#------------------------------------------------------------------------------
#$Date: 2017-11-10 07:07:07 +0200 (Fri, 10 Nov 2017) $
#$Revision: 203029 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/79/1547946.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1547946
loop_
_publ_author_name
'Jin, Rongchao'
'Jin, Renxi'
'Zhao, Shuo'
'Liu, Chong'
'Zhou, Meng'
'Panapitiya, Gihan'
'Xing, Yan'
'Rosi, Nathaniel L.'
'Lewis, James P.'
_publ_section_title
;
 Controlling Ag-Doping in [AgxAu25-x(SC6H11)18]-- Nanoclusters, Cryogenic
 Optical, Electronic and Electrocatalytic Properties
;
_journal_name_full               Nanoscale
_journal_paper_doi               10.1039/C7NR05871C
_journal_year                    2017
_chemical_formula_moiety
'2(C108 H198 Ag20.33 Au4.67 S18), 0.25(C24 H20 P)'
_chemical_formula_sum            'C221.98 H400.98 Ag40.77 Au9.23 P0.25 S36'
_chemical_formula_weight         10447.91
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2017-09-28
_audit_creation_method
;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_audit_update_record
;
2017-10-10 deposited with the CCDC.
2017-11-06 downloaded from the CCDC.
;
_cell_angle_alpha                89.303(2)
_cell_angle_beta                 84.834(2)
_cell_angle_gamma                86.718(2)
_cell_formula_units_Z            1
_cell_length_a                   17.6005(4)
_cell_length_b                   18.7929(5)
_cell_length_c                   26.8471(6)
_cell_measurement_reflns_used    9986
_cell_measurement_temperature    230.0
_cell_measurement_theta_max      68.268
_cell_measurement_theta_min      2.868
_cell_volume                     8829.3(4)
_computing_cell_refinement       'SAINT v8.34A (Bruker, 2013)'
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      230.0
_diffrn_measured_fraction_theta_full 0.975
_diffrn_measured_fraction_theta_max 0.967
_diffrn_measurement_device_type  'Bruker X8 Prospector Ultra'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.1301
_diffrn_reflns_av_unetI/netI     0.1184
_diffrn_reflns_Laue_measured_fraction_full 0.975
_diffrn_reflns_Laue_measured_fraction_max 0.967
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            117636
_diffrn_reflns_point_group_measured_fraction_full 0.975
_diffrn_reflns_point_group_measured_fraction_max 0.967
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         68.785
_diffrn_reflns_theta_min         1.652
_exptl_absorpt_coefficient_mu    26.899
_exptl_absorpt_correction_T_max  0.753
_exptl_absorpt_correction_T_min  0.349
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2014/4 (Bruker,2014/4) was used for absorption correction.
wR2(int) was 0.1628 before and 0.0735 after correction.
The Ratio of minimum to maximum transmission is 0.4635.
The λ/2 correction factor is 0.00150.
;
_exptl_crystal_density_diffrn    1.965
_exptl_crystal_description       plate
_exptl_crystal_F_000             4958
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.02
_refine_diff_density_max         3.080
_refine_diff_density_min         -1.697
_refine_diff_density_rms         0.334
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.011
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1347
_refine_ls_number_reflns         31597
_refine_ls_number_restraints     3462
_refine_ls_restrained_S_all      0.983
_refine_ls_R_factor_all          0.1354
_refine_ls_R_factor_gt           0.0758
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1434P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2103
_refine_ls_wR_factor_ref         0.2579
_reflns_Friedel_coverage         0.000
_reflns_number_gt                18116
_reflns_number_total             31597
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c7nr05871c2.cif
_cod_data_source_block           lcau1016_0m
_cod_database_code               1547946
_shelxl_version_number           2014/6
_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.
;
_shelx_estimated_absorpt_t_max   0.615
_shelx_estimated_absorpt_t_min   0.174
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2. Shared sites
{Au26, Ag26}
{Au25, Ag25}
{Au24, Ag24}
{Au23, Ag23}
{Au22, Ag22}
{Au21, Ag21}
{Au19, Ag19}
{Au18, Ag18}
{Au17, Ag17}
{Au16, Ag16}
{Au15, Ag15}
{Au13, Ag13}
{Au10, Ag10}
{Au8, Ag8}
{Au7, Ag7}
{Au6, Ag6}
{Au5, Ag5}
{Au4, Ag4}
{Au3, Ag3}
3. Uiso/Uaniso restraints and constraints
All non-hydrogen atoms have similar U: within 2A with sigma of 0.01 and sigma
for terminal atoms of 0.02
Uanis(Au26) = Uanis(Ag26)
Uanis(Au25) = Uanis(Ag25)
Uanis(Au24) = Uanis(Ag24)
Uanis(Au23) = Uanis(Ag23)
Uanis(Au22) = Uanis(Ag22)
Uanis(Au21) = Uanis(Ag21)
Uanis(Au19) = Uanis(Ag19)
Uanis(Au18) = Uanis(Ag18)
Uanis(Au17) = Uanis(Ag17)
Uanis(Au16) = Uanis(Ag16)
Uanis(Au15) = Uanis(Ag15)
Uanis(Au13) = Uanis(Ag13)
Uanis(Au10) = Uanis(Ag10)
Uanis(Au8) = Uanis(Ag8)
Uanis(Au7) = Uanis(Ag7)
Uanis(Au6) = Uanis(Ag6)
Uanis(Au5) = Uanis(Ag5)
Uanis(Au4) = Uanis(Ag4)
Uanis(Au3) = Uanis(Ag3)
4. Rigid body (RIGU) restrains
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
5. Others
 Sof(Ag3)=1-FVAR(1)
 Sof(Au3)=FVAR(1)
 Sof(Ag4)=1-FVAR(2)
 Sof(Au4)=FVAR(2)
 Sof(Ag5)=1-FVAR(3)
 Sof(Au5)=FVAR(3)
 Sof(Ag6)=1-FVAR(4)
 Sof(Au6)=FVAR(4)
 Sof(Ag7)=1-FVAR(5)
 Sof(Au7)=FVAR(5)
 Sof(Ag8)=1-FVAR(6)
 Sof(Au8)=FVAR(6)
 Sof(Ag10)=1-FVAR(7)
 Sof(Au10)=FVAR(7)
 Sof(Ag13)=1-FVAR(8)
 Sof(Au13)=FVAR(8)
 Sof(Ag15)=1-FVAR(9)
 Sof(Au15)=FVAR(9)
 Sof(Ag16)=1-FVAR(10)
 Sof(Au16)=FVAR(10)
 Sof(Ag17)=1-FVAR(11)
 Sof(Au17)=FVAR(11)
 Sof(Ag18)=1-FVAR(12)
 Sof(Au18)=FVAR(12)
 Sof(Ag19)=1-FVAR(13)
 Sof(Au19)=FVAR(13)
 Sof(Ag21)=1-FVAR(14)
 Sof(Au21)=FVAR(14)
 Sof(Ag22)=1-FVAR(15)
 Sof(Au22)=FVAR(15)
 Sof(Ag23)=1-FVAR(16)
 Sof(Au23)=FVAR(16)
 Sof(Ag24)=1-FVAR(17)
 Sof(Au24)=FVAR(17)
 Sof(Ag25)=1-FVAR(18)
 Sof(Au25)=FVAR(18)
 Sof(Ag26)=1-FVAR(19)
 Sof(Au26)=FVAR(19)
 Sof(P1)=Sof(C109)=Sof(C110)=Sof(H110)=Sof(C111)=Sof(H111)=Sof(C112)=Sof(H112)=
 Sof(C113)=Sof(H113)=Sof(C114)=Sof(H114)=Sof(C115)=Sof(C116)=Sof(H116)=
 Sof(C117)=Sof(H117)=Sof(C118)=Sof(H118)=Sof(C119)=Sof(H119)=Sof(C120)=
 Sof(H120)=Sof(C121)=Sof(C122)=Sof(H122)=Sof(C123)=Sof(H123)=Sof(C124)=
 Sof(H124)=Sof(C125)=Sof(H125)=Sof(C126)=Sof(H126)=Sof(C127)=Sof(C128)=
 Sof(H128)=Sof(C129)=Sof(H129)=Sof(C130)=Sof(H130)=Sof(C131)=Sof(H131)=
 Sof(C132)=Sof(H132)=FVAR(20)
6.a Everything fixed:
 C109, C110, C111, C112, C113, C114, C115, C116, C117, C118, C119, C120, C121,
 C122, C123, C124, C125, C126, C127, C128, C129, C130, C131, C132
6.b Free rotating group:
 C92(C93,C94,C95,C96,C91,C97,C98,C99,C100,C101,C102), C103(C104,C105,C106,C107,
 C108,P1)
6.c Ternary CH refined with riding coordinates:
 C1(H1), C7(H7), C13(H13), C19(H19), C25(H25), C31(H31), C37(H37), C43(H43),
 C49(H49), C55(H55), C61(H61), C67(H67), C73(H73), C79(H79), C85(H85), C91(H91),
  C97(H97), C103(H103)
6.d Secondary CH2 refined with riding coordinates:
 C2(H2A,H2B), C3(H3A,H3B), C4(H4A,H4B), C5(H5A,H5B), C6(H6A,H6B), C8(H8A,H8B),
 C9(H9A,H9B), C10(H10A,H10B), C11(H11A,H11B), C12(H12A,H12B), C14(H14A,H14B),
 C15(H15A,H15B), C16(H16A,H16B), C17(H17A,H17B), C18(H18A,H18B), C20(H20A,H20B),
  C21(H21A,H21B), C22(H22A,H22B), C23(H23A,H23B), C24(H24A,H24B), C26(H26A,
 H26B), C27(H27A,H27B), C28(H28A,H28B), C29(H29A,H29B), C30(H30A,H30B),
 C32(H32A,H32B), C33(H33A,H33B), C34(H34A,H34B), C35(H35A,H35B), C36(H36A,H36B),
  C38(H38A,H38B), C39(H39A,H39B), C40(H40A,H40B), C41(H41A,H41B), C42(H42A,
 H42B), C44(H44A,H44B), C45(H45A,H45B), C46(H46A,H46B), C47(H47A,H47B),
 C48(H48A,H48B), C50(H50A,H50B), C51(H51A,H51B), C52(H52A,H52B), C53(H53A,H53B),
  C54(H54A,H54B), C56(H56A,H56B), C57(H57A,H57B), C58(H58A,H58B), C59(H59A,
 H59B), C60(H60A,H60B), C62(H62A,H62B), C63(H63A,H63B), C64(H64A,H64B),
 C65(H65A,H65B), C66(H66A,H66B), C68(H68A,H68B), C69(H69A,H69B), C70(H70A,H70B),
  C71(H71A,H71B), C72(H72A,H72B), C74(H74A,H74B), C75(H75A,H75B), C76(H76A,
 H76B), C77(H77A,H77B), C78(H78A,H78B), C80(H80A,H80B), C81(H81A,H81B),
 C82(H82A,H82B), C83(H83A,H83B), C84(H84A,H84B), C86(H86A,H86B), C87(H87A,H87B),
  C88(H88A,H88B), C89(H89A,H89B), C90(H90A,H90B), C92(H92A,H92B), C93(H93A,
 H93B), C94(H94A,H94B), C95(H95A,H95B), C96(H96A,H96B), C98(H98A,H98B),
 C99(H99A,H99B), C100(H10C,H10D), C101(H10E,H10F), C102(H10G,H10H), C104(H10I,
 H10J), C105(H10K,H10L), C106(H10M,H10N), C107(H10O,H10P), C108(H10Q,H10R)
6.e Aromatic/amide H refined with riding coordinates:
 C110(H110), C111(H111), C112(H112), C113(H113), C114(H114), C116(H116),
 C117(H117), C118(H118), C119(H119), C120(H120), C122(H122), C123(H123),
 C124(H124), C125(H125), C126(H126), C128(H128), C129(H129), C130(H130),
 C131(H131), C132(H132)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
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 0.5000 1.0000 1.0000 0.0399(2) Uani 1 2 d S TU P A .
Au2 Au 0.0000 0.5000 0.5000 0.0404(2) Uani 1 2 d S TU P . .
Ag9 Ag 0.17047(9) 0.64225(9) 0.58114(7) 0.0702(4) Uani 1 1 d . U . . .
Ag11 Ag 0.00562(10) 0.40725(9) 0.66590(6) 0.0739(5) Uani 1 1 d . U . . .
Ag12 Ag 0.45611(11) 0.90740(9) 0.83837(6) 0.0750(5) Uani 1 1 d . U . . .
Ag14 Ag 0.11208(14) 0.26048(10) 0.48352(7) 0.0932(7) Uani 1 1 d . U . . .
Ag20 Ag 0.38163(7) 0.91623(7) 1.03402(5) 0.0492(3) Uani 1 1 d . U . . .
Au3 Au 0.71337(6) 1.00027(7) 0.87269(4) 0.0625(5) Uani 0.404(9) 1 d . U . A 1
Au4 Au 0.43418(7) 0.75124(6) 1.01665(4) 0.0659(5) Uani 0.433(9) 1 d . U . A 1
Au5 Au 0.15104(8) 0.35373(7) 0.37578(5) 0.0659(5) Uani 0.362(9) 1 d . U . B 1
Au6 Au -0.14608(7) 0.34076(7) 0.61004(5) 0.0660(5) Uani 0.386(9) 1 d . U . B 1
Au7 Au 0.40073(8) 1.08551(7) 0.84448(5) 0.0676(5) Uani 0.302(9) 1 d . U . A 1
Au8 Au 0.25819(8) 0.47416(8) 0.54652(5) 0.0703(5) Uani 0.336(9) 1 d . U . B 1
Au10 Au 0.76829(9) 1.02782(11) 0.99438(6) 0.0761(7) Uani 0.063(9) 1 d . U . A 1
Au13 Au 0.63190(11) 0.76864(9) 0.99251(8) 0.0864(8) Uani 0.058(10) 1 d . U . A
1
Au15 Au 0.48914(7) 0.87348(7) 0.94891(5) 0.0528(5) Uani 0.117(8) 1 d . U . A 1
Au16 Au 0.63733(7) 0.92842(7) 0.96587(5) 0.0532(5) Uani 0.153(8) 1 d . U . A 1
Au17 Au 0.62095(7) 1.00300(7) 1.06077(5) 0.0515(5) Uani 0.098(9) 1 d . U . A 1
Au18 Au 0.00421(7) 0.61846(6) 0.56049(5) 0.0538(5) Uani 0.149(8) 1 d . U . B 1
Au19 Au 0.53855(7) 1.00286(7) 0.89779(4) 0.0522(5) Uani 0.084(8) 1 d . U . A 1
Au21 Au 0.46349(8) 1.12448(7) 0.94938(5) 0.0551(5) Uani 0.123(8) 1 d . U . A 1
Au22 Au 0.08959(7) 0.48354(7) 0.57989(5) 0.0529(5) Uani 0.098(9) 1 d . U . B 1
Au23 Au 0.07930(8) 0.50604(7) 0.40602(5) 0.0545(5) Uani 0.096(8) 1 d . U . B 1
Au24 Au -0.13638(7) 0.43192(7) 0.50883(5) 0.0559(5) Uani 0.091(8) 1 d . U . B 1
Au25 Au 0.13447(7) 0.41537(7) 0.48353(5) 0.0580(5) Uani 0.156(9) 1 d . U . B 1
Au26 Au 0.00208(8) 0.36715(6) 0.54753(5) 0.0549(5) Uani 0.104(8) 1 d . U . B 1
Ag3 Ag 0.71337(6) 1.00027(7) 0.87269(4) 0.0625(5) Uani 0.596(9) 1 d . U . A 2
Ag4 Ag 0.43418(7) 0.75124(6) 1.01665(4) 0.0659(5) Uani 0.567(9) 1 d . U . A 2
Ag5 Ag 0.15104(8) 0.35373(7) 0.37578(5) 0.0659(5) Uani 0.638(9) 1 d . U . B 2
Ag6 Ag -0.14608(7) 0.34076(7) 0.61004(5) 0.0660(5) Uani 0.614(9) 1 d . U . B 2
Ag7 Ag 0.40073(8) 1.08551(7) 0.84448(5) 0.0676(5) Uani 0.698(9) 1 d . U . A 2
Ag8 Ag 0.25819(8) 0.47416(8) 0.54652(5) 0.0703(5) Uani 0.664(9) 1 d . U . B 2
Ag10 Ag 0.76829(9) 1.02782(11) 0.99438(6) 0.0761(7) Uani 0.937(9) 1 d . U . A 2
Ag13 Ag 0.63190(11) 0.76864(9) 0.99251(8) 0.0864(8) Uani 0.942(10) 1 d . U . A
2
Ag15 Ag 0.48914(7) 0.87348(7) 0.94891(5) 0.0528(5) Uani 0.883(8) 1 d . U . A 2
Ag16 Ag 0.63733(7) 0.92842(7) 0.96587(5) 0.0532(5) Uani 0.847(8) 1 d . U . A 2
Ag17 Ag 0.62095(7) 1.00300(7) 1.06077(5) 0.0515(5) Uani 0.902(9) 1 d . U . A 2
Ag18 Ag 0.00421(7) 0.61846(6) 0.56049(5) 0.0538(5) Uani 0.851(8) 1 d . U . B 2
Ag19 Ag 0.53855(7) 1.00286(7) 0.89779(4) 0.0522(5) Uani 0.916(8) 1 d . U . A 2
Ag21 Ag 0.46349(8) 1.12448(7) 0.94938(5) 0.0551(5) Uani 0.877(8) 1 d . U . A 2
Ag22 Ag 0.08959(7) 0.48354(7) 0.57989(5) 0.0529(5) Uani 0.902(9) 1 d . U . B 2
Ag23 Ag 0.07930(8) 0.50604(7) 0.40602(5) 0.0545(5) Uani 0.904(8) 1 d . U . B 2
Ag24 Ag -0.13638(7) 0.43192(7) 0.50883(5) 0.0559(5) Uani 0.909(8) 1 d . U . B 2
Ag25 Ag 0.13447(7) 0.41537(7) 0.48353(5) 0.0580(5) Uani 0.844(9) 1 d . U . B 2
Ag26 Ag 0.00208(8) 0.36715(6) 0.54753(5) 0.0549(5) Uani 0.896(8) 1 d . U . B 2
S1 S 0.0572(3) 0.7144(3) 0.6062(2) 0.0652(13) Uani 1 1 d . U . . .
S2 S 0.4089(3) 0.9967(3) 0.7830(2) 0.0712(14) Uani 1 1 d . U . . .
S3 S 0.6199(3) 0.9593(3) 0.82350(19) 0.0691(13) Uani 1 1 d . U . . .
S4 S 0.3818(4) 1.1910(3) 0.8940(2) 0.0721(14) Uani 1 1 d . U . . .
S5 S -0.2065(3) 0.3256(3) 0.5354(2) 0.0721(15) Uani 1 1 d . U . . .
S6 S 0.8190(3) 1.0408(3) 0.9089(2) 0.0669(13) Uani 1 1 d . U . . .
S7 S 0.3109(3) 0.8087(3) 1.0262(2) 0.0734(15) Uani 1 1 d . U . . .
S8 S 0.7552(3) 1.0002(4) 1.0821(2) 0.0712(14) Uani 1 1 d . U . . .
S9 S -0.1046(3) 0.3419(3) 0.6902(2) 0.0703(14) Uani 1 1 d . U . . .
S10 S 0.1867(4) 0.2399(3) 0.4063(2) 0.0739(14) Uani 1 1 d . U . . .
S11 S 0.2951(3) 0.5827(3) 0.5762(2) 0.0694(13) Uani 1 1 d . U . . .
S12 S 0.7387(3) 0.8341(3) 0.9595(2) 0.0711(13) Uani 1 1 d . U . . .
S13 S 0.4766(4) 0.7939(3) 0.8788(2) 0.0739(15) Uani 1 1 d . U . . .
S14 S 0.5449(4) 0.6760(3) 1.0101(2) 0.0756(15) Uani 1 1 d . U . . .
S15 S 0.1362(4) 0.4567(3) 0.3253(2) 0.0809(17) Uani 1 1 d . U . . .
S16 S 0.1322(4) 0.4483(3) 0.6627(2) 0.0788(16) Uani 1 1 d . U . . .
S17 S 0.2468(4) 0.3567(4) 0.5183(3) 0.0822(16) Uani 1 1 d . U . . .
S18 S 0.0312(5) 0.2395(3) 0.5595(3) 0.099(2) Uani 1 1 d . U . . .
C1 C 0.0394(13) 0.6965(13) 0.6731(9) 0.073(3) Uani 1 1 d . U . . .
H1 H -0.0157 0.7070 0.6828 0.088 Uiso 1 1 calc R . . . .
C2 C 0.0593(14) 0.6181(13) 0.6867(9) 0.078(4) Uani 1 1 d . U . . .
H2A H 0.1143 0.6071 0.6799 0.094 Uiso 1 1 calc R . . . .
H2B H 0.0321 0.5862 0.6668 0.094 Uiso 1 1 calc R . . . .
C3 C 0.0344(14) 0.6080(15) 0.7442(9) 0.084(4) Uani 1 1 d . U . . .
H3A H -0.0203 0.6202 0.7514 0.101 Uiso 1 1 calc R . . . .
H3B H 0.0450 0.5585 0.7546 0.101 Uiso 1 1 calc R . . . .
C4 C 0.0819(15) 0.6586(15) 0.7719(10) 0.088(4) Uani 1 1 d . U . . .
H4A H 0.1363 0.6448 0.7645 0.105 Uiso 1 1 calc R . . . .
H4B H 0.0695 0.6530 0.8080 0.105 Uiso 1 1 calc R . . . .
C5 C 0.0675(14) 0.7421(14) 0.7569(9) 0.084(4) Uani 1 1 d . U . . .
H5A H 0.0142 0.7581 0.7663 0.101 Uiso 1 1 calc R . . . .
H5B H 0.1007 0.7716 0.7744 0.101 Uiso 1 1 calc R . . . .
C6 C 0.0854(13) 0.7487(14) 0.7014(9) 0.078(4) Uani 1 1 d . U . . .
H6A H 0.1402 0.7384 0.6929 0.093 Uiso 1 1 calc R . . . .
H6B H 0.0728 0.7977 0.6907 0.093 Uiso 1 1 calc R . . . .
C7 C 0.3080(14) 0.9719(14) 0.7764(9) 0.081(3) Uani 1 1 d . U . . .
H7 H 0.2806 0.9690 0.8102 0.097 Uiso 1 1 calc R . . . .
C8 C 0.2680(15) 1.0299(15) 0.7468(10) 0.091(4) Uani 1 1 d . U . . .
H8A H 0.2948 1.0338 0.7134 0.109 Uiso 1 1 calc R . . . .
H8B H 0.2695 1.0758 0.7636 0.109 Uiso 1 1 calc R . . . .
C9 C 0.1844(16) 1.0132(16) 0.7422(11) 0.101(4) Uani 1 1 d . U . . .
H9A H 0.1564 1.0141 0.7754 0.121 Uiso 1 1 calc R . . . .
H9B H 0.1605 1.0499 0.7215 0.121 Uiso 1 1 calc R . . . .
C10 C 0.1791(18) 0.9402(16) 0.7187(11) 0.105(5) Uani 1 1 d . U . . .
H10A H 0.1991 0.9412 0.6835 0.126 Uiso 1 1 calc R . . . .
H10B H 0.1257 0.9275 0.7205 0.126 Uiso 1 1 calc R . . . .
C11 C 0.2280(16) 0.8831(16) 0.7488(11) 0.097(4) Uani 1 1 d . U . . .
H11A H 0.2036 0.8795 0.7829 0.116 Uiso 1 1 calc R . . . .
H11B H 0.2262 0.8365 0.7330 0.116 Uiso 1 1 calc R . . . .
C12 C 0.3083(15) 0.8986(14) 0.7514(10) 0.088(4) Uani 1 1 d . U . . .
H12A H 0.3351 0.8998 0.7178 0.106 Uiso 1 1 calc R . . . .
H12B H 0.3341 0.8620 0.7713 0.106 Uiso 1 1 calc R . . . .
C13 C 0.6159(16) 1.0202(16) 0.7701(9) 0.095(4) Uani 1 1 d . U . . .
H13 H 0.5692 1.0105 0.7540 0.114 Uiso 1 1 calc R . . . .
C14 C 0.613(2) 1.0947(18) 0.7784(11) 0.113(5) Uani 1 1 d . U . . .
H14A H 0.6496 1.1035 0.8030 0.136 Uiso 1 1 calc R . . . .
H14B H 0.5623 1.1090 0.7937 0.136 Uiso 1 1 calc R . . . .
C15 C 0.632(2) 1.146(2) 0.7315(12) 0.127(5) Uani 1 1 d . U . . .
H15A H 0.5843 1.1582 0.7159 0.153 Uiso 1 1 calc R . . . .
H15B H 0.6507 1.1903 0.7432 0.153 Uiso 1 1 calc R . . . .
C16 C 0.684(2) 1.116(2) 0.6972(12) 0.130(5) Uani 1 1 d . U . . .
H16A H 0.7341 1.1196 0.7097 0.156 Uiso 1 1 calc R . . . .
H16B H 0.6833 1.1452 0.6669 0.156 Uiso 1 1 calc R . . . .
C17 C 0.680(2) 1.0394(19) 0.6811(11) 0.126(5) Uani 1 1 d . U . . .
H17A H 0.7222 1.0257 0.6562 0.151 Uiso 1 1 calc R . . . .
H17B H 0.6314 1.0322 0.6670 0.151 Uiso 1 1 calc R . . . .
C18 C 0.6862(18) 0.9939(19) 0.7327(10) 0.116(5) Uani 1 1 d . U . . .
H18A H 0.6845 0.9428 0.7262 0.139 Uiso 1 1 calc R . . . .
H18B H 0.7344 1.0022 0.7468 0.139 Uiso 1 1 calc R . . . .
C19 C 0.4232(17) 1.2648(15) 0.8592(12) 0.100(4) Uani 1 1 d . U . . .
H19 H 0.4323 1.3017 0.8836 0.120 Uiso 1 1 calc R . . . .
C20 C 0.3707(19) 1.2954(18) 0.8268(13) 0.120(5) Uani 1 1 d . U . . .
H20A H 0.3203 1.3037 0.8452 0.144 Uiso 1 1 calc R . . . .
H20B H 0.3657 1.2629 0.7992 0.144 Uiso 1 1 calc R . . . .
C21 C 0.402(2) 1.3705(19) 0.8049(14) 0.133(5) Uani 1 1 d . U . . .
H21A H 0.3632 1.3967 0.7866 0.160 Uiso 1 1 calc R . . . .
H21B H 0.4158 1.4005 0.8318 0.160 Uiso 1 1 calc R . . . .
C22 C 0.468(2) 1.3478(19) 0.7718(14) 0.135(6) Uani 1 1 d . U . . .
H22A H 0.4885 1.3894 0.7541 0.162 Uiso 1 1 calc R . . . .
H22B H 0.4527 1.3152 0.7468 0.162 Uiso 1 1 calc R . . . .
C23 C 0.537(2) 1.3064(19) 0.8034(14) 0.131(5) Uani 1 1 d . U . . .
H23A H 0.5785 1.2845 0.7807 0.157 Uiso 1 1 calc R . . . .
H23B H 0.5584 1.3389 0.8261 0.157 Uiso 1 1 calc R . . . .
C24 C 0.4892(19) 1.2487(17) 0.8328(13) 0.119(5) Uani 1 1 d . U . . .
H24A H 0.4792 1.2129 0.8083 0.142 Uiso 1 1 calc R . . . .
H24B H 0.5228 1.2249 0.8559 0.142 Uiso 1 1 calc R . . . .
C25 C -0.3066(15) 0.3397(15) 0.5551(11) 0.094(3) Uani 1 1 d . U . . .
H25 H -0.3343 0.3345 0.5250 0.113 Uiso 1 1 calc R . . . .
C26 C -0.3326(15) 0.2838(17) 0.5908(12) 0.109(5) Uani 1 1 d . U . . .
H26A H -0.3061 0.2870 0.6212 0.130 Uiso 1 1 calc R . . . .
H26B H -0.3187 0.2369 0.5759 0.130 Uiso 1 1 calc R . . . .
C27 C -0.4200(17) 0.2903(18) 0.6050(13) 0.120(5) Uani 1 1 d . U . . .
H27A H -0.4462 0.2789 0.5756 0.143 Uiso 1 1 calc R . . . .
H27B H -0.4330 0.2551 0.6311 0.143 Uiso 1 1 calc R . . . .
C28 C -0.4474(19) 0.3588(19) 0.6223(13) 0.123(5) Uani 1 1 d . U . . .
H28A H -0.4275 0.3681 0.6543 0.148 Uiso 1 1 calc R . . . .
H28B H -0.5034 0.3608 0.6274 0.148 Uiso 1 1 calc R . . . .
C29 C -0.4198(17) 0.4199(19) 0.5807(13) 0.121(5) Uani 1 1 d . U . . .
H29A H -0.4414 0.4131 0.5488 0.145 Uiso 1 1 calc R . . . .
H29B H -0.4349 0.4681 0.5929 0.145 Uiso 1 1 calc R . . . .
C30 C -0.3293(16) 0.4071(17) 0.5748(12) 0.108(4) Uani 1 1 d . U . . .
H30A H -0.3072 0.4438 0.5527 0.129 Uiso 1 1 calc R . . . .
H30B H -0.3096 0.4114 0.6076 0.129 Uiso 1 1 calc R . . . .
C31 C 0.8918(12) 0.9669(14) 0.9001(9) 0.073(3) Uani 1 1 d . U . . .
H31 H 0.8698 0.9224 0.9134 0.087 Uiso 1 1 calc R . . . .
C32 C 0.9182(13) 0.9575(14) 0.8436(9) 0.080(4) Uani 1 1 d . U . . .
H32A H 0.8750 0.9453 0.8253 0.095 Uiso 1 1 calc R . . . .
H32B H 0.9376 1.0021 0.8296 0.095 Uiso 1 1 calc R . . . .
C33 C 0.9812(13) 0.8980(15) 0.8383(10) 0.087(4) Uani 1 1 d . U . . .
H33A H 0.9991 0.8925 0.8028 0.104 Uiso 1 1 calc R . . . .
H33B H 0.9599 0.8531 0.8500 0.104 Uiso 1 1 calc R . . . .
C34 C 1.0511(14) 0.9126(16) 0.8685(10) 0.088(4) Uani 1 1 d . U . . .
H34A H 1.0887 0.8720 0.8648 0.106 Uiso 1 1 calc R . . . .
H34B H 1.0757 0.9549 0.8547 0.106 Uiso 1 1 calc R . . . .
C35 C 1.0273(13) 0.9240(15) 0.9228(10) 0.086(4) Uani 1 1 d . U . . .
H35A H 1.0713 0.9380 0.9397 0.103 Uiso 1 1 calc R . . . .
H35B H 1.0103 0.8793 0.9380 0.103 Uiso 1 1 calc R . . . .
C36 C 0.9597(12) 0.9846(14) 0.9308(9) 0.079(4) Uani 1 1 d . U . . .
H36A H 0.9419 0.9877 0.9664 0.095 Uiso 1 1 calc R . . . .
H36B H 0.9787 1.0308 0.9200 0.095 Uiso 1 1 calc R . . . .
C37 C 0.2634(18) 0.7772(16) 1.0860(11) 0.101(4) Uani 1 1 d . U . . .
H37 H 0.2181 0.8097 1.0951 0.121 Uiso 1 1 calc R . . . .
C38 C 0.3082(19) 0.7747(18) 1.1251(11) 0.114(5) Uani 1 1 d . U . . .
H38A H 0.3255 0.8228 1.1295 0.136 Uiso 1 1 calc R . . . .
H38B H 0.3538 0.7438 1.1155 0.136 Uiso 1 1 calc R . . . .
C39 C 0.274(2) 0.7496(19) 1.1745(12) 0.127(5) Uani 1 1 d . U . . .
H39A H 0.2358 0.7852 1.1887 0.153 Uiso 1 1 calc R . . . .
H39B H 0.3139 0.7425 1.1976 0.153 Uiso 1 1 calc R . . . .
C40 C 0.236(2) 0.6769(19) 1.1669(13) 0.132(5) Uani 1 1 d . U . . .
H40A H 0.2088 0.6619 1.1985 0.158 Uiso 1 1 calc R . . . .
H40B H 0.2752 0.6397 1.1567 0.158 Uiso 1 1 calc R . . . .
C41 C 0.177(2) 0.6868(19) 1.1250(13) 0.131(5) Uani 1 1 d . U . . .
H41A H 0.1474 0.6444 1.1224 0.157 Uiso 1 1 calc R . . . .
H41B H 0.1415 0.7286 1.1315 0.157 Uiso 1 1 calc R . . . .
C42 C 0.2336(19) 0.6977(17) 1.0760(12) 0.119(5) Uani 1 1 d . U . . .
H42A H 0.2068 0.6970 1.0456 0.143 Uiso 1 1 calc R . . . .
H42B H 0.2759 0.6614 1.0737 0.143 Uiso 1 1 calc R . . . .
C43 C 0.7956(13) 0.9055(15) 1.0811(9) 0.082(3) Uani 1 1 d . U . . .
H43 H 0.7580 0.8755 1.0676 0.098 Uiso 1 1 calc R . . . .
C44 C 0.8030(15) 0.8830(16) 1.1348(10) 0.090(4) Uani 1 1 d . U . . .
H44A H 0.8333 0.9168 1.1508 0.108 Uiso 1 1 calc R . . . .
H44B H 0.7522 0.8834 1.1531 0.108 Uiso 1 1 calc R . . . .
C45 C 0.8406(15) 0.8104(17) 1.1368(11) 0.100(4) Uani 1 1 d . U . . .
H45A H 0.8044 0.7760 1.1279 0.120 Uiso 1 1 calc R . . . .
H45B H 0.8517 0.8002 1.1714 0.120 Uiso 1 1 calc R . . . .
C46 C 0.9151(16) 0.7982(18) 1.1026(11) 0.102(5) Uani 1 1 d . U . . .
H46A H 0.9551 0.8257 1.1149 0.122 Uiso 1 1 calc R . . . .
H46B H 0.9320 0.7476 1.1032 0.122 Uiso 1 1 calc R . . . .
C47 C 0.9024(16) 0.8208(17) 1.0501(11) 0.098(4) Uani 1 1 d . U . . .
H47A H 0.9512 0.8183 1.0293 0.118 Uiso 1 1 calc R . . . .
H47B H 0.8682 0.7886 1.0360 0.118 Uiso 1 1 calc R . . . .
C48 C 0.8678(14) 0.8953(16) 1.0498(10) 0.091(4) Uani 1 1 d . U . . .
H48A H 0.9045 0.9274 1.0614 0.109 Uiso 1 1 calc R . . . .
H48B H 0.8591 0.9089 1.0154 0.109 Uiso 1 1 calc R . . . .
C49 C -0.0627(16) 0.2508(14) 0.6981(10) 0.088(3) Uani 1 1 d . U . . .
H49 H -0.0262 0.2359 0.6694 0.106 Uiso 1 1 calc R . . . .
C50 C -0.0219(17) 0.2550(15) 0.7498(11) 0.098(4) Uani 1 1 d . U . . .
H50A H -0.0593 0.2660 0.7783 0.118 Uiso 1 1 calc R . . . .
H50B H 0.0169 0.2905 0.7475 0.118 Uiso 1 1 calc R . . . .
C51 C 0.0175(18) 0.1725(15) 0.7539(12) 0.108(5) Uani 1 1 d . U . . .
H51A H 0.0556 0.1638 0.7254 0.130 Uiso 1 1 calc R . . . .
H51B H 0.0439 0.1680 0.7846 0.130 Uiso 1 1 calc R . . . .
C52 C -0.0393(18) 0.1193(16) 0.7546(12) 0.110(5) Uani 1 1 d . U . . .
H52A H -0.0730 0.1243 0.7856 0.133 Uiso 1 1 calc R . . . .
H52B H -0.0133 0.0718 0.7549 0.133 Uiso 1 1 calc R . . . .
C53 C -0.0859(18) 0.1243(15) 0.7123(12) 0.107(5) Uani 1 1 d . U . . .
H53A H -0.1263 0.0905 0.7170 0.129 Uiso 1 1 calc R . . . .
H53B H -0.0540 0.1118 0.6815 0.129 Uiso 1 1 calc R . . . .
C54 C -0.1234(17) 0.2030(14) 0.7072(11) 0.099(4) Uani 1 1 d . U . . .
H54A H -0.1560 0.2055 0.6794 0.118 Uiso 1 1 calc R . . . .
H54B H -0.1549 0.2163 0.7380 0.118 Uiso 1 1 calc R . . . .
C55 C 0.1309(16) 0.1850(13) 0.3701(10) 0.084(3) Uani 1 1 d . U . . .
H55 H 0.0780 0.2065 0.3724 0.100 Uiso 1 1 calc R . . . .
C56 C 0.1600(16) 0.1838(13) 0.3156(10) 0.088(4) Uani 1 1 d . U . . .
H56A H 0.2129 0.1641 0.3118 0.106 Uiso 1 1 calc R . . . .
H56B H 0.1588 0.2324 0.3019 0.106 Uiso 1 1 calc R . . . .
C57 C 0.1084(17) 0.1369(14) 0.2867(11) 0.097(4) Uani 1 1 d . U . . .
H57A H 0.0562 0.1586 0.2902 0.116 Uiso 1 1 calc R . . . .
H57B H 0.1264 0.1384 0.2511 0.116 Uiso 1 1 calc R . . . .
C58 C 0.1057(18) 0.0663(14) 0.3015(11) 0.100(4) Uani 1 1 d . U . . .
H58A H 0.1561 0.0419 0.2944 0.121 Uiso 1 1 calc R . . . .
H58B H 0.0692 0.0425 0.2828 0.121 Uiso 1 1 calc R . . . .
C59 C 0.0813(18) 0.0623(15) 0.3574(11) 0.100(4) Uani 1 1 d . U . . .
H59A H 0.0866 0.0125 0.3684 0.120 Uiso 1 1 calc R . . . .
H59B H 0.0271 0.0779 0.3629 0.120 Uiso 1 1 calc R . . . .
C60 C 0.1270(17) 0.1075(14) 0.3896(11) 0.096(4) Uani 1 1 d . U . . .
H60A H 0.1790 0.0859 0.3900 0.115 Uiso 1 1 calc R . . . .
H60B H 0.1032 0.1078 0.4241 0.115 Uiso 1 1 calc R . . . .
C61 C 0.3118(14) 0.5637(15) 0.6415(9) 0.084(3) Uani 1 1 d . U . . .
H61 H 0.2695 0.5360 0.6570 0.101 Uiso 1 1 calc R . . . .
C62 C 0.3858(15) 0.5208(17) 0.6444(10) 0.096(4) Uani 1 1 d . U . . .
H62A H 0.3813 0.4734 0.6304 0.115 Uiso 1 1 calc R . . . .
H62B H 0.4263 0.5440 0.6240 0.115 Uiso 1 1 calc R . . . .
C63 C 0.4078(17) 0.5125(18) 0.6968(10) 0.105(5) Uani 1 1 d . U . . .
H63A H 0.4590 0.4889 0.6961 0.126 Uiso 1 1 calc R . . . .
H63B H 0.3722 0.4817 0.7156 0.126 Uiso 1 1 calc R . . . .
C64 C 0.4075(17) 0.5836(18) 0.7242(11) 0.107(5) Uani 1 1 d . U . . .
H64A H 0.4165 0.5750 0.7593 0.128 Uiso 1 1 calc R . . . .
H64B H 0.4483 0.6122 0.7088 0.128 Uiso 1 1 calc R . . . .
C65 C 0.3331(16) 0.6219(18) 0.7210(10) 0.102(5) Uani 1 1 d . U . . .
H65A H 0.3338 0.6685 0.7369 0.123 Uiso 1 1 calc R . . . .
H65B H 0.2936 0.5951 0.7398 0.123 Uiso 1 1 calc R . . . .
C66 C 0.3119(16) 0.6329(16) 0.6684(9) 0.092(4) Uani 1 1 d . U . . .
H66A H 0.2611 0.6572 0.6691 0.111 Uiso 1 1 calc R . . . .
H66B H 0.3484 0.6635 0.6503 0.111 Uiso 1 1 calc R . . . .
C67 C 0.7580(14) 0.8077(14) 0.8945(10) 0.082(3) Uani 1 1 d . U . . .
H67 H 0.7758 0.8492 0.8746 0.098 Uiso 1 1 calc R . . . .
C68 C 0.6922(14) 0.7805(15) 0.8723(10) 0.087(4) Uani 1 1 d . U . . .
H68A H 0.6517 0.8185 0.8722 0.105 Uiso 1 1 calc R . . . .
H68B H 0.6724 0.7412 0.8930 0.105 Uiso 1 1 calc R . . . .
C69 C 0.7142(16) 0.7520(16) 0.8142(10) 0.099(4) Uani 1 1 d . U . . .
H69A H 0.6687 0.7353 0.8005 0.119 Uiso 1 1 calc R . . . .
H69B H 0.7335 0.7910 0.7930 0.119 Uiso 1 1 calc R . . . .
C70 C 0.7746(16) 0.6918(17) 0.8150(11) 0.103(5) Uani 1 1 d . U . . .
H70A H 0.7914 0.6763 0.7809 0.124 Uiso 1 1 calc R . . . .
H70B H 0.7541 0.6511 0.8338 0.124 Uiso 1 1 calc R . . . .
C71 C 0.8422(16) 0.7197(17) 0.8403(10) 0.100(4) Uani 1 1 d . U . . .
H71A H 0.8632 0.7580 0.8191 0.120 Uiso 1 1 calc R . . . .
H71B H 0.8820 0.6810 0.8401 0.120 Uiso 1 1 calc R . . . .
C72 C 0.8280(15) 0.7492(15) 0.8959(10) 0.091(4) Uani 1 1 d . U . . .
H72A H 0.8736 0.7709 0.9059 0.110 Uiso 1 1 calc R . . . .
H72B H 0.8148 0.7107 0.9195 0.110 Uiso 1 1 calc R . . . .
C73 C 0.3820(16) 0.7549(14) 0.8862(9) 0.087(3) Uani 1 1 d . U . . .
H73 H 0.3804 0.7268 0.9177 0.104 Uiso 1 1 calc R . . . .
C74 C 0.3180(16) 0.8074(15) 0.8918(10) 0.093(4) Uani 1 1 d . U . . .
H74A H 0.3194 0.8372 0.8615 0.112 Uiso 1 1 calc R . . . .
H74B H 0.3257 0.8384 0.9198 0.112 Uiso 1 1 calc R . . . .
C75 C 0.2384(17) 0.7793(16) 0.9008(11) 0.105(4) Uani 1 1 d . U . . .
H75A H 0.2313 0.7595 0.9347 0.125 Uiso 1 1 calc R . . . .
H75B H 0.1999 0.8185 0.8978 0.125 Uiso 1 1 calc R . . . .
C76 C 0.2283(19) 0.7224(17) 0.8632(11) 0.112(5) Uani 1 1 d . U . . .
H76A H 0.2180 0.7449 0.8312 0.134 Uiso 1 1 calc R . . . .
H76B H 0.1842 0.6953 0.8749 0.134 Uiso 1 1 calc R . . . .
C77 C 0.2993(18) 0.6714(17) 0.8553(11) 0.110(5) Uani 1 1 d . U . . .
H77A H 0.3011 0.6410 0.8852 0.132 Uiso 1 1 calc R . . . .
H77B H 0.2922 0.6403 0.8273 0.132 Uiso 1 1 calc R . . . .
C78 C 0.3775(18) 0.7030(16) 0.8450(10) 0.101(4) Uani 1 1 d . U . . .
H78A H 0.4185 0.6656 0.8454 0.122 Uiso 1 1 calc R . . . .
H78B H 0.3815 0.7271 0.8124 0.122 Uiso 1 1 calc R . . . .
C79 C 0.5448(16) 0.6298(14) 0.9512(10) 0.090(3) Uani 1 1 d . U . . .
H79 H 0.5442 0.6655 0.9238 0.108 Uiso 1 1 calc R . . . .
C80 C 0.4770(17) 0.5853(16) 0.9496(11) 0.102(4) Uani 1 1 d . U . . .
H80A H 0.4298 0.6158 0.9511 0.123 Uiso 1 1 calc R . . . .
H80B H 0.4739 0.5521 0.9781 0.123 Uiso 1 1 calc R . . . .
C81 C 0.4880(18) 0.5415(17) 0.8974(12) 0.112(5) Uani 1 1 d . U . . .
H81A H 0.4438 0.5129 0.8945 0.135 Uiso 1 1 calc R . . . .
H81B H 0.4915 0.5750 0.8691 0.135 Uiso 1 1 calc R . . . .
C82 C 0.5650(17) 0.4901(16) 0.8960(12) 0.109(5) Uani 1 1 d . U . . .
H82A H 0.5638 0.4593 0.9258 0.131 Uiso 1 1 calc R . . . .
H82B H 0.5694 0.4599 0.8663 0.131 Uiso 1 1 calc R . . . .
C83 C 0.6298(18) 0.5357(16) 0.8948(11) 0.107(5) Uani 1 1 d . U . . .
H83A H 0.6280 0.5685 0.8662 0.128 Uiso 1 1 calc R . . . .
H83B H 0.6774 0.5059 0.8899 0.128 Uiso 1 1 calc R . . . .
C84 C 0.6303(17) 0.5808(15) 0.9447(11) 0.099(4) Uani 1 1 d . U . . .
H84A H 0.6730 0.6122 0.9420 0.119 Uiso 1 1 calc R . . . .
H84B H 0.6353 0.5490 0.9736 0.119 Uiso 1 1 calc R . . . .
C85 C 0.2389(18) 0.4812(17) 0.3113(12) 0.112(4) Uani 1 1 d . U . . .
H85 H 0.2568 0.5165 0.3340 0.134 Uiso 1 1 calc R . . . .
C86 C 0.239(2) 0.5059(19) 0.2516(12) 0.129(5) Uani 1 1 d . U . . .
H86A H 0.2005 0.5442 0.2457 0.155 Uiso 1 1 calc R . . . .
H86B H 0.2357 0.4661 0.2287 0.155 Uiso 1 1 calc R . . . .
C87 C 0.331(2) 0.535(2) 0.2526(14) 0.138(6) Uani 1 1 d . U . . .
H87A H 0.3431 0.5689 0.2252 0.166 Uiso 1 1 calc R . . . .
H87B H 0.3378 0.5581 0.2844 0.166 Uiso 1 1 calc R . . . .
C88 C 0.375(2) 0.476(2) 0.2470(15) 0.142(6) Uani 1 1 d . U . . .
H88A H 0.4261 0.4901 0.2352 0.170 Uiso 1 1 calc R . . . .
H88B H 0.3561 0.4500 0.2196 0.170 Uiso 1 1 calc R . . . .
C89 C 0.382(2) 0.429(2) 0.2851(15) 0.142(6) Uani 1 1 d . U . . .
H89A H 0.4065 0.4512 0.3122 0.170 Uiso 1 1 calc R . . . .
H89B H 0.4137 0.3869 0.2736 0.170 Uiso 1 1 calc R . . . .
C90 C 0.2903(19) 0.4075(19) 0.3051(14) 0.133(5) Uani 1 1 d . U . . .
H90A H 0.2705 0.3771 0.2804 0.159 Uiso 1 1 calc R . . . .
H90B H 0.2897 0.3817 0.3370 0.159 Uiso 1 1 calc R . . . .
C92 C 0.1495(7) 0.3181(11) 0.6425(5) 0.135(5) Uani 1 1 d . U . . .
H92A H 0.1325 0.3280 0.6092 0.162 Uiso 1 1 calc R . . . .
H92B H 0.1036 0.3148 0.6658 0.162 Uiso 1 1 calc R . . . .
C93 C 0.1933(10) 0.2470(9) 0.6413(5) 0.147(6) Uani 1 1 d G U . . .
H93A H 0.2323 0.2466 0.6128 0.176 Uiso 1 1 calc R . . . .
H93B H 0.1582 0.2099 0.6356 0.176 Uiso 1 1 calc R . . . .
C94 C 0.2323(11) 0.2281(9) 0.6883(5) 0.149(6) Uani 1 1 d G U . . .
H94A H 0.1929 0.2221 0.7160 0.179 Uiso 1 1 calc R . . . .
H94B H 0.2610 0.1821 0.6832 0.179 Uiso 1 1 calc R . . . .
C95 C 0.2810(9) 0.2769(11) 0.7020(4) 0.145(6) Uani 1 1 d G U . . .
H95A H 0.3230 0.2818 0.6759 0.174 Uiso 1 1 calc R . . . .
H95B H 0.3024 0.2622 0.7332 0.174 Uiso 1 1 calc R . . . .
C96 C 0.2242(11) 0.3610(10) 0.7105(4) 0.136(5) Uani 1 1 d G U . . .
H96A H 0.1834 0.3572 0.7375 0.163 Uiso 1 1 calc R . . . .
H96B H 0.2563 0.3997 0.7181 0.163 Uiso 1 1 calc R . . . .
C91 C 0.1888(9) 0.3747(8) 0.6563(5) 0.114(4) Uani 1 1 d G U . . .
H91 H 0.2311 0.3828 0.6303 0.137 Uiso 1 1 calc R . . . .
C97 C 0.3314(7) 0.3359(8) 0.4798(4) 0.115(4) Uani 1 1 d G U . . .
H97 H 0.3258 0.2897 0.4635 0.138 Uiso 1 1 calc R . . . .
C98 C 0.3373(9) 0.3950(10) 0.4377(5) 0.133(5) Uani 1 1 d G U . . .
H98A H 0.3507 0.4402 0.4515 0.160 Uiso 1 1 calc R . . . .
H98B H 0.2886 0.4026 0.4229 0.160 Uiso 1 1 calc R . . . .
C99 C 0.4024(9) 0.3659(10) 0.3972(4) 0.146(6) Uani 1 1 d G U . . .
H99A H 0.3900 0.3193 0.3851 0.176 Uiso 1 1 calc R . . . .
H99B H 0.4069 0.3989 0.3687 0.176 Uiso 1 1 calc R . . . .
C100 C 0.4777(8) 0.3591(10) 0.4220(5) 0.152(6) Uani 1 1 d G U . . .
H10C H 0.4904 0.4064 0.4326 0.182 Uiso 1 1 calc R . . . .
H10D H 0.5187 0.3413 0.3974 0.182 Uiso 1 1 calc R . . . .
C101 C 0.4737(7) 0.3050(11) 0.4710(6) 0.148(6) Uani 1 1 d G U . . .
H10E H 0.4676 0.2563 0.4601 0.178 Uiso 1 1 calc R . . . .
H10F H 0.5215 0.3054 0.4870 0.178 Uiso 1 1 calc R . . . .
C102 C 0.4061(6) 0.3286(8) 0.5089(5) 0.137(5) Uani 1 1 d G U . . .
H10G H 0.4154 0.3743 0.5236 0.164 Uiso 1 1 calc R . . . .
H10H H 0.4000 0.2931 0.5358 0.164 Uiso 1 1 calc R . . . .
C103 C -0.0394(9) 0.1856(8) 0.5363(7) 0.123(4) Uani 1 1 d . U . . .
H103 H -0.0774 0.2212 0.5244 0.147 Uiso 1 1 calc R . . . .
C104 C -0.0191(8) 0.1385(8) 0.4916(6) 0.135(5) Uani 1 1 d G U . . .
H10I H 0.0209 0.1029 0.4998 0.161 Uiso 1 1 calc R . . . .
H10J H 0.0023 0.1677 0.4639 0.161 Uiso 1 1 calc R . . . .
C105 C -0.0853(8) 0.0999(12) 0.4742(6) 0.143(6) Uani 1 1 d G U . . .
H10K H -0.1222 0.1354 0.4617 0.171 Uiso 1 1 calc R . . . .
H10L H -0.0659 0.0693 0.4460 0.171 Uiso 1 1 calc R . . . .
C106 C -0.1227(9) 0.0591(9) 0.5099(9) 0.146(6) Uani 1 1 d G U . . .
H10M H -0.0880 0.0211 0.5215 0.175 Uiso 1 1 calc R . . . .
H10N H -0.1658 0.0373 0.4964 0.175 Uiso 1 1 calc R . . . .
C107 C -0.1567(8) 0.1190(9) 0.5611(7) 0.143(6) Uani 1 1 d G U . . .
H10O H -0.1933 0.1560 0.5501 0.172 Uiso 1 1 calc R . . . .
H10P H -0.1812 0.0928 0.5893 0.172 Uiso 1 1 calc R . . . .
C108 C -0.0786(9) 0.1540(11) 0.5764(6) 0.136(5) Uani 1 1 d G U . . .
H10Q H -0.0923 0.1897 0.6025 0.163 Uiso 1 1 calc R . . . .
H10R H -0.0454 0.1166 0.5903 0.163 Uiso 1 1 calc R . . . .
P1 P 0.4978(9) 0.0936(19) 0.4081(13) 0.048(2) Uani 0.125(10) 1 d G U . . .
C109 C 0.5916 0.1221 0.4249 0.054 Uani 0.1245 1 d . U . . .
C110 C 0.6395 0.0728 0.4479 0.050 Uani 0.1245 1 d . U . . .
H110 H 0.6247 0.0260 0.4539 0.060 Uiso 0.125(10) 1 calc R . . . .
C111 C 0.7092 0.0930 0.4620 0.042 Uani 0.1245 1 d . U . . .
H111 H 0.7415 0.0599 0.4777 0.051 Uiso 0.125(10) 1 calc R . . . .
C112 C 0.7309 0.1619 0.4529 0.063 Uani 0.1245 1 d . U . . .
H112 H 0.7782 0.1754 0.4623 0.076 Uiso 0.125(10) 1 calc R . . . .
C113 C 0.6834 0.2112 0.4301 0.061 Uani 0.1245 1 d . U . . .
H113 H 0.6986 0.2579 0.4240 0.074 Uiso 0.125(10) 1 calc R . . . .
C114 C 0.6137 0.1918 0.4162 0.080 Uani 0.1245 1 d . U . . .
H114 H 0.5813 0.2254 0.4011 0.096 Uiso 0.125(10) 1 calc R . . . .
C115 C 0.4287 0.1166 0.4590 0.032 Uani 0.1245 1 d . U . . .
C116 C 0.4434 0.1581 0.4996 0.054 Uani 0.1245 1 d . U . . .
H116 H 0.4919 0.1761 0.5012 0.065 Uiso 0.125(10) 1 calc R . . . .
C117 C 0.3856 0.1726 0.5375 0.050 Uani 0.1245 1 d . U . . .
H117 H 0.3951 0.2005 0.5649 0.060 Uiso 0.125(10) 1 calc R . . . .
C118 C 0.3143 0.1460 0.5352 0.066 Uani 0.1245 1 d . U . . .
H118 H 0.2757 0.1557 0.5612 0.079 Uiso 0.125(10) 1 calc R . . . .
C119 C 0.2994 0.1054 0.4949 0.065 Uani 0.1245 1 d . U . . .
H119 H 0.2507 0.0881 0.4933 0.078 Uiso 0.125(10) 1 calc R . . . .
C120 C 0.3564 0.0904 0.4570 0.059 Uani 0.1245 1 d . U . . .
H120 H 0.3464 0.0624 0.4298 0.071 Uiso 0.125(10) 1 calc R . . . .
C121 C 0.4774 0.1486 0.3536 0.054 Uani 0.1245 1 d . U . . .
C122 C 0.4043 0.1805 0.3498 0.062 Uani 0.1245 1 d . U . . .
H122 H 0.3663 0.1782 0.3766 0.074 Uiso 0.125(10) 1 calc R . . . .
C123 C 0.3886 0.2156 0.3056 0.022 Uani 0.1245 1 d . U . . .
H123 H 0.3398 0.2374 0.3028 0.026 Uiso 0.125(10) 1 calc R . . . .
C124 C 0.4439 0.2189 0.2660 0.043 Uani 0.1245 1 d . U . . .
H124 H 0.4323 0.2420 0.2362 0.051 Uiso 0.125(10) 1 calc R . . . .
C125 C 0.5167 0.1880 0.2701 0.059 Uani 0.1245 1 d . U . . .
H125 H 0.5544 0.1910 0.2431 0.070 Uiso 0.125(10) 1 calc R . . . .
C126 C 0.5341 0.1529 0.3138 0.056 Uani 0.1245 1 d . U . . .
H126 H 0.5835 0.1321 0.3166 0.068 Uiso 0.125(10) 1 calc R . . . .
C127 C 0.5012 0.0044 0.3954 0.043 Uani 0.1245 1 d . U . . .
C128 C 0.5087 -0.0215 0.3468 0.054 Uani 0.1245 1 d . U . . .
H128 H 0.5113 0.0103 0.3194 0.065 Uiso 0.125(10) 1 calc R . . . .
C129 C 0.5123 -0.0950 0.3390 0.050 Uani 0.1245 1 d . U . . .
H129 H 0.5177 -0.1129 0.3062 0.060 Uiso 0.125(10) 1 calc R . . . .
C130 C 0.5081 -0.1416 0.3796 0.053 Uani 0.1245 1 d . U . . .
H130 H 0.5105 -0.1910 0.3742 0.063 Uiso 0.125(10) 1 calc R . . . .
C131 C 0.5004 -0.1159 0.4280 0.072 Uani 0.1245 1 d . U . . .
H131 H 0.4980 -0.1478 0.4552 0.086 Uiso 0.125(10) 1 calc R . . . .
C132 C 0.4963 -0.0429 0.4364 0.050 Uani 0.1245 1 d . U . . .
H132 H 0.4902 -0.0253 0.4692 0.060 Uiso 0.125(10) 1 calc R . . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -4.4197 7.2980 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
Ag20 Au1 Ag20 180.0 . 2_677
Ag20 Au1 Au15 63.54(4) 2_677 2_677
Ag20 Au1 Au15 116.46(4) . 2_677
Ag20 Au1 Au19 116.78(4) . .
Ag20 Au1 Au19 116.78(4) 2_677 2_677
Ag20 Au1 Au19 63.22(4) 2_677 .
Ag20 Au1 Au19 63.22(4) . 2_677
Ag20 Au1 Ag15 63.54(4) 2_677 2_677
Ag20 Au1 Ag15 116.46(4) . 2_677
Ag20 Au1 Ag19 63.22(4) 2_677 .
Ag20 Au1 Ag19 116.78(4) . .
Ag20 Au1 Ag19 63.22(4) . 2_677
Ag20 Au1 Ag19 116.78(4) 2_677 2_677
Au19 Au1 Au15 116.64(4) . 2_677
Au19 Au1 Au15 63.36(4) 2_677 2_677
Au19 Au1 Au19 180.0 . 2_677
Au21 Au1 Ag20 117.69(4) . .
Au21 Au1 Ag20 117.69(4) 2_677 2_677
Au21 Au1 Ag20 62.31(4) 2_677 .
Au21 Au1 Ag20 62.31(4) . 2_677
Au21 Au1 Au15 116.31(4) 2_677 2_677
Au21 Au1 Au15 63.69(4) . 2_677
Au21 Au1 Au19 62.73(4) 2_677 2_677
Au21 Au1 Au19 117.27(4) . 2_677
Au21 Au1 Au19 62.73(4) . .
Au21 Au1 Au19 117.27(4) 2_677 .
Au21 Au1 Au21 180.00(5) . 2_677
Ag19 Au1 Ag15 116.64(4) . 2_677
Ag19 Au1 Ag15 63.36(4) 2_677 2_677
Ag19 Au1 Ag19 180.0 . 2_677
Ag21 Au1 Ag20 117.69(4) 2_677 2_677
Ag21 Au1 Ag20 117.69(4) . .
Ag21 Au1 Ag20 62.31(4) . 2_677
Ag21 Au1 Ag20 62.31(4) 2_677 .
Ag21 Au1 Ag15 63.69(4) . 2_677
Ag21 Au1 Ag15 116.31(4) 2_677 2_677
Ag21 Au1 Ag19 62.73(4) . .
Ag21 Au1 Ag19 117.27(4) . 2_677
Ag21 Au1 Ag19 117.27(4) 2_677 .
Ag21 Au1 Ag19 62.73(4) 2_677 2_677
Ag21 Au1 Ag21 180.00(5) . 2_677
Au22 Au2 Au22 180.0 2_566 .
Au23 Au2 Au22 64.36(4) 2_566 .
Au23 Au2 Au22 115.64(4) 2_566 2_566
Au23 Au2 Au22 64.36(4) . 2_566
Au23 Au2 Au22 115.64(4) . .
Au23 Au2 Au23 180.00(3) 2_566 .
Au24 Au2 Au22 63.67(4) 2_566 .
Au24 Au2 Au22 116.33(4) 2_566 2_566
Au24 Au2 Au22 116.32(4) . .
Au24 Au2 Au22 63.67(4) . 2_566
Au24 Au2 Au23 62.16(4) 2_566 .
Au24 Au2 Au23 117.84(4) 2_566 2_566
Au24 Au2 Au23 62.16(4) . 2_566
Au24 Au2 Au23 117.84(4) . .
Au24 Au2 Au24 180.0 2_566 .
Ag22 Au2 Ag22 180.0 2_566 .
Ag23 Au2 Ag22 115.64(4) . .
Ag23 Au2 Ag22 115.64(4) 2_566 2_566
Ag23 Au2 Ag22 64.36(4) 2_566 .
Ag23 Au2 Ag22 64.36(4) . 2_566
Ag23 Au2 Ag23 180.00(3) 2_566 .
Ag24 Au2 Ag22 63.67(4) 2_566 .
Ag24 Au2 Ag22 63.67(4) . 2_566
Ag24 Au2 Ag22 116.32(4) . .
Ag24 Au2 Ag22 116.33(4) 2_566 2_566
Ag24 Au2 Ag23 117.84(4) . .
Ag24 Au2 Ag23 62.16(4) 2_566 .
Ag24 Au2 Ag23 62.16(4) . 2_566
Ag24 Au2 Ag23 117.84(4) 2_566 2_566
Ag24 Au2 Ag24 180.0 2_566 .
Au18 Ag9 Au22 53.83(4) . .
Au24 Ag9 Au18 58.98(5) 2_566 .
Au24 Ag9 Au22 54.77(4) 2_566 .
Ag18 Ag9 Ag22 53.83(4) . .
Ag24 Ag9 Ag18 58.98(5) 2_566 .
Ag24 Ag9 Ag22 54.77(4) 2_566 .
S1 Ag9 Au18 51.64(13) . .
S1 Ag9 Au22 97.85(13) . .
S1 Ag9 Au24 105.40(14) . 2_566
S1 Ag9 Ag18 51.64(13) . .
S1 Ag9 Ag22 97.85(13) . .
S1 Ag9 Ag24 105.40(14) . 2_566
S1 Ag9 S11 164.5(2) . .
S11 Ag9 Au18 141.38(16) . .
S11 Ag9 Au22 90.36(15) . .
S11 Ag9 Au24 90.05(16) . 2_566
S11 Ag9 Ag18 141.38(16) . .
S11 Ag9 Ag22 90.36(15) . .
S11 Ag9 Ag24 90.05(16) . 2_566
Au22 Ag11 Au26 55.22(4) . .
Au23 Ag11 Au22 59.25(4) 2_566 .
Au23 Ag11 Au26 55.89(5) 2_566 .
Ag22 Ag11 Ag26 55.22(4) . .
Ag23 Ag11 Ag22 59.25(4) 2_566 .
Ag23 Ag11 Ag26 55.89(5) 2_566 .
S9 Ag11 Au22 144.21(15) . .
S9 Ag11 Au23 91.18(15) . 2_566
S9 Ag11 Au26 92.50(15) . .
S9 Ag11 Ag22 144.21(15) . .
S9 Ag11 Ag23 91.18(15) . 2_566
S9 Ag11 Ag26 92.50(15) . .
S9 Ag11 S16 161.0(2) . .
S16 Ag11 Au22 53.04(14) . .
S16 Ag11 Au23 107.76(15) . 2_566
S16 Ag11 Au26 98.89(16) . .
S16 Ag11 Ag22 53.04(14) . .
S16 Ag11 Ag23 107.76(15) . 2_566
S16 Ag11 Ag26 98.89(16) . .
Au15 Ag12 Au17 54.34(4) . 2_677
Au19 Ag12 Au15 57.33(4) . .
Au19 Ag12 Au17 55.16(4) . 2_677
Ag15 Ag12 Ag17 54.34(4) . 2_677
Ag19 Ag12 Ag15 57.33(4) . .
Ag19 Ag12 Ag17 55.16(4) . 2_677
S2 Ag12 Au15 144.74(17) . .
S2 Ag12 Au17 91.97(16) . 2_677
S2 Ag12 Au19 96.73(15) . .
S2 Ag12 Ag15 144.74(17) . .
S2 Ag12 Ag17 91.97(16) . 2_677
S2 Ag12 Ag19 96.73(15) . .
S2 Ag12 S13 160.6(2) . .
S13 Ag12 Au15 50.59(13) . .
S13 Ag12 Au17 97.40(15) . 2_677
S13 Ag12 Au19 102.54(15) . .
S13 Ag12 Ag15 50.59(13) . .
S13 Ag12 Ag17 97.40(15) . 2_677
S13 Ag12 Ag19 102.54(15) . .
Au25 Ag14 Au18 55.61(5) . 2_566
Au25 Ag14 Au26 57.87(5) . .
Au26 Ag14 Au18 54.44(5) . 2_566
Ag25 Ag14 Ag18 55.61(5) . 2_566
Ag25 Ag14 Ag26 57.87(5) . .
Ag26 Ag14 Ag18 54.44(5) . 2_566
S10 Ag14 Au18 95.27(17) . 2_566
S10 Ag14 Au25 94.44(15) . .
S10 Ag14 Au26 146.38(16) . .
S10 Ag14 Ag18 95.27(17) . 2_566
S10 Ag14 Ag25 94.44(15) . .
S10 Ag14 Ag26 146.38(16) . .
S10 Ag14 S18 161.0(2) . .
S18 Ag14 Au18 95.06(19) . 2_566
S18 Ag14 Au25 104.60(18) . .
S18 Ag14 Au26 50.44(16) . .
S18 Ag14 Ag18 95.06(19) . 2_566
S18 Ag14 Ag25 104.60(18) . .
S18 Ag14 Ag26 50.44(16) . .
Au1 Ag20 Au10 113.21(5) . 2_677
Au1 Ag20 Au15 58.53(3) . .
Au1 Ag20 Au16 58.56(3) . 2_677
Au1 Ag20 Au19 58.41(3) . 2_677
Au1 Ag20 Au21 58.81(3) . 2_677
Au1 Ag20 Ag10 113.21(5) . 2_677
Au1 Ag20 Ag15 58.53(3) . .
Au1 Ag20 Ag16 58.56(3) . 2_677
Au1 Ag20 Ag19 58.41(3) . 2_677
Au1 Ag20 Ag21 58.81(3) . 2_677
Au15 Ag20 Au10 113.77(6) . 2_677
Au16 Ag20 Au10 66.11(5) 2_677 2_677
Au16 Ag20 Au15 108.19(5) 2_677 .
Au19 Ag20 Au10 119.23(7) 2_677 2_677
Au19 Ag20 Au15 108.46(5) 2_677 .
Au19 Ag20 Au16 60.33(4) 2_677 2_677
Au21 Ag20 Au10 171.65(6) 2_677 2_677
Au21 Ag20 Au15 60.81(5) 2_677 .
Au21 Ag20 Au16 108.63(5) 2_677 2_677
Au21 Ag20 Au19 59.96(5) 2_677 2_677
Ag15 Ag20 Ag10 113.77(6) . 2_677
Ag16 Ag20 Ag10 66.11(5) 2_677 2_677
Ag16 Ag20 Ag15 108.19(5) 2_677 .
Ag19 Ag20 Ag10 119.23(7) 2_677 2_677
Ag19 Ag20 Ag15 108.46(5) 2_677 .
Ag19 Ag20 Ag16 60.33(4) 2_677 2_677
Ag21 Ag20 Ag10 171.65(6) 2_677 2_677
Ag21 Ag20 Ag15 60.81(5) 2_677 .
Ag21 Ag20 Ag16 108.63(5) 2_677 2_677
Ag21 Ag20 Ag19 59.96(5) 2_677 2_677
S7 Ag20 Au1 149.62(15) . .
S7 Ag20 Au10 76.38(17) . 2_677
S7 Ag20 Au15 91.10(15) . .
S7 Ag20 Au16 142.12(17) . 2_677
S7 Ag20 Au19 143.96(16) . 2_677
S7 Ag20 Au21 109.23(17) . 2_677
S7 Ag20 Ag10 76.38(17) . 2_677
S7 Ag20 Ag15 91.10(15) . .
S7 Ag20 Ag16 142.12(17) . 2_677
S7 Ag20 Ag19 143.96(16) . 2_677
S7 Ag20 Ag21 109.23(17) . 2_677
Au16 Au3 Ag20 54.96(4) . 2_677
Au16 Au3 Au19 56.75(4) . .
Au19 Au3 Ag20 54.38(4) . 2_677
S3 Au3 Ag20 105.52(14) . 2_677
S3 Au3 Au16 90.71(13) . .
S3 Au3 Au19 51.76(13) . .
S6 Au3 Ag20 83.01(14) . 2_677
S6 Au3 Au16 97.84(14) . .
S6 Au3 Au19 137.22(15) . .
S6 Au3 S3 170.45(19) . .
Ag20 Au4 Au21 52.84(4) . 2_677
Au15 Au4 Ag20 55.49(4) . .
Au15 Au4 Au21 55.52(4) . 2_677
S7 Au4 Ag20 49.40(12) . .
S7 Au4 Au15 89.61(13) . .
S7 Au4 Au21 100.96(14) . 2_677
S14 Au4 Ag20 140.22(16) . .
S14 Au4 Au15 99.45(14) . .
S14 Au4 Au21 87.93(16) . 2_677
S14 Au4 S7 169.91(19) . .
Au18 Au5 Au23 55.69(4) 2_566 .
Au18 Au5 Au25 55.77(4) 2_566 .
Au25 Au5 Au23 54.68(4) . .
S10 Au5 Au18 99.58(15) . 2_566
S10 Au5 Au23 144.52(16) . .
S10 Au5 Au25 91.03(16) . .
S10 Au5 S15 164.2(2) . .
S15 Au5 Au18 94.49(17) . 2_566
S15 Au5 Au23 50.89(14) . .
S15 Au5 Au25 102.83(14) . .
Au23 Au6 Au24 53.43(4) 2_566 .
Au26 Au6 Au23 56.41(4) . 2_566
Au26 Au6 Au24 56.09(4) . .
S5 Au6 Au23 102.51(12) . 2_566
S5 Au6 Au24 50.14(11) . .
S5 Au6 Au26 89.53(14) . .
S9 Au6 Au23 87.02(14) . 2_566
S9 Au6 Au24 140.12(14) . .
S9 Au6 Au26 100.28(15) . .
S9 Au6 S5 169.09(18) . .
Au17 Au7 Au19 55.68(4) 2_677 .
Au17 Au7 Au21 55.55(4) 2_677 .
Au21 Au7 Au19 52.92(4) . .
S2 Au7 Au17 101.18(14) . 2_677
S2 Au7 Au19 90.04(16) . .
S2 Au7 Au21 142.47(16) . .
S2 Au7 S4 168.2(2) . .
S4 Au7 Au17 89.15(14) . 2_677
S4 Au7 Au19 100.61(15) . .
S4 Au7 Au21 48.92(14) . .
Au22 Au8 Au24 56.54(4) . 2_566
Au22 Au8 Au25 56.77(4) . .
Au25 Au8 Au24 54.51(4) . 2_566
S11 Au8 Au22 100.86(15) . .
S11 Au8 Au24 85.52(15) . 2_566
S11 Au8 Au25 139.90(16) . .
S11 Au8 S17 168.4(2) . .
S17 Au8 Au22 89.53(17) . .
S17 Au8 Au24 104.65(16) . 2_566
S17 Au8 Au25 50.87(16) . .
Ag20 Au10 Au16 56.55(4) 2_677 .
Ag20 Au10 Au17 58.73(4) 2_677 .
Au17 Au10 Au16 55.22(4) . .
S6 Au10 Ag20 89.01(14) . 2_677
S6 Au10 Au16 93.10(14) . .
S6 Au10 Au17 142.98(14) . .
S8 Au10 Ag20 107.97(14) . 2_677
S8 Au10 Au16 95.47(14) . .
S8 Au10 Au17 52.22(12) . .
S8 Au10 S6 163.0(2) . .
Au21 Au13 Au16 58.94(5) 2_677 .
S12 Au13 Au16 50.95(14) . .
S12 Au13 Au21 102.94(16) . 2_677
S14 Au13 Au16 142.29(18) . .
S14 Au13 Au21 94.17(16) . 2_677
S14 Au13 S12 162.8(2) . .
Au1 Au15 Ag12 109.71(5) . .
Au1 Au15 Ag20 57.93(3) . .
Au1 Au15 Au4 113.41(5) . .
Au1 Au15 Au16 58.19(3) . .
Au1 Au15 Au17 58.22(4) . 2_677
Au1 Au15 Au19 58.05(3) . .
Au1 Au15 Au21 57.83(3) . 2_677
Ag20 Au15 Ag12 122.36(7) . .
Ag20 Au15 Au4 64.91(4) . .
Ag20 Au15 Au16 107.40(5) . .
Ag20 Au15 Au17 60.17(4) . 2_677
Ag20 Au15 Au21 58.57(4) . 2_677
Au4 Au15 Ag12 128.85(6) . .
Au16 Au15 Ag12 108.45(5) . .
Au16 Au15 Au4 116.96(5) . .
Au16 Au15 Au17 107.92(5) . 2_677
Au17 Au15 Ag12 66.61(5) 2_677 .
Au17 Au15 Au4 116.49(5) 2_677 .
Au19 Au15 Ag12 58.15(5) . .
Au19 Au15 Ag20 107.66(5) . .
Au19 Au15 Au4 171.45(6) . .
Au19 Au15 Au16 59.99(4) . .
Au19 Au15 Au17 59.86(4) . 2_677
Au19 Au15 Au21 107.88(5) . 2_677
Au21 Au15 Ag12 166.02(6) 2_677 .
Au21 Au15 Au4 65.01(4) 2_677 .
Au21 Au15 Au16 60.55(4) 2_677 .
Au21 Au15 Au17 107.09(5) 2_677 2_677
S13 Au15 Au1 158.84(15) . .
S13 Au15 Ag12 49.26(14) . .
S13 Au15 Ag20 131.22(16) . .
S13 Au15 Au4 86.32(14) . .
S13 Au15 Au16 120.91(17) . .
S13 Au15 Au17 107.07(17) . 2_677
S13 Au15 Au19 102.09(14) . .
S13 Au15 Au21 142.60(16) . 2_677
Au1 Au16 Ag20 57.97(3) . 2_677
Au1 Au16 Au3 111.78(5) . .
Au1 Au16 Au10 105.51(5) . .
Au1 Au16 Au13 109.96(5) . .
Au1 Au16 Au15 58.20(4) . .
Au1 Au16 Au17 58.90(4) . .
Au1 Au16 Au19 57.94(4) . .
Au1 Au16 Au21 57.49(3) . 2_677
Ag20 Au16 Au3 65.77(4) 2_677 .
Ag20 Au16 Au10 57.33(5) 2_677 .
Ag20 Au16 Au13 164.84(6) 2_677 .
Ag20 Au16 Au15 107.42(5) 2_677 .
Ag20 Au16 Au19 59.51(4) 2_677 .
Ag20 Au16 Au21 107.33(5) 2_677 2_677
Au3 Au16 Au10 68.82(4) . .
Au3 Au16 Au13 129.40(6) . .
Au13 Au16 Au10 124.30(7) . .
Au15 Au16 Au3 112.69(5) . .
Au15 Au16 Au10 163.47(6) . .
Au15 Au16 Au13 68.46(5) . .
Au15 Au16 Au21 59.61(4) . 2_677
Au17 Au16 Ag20 60.84(4) . 2_677
Au17 Au16 Au3 119.68(5) . .
Au17 Au16 Au10 60.08(4) . .
Au17 Au16 Au13 105.79(6) . .
Au17 Au16 Au15 108.28(5) . .
Au17 Au16 Au19 108.50(6) . .
Au17 Au16 Au21 59.72(4) . 2_677
Au19 Au16 Au3 62.01(4) . .
Au19 Au16 Au10 110.80(6) . .
Au19 Au16 Au13 124.20(6) . .
Au19 Au16 Au15 59.68(4) . .
Au19 Au16 Au21 106.89(5) . 2_677
Au21 Au16 Au3 168.65(6) 2_677 .
Au21 Au16 Au10 115.93(6) 2_677 .
Au21 Au16 Au13 57.71(5) 2_677 .
S12 Au16 Au1 158.33(14) . .
S12 Au16 Ag20 139.85(15) . 2_677
S12 Au16 Au3 89.62(14) . .
S12 Au16 Au10 84.90(15) . .
S12 Au16 Au13 49.90(14) . .
S12 Au16 Au15 111.36(15) . .
S12 Au16 Au17 114.20(16) . .
S12 Au16 Au19 136.61(16) . .
S12 Au16 Au21 100.92(15) . 2_677
Au1 Au17 Ag12 103.47(5) . 2_677
Au1 Au17 Ag20 57.44(3) . 2_677
Au1 Au17 Au7 113.93(4) . 2_677
Au1 Au17 Au10 108.69(5) . .
Au1 Au17 Au15 57.71(3) . 2_677
Au1 Au17 Au16 58.37(3) . .
Au1 Au17 Au19 57.68(3) . 2_677
Au1 Au17 Au21 57.77(3) . 2_677
Ag20 Au17 Ag12 114.54(6) 2_677 2_677
Ag20 Au17 Au7 171.33(6) 2_677 2_677
Ag20 Au17 Au10 58.58(5) 2_677 .
Ag20 Au17 Au15 59.25(4) 2_677 2_677
Au7 Au17 Ag12 64.96(5) 2_677 2_677
Au7 Au17 Au10 129.03(6) 2_677 .
Au10 Au17 Ag12 129.42(6) . 2_677
Au15 Au17 Ag12 59.05(5) 2_677 2_677
Au15 Au17 Au7 116.53(6) 2_677 2_677
Au15 Au17 Au10 109.20(6) 2_677 .
Au16 Au17 Ag12 161.65(6) . 2_677
Au16 Au17 Ag20 59.80(4) . 2_677
Au16 Au17 Au7 117.71(6) . 2_677
Au16 Au17 Au10 64.70(5) . .
Au16 Au17 Au15 107.48(5) . 2_677
Au16 Au17 Au19 107.82(5) . 2_677
Au16 Au17 Au21 60.97(4) . 2_677
Au19 Au17 Ag12 55.41(5) 2_677 2_677
Au19 Au17 Ag20 106.46(5) 2_677 2_677
Au19 Au17 Au7 65.77(4) 2_677 2_677
Au19 Au17 Au10 164.98(6) 2_677 .
Au19 Au17 Au15 59.28(4) 2_677 2_677
Au21 Au17 Ag12 108.67(5) 2_677 2_677
Au21 Au17 Ag20 107.49(5) 2_677 2_677
Au21 Au17 Au7 65.60(4) 2_677 2_677
Au21 Au17 Au10 121.34(6) 2_677 .
Au21 Au17 Au15 106.53(5) 2_677 2_677
Au21 Au17 Au19 58.95(4) 2_677 2_677
S8 Au17 Au1 157.65(14) . .
S8 Au17 Ag12 96.91(15) . 2_677
S8 Au17 Ag20 105.61(15) . 2_677
S8 Au17 Au7 82.94(15) . 2_677
S8 Au17 Au10 49.86(14) . .
S8 Au17 Au15 129.49(16) . 2_677
S8 Au17 Au16 101.43(15) . .
S8 Au17 Au19 144.38(14) . 2_677
S8 Au17 Au21 123.69(17) . 2_677
Au2 Au18 Ag9 110.07(5) . .
Au2 Au18 Ag14 105.71(5) . 2_566
Au2 Au18 Au5 110.73(4) . 2_566
Au2 Au18 Au22 58.07(4) . .
Au2 Au18 Au23 58.18(3) . 2_566
Au2 Au18 Au24 57.66(3) . 2_566
Au2 Au18 Au25 58.42(4) . 2_566
Au2 Au18 Au26 58.54(3) . 2_566
Ag9 Au18 Ag14 124.60(6) . 2_566
Ag9 Au18 Au5 132.35(6) . 2_566
Au5 Au18 Ag14 64.52(5) 2_566 2_566
Au22 Au18 Ag9 68.21(5) . .
Au22 Au18 Ag14 163.53(7) . 2_566
Au22 Au18 Au5 116.26(5) . 2_566
Au22 Au18 Au24 59.51(4) . 2_566
Au23 Au18 Ag9 124.62(6) 2_566 .
Au23 Au18 Ag14 109.94(6) 2_566 2_566
Au23 Au18 Au5 62.77(4) 2_566 2_566
Au23 Au18 Au22 60.61(4) 2_566 .
Au23 Au18 Au24 107.68(5) 2_566 2_566
Au24 Au18 Ag9 57.87(5) 2_566 .
Au24 Au18 Ag14 116.11(6) 2_566 2_566
Au24 Au18 Au5 168.39(6) 2_566 2_566
Au25 Au18 Ag9 165.51(6) 2_566 .
Au25 Au18 Ag14 57.04(5) 2_566 2_566
Au25 Au18 Au5 62.12(4) 2_566 2_566
Au25 Au18 Au22 107.80(5) 2_566 .
Au25 Au18 Au23 59.04(4) 2_566 2_566
Au25 Au18 Au24 107.82(5) 2_566 2_566
Au25 Au18 Au26 60.71(4) 2_566 2_566
Au26 Au18 Ag9 106.46(6) 2_566 .
Au26 Au18 Ag14 60.49(5) 2_566 2_566
Au26 Au18 Au5 115.27(6) 2_566 2_566
Au26 Au18 Au22 107.85(5) 2_566 .
Au26 Au18 Au23 107.91(5) 2_566 2_566
Au26 Au18 Au24 59.73(5) 2_566 2_566
S1 Au18 Au2 159.39(14) . .
S1 Au18 Ag9 49.58(13) . .
S1 Au18 Ag14 87.62(15) . 2_566
S1 Au18 Au5 89.06(14) . 2_566
S1 Au18 Au22 108.73(14) . .
S1 Au18 Au23 132.43(15) . 2_566
S1 Au18 Au24 102.53(14) . 2_566
S1 Au18 Au25 140.83(14) . 2_566
S1 Au18 Au26 118.98(15) . 2_566
Au1 Au19 Ag12 115.79(5) . .
Au1 Au19 Ag20 58.37(3) . 2_677
Au1 Au19 Au3 111.57(5) . .
Au1 Au19 Au7 108.73(5) . .
Au1 Au19 Au15 58.60(3) . .
Au1 Au19 Au16 58.48(3) . .
Au1 Au19 Au17 58.75(3) . 2_677
Au1 Au19 Au21 58.58(3) . .
Ag12 Au19 Au3 115.80(6) . .
Ag12 Au19 Au7 67.32(5) . .
Ag20 Au19 Ag12 172.96(6) 2_677 .
Ag20 Au19 Au3 65.69(4) 2_677 .
Ag20 Au19 Au7 117.42(6) 2_677 .
Ag20 Au19 Au15 108.45(5) 2_677 .
Ag20 Au19 Au16 60.16(4) 2_677 .
Ag20 Au19 Au17 108.02(5) 2_677 2_677
Au3 Au19 Au7 130.97(5) . .
Au15 Au19 Ag12 64.52(5) . .
Au15 Au19 Au3 112.58(6) . .
Au15 Au19 Au7 111.70(5) . .
Au15 Au19 Au16 60.33(4) . .
Au15 Au19 Au17 60.85(4) . 2_677
Au16 Au19 Ag12 113.95(6) . .
Au16 Au19 Au3 61.24(4) . .
Au16 Au19 Au7 166.87(5) . .
Au16 Au19 Au17 108.97(5) . 2_677
Au17 Au19 Ag12 69.44(5) 2_677 .
Au17 Au19 Au3 169.90(6) 2_677 .
Au17 Au19 Au7 58.56(4) 2_677 .
Au21 Au19 Ag12 122.19(7) . .
Au21 Au19 Ag20 59.35(5) . 2_677
Au21 Au19 Au3 118.63(5) . .
Au21 Au19 Au7 63.28(5) . .
Au21 Au19 Au15 108.85(5) . .
Au21 Au19 Au16 108.01(5) . .
Au21 Au19 Au17 60.28(4) . 2_677
S3 Au19 Au1 150.16(15) . .
S3 Au19 Ag12 68.95(14) . .
S3 Au19 Ag20 113.88(14) . 2_677
S3 Au19 Au3 48.89(14) . .
S3 Au19 Au7 100.25(15) . .
S3 Au19 Au15 104.26(15) . .
S3 Au19 Au16 92.13(15) . .
S3 Au19 Au17 138.10(14) . 2_677
S3 Au19 Au21 146.57(15) . .
Au1 Au21 Ag20 58.88(3) . 2_677
Au1 Au21 Au4 109.27(5) . 2_677
Au1 Au21 Au7 109.22(5) . .
Au1 Au21 Au13 115.61(6) . 2_677
Au1 Au21 Au15 58.48(3) . 2_677
Au1 Au21 Au16 58.14(3) . 2_677
Au1 Au21 Au17 58.95(3) . 2_677
Au1 Au21 Au19 58.69(4) . .
Ag20 Au21 Au4 63.46(4) 2_677 2_677
Ag20 Au21 Au7 119.10(6) 2_677 .
Ag20 Au21 Au13 124.44(7) 2_677 2_677
Ag20 Au21 Au15 60.63(5) 2_677 2_677
Ag20 Au21 Au16 108.47(5) 2_677 2_677
Ag20 Au21 Au17 109.48(6) 2_677 2_677
Ag20 Au21 Au19 60.70(5) 2_677 .
Au4 Au21 Au7 133.39(5) 2_677 .
Au13 Au21 Au4 69.71(5) 2_677 2_677
Au13 Au21 Au7 114.37(7) 2_677 .
Au13 Au21 Au15 70.84(6) 2_677 2_677
Au13 Au21 Au16 63.35(5) 2_677 2_677
Au13 Au21 Au17 109.94(6) 2_677 2_677
Au15 Au21 Au4 59.47(4) 2_677 2_677
Au15 Au21 Au7 166.76(5) 2_677 .
Au15 Au21 Au16 59.84(4) 2_677 2_677
Au16 Au21 Au4 111.63(5) 2_677 2_677
Au16 Au21 Au7 110.55(5) 2_677 .
Au17 Au21 Au4 167.36(6) 2_677 2_677
Au17 Au21 Au7 58.86(4) 2_677 .
Au17 Au21 Au15 108.12(5) 2_677 2_677
Au17 Au21 Au16 59.30(4) 2_677 2_677
Au19 Au21 Au4 118.78(5) . 2_677
Au19 Au21 Au7 63.80(5) . .
Au19 Au21 Au13 170.45(6) . 2_677
Au19 Au21 Au15 108.90(6) . 2_677
Au19 Au21 Au16 107.94(5) . 2_677
Au19 Au21 Au17 60.77(4) . 2_677
S4 Au21 Au1 149.65(14) . .
S4 Au21 Ag20 144.32(15) . 2_677
S4 Au21 Au4 100.81(14) . 2_677
S4 Au21 Au7 47.49(15) . .
S4 Au21 Au13 70.93(16) . 2_677
S4 Au21 Au15 141.24(17) . 2_677
S4 Au21 Au16 107.12(15) . 2_677
S4 Au21 Au17 90.73(14) . 2_677
S4 Au21 Au19 109.86(16) . .
Au2 Au22 Ag9 102.27(5) . .
Au2 Au22 Ag11 110.65(5) . .
Au2 Au22 Au8 112.36(5) . .
Au2 Au22 Au18 58.11(4) . .
Au2 Au22 Au23 57.78(4) . 2_566
Au2 Au22 Au24 58.10(3) . 2_566
Au2 Au22 Au25 58.26(4) . .
Au2 Au22 Au26 58.44(4) . .
Ag11 Au22 Ag9 128.09(6) . .
Au8 Au22 Ag9 66.77(5) . .
Au8 Au22 Ag11 128.59(6) . .
Au18 Au22 Ag9 57.96(4) . .
Au18 Au22 Ag11 108.88(6) . .
Au18 Au22 Au8 117.10(5) . .
Au18 Au22 Au23 59.46(4) . 2_566
Au23 Au22 Ag9 114.04(6) 2_566 .
Au23 Au22 Ag11 59.42(5) 2_566 .
Au23 Au22 Au8 170.12(6) 2_566 .
Au24 Au22 Ag9 54.75(4) 2_566 .
Au24 Au22 Ag11 167.11(7) 2_566 .
Au24 Au22 Au8 64.22(4) 2_566 .
Au24 Au22 Au18 60.68(4) 2_566 .
Au24 Au22 Au23 107.69(5) 2_566 2_566
Au24 Au22 Au26 107.67(5) 2_566 .
Au25 Au22 Ag9 108.75(5) . .
Au25 Au22 Ag11 122.48(6) . .
Au25 Au22 Au8 63.58(5) . .
Au25 Au22 Au18 107.77(5) . .
Au25 Au22 Au23 107.80(5) . 2_566
Au25 Au22 Au24 58.99(4) . 2_566
Au25 Au22 Au26 60.45(4) . .
Au26 Au22 Ag9 160.53(6) . .
Au26 Au22 Ag11 66.94(5) . .
Au26 Au22 Au8 115.78(6) . .
Au26 Au22 Au18 107.84(5) . .
Au26 Au22 Au23 59.92(4) . 2_566
S16 Au22 Au2 161.05(15) . .
S16 Au22 Ag9 92.68(14) . .
S16 Au22 Ag11 50.41(14) . .
S16 Au22 Au8 84.12(16) . .
S16 Au22 Au18 123.88(18) . .
S16 Au22 Au23 105.52(16) . 2_566
S16 Au22 Au24 140.76(15) . 2_566
S16 Au22 Au25 127.60(18) . .
S16 Au22 Au26 106.73(14) . .
Au2 Au23 Ag11 112.41(6) . 2_566
Au2 Au23 Au5 109.83(5) . .
Au2 Au23 Au6 109.05(5) . 2_566
Au2 Au23 Au18 58.32(3) . 2_566
Au2 Au23 Au22 57.86(3) . 2_566
Au2 Au23 Au24 58.90(3) . 2_566
Au2 Au23 Au25 58.89(4) . .
Au2 Au23 Au26 58.34(3) . 2_566
Ag11 Au23 Au5 120.12(6) 2_566 .
Ag11 Au23 Au6 68.81(5) 2_566 2_566
Au5 Au23 Au6 130.78(5) . 2_566
Au18 Au23 Ag11 110.83(6) 2_566 2_566
Au18 Au23 Au5 61.54(4) 2_566 .
Au18 Au23 Au6 166.78(6) 2_566 2_566
Au18 Au23 Au22 59.93(4) 2_566 2_566
Au18 Au23 Au26 107.94(5) 2_566 2_566
Au22 Au23 Ag11 61.33(5) 2_566 2_566
Au22 Au23 Au5 114.59(5) 2_566 .
Au22 Au23 Au6 111.19(5) 2_566 2_566
Au24 Au23 Ag11 121.90(7) 2_566 2_566
Au24 Au23 Au5 115.70(6) 2_566 .
Au24 Au23 Au6 63.46(4) 2_566 2_566
Au24 Au23 Au18 108.48(5) 2_566 2_566
Au24 Au23 Au22 108.20(6) 2_566 2_566
Au24 Au23 Au25 60.28(5) 2_566 .
Au24 Au23 Au26 60.61(5) 2_566 2_566
Au25 Au23 Ag11 169.51(6) . 2_566
Au25 Au23 Au5 62.04(5) . .
Au25 Au23 Au6 118.41(6) . 2_566
Au25 Au23 Au18 60.26(4) . 2_566
Au25 Au23 Au22 108.22(5) . 2_566
Au25 Au23 Au26 108.69(6) . 2_566
Au26 Au23 Ag11 67.54(5) 2_566 2_566
Au26 Au23 Au5 168.12(5) 2_566 .
Au26 Au23 Au6 59.25(4) 2_566 2_566
Au26 Au23 Au22 59.56(4) 2_566 2_566
S15 Au23 Au2 154.97(14) . .
S15 Au23 Ag11 78.63(18) . 2_566
S15 Au23 Au5 47.92(15) . .
S15 Au23 Au6 95.83(14) . 2_566
S15 Au23 Au18 97.03(14) . 2_566
S15 Au23 Au22 115.99(18) . 2_566
S15 Au23 Au24 135.64(18) . 2_566
S15 Au23 Au25 107.06(17) . .
S15 Au23 Au26 143.21(16) . 2_566
Au2 Au24 Ag9 114.97(5) . 2_566
Au2 Au24 Au6 108.81(5) . .
Au2 Au24 Au8 108.30(5) . 2_566
Au2 Au24 Au18 57.84(3) . 2_566
Au2 Au24 Au22 58.23(3) . 2_566
Au2 Au24 Au23 58.94(3) . 2_566
Au2 Au24 Au25 58.82(3) . 2_566
Au2 Au24 Au26 58.48(3) . .
Ag9 Au24 Au6 116.06(6) 2_566 .
Ag9 Au24 Au8 70.79(5) 2_566 2_566
Ag9 Au24 Au18 63.15(5) 2_566 2_566
Ag9 Au24 Au22 70.47(5) 2_566 2_566
Ag9 Au24 Au26 110.43(6) 2_566 .
Au8 Au24 Au6 133.26(5) 2_566 .
Au18 Au24 Au6 111.36(6) 2_566 .
Au18 Au24 Au8 112.04(5) 2_566 2_566
Au22 Au24 Au6 166.52(6) 2_566 .
Au22 Au24 Au8 59.25(4) 2_566 2_566
Au22 Au24 Au18 59.81(4) 2_566 2_566
Au22 Au24 Au26 107.82(5) 2_566 .
Au23 Au24 Ag9 170.94(7) 2_566 2_566
Au23 Au24 Au6 63.11(4) 2_566 .
Au23 Au24 Au8 116.79(6) 2_566 2_566
Au23 Au24 Au18 108.28(5) 2_566 2_566
Au23 Au24 Au22 108.44(5) 2_566 2_566
Au23 Au24 Au25 60.03(5) 2_566 2_566
Au23 Au24 Au26 60.97(5) 2_566 .
Au25 Au24 Ag9 124.03(6) 2_566 2_566
Au25 Au24 Au6 117.87(6) 2_566 .
Au25 Au24 Au8 62.22(5) 2_566 2_566
Au25 Au24 Au18 108.22(5) 2_566 2_566
Au25 Au24 Au22 60.43(4) 2_566 2_566
Au25 Au24 Au26 108.78(5) 2_566 .
Au26 Au24 Au6 59.23(4) . .
Au26 Au24 Au8 166.38(5) . 2_566
Au26 Au24 Au18 59.41(4) . 2_566
S5 Au24 Au2 148.64(16) . .
S5 Au24 Ag9 71.90(15) . 2_566
S5 Au24 Au6 47.65(14) . .
S5 Au24 Au8 102.84(15) . 2_566
S5 Au24 Au18 106.76(17) . 2_566
S5 Au24 Au22 141.98(15) . 2_566
S5 Au24 Au23 109.58(15) . 2_566
S5 Au24 Au25 144.99(17) . 2_566
S5 Au24 Au26 90.20(15) . .
Au2 Au25 Ag14 114.18(6) . .
Au2 Au25 Au5 110.73(5) . .
Au2 Au25 Au8 109.01(5) . .
Au2 Au25 Au18 58.43(4) . 2_566
Au2 Au25 Au22 58.23(4) . .
Au2 Au25 Au23 58.77(4) . .
Au2 Au25 Au24 58.65(4) . 2_566
Au2 Au25 Au26 58.22(4) . .
Ag14 Au25 Au5 68.07(5) . .
Ag14 Au25 Au8 119.63(7) . .
Au5 Au25 Au8 129.88(5) . .
Au18 Au25 Ag14 67.35(6) 2_566 .
Au18 Au25 Au5 62.11(4) 2_566 .
Au18 Au25 Au8 166.99(6) 2_566 .
Au18 Au25 Au22 107.90(5) 2_566 .
Au18 Au25 Au26 59.81(4) 2_566 .
Au22 Au25 Ag14 113.84(6) . .
Au22 Au25 Au5 168.89(6) . .
Au22 Au25 Au8 59.65(4) . .
Au22 Au25 Au26 59.86(4) . .
Au23 Au25 Ag14 120.40(7) . .
Au23 Au25 Au5 63.28(5) . .
Au23 Au25 Au8 117.44(5) . .
Au23 Au25 Au18 60.70(4) . 2_566
Au23 Au25 Au22 108.29(6) . .
Au23 Au25 Au24 59.69(5) . 2_566
Au23 Au25 Au26 108.50(6) . .
Au24 Au25 Ag14 172.25(7) 2_566 .
Au24 Au25 Au5 116.27(5) 2_566 .
Au24 Au25 Au8 63.28(5) 2_566 .
Au24 Au25 Au18 108.36(6) 2_566 2_566
Au24 Au25 Au22 60.58(4) 2_566 .
Au24 Au25 Au26 108.47(6) 2_566 .
Au26 Au25 Ag14 63.87(5) . .
Au26 Au25 Au5 114.48(5) . .
Au26 Au25 Au8 111.90(6) . .
S17 Au25 Au2 148.00(17) . .
S17 Au25 Ag14 73.60(17) . .
S17 Au25 Au5 101.00(17) . .
S17 Au25 Au8 48.27(17) . .
S17 Au25 Au18 140.85(18) . 2_566
S17 Au25 Au22 89.93(17) . .
S17 Au25 Au23 146.38(17) . .
S17 Au25 Au24 110.75(17) . 2_566
S17 Au25 Au26 105.07(17) . .
Au2 Au26 Ag11 103.27(5) . .
Au2 Au26 Ag14 109.02(5) . .
Au2 Au26 Au6 112.97(5) . .
Au2 Au26 Au18 58.21(3) . 2_566
Au2 Au26 Au22 58.06(3) . .
Au2 Au26 Au23 57.88(3) . 2_566
Au2 Au26 Au24 57.97(3) . .
Au2 Au26 Au25 57.88(3) . .
Ag14 Au26 Ag11 128.08(7) . .
Au6 Au26 Ag11 66.67(5) . .
Au6 Au26 Ag14 129.50(6) . .
Au18 Au26 Ag11 161.45(6) 2_566 .
Au18 Au26 Ag14 65.07(5) 2_566 .
Au18 Au26 Au6 117.29(6) 2_566 .
Au18 Au26 Au22 107.50(5) 2_566 .
Au18 Au26 Au23 107.41(5) 2_566 2_566
Au18 Au26 Au24 60.86(5) 2_566 .
Au18 Au26 Au25 59.48(4) 2_566 .
Au22 Au26 Ag11 57.84(4) . .
Au22 Au26 Ag14 109.03(7) . .
Au22 Au26 Au6 116.35(6) . .
Au22 Au26 Au23 60.52(4) . 2_566
Au22 Au26 Au24 107.22(5) . .
Au22 Au26 Au25 59.69(4) . .
Au23 Au26 Ag11 56.56(5) 2_566 .
Au23 Au26 Ag14 165.82(6) 2_566 .
Au23 Au26 Au6 64.34(4) 2_566 .
Au23 Au26 Au25 107.67(5) 2_566 .
Au24 Au26 Ag11 110.09(6) . .
Au24 Au26 Ag14 121.35(7) . .
Au24 Au26 Au6 64.68(4) . .
Au24 Au26 Au23 58.42(5) . 2_566
Au24 Au26 Au25 107.75(5) . .
Au25 Au26 Ag11 113.47(6) . .
Au25 Au26 Ag14 58.26(5) . .
Au25 Au26 Au6 170.84(6) . .
S18 Au26 Au2 158.51(17) . .
S18 Au26 Ag11 94.84(18) . .
S18 Au26 Ag14 49.75(17) . .
S18 Au26 Au6 84.68(18) . .
S18 Au26 Au18 103.50(18) . 2_566
S18 Au26 Au22 126.4(2) . .
S18 Au26 Au23 143.60(17) . 2_566
S18 Au26 Au24 126.0(2) . .
S18 Au26 Au25 104.32(19) . .
Ag16 Ag3 Ag20 54.96(4) . 2_677
Ag16 Ag3 Ag19 56.75(4) . .
Ag19 Ag3 Ag20 54.38(4) . 2_677
S3 Ag3 Ag20 105.52(14) . 2_677
S3 Ag3 Ag16 90.71(13) . .
S3 Ag3 Ag19 51.76(13) . .
S6 Ag3 Ag20 83.01(14) . 2_677
S6 Ag3 Ag16 97.84(14) . .
S6 Ag3 Ag19 137.22(15) . .
S6 Ag3 S3 170.45(19) . .
Ag20 Ag4 Ag21 52.84(4) . 2_677
Ag15 Ag4 Ag20 55.49(4) . .
Ag15 Ag4 Ag21 55.52(4) . 2_677
S7 Ag4 Ag20 49.40(12) . .
S7 Ag4 Ag15 89.61(13) . .
S7 Ag4 Ag21 100.96(14) . 2_677
S14 Ag4 Ag20 140.22(16) . .
S14 Ag4 Ag15 99.45(14) . .
S14 Ag4 Ag21 87.93(16) . 2_677
S14 Ag4 S7 169.91(19) . .
Ag18 Ag5 Ag23 55.69(4) 2_566 .
Ag18 Ag5 Ag25 55.77(4) 2_566 .
Ag25 Ag5 Ag23 54.68(4) . .
S10 Ag5 Ag18 99.58(15) . 2_566
S10 Ag5 Ag23 144.52(16) . .
S10 Ag5 Ag25 91.03(16) . .
S10 Ag5 S15 164.2(2) . .
S15 Ag5 Ag18 94.49(17) . 2_566
S15 Ag5 Ag23 50.89(14) . .
S15 Ag5 Ag25 102.83(14) . .
Ag23 Ag6 Ag24 53.43(4) 2_566 .
Ag26 Ag6 Ag23 56.41(4) . 2_566
Ag26 Ag6 Ag24 56.09(4) . .
S5 Ag6 Ag23 102.51(12) . 2_566
S5 Ag6 Ag24 50.14(11) . .
S5 Ag6 Ag26 89.53(14) . .
S9 Ag6 Ag23 87.02(14) . 2_566
S9 Ag6 Ag24 140.12(14) . .
S9 Ag6 Ag26 100.28(15) . .
S9 Ag6 S5 169.09(18) . .
Ag17 Ag7 Ag19 55.68(4) 2_677 .
Ag17 Ag7 Ag21 55.55(4) 2_677 .
Ag21 Ag7 Ag19 52.92(4) . .
S2 Ag7 Ag17 101.18(14) . 2_677
S2 Ag7 Ag19 90.04(16) . .
S2 Ag7 Ag21 142.47(16) . .
S2 Ag7 S4 168.2(2) . .
S4 Ag7 Ag17 89.15(14) . 2_677
S4 Ag7 Ag19 100.61(15) . .
S4 Ag7 Ag21 48.92(14) . .
Ag22 Ag8 Ag24 56.54(4) . 2_566
Ag22 Ag8 Ag25 56.77(4) . .
Ag25 Ag8 Ag24 54.51(4) . 2_566
S11 Ag8 Ag22 100.86(15) . .
S11 Ag8 Ag24 85.52(15) . 2_566
S11 Ag8 Ag25 139.90(16) . .
S11 Ag8 S17 168.4(2) . .
S17 Ag8 Ag22 89.53(17) . .
S17 Ag8 Ag24 104.65(16) . 2_566
S17 Ag8 Ag25 50.87(16) . .
Ag20 Ag10 Ag16 56.55(4) 2_677 .
Ag20 Ag10 Ag17 58.73(4) 2_677 .
Ag17 Ag10 Ag16 55.22(4) . .
S6 Ag10 Ag20 89.01(14) . 2_677
S6 Ag10 Ag16 93.10(14) . .
S6 Ag10 Ag17 142.98(14) . .
S8 Ag10 Ag20 107.97(14) . 2_677
S8 Ag10 Ag16 95.47(14) . .
S8 Ag10 Ag17 52.22(12) . .
S8 Ag10 S6 163.0(2) . .
Ag21 Ag13 Ag16 58.94(5) 2_677 .
S12 Ag13 Ag16 50.95(14) . .
S12 Ag13 Ag21 102.94(16) . 2_677
S14 Ag13 Ag16 142.29(18) . .
S14 Ag13 Ag21 94.17(16) . 2_677
S14 Ag13 S12 162.8(2) . .
Au1 Ag15 Ag12 109.71(5) . .
Au1 Ag15 Ag20 57.93(3) . .
Au1 Ag15 Ag4 113.41(5) . .
Au1 Ag15 Ag16 58.19(3) . .
Au1 Ag15 Ag17 58.22(4) . 2_677
Au1 Ag15 Ag19 58.05(3) . .
Au1 Ag15 Ag21 57.83(3) . 2_677
Ag20 Ag15 Ag12 122.36(7) . .
Ag20 Ag15 Ag4 64.91(4) . .
Ag20 Ag15 Ag16 107.40(5) . .
Ag20 Ag15 Ag17 60.17(4) . 2_677
Ag20 Ag15 Ag21 58.57(4) . 2_677
Ag4 Ag15 Ag12 128.85(6) . .
Ag16 Ag15 Ag12 108.45(5) . .
Ag16 Ag15 Ag4 116.96(5) . .
Ag16 Ag15 Ag17 107.92(5) . 2_677
Ag17 Ag15 Ag12 66.61(5) 2_677 .
Ag17 Ag15 Ag4 116.49(5) 2_677 .
Ag19 Ag15 Ag12 58.15(5) . .
Ag19 Ag15 Ag20 107.66(5) . .
Ag19 Ag15 Ag4 171.45(6) . .
Ag19 Ag15 Ag16 59.99(4) . .
Ag19 Ag15 Ag17 59.86(4) . 2_677
Ag19 Ag15 Ag21 107.88(5) . 2_677
Ag21 Ag15 Ag12 166.02(6) 2_677 .
Ag21 Ag15 Ag4 65.01(4) 2_677 .
Ag21 Ag15 Ag16 60.55(4) 2_677 .
Ag21 Ag15 Ag17 107.09(5) 2_677 2_677
S13 Ag15 Au1 158.84(15) . .
S13 Ag15 Ag12 49.26(14) . .
S13 Ag15 Ag20 131.22(16) . .
S13 Ag15 Ag4 86.32(14) . .
S13 Ag15 Ag16 120.91(17) . .
S13 Ag15 Ag17 107.07(17) . 2_677
S13 Ag15 Ag19 102.09(14) . .
S13 Ag15 Ag21 142.60(16) . 2_677
Au1 Ag16 Ag20 57.97(3) . 2_677
Au1 Ag16 Ag3 111.78(5) . .
Au1 Ag16 Ag10 105.51(5) . .
Au1 Ag16 Ag13 109.96(5) . .
Au1 Ag16 Ag15 58.20(4) . .
Au1 Ag16 Ag17 58.90(4) . .
Au1 Ag16 Ag19 57.94(4) . .
Au1 Ag16 Ag21 57.49(3) . 2_677
Ag20 Ag16 Ag3 65.77(4) 2_677 .
Ag20 Ag16 Ag10 57.33(5) 2_677 .
Ag20 Ag16 Ag13 164.84(6) 2_677 .
Ag20 Ag16 Ag15 107.42(5) 2_677 .
Ag20 Ag16 Ag19 59.51(4) 2_677 .
Ag20 Ag16 Ag21 107.33(5) 2_677 2_677
Ag3 Ag16 Ag10 68.82(4) . .
Ag3 Ag16 Ag13 129.40(6) . .
Ag13 Ag16 Ag10 124.30(7) . .
Ag15 Ag16 Ag3 112.69(5) . .
Ag15 Ag16 Ag10 163.47(6) . .
Ag15 Ag16 Ag13 68.46(5) . .
Ag15 Ag16 Ag21 59.61(4) . 2_677
Ag17 Ag16 Ag20 60.84(4) . 2_677
Ag17 Ag16 Ag3 119.68(5) . .
Ag17 Ag16 Ag10 60.08(4) . .
Ag17 Ag16 Ag13 105.79(6) . .
Ag17 Ag16 Ag15 108.28(5) . .
Ag17 Ag16 Ag19 108.50(6) . .
Ag17 Ag16 Ag21 59.72(4) . 2_677
Ag19 Ag16 Ag3 62.01(4) . .
Ag19 Ag16 Ag10 110.80(6) . .
Ag19 Ag16 Ag13 124.20(6) . .
Ag19 Ag16 Ag15 59.68(4) . .
Ag19 Ag16 Ag21 106.89(5) . 2_677
Ag21 Ag16 Ag3 168.65(6) 2_677 .
Ag21 Ag16 Ag10 115.93(6) 2_677 .
Ag21 Ag16 Ag13 57.71(5) 2_677 .
S12 Ag16 Au1 158.33(14) . .
S12 Ag16 Ag20 139.85(15) . 2_677
S12 Ag16 Ag3 89.62(14) . .
S12 Ag16 Ag10 84.90(15) . .
S12 Ag16 Ag13 49.90(14) . .
S12 Ag16 Ag15 111.36(15) . .
S12 Ag16 Ag17 114.20(16) . .
S12 Ag16 Ag19 136.61(16) . .
S12 Ag16 Ag21 100.92(15) . 2_677
Au1 Ag17 Ag12 103.47(5) . 2_677
Au1 Ag17 Ag20 57.44(3) . 2_677
Au1 Ag17 Ag7 113.93(4) . 2_677
Au1 Ag17 Ag10 108.69(5) . .
Au1 Ag17 Ag15 57.71(3) . 2_677
Au1 Ag17 Ag16 58.37(3) . .
Au1 Ag17 Ag19 57.68(3) . 2_677
Au1 Ag17 Ag21 57.77(3) . 2_677
Ag20 Ag17 Ag12 114.54(6) 2_677 2_677
Ag20 Ag17 Ag7 171.33(6) 2_677 2_677
Ag20 Ag17 Ag10 58.58(5) 2_677 .
Ag20 Ag17 Ag15 59.25(4) 2_677 2_677
Ag7 Ag17 Ag12 64.96(5) 2_677 2_677
Ag7 Ag17 Ag10 129.03(6) 2_677 .
Ag10 Ag17 Ag12 129.42(6) . 2_677
Ag15 Ag17 Ag12 59.05(5) 2_677 2_677
Ag15 Ag17 Ag7 116.53(6) 2_677 2_677
Ag15 Ag17 Ag10 109.20(6) 2_677 .
Ag16 Ag17 Ag12 161.65(6) . 2_677
Ag16 Ag17 Ag20 59.80(4) . 2_677
Ag16 Ag17 Ag7 117.71(6) . 2_677
Ag16 Ag17 Ag10 64.70(5) . .
Ag16 Ag17 Ag15 107.48(5) . 2_677
Ag16 Ag17 Ag19 107.82(5) . 2_677
Ag16 Ag17 Ag21 60.97(4) . 2_677
Ag19 Ag17 Ag12 55.41(5) 2_677 2_677
Ag19 Ag17 Ag20 106.46(5) 2_677 2_677
Ag19 Ag17 Ag7 65.77(4) 2_677 2_677
Ag19 Ag17 Ag10 164.98(6) 2_677 .
Ag19 Ag17 Ag15 59.28(4) 2_677 2_677
Ag21 Ag17 Ag12 108.67(5) 2_677 2_677
Ag21 Ag17 Ag20 107.49(5) 2_677 2_677
Ag21 Ag17 Ag7 65.60(4) 2_677 2_677
Ag21 Ag17 Ag10 121.34(6) 2_677 .
Ag21 Ag17 Ag15 106.53(5) 2_677 2_677
Ag21 Ag17 Ag19 58.95(4) 2_677 2_677
S8 Ag17 Au1 157.65(14) . .
S8 Ag17 Ag12 96.91(15) . 2_677
S8 Ag17 Ag20 105.61(15) . 2_677
S8 Ag17 Ag7 82.94(15) . 2_677
S8 Ag17 Ag10 49.86(14) . .
S8 Ag17 Ag15 129.49(16) . 2_677
S8 Ag17 Ag16 101.43(15) . .
S8 Ag17 Ag19 144.38(14) . 2_677
S8 Ag17 Ag21 123.69(17) . 2_677
Au2 Ag18 Ag9 110.07(5) . .
Au2 Ag18 Ag14 105.71(5) . 2_566
Au2 Ag18 Ag5 110.73(4) . 2_566
Au2 Ag18 Ag22 58.07(4) . .
Au2 Ag18 Ag23 58.18(3) . 2_566
Au2 Ag18 Ag24 57.66(3) . 2_566
Au2 Ag18 Ag25 58.42(4) . 2_566
Au2 Ag18 Ag26 58.54(3) . 2_566
Ag9 Ag18 Ag14 124.60(6) . 2_566
Ag9 Ag18 Ag5 132.35(6) . 2_566
Ag5 Ag18 Ag14 64.52(5) 2_566 2_566
Ag22 Ag18 Ag9 68.21(5) . .
Ag22 Ag18 Ag14 163.53(7) . 2_566
Ag22 Ag18 Ag5 116.26(5) . 2_566
Ag22 Ag18 Ag24 59.51(4) . 2_566
Ag23 Ag18 Ag9 124.62(6) 2_566 .
Ag23 Ag18 Ag14 109.94(6) 2_566 2_566
Ag23 Ag18 Ag5 62.77(4) 2_566 2_566
Ag23 Ag18 Ag22 60.61(4) 2_566 .
Ag23 Ag18 Ag24 107.68(5) 2_566 2_566
Ag24 Ag18 Ag9 57.87(5) 2_566 .
Ag24 Ag18 Ag14 116.11(6) 2_566 2_566
Ag24 Ag18 Ag5 168.39(6) 2_566 2_566
Ag25 Ag18 Ag9 165.51(6) 2_566 .
Ag25 Ag18 Ag14 57.04(5) 2_566 2_566
Ag25 Ag18 Ag5 62.12(4) 2_566 2_566
Ag25 Ag18 Ag22 107.80(5) 2_566 .
Ag25 Ag18 Ag23 59.04(4) 2_566 2_566
Ag25 Ag18 Ag24 107.82(5) 2_566 2_566
Ag25 Ag18 Ag26 60.71(4) 2_566 2_566
Ag26 Ag18 Ag9 106.46(6) 2_566 .
Ag26 Ag18 Ag14 60.49(5) 2_566 2_566
Ag26 Ag18 Ag5 115.27(6) 2_566 2_566
Ag26 Ag18 Ag22 107.85(5) 2_566 .
Ag26 Ag18 Ag23 107.91(5) 2_566 2_566
Ag26 Ag18 Ag24 59.73(5) 2_566 2_566
S1 Ag18 Au2 159.39(14) . .
S1 Ag18 Ag9 49.58(13) . .
S1 Ag18 Ag14 87.62(15) . 2_566
S1 Ag18 Ag5 89.06(14) . 2_566
S1 Ag18 Ag22 108.73(14) . .
S1 Ag18 Ag23 132.43(15) . 2_566
S1 Ag18 Ag24 102.53(14) . 2_566
S1 Ag18 Ag25 140.83(14) . 2_566
S1 Ag18 Ag26 118.98(15) . 2_566
Au1 Ag19 Ag12 115.79(5) . .
Au1 Ag19 Ag20 58.37(3) . 2_677
Au1 Ag19 Ag3 111.57(5) . .
Au1 Ag19 Ag7 108.73(5) . .
Au1 Ag19 Ag15 58.60(3) . .
Au1 Ag19 Ag16 58.48(3) . .
Au1 Ag19 Ag17 58.75(3) . 2_677
Au1 Ag19 Ag21 58.58(3) . .
Ag12 Ag19 Ag3 115.80(6) . .
Ag12 Ag19 Ag7 67.32(5) . .
Ag20 Ag19 Ag12 172.96(6) 2_677 .
Ag20 Ag19 Ag3 65.69(4) 2_677 .
Ag20 Ag19 Ag7 117.42(6) 2_677 .
Ag20 Ag19 Ag15 108.45(5) 2_677 .
Ag20 Ag19 Ag16 60.16(4) 2_677 .
Ag20 Ag19 Ag17 108.02(5) 2_677 2_677
Ag3 Ag19 Ag7 130.97(5) . .
Ag15 Ag19 Ag12 64.52(5) . .
Ag15 Ag19 Ag3 112.58(6) . .
Ag15 Ag19 Ag7 111.70(5) . .
Ag15 Ag19 Ag16 60.33(4) . .
Ag15 Ag19 Ag17 60.85(4) . 2_677
Ag16 Ag19 Ag12 113.95(6) . .
Ag16 Ag19 Ag3 61.24(4) . .
Ag16 Ag19 Ag7 166.87(5) . .
Ag16 Ag19 Ag17 108.97(5) . 2_677
Ag17 Ag19 Ag12 69.44(5) 2_677 .
Ag17 Ag19 Ag3 169.90(6) 2_677 .
Ag17 Ag19 Ag7 58.56(4) 2_677 .
Ag21 Ag19 Ag12 122.19(7) . .
Ag21 Ag19 Ag20 59.35(5) . 2_677
Ag21 Ag19 Ag3 118.63(5) . .
Ag21 Ag19 Ag7 63.28(5) . .
Ag21 Ag19 Ag15 108.85(5) . .
Ag21 Ag19 Ag16 108.01(5) . .
Ag21 Ag19 Ag17 60.28(4) . 2_677
S3 Ag19 Au1 150.16(15) . .
S3 Ag19 Ag12 68.95(14) . .
S3 Ag19 Ag20 113.88(14) . 2_677
S3 Ag19 Ag3 48.89(14) . .
S3 Ag19 Ag7 100.25(15) . .
S3 Ag19 Ag15 104.26(15) . .
S3 Ag19 Ag16 92.13(15) . .
S3 Ag19 Ag17 138.10(14) . 2_677
S3 Ag19 Ag21 146.57(15) . .
Au1 Ag21 Ag20 58.88(3) . 2_677
Au1 Ag21 Ag4 109.27(5) . 2_677
Au1 Ag21 Ag7 109.22(5) . .
Au1 Ag21 Ag13 115.61(6) . 2_677
Au1 Ag21 Ag15 58.48(3) . 2_677
Au1 Ag21 Ag16 58.14(3) . 2_677
Au1 Ag21 Ag17 58.95(3) . 2_677
Au1 Ag21 Ag19 58.69(4) . .
Ag20 Ag21 Ag4 63.46(4) 2_677 2_677
Ag20 Ag21 Ag7 119.10(6) 2_677 .
Ag20 Ag21 Ag13 124.44(7) 2_677 2_677
Ag20 Ag21 Ag15 60.63(5) 2_677 2_677
Ag20 Ag21 Ag16 108.47(5) 2_677 2_677
Ag20 Ag21 Ag17 109.48(6) 2_677 2_677
Ag20 Ag21 Ag19 60.70(5) 2_677 .
Ag4 Ag21 Ag7 133.39(5) 2_677 .
Ag13 Ag21 Ag4 69.71(5) 2_677 2_677
Ag13 Ag21 Ag7 114.37(7) 2_677 .
Ag13 Ag21 Ag15 70.84(6) 2_677 2_677
Ag13 Ag21 Ag16 63.35(5) 2_677 2_677
Ag13 Ag21 Ag17 109.94(6) 2_677 2_677
Ag15 Ag21 Ag4 59.47(4) 2_677 2_677
Ag15 Ag21 Ag7 166.76(5) 2_677 .
Ag15 Ag21 Ag16 59.84(4) 2_677 2_677
Ag16 Ag21 Ag4 111.63(5) 2_677 2_677
Ag16 Ag21 Ag7 110.55(5) 2_677 .
Ag17 Ag21 Ag4 167.36(6) 2_677 2_677
Ag17 Ag21 Ag7 58.86(4) 2_677 .
Ag17 Ag21 Ag15 108.12(5) 2_677 2_677
Ag17 Ag21 Ag16 59.30(4) 2_677 2_677
Ag19 Ag21 Ag4 118.78(5) . 2_677
Ag19 Ag21 Ag7 63.80(5) . .
Ag19 Ag21 Ag13 170.45(6) . 2_677
Ag19 Ag21 Ag15 108.90(6) . 2_677
Ag19 Ag21 Ag16 107.94(5) . 2_677
Ag19 Ag21 Ag17 60.77(4) . 2_677
S4 Ag21 Au1 149.65(14) . .
S4 Ag21 Ag20 144.32(15) . 2_677
S4 Ag21 Ag4 100.81(14) . 2_677
S4 Ag21 Ag7 47.49(15) . .
S4 Ag21 Ag13 70.93(16) . 2_677
S4 Ag21 Ag15 141.24(17) . 2_677
S4 Ag21 Ag16 107.12(15) . 2_677
S4 Ag21 Ag17 90.73(14) . 2_677
S4 Ag21 Ag19 109.86(16) . .
Au2 Ag22 Ag9 102.27(5) . .
Au2 Ag22 Ag11 110.65(5) . .
Au2 Ag22 Ag8 112.36(5) . .
Au2 Ag22 Ag18 58.11(4) . .
Au2 Ag22 Ag23 57.78(4) . 2_566
Au2 Ag22 Ag24 58.10(3) . 2_566
Au2 Ag22 Ag25 58.26(4) . .
Au2 Ag22 Ag26 58.44(4) . .
Ag11 Ag22 Ag9 128.09(6) . .
Ag8 Ag22 Ag9 66.77(5) . .
Ag8 Ag22 Ag11 128.59(6) . .
Ag18 Ag22 Ag9 57.96(4) . .
Ag18 Ag22 Ag11 108.88(6) . .
Ag18 Ag22 Ag8 117.10(5) . .
Ag18 Ag22 Ag23 59.46(4) . 2_566
Ag23 Ag22 Ag9 114.04(6) 2_566 .
Ag23 Ag22 Ag11 59.42(5) 2_566 .
Ag23 Ag22 Ag8 170.12(6) 2_566 .
Ag24 Ag22 Ag9 54.75(4) 2_566 .
Ag24 Ag22 Ag11 167.11(7) 2_566 .
Ag24 Ag22 Ag8 64.22(4) 2_566 .
Ag24 Ag22 Ag18 60.68(4) 2_566 .
Ag24 Ag22 Ag23 107.69(5) 2_566 2_566
Ag24 Ag22 Ag26 107.67(5) 2_566 .
Ag25 Ag22 Ag9 108.75(5) . .
Ag25 Ag22 Ag11 122.48(6) . .
Ag25 Ag22 Ag8 63.58(5) . .
Ag25 Ag22 Ag18 107.77(5) . .
Ag25 Ag22 Ag23 107.80(5) . 2_566
Ag25 Ag22 Ag24 58.99(4) . 2_566
Ag25 Ag22 Ag26 60.45(4) . .
Ag26 Ag22 Ag9 160.53(6) . .
Ag26 Ag22 Ag11 66.94(5) . .
Ag26 Ag22 Ag8 115.78(6) . .
Ag26 Ag22 Ag18 107.84(5) . .
Ag26 Ag22 Ag23 59.92(4) . 2_566
S16 Ag22 Au2 161.05(15) . .
S16 Ag22 Ag9 92.68(14) . .
S16 Ag22 Ag11 50.41(14) . .
S16 Ag22 Ag8 84.12(16) . .
S16 Ag22 Ag18 123.88(18) . .
S16 Ag22 Ag23 105.52(16) . 2_566
S16 Ag22 Ag24 140.76(15) . 2_566
S16 Ag22 Ag25 127.60(18) . .
S16 Ag22 Ag26 106.73(14) . .
Au2 Ag23 Ag11 112.41(6) . 2_566
Au2 Ag23 Ag5 109.83(5) . .
Au2 Ag23 Ag6 109.05(5) . 2_566
Au2 Ag23 Ag18 58.32(3) . 2_566
Au2 Ag23 Ag22 57.86(3) . 2_566
Au2 Ag23 Ag24 58.90(3) . 2_566
Au2 Ag23 Ag25 58.89(4) . .
Au2 Ag23 Ag26 58.34(3) . 2_566
Ag11 Ag23 Ag5 120.12(6) 2_566 .
Ag11 Ag23 Ag6 68.81(5) 2_566 2_566
Ag5 Ag23 Ag6 130.78(5) . 2_566
Ag18 Ag23 Ag11 110.83(6) 2_566 2_566
Ag18 Ag23 Ag5 61.54(4) 2_566 .
Ag18 Ag23 Ag6 166.78(6) 2_566 2_566
Ag18 Ag23 Ag22 59.93(4) 2_566 2_566
Ag18 Ag23 Ag26 107.94(5) 2_566 2_566
Ag22 Ag23 Ag11 61.33(5) 2_566 2_566
Ag22 Ag23 Ag5 114.59(5) 2_566 .
Ag22 Ag23 Ag6 111.19(5) 2_566 2_566
Ag24 Ag23 Ag11 121.90(7) 2_566 2_566
Ag24 Ag23 Ag5 115.70(6) 2_566 .
Ag24 Ag23 Ag6 63.46(4) 2_566 2_566
Ag24 Ag23 Ag18 108.48(5) 2_566 2_566
Ag24 Ag23 Ag22 108.20(6) 2_566 2_566
Ag24 Ag23 Ag25 60.28(5) 2_566 .
Ag24 Ag23 Ag26 60.61(5) 2_566 2_566
Ag25 Ag23 Ag11 169.51(6) . 2_566
Ag25 Ag23 Ag5 62.04(5) . .
Ag25 Ag23 Ag6 118.41(6) . 2_566
Ag25 Ag23 Ag18 60.26(4) . 2_566
Ag25 Ag23 Ag22 108.22(5) . 2_566
Ag25 Ag23 Ag26 108.69(6) . 2_566
Ag26 Ag23 Ag11 67.54(5) 2_566 2_566
Ag26 Ag23 Ag5 168.12(5) 2_566 .
Ag26 Ag23 Ag6 59.25(4) 2_566 2_566
Ag26 Ag23 Ag22 59.56(4) 2_566 2_566
S15 Ag23 Au2 154.97(14) . .
S15 Ag23 Ag11 78.63(18) . 2_566
S15 Ag23 Ag5 47.92(15) . .
S15 Ag23 Ag6 95.83(14) . 2_566
S15 Ag23 Ag18 97.03(14) . 2_566
S15 Ag23 Ag22 115.99(18) . 2_566
S15 Ag23 Ag24 135.64(18) . 2_566
S15 Ag23 Ag25 107.06(17) . .
S15 Ag23 Ag26 143.21(16) . 2_566
Au2 Ag24 Ag9 114.97(5) . 2_566
Au2 Ag24 Ag6 108.81(5) . .
Au2 Ag24 Ag8 108.30(5) . 2_566
Au2 Ag24 Ag18 57.84(3) . 2_566
Au2 Ag24 Ag22 58.23(3) . 2_566
Au2 Ag24 Ag23 58.94(3) . 2_566
Au2 Ag24 Ag25 58.82(3) . 2_566
Au2 Ag24 Ag26 58.48(3) . .
Ag9 Ag24 Ag6 116.06(6) 2_566 .
Ag9 Ag24 Ag8 70.79(5) 2_566 2_566
Ag9 Ag24 Ag18 63.15(5) 2_566 2_566
Ag9 Ag24 Ag22 70.47(5) 2_566 2_566
Ag9 Ag24 Ag26 110.43(6) 2_566 .
Ag8 Ag24 Ag6 133.26(5) 2_566 .
Ag18 Ag24 Ag6 111.36(6) 2_566 .
Ag18 Ag24 Ag8 112.04(5) 2_566 2_566
Ag22 Ag24 Ag6 166.52(6) 2_566 .
Ag22 Ag24 Ag8 59.25(4) 2_566 2_566
Ag22 Ag24 Ag18 59.81(4) 2_566 2_566
Ag22 Ag24 Ag26 107.82(5) 2_566 .
Ag23 Ag24 Ag9 170.94(7) 2_566 2_566
Ag23 Ag24 Ag6 63.11(4) 2_566 .
Ag23 Ag24 Ag8 116.79(6) 2_566 2_566
Ag23 Ag24 Ag18 108.28(5) 2_566 2_566
Ag23 Ag24 Ag22 108.44(5) 2_566 2_566
Ag23 Ag24 Ag25 60.03(5) 2_566 2_566
Ag23 Ag24 Ag26 60.97(5) 2_566 .
Ag25 Ag24 Ag9 124.03(6) 2_566 2_566
Ag25 Ag24 Ag6 117.87(6) 2_566 .
Ag25 Ag24 Ag8 62.22(5) 2_566 2_566
Ag25 Ag24 Ag18 108.22(5) 2_566 2_566
Ag25 Ag24 Ag22 60.43(4) 2_566 2_566
Ag25 Ag24 Ag26 108.78(5) 2_566 .
Ag26 Ag24 Ag6 59.23(4) . .
Ag26 Ag24 Ag8 166.38(5) . 2_566
Ag26 Ag24 Ag18 59.41(4) . 2_566
S5 Ag24 Au2 148.64(16) . .
S5 Ag24 Ag9 71.90(15) . 2_566
S5 Ag24 Ag6 47.65(14) . .
S5 Ag24 Ag8 102.84(15) . 2_566
S5 Ag24 Ag18 106.76(17) . 2_566
S5 Ag24 Ag22 141.98(15) . 2_566
S5 Ag24 Ag23 109.58(15) . 2_566
S5 Ag24 Ag25 144.99(17) . 2_566
S5 Ag24 Ag26 90.20(15) . .
Au2 Ag25 Ag14 114.18(6) . .
Au2 Ag25 Ag5 110.73(5) . .
Au2 Ag25 Ag8 109.01(5) . .
Au2 Ag25 Ag18 58.43(4) . 2_566
Au2 Ag25 Ag22 58.23(4) . .
Au2 Ag25 Ag23 58.77(4) . .
Au2 Ag25 Ag24 58.65(4) . 2_566
Au2 Ag25 Ag26 58.22(4) . .
Ag14 Ag25 Ag5 68.07(5) . .
Ag14 Ag25 Ag8 119.63(7) . .
Ag5 Ag25 Ag8 129.88(5) . .
Ag18 Ag25 Ag14 67.35(6) 2_566 .
Ag18 Ag25 Ag5 62.11(4) 2_566 .
Ag18 Ag25 Ag8 166.99(6) 2_566 .
Ag18 Ag25 Ag22 107.90(5) 2_566 .
Ag18 Ag25 Ag26 59.81(4) 2_566 .
Ag22 Ag25 Ag14 113.84(6) . .
Ag22 Ag25 Ag5 168.89(6) . .
Ag22 Ag25 Ag8 59.65(4) . .
Ag22 Ag25 Ag26 59.86(4) . .
Ag23 Ag25 Ag14 120.40(7) . .
Ag23 Ag25 Ag5 63.28(5) . .
Ag23 Ag25 Ag8 117.44(5) . .
Ag23 Ag25 Ag18 60.70(4) . 2_566
Ag23 Ag25 Ag22 108.29(6) . .
Ag23 Ag25 Ag24 59.69(5) . 2_566
Ag23 Ag25 Ag26 108.50(6) . .
Ag24 Ag25 Ag14 172.25(7) 2_566 .
Ag24 Ag25 Ag5 116.27(5) 2_566 .
Ag24 Ag25 Ag8 63.28(5) 2_566 .
Ag24 Ag25 Ag18 108.36(6) 2_566 2_566
Ag24 Ag25 Ag22 60.58(4) 2_566 .
Ag24 Ag25 Ag26 108.47(6) 2_566 .
Ag26 Ag25 Ag14 63.87(5) . .
Ag26 Ag25 Ag5 114.48(5) . .
Ag26 Ag25 Ag8 111.90(6) . .
S17 Ag25 Au2 148.00(17) . .
S17 Ag25 Ag14 73.60(17) . .
S17 Ag25 Ag5 101.00(17) . .
S17 Ag25 Ag8 48.27(17) . .
S17 Ag25 Ag18 140.85(18) . 2_566
S17 Ag25 Ag22 89.93(17) . .
S17 Ag25 Ag23 146.38(17) . .
S17 Ag25 Ag24 110.75(17) . 2_566
S17 Ag25 Ag26 105.07(17) . .
Au2 Ag26 Ag11 103.27(5) . .
Au2 Ag26 Ag14 109.02(5) . .
Au2 Ag26 Ag6 112.97(5) . .
Au2 Ag26 Ag18 58.21(3) . 2_566
Au2 Ag26 Ag22 58.06(3) . .
Au2 Ag26 Ag23 57.88(3) . 2_566
Au2 Ag26 Ag24 57.97(3) . .
Au2 Ag26 Ag25 57.88(3) . .
Ag14 Ag26 Ag11 128.08(7) . .
Ag6 Ag26 Ag11 66.67(5) . .
Ag6 Ag26 Ag14 129.50(6) . .
Ag18 Ag26 Ag11 161.45(6) 2_566 .
Ag18 Ag26 Ag14 65.07(5) 2_566 .
Ag18 Ag26 Ag6 117.29(6) 2_566 .
Ag18 Ag26 Ag22 107.50(5) 2_566 .
Ag18 Ag26 Ag23 107.41(5) 2_566 2_566
Ag18 Ag26 Ag24 60.86(5) 2_566 .
Ag18 Ag26 Ag25 59.48(4) 2_566 .
Ag22 Ag26 Ag11 57.84(4) . .
Ag22 Ag26 Ag14 109.03(7) . .
Ag22 Ag26 Ag6 116.35(6) . .
Ag22 Ag26 Ag23 60.52(4) . 2_566
Ag22 Ag26 Ag24 107.22(5) . .
Ag22 Ag26 Ag25 59.69(4) . .
Ag23 Ag26 Ag11 56.56(5) 2_566 .
Ag23 Ag26 Ag14 165.82(6) 2_566 .
Ag23 Ag26 Ag6 64.34(4) 2_566 .
Ag23 Ag26 Ag25 107.67(5) 2_566 .
Ag24 Ag26 Ag11 110.09(6) . .
Ag24 Ag26 Ag14 121.35(7) . .
Ag24 Ag26 Ag6 64.68(4) . .
Ag24 Ag26 Ag23 58.42(5) . 2_566
Ag24 Ag26 Ag25 107.75(5) . .
Ag25 Ag26 Ag11 113.47(6) . .
Ag25 Ag26 Ag14 58.26(5) . .
Ag25 Ag26 Ag6 170.84(6) . .
S18 Ag26 Au2 158.51(17) . .
S18 Ag26 Ag11 94.84(18) . .
S18 Ag26 Ag14 49.75(17) . .
S18 Ag26 Ag6 84.68(18) . .
S18 Ag26 Ag18 103.50(18) . 2_566
S18 Ag26 Ag22 126.4(2) . .
S18 Ag26 Ag23 143.60(17) . 2_566
S18 Ag26 Ag24 126.0(2) . .
S18 Ag26 Ag25 104.32(19) . .
Ag9 S1 Au18 78.78(16) . .
Ag9 S1 Ag18 78.78(16) . .
C1 S1 Ag9 104.3(8) . .
C1 S1 Au18 108.2(7) . .
C1 S1 Ag18 108.2(7) . .
Au7 S2 Ag12 92.8(2) . .
Ag7 S2 Ag12 92.8(2) . .
C7 S2 Ag12 103.7(8) . .
C7 S2 Au7 106.5(9) . .
C7 S2 Ag7 106.5(9) . .
Au3 S3 Au19 79.35(17) . .
Ag3 S3 Ag19 79.35(17) . .
C13 S3 Au3 106.6(10) . .
C13 S3 Au19 112.6(10) . .
C13 S3 Ag3 106.6(10) . .
C13 S3 Ag19 112.6(10) . .
Au7 S4 Au21 83.6(2) . .
Ag7 S4 Ag21 83.6(2) . .
C19 S4 Au7 109.4(11) . .
C19 S4 Au21 116.8(10) . .
C19 S4 Ag7 109.4(11) . .
C19 S4 Ag21 116.8(10) . .
Au6 S5 Au24 82.21(17) . .
Ag6 S5 Ag24 82.21(17) . .
C25 S5 Au6 103.6(10) . .
C25 S5 Au24 117.1(9) . .
C25 S5 Ag6 103.6(10) . .
C25 S5 Ag24 117.1(9) . .
Au3 S6 Au10 96.60(19) . .
Ag3 S6 Ag10 96.60(19) . .
C31 S6 Au3 104.3(8) . .
C31 S6 Au10 103.7(8) . .
C31 S6 Ag3 104.3(8) . .
C31 S6 Ag10 103.7(8) . .
Au4 S7 Ag20 83.64(17) . .
Ag4 S7 Ag20 83.64(17) . .
C37 S7 Ag20 113.9(10) . .
C37 S7 Au4 107.3(11) . .
C37 S7 Ag4 107.3(11) . .
Au10 S8 Au17 77.92(17) . .
Ag10 S8 Ag17 77.92(17) . .
C43 S8 Au10 100.3(8) . .
C43 S8 Au17 109.3(8) . .
C43 S8 Ag10 100.3(8) . .
C43 S8 Ag17 109.3(8) . .
Au6 S9 Ag11 94.72(18) . .
Ag6 S9 Ag11 94.72(18) . .
C49 S9 Ag11 102.3(9) . .
C49 S9 Au6 103.5(9) . .
C49 S9 Ag6 103.5(9) . .
Au5 S10 Ag14 92.0(2) . .
Ag5 S10 Ag14 92.0(2) . .
C55 S10 Ag14 105.8(9) . .
C55 S10 Au5 100.3(9) . .
C55 S10 Ag5 100.3(9) . .
Au8 S11 Ag9 96.2(2) . .
Ag8 S11 Ag9 96.2(2) . .
C61 S11 Ag9 104.0(9) . .
C61 S11 Au8 104.0(9) . .
C61 S11 Ag8 104.0(9) . .
Au13 S12 Au16 79.16(18) . .
Ag13 S12 Ag16 79.16(18) . .
C67 S12 Au13 106.0(9) . .
C67 S12 Au16 109.1(9) . .
C67 S12 Ag13 106.0(9) . .
C67 S12 Ag16 109.1(9) . .
Ag12 S13 Au15 80.15(18) . .
Ag12 S13 Ag15 80.15(18) . .
C73 S13 Ag12 105.6(9) . .
C73 S13 Au15 109.7(8) . .
C73 S13 Ag15 109.7(8) . .
Au4 S14 Au13 95.8(2) . .
Ag4 S14 Ag13 95.8(2) . .
C79 S14 Au4 105.9(10) . .
C79 S14 Au13 104.5(9) . .
C79 S14 Ag4 105.9(10) . .
C79 S14 Ag13 104.5(9) . .
Au5 S15 Au23 81.20(17) . .
Ag5 S15 Ag23 81.20(17) . .
C85 S15 Au5 101.5(10) . .
C85 S15 Au23 111.7(10) . .
C85 S15 Ag5 101.5(10) . .
C85 S15 Ag23 111.7(10) . .
Ag11 S16 Au22 76.55(18) . .
Ag11 S16 Ag22 76.55(18) . .
C91 S16 Ag11 104.5(7) . .
C91 S16 Au22 108.9(6) . .
C91 S16 Ag22 108.9(6) . .
Au8 S17 Au25 80.9(2) . .
Ag8 S17 Ag25 80.9(2) . .
C97 S17 Au8 105.5(6) . .
C97 S17 Au25 120.9(5) . .
C97 S17 Ag8 105.5(6) . .
C97 S17 Ag25 120.9(5) . .
Ag14 S18 Au26 79.81(18) . .
Ag14 S18 Ag26 79.81(18) . .
C103 S18 Ag14 101.0(7) . .
C103 S18 Au26 112.4(7) . .
C103 S18 Ag26 112.4(7) . .
S1 C1 H1 108.2 . .
C2 C1 S1 112.5(16) . .
C2 C1 H1 108.2 . .
C2 C1 C6 112(2) . .
C6 C1 S1 107.9(16) . .
C6 C1 H1 108.2 . .
C1 C2 H2A 110.2 . .
C1 C2 H2B 110.2 . .
C1 C2 C3 107(2) . .
H2A C2 H2B 108.5 . .
C3 C2 H2A 110.2 . .
C3 C2 H2B 110.2 . .
C2 C3 H3A 110.5 . .
C2 C3 H3B 110.5 . .
H3A C3 H3B 108.7 . .
C4 C3 C2 106(2) . .
C4 C3 H3A 110.5 . .
C4 C3 H3B 110.5 . .
C3 C4 H4A 108.8 . .
C3 C4 H4B 108.8 . .
C3 C4 C5 114(2) . .
H4A C4 H4B 107.7 . .
C5 C4 H4A 108.8 . .
C5 C4 H4B 108.8 . .
C4 C5 H5A 110.2 . .
C4 C5 H5B 110.2 . .
H5A C5 H5B 108.5 . .
C6 C5 C4 108(2) . .
C6 C5 H5A 110.2 . .
C6 C5 H5B 110.2 . .
C1 C6 H6A 109.4 . .
C1 C6 H6B 109.4 . .
C5 C6 C1 111(2) . .
C5 C6 H6A 109.4 . .
C5 C6 H6B 109.4 . .
H6A C6 H6B 108.0 . .
S2 C7 H7 108.6 . .
C8 C7 S2 109.0(17) . .
C8 C7 H7 108.6 . .
C8 C7 C12 112(2) . .
C12 C7 S2 110.2(19) . .
C12 C7 H7 108.6 . .
C7 C8 H8A 109.5 . .
C7 C8 H8B 109.5 . .
C7 C8 C9 111(2) . .
H8A C8 H8B 108.1 . .
C9 C8 H8A 109.5 . .
C9 C8 H8B 109.5 . .
C8 C9 H9A 109.4 . .
C8 C9 H9B 109.4 . .
H9A C9 H9B 108.0 . .
C10 C9 C8 111(3) . .
C10 C9 H9A 109.4 . .
C10 C9 H9B 109.4 . .
C9 C10 H10A 110.1 . .
C9 C10 H10B 110.1 . .
C9 C10 C11 108(2) . .
H10A C10 H10B 108.4 . .
C11 C10 H10A 110.1 . .
C11 C10 H10B 110.1 . .
C10 C11 H11A 108.4 . .
C10 C11 H11B 108.4 . .
H11A C11 H11B 107.5 . .
C12 C11 C10 115(2) . .
C12 C11 H11A 108.4 . .
C12 C11 H11B 108.4 . .
C7 C12 H12A 110.4 . .
C7 C12 H12B 110.4 . .
C11 C12 C7 106(2) . .
C11 C12 H12A 110.4 . .
C11 C12 H12B 110.4 . .
H12A C12 H12B 108.6 . .
S3 C13 H13 106.8 . .
C14 C13 S3 119(2) . .
C14 C13 H13 106.8 . .
C14 C13 C18 112(3) . .
C18 C13 S3 104(2) . .
C18 C13 H13 106.8 . .
C13 C14 H14A 107.7 . .
C13 C14 H14B 107.7 . .
C13 C14 C15 118(3) . .
H14A C14 H14B 107.1 . .
C15 C14 H14A 107.7 . .
C15 C14 H14B 107.7 . .
C14 C15 H15A 109.2 . .
C14 C15 H15B 109.2 . .
H15A C15 H15B 107.9 . .
C16 C15 C14 112(3) . .
C16 C15 H15A 109.2 . .
C16 C15 H15B 109.2 . .
C15 C16 H16A 106.9 . .
C15 C16 H16B 106.9 . .
C15 C16 C17 122(3) . .
H16A C16 H16B 106.7 . .
C17 C16 H16A 106.9 . .
C17 C16 H16B 106.9 . .
C16 C17 H17A 111.0 . .
C16 C17 H17B 111.0 . .
C16 C17 C18 104(3) . .
H17A C17 H17B 109.0 . .
C18 C17 H17A 111.0 . .
C18 C17 H17B 111.0 . .
C13 C18 C17 107(3) . .
C13 C18 H18A 110.3 . .
C13 C18 H18B 110.3 . .
C17 C18 H18A 110.3 . .
C17 C18 H18B 110.3 . .
H18A C18 H18B 108.6 . .
S4 C19 H19 107.5 . .
C20 C19 S4 110(2) . .
C20 C19 H19 107.5 . .
C24 C19 S4 115(2) . .
C24 C19 H19 107.5 . .
C24 C19 C20 109(3) . .
C19 C20 H20A 109.9 . .
C19 C20 H20B 109.9 . .
C19 C20 C21 109(3) . .
H20A C20 H20B 108.3 . .
C21 C20 H20A 109.9 . .
C21 C20 H20B 109.9 . .
C20 C21 H21A 111.2 . .
C20 C21 H21B 111.2 . .
H21A C21 H21B 109.1 . .
C22 C21 C20 103(3) . .
C22 C21 H21A 111.2 . .
C22 C21 H21B 111.2 . .
C21 C22 H22A 109.3 . .
C21 C22 H22B 109.3 . .
C21 C22 C23 112(3) . .
H22A C22 H22B 107.9 . .
C23 C22 H22A 109.3 . .
C23 C22 H22B 109.3 . .
C22 C23 H23A 111.8 . .
C22 C23 H23B 111.8 . .
H23A C23 H23B 109.5 . .
C24 C23 C22 100(3) . .
C24 C23 H23A 111.8 . .
C24 C23 H23B 111.8 . .
C19 C24 C23 123(3) . .
C19 C24 H24A 106.7 . .
C19 C24 H24B 106.7 . .
C23 C24 H24A 106.7 . .
C23 C24 H24B 106.7 . .
H24A C24 H24B 106.6 . .
S5 C25 H25 106.6 . .
C26 C25 S5 111(2) . .
C26 C25 H25 106.6 . .
C30 C25 S5 115.7(19) . .
C30 C25 H25 106.6 . .
C30 C25 C26 110(3) . .
C25 C26 H26A 109.1 . .
C25 C26 H26B 109.1 . .
C25 C26 C27 113(3) . .
H26A C26 H26B 107.8 . .
C27 C26 H26A 109.1 . .
C27 C26 H26B 109.1 . .
C26 C27 H27A 108.8 . .
C26 C27 H27B 108.8 . .
H27A C27 H27B 107.7 . .
C28 C27 C26 114(3) . .
C28 C27 H27A 108.8 . .
C28 C27 H27B 108.8 . .
C27 C28 H28A 109.7 . .
C27 C28 H28B 109.7 . .
C27 C28 C29 110(3) . .
H28A C28 H28B 108.2 . .
C29 C28 H28A 109.7 . .
C29 C28 H28B 109.7 . .
C28 C29 H29A 111.1 . .
C28 C29 H29B 111.1 . .
H29A C29 H29B 109.1 . .
C30 C29 C28 103(3) . .
C30 C29 H29A 111.1 . .
C30 C29 H29B 111.1 . .
C25 C30 C29 112(3) . .
C25 C30 H30A 109.3 . .
C25 C30 H30B 109.3 . .
C29 C30 H30A 109.3 . .
C29 C30 H30B 109.3 . .
H30A C30 H30B 107.9 . .
S6 C31 H31 109.2 . .
C32 C31 S6 110.2(17) . .
C32 C31 H31 109.2 . .
C32 C31 C36 111.5(18) . .
C36 C31 S6 107.5(16) . .
C36 C31 H31 109.2 . .
C31 C32 H32A 110.0 . .
C31 C32 H32B 110.0 . .
H32A C32 H32B 108.4 . .
C33 C32 C31 108(2) . .
C33 C32 H32A 110.0 . .
C33 C32 H32B 110.0 . .
C32 C33 H33A 109.0 . .
C32 C33 H33B 109.0 . .
C32 C33 C34 113(2) . .
H33A C33 H33B 107.8 . .
C34 C33 H33A 109.0 . .
C34 C33 H33B 109.0 . .
C33 C34 H34A 109.3 . .
C33 C34 H34B 109.3 . .
H34A C34 H34B 107.9 . .
C35 C34 C33 112(2) . .
C35 C34 H34A 109.3 . .
C35 C34 H34B 109.3 . .
C34 C35 H35A 109.4 . .
C34 C35 H35B 109.4 . .
C34 C35 C36 111(2) . .
H35A C35 H35B 108.0 . .
C36 C35 H35A 109.4 . .
C36 C35 H35B 109.4 . .
C31 C36 C35 110(2) . .
C31 C36 H36A 109.6 . .
C31 C36 H36B 109.6 . .
C35 C36 H36A 109.6 . .
C35 C36 H36B 109.6 . .
H36A C36 H36B 108.1 . .
S7 C37 H37 108.2 . .
C38 C37 S7 115(2) . .
C38 C37 H37 108.2 . .
C38 C37 C42 110(3) . .
C42 C37 S7 107(2) . .
C42 C37 H37 108.2 . .
C37 C38 H38A 107.9 . .
C37 C38 H38B 107.9 . .
C37 C38 C39 118(3) . .
H38A C38 H38B 107.2 . .
C39 C38 H38A 107.9 . .
C39 C38 H38B 107.9 . .
C38 C39 H39A 109.9 . .
C38 C39 H39B 109.9 . .
C38 C39 C40 109(3) . .
H39A C39 H39B 108.3 . .
C40 C39 H39A 109.9 . .
C40 C39 H39B 109.9 . .
C39 C40 H40A 109.7 . .
C39 C40 H40B 109.7 . .
C39 C40 C41 110(3) . .
H40A C40 H40B 108.2 . .
C41 C40 H40A 109.7 . .
C41 C40 H40B 109.7 . .
C40 C41 H41A 111.5 . .
C40 C41 H41B 111.5 . .
H41A C41 H41B 109.4 . .
C42 C41 C40 101(3) . .
C42 C41 H41A 111.5 . .
C42 C41 H41B 111.5 . .
C37 C42 H42A 111.5 . .
C37 C42 H42B 111.5 . .
C41 C42 C37 101(3) . .
C41 C42 H42A 111.5 . .
C41 C42 H42B 111.5 . .
H42A C42 H42B 109.4 . .
S8 C43 H43 107.9 . .
C44 C43 S8 107.2(19) . .
C44 C43 H43 107.9 . .
C48 C43 S8 113(2) . .
C48 C43 H43 107.9 . .
C48 C43 C44 112(2) . .
C43 C44 H44A 109.6 . .
C43 C44 H44B 109.6 . .
H44A C44 H44B 108.1 . .
C45 C44 C43 110(2) . .
C45 C44 H44A 109.6 . .
C45 C44 H44B 109.6 . .
C44 C45 H45A 108.4 . .
C44 C45 H45B 108.4 . .
C44 C45 C46 116(3) . .
H45A C45 H45B 107.5 . .
C46 C45 H45A 108.4 . .
C46 C45 H45B 108.4 . .
C45 C46 H46A 109.7 . .
C45 C46 H46B 109.7 . .
H46A C46 H46B 108.2 . .
C47 C46 C45 110(2) . .
C47 C46 H46A 109.7 . .
C47 C46 H46B 109.7 . .
C46 C47 H47A 109.7 . .
C46 C47 H47B 109.7 . .
H47A C47 H47B 108.2 . .
C48 C47 C46 110(3) . .
C48 C47 H47A 109.7 . .
C48 C47 H47B 109.7 . .
C43 C48 C47 114(2) . .
C43 C48 H48A 108.7 . .
C43 C48 H48B 108.7 . .
C47 C48 H48A 108.7 . .
C47 C48 H48B 108.7 . .
H48A C48 H48B 107.6 . .
S9 C49 H49 112.3 . .
C50 C49 S9 103.6(18) . .
C50 C49 H49 112.3 . .
C54 C49 S9 109(2) . .
C54 C49 H49 112.3 . .
C54 C49 C50 107(2) . .
C49 C50 H50A 111.5 . .
C49 C50 H50B 111.5 . .
C49 C50 C51 102(2) . .
H50A C50 H50B 109.3 . .
C51 C50 H50A 111.5 . .
C51 C50 H50B 111.5 . .
C50 C51 H51A 109.3 . .
C50 C51 H51B 109.3 . .
H51A C51 H51B 107.9 . .
C52 C51 C50 112(3) . .
C52 C51 H51A 109.3 . .
C52 C51 H51B 109.3 . .
C51 C52 H52A 108.7 . .
C51 C52 H52B 108.7 . .
C51 C52 C53 114(3) . .
H52A C52 H52B 107.6 . .
C53 C52 H52A 108.7 . .
C53 C52 H52B 108.7 . .
C52 C53 H53A 109.5 . .
C52 C53 H53B 109.5 . .
C52 C53 C54 111(3) . .
H53A C53 H53B 108.1 . .
C54 C53 H53A 109.5 . .
C54 C53 H53B 109.5 . .
C49 C54 C53 108(2) . .
C49 C54 H54A 110.1 . .
C49 C54 H54B 110.1 . .
C53 C54 H54A 110.1 . .
C53 C54 H54B 110.1 . .
H54A C54 H54B 108.4 . .
S10 C55 H55 107.4 . .
C56 C55 S10 111.9(18) . .
C56 C55 H55 107.4 . .
C56 C55 C60 109(2) . .
C60 C55 S10 113.5(19) . .
C60 C55 H55 107.4 . .
C55 C56 H56A 109.9 . .
C55 C56 H56B 109.9 . .
C55 C56 C57 109(2) . .
H56A C56 H56B 108.3 . .
C57 C56 H56A 109.9 . .
C57 C56 H56B 109.9 . .
C56 C57 H57A 108.2 . .
C56 C57 H57B 108.2 . .
H57A C57 H57B 107.4 . .
C58 C57 C56 116(3) . .
C58 C57 H57A 108.2 . .
C58 C57 H57B 108.2 . .
C57 C58 H58A 109.8 . .
C57 C58 H58B 109.8 . .
C57 C58 C59 109(2) . .
H58A C58 H58B 108.2 . .
C59 C58 H58A 109.8 . .
C59 C58 H58B 109.8 . .
C58 C59 H59A 108.7 . .
C58 C59 H59B 108.7 . .
C58 C59 C60 114(2) . .
H59A C59 H59B 107.6 . .
C60 C59 H59A 108.7 . .
C60 C59 H59B 108.7 . .
C55 C60 H60A 109.2 . .
C55 C60 H60B 109.2 . .
C59 C60 C55 112(2) . .
C59 C60 H60A 109.2 . .
C59 C60 H60B 109.2 . .
H60A C60 H60B 107.9 . .
S11 C61 H61 108.9 . .
C62 C61 S11 110.4(18) . .
C62 C61 H61 108.9 . .
C66 C61 S11 108.5(19) . .
C66 C61 H61 108.9 . .
C66 C61 C62 111(2) . .
C61 C62 H62A 109.1 . .
C61 C62 H62B 109.1 . .
H62A C62 H62B 107.8 . .
C63 C62 C61 113(2) . .
C63 C62 H62A 109.1 . .
C63 C62 H62B 109.1 . .
C62 C63 H63A 109.0 . .
C62 C63 H63B 109.0 . .
C62 C63 C64 113(3) . .
H63A C63 H63B 107.8 . .
C64 C63 H63A 109.0 . .
C64 C63 H63B 109.0 . .
C63 C64 H64A 109.9 . .
C63 C64 H64B 109.9 . .
H64A C64 H64B 108.3 . .
C65 C64 C63 109(3) . .
C65 C64 H64A 109.9 . .
C65 C64 H64B 109.9 . .
C64 C65 H65A 108.8 . .
C64 C65 H65B 108.8 . .
C64 C65 C66 114(3) . .
H65A C65 H65B 107.7 . .
C66 C65 H65A 108.8 . .
C66 C65 H65B 108.8 . .
C61 C66 C65 112(2) . .
C61 C66 H66A 109.3 . .
C61 C66 H66B 109.3 . .
C65 C66 H66A 109.3 . .
C65 C66 H66B 109.3 . .
H66A C66 H66B 108.0 . .
S12 C67 H67 108.7 . .
C68 C67 S12 114.3(18) . .
C68 C67 H67 108.7 . .
C68 C67 C72 113(2) . .
C72 C67 S12 103.3(17) . .
C72 C67 H67 108.7 . .
C67 C68 H68A 109.1 . .
C67 C68 H68B 109.1 . .
C67 C68 C69 112(2) . .
H68A C68 H68B 107.8 . .
C69 C68 H68A 109.1 . .
C69 C68 H68B 109.1 . .
C68 C69 H69A 110.0 . .
C68 C69 H69B 110.0 . .
H69A C69 H69B 108.3 . .
C70 C69 C68 109(2) . .
C70 C69 H69A 110.0 . .
C70 C69 H69B 110.0 . .
C69 C70 H70A 110.2 . .
C69 C70 H70B 110.2 . .
C69 C70 C71 107(3) . .
H70A C70 H70B 108.5 . .
C71 C70 H70A 110.2 . .
C71 C70 H70B 110.2 . .
C70 C71 H71A 107.5 . .
C70 C71 H71B 107.5 . .
C70 C71 C72 119(2) . .
H71A C71 H71B 107.0 . .
C72 C71 H71A 107.5 . .
C72 C71 H71B 107.5 . .
C67 C72 H72A 110.8 . .
C67 C72 H72B 110.8 . .
C71 C72 C67 105(2) . .
C71 C72 H72A 110.8 . .
C71 C72 H72B 110.8 . .
H72A C72 H72B 108.8 . .
S13 C73 H73 106.4 . .
C74 C73 S13 114.0(18) . .
C74 C73 H73 106.4 . .
C74 C73 C78 114(2) . .
C78 C73 S13 109(2) . .
C78 C73 H73 106.4 . .
C73 C74 H74A 108.0 . .
C73 C74 H74B 108.0 . .
C73 C74 C75 117(2) . .
H74A C74 H74B 107.3 . .
C75 C74 H74A 108.0 . .
C75 C74 H74B 108.0 . .
C74 C75 H75A 109.6 . .
C74 C75 H75B 109.6 . .
H75A C75 H75B 108.2 . .
C76 C75 C74 110(3) . .
C76 C75 H75A 109.6 . .
C76 C75 H75B 109.6 . .
C75 C76 H76A 109.3 . .
C75 C76 H76B 109.3 . .
C75 C76 C77 112(3) . .
H76A C76 H76B 107.9 . .
C77 C76 H76A 109.3 . .
C77 C76 H76B 109.3 . .
C76 C77 H77A 107.7 . .
C76 C77 H77B 107.7 . .
H77A C77 H77B 107.1 . .
C78 C77 C76 119(3) . .
C78 C77 H77A 107.7 . .
C78 C77 H77B 107.7 . .
C73 C78 C77 105(2) . .
C73 C78 H78A 110.7 . .
C73 C78 H78B 110.7 . .
C77 C78 H78A 110.7 . .
C77 C78 H78B 110.7 . .
H78A C78 H78B 108.8 . .
S14 C79 H79 108.7 . .
C80 C79 S14 112.5(19) . .
C80 C79 H79 108.7 . .
C80 C79 C84 113(2) . .
C84 C79 S14 104.9(18) . .
C84 C79 H79 108.7 . .
C79 C80 H80A 110.2 . .
C79 C80 H80B 110.2 . .
C79 C80 C81 107(2) . .
H80A C80 H80B 108.5 . .
C81 C80 H80A 110.2 . .
C81 C80 H80B 110.2 . .
C80 C81 H81A 109.8 . .
C80 C81 H81B 109.8 . .
H81A C81 H81B 108.2 . .
C82 C81 C80 110(3) . .
C82 C81 H81A 109.8 . .
C82 C81 H81B 109.8 . .
C81 C82 H82A 110.2 . .
C81 C82 H82B 110.2 . .
H82A C82 H82B 108.5 . .
C83 C82 C81 108(3) . .
C83 C82 H82A 110.2 . .
C83 C82 H82B 110.2 . .
C82 C83 H83A 109.1 . .
C82 C83 H83B 109.1 . .
C82 C83 C84 113(2) . .
H83A C83 H83B 107.8 . .
C84 C83 H83A 109.1 . .
C84 C83 H83B 109.1 . .
C79 C84 H84A 110.5 . .
C79 C84 H84B 110.5 . .
C83 C84 C79 106(2) . .
C83 C84 H84A 110.5 . .
C83 C84 H84B 110.5 . .
H84A C84 H84B 108.7 . .
S15 C85 H85 115.7 . .
C86 C85 S15 101(2) . .
C86 C85 H85 115.7 . .
C90 C85 S15 107(2) . .
C90 C85 H85 115.7 . .
C90 C85 C86 100(2) . .
C85 C86 H86A 113.6 . .
C85 C86 H86B 113.6 . .
C85 C86 C87 90(2) . .
H86A C86 H86B 110.9 . .
C87 C86 H86A 113.6 . .
C87 C86 H86B 113.6 . .
C86 C87 H87A 111.1 . .
C86 C87 H87B 111.1 . .
H87A C87 H87B 109.1 . .
C88 C87 C86 103(3) . .
C88 C87 H87A 111.1 . .
C88 C87 H87B 111.1 . .
C87 C88 H88A 106.9 . .
C87 C88 H88B 106.9 . .
C87 C88 C89 122(4) . .
H88A C88 H88B 106.7 . .
C89 C88 H88A 106.9 . .
C89 C88 H88B 106.9 . .
C88 C89 H89A 110.7 . .
C88 C89 H89B 110.7 . .
C88 C89 C90 105(3) . .
H89A C89 H89B 108.8 . .
C90 C89 H89A 110.7 . .
C90 C89 H89B 110.7 . .
C85 C90 C89 107(3) . .
C85 C90 H90A 110.3 . .
C85 C90 H90B 110.3 . .
C89 C90 H90A 110.3 . .
C89 C90 H90B 110.3 . .
H90A C90 H90B 108.5 . .
H92A C92 H92B 107.5 . .
C93 C92 H92A 108.4 . .
C93 C92 H92B 108.4 . .
C91 C92 H92A 108.4 . .
C91 C92 H92B 108.4 . .
C91 C92 C93 115.5 . .
C92 C93 H93A 108.6 . .
C92 C93 H93B 108.6 . .
C92 C93 C94 114.8 . .
H93A C93 H93B 107.5 . .
C94 C93 H93A 108.6 . .
C94 C93 H93B 108.6 . .
C93 C94 H94A 108.5 . .
C93 C94 H94B 108.5 . .
H94A C94 H94B 107.5 . .
C95 C94 C93 115.0 . .
C95 C94 H94A 108.5 . .
C95 C94 H94B 108.5 . .
C94 C95 H95A 110.5 . .
C94 C95 H95B 110.5 . .
C94 C95 C96 106.3 . .
H95A C95 H95B 108.7 . .
C96 C95 H95A 110.5 . .
C96 C95 H95B 110.5 . .
C95 C96 H96A 111.0 . .
C95 C96 H96B 111.0 . .
H96A C96 H96B 109.0 . .
C91 C96 C95 103.8 . .
C91 C96 H96A 111.0 . .
C91 C96 H96B 111.0 . .
S16 C91 H91 109.1 . .
C92 C91 S16 111.2(11) . .
C92 C91 C96 112.2 . .
C92 C91 H91 109.1 . .
C96 C91 S16 106.1(9) . .
C96 C91 H91 109.1 . .
S17 C97 H97 107.9 . .
C98 C97 S17 106.9(5) . .
C98 C97 H97 107.9 . .
C98 C97 C102 111.8 . .
C102 C97 S17 114.2(4) . .
C102 C97 H97 107.9 . .
C97 C98 H98A 110.6 . .
C97 C98 H98B 110.6 . .
C97 C98 C99 105.7 . .
H98A C98 H98B 108.7 . .
C99 C98 H98A 110.6 . .
C99 C98 H98B 110.6 . .
C98 C99 H99A 110.1 . .
C98 C99 H99B 110.1 . .
H99A C99 H99B 108.4 . .
C100 C99 C98 108.0 . .
C100 C99 H99A 110.1 . .
C100 C99 H99B 110.1 . .
C99 C100 H10C 109.1 . .
C99 C100 H10D 109.1 . .
C99 C100 C101 112.7 . .
H10C C100 H10D 107.8 . .
C101 C100 H10C 109.1 . .
C101 C100 H10D 109.1 . .
C100 C101 H10E 109.6 . .
C100 C101 H10F 109.6 . .
H10E C101 H10F 108.1 . .
C102 C101 C100 110.4 . .
C102 C101 H10E 109.6 . .
C102 C101 H10F 109.6 . .
C97 C102 H10G 110.1 . .
C97 C102 H10H 110.1 . .
C101 C102 C97 107.9 . .
C101 C102 H10G 110.1 . .
C101 C102 H10H 110.1 . .
H10G C102 H10H 108.4 . .
S18 C103 H103 103.4 . .
C104 C103 S18 120.5(6) . .
C104 C103 H103 103.4 . .
C108 C103 S18 108.3(10) . .
C108 C103 H103 103.4 . .
C108 C103 C104 115.4 . .
C103 C104 H10I 108.6 . .
C103 C104 H10J 108.6 . .
C103 C104 C105 114.8 . .
H10I C104 H10J 107.5 . .
C105 C104 H10I 108.6 . .
C105 C104 H10J 108.6 . .
C104 C105 H10K 108.5 . .
C104 C105 H10L 108.5 . .
H10K C105 H10L 107.5 . .
C106 C105 C104 114.9 . .
C106 C105 H10K 108.5 . .
C106 C105 H10L 108.5 . .
C105 C106 H10M 110.5 . .
C105 C106 H10N 110.5 . .
C105 C106 C107 106.3 . .
H10M C106 H10N 108.7 . .
C107 C106 H10M 110.5 . .
C107 C106 H10N 110.5 . .
C106 C107 H10O 111.0 . .
C106 C107 H10P 111.0 . .
H10O C107 H10P 109.0 . .
C108 C107 C106 103.8 . .
C108 C107 H10O 111.0 . .
C108 C107 H10P 111.0 . .
C103 C108 C107 112.2 . .
C103 C108 H10Q 109.2 . .
C103 C108 H10R 109.2 . .
C107 C108 H10Q 109.2 . .
C107 C108 H10R 109.2 . .
H10Q C108 H10R 107.9 . .
C115 P1 C109 107.4(18) . .
C115 P1 C121 109.2(14) . .
C121 P1 C109 104.4(14) . .
C127 P1 C109 111.5(13) . .
C127 P1 C115 111.7(15) . .
C127 P1 C121 112.3(19) . .
C110 C109 P1 118.6(11) . .
C110 C109 C114 119.9 . .
C114 C109 P1 121.5(11) . .
C109 C110 H110 120.0 . .
C111 C110 C109 119.9 . .
C111 C110 H110 120.0 . .
C110 C111 H111 120.1 . .
C112 C111 C110 119.9 . .
C112 C111 H111 120.1 . .
C111 C112 H112 119.8 . .
C111 C112 C113 120.5 . .
C113 C112 H112 119.8 . .
C112 C113 H113 120.0 . .
C114 C113 C112 120.1 . .
C114 C113 H113 120.0 . .
C109 C114 H114 120.1 . .
C113 C114 C109 119.8 . .
C113 C114 H114 120.1 . .
C116 C115 P1 123.9(10) . .
C120 C115 P1 116.2(10) . .
C120 C115 C116 119.9 . .
C115 C116 H116 120.3 . .
C117 C116 C115 119.3 . .
C117 C116 H116 120.3 . .
C116 C117 H117 119.8 . .
C118 C117 C116 120.4 . .
C118 C117 H117 119.8 . .
C117 C118 H118 119.8 . .
C119 C118 C117 120.4 . .
C119 C118 H118 119.8 . .
C118 C119 H119 120.0 . .
C120 C119 C118 119.9 . .
C120 C119 H119 120.0 . .
C115 C120 H120 119.9 . .
C119 C120 C115 120.2 . .
C119 C120 H120 119.9 . .
C122 C121 P1 120.5(5) . .
C126 C121 P1 118.8(5) . .
C126 C121 C122 120.4 . .
C121 C122 H122 120.5 . .
C123 C122 C121 119.0 . .
C123 C122 H122 120.5 . .
C122 C123 H123 119.6 . .
C124 C123 C122 120.8 . .
C124 C123 H123 119.6 . .
C123 C124 H124 119.9 . .
C123 C124 C125 120.2 . .
C125 C124 H124 119.9 . .
C124 C125 H125 119.8 . .
C126 C125 C124 120.3 . .
C126 C125 H125 119.8 . .
C121 C126 H126 120.3 . .
C125 C126 C121 119.3 . .
C125 C126 H126 120.3 . .
C128 C127 P1 122.3(11) . .
C128 C127 C132 120.3 . .
C132 C127 P1 117.4(11) . .
C127 C128 H128 120.3 . .
C127 C128 C129 119.4 . .
C129 C128 H128 120.3 . .
C128 C129 H129 120.0 . .
C130 C129 C128 120.0 . .
C130 C129 H129 120.0 . .
C129 C130 H130 119.7 . .
C131 C130 C129 120.6 . .
C131 C130 H130 119.7 . .
C130 C131 H131 120.0 . .
C130 C131 C132 120.1 . .
C132 C131 H131 120.0 . .
C127 C132 H132 120.2 . .
C131 C132 C127 119.5 . .
C131 C132 H132 120.2 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Au1 Ag20 2.7660(11) .
Au1 Ag20 2.7660(11) 2_677
Au1 Au15 2.7838(12) 2_677
Au1 Au19 2.7674(12) 2_677
Au1 Au19 2.7674(12) .
Au1 Au21 2.7642(12) .
Au1 Au21 2.7642(12) 2_677
Au1 Ag15 2.7838(12) 2_677
Au1 Ag19 2.7674(12) 2_677
Au1 Ag19 2.7674(12) .
Au1 Ag21 2.7642(12) 2_677
Au1 Ag21 2.7642(12) .
Au2 Au22 2.7783(13) .
Au2 Au22 2.7782(13) 2_566
Au2 Au23 2.7757(12) 2_566
Au2 Au23 2.7757(12) .
Au2 Au24 2.7743(12) .
Au2 Au24 2.7743(12) 2_566
Au2 Ag22 2.7783(13) .
Au2 Ag22 2.7782(13) 2_566
Au2 Ag23 2.7757(12) 2_566
Au2 Ag23 2.7757(12) .
Au2 Ag24 2.7743(12) 2_566
Au2 Ag24 2.7743(12) .
Ag9 Au18 3.085(2) .
Ag9 Au22 3.380(2) .
Ag9 Au24 2.928(2) 2_566
Ag9 Ag18 3.085(2) .
Ag9 Ag22 3.380(2) .
Ag9 Ag24 2.928(2) 2_566
Ag9 S1 2.395(6) .
Ag9 S11 2.399(6) .
Ag11 Au22 3.0198(18) .
Ag11 Au23 2.963(2) 2_566
Ag11 Au26 3.282(2) .
Ag11 Ag22 3.0198(18) .
Ag11 Ag23 2.963(2) 2_566
Ag11 Ag26 3.282(2) .
Ag11 S9 2.392(6) .
Ag11 S16 2.393(6) .
Ag12 Au15 3.126(2) .
Ag12 Au17 3.346(2) 2_677
Ag12 Au19 2.942(2) .
Ag12 Ag15 3.126(2) .
Ag12 Ag17 3.346(2) 2_677
Ag12 Ag19 2.942(2) .
Ag12 S2 2.391(6) .
Ag12 S13 2.404(6) .
Ag14 Au18 3.255(3) 2_566
Ag14 Au25 2.960(2) .
Ag14 Au26 3.124(2) .
Ag14 Ag18 3.255(3) 2_566
Ag14 Ag25 2.960(2) .
Ag14 Ag26 3.124(2) .
Ag14 S10 2.374(6) .
Ag14 S18 2.423(7) .
Ag20 Au10 2.945(2) 2_677
Ag20 Au15 2.9222(18) .
Ag20 Au16 2.9193(18) 2_677
Ag20 Au19 2.9003(18) 2_677
Ag20 Au21 2.8611(19) 2_677
Ag20 Ag10 2.945(2) 2_677
Ag20 Ag15 2.9222(18) .
Ag20 Ag16 2.9193(18) 2_677
Ag20 Ag19 2.9003(18) 2_677
Ag20 Ag21 2.8611(19) 2_677
Ag20 S7 2.454(5) .
Au3 Ag20 3.2515(19) 2_677
Au3 Au16 3.0652(16) .
Au3 Au19 3.0876(16) .
Au3 S3 2.367(6) .
Au3 S6 2.341(6) .
Au4 Au15 3.0588(16) .
Au4 Au21 3.2187(17) 2_677
Au4 S7 2.362(7) .
Au4 S14 2.337(7) .
Au5 Au18 3.1118(18) 2_566
Au5 Au23 3.1472(19) .
Au5 Au25 3.1123(19) .
Au5 S10 2.353(6) .
Au5 S15 2.364(6) .
Au6 Au23 3.1815(17) 2_566
Au6 Au24 3.1913(17) .
Au6 Au26 3.0336(17) .
Au6 S5 2.380(6) .
Au6 S9 2.334(6) .
Au7 Au17 3.0296(17) 2_677
Au7 Au19 3.2381(19) .
Au7 Au21 3.2235(19) .
Au7 S2 2.350(6) .
Au7 S4 2.391(6) .
Au8 Au22 3.0174(19) .
Au8 Au24 3.162(2) 2_566
Au8 Au25 3.1315(19) .
Au8 S11 2.346(6) .
Au8 S17 2.367(7) .
Au10 Ag20 2.945(2) 2_677
Au10 Au16 3.1990(19) .
Au10 Au17 3.0668(18) .
Au10 S6 2.402(6) .
Au10 S8 2.398(6) .
Au13 Au16 3.083(2) .
Au13 Au21 2.916(2) 2_677
Au13 S12 2.401(6) .
Au13 S14 2.399(6) .
Au15 Au16 2.9343(17) .
Au15 Au17 2.9617(19) 2_677
Au15 Au19 2.9152(17) .
Au15 Au21 2.9274(18) 2_677
Au15 S13 2.451(5) .
Au16 Ag20 2.9194(18) 2_677
Au16 Au17 2.9063(18) .
Au16 Au19 2.9244(18) .
Au16 Au21 2.9554(16) 2_677
Au16 S12 2.438(6) .
Au17 Ag12 3.346(2) 2_677
Au17 Ag20 2.9499(17) 2_677
Au17 Au7 3.0295(17) 2_677
Au17 Au15 2.9617(19) 2_677
Au17 Au19 2.9328(17) 2_677
Au17 Au21 2.9188(17) 2_677
Au17 S8 2.479(5) .
Au18 Ag14 3.255(3) 2_566
Au18 Au5 3.1119(18) 2_566
Au18 Au22 2.9379(19) .
Au18 Au23 2.9237(16) 2_566
Au18 Au24 2.9635(19) 2_566
Au18 Au25 2.9109(18) 2_566
Au18 Au26 2.9207(18) 2_566
Au18 S1 2.466(5) .
Au19 Ag20 2.9003(18) 2_677
Au19 Au17 2.9327(17) 2_677
Au19 Au21 2.879(2) .
Au19 S3 2.468(6) .
Au21 Ag20 2.8612(19) 2_677
Au21 Au4 3.2188(17) 2_677
Au21 Au13 2.916(2) 2_677
Au21 Au15 2.9272(18) 2_677
Au21 Au16 2.9553(16) 2_677
Au21 Au17 2.9187(17) 2_677
Au21 S4 2.445(6) .
Au22 Au23 2.9580(19) 2_566
Au22 Au24 2.9291(17) 2_566
Au22 Au25 2.9248(19) .
Au22 Au26 2.9297(18) .
Au22 S16 2.481(6) .
Au23 Ag11 2.963(2) 2_566
Au23 Au6 3.1816(17) 2_566
Au23 Au18 2.9237(16) 2_566
Au23 Au22 2.9581(18) 2_566
Au23 Au24 2.8650(19) 2_566
Au23 Au25 2.8750(19) .
Au23 Au26 2.9404(19) 2_566
Au23 S15 2.471(6) .
Au24 Ag9 2.928(2) 2_566
Au24 Au8 3.162(2) 2_566
Au24 Au18 2.9636(19) 2_566
Au24 Au22 2.9291(17) 2_566
Au24 Au23 2.8649(19) 2_566
Au24 Au25 2.8821(19) 2_566
Au24 Au26 2.930(2) .
Au24 S5 2.472(5) .
Au25 Au18 2.9110(18) 2_566
Au25 Au24 2.8820(19) 2_566
Au25 Au26 2.9472(17) .
Au25 S17 2.461(6) .
Au26 Au18 2.9207(18) 2_566
Au26 Au23 2.9403(19) 2_566
Au26 S18 2.447(6) .
Ag3 Ag20 3.2515(19) 2_677
Ag3 Ag16 3.0652(16) .
Ag3 Ag19 3.0876(16) .
Ag3 S3 2.367(6) .
Ag3 S6 2.341(6) .
Ag4 Ag15 3.0588(16) .
Ag4 Ag21 3.2187(17) 2_677
Ag4 S7 2.362(7) .
Ag4 S14 2.337(7) .
Ag5 Ag18 3.1118(18) 2_566
Ag5 Ag23 3.1472(19) .
Ag5 Ag25 3.1123(19) .
Ag5 S10 2.353(6) .
Ag5 S15 2.364(6) .
Ag6 Ag23 3.1815(17) 2_566
Ag6 Ag24 3.1913(17) .
Ag6 Ag26 3.0336(17) .
Ag6 S5 2.380(6) .
Ag6 S9 2.334(6) .
Ag7 Ag17 3.0296(17) 2_677
Ag7 Ag19 3.2381(19) .
Ag7 Ag21 3.2235(19) .
Ag7 S2 2.350(6) .
Ag7 S4 2.391(6) .
Ag8 Ag22 3.0174(19) .
Ag8 Ag24 3.162(2) 2_566
Ag8 Ag25 3.1315(19) .
Ag8 S11 2.346(6) .
Ag8 S17 2.367(7) .
Ag10 Ag20 2.945(2) 2_677
Ag10 Ag16 3.1990(19) .
Ag10 Ag17 3.0668(18) .
Ag10 S6 2.402(6) .
Ag10 S8 2.398(6) .
Ag13 Ag16 3.083(2) .
Ag13 Ag21 2.916(2) 2_677
Ag13 S12 2.401(6) .
Ag13 S14 2.399(6) .
Ag15 Ag16 2.9343(17) .
Ag15 Ag17 2.9617(19) 2_677
Ag15 Ag19 2.9152(17) .
Ag15 Ag21 2.9274(18) 2_677
Ag15 S13 2.451(5) .
Ag16 Ag20 2.9194(18) 2_677
Ag16 Ag17 2.9063(18) .
Ag16 Ag19 2.9244(18) .
Ag16 Ag21 2.9554(16) 2_677
Ag16 S12 2.438(6) .
Ag17 Ag12 3.346(2) 2_677
Ag17 Ag20 2.9499(17) 2_677
Ag17 Ag7 3.0295(17) 2_677
Ag17 Ag15 2.9617(19) 2_677
Ag17 Ag19 2.9328(17) 2_677
Ag17 Ag21 2.9188(17) 2_677
Ag17 S8 2.479(5) .
Ag18 Ag14 3.255(3) 2_566
Ag18 Ag5 3.1119(18) 2_566
Ag18 Ag22 2.9379(19) .
Ag18 Ag23 2.9237(16) 2_566
Ag18 Ag24 2.9635(19) 2_566
Ag18 Ag25 2.9109(18) 2_566
Ag18 Ag26 2.9207(18) 2_566
Ag18 S1 2.466(5) .
Ag19 Ag20 2.9003(18) 2_677
Ag19 Ag17 2.9327(17) 2_677
Ag19 Ag21 2.879(2) .
Ag19 S3 2.468(6) .
Ag21 Ag20 2.8612(19) 2_677
Ag21 Ag4 3.2188(17) 2_677
Ag21 Ag13 2.916(2) 2_677
Ag21 Ag15 2.9272(18) 2_677
Ag21 Ag16 2.9553(16) 2_677
Ag21 Ag17 2.9187(17) 2_677
Ag21 S4 2.445(6) .
Ag22 Ag23 2.9580(19) 2_566
Ag22 Ag24 2.9291(17) 2_566
Ag22 Ag25 2.9248(19) .
Ag22 Ag26 2.9297(18) .
Ag22 S16 2.481(6) .
Ag23 Ag11 2.963(2) 2_566
Ag23 Ag6 3.1816(17) 2_566
Ag23 Ag18 2.9237(16) 2_566
Ag23 Ag22 2.9581(18) 2_566
Ag23 Ag24 2.8650(19) 2_566
Ag23 Ag25 2.8750(19) .
Ag23 Ag26 2.9404(19) 2_566
Ag23 S15 2.471(6) .
Ag24 Ag9 2.928(2) 2_566
Ag24 Ag8 3.162(2) 2_566
Ag24 Ag18 2.9636(19) 2_566
Ag24 Ag22 2.9291(17) 2_566
Ag24 Ag23 2.8649(19) 2_566
Ag24 Ag25 2.8821(19) 2_566
Ag24 Ag26 2.930(2) .
Ag24 S5 2.472(5) .
Ag25 Ag18 2.9110(18) 2_566
Ag25 Ag24 2.8820(19) 2_566
Ag25 Ag26 2.9472(17) .
Ag25 S17 2.461(6) .
Ag26 Ag18 2.9207(18) 2_566
Ag26 Ag23 2.9403(19) 2_566
Ag26 S18 2.447(6) .
S1 C1 1.82(2) .
S2 C7 1.89(2) .
S3 C13 1.83(3) .
S4 C19 1.81(3) .
S5 C25 1.80(3) .
S6 C31 1.84(2) .
S7 C37 1.85(3) .
S8 C43 1.88(3) .
S9 C49 1.84(3) .
S10 C55 1.81(3) .
S11 C61 1.83(2) .
S12 C67 1.82(3) .
S13 C73 1.85(3) .
S14 C79 1.81(3) .
S15 C85 1.89(3) .
S16 C91 1.659(15) .
S17 C97 1.761(13) .
S18 C103 1.805(18) .
C1 H1 0.9900 .
C1 C2 1.54(3) .
C1 C6 1.55(3) .
C2 H2A 0.9800 .
C2 H2B 0.9800 .
C2 C3 1.58(3) .
C3 H3A 0.9800 .
C3 H3B 0.9800 .
C3 C4 1.54(3) .
C4 H4A 0.9800 .
C4 H4B 0.9800 .
C4 C5 1.63(4) .
C5 H5A 0.9800 .
C5 H5B 0.9800 .
C5 C6 1.50(3) .
C6 H6A 0.9800 .
C6 H6B 0.9800 .
C7 H7 0.9900 .
C7 C8 1.52(3) .
C7 C12 1.54(3) .
C8 H8A 0.9800 .
C8 H8B 0.9800 .
C8 C9 1.54(3) .
C9 H9A 0.9800 .
C9 H9B 0.9800 .
C9 C10 1.53(4) .
C10 H10A 0.9800 .
C10 H10B 0.9800 .
C10 C11 1.59(4) .
C11 H11A 0.9800 .
C11 H11B 0.9800 .
C11 C12 1.47(3) .
C12 H12A 0.9800 .
C12 H12B 0.9800 .
C13 H13 0.9900 .
C13 C14 1.42(4) .
C13 C18 1.58(4) .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C14 C15 1.60(4) .
C15 H15A 0.9800 .
C15 H15B 0.9800 .
C15 C16 1.35(4) .
C16 H16A 0.9800 .
C16 H16B 0.9800 .
C16 C17 1.51(5) .
C17 H17A 0.9800 .
C17 H17B 0.9800 .
C17 C18 1.63(4) .
C18 H18A 0.9800 .
C18 H18B 0.9800 .
C19 H19 0.9900 .
C19 C20 1.42(4) .
C19 C24 1.33(4) .
C20 H20A 0.9800 .
C20 H20B 0.9800 .
C20 C21 1.63(4) .
C21 H21A 0.9800 .
C21 H21B 0.9800 .
C21 C22 1.45(4) .
C22 H22A 0.9800 .
C22 H22B 0.9800 .
C22 C23 1.69(4) .
C23 H23A 0.9800 .
C23 H23B 0.9800 .
C23 C24 1.57(4) .
C24 H24A 0.9800 .
C24 H24B 0.9800 .
C25 H25 0.9900 .
C25 C26 1.48(3) .
C25 C30 1.40(4) .
C26 H26A 0.9800 .
C26 H26B 0.9800 .
C26 C27 1.55(4) .
C27 H27A 0.9800 .
C27 H27B 0.9800 .
C27 C28 1.42(4) .
C28 H28A 0.9800 .
C28 H28B 0.9800 .
C28 C29 1.65(4) .
C29 H29A 0.9800 .
C29 H29B 0.9800 .
C29 C30 1.59(4) .
C30 H30A 0.9800 .
C30 H30B 0.9800 .
C31 H31 0.9900 .
C31 C32 1.56(3) .
C31 C36 1.56(3) .
C32 H32A 0.9800 .
C32 H32B 0.9800 .
C32 C33 1.53(3) .
C33 H33A 0.9800 .
C33 H33B 0.9800 .
C33 C34 1.57(3) .
C34 H34A 0.9800 .
C34 H34B 0.9800 .
C34 C35 1.49(3) .
C35 H35A 0.9800 .
C35 H35B 0.9800 .
C35 C36 1.60(3) .
C36 H36A 0.9800 .
C36 H36B 0.9800 .
C37 H37 0.9900 .
C37 C38 1.37(4) .
C37 C42 1.64(4) .
C38 H38A 0.9800 .
C38 H38B 0.9800 .
C38 C39 1.49(4) .
C39 H39A 0.9800 .
C39 H39B 0.9800 .
C39 C40 1.58(4) .
C40 H40A 0.9800 .
C40 H40B 0.9800 .
C40 C41 1.60(4) .
C41 H41A 0.9800 .
C41 H41B 0.9800 .
C41 C42 1.60(4) .
C42 H42A 0.9800 .
C42 H42B 0.9800 .
C43 H43 0.9900 .
C43 C44 1.51(3) .
C43 C48 1.46(3) .
C44 H44A 0.9800 .
C44 H44B 0.9800 .
C44 C45 1.49(4) .
C45 H45A 0.9800 .
C45 H45B 0.9800 .
C45 C46 1.54(4) .
C46 H46A 0.9800 .
C46 H46B 0.9800 .
C46 C47 1.50(4) .
C47 H47A 0.9800 .
C47 H47B 0.9800 .
C47 C48 1.49(4) .
C48 H48A 0.9800 .
C48 H48B 0.9800 .
C49 H49 0.9900 .
C49 C50 1.62(4) .
C49 C54 1.44(3) .
C50 H50A 0.9800 .
C50 H50B 0.9800 .
C50 C51 1.67(4) .
C51 H51A 0.9800 .
C51 H51B 0.9800 .
C51 C52 1.45(4) .
C52 H52A 0.9800 .
C52 H52B 0.9800 .
C52 C53 1.46(4) .
C53 H53A 0.9800 .
C53 H53B 0.9800 .
C53 C54 1.59(4) .
C54 H54A 0.9800 .
C54 H54B 0.9800 .
C55 H55 0.9900 .
C55 C56 1.51(3) .
C55 C60 1.55(3) .
C56 H56A 0.9800 .
C56 H56B 0.9800 .
C56 C57 1.56(3) .
C57 H57A 0.9800 .
C57 H57B 0.9800 .
C57 C58 1.38(4) .
C58 H58A 0.9800 .
C58 H58B 0.9800 .
C58 C59 1.52(4) .
C59 H59A 0.9800 .
C59 H59B 0.9800 .
C59 C60 1.53(3) .
C60 H60A 0.9800 .
C60 H60B 0.9800 .
C61 H61 0.9900 .
C61 C62 1.50(3) .
C61 C66 1.50(4) .
C62 H62A 0.9800 .
C62 H62B 0.9800 .
C62 C63 1.50(3) .
C63 H63A 0.9800 .
C63 H63B 0.9800 .
C63 C64 1.53(4) .
C64 H64A 0.9800 .
C64 H64B 0.9800 .
C64 C65 1.47(4) .
C65 H65A 0.9800 .
C65 H65B 0.9800 .
C65 C66 1.50(3) .
C66 H66A 0.9800 .
C66 H66B 0.9800 .
C67 H67 0.9900 .
C67 C68 1.47(3) .
C67 C72 1.61(3) .
C68 H68A 0.9800 .
C68 H68B 0.9800 .
C68 C69 1.66(3) .
C69 H69A 0.9800 .
C69 H69B 0.9800 .
C69 C70 1.51(4) .
C70 H70A 0.9800 .
C70 H70B 0.9800 .
C70 C71 1.54(4) .
C71 H71A 0.9800 .
C71 H71B 0.9800 .
C71 C72 1.59(4) .
C72 H72A 0.9800 .
C72 H72B 0.9800 .
C73 H73 0.9900 .
C73 C74 1.45(4) .
C73 C78 1.49(3) .
C74 H74A 0.9800 .
C74 H74B 0.9800 .
C74 C75 1.52(3) .
C75 H75A 0.9800 .
C75 H75B 0.9800 .
C75 C76 1.51(4) .
C76 H76A 0.9800 .
C76 H76B 0.9800 .
C76 C77 1.53(4) .
C77 H77A 0.9800 .
C77 H77B 0.9800 .
C77 C78 1.53(4) .
C78 H78A 0.9800 .
C78 H78B 0.9800 .
C79 H79 0.9900 .
C79 C80 1.50(4) .
C79 C84 1.71(4) .
C80 H80A 0.9800 .
C80 H80B 0.9800 .
C80 C81 1.62(4) .
C81 H81A 0.9800 .
C81 H81B 0.9800 .
C81 C82 1.62(4) .
C82 H82A 0.9800 .
C82 H82B 0.9800 .
C82 C83 1.46(4) .
C83 H83A 0.9800 .
C83 H83B 0.9800 .
C83 C84 1.60(4) .
C84 H84A 0.9800 .
C84 H84B 0.9800 .
C85 H85 0.9900 .
C85 C86 1.66(4) .
C85 C90 1.61(4) .
C86 H86A 0.9800 .
C86 H86B 0.9800 .
C86 C87 1.75(4) .
C87 H87A 0.9800 .
C87 H87B 0.9800 .
C87 C88 1.31(5) .
C88 H88A 0.9800 .
C88 H88B 0.9800 .
C88 C89 1.35(5) .
C89 H89A 0.9800 .
C89 H89B 0.9800 .
C89 C90 1.73(4) .
C90 H90A 0.9800 .
C90 H90B 0.9800 .
C92 H92A 0.9800 .
C92 H92B 0.9800 .
C92 C93 1.5043 .
C92 C91 1.3733 .
C93 H93A 0.9800 .
C93 H93B 0.9800 .
C93 C94 1.5193 .
C94 H94A 0.9800 .
C94 H94B 0.9800 .
C94 C95 1.3651 .
C95 H95A 0.9800 .
C95 H95B 0.9800 .
C95 C96 1.8264 .
C96 H96A 0.9800 .
C96 H96B 0.9800 .
C96 C91 1.6453 .
C91 H91 0.9900 .
C97 H97 0.9900 .
C97 C98 1.5770 .
C97 C102 1.5864 .
C98 H98A 0.9800 .
C98 H98B 0.9800 .
C98 C99 1.5852 .
C99 H99A 0.9800 .
C99 H99B 0.9800 .
C99 C100 1.5349 .
C100 H10C 0.9800 .
C100 H10D 0.9800 .
C100 C101 1.6514 .
C101 H10E 0.9800 .
C101 H10F 0.9800 .
C101 C102 1.5413 .
C102 H10G 0.9800 .
C102 H10H 0.9800 .
C103 H103 0.9900 .
C103 C104 1.5042 .
C103 C108 1.3733 .
C104 H10I 0.9800 .
C104 H10J 0.9800 .
C104 C105 1.5197 .
C105 H10K 0.9800 .
C105 H10L 0.9800 .
C105 C106 1.3669 .
C106 H10M 0.9800 .
C106 H10N 0.9800 .
C106 C107 1.8253 .
C107 H10O 0.9800 .
C107 H10P 0.9800 .
C107 C108 1.6446 .
C108 H10Q 0.9800 .
C108 H10R 0.9800 .
P1 C109 1.86(2) .
P1 C115 1.79(2) .
P1 C121 1.83(4) .
P1 C127 1.71(4) .
C109 C110 1.3926 .
C109 C114 1.3995 .
C110 H110 0.9400 .
C110 C111 1.3899 .
C111 H111 0.9400 .
C111 C112 1.3837 .
C112 H112 0.9400 .
C112 C113 1.3878 .
C113 H113 0.9400 .
C113 C114 1.3830 .
C114 H114 0.9400 .
C115 C116 1.3974 .
C115 C120 1.3971 .
C116 H116 0.9400 .
C116 C117 1.3912 .
C117 H117 0.9400 .
C117 C118 1.3843 .
C118 H118 0.9400 .
C118 C119 1.3843 .
C119 H119 0.9400 .
C119 C120 1.3832 .
C120 H120 0.9400 .
C121 C122 1.4004 .
C121 C126 1.3997 .
C122 H122 0.9400 .
C122 C123 1.3907 .
C123 H123 0.9400 .
C123 C124 1.3780 .
C124 H124 0.9400 .
C124 C125 1.3893 .
C125 H125 0.9400 .
C125 C126 1.3887 .
C126 H126 0.9400 .
C127 C128 1.3916 .
C127 C132 1.4048 .
C128 H128 0.9400 .
C128 C129 1.3966 .
C129 H129 0.9400 .
C129 C130 1.3901 .
C130 H130 0.9400 .
C130 C131 1.3838 .
C131 H131 0.9400 .
C131 C132 1.3892 .
C132 H132 0.9400 .
