 109.3 . . ?
C138 C139 H13N 109.3 . . ?
C138 C139 C140 111.6(12) . . ?
H13M C139 H13N 108.0 . . ?
C140 C139 H13M 109.3 . . ?
C140 C139 H13N 109.3 . . ?
C139 C140 H14A 109.5 . . ?
C139 C140 H14B 109.5 . . ?
C139 C140 H14C 109.5 . . ?
H14A C140 H14B 109.5 . . ?
H14A C140 H14C 109.5 . . ?
H14B C140 H14C 109.5 . . ?
N1 C141 H14D 108.1 . . ?
N1 C141 H14E 108.1 . . ?
N1 C141 C142 117.0(10) . . ?
H14D C141 H14E 107.3 . . ?
C142 C141 H14D 108.1 . . ?
C142 C141 H14E 108.1 . . ?
C141 C142 H14F 109.3 . . ?
C141 C142 H14G 109.3 . . ?
H14F C142 H14G 108.0 . . ?
C143 C142 C141 111.5(11) . . ?
C143 C142 H14F 109.3 . . ?
C143 C142 H14G 109.3 . . ?
C142 C143 H14H 107.5 . . ?
C142 C143 H14I 107.5 . . ?
H14H C143 H14I 107.0 . . ?
C144 C143 C142 119.5(13) . . ?
C144 C143 H14H 107.5 . . ?
C144 C143 H14I 107.5 . . ?
C143 C144 H14J 108.5 . . ?
C143 C144 H14K 108.5 . . ?
H14J C144 H14K 107.5 . . ?
C145 C144 C143 115.2(12) . . ?
C145 C144 H14J 108.5 . . ?
C145 C144 H14K 108.5 . . ?
C144 C145 H14L 108.4 . . ?
C144 C145 H14M 108.4 . . ?
C144 C145 C146 115.5(11) . . ?
H14L C145 H14M 107.5 . . ?
C146 C145 H14L 108.4 . . ?
C146 C145 H14M 108.4 . . ?
C145 C146 H14N 108.2 . . ?
C145 C146 H14O 108.2 . . ?
H14N C146 H14O 107.3 . . ?
C147 C146 C145 116.4(11) . . ?
C147 C146 H14N 108.2 . . ?
C147 C146 H14O 108.2 . . ?
C146 C147 H14P 108.2 . . ?
C146 C147 H14Q 108.2 . . ?
C146 C147 C148 116.5(11) . . ?
H14P C147 H14Q 107.3 . . ?
C148 C147 H14P 108.2 . . ?
C148 C147 H14Q 108.2 . . ?
C147 C148 H14R 109.5 . . ?
C147 C148 H14S 109.5 . . ?
C147 C148 H14T 109.5 . . ?
H14R C148 H14S 109.5 . . ?
H14R C148 H14T 109.5 . . ?
H14S C148 H14T 109.5 . . ?
N1 C149 H14U 108.1 . . ?
N1 C149 H14V 108.1 . . ?
H14U C149 H14V 107.3 . . ?
C150 C149 N1 116.8(10) . . ?
C150 C149 H14U 108.1 . . ?
C150 C149 H14V 108.1 . . ?
C149 C150 H15A 110.9 . . ?
C149 C150 H15B 110.9 . . ?
C149 C150 C151 104.2(11) . . ?
H15A C150 H15B 108.9 . . ?
C151 C150 H15A 110.9 . . ?
C151 C150 H15B 110.9 . . ?
C150 C151 H15C 108.8 . . ?
C150 C151 H15D 108.8 . . ?
H15C C151 H15D 107.7 . . ?
C152 C151 C150 113.7(12) . . ?
C152 C151 H15C 108.8 . . ?
C152 C151 H15D 108.8 . . ?
C151 C152 H15E 108.7 . . ?
C151 C152 H15F 108.7 . . ?
C151 C152 C153 114.4(13) . . ?
H15E C152 H15F 107.6 . . ?
C153 C152 H15E 108.7 . . ?
C153 C152 H15F 108.7 . . ?
C152 C153 H15G 107.9 . . ?
C152 C153 H15H 107.9 . . ?
H15G C153 H15H 107.2 . . ?
C154 C153 C152 117.7(13) . . ?
C154 C153 H15G 107.9 . . ?
C154 C153 H15H 107.9 . . ?
C153 C154 H15I 105.1 . . ?
C153 C154 H15J 105.1 . . ?
H15I C154 H15J 105.9 . . ?
C155 C154 C153 128.6(16) . . ?
C155 C154 H15I 105.1 . . ?
C155 C154 H15J 105.1 . . ?
C154 C155 H15K 107.0 . . ?
C154 C155 H15L 107.0 . . ?
C154 C155 C156 121.5(19) . . ?
H15K C155 H15L 106.7 . . ?
C156 C155 H15K 107.0 . . ?
C156 C155 H15L 107.0 . . ?
C155 C156 H15M 109.5 . . ?
C155 C156 H15N 109.5 . . ?
C155 C156 H15O 109.5 . . ?
H15M C156 H15N 109.5 . . ?
H15M C156 H15O 109.5 . . ?
H15N C156 H15O 109.5 . . ?
N1 C157 H15P 107.5 . . ?
N1 C157 H15Q 107.5 . . ?
H15P C157 H15Q 107.0 . . ?
C158 C157 N1 119.2(10) . . ?
C158 C157 H15P 107.5 . . ?
C158 C157 H15Q 107.5 . . ?
C157 C158 H15R 109.2 . . ?
C157 C158 H15S 109.2 . . ?
C157 C158 C159 112.1(12) . . ?
H15R C158 H15S 107.9 . . ?
C159 C158 H15R 109.2 . . ?
C159 C158 H15S 109.2 . . ?
C158 C159 H15T 109.2 . . ?
C158 C159 H15U 109.2 . . ?
H15T C159 H15U 107.9 . . ?
C160 C159 C158 111.9(15) . . ?
C160 C159 H15T 109.2 . . ?
C160 C159 H15U 109.2 . . ?
C159 C160 H16A 105.2 . . ?
C159 C160 H16B 105.2 . . ?
H16A C160 H16B 106.0 . . ?
C161 C160 C159 128.2(19) . . ?
C161 C160 H16A 105.2 . . ?
C161 C160 H16B 105.2 . . ?
C160 C161 H16C 104.7 . . ?
C160 C161 H16D 104.7 . . ?
C160 C161 C162 130.3(17) . . ?
H16C C161 H16D 105.7 . . ?
C162 C161 H16C 104.7 . . ?
C162 C161 H16D 104.7 . . ?
C161 C162 H16E 106.0 . . ?
C161 C162 H16F 106.0 . . ?
H16E C162 H16F 106.3 . . ?
C163 C162 C161 125.4(16) . . ?
C163 C162 H16E 106.0 . . ?
C163 C162 H16F 106.0 . . ?
C162 C163 H16G 105.7 . . ?
C162 C163 H16H 105.7 . . ?
C162 C163 C164 126.6(18) . . ?
H16G C163 H16H 106.1 . . ?
C164 C163 H16G 105.7 . . ?
C164 C163 H16H 105.7 . . ?
C163 C164 H16I 109.5 . . ?
C163 C164 H16J 109.5 . . ?
C163 C164 H16K 109.5 . . ?
H16I C164 H16J 109.5 . . ?
H16I C164 H16K 109.5 . . ?
H16J C164 H16K 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Au2 S1 C1 C2 171.1(6) . . . . ?
Au2 S1 C1 C6 -12.1(8) . . . . ?
Au3 S6 C31 C32 23.2(7) . . . . ?
Au3 S6 C31 C36 -156.0(6) . . . . ?
Au4 S7 C37 C38 -7.3(8) . . . . ?
Au4 S7 C37 C42 175.9(6) . . . . ?
Au5 S8 C43 C44 -157.1(5) . . . . ?
Au5 S8 C43 C48 19.7(7) . . . . ?
Au6 S4 C19 C20 -137.7(6) . . . . ?
Au6 S4 C19 C24 40.5(7) . . . . ?
Au7 S5 C25 C26 135.9(6) . . . . ?
Au7 S5 C25 C30 -46.8(7) . . . . ?
Au8 S12 C72 C73 124.9(6) . . . . ?
Au8 S12 C72 C77 -56.3(7) . . . . ?
Au9 S14 C84 C85 -134.4(5) . . . . ?
Au9 S14 C84 C89 47.3(7) . . . . ?
Au10 S9 C49 C50 -22.1(8) . . . . ?
Au10 S9 C49 C54 162.3(7) . . . . ?
Au11 S15 C90 C91 104.7(8) . . . . ?
Au11 S15 C90 C95 -83.2(7) . . . . ?
Au12 S11 C61 C62 122.2(10) . . . . ?
Au12 S11 C61 C66 -73.1(14) . . . . ?
Au12 S11 C61 C67 110(3) . . . . ?
Au12 S11 C61 C71 -43.7(14) . . . . ?
Au13 S18 C112 C113 -38.6(12) . . . . ?
Au13 S18 C112 C117 136.6(10) . . . . ?
Au14 S2 C7 C8 86.4(7) . . . . ?
Au14 S2 C7 C12 -94.7(7) . . . . ?
Au14 S7 C37 C38 -101.4(7) . . . . ?
Au14 S7 C37 C42 81.7(7) . . . . ?
Au15 S2 C7 C8 81.7(8) . . . . ?
Au15 S2 C7 C12 -99.4(9) . . . . ?
Au15 S7 C37 C38 -106.6(9) . . . . ?
Au15 S7 C37 C42 76.6(9) . . . . ?
Au16 S1 C1 C2 80.7(7) . . . . ?
Au16 S1 C1 C6 -102.5(7) . . . . ?
Au16 S3 C13 C14 11.0(8) . . . . ?
Au16 S3 C13 C18 -173.3(6) . . . . ?
Au17 S2 C7 C8 -162.8(6) . . . . ?
Au17 S2 C7 C12 16.1(8) . . . . ?
Au17 S5 C25 C26 -138.7(6) . . . . ?
Au17 S5 C25 C30 38.6(7) . . . . ?
Au18 S2 C7 C8 -163.4(6) . . . . ?
Au18 S2 C7 C12 15.5(8) . . . . ?
Au18 S5 C25 C26 -139.5(6) . . . . ?
Au18 S5 C25 C30 37.8(7) . . . . ?
Au19 S8 C43 C44 114.9(6) . . . . ?
Au19 S8 C43 C48 -68.4(7) . . . . ?
Au19 S13 C78 C79 -171.6(6) . . . . ?
Au19 S13 C78 C83 12.3(8) . . . . ?
Au20 S3 C13 C14 118.3(7) . . . . ?
Au20 S3 C13 C18 -66.1(7) . . . . ?
Au20 S9 C49 C50 68.4(7) . . . . ?
Au20 S9 C49 C54 -107.2(7) . . . . ?
Au21 S4 C19 C20 130.1(6) . . . . ?
Au21 S4 C19 C24 -51.7(7) . . . . ?
Au21 S10 C55 C56 -111.3(8) . . . . ?
Au21 S10 C55 C60 72.7(8) . . . . ?
Au22 S12 C72 C73 -146.2(6) . . . . ?
Au22 S12 C72 C77 32.6(7) . . . . ?
Au22 S13 C78 C79 -62.4(7) . . . . ?
Au22 S13 C78 C83 121.4(7) . . . . ?
Au23 S10 C55 C56 -0.9(9) . . . . ?
Au23 S10 C55 C60 -176.9(7) . . . . ?
Au23 S11 C61 C62 -148.9(10) . . . . ?
Au23 S11 C61 C66 15.7(15) . . . . ?
Au24 S10 C55 C56 8.0(14) . . . . ?
Au24 S10 C55 C60 -168.0(12) . . . . ?
Au24 S11 C61 C67 -167(3) . . . . ?
Au24 S11 C61 C71 39.7(14) . . . . ?
Au25 S6 C31 C32 -69.0(6) . . . . ?
Au25 S6 C31 C36 111.7(6) . . . . ?
Au25 S16 C96 C97 59.0(7) . . . . ?
Au25 S16 C96 C101 -127.2(6) . . . . ?
Au26 S14 C84 C85 138.8(6) . . . . ?
Au26 S14 C84 C89 -39.4(7) . . . . ?
Au26 S17 C102 C103 -117.7(16) . . . . ?
Au26 S17 C102 C107 71.6(12) . . . . ?
Au26 S17 C102 C108 -148(2) . . . . ?
Au26 S17 C102 C111 30(2) . . . . ?
Au27 S15 C90 C91 11.2(8) . . . . ?
Au27 S15 C90 C95 -176.6(7) . . . . ?
Au27 S17 C102 C103 -6.1(17) . . . . ?
Au27 S17 C102 C107 -176.8(11) . . . . ?
Au27 S17 C102 C108 -36(2) . . . . ?
Au27 S17 C102 C111 141(2) . . . . ?
Au28 S16 C96 C97 167.6(6) . . . . ?
Au28 S16 C96 C101 -18.6(7) . . . . ?
Au28 S18 C112 C113 52.1(12) . . . . ?
Au28 S18 C112 C117 -132.6(10) . . . . ?
S1 C1 C2 C3 175.3(8) . . . . ?
S1 C1 C6 C5 -174.1(6) . . . . ?
S2 C7 C8 C9 178.7(8) . . . . ?
S2 C7 C12 C11 -179.5(7) . . . . ?
S3 C13 C14 C15 174.6(6) . . . . ?
S3 C13 C18 C17 -176.4(7) . . . . ?
S4 C19 C20 C21 177.9(7) . . . . ?
S4 C19 C24 C23 -177.2(7) . . . . ?
S5 C25 C26 C27 178.5(7) . . . . ?
S5 C25 C30 C29 -177.7(6) . . . . ?
S6 C31 C32 C33 -178.7(6) . . . . ?
S6 C31 C36 C35 179.5(7) . . . . ?
S7 C37 C38 C39 -173.6(7) . . . . ?
S7 C37 C42 C41 173.8(8) . . . . ?
S8 C43 C44 C45 178.3(7) . . . . ?
S8 C43 C48 C47 -178.0(6) . . . . ?
S9 C49 C50 C51 -178.7(6) . . . . ?
S9 C49 C54 C53 178.4(8) . . . . ?
S10 C55 C56 C57 -174.3(8) . . . . ?
S10 C55 C60 C59 175.5(9) . . . . ?
S11 C61 C62 C63 178.6(15) . . . . ?
S11 C61 C66 C65 -169.7(12) . . . . ?
S11 C61 C67 C68 174(3) . . . . ?
S11 C61 C71 C70 -179(2) . . . . ?
S12 C72 C73 C74 178.2(6) . . . . ?
S12 C72 C77 C76 -179.9(6) . . . . ?
S13 C78 C79 C80 -178.5(7) . . . . ?
S13 C78 C83 C82 177.2(7) . . . . ?
S14 C84 C85 C86 -178.2(7) . . . . ?
S14 C84 C89 C88 179.0(6) . . . . ?
S15 C90 C91 C92 173.2(8) . . . . ?
S15 C90 C95 C94 -173.1(8) . . . . ?
S16 C96 C97 C98 174.8(7) . . . . ?
S16 C96 C101 C100 -175.2(7) . . . . ?
S17 C102 C103 C104 -172.8(16) . . . . ?
S17 C102 C107 C106 177.2(13) . . . . ?
S17 C102 C108 C109 -174(3) . . . . ?
S17 C102 C111 C110 171(3) . . . . ?
S18 C112 C113 C114 176.7(12) . . . . ?
S18 C112 C117 C116 -177.9(11) . . . . ?
S18 C118 C119 C120 171(4) . . . . ?
S18 C118 C123 C122 -173(3) . . . . ?
C1 C2 C3 C4 -0.5(16) . . . . ?
C2 C1 C6 C5 2.7(12) . . . . ?
C2 C3 C4 C5 1.7(16) . . . . ?
C3 C4 C5 C6 -0.7(14) . . . . ?
C4 C5 C6 C1 -1.5(13) . . . . ?
C6 C1 C2 C3 -1.7(14) . . . . ?
C7 C8 C9 C10 1.9(16) . . . . ?
C8 C7 C12 C11 -0.6(14) . . . . ?
C8 C9 C10 C11 -2.5(17) . . . . ?
C9 C10 C11 C12 1.6(17) . . . . ?
C10 C11 C12 C7 0.0(15) . . . . ?
C12 C7 C8 C9 -0.3(14) . . . . ?
C13 C14 C15 C16 2.2(13) . . . . ?
C14 C13 C18 C17 -0.5(13) . . . . ?
C14 C15 C16 C17 -1.8(13) . . . . ?
C15 C16 C17 C18 0.3(14) . . . . ?
C16 C17 C18 C13 0.9(14) . . . . ?
C18 C13 C14 C15 -1.0(13) . . . . ?
C19 C20 C21 C22 0.9(14) . . . . ?
C20 C19 C24 C23 1.0(13) . . . . ?
C20 C21 C22 C23 -1.9(15) . . . . ?
C21 C22 C23 C24 2.6(15) . . . . ?
C22 C23 C24 C19 -2.0(14) . . . . ?
C24 C19 C20 C21 -0.4(13) . . . . ?
C25 C26 C27 C28 -1.2(14) . . . . ?
C26 C25 C30 C29 -0.4(12) . . . . ?
C26 C27 C28 C29 0.7(14) . . . . ?
C27 C28 C29 C30 -0.1(14) . . . . ?
C28 C29 C30 C25 -0.1(13) . . . . ?
C30 C25 C26 C27 1.1(13) . . . . ?
C31 C32 C33 C34 -1.4(13) . . . . ?
C32 C31 C36 C35 0.2(12) . . . . ?
C32 C33 C34 C35 1.6(15) . . . . ?
C33 C34 C35 C36 -0.9(15) . . . . ?
C34 C35 C36 C31 0.0(14) . . . . ?
C36 C31 C32 C33 0.5(12) . . . . ?
C37 C38 C39 C40 -0.1(15) . . . . ?
C38 C37 C42 C41 -3.1(14) . . . . ?
C38 C39 C40 C41 -2.8(17) . . . . ?
C39 C40 C41 C42 2.8(18) . . . . ?
C40 C41 C42 C37 0.1(16) . . . . ?
C42 C37 C38 C39 3.1(13) . . . . ?
C43 C44 C45 C46 -1.2(14) . . . . ?
C44 C43 C48 C47 -1.4(12) . . . . ?
C44 C45 C46 C47 0.7(14) . . . . ?
C45 C46 C47 C48 -0.6(14) . . . . ?
C46 C47 C48 C43 0.9(13) . . . . ?
C48 C43 C44 C45 1.5(12) . . . . ?
C49 C50 C51 C52 3.0(13) . . . . ?
C50 C49 C54 C53 2.6(14) . . . . ?
C50 C51 C52 C53 -2.5(15) . . . . ?
C51 C52 C53 C54 2.0(17) . . . . ?
C52 C53 C54 C49 -2.1(17) . . . . ?
C54 C49 C50 C51 -3.0(12) . . . . ?
C55 C56 C57 C58 -0.3(17) . . . . ?
C56 C55 C60 C59 -0.6(16) . . . . ?
C56 C57 C58 C59 -2(2) . . . . ?
C57 C58 C59 C60 3(2) . . . . ?
C58 C59 C60 C55 -1.7(19) . . . . ?
C60 C55 C56 C57 1.6(15) . . . . ?
C61 C62 C63 C64 -10(3) . . . . ?
C61 C67 C68 C69 34(7) . . . . ?
C62 C61 C66 C65 -6(2) . . . . ?
C62 C63 C64 C65 2(4) . . . . ?
C63 C64 C65 C66 5(4) . . . . ?
C64 C65 C66 C61 -3(3) . . . . ?
C66 C61 C62 C63 13(3) . . . . ?
C67 C61 C71 C70 23(4) . . . . ?
C67 C68 C69 C70 -23(7) . . . . ?
C68 C69 C70 C71 17(7) . . . . ?
C69 C70 C71 C61 -16(5) . . . . ?
C71 C61 C67 C68 -33(5) . . . . ?
C72 C73 C74 C75 0.4(13) . . . . ?
C73 C72 C77 C76 -1.1(12) . . . . ?
C73 C74 C75 C76 1.5(13) . . . . ?
C74 C75 C76 C77 -3.2(13) . . . . ?
C75 C76 C77 C72 3.0(13) . . . . ?
C77 C72 C73 C74 -0.6(12) . . . . ?
C78 C79 C80 C81 3.5(14) . . . . ?
C79 C78 C83 C82 1.2(13) . . . . ?
C79 C80 C81 C82 -3.6(15) . . . . ?
C80 C81 C82 C83 2.4(15) . . . . ?
C81 C82 C83 C78 -1.2(14) . . . . ?
C83 C78 C79 C80 -2.3(13) . . . . ?
C84 C85 C86 C87 -0.9(13) . . . . ?
C85 C84 C89 C88 0.8(11) . . . . ?
C85 C86 C87 C88 0.8(13) . . . . ?
C86 C87 C88 C89 0.1(13) . . . . ?
C87 C88 C89 C84 -1.0(12) . . . . ?
C89 C84 C85 C86 0.1(12) . . . . ?
C90 C91 C92 C93 -1.0(17) . . . . ?
C91 C90 C95 C94 -0.7(15) . . . . ?
C91 C92 C93 C94 0.3(17) . . . . ?
C92 C93 C94 C95 0.2(17) . . . . ?
C93 C94 C95 C90 0.0(17) . . . . ?
C95 C90 C91 C92 1.2(15) . . . . ?
C96 C97 C98 C99 -1.7(14) . . . . ?
C97 C96 C101 C100 -1.4(13) . . . . ?
C97 C98 C99 C100 3.1(15) . . . . ?
C98 C99 C100 C101 -3.5(14) . . . . ?
C99 C100 C101 C96 2.7(14) . . . . ?
C101 C96 C97 C98 0.9(12) . . . . ?
C102 C103 C104 C105 -4(4) . . . . ?
C102 C108 C109 C105 2(7) . . . . ?
C103 C102 C107 C106 6(2) . . . . ?
C103 C104 C105 C106 7(3) . . . . ?
C104 C105 C106 C107 -3(3) . . . . ?
C105 C106 C107 C102 -3(3) . . . . ?
C105 C110 C111 C102 4(7) . . . . ?
C107 C102 C103 C104 -3(3) . . . . ?
C108 C102 C111 C110 -11(5) . . . . ?
C109 C105 C110 C111 7(6) . . . . ?
C110 C105 C109 C108 -10(7) . . . . ?
C111 C102 C108 C109 8(5) . . . . ?
C112 C113 C114 C115 0(3) . . . . ?
C113 C112 C117 C116 -3(2) . . . . ?
C113 C114 C115 C116 0(3) . . . . ?
C114 C115 C116 C117 -1(3) . . . . ?
C115 C116 C117 C112 2(2) . . . . ?
C117 C112 C113 C114 1(2) . . . . ?
C118 C119 C120 C121 6(7) . . . . ?
C119 C118 C123 C122 6(5) . . . . ?
C119 C120 C121 C122 -1(8) . . . . ?
C120 C121 C122 C123 -2(6) . . . . ?
C121 C122 C123 C118 -1(5) . . . . ?
C123 C118 C119 C120 -9(6) . . . . ?
C124 C125 C126 C127 0.0 . . . . ?
C125 C124 C129 C128 0.0 . . . . ?
C125 C126 C127 C128 0.0 . . . . ?
C126 C127 C128 C129 0.0 . . . . ?
C127 C128 C129 C124 0.0 . . . . ?
C129 C124 C125 C126 0.0 . . . . ?
C130 C124 C125 C126 176.5(10) . . . . ?
C130 C124 C129 C128 -176.2(10) . . . . ?
N1 C133 C134 C135 -166.2(10) . . . . ?
N1 C141 C142 C143 -171.9(9) . . . . ?
N1 C149 C150 C151 -172.6(10) . . . . ?
N1 C157 C158 C159 -177.8(11) . . . . ?
C133 N1 C141 C142 49.6(13) . . . . ?
C133 N1 C149 C150 175.0(11) . . . . ?
C133 N1 C157 C158 -66.8(15) . . . . ?
C133 C134 C135 C136 -175.3(11) . . . . ?
C134 C135 C136 C137 -65.1(15) . . . . ?
C135 C136 C137 C138 176.9(10) . . . . ?
C136 C137 C138 C139 76.8(15) . . . . ?
C137 C138 C139 C140 -172.2(11) . . . . ?
C141 N1 C133 C134 58.5(14) . . . . ?
C141 N1 C149 C150 -64.9(14) . . . . ?
C141 N1 C157 C158 170.8(12) . . . . ?
C141 C142 C143 C144 77.3(15) . . . . ?
C142 C143 C144 C145 68.9(19) . . . . ?
C143 C144 C145 C146 175.9(13) . . . . ?
C144 C145 C146 C147 -169.4(14) . . . . ?
C145 C146 C147 C148 177.4(13) . . . . ?
C149 N1 C133 C134 178.3(11) . . . . ?
C149 N1 C141 C142 -66.4(12) . . . . ?
C149 N1 C157 C158 49.7(15) . . . . ?
C149 C150 C151 C152 166.2(13) . . . . ?
C150 C151 C152 C153 170.9(13) . . . . ?
C151 C152 C153 C154 -174.5(16) . . . . ?
C152 C153 C154 C155 -26(3) . . . . ?
C153 C154 C155 C156 -179.9(19) . . . . ?
C157 N1 C133 C134 -61.7(14) . . . . ?
C157 N1 C141 C142 172.6(9) . . . . ?
C157 N1 C149 C150 54.0(15) . . . . ?
C157 C158 C159 C160 140.0(17) . . . . ?
C158 C159 C160 C161 -106(3) . . . . ?
C159 C160 C161 C162 -167(2) . . . . ?
C160 C161 C162 C163 174(3) . . . . ?
C161 C162 C163 C164 -179(2) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'


_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: toluene/ethanol'
