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

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
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data_1
_database_code_depnum_ccdc_archive 'CCDC 2045434'
loop_
_audit_author_name
_audit_author_address
'Sha Yang'
;Anhui University
China
;
_audit_update_record             
;
2020-11-19 deposited with the CCDC.	2021-09-10 downloaded from the CCDC.
;
_audit_creation_date             2020-07-30
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2016/4
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C174 H238 Au27 Cd Cl Fe P2 S14'
_chemical_formula_sum            'C174 H238 Au27 Cd Cl Fe P2 S14'
_chemical_formula_weight         8362.21
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -4.4197 7.2980 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cd Cd 0.1185 4.6533 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Fe Fe -1.1336 3.1974 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   18.1614(8)
_cell_length_b                   20.2561(9)
_cell_length_c                   31.4539(14)
_cell_angle_alpha                87.030(4)
_cell_angle_beta                 76.077(3)
_cell_angle_gamma                67.765(3)
_cell_volume                     10386.2(8)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    16127
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      41.33
_cell_measurement_theta_min      3.46
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    38.035
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    2.674
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             7520
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0891
_diffrn_reflns_av_unetI/netI     0.1496
_diffrn_reflns_Laue_measured_fraction_full 0.971
_diffrn_reflns_Laue_measured_fraction_max 0.971
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            72576
_diffrn_reflns_point_group_measured_fraction_full 0.971
_diffrn_reflns_point_group_measured_fraction_max 0.971
_diffrn_reflns_theta_full        62.497
_diffrn_reflns_theta_max         62.497
_diffrn_reflns_theta_min         3.461
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.971
_diffrn_measured_fraction_theta_max 0.971
_diffrn_measurement_device_type  'STOE STADIVARI'
_diffrn_measurement_method       ?
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54186
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                17020
_reflns_number_total             32175
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         3.783
_refine_diff_density_min         -2.754
_refine_diff_density_rms         0.408
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.937
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1231
_refine_ls_number_reflns         32175
_refine_ls_number_restraints     555
_refine_ls_R_factor_all          0.1186
_refine_ls_R_factor_gt           0.0742
_refine_ls_restrained_S_all      0.931
_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)+(0.1015P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1949
_refine_ls_wR_factor_ref         0.2091
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2. Restrained distances
 C0EA-C1AA
 1.53 with sigma of 0.01
 C1AA-C0AA
 1.53 with sigma of 0.01
 C0AA-C6CA
 1.53 with sigma of 0.01
 C6CA-C8EA
 1.53 with sigma of 0.01
 C8EA-C82
 1.53 with sigma of 0.01
 C82-C0EA
 1.53 with sigma of 0.01
 C0EA-C0AA
 2.5 with sigma of 0.01
 C1AA-C6CA
 2.5 with sigma of 0.01
 C0AA-C8EA
 2.5 with sigma of 0.01
 C6CA-C82
 2.5 with sigma of 0.01
 C8EA-C0EA
 2.5 with sigma of 0.01
 C82-C1AA
 2.5 with sigma of 0.01
 C0EA-C6CA
 2.9 with sigma of 0.01
 C1AA-C8EA
 2.9 with sigma of 0.01
 C0AA-C82
 2.9 with sigma of 0.01
 C1EA-C02O
 1.53 with sigma of 0.01
 C5CA-C02O
 1.53 with sigma of 0.01
 C1CA-C02O
 1.53 with sigma of 0.01
 C5CA-C1EA
 2.5 with sigma of 0.01
 C5CA-C1CA
 2.5 with sigma of 0.01
 C1CA-C1EA
 2.5 with sigma of 0.01
 C02O-C0AA
 2.5 with sigma of 0.01
 C02O-C8EA
 2.5 with sigma of 0.01
 C02O-C0EA
 2.5 with sigma of 0.01
 C02O-C1AA
 2.9 with sigma of 0.01
 C02O-C82
 2.9 with sigma of 0.01
 C02O-C6CA
 2.9 with sigma of 0.01
 C5CA-C0EA
 1.53 with sigma of 0.01
 C1EA-C0AA
 1.53 with sigma of 0.01
 C8EA-C1CA
 1.53 with sigma of 0.01
 C2AA-C0DA
 1.53 with sigma of 0.01
 C3AA-C2AA
 1.53 with sigma of 0.01
 C2AA-C100
 1.53 with sigma of 0.01
 C147-C0DA
 1.53 with sigma of 0.01
 C0DA-C3AA
 2.5 with sigma of 0.01
 C0DA-C100
 2.5 with sigma of 0.01
 C3AA-C100
 2.5 with sigma of 0.01
 C147-C101
 1.53 with sigma of 0.01
 C119-C101
 1.53 with sigma of 0.01
 C195-C119
 1.53 with sigma of 0.01
 C97-C195
 1.53 with sigma of 0.01
 C97-C3EA
 1.53 with sigma of 0.01
 C3EA-C147
 1.53 with sigma of 0.01
 C147-C119
 2.5 with sigma of 0.01
 C101-C195
 2.5 with sigma of 0.01
 C119-C97
 2.5 with sigma of 0.01
 C195-C3EA
 2.5 with sigma of 0.01
 C97-C147
 2.5 with sigma of 0.01
 C3EA-C101
 2.5 with sigma of 0.01
 C147-C195
 2.9 with sigma of 0.01
 C101-C97
 2.9 with sigma of 0.01
 C119-C3EA
 2.9 with sigma of 0.01
 C0DA-C101
 2.5 with sigma of 0.01
 C119-C3AA
 1.53 with sigma of 0.01
 C3AA-C101
 2.5 with sigma of 0.01
 C97-C100
 1.53 with sigma of 0.01
 C195-C100
 2.5 with sigma of 0.01
 C2AA-C195
 2.9 with sigma of 0.01
 C9EA-C4DA
 1.53 with sigma of 0.01
 C4DA-C75
 2.5 with sigma of 0.01
 C75-C3DA
 2.9 with sigma of 0.01
 C3DA-C9EA
 2.5 with sigma of 0.01
 C3DA-C98
 2.5 with sigma of 0.01
 C2DA-C98
 2.5 with sigma of 0.01
 C2DA-C110
 2.5 with sigma of 0.01
 C5DA-C1DA
 2.5 with sigma of 0.01
 C6DA-C2DA
 2.5 with sigma of 0.01
 C5DA-C4DA
 2.5 with sigma of 0.01
 C6DA-C3DA
 2.5 with sigma of 0.01
 C3DA-C2DA
 2.5 with sigma of 0.01
 C1DA-C5DA
 2.5 with sigma of 0.01
 C4DA-C2DA
 2.9 with sigma of 0.01
 C5DA-C3DA
 2.9 with sigma of 0.01
 C6DA-C1DA
 2.9 with sigma of 0.01
 C69-C65
 1.53 with sigma of 0.01
 C91-C02L
 1.53 with sigma of 0.01
 C60-C022
 1.53 with sigma of 0.01
 C69-C51
 1.53 with sigma of 0.01
 C91-C51
 1.53 with sigma of 0.01
 C91-C73
 1.53 with sigma of 0.01
 C73-C022
 1.53 with sigma of 0.01
 C57-C022
 1.53 with sigma of 0.01
 C69-C57
 1.53 with sigma of 0.01
 C69-C91
 2.5 with sigma of 0.01
 C51-C73
 2.5 with sigma of 0.01
 C91-C022
 2.5 with sigma of 0.01
 C73-C57
 2.5 with sigma of 0.01
 C022-C69
 2.5 with sigma of 0.01
 C57-C51
 2.5 with sigma of 0.01
 C69-C73
 2.9 with sigma of 0.01
 C51-C022
 2.9 with sigma of 0.01
 C91-C57
 2.9 with sigma of 0.01
 C4EA-C0CA
 1.53 with sigma of 0.01
 C4EA-C179
 1.53 with sigma of 0.01
 C9CA-C179
 1.53 with sigma of 0.01
 C9CA-C8BA
 1.53 with sigma of 0.01
 C9BA-C8BA
 1.53 with sigma of 0.01
 C9BA-C0CA
 1.53 with sigma of 0.01
 C0CA-C179
 2.5 with sigma of 0.01
 C4EA-C9CA
 2.5 with sigma of 0.01
 C179-C8BA
 2.5 with sigma of 0.01
 C9CA-C9BA
 2.5 with sigma of 0.01
 C8BA-C0CA
 2.5 with sigma of 0.01
 C9BA-C4EA
 2.5 with sigma of 0.01
 C0CA-C9CA
 2.9 with sigma of 0.01
 C4EA-C8BA
 2.9 with sigma of 0.01
 C179-C9BA
 2.9 with sigma of 0.01
 C8CA-C4EA
 1.53 with sigma of 0.01
 C9BA-C5EA
 1.53 with sigma of 0.01
 C9CA-C4AA
 1.53 with sigma of 0.01
 C0CA-C02S
 2.9 with sigma of 0.01
 C02S-C179
 2.9 with sigma of 0.01
 C8BA-C02S
 2.9 with sigma of 0.01
 C8BA-C4AA
 2.5 with sigma of 0.01
 C8BA-C5EA
 2.5 with sigma of 0.01
 C0CA-C8CA
 2.5 with sigma of 0.01
 C179-C8CA
 2.5 with sigma of 0.01
 C8CA-C9CA
 2.9 with sigma of 0.01
 C8CA-C9BA
 2.9 with sigma of 0.01
 C4AA-C9BA
 2.9 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
Uanis(C75) \\sim Ueq, Uanis(C98) \\sim Ueq, Uanis(C3DA) \\sim Ueq, Uanis(C1DA)
\\sim Ueq, Uanis(C2DA) \\sim Ueq, Uanis(C5DA) \\sim Ueq, Uanis(C4DA) \\sim Ueq,
Uanis(C6DA) \\sim Ueq, Uanis(C9EA) \\sim Ueq, Uanis(C110) \\sim Ueq: with sigma
of 0.1 and sigma for terminal atoms of 0.2
Uanis(S00W) \\sim Ueq, Uanis(C75) \\sim Ueq, Uanis(C98) \\sim Ueq, Uanis(C3DA)
\\sim Ueq, Uanis(C1DA) \\sim Ueq, Uanis(C2DA) \\sim Ueq, Uanis(C5DA) \\sim Ueq,
Uanis(C4DA) \\sim Ueq, Uanis(C6DA) \\sim Ueq, Uanis(C9EA) \\sim Ueq,
Uanis(C110) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.01
Uanis(C038) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.01
Uanis(S00U) \\sim Ueq, Uanis(C01B) \\sim Ueq, Uanis(C02A) \\sim Ueq,
Uanis(C02D) \\sim Ueq, Uanis(C03F) \\sim Ueq, Uanis(C66) \\sim Ueq, Uanis(C70)
\\sim Ueq, Uanis(C4BA) \\sim Ueq, Uanis(C76) \\sim Ueq, Uanis(C9DA) \\sim Ueq,
Uanis(C6EA) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.01
Uanis(C01F) \\sim Ueq, Uanis(C01J) \\sim Ueq, Uanis(C01M) \\sim Ueq,
Uanis(C01O) \\sim Ueq, Uanis(C01V) \\sim Ueq, Uanis(C020) \\sim Ueq,
Uanis(C023) \\sim Ueq, Uanis(C02B) \\sim Ueq, Uanis(C71) \\sim Ueq, Uanis(C5BA)
\\sim Ueq, Uanis(S012) \\sim Ueq: with sigma of 0.01 and sigma for terminal
atoms of 0.01
Uanis(S018) = Uanis(C3AA) = Uanis(C2AA) = Uanis(C97) = Uanis(C0DA) =
Uanis(C3EA) = Uanis(C100) = Uanis(C101) = Uanis(C119) = Uanis(C147) =
Uanis(C195)
Uanis(S011) = Uanis(C02O) = Uanis(C1AA) = Uanis(C82) = Uanis(C0AA) =
Uanis(C6CA) = Uanis(C5CA) = Uanis(C0EA) = Uanis(C1EA) = Uanis(C8EA) =
Uanis(C1CA)
Uanis(C025) = Uanis(C02N) = Uanis(C02P) = Uanis(C02T) = Uanis(C02Z) =
Uanis(C033) = Uanis(C03D) = Uanis(C47) = Uanis(C72) = Uanis(C99) = Uanis(S015)
Uanis(S010) = Uanis(C01E) = Uanis(C01I) = Uanis(C01W) = Uanis(C01Z) =
Uanis(C02F) = Uanis(C40) = Uanis(C74) = Uanis(C93) = Uanis(C88) = Uanis(C94)
Uanis(S016) = Uanis(C4AA) = Uanis(C0CA) = Uanis(C8BA) = Uanis(C9CA) =
Uanis(C8CA) = Uanis(C4EA) = Uanis(C179) = Uanis(C02S) = Uanis(C9BA) =
Uanis(C5EA)
Uanis(P013) = Uanis(C2BA) = Uanis(C032) = Uanis(C01N) = Uanis(C01T) =
Uanis(C3BA) = Uanis(C68)
Uanis(C029) = Uanis(C02Q) = Uanis(C64) = Uanis(C80) = Uanis(C4CA) = Uanis(C56)
= Uanis(P013)
Uanis(S00Y) = Uanis(C01G) = Uanis(C02C) = Uanis(C02Y) = Uanis(C44) = Uanis(C48)
= Uanis(C59) = Uanis(C63) = Uanis(C77) = Uanis(C83) = Uanis(C1BA)
Uanis(C02G) = Uanis(C02V) = Uanis(C02W) = Uanis(C78) = Uanis(C81) = Uanis(C89)
= Uanis(C92) = Uanis(C7DA) = Uanis(C8DA) = Uanis(C90)
Uanis(S019) = Uanis(C01R) = Uanis(C87) = Uanis(C61) = Uanis(C9AA) = Uanis(C5AA)
= Uanis(C7AA) = Uanis(C6AA) = Uanis(C3CA) = Uanis(C2CA) = Uanis(C8AA)
Uanis(S014) = Uanis(C01P) = Uanis(C02R) = Uanis(C02U) = Uanis(C037) =
Uanis(C03C) = Uanis(C31) = Uanis(C62) = Uanis(C7BA) = Uanis(C79) = Uanis(C7EA)
Uanis(S00V) = Uanis(C01X) = Uanis(C024) = Uanis(C02H) = Uanis(C02J) =
Uanis(C55) = Uanis(C85) = Uanis(C86) = Uanis(C95) = Uanis(C96) = Uanis(C0BA)
Uanis(S00W) = Uanis(C75) = Uanis(C98) = Uanis(C3DA) = Uanis(C1DA) = Uanis(C2DA)
= Uanis(C5DA) = Uanis(C4DA) = Uanis(C6DA) = Uanis(C9EA) = Uanis(C110)
4. Rigid body (RIGU) restrains
 P017, C02K, C2EA, C02I, C6BA, C02M, C01L
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 C02E, C01K, C026, C01Q, C021, P017
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 P017, C02X, C038, C027, C7CA, C84, C01Y
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 C01H, C022, C02L, C51, C57, C60, C65, C69, C73, C91, S00Z
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
5.a Ternary CH refined with riding coordinates:
 C01I(H01I), C01V(H01V), C022(H022), C023(H023), C02B(H02I), C02D(H02L),
 C02J(H02N), C02N(H02S), C02P(H02T), C02R(H02V), C02T(H02W), C03C(H03F),
 C40(H40), C44(H44), C55(H55), C69(H69), C74(H74), C77(H77), C81(H81), C83(H83),
  C87(H87), C89(H89), C91(H91), C96(H96), C7BA(H7BA), C4BA(H4BA), C7AA(H7AA),
 C0AA(H0AB), C3CA(H3CA), C9BA(H9BA), C97(H97), C1DA(H1DA), C5DA(H5DA),
 C7DA(H7DA), C9CA(H9CA), C4DA(H4DA), C9DA(H9DA), C0EA(H0EA), C4EA(H4EA),
 C8EA(H8EA), C119(H119), C147(H147)
5.b Secondary CH2 refined with riding coordinates:
 C01E(H01A,H01B), C01F(H01C,H01D), C01G(H01E,H01F), C01J(H01G,H01H), C01O(H01J,
 H01L), C01P(H01M,H01N), C01R(H01O,H01P), C01W(H01R,H01T), C01X(H01U,H01W),
 C01Z(H01X,H01Y), C020(H02A,H02B), C024(H02C,H02D), C025(H02E,H02F), C02A(H02G,
 H02H), C02C(H02J,H02K), C02L(H02P,H02Q), C02U(H02X,H02Y), C02V(H02Z,H),
 C02W(H02,HA), C02Y(H0AA,HB), C02Z(H1AA,HC), C033(H03A,H03B), C037(H03C,H03D),
 C03F(H03G,H03H), C47(H47A,H47B), C48(H48A,H48B), C51(H51A,H51B), C57(H57A,
 H57B), C60(H60A,H60B), C63(H63A,H63B), C65(H65A,H65B), C66(H66A,H66B),
 C71(H71A,H71B), C72(H72A,H72B), C73(H73A,H73B), C78(H78A,H78B), C85(H85A,H85B),
  C86(H86A,H86B), C90(H90A,H90B), C92(H92A,H92B), C93(H93A,H93B), C94(H94A,
 H94B), C95(H95A,H95B), C99(H99A,H99B), C61(H61A,H61B), C62(H62A,H62B),
 C3AA(H3AA,H3AB), C8AA(H8AA,H8AB), C70(H70A,H70B), C9AA(H9AA,H9AB), C76(H76A,
 H76B), C79(H79A,H79B), C1AA(H1AB,H1AC), C82(H82A,H82B), C1BA(H1BA,H1BB),
 C88(H88A,H88B), C5BA(H5BA,H5BB), C0BA(H0BA,H0BB), C6AA(H6AA,H6AB), C98(H98A,
 H98B), C4AA(H4AA,H4AB), C0CA(H0CA,H0CB), C8BA(H8BA,H8BB), C2CA(H2CA,H2CB),
 C3DA(H3DA,H3DB), C2DA(H2DA,H2DB), C6CA(H6CA,H6CB), C8DA(H8DA,H8DB), C5CA(H5CA,
 H5CB), C8CA(H8CA,H8CB), C0DA(H0DA,H0DB), C6DA(H6DA,H6DB), C1EA(H1EA,H1EB),
 C5EA(H5EA,H5EB), C6EA(H6EA,H6EB), C3EA(H3EA,H3EB), C7EA(H7EA,H7EB), C9EA(H9EA,
 H9EB), C1CA(H1CA,H1CB), C100(H10A,H10B), C101(H10C,H10D), C110(H11A,H11B),
 C195(H19A,H19B), C179(H17A,H17B)
5.c Aromatic/amide H refined with riding coordinates:
 C01K(H01K), C01Q(H01Q), C01S(H01S), C021(H021), C026(H026), C029(H029),
 C02I(H02M), C02K(H02O), C02M(H02R), C02Q(H02U), C01Y(H01Z), C84(H84),
 C7CA(H7CA), C027(H027), C038(H038), C030(H030), C034(H034), C03A(H03E),
 C64(H64), C80(H80), C032(H032), C01N(H01), C01T(H2AA), C3BA(H3BA), C2BA(H2BA),
 C6BA(H6BA), C4CA(H4CA), C2EA(H2EA)
5.d Fitted hexagon refined as free rotating group:
 C02X(C01Y,C84,C7CA,C027,C038), C68(C032,C01N,C01T,C3BA,C2BA)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au01 Au 0.40742(7) 0.35152(7) 0.77556(4) 0.0356(3) Uani 1 1 d . . . . .
Au02 Au 0.58562(8) 0.13901(6) 0.71694(4) 0.0363(3) Uani 1 1 d . . . . .
Au03 Au 0.41733(8) 0.22015(7) 0.74235(4) 0.0385(3) Uani 1 1 d . . . . .
Au04 Au 0.26655(8) 0.32319(7) 0.77841(4) 0.0379(3) Uani 1 1 d . . . . .
Au05 Au 0.54863(8) 0.28977(7) 0.70632(4) 0.0393(3) Uani 1 1 d . . . . .
Au06 Au 0.37761(8) 0.25231(7) 0.83420(4) 0.0392(3) Uani 1 1 d . . . . .
Au07 Au 0.37157(8) 0.34321(7) 0.69400(4) 0.0391(3) Uani 1 1 d . . . . .
Au08 Au 0.55125(8) 0.23639(7) 0.78980(4) 0.0408(3) Uani 1 1 d . . . . .
Au09 Au 0.50305(8) 0.20779(7) 0.65152(4) 0.0408(3) Uani 1 1 d . . . . .
Au0A Au 0.45524(8) 0.34979(7) 0.85094(4) 0.0416(3) Uani 1 1 d . . . . .
Au0B Au 0.28114(8) 0.39499(7) 0.84852(4) 0.0413(3) Uani 1 1 d . . . . .
Au0C Au 0.44407(8) 0.43592(7) 0.70936(4) 0.0412(3) Uani 1 1 d . . . . .
Au0D Au 0.28107(8) 0.45867(7) 0.75168(4) 0.0418(3) Uani 1 1 d . . . . .
Au0E Au 0.62554(8) 0.07175(7) 0.63653(4) 0.0427(3) Uani 1 1 d . . . . .
Au0F Au 0.54226(8) 0.38646(7) 0.77253(4) 0.0431(3) Uani 1 1 d . . . . .
Au0G Au 0.66844(8) 0.18749(7) 0.64485(4) 0.0412(3) Uani 1 1 d . . . . .
Au0H Au 0.48804(8) 0.10684(7) 0.79193(4) 0.0429(3) Uani 1 1 d . . . . .
Au0I Au 0.47280(8) 0.08695(7) 0.70290(4) 0.0427(3) Uani 1 1 d . . . . .
Au0J Au 0.65413(8) 0.09059(7) 0.78641(4) 0.0454(3) Uani 1 1 d . . . . .
Au0K Au 0.70561(8) 0.18625(7) 0.72955(4) 0.0453(3) Uani 1 1 d . . . . .
Au0L Au 0.27938(8) 0.18841(7) 0.71548(4) 0.0453(3) Uani 1 1 d . . . . .
Au0M Au 0.38566(8) 0.48138(7) 0.81100(4) 0.0456(3) Uani 1 1 d . . . . .
Au0N Au 0.74466(8) 0.04766(7) 0.69511(4) 0.0455(3) Uani 1 1 d . . . . .
Au0O Au 0.60863(9) -0.00145(7) 0.73620(5) 0.0473(3) Uani 1 1 d . . . . .
Au0P Au 0.73680(9) 0.31848(8) 0.73236(5) 0.0493(3) Uani 1 1 d . . . . .
Au0Q Au 0.62140(9) 0.36137(7) 0.63780(4) 0.0487(3) Uani 1 1 d . . . . .
Au0R Au 0.60078(9) 0.21304(8) 0.87380(5) 0.0534(4) Uani 1 1 d . . . . .
Cd0S Cd 0.17637(15) 0.58034(13) 0.84196(8) 0.0515(6) Uani 1 1 d . . . . .
Fe00 Fe 0.8670(3) -0.0888(3) 0.57472(17) 0.0499(13) Uani 1 1 d . . . . .
S00U S 0.3810(5) 0.2796(4) 0.6301(2) 0.0416(18) Uani 1 1 d . U . . .
S00V S 0.4049(5) 0.1395(4) 0.8646(3) 0.0491(16) Uani 1 1 d . . . . .
S00W S 0.3100(6) 0.6000(5) 0.8344(3) 0.065(2) Uani 1 1 d . U . . .
S00X S 0.5137(5) 0.4712(5) 0.6447(3) 0.050(2) Uani 1 1 d . . . . .
S00Y S 0.7402(6) 0.2609(5) 0.6153(3) 0.0546(17) Uani 1 1 d . . . . .
S00Z S 0.3715(5) 0.0934(4) 0.6680(3) 0.050(2) Uani 1 1 d . U . . .
S010 S 0.1556(5) 0.5543(4) 0.7675(3) 0.0500(16) Uani 1 1 d . . . . .
S011 S 0.5180(6) 0.3206(6) 0.9094(3) 0.068(2) Uani 1 1 d . . . . .
S012 S 0.6484(5) 0.4305(4) 0.7570(3) 0.0476(19) Uani 1 1 d . U . . .
P013 P 0.6732(6) 0.0036(5) 0.5722(3) 0.0549(17) Uani 1 1 d . . . . .
S014 S 0.1746(5) 0.2793(5) 0.7615(3) 0.0548(17) Uani 1 1 d . . . . .
S015 S 0.1750(5) 0.4814(5) 0.8969(3) 0.0484(16) Uani 1 1 d . . . . .
S016 S 0.8317(6) 0.2049(6) 0.7097(3) 0.067(2) Uani 1 1 d . . . . .
P017 P 0.8727(5) -0.0393(5) 0.6753(3) 0.052(2) Uani 1 1 d . U . . .
S018 S 0.7010(7) 0.1028(6) 0.8485(4) 0.083(2) Uani 1 1 d . . . . .
S019 S 0.6480(7) -0.1233(5) 0.7260(3) 0.068(2) Uani 1 1 d . . . . .
Cl01 Cl 0.0600(7) 0.6942(6) 0.8679(4) 0.085(3) Uani 1 1 d . . . . .
C01B C 0.3936(16) 0.3363(14) 0.5840(8) 0.029(6) Uani 1 1 d . U . . .
C01E C 0.188(2) 0.5888(17) 0.6825(10) 0.0500(16) Uani 1 1 d . . . . .
H01A H 0.144096 0.576698 0.677801 0.060 Uiso 1 1 calc R . . . .
H01B H 0.237747 0.545858 0.677407 0.060 Uiso 1 1 calc R . . . .
C01F C 0.607(2) 0.5191(19) 0.8303(12) 0.061(10) Uani 1 1 d . U . . .
H01C H 0.610379 0.556233 0.809967 0.073 Uiso 1 1 calc R . . . .
H01D H 0.552581 0.518949 0.836179 0.073 Uiso 1 1 calc R . . . .
C01G C 0.698(2) 0.2408(18) 0.5378(10) 0.0546(17) Uani 1 1 d . . . . .
H01E H 0.698532 0.194271 0.547520 0.065 Uiso 1 1 calc R . . . .
H01F H 0.642699 0.276058 0.548417 0.065 Uiso 1 1 calc R . . . .
C01H C 0.344(2) 0.0129(17) 0.6828(10) 0.048(4) Uani 1 1 d . U . . .
C01I C 0.246(2) 0.6980(17) 0.7021(10) 0.0500(16) Uani 1 1 d . . . . .
H01I H 0.288289 0.711589 0.708482 0.060 Uiso 1 1 calc R . . . .
C01J C 0.770(2) 0.3984(19) 0.8756(11) 0.058(9) Uani 1 1 d . U . . .
H01G H 0.808133 0.351965 0.862668 0.070 Uiso 1 1 calc R . . . .
H01H H 0.783357 0.406792 0.902327 0.070 Uiso 1 1 calc R . . . .
C01K C 0.955(2) -0.1572(19) 0.6068(11) 0.060(8) Uani 1 1 d . U . . .
H01K H 1.009781 -0.162384 0.602912 0.072 Uiso 1 1 calc R . . . .
C01L C 0.902(2) -0.0863(17) 0.7221(11) 0.053(6) Uani 1 1 d . U . . .
C01M C 0.6720(18) 0.4443(16) 0.8094(9) 0.039(7) Uani 1 1 d . U . . .
C01O C 0.717(2) 0.5285(19) 0.8598(12) 0.060(9) Uani 1 1 d . U . . .
H01J H 0.723170 0.564398 0.839076 0.072 Uiso 1 1 calc R . . . .
H01L H 0.730543 0.538520 0.886279 0.072 Uiso 1 1 calc R . . . .
C01P C 0.034(2) 0.3947(19) 0.7589(11) 0.0548(17) Uani 1 1 d . . . . .
H01M H 0.000365 0.371388 0.777358 0.066 Uiso 1 1 calc R . . . .
H01N H 0.049289 0.421316 0.777421 0.066 Uiso 1 1 calc R . . . .
C01Q C 0.8378(19) -0.1774(17) 0.5992(10) 0.047(6) Uani 1 1 d . U . . .
H01Q H 0.804852 -0.195977 0.589368 0.056 Uiso 1 1 calc R . . . .
C01R C 0.504(3) -0.1065(19) 0.7910(12) 0.068(2) Uani 1 1 d . . . . .
H01O H 0.476627 -0.100273 0.767186 0.082 Uiso 1 1 calc R . . . .
H01P H 0.497993 -0.060046 0.801285 0.082 Uiso 1 1 calc R . . . .
C01S C 0.909(2) -0.0141(18) 0.5425(13) 0.073(12) Uani 1 1 d . . . . .
H01S H 0.953127 -0.006253 0.547791 0.087 Uiso 1 1 calc R . . . .
C01V C 0.6812(19) 0.4023(17) 0.8850(10) 0.047(8) Uani 1 1 d . U . . .
H01V H 0.674210 0.367867 0.907128 0.056 Uiso 1 1 calc R . . . .
C01W C 0.0929(19) 0.6823(17) 0.7354(11) 0.0500(16) Uani 1 1 d . . . . .
H01R H 0.079479 0.703429 0.764640 0.060 Uiso 1 1 calc R . . . .
H01T H 0.048370 0.668442 0.733122 0.060 Uiso 1 1 calc R . . . .
C01X C 0.282(2) 0.1330(18) 0.8301(10) 0.0491(16) Uani 1 1 d . . . . .
H01U H 0.322487 0.106066 0.804469 0.059 Uiso 1 1 calc R . . . .
H01W H 0.266298 0.183411 0.824236 0.059 Uiso 1 1 calc R . . . .
C01Z C 0.237(2) 0.6436(17) 0.7301(11) 0.0500(16) Uani 1 1 d . . . . .
H01X H 0.230157 0.659674 0.759761 0.060 Uiso 1 1 calc R . . . .
H01Y H 0.287837 0.602413 0.722722 0.060 Uiso 1 1 calc R . . . .
C020 C 0.7595(16) 0.4444(16) 0.7998(9) 0.037(7) Uani 1 1 d . U . . .
H02A H 0.799383 0.398262 0.787372 0.045 Uiso 1 1 calc R . . . .
H02B H 0.764589 0.480455 0.779032 0.045 Uiso 1 1 calc R . . . .
C021 C 0.8152(19) -0.1203(16) 0.6324(9) 0.042(5) Uani 1 1 d . U . . .
H021 H 0.762092 -0.096676 0.648921 0.050 Uiso 1 1 calc R . . . .
C022 C 0.3217(14) -0.0731(12) 0.7401(6) 0.060(5) Uani 1 1 d D U . . .
H022 H 0.326222 -0.088334 0.769794 0.072 Uiso 1 1 calc R . . . .
C023 C 0.774(2) 0.4601(16) 0.8417(10) 0.046(8) Uani 1 1 d . U . . .
H023 H 0.829231 0.460642 0.835718 0.055 Uiso 1 1 calc R . . . .
C024 C 0.249(2) 0.1695(17) 0.9075(10) 0.0491(16) Uani 1 1 d . . . . .
H02C H 0.265284 0.164242 0.935125 0.059 Uiso 1 1 calc R . . . .
H02D H 0.236393 0.218656 0.899203 0.059 Uiso 1 1 calc R . . . .
C025 C 0.0571(19) 0.4690(18) 0.8594(10) 0.0484(16) Uani 1 1 d . . . . .
H02E H 0.098602 0.436893 0.836079 0.058 Uiso 1 1 calc R . . . .
H02F H 0.044330 0.517625 0.849989 0.058 Uiso 1 1 calc R . . . .
C026 C 0.925(2) -0.197(2) 0.5861(12) 0.062(9) Uani 1 1 d . U . . .
H026 H 0.958795 -0.232798 0.565090 0.075 Uiso 1 1 calc R . . . .
C029 C 0.685(2) -0.1201(18) 0.5324(11) 0.0549(17) Uani 1 1 d . . . . .
H029 H 0.708712 -0.104120 0.506543 0.066 Uiso 1 1 calc R . . . .
C02A C 0.322(2) 0.3938(18) 0.5890(11) 0.056(9) Uani 1 1 d . U . . .
H02G H 0.311990 0.418503 0.616610 0.067 Uiso 1 1 calc R . . . .
H02H H 0.278247 0.376168 0.591486 0.067 Uiso 1 1 calc R . . . .
C02B C 0.625(2) 0.534(2) 0.8712(12) 0.064(10) Uani 1 1 d . U . . .
H02I H 0.587129 0.580900 0.884056 0.076 Uiso 1 1 calc R . . . .
C02C C 0.754(2) 0.3346(17) 0.5406(10) 0.0546(17) Uani 1 1 d . . . . .
H02J H 0.788876 0.351406 0.551902 0.065 Uiso 1 1 calc R . . . .
H02K H 0.697255 0.366818 0.551923 0.065 Uiso 1 1 calc R . . . .
C02D C 0.467(3) 0.410(2) 0.5422(14) 0.081(12) Uani 1 1 d . U . . .
H02L H 0.511565 0.427608 0.540891 0.097 Uiso 1 1 calc R . . . .
C02E C 0.8827(18) -0.1054(15) 0.6365(9) 0.038(5) Uani 1 1 d . U . . .
C02F C 0.167(2) 0.6183(17) 0.7303(11) 0.0500(16) Uani 1 1 d . . . . .
C02G C 0.550(3) 0.542(2) 0.6537(13) 0.073(4) Uani 1 1 d . . . . .
C02H C 0.321(2) 0.1171(18) 0.8707(10) 0.0491(16) Uani 1 1 d . . . . .
C02I C 0.930(2) -0.150(2) 0.7983(13) 0.069(8) Uani 1 1 d . U . . .
H02M H 0.939765 -0.172704 0.824011 0.083 Uiso 1 1 calc R . . . .
C02J C 0.178(2) 0.1490(17) 0.9112(10) 0.0491(16) Uani 1 1 d . . . . .
H02N H 0.135351 0.181238 0.934624 0.059 Uiso 1 1 calc R . . . .
C02K C 0.856(3) -0.125(3) 0.7439(15) 0.099(13) Uani 1 1 d . U . . .
H02O H 0.815145 -0.127995 0.732146 0.119 Uiso 1 1 calc R . . . .
C02L C 0.404(2) -0.0473(15) 0.6475(10) 0.052(5) Uani 1 1 d D U . . .
H02P H 0.399620 -0.032572 0.618081 0.063 Uiso 1 1 calc R . . . .
H02Q H 0.460264 -0.060937 0.649469 0.063 Uiso 1 1 calc R . . . .
C02M C 0.960(2) -0.0793(17) 0.7413(11) 0.056(7) Uani 1 1 d . U . . .
H02R H 0.990775 -0.052221 0.728606 0.067 Uiso 1 1 calc R . . . .
C02N C -0.023(2) 0.4505(18) 0.8707(10) 0.0484(16) Uani 1 1 d . . . . .
H02S H -0.043221 0.456966 0.844077 0.058 Uiso 1 1 calc R . . . .
C02O C 0.4443(11) 0.3063(11) 0.9569(5) 0.068(2) Uani 1 1 d D . . . .
C02P C -0.061(2) 0.4931(18) 0.9472(10) 0.0484(16) Uani 1 1 d . . . . .
H02T H -0.102631 0.523846 0.971498 0.058 Uiso 1 1 calc R . . . .
C02Q C 0.631(2) -0.1081(18) 0.6140(11) 0.0549(17) Uani 1 1 d . . . . .
H02U H 0.616553 -0.083633 0.640882 0.066 Uiso 1 1 calc R . . . .
C02R C 0.100(2) 0.4359(19) 0.6714(11) 0.0548(17) Uani 1 1 d . . . . .
H02V H 0.128002 0.461555 0.650775 0.066 Uiso 1 1 calc R . . . .
C02S C 0.8887(14) 0.1759(13) 0.7526(7) 0.067(2) Uani 1 1 d D . . . .
C02T C 0.0256(19) 0.3673(18) 0.9201(10) 0.0484(16) Uani 1 1 d . . . . .
H02W H 0.033818 0.317922 0.927697 0.058 Uiso 1 1 calc R . . . .
C02U C 0.155(2) 0.3847(19) 0.6954(11) 0.0548(17) Uani 1 1 d . . . . .
H02X H 0.171917 0.410851 0.713526 0.066 Uiso 1 1 calc R . . . .
H02Y H 0.203572 0.354583 0.674438 0.066 Uiso 1 1 calc R . . . .
C02V C 0.504(3) 0.580(2) 0.7020(12) 0.073(4) Uani 1 1 d . . . . .
H02Z H 0.444847 0.596027 0.706457 0.087 Uiso 1 1 calc R . . . .
H H 0.520459 0.546594 0.724526 0.087 Uiso 1 1 calc R . . . .
C02W C 0.650(2) 0.625(2) 0.6162(12) 0.073(4) Uani 1 1 d . . . . .
H02 H 0.672248 0.661765 0.614565 0.087 Uiso 1 1 calc R . . . .
HA H 0.672509 0.596220 0.588884 0.087 Uiso 1 1 calc R . . . .
C02X C 0.9520(11) -0.0075(12) 0.6489(7) 0.067(9) Uani 1 1 d . U . . .
C01Y C 1.0327(13) -0.0558(9) 0.6409(7) 0.054(6) Uani 1 1 d G U . . .
H01Z H 1.044472 -0.102087 0.650456 0.065 Uiso 1 1 calc R . . . .
C84 C 1.0958(10) -0.0349(11) 0.6187(7) 0.062(7) Uani 1 1 d G U . . .
H84 H 1.149811 -0.067247 0.613344 0.074 Uiso 1 1 calc R . . . .
C7CA C 1.0782(12) 0.0343(13) 0.6044(7) 0.067(8) Uani 1 1 d G U . . .
H7CA H 1.120443 0.048241 0.589573 0.081 Uiso 1 1 calc R . . . .
C027 C 0.9975(14) 0.0826(9) 0.6124(7) 0.059(7) Uani 1 1 d G U . . .
H027 H 0.985735 0.128889 0.602913 0.071 Uiso 1 1 calc R . . . .
C038 C 0.9344(10) 0.0617(11) 0.6347(7) 0.056(6) Uani 1 1 d G U . . .
H038 H 0.880395 0.094051 0.640025 0.067 Uiso 1 1 calc R . . . .
C02Y C 0.876(2) 0.2778(17) 0.4762(11) 0.0546(17) Uani 1 1 d . . . . .
H0AA H 0.904220 0.278280 0.445947 0.065 Uiso 1 1 calc R . . . .
HB H 0.903554 0.290476 0.495240 0.065 Uiso 1 1 calc R . . . .
C02Z C -0.0910(19) 0.5061(18) 0.9066(10) 0.0484(16) Uani 1 1 d . . . . .
H1AA H -0.099660 0.554451 0.897666 0.058 Uiso 1 1 calc R . . . .
HC H -0.142331 0.499172 0.911195 0.058 Uiso 1 1 calc R . . . .
C030 C 0.822(2) 0.0201(17) 0.5662(11) 0.049(8) Uani 1 1 d . . . . .
H030 H 0.801626 0.056638 0.587628 0.059 Uiso 1 1 calc R . . . .
C031 C 0.774(2) -0.0113(16) 0.5511(9) 0.045(8) Uani 1 1 d . . . . .
C033 C 0.0216(19) 0.5058(18) 0.9403(10) 0.0484(16) Uani 1 1 d . . . . .
H03A H 0.011091 0.555879 0.935406 0.058 Uiso 1 1 calc R . . . .
H03B H 0.041961 0.493858 0.966652 0.058 Uiso 1 1 calc R . . . .
C034 C 0.911(2) -0.0626(19) 0.5092(12) 0.065(11) Uani 1 1 d . . . . .
H034 H 0.956763 -0.088926 0.487731 0.078 Uiso 1 1 calc R . . . .
C037 C 0.092(2) 0.2956(19) 0.6980(11) 0.0548(17) Uani 1 1 d . . . . .
H03C H 0.063844 0.268031 0.716202 0.066 Uiso 1 1 calc R . . . .
H03D H 0.140516 0.262391 0.678484 0.066 Uiso 1 1 calc R . . . .
C03A C 0.8343(19) -0.0624(19) 0.5152(12) 0.061(11) Uani 1 1 d . . . . .
H03E H 0.821024 -0.091167 0.498689 0.074 Uiso 1 1 calc R . . . .
C03C C 0.033(2) 0.3465(19) 0.6694(11) 0.0548(17) Uani 1 1 d . . . . .
H03F H 0.017928 0.320585 0.649884 0.066 Uiso 1 1 calc R . . . .
C03D C 0.087(2) 0.4601(18) 0.9010(10) 0.0484(16) Uani 1 1 d . . . . .
C03F C 0.461(2) 0.3635(19) 0.5826(11) 0.057(9) Uani 1 1 d . U . . .
H03G H 0.512461 0.323515 0.580588 0.068 Uiso 1 1 calc R . . . .
H03H H 0.448712 0.391503 0.609293 0.068 Uiso 1 1 calc R . . . .
C40 C 0.099(2) 0.7436(17) 0.6993(10) 0.0500(16) Uani 1 1 d . . . . .
H40 H 0.046259 0.783998 0.702773 0.060 Uiso 1 1 calc R . . . .
C44 C 0.725(2) 0.2402(18) 0.4882(11) 0.0546(17) Uani 1 1 d . . . . .
H44 H 0.687919 0.226964 0.475442 0.065 Uiso 1 1 calc R . . . .
C47 C 0.1062(19) 0.3774(17) 0.9145(10) 0.0484(16) Uani 1 1 d . . . . .
H47A H 0.148335 0.344890 0.891588 0.058 Uiso 1 1 calc R . . . .
H47B H 0.124275 0.368944 0.941572 0.058 Uiso 1 1 calc R . . . .
C48 C 0.852(2) 0.2024(18) 0.5379(10) 0.0546(17) Uani 1 1 d . . . . .
H48A H 0.892001 0.212792 0.548900 0.065 Uiso 1 1 calc R . . . .
H48B H 0.852732 0.155889 0.547359 0.065 Uiso 1 1 calc R . . . .
C51 C 0.2852(14) -0.0885(13) 0.6566(6) 0.059(6) Uani 1 1 d D U . . .
H51A H 0.280758 -0.073421 0.627194 0.071 Uiso 1 1 calc R . . . .
H51B H 0.270199 -0.129847 0.661906 0.071 Uiso 1 1 calc R . . . .
C55 C 0.203(2) 0.1115(17) 0.8391(10) 0.0491(16) Uani 1 1 d . . . . .
H55 H 0.182819 0.118011 0.812420 0.059 Uiso 1 1 calc R . . . .
C56 C 0.657(2) -0.0775(19) 0.5729(11) 0.0549(17) Uani 1 1 d . . . . .
C57 C 0.2340(12) -0.0525(13) 0.7361(6) 0.059(5) Uani 1 1 d D U . . .
H57A H 0.197426 -0.014140 0.757295 0.070 Uiso 1 1 calc R . . . .
H57B H 0.217783 -0.093094 0.742111 0.070 Uiso 1 1 calc R . . . .
C59 C 0.764(2) 0.2613(18) 0.5550(11) 0.0546(17) Uani 1 1 d . . . . .
C60 C 0.354(2) -0.0131(16) 0.7283(10) 0.057(5) Uani 1 1 d D U . . .
H60A H 0.324093 0.026227 0.749789 0.068 Uiso 1 1 calc R . . . .
H60B H 0.411366 -0.030444 0.728651 0.068 Uiso 1 1 calc R . . . .
C63 C 0.725(2) 0.3062(17) 0.4720(11) 0.0546(17) Uani 1 1 d . . . . .
H63A H 0.669829 0.341326 0.480554 0.065 Uiso 1 1 calc R . . . .
H63B H 0.740216 0.301610 0.440200 0.065 Uiso 1 1 calc R . . . .
C64 C 0.675(2) -0.1815(19) 0.5322(11) 0.0549(17) Uani 1 1 d . . . . .
H64 H 0.682953 -0.203803 0.505492 0.066 Uiso 1 1 calc R . . . .
C65 C 0.250(2) 0.0373(15) 0.6810(12) 0.057(5) Uani 1 1 d D U . . .
H65A H 0.214811 0.075026 0.702949 0.068 Uiso 1 1 calc R . . . .
H65B H 0.242414 0.054727 0.652331 0.068 Uiso 1 1 calc R . . . .
C66 C 0.412(2) 0.2937(18) 0.5391(10) 0.050(8) Uani 1 1 d . U . . .
H66A H 0.455559 0.247421 0.538689 0.060 Uiso 1 1 calc R . . . .
H66B H 0.363438 0.286148 0.536853 0.060 Uiso 1 1 calc R . . . .
C69 C 0.2277(12) -0.0284(10) 0.6899(7) 0.062(5) Uani 1 1 d D U . . .
H69 H 0.171304 -0.016331 0.687441 0.074 Uiso 1 1 calc R . . . .
C71 C 0.622(2) 0.478(2) 0.9028(12) 0.069(11) Uani 1 1 d . U . . .
H71A H 0.566596 0.478429 0.910928 0.083 Uiso 1 1 calc R . . . .
H71B H 0.634896 0.488576 0.929103 0.083 Uiso 1 1 calc R . . . .
C72 C -0.043(2) 0.4184(17) 0.9567(10) 0.0484(16) Uani 1 1 d . . . . .
H72A H -0.092355 0.408507 0.960122 0.058 Uiso 1 1 calc R . . . .
H72B H -0.026442 0.409229 0.984220 0.058 Uiso 1 1 calc R . . . .
C73 C 0.3800(12) -0.1321(12) 0.7065(7) 0.061(5) Uani 1 1 d D U . . .
H73A H 0.366886 -0.174430 0.711986 0.073 Uiso 1 1 calc R . . . .
H73B H 0.435804 -0.144191 0.708997 0.073 Uiso 1 1 calc R . . . .
C74 C 0.2021(19) 0.6477(17) 0.6490(11) 0.0500(16) Uani 1 1 d . . . . .
H74 H 0.217535 0.625734 0.619466 0.060 Uiso 1 1 calc R . . . .
C75 C 0.3171(19) 0.620(2) 0.8918(7) 0.065(2) Uani 1 1 d D U . . .
C77 C 0.778(2) 0.3335(18) 0.4853(11) 0.0546(17) Uani 1 1 d . . . . .
H77 H 0.771637 0.380873 0.474113 0.065 Uiso 1 1 calc R . . . .
C78 C 0.626(2) 0.605(2) 0.7042(12) 0.073(4) Uani 1 1 d . . . . .
H78A H 0.644535 0.640814 0.711915 0.087 Uiso 1 1 calc R . . . .
H78B H 0.636033 0.566886 0.724364 0.087 Uiso 1 1 calc R . . . .
C80 C 0.630(2) -0.1752(19) 0.6110(11) 0.0549(17) Uani 1 1 d . . . . .
H80 H 0.611095 -0.195613 0.636458 0.066 Uiso 1 1 calc R . . . .
C81 C 0.665(3) 0.578(2) 0.6568(12) 0.073(4) Uani 1 1 d . . . . .
H81 H 0.724260 0.559395 0.654179 0.087 Uiso 1 1 calc R . . . .
C83 C 0.871(2) 0.2039(18) 0.4868(11) 0.0546(17) Uani 1 1 d . . . . .
H83 H 0.925069 0.166928 0.474798 0.065 Uiso 1 1 calc R . . . .
C85 C 0.219(2) 0.0356(17) 0.8533(10) 0.0491(16) Uani 1 1 d . . . . .
H85A H 0.257877 0.001747 0.830047 0.059 Uiso 1 1 calc R . . . .
H85B H 0.168412 0.027024 0.860251 0.059 Uiso 1 1 calc R . . . .
C86 C 0.143(2) 0.1653(17) 0.8729(10) 0.0491(16) Uani 1 1 d . . . . .
H86A H 0.136827 0.213220 0.863771 0.059 Uiso 1 1 calc R . . . .
H86B H 0.090128 0.161126 0.879094 0.059 Uiso 1 1 calc R . . . .
C87 C 0.468(3) -0.1470(19) 0.8293(11) 0.068(2) Uani 1 1 d . . . . .
H87 H 0.409432 -0.117636 0.838842 0.082 Uiso 1 1 calc R . . . .
C89 C 0.557(3) 0.654(2) 0.6289(13) 0.073(4) Uani 1 1 d . . . . .
H89 H 0.543048 0.692319 0.608098 0.087 Uiso 1 1 calc R . . . .
C90 C 0.643(2) 0.507(2) 0.6529(13) 0.073(4) Uani 1 1 d . . . . .
H90A H 0.674494 0.479287 0.625789 0.087 Uiso 1 1 calc R . . . .
H90B H 0.652556 0.476568 0.677507 0.087 Uiso 1 1 calc R . . . .
C91 C 0.3731(12) -0.1080(12) 0.6604(6) 0.059(5) Uani 1 1 d D U . . .
H91 H 0.408118 -0.148730 0.640004 0.071 Uiso 1 1 calc R . . . .
C92 C 0.515(3) 0.693(2) 0.6713(12) 0.073(4) Uani 1 1 d . . . . .
H92A H 0.538180 0.728116 0.675360 0.087 Uiso 1 1 calc R . . . .
H92B H 0.457289 0.717793 0.673278 0.087 Uiso 1 1 calc R . . . .
C93 C 0.277(2) 0.6633(17) 0.6545(10) 0.0500(16) Uani 1 1 d . . . . .
H93A H 0.289037 0.696123 0.633078 0.060 Uiso 1 1 calc R . . . .
H93B H 0.324851 0.619788 0.652088 0.060 Uiso 1 1 calc R . . . .
C94 C 0.1640(19) 0.7656(17) 0.7099(11) 0.0500(16) Uani 1 1 d . . . . .
H94A H 0.147608 0.783235 0.740199 0.060 Uiso 1 1 calc R . . . .
H94B H 0.171542 0.803175 0.691139 0.060 Uiso 1 1 calc R . . . .
C95 C 0.336(2) 0.0392(17) 0.8842(10) 0.0491(16) Uani 1 1 d . . . . .
H95A H 0.375126 0.006197 0.860677 0.059 Uiso 1 1 calc R . . . .
H95B H 0.357796 0.030135 0.910029 0.059 Uiso 1 1 calc R . . . .
C96 C 0.254(2) 0.0277(18) 0.8940(10) 0.0491(16) Uani 1 1 d . . . . .
H96 H 0.265829 -0.021827 0.902594 0.059 Uiso 1 1 calc R . . . .
C99 C -0.007(2) 0.3829(17) 0.8812(10) 0.0484(16) Uani 1 1 d . . . . .
H99A H 0.032312 0.351691 0.856878 0.058 Uiso 1 1 calc R . . . .
H99B H -0.056954 0.373638 0.886458 0.058 Uiso 1 1 calc R . . . .
C31 C 0.116(2) 0.335(2) 0.7258(11) 0.0548(17) Uani 1 1 d . . . . .
C61 C 0.639(3) -0.1628(19) 0.8146(11) 0.068(2) Uani 1 1 d . . . . .
H61A H 0.694032 -0.196454 0.802510 0.082 Uiso 1 1 calc R . . . .
H61B H 0.641683 -0.118267 0.822293 0.082 Uiso 1 1 calc R . . . .
C62 C 0.027(2) 0.4862(19) 0.7034(11) 0.0548(17) Uani 1 1 d . . . . .
H62A H 0.044509 0.508144 0.723631 0.066 Uiso 1 1 calc R . . . .
H62B H -0.007179 0.523533 0.688022 0.066 Uiso 1 1 calc R . . . .
C3AA C 0.7005(17) 0.0676(10) 0.9333(8) 0.083(2) Uani 1 1 d D . . . .
H3AA H 0.656169 0.112659 0.944132 0.100 Uiso 1 1 calc R . . . .
H3AB H 0.751818 0.074694 0.927498 0.100 Uiso 1 1 calc R . . . .
C7BA C -0.016(2) 0.4467(19) 0.7255(11) 0.0548(17) Uani 1 1 d . . . . .
H7BA H -0.065567 0.481131 0.744145 0.066 Uiso 1 1 calc R . . . .
C68 C 0.6199(12) 0.0562(11) 0.5321(6) 0.0549(17) Uani 1 1 d . . . . .
C032 C 0.6569(9) 0.0808(12) 0.4941(7) 0.0549(17) Uani 1 1 d G . . . .
H032 H 0.712102 0.073663 0.488761 0.066 Uiso 1 1 calc R . . . .
C01N C 0.6116(12) 0.1159(11) 0.4642(5) 0.0549(17) Uani 1 1 d G . . . .
H01 H 0.636368 0.132314 0.438804 0.066 Uiso 1 1 calc R . . . .
C01T C 0.5291(12) 0.1265(11) 0.4723(6) 0.0549(17) Uani 1 1 d G . . . .
H2AA H 0.498764 0.149996 0.452232 0.066 Uiso 1 1 calc R . . . .
C3BA C 0.4921(9) 0.1019(12) 0.5102(7) 0.0549(17) Uani 1 1 d G . . . .
H3BA H 0.436893 0.109027 0.515617 0.066 Uiso 1 1 calc R . . . .
C2BA C 0.5374(12) 0.0668(11) 0.5402(5) 0.0549(17) Uani 1 1 d G . . . .
H2BA H 0.512626 0.050375 0.565575 0.066 Uiso 1 1 calc R . . . .
C8AA C 0.473(3) -0.2157(19) 0.8153(12) 0.068(2) Uani 1 1 d . . . . .
H8AA H 0.440211 -0.234471 0.838071 0.082 Uiso 1 1 calc R . . . .
H8AB H 0.452735 -0.211789 0.788915 0.082 Uiso 1 1 calc R . . . .
C70 C 0.487(2) 0.364(2) 0.5018(11) 0.063(10) Uani 1 1 d . U . . .
H70A H 0.483722 0.393252 0.476391 0.076 Uiso 1 1 calc R . . . .
H70B H 0.542976 0.329126 0.497181 0.076 Uiso 1 1 calc R . . . .
C9AA C 0.506(2) -0.1416(19) 0.8674(12) 0.068(2) Uani 1 1 d . . . . .
H9AA H 0.481359 -0.160129 0.893798 0.082 Uiso 1 1 calc R . . . .
H9AB H 0.497029 -0.092437 0.873426 0.082 Uiso 1 1 calc R . . . .
C2AA C 0.6895(15) 0.0419(12) 0.8915(7) 0.083(2) Uani 1 1 d D . . . .
C4BA C 0.433(3) 0.329(3) 0.5062(19) 0.122(19) Uani 1 1 d . U . . .
H4BA H 0.448511 0.299333 0.479413 0.146 Uiso 1 1 calc R . . . .
C76 C 0.387(2) 0.473(2) 0.5490(13) 0.067(10) Uani 1 1 d . U . . .
H76A H 0.386582 0.502202 0.523781 0.081 Uiso 1 1 calc R . . . .
H76B H 0.379364 0.501467 0.574586 0.081 Uiso 1 1 calc R . . . .
C79 C 0.070(2) 0.3910(19) 0.6478(11) 0.0548(17) Uani 1 1 d . . . . .
H79A H 0.032483 0.423626 0.632082 0.066 Uiso 1 1 calc R . . . .
H79B H 0.117603 0.361451 0.625722 0.066 Uiso 1 1 calc R . . . .
C1AA C 0.3702(14) 0.3413(12) 1.0498(5) 0.068(2) Uani 1 1 d D . . . .
H1AB H 0.332787 0.338375 1.076994 0.082 Uiso 1 1 calc R . . . .
H1AC H 0.398659 0.370594 1.055660 0.082 Uiso 1 1 calc R . . . .
C5AA C 0.583(3) -0.149(2) 0.7782(12) 0.068(2) Uani 1 1 d . . . . .
C82 C 0.3878(14) 0.2211(9) 1.0240(7) 0.068(2) Uani 1 1 d D . . . .
H82A H 0.427463 0.173962 1.013186 0.082 Uiso 1 1 calc R . . . .
H82B H 0.351090 0.215697 1.050823 0.082 Uiso 1 1 calc R . . . .
C1BA C 0.810(2) 0.1874(18) 0.4720(11) 0.0546(17) Uani 1 1 d . . . . .
H1BA H 0.811624 0.140693 0.481889 0.065 Uiso 1 1 calc R . . . .
H1BB H 0.823034 0.185039 0.440247 0.065 Uiso 1 1 calc R . . . .
C7AA C 0.558(3) -0.261(2) 0.8071(12) 0.068(2) Uani 1 1 d . . . . .
H7AA H 0.564064 -0.309337 0.799846 0.082 Uiso 1 1 calc R . . . .
C88 C 0.1296(19) 0.7066(17) 0.6514(10) 0.0500(16) Uani 1 1 d . . . . .
H88A H 0.088325 0.691684 0.645214 0.060 Uiso 1 1 calc R . . . .
H88B H 0.138856 0.740380 0.629798 0.060 Uiso 1 1 calc R . . . .
C5BA C 0.662(2) 0.385(2) 0.8441(12) 0.070(11) Uani 1 1 d . U . . .
H5BA H 0.606222 0.386498 0.850489 0.084 Uiso 1 1 calc R . . . .
H5BB H 0.699067 0.337717 0.832266 0.084 Uiso 1 1 calc R . . . .
C0BA C 0.193(2) 0.0717(17) 0.9297(10) 0.0491(16) Uani 1 1 d . . . . .
H0BA H 0.213870 0.066256 0.955990 0.059 Uiso 1 1 calc R . . . .
H0BB H 0.143886 0.061462 0.936003 0.059 Uiso 1 1 calc R . . . .
C6AA C 0.609(3) -0.2325(18) 0.7637(11) 0.068(2) Uani 1 1 d . . . . .
H6AA H 0.668062 -0.258245 0.758909 0.082 Uiso 1 1 calc R . . . .
H6AB H 0.592369 -0.236997 0.737377 0.082 Uiso 1 1 calc R . . . .
C0AA C 0.3222(12) 0.3756(8) 1.0158(7) 0.068(2) Uani 1 1 d D . . . .
H0AB H 0.282385 0.423423 1.026479 0.082 Uiso 1 1 calc R . . . .
C6BA C 0.972(3) -0.114(3) 0.7799(15) 0.106(14) Uani 1 1 d . U . . .
H6BA H 1.011846 -0.110682 0.792693 0.127 Uiso 1 1 calc R . . . .
C98 C 0.401(2) 0.6213(15) 0.8882(6) 0.065(2) Uani 1 1 d D U . . .
H98A H 0.442718 0.574377 0.879276 0.078 Uiso 1 1 calc R . . . .
H98B H 0.410617 0.655007 0.866836 0.078 Uiso 1 1 calc R . . . .
C4AA C 0.8356(15) 0.2046(12) 0.7958(8) 0.067(2) Uani 1 1 d D . . . .
H4AA H 0.789450 0.189721 0.801395 0.080 Uiso 1 1 calc R . . . .
H4AB H 0.814395 0.256359 0.795907 0.080 Uiso 1 1 calc R . . . .
C0CA C 1.0431(9) 0.1028(11) 0.7775(7) 0.067(2) Uani 1 1 d D . . . .
H0CA H 1.080242 0.084760 0.749141 0.080 Uiso 1 1 calc R . . . .
H0CB H 1.074399 0.088853 0.799690 0.080 Uiso 1 1 calc R . . . .
C3CA C 0.602(3) -0.1894(19) 0.8509(12) 0.068(2) Uani 1 1 d . . . . .
H3CA H 0.629650 -0.191536 0.874630 0.082 Uiso 1 1 calc R . . . .
C4CA C 0.655(2) -0.2137(19) 0.5704(10) 0.0549(17) Uani 1 1 d . . . . .
H4CA H 0.657854 -0.260433 0.569559 0.066 Uiso 1 1 calc R . . . .
C9BA C 0.9769(12) 0.0712(8) 0.7866(7) 0.067(2) Uani 1 1 d D . . . .
H9BA H 1.001751 0.018890 0.785424 0.080 Uiso 1 1 calc R . . . .
C8BA C 0.9194(13) 0.0990(11) 0.8312(6) 0.067(2) Uani 1 1 d D . . . .
H8BA H 0.949627 0.083874 0.853792 0.080 Uiso 1 1 calc R . . . .
H8BB H 0.877049 0.079266 0.836826 0.080 Uiso 1 1 calc R . . . .
C2CA C 0.611(3) -0.2663(19) 0.8387(12) 0.068(2) Uani 1 1 d . . . . .
H2CA H 0.667830 -0.294795 0.825233 0.082 Uiso 1 1 calc R . . . .
H2CB H 0.593672 -0.289207 0.864888 0.082 Uiso 1 1 calc R . . . .
C97 C 0.6104(13) -0.0264(12) 0.9339(8) 0.083(2) Uani 1 1 d D . . . .
H97 H 0.558807 -0.034188 0.939658 0.100 Uiso 1 1 calc R . . . .
C3DA C 0.3898(12) 0.5902(11) 0.9668(7) 0.065(2) Uani 1 1 d D U . . .
H3DA H 0.434196 0.544101 0.959181 0.078 Uiso 1 1 calc R . . . .
H3DB H 0.390453 0.606823 0.995093 0.078 Uiso 1 1 calc R . . . .
C1DA C 0.4010(11) 0.6432(17) 0.9322(11) 0.065(2) Uani 1 1 d D U . . .
H1DA H 0.454176 0.646383 0.930435 0.078 Uiso 1 1 calc R . . . .
C2DA C 0.3336(14) 0.7175(10) 0.9473(8) 0.065(2) Uani 1 1 d D U . . .
H2DA H 0.337940 0.732799 0.974962 0.078 Uiso 1 1 calc R . . . .
H2DB H 0.339943 0.752173 0.925716 0.078 Uiso 1 1 calc R . . . .
C5DA C 0.2498(13) 0.7120(12) 0.9525(11) 0.065(2) Uani 1 1 d D U . . .
H5DA H 0.204894 0.757995 0.962155 0.078 Uiso 1 1 calc R . . . .
C6CA C 0.2785(9) 0.3299(12) 1.0056(7) 0.068(2) Uani 1 1 d D . . . .
H6CA H 0.249838 0.351460 0.983020 0.082 Uiso 1 1 calc R . . . .
H6CB H 0.238317 0.327578 1.031670 0.082 Uiso 1 1 calc R . . . .
C7DA C 0.529(3) 0.640(2) 0.7035(13) 0.073(4) Uani 1 1 d . . . . .
H7DA H 0.499653 0.665473 0.732012 0.087 Uiso 1 1 calc R . . . .
C8DA C 0.514(3) 0.608(2) 0.6200(13) 0.073(4) Uani 1 1 d . . . . .
H8DA H 0.530802 0.591603 0.589499 0.087 Uiso 1 1 calc R . . . .
H8DB H 0.454795 0.632355 0.628498 0.087 Uiso 1 1 calc R . . . .
C9CA C 0.8802(11) 0.1800(11) 0.8325(5) 0.067(2) Uani 1 1 d D . . . .
H9CA H 0.842412 0.198173 0.861070 0.080 Uiso 1 1 calc R . . . .
C5CA C 0.4925(10) 0.2744(15) 0.9919(7) 0.068(2) Uani 1 1 d D . . . .
H5CA H 0.518717 0.305444 0.997976 0.082 Uiso 1 1 calc R . . . .
H5CB H 0.534634 0.228096 0.981489 0.082 Uiso 1 1 calc R . . . .
C4DA C 0.3117(19) 0.5838(11) 0.9692(7) 0.065(2) Uani 1 1 d D U . . .
H4DA H 0.303721 0.549651 0.991304 0.078 Uiso 1 1 calc R . . . .
C9DA C 0.315(3) 0.445(3) 0.5558(16) 0.101(16) Uani 1 1 d . U . . .
H9DA H 0.261304 0.484398 0.563075 0.122 Uiso 1 1 calc R . . . .
C8CA C 0.9518(15) 0.2049(12) 0.7431(6) 0.067(2) Uani 1 1 d D . . . .
H8CA H 0.927010 0.256437 0.742540 0.080 Uiso 1 1 calc R . . . .
H8CB H 0.987516 0.186813 0.714464 0.080 Uiso 1 1 calc R . . . .
C0DA C 0.7610(16) -0.0280(13) 0.8737(6) 0.083(2) Uani 1 1 d D . . . .
H0DA H 0.812221 -0.020551 0.867457 0.100 Uiso 1 1 calc R . . . .
H0DB H 0.754697 -0.043884 0.846733 0.100 Uiso 1 1 calc R . . . .
C6DA C 0.2383(11) 0.6557(15) 0.9799(11) 0.065(2) Uani 1 1 d D U . . .
H6DA H 0.189699 0.649336 0.976510 0.078 Uiso 1 1 calc R . . . .
H6DB H 0.229126 0.669964 1.010290 0.078 Uiso 1 1 calc R . . . .
C0EA C 0.4319(11) 0.2669(12) 1.0337(6) 0.068(2) Uani 1 1 d D . . . .
H0EA H 0.461689 0.245092 1.056232 0.082 Uiso 1 1 calc R . . . .
C1EA C 0.3803(15) 0.3802(10) 0.9726(7) 0.068(2) Uani 1 1 d D . . . .
H1EA H 0.349296 0.399711 0.950640 0.082 Uiso 1 1 calc R . . . .
H1EB H 0.407171 0.411738 0.976744 0.082 Uiso 1 1 calc R . . . .
C2EA C 0.869(3) -0.157(3) 0.7811(15) 0.113(16) Uani 1 1 d . U . . .
H2EA H 0.837896 -0.183450 0.795034 0.136 Uiso 1 1 calc R . . . .
C5EA C 0.9306(17) 0.0974(19) 0.7503(7) 0.067(2) Uani 1 1 d D . . . .
H5EA H 0.968960 0.082286 0.721970 0.080 Uiso 1 1 calc R . . . .
H5EB H 0.890494 0.075673 0.752943 0.080 Uiso 1 1 calc R . . . .
C4EA C 1.0024(11) 0.1843(11) 0.7779(6) 0.067(2) Uani 1 1 d D . . . .
H4EA H 1.044382 0.205088 0.771345 0.080 Uiso 1 1 calc R . . . .
C6EA C 0.333(3) 0.408(3) 0.5065(17) 0.116(18) Uani 1 1 d . U . . .
H6EA H 0.339331 0.439747 0.483264 0.139 Uiso 1 1 calc R . . . .
H6EB H 0.289563 0.391667 0.504177 0.139 Uiso 1 1 calc R . . . .
C3EA C 0.6817(16) -0.0962(12) 0.9170(9) 0.083(2) Uani 1 1 d D . . . .
H3EA H 0.675495 -0.112906 0.890173 0.100 Uiso 1 1 calc R . . . .
H3EB H 0.681981 -0.132276 0.938523 0.100 Uiso 1 1 calc R . . . .
C7EA C -0.043(2) 0.4030(19) 0.7022(11) 0.0548(17) Uani 1 1 d . . . . .
H7EA H -0.081630 0.433444 0.685885 0.066 Uiso 1 1 calc R . . . .
H7EB H -0.071290 0.378229 0.723129 0.066 Uiso 1 1 calc R . . . .
C9EA C 0.3055(19) 0.5604(19) 0.9250(8) 0.065(2) Uani 1 1 d D U . . .
H9EA H 0.252536 0.557523 0.927471 0.078 Uiso 1 1 calc R . . . .
H9EB H 0.347948 0.514005 0.914995 0.078 Uiso 1 1 calc R . . . .
C8EA C 0.3391(13) 0.2549(11) 0.9901(6) 0.068(2) Uani 1 1 d D . . . .
H8EA H 0.309977 0.225447 0.984525 0.082 Uiso 1 1 calc R . . . .
C1CA C 0.4024(16) 0.2567(14) 0.9488(6) 0.068(2) Uani 1 1 d D . . . .
H1CA H 0.375795 0.273720 0.924848 0.082 Uiso 1 1 calc R . . . .
H1CB H 0.443017 0.208965 0.940622 0.082 Uiso 1 1 calc R . . . .
C100 C 0.6084(15) 0.0317(16) 0.9001(8) 0.083(2) Uani 1 1 d D . . . .
H10A H 0.600665 0.017291 0.873101 0.100 Uiso 1 1 calc R . . . .
H10B H 0.563408 0.076126 0.911407 0.100 Uiso 1 1 calc R . . . .
C101 C 0.7717(13) -0.0593(12) 0.9506(7) 0.083(2) Uani 1 1 d D . . . .
H10C H 0.823055 -0.052321 0.945345 0.100 Uiso 1 1 calc R . . . .
H10D H 0.772368 -0.095120 0.972333 0.100 Uiso 1 1 calc R . . . .
C110 C 0.247(2) 0.6846(19) 0.9085(11) 0.065(2) Uani 1 1 d D U . . .
H11A H 0.196908 0.675094 0.912385 0.078 Uiso 1 1 calc R . . . .
H11B H 0.244732 0.721240 0.887225 0.078 Uiso 1 1 calc R . . . .
C119 C 0.7003(15) 0.0108(12) 0.9675(6) 0.083(2) Uani 1 1 d D . . . .
H119 H 0.706459 0.026895 0.994789 0.100 Uiso 1 1 calc R . . . .
C147 C 0.7622(14) -0.0845(11) 0.9081(7) 0.083(2) Uani 1 1 d D . . . .
H147 H 0.807994 -0.129386 0.897120 0.100 Uiso 1 1 calc R . . . .
C195 C 0.6201(13) -0.0010(14) 0.9763(6) 0.083(2) Uani 1 1 d D . . . .
H19A H 0.574556 0.043256 0.987402 0.100 Uiso 1 1 calc R . . . .
H19B H 0.619997 -0.036367 0.998275 0.100 Uiso 1 1 calc R . . . .
C179 C 0.9462(14) 0.2115(10) 0.8230(6) 0.067(2) Uani 1 1 d D . . . .
H17A H 0.921008 0.263212 0.823972 0.080 Uiso 1 1 calc R . . . .
H17B H 0.977827 0.197712 0.845136 0.080 Uiso 1 1 calc R . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au01 Au03 2.8356(18) . ?
Au01 Au04 2.8069(17) . ?
Au01 Au05 2.8374(18) . ?
Au01 Au06 2.7737(17) . ?
Au01 Au07 2.8223(17) . ?
Au01 Au08 2.8822(18) . ?
Au01 Au0A 2.7086(17) . ?
Au01 Au0B 2.7296(17) . ?
Au01 Au0C 2.7434(17) . ?
Au01 Au0D 2.7261(18) . ?
Au01 Au0F 2.7746(17) . ?
Au01 Au0M 2.7608(18) . ?
Au02 Au03 2.8002(18) . ?
Au02 Au05 2.8877(18) . ?
Au02 Au08 2.8950(18) . ?
Au02 Au09 2.8337(18) . ?
Au02 Au0E 2.7395(18) . ?
Au02 Au0G 2.7594(17) . ?
Au02 Au0H 2.7986(17) . ?
Au02 Au0I 2.7612(18) . ?
Au02 Au0J 2.7292(18) . ?
Au02 Au0K 2.8027(18) . ?
Au02 Au0N 2.7149(19) . ?
Au02 Au0O 2.7713(18) . ?
Au03 Au04 2.7506(19) . ?
Au03 Au05 3.1684(17) . ?
Au03 Au06 2.8509(18) . ?
Au03 Au07 2.8044(18) . ?
Au03 Au08 3.2641(18) . ?
Au03 Au09 2.8787(18) . ?
Au03 Au0H 2.7768(18) . ?
Au03 Au0I 2.7427(18) . ?
Au03 Au0L 3.1142(18) . ?
Au04 Au06 2.9086(18) . ?
Au04 Au07 2.9812(17) . ?
Au04 Au0B 2.8203(18) . ?
Au04 Au0D 2.9169(18) . ?
Au04 Au0L 3.3589(18) . ?
Au04 S014 2.337(9) . ?
Au05 Au07 3.0958(18) . ?
Au05 Au08 2.7914(17) . ?
Au05 Au09 2.9046(18) . ?
Au05 Au0C 2.8402(19) . ?
Au05 Au0F 2.8846(18) . ?
Au05 Au0G 2.7830(18) . ?
Au05 Au0K 3.0624(19) . ?
Au05 Au0Q 2.8725(18) . ?
Au06 Au08 3.0261(18) . ?
Au06 Au0A 2.9557(18) . ?
Au06 Au0B 2.7474(19) . ?
Au06 Au0H 3.0204(19) . ?
Au06 S00V 2.351(8) . ?
Au07 Au09 2.9830(19) . ?
Au07 Au0C 2.7867(17) . ?
Au07 Au0D 2.7493(18) . ?
Au07 S00U 2.380(8) . ?
Au08 Au0A 2.7979(19) . ?
Au08 Au0F 3.0096(19) . ?
Au08 Au0H 3.2302(18) . ?
Au08 Au0J 2.8258(19) . ?
Au08 Au0K 2.8229(19) . ?
Au08 Au0R 2.9509(19) . ?
Au09 Au0E 2.7849(19) . ?
Au09 Au0G 2.8295(19) . ?
Au09 Au0I 3.0143(18) . ?
Au09 S00U 2.378(7) . ?
Au0A Au0B 2.9596(19) . ?
Au0A Au0F 2.8205(18) . ?
Au0A Au0M 2.8544(19) . ?
Au0A Au0R 3.216(2) . ?
Au0A S011 2.327(10) . ?
Au0B Au0D 3.2458(18) . ?
Au0B Au0M 3.0463(18) . ?
Au0B S015 2.325(8) . ?
Au0C Au0D 2.8077(18) . ?
Au0C Au0F 2.8772(19) . ?
Au0C Au0M 3.1823(19) . ?
Au0C Au0Q 3.3019(19) . ?
Au0C S00X 2.354(8) . ?
Au0D Au0M 3.1235(19) . ?
Au0D S010 2.325(9) . ?
Au0E Au0G 2.7777(18) . ?
Au0E Au0I 2.9634(19) . ?
Au0E Au0N 3.0561(19) . ?
Au0E P013 2.299(9) . ?
Au0F Au0M 2.774(2) . ?
Au0F Au0P 3.213(2) . ?
Au0F S012 2.357(8) . ?
Au0G Au0K 2.8984(19) . ?
Au0G Au0N 3.1718(19) . ?
Au0G Au0Q 3.3042(19) . ?
Au0G S00Y 2.347(8) . ?
Au0H Au0I 2.9418(19) . ?
Au0H Au0J 2.8707(19) . ?
Au0H Au0O 2.756(2) . ?
Au0H S00V 2.383(8) . ?
Au0I Au0L 3.2667(19) . ?
Au0I Au0O 2.845(2) . ?
Au0I S00Z 2.320(8) . ?
Au0J Au0K 2.8344(19) . ?
Au0J Au0N 2.9345(19) . ?
Au0J Au0O 2.9587(19) . ?
Au0J S018 2.368(12) . ?
Au0K Au0N 2.828(2) . ?
Au0K Au0P 2.9496(19) . ?
Au0K S016 2.392(9) . ?
Au0L S00Z 2.322(9) . ?
Au0L S014 2.324(9) . ?
Au0M S00W 2.324(10) . ?
Au0N Au0O 2.9923(19) . ?
Au0N P017 2.284(9) . ?
Au0O S019 2.311(9) . ?
Au0P S012 2.270(9) . ?
Au0P S016 2.313(11) . ?
Au0Q S00X 2.318(9) . ?
Au0Q S00Y 2.322(9) . ?
Au0R S011 2.285(11) . ?
Au0R S018 2.312(12) . ?
Cd0S S00W 2.559(10) . ?
Cd0S S010 2.570(9) . ?
Cd0S S015 2.581(8) . ?
Cd0S Cl01 2.475(11) . ?
Fe00 C01K 2.11(4) . ?
Fe00 C01Q 2.12(3) . ?
Fe00 C01S 2.06(4) . ?
Fe00 C021 2.02(3) . ?
Fe00 C026 2.09(4) . ?
Fe00 C02E 2.02(3) . ?
Fe00 C030 2.07(3) . ?
Fe00 C031 2.09(3) . ?
Fe00 C034 2.14(4) . ?
Fe00 C03A 2.08(4) . ?
S00U C01B 1.83(3) . ?
S00V C02H 1.72(3) . ?
S00W C75 1.92(2) . ?
S00X C02G 1.84(4) . ?
S00Y C59 1.84(3) . ?
S00Z C01H 1.89(3) . ?
S010 C02F 1.74(3) . ?
S011 C02O 1.844(16) . ?
S012 C01M 1.86(3) . ?
P013 C031 1.70(3) . ?
P013 C56 1.77(3) . ?
P013 C68 1.825(17) . ?
S014 C31 1.79(3) . ?
S015 C03D 1.78(3) . ?
S016 C02S 1.834(17) . ?
P017 C01L 1.79(3) . ?
P017 C02E 1.79(3) . ?
P017 C02X 1.801(18) . ?
S018 C2AA 1.81(2) . ?
S019 C5AA 1.95(4) . ?
C01B C02A 1.36(4) . ?
C01B C03F 1.51(4) . ?
C01B C66 1.59(4) . ?
C01E C02F 1.55(4) . ?
C01E C74 1.60(4) . ?
C01F C01M 1.58(4) . ?
C01F C02B 1.46(5) . ?
C01G C44 1.52(4) . ?
C01G C59 1.63(5) . ?
C01H C02L 1.57(4) . ?
C01H C60 1.53(4) . ?
C01H C65 1.61(4) . ?
C01I C01Z 1.41(4) . ?
C01I C93 1.57(4) . ?
C01I C94 1.57(4) . ?
C01J C01V 1.54(4) . ?
C01J C023 1.61(4) . ?
C01K C026 1.39(5) . ?
C01K C02E 1.47(4) . ?
C01L C02K 1.39(5) . ?
C01L C02M 1.39(5) . ?
C01M C020 1.55(4) . ?
C01M C5BA 1.61(4) . ?
C01O C023 1.42(4) . ?
C01O C02B 1.60(5) . ?
C01P C31 1.67(5) . ?
C01P C7BA 1.62(4) . ?
C01Q C021 1.47(4) . ?
C01Q C026 1.44(4) . ?
C01R C87 1.57(5) . ?
C01R C5AA 1.34(5) . ?
C01S C030 1.48(5) . ?
C01S C034 1.45(5) . ?
C01V C71 1.53(5) . ?
C01V C5BA 1.50(5) . ?
C01W C02F 1.46(4) . ?
C01W C40 1.65(4) . ?
C01X C02H 1.56(4) . ?
C01X C55 1.61(4) . ?
C01Z C02F 1.53(4) . ?
C020 C023 1.48(4) . ?
C021 C02E 1.40(4) . ?
C022 C57 1.522(9) . ?
C022 C60 1.529(10) . ?
C022 C73 1.519(9) . ?
C024 C02H 1.58(4) . ?
C024 C02J 1.48(4) . ?
C025 C02N 1.59(4) . ?
C025 C03D 1.51(4) . ?
C029 C56 1.45(4) . ?
C029 C64 1.32(4) . ?
C02A C9DA 1.42(5) . ?
C02B C71 1.48(5) . ?
C02C C59 1.48(4) . ?
C02C C77 1.69(4) . ?
C02D C03F 1.56(5) . ?
C02D C70 1.51(5) . ?
C02D C76 1.50(5) . ?
C02G C02V 1.62(5) . ?
C02G C90 1.57(6) . ?
C02G C8DA 1.70(5) . ?
C02H C95 1.55(4) . ?
C02I C6BA 1.28(6) . ?
C02I C2EA 1.40(6) . ?
C02J C86 1.46(4) . ?
C02J C0BA 1.59(4) . ?
C02K C2EA 1.34(5) . ?
C02L C91 1.532(10) . ?
C02M C6BA 1.39(5) . ?
C02N C02Z 1.57(4) . ?
C02N C99 1.33(4) . ?
C02O C5CA 1.533(9) . ?
C02O C1EA 1.522(9) . ?
C02O C1CA 1.533(9) . ?
C02P C02Z 1.48(4) . ?
C02P C033 1.58(4) . ?
C02P C72 1.45(4) . ?
C02Q C56 1.46(4) . ?
C02Q C80 1.38(4) . ?
C02R C02U 1.47(4) . ?
C02R C62 1.50(5) . ?
C02R C79 1.51(4) . ?
C02S C4AA 1.46(3) . ?
C02S C8CA 1.44(2) . ?
C02S C5EA 1.48(4) . ?
C02T C47 1.52(4) . ?
C02T C72 1.55(4) . ?
C02T C99 1.46(4) . ?
C02U C31 1.59(4) . ?
C02V C7DA 1.47(5) . ?
C02W C81 1.56(5) . ?
C02W C89 1.53(5) . ?
C02X C01Y 1.3900 . ?
C02X C038 1.3900 . ?
C01Y C84 1.3900 . ?
C84 C7CA 1.3900 . ?
C7CA C027 1.3900 . ?
C027 C038 1.3900 . ?
C02Y C77 1.67(5) . ?
C02Y C83 1.54(4) . ?
C030 C031 1.43(4) . ?
C031 C03A 1.49(4) . ?
C033 C03D 1.54(4) . ?
C034 C03A 1.36(4) . ?
C037 C03C 1.59(4) . ?
C037 C31 1.46(4) . ?
C03C C79 1.38(4) . ?
C03C C7EA 1.59(5) . ?
C03D C47 1.63(4) . ?
C40 C94 1.52(4) . ?
C40 C88 1.59(4) . ?
C44 C63 1.41(4) . ?
C44 C1BA 1.48(5) . ?
C48 C59 1.57(5) . ?
C48 C83 1.56(4) . ?
C51 C69 1.522(9) . ?
C51 C91 1.527(9) . ?
C55 C85 1.52(4) . ?
C55 C86 1.47(4) . ?
C57 C69 1.525(9) . ?
C63 C77 1.41(4) . ?
C64 C4CA 1.38(4) . ?
C65 C69 1.520(10) . ?
C66 C4BA 1.29(6) . ?
C73 C91 1.524(9) . ?
C74 C93 1.55(4) . ?
C74 C88 1.39(4) . ?
C75 C98 1.50(4) . ?
C75 C9EA 1.59(4) . ?
C75 C110 1.45(5) . ?
C78 C81 1.52(5) . ?
C78 C7DA 1.63(6) . ?
C80 C4CA 1.41(4) . ?
C81 C90 1.64(5) . ?
C83 C1BA 1.46(4) . ?
C85 C96 1.54(4) . ?
C87 C8AA 1.45(5) . ?
C87 C9AA 1.54(5) . ?
C89 C92 1.46(5) . ?
C89 C8DA 1.50(5) . ?
C92 C7DA 1.43(5) . ?
C95 C96 1.55(4) . ?
C96 C0BA 1.42(4) . ?
C61 C5AA 1.65(5) . ?
C61 C3CA 1.37(4) . ?
C62 C7BA 1.37(4) . ?
C3AA C2AA 1.523(9) . ?
C3AA C119 1.533(10) . ?
C7BA C7EA 1.47(4) . ?
C68 C032 1.3900 . ?
C68 C2BA 1.3900 . ?
C032 C01N 1.3900 . ?
C01N C01T 1.3900 . ?
C01T C3BA 1.3900 . ?
C3BA C2BA 1.3900 . ?
C8AA C7AA 1.44(5) . ?
C70 C4BA 1.39(6) . ?
C9AA C3CA 1.62(5) . ?
C2AA C0DA 1.530(10) . ?
C2AA C100 1.522(9) . ?
C4BA C6EA 1.92(7) . ?
C76 C9DA 1.58(5) . ?
C1AA C0AA 1.517(8) . ?
C1AA C0EA 1.521(8) . ?
C5AA C6AA 1.62(5) . ?
C82 C0EA 1.519(8) . ?
C82 C8EA 1.519(8) . ?
C7AA C6AA 1.66(5) . ?
C7AA C2CA 1.51(5) . ?
C0AA C6CA 1.517(8) . ?
C0AA C1EA 1.529(10) . ?
C98 C1DA 1.48(4) . ?
C4AA C9CA 1.523(10) . ?
C0CA C9BA 1.527(9) . ?
C0CA C4EA 1.533(8) . ?
C3CA C2CA 1.56(5) . ?
C9BA C8BA 1.518(8) . ?
C9BA C5EA 1.534(10) . ?
C8BA C9CA 1.520(8) . ?
C97 C3EA 1.523(9) . ?
C97 C100 1.541(10) . ?
C97 C195 1.526(9) . ?
C3DA C1DA 1.52(3) . ?
C3DA C4DA 1.46(3) . ?
C1DA C2DA 1.54(3) . ?
C2DA C5DA 1.54(3) . ?
C5DA C6DA 1.44(3) . ?
C5DA C110 1.54(4) . ?
C6CA C8EA 1.520(8) . ?
C9CA C179 1.524(9) . ?
C5CA C0EA 1.542(10) . ?
C4DA C6DA 1.54(3) . ?
C4DA C9EA 1.535(10) . ?
C9DA C6EA 1.67(6) . ?
C8CA C4EA 1.536(9) . ?
C0DA C147 1.531(10) . ?
C4EA C179 1.522(8) . ?
C3EA C147 1.527(9) . ?
C8EA C1CA 1.524(10) . ?
C101 C119 1.527(8) . ?
C101 C147 1.524(9) . ?
C119 C195 1.522(9) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Au03 Au01 Au05 67.91(5) . . ?
Au03 Au01 Au08 69.62(5) . . ?
Au04 Au01 Au03 58.35(4) . . ?
Au04 Au01 Au05 119.56(6) . . ?
Au04 Au01 Au07 63.96(4) . . ?
Au04 Au01 Au08 118.48(5) . . ?
Au05 Au01 Au08 58.42(4) . . ?
Au06 Au01 Au03 61.08(4) . . ?
Au06 Au01 Au04 62.82(4) . . ?
Au06 Au01 Au05 112.85(6) . . ?
Au06 Au01 Au07 114.24(5) . . ?
Au06 Au01 Au08 64.66(5) . . ?
Au06 Au01 Au0F 119.20(6) . . ?
Au07 Au01 Au03 59.43(4) . . ?
Au07 Au01 Au05 66.32(5) . . ?
Au07 Au01 Au08 114.90(6) . . ?
Au0A Au01 Au03 117.48(6) . . ?
Au0A Au01 Au04 118.74(5) . . ?
Au0A Au01 Au05 108.82(6) . . ?
Au0A Au01 Au06 65.24(5) . . ?
Au0A Au01 Au07 174.76(7) . . ?
Au0A Au01 Au08 59.96(5) . . ?
Au0A Au01 Au0B 65.94(5) . . ?
Au0A Au01 Au0C 119.93(6) . . ?
Au0A Au01 Au0D 125.66(6) . . ?
Au0A Au01 Au0F 61.90(5) . . ?
Au0A Au01 Au0M 62.91(5) . . ?
Au0B Au01 Au03 108.62(5) . . ?
Au0B Au01 Au04 61.23(4) . . ?
Au0B Au01 Au05 172.08(6) . . ?
Au0B Au01 Au06 59.89(5) . . ?
Au0B Au01 Au07 118.65(6) . . ?
Au0B Au01 Au08 113.87(6) . . ?
Au0B Au01 Au0C 126.34(6) . . ?
Au0B Au01 Au0F 117.75(6) . . ?
Au0B Au01 Au0M 67.40(5) . . ?
Au0C Au01 Au03 111.66(5) . . ?
Au0C Au01 Au04 115.41(6) . . ?
Au0C Au01 Au05 61.16(5) . . ?
Au0C Au01 Au06 172.62(6) . . ?
Au0C Au01 Au07 60.07(4) . . ?
Au0C Au01 Au08 112.49(5) . . ?
Au0C Au01 Au0F 62.85(5) . . ?
Au0C Au01 Au0M 70.64(5) . . ?
Au0D Au01 Au03 108.20(5) . . ?
Au0D Au01 Au04 63.61(5) . . ?
Au0D Au01 Au05 114.67(5) . . ?
Au0D Au01 Au06 120.51(6) . . ?
Au0D Au01 Au07 59.38(5) . . ?
Au0D Au01 Au08 173.08(6) . . ?
Au0D Au01 Au0B 73.02(5) . . ?
Au0D Au01 Au0C 61.77(5) . . ?
Au0D Au01 Au0F 113.73(6) . . ?
Au0D Au01 Au0M 69.39(5) . . ?
Au0F Au01 Au03 124.05(6) . . ?
Au0F Au01 Au04 177.25(6) . . ?
Au0F Au01 Au05 61.85(5) . . ?
Au0F Au01 Au07 115.65(5) . . ?
Au0F Au01 Au08 64.25(5) . . ?
Au0M Au01 Au03 175.69(6) . . ?
Au0M Au01 Au04 117.47(6) . . ?
Au0M Au01 Au05 116.26(5) . . ?
Au0M Au01 Au06 116.69(6) . . ?
Au0M Au01 Au07 120.53(6) . . ?
Au0M Au01 Au08 113.20(6) . . ?
Au0M Au01 Au0F 60.16(5) . . ?
Au03 Au02 Au05 67.68(5) . . ?
Au03 Au02 Au08 69.92(5) . . ?
Au03 Au02 Au09 61.45(4) . . ?
Au03 Au02 Au0K 123.41(6) . . ?
Au05 Au02 Au08 57.73(4) . . ?
Au09 Au02 Au05 61.01(4) . . ?
Au09 Au02 Au08 111.76(6) . . ?
Au0E Au02 Au03 110.79(6) . . ?
Au0E Au02 Au05 109.53(5) . . ?
Au0E Au02 Au08 166.55(6) . . ?
Au0E Au02 Au09 59.93(5) . . ?
Au0E Au02 Au0G 60.68(5) . . ?
Au0E Au02 Au0H 123.39(6) . . ?
Au0E Au02 Au0I 65.19(5) . . ?
Au0E Au02 Au0K 112.99(6) . . ?
Au0E Au02 Au0O 76.03(5) . . ?
Au0G Au02 Au03 114.40(6) . . ?
Au0G Au02 Au05 59.00(4) . . ?
Au0G Au02 Au08 106.38(5) . . ?
Au0G Au02 Au09 60.77(5) . . ?
Au0G Au02 Au0H 173.09(6) . . ?
Au0G Au02 Au0I 116.66(6) . . ?
Au0G Au02 Au0K 62.81(5) . . ?
Au0G Au02 Au0O 127.42(6) . . ?
Au0H Au02 Au03 59.47(4) . . ?
Au0H Au02 Au05 114.28(6) . . ?
Au0H Au02 Au08 69.10(5) . . ?
Au0H Au02 Au09 115.40(6) . . ?
Au0H Au02 Au0K 116.97(6) . . ?
Au0I Au02 Au03 59.09(5) . . ?
Au0I Au02 Au05 116.94(6) . . ?
Au0I Au02 Au08 122.77(6) . . ?
Au0I Au02 Au09 65.18(5) . . ?
Au0I Au02 Au0H 63.89(5) . . ?
Au0I Au02 Au0K 177.50(7) . . ?
Au0I Au02 Au0O 61.89(5) . . ?
Au0J Au02 Au03 112.97(6) . . ?
Au0J Au02 Au05 112.09(6) . . ?
Au0J Au02 Au08 60.24(5) . . ?
Au0J Au02 Au09 171.99(6) . . ?
Au0J Au02 Au0E 127.98(6) . . ?
Au0J Au02 Au0G 120.34(6) . . ?
Au0J Au02 Au0H 62.56(5) . . ?
Au0J Au02 Au0I 117.87(6) . . ?
Au0J Au02 Au0K 61.63(5) . . ?
Au0J Au02 Au0O 65.07(5) . . ?
Au0K Au02 Au05 65.10(5) . . ?
Au0K Au02 Au08 59.37(4) . . ?
Au0K Au02 Au09 115.67(5) . . ?
Au0N Au02 Au03 173.72(6) . . ?
Au0N Au02 Au05 118.59(6) . . ?
Au0N Au02 Au08 112.65(6) . . ?
Au0N Au02 Au09 120.97(6) . . ?
Au0N Au02 Au0E 68.15(5) . . ?
Au0N Au02 Au0G 70.81(5) . . ?
Au0N Au02 Au0H 115.53(6) . . ?
Au0N Au02 Au0I 115.87(6) . . ?
Au0N Au02 Au0J 65.23(5) . . ?
Au0N Au02 Au0K 61.64(5) . . ?
Au0N Au02 Au0O 66.10(5) . . ?
Au0O Au02 Au03 107.63(5) . . ?
Au0O Au02 Au05 173.56(6) . . ?
Au0O Au02 Au08 116.96(6) . . ?
Au0O Au02 Au09 121.31(6) . . ?
Au0O Au02 Au0H 59.31(5) . . ?
Au0O Au02 Au0K 116.27(6) . . ?
Au01 Au03 Au05 56.07(4) . . ?
Au01 Au03 Au06 58.39(4) . . ?
Au01 Au03 Au08 55.86(4) . . ?
Au01 Au03 Au09 105.91(5) . . ?
Au01 Au03 Au0L 127.43(6) . . ?
Au02 Au03 Au01 104.33(5) . . ?
Au02 Au03 Au05 57.47(4) . . ?
Au02 Au03 Au06 107.44(5) . . ?
Au02 Au03 Au07 112.10(5) . . ?
Au02 Au03 Au08 56.41(4) . . ?
Au02 Au03 Au09 59.85(4) . . ?
Au02 Au03 Au0L 126.21(6) . . ?
Au04 Au03 Au01 60.30(4) . . ?
Au04 Au03 Au02 164.21(6) . . ?
Au04 Au03 Au05 110.78(5) . . ?
Au04 Au03 Au06 62.53(5) . . ?
Au04 Au03 Au07 64.91(5) . . ?
Au04 Au03 Au08 108.44(5) . . ?
Au04 Au03 Au09 125.10(6) . . ?
Au04 Au03 Au0H 119.74(6) . . ?
Au04 Au03 Au0L 69.56(5) . . ?
Au05 Au03 Au08 51.41(4) . . ?
Au06 Au03 Au05 101.79(5) . . ?
Au06 Au03 Au08 58.86(4) . . ?
Au06 Au03 Au09 158.64(6) . . ?
Au06 Au03 Au0L 111.23(5) . . ?
Au07 Au03 Au01 60.05(4) . . ?
Au07 Au03 Au05 62.09(4) . . ?
Au07 Au03 Au06 112.41(6) . . ?
Au07 Au03 Au08 104.56(5) . . ?
Au07 Au03 Au09 63.31(4) . . ?
Au07 Au03 Au0L 85.86(5) . . ?
Au09 Au03 Au05 57.17(4) . . ?
Au09 Au03 Au08 100.90(5) . . ?
Au09 Au03 Au0L 89.71(5) . . ?
Au0H Au03 Au01 111.72(6) . . ?
Au0H Au03 Au02 60.24(4) . . ?
Au0H Au03 Au05 106.74(5) . . ?
Au0H Au03 Au06 64.90(5) . . ?
Au0H Au03 Au07 168.33(6) . . ?
Au0H Au03 Au08 64.05(4) . . ?
Au0H Au03 Au09 114.65(6) . . ?
Au0H Au03 Au0L 105.76(5) . . ?
Au0I Au03 Au01 163.82(6) . . ?
Au0I Au03 Au02 59.74(5) . . ?
Au0I Au03 Au04 135.78(6) . . ?
Au0I Au03 Au05 108.88(5) . . ?
Au0I Au03 Au06 126.16(6) . . ?
Au0I Au03 Au07 120.86(6) . . ?
Au0I Au03 Au08 111.22(5) . . ?
Au0I Au03 Au09 64.80(5) . . ?
Au0I Au03 Au0H 64.41(5) . . ?
Au0I Au03 Au0L 67.46(5) . . ?
Au0L Au03 Au05 140.98(5) . . ?
Au0L Au03 Au08 167.61(5) . . ?
Au01 Au04 Au06 58.03(4) . . ?
Au01 Au04 Au07 58.27(4) . . ?
Au01 Au04 Au0B 58.03(4) . . ?
Au01 Au04 Au0D 56.84(4) . . ?
Au01 Au04 Au0L 119.59(5) . . ?
Au03 Au04 Au01 61.35(4) . . ?
Au03 Au04 Au06 60.42(4) . . ?
Au03 Au04 Au07 58.42(4) . . ?
Au03 Au04 Au0B 108.46(6) . . ?
Au03 Au04 Au0D 105.27(5) . . ?
Au03 Au04 Au0L 60.32(4) . . ?
Au06 Au04 Au07 105.86(5) . . ?
Au06 Au04 Au0D 110.11(5) . . ?
Au06 Au04 Au0L 103.36(5) . . ?
Au07 Au04 Au0L 78.86(4) . . ?
Au0B Au04 Au06 57.29(4) . . ?
Au0B Au04 Au07 110.76(5) . . ?
Au0B Au04 Au0D 68.88(5) . . ?
Au0B Au04 Au0L 159.67(6) . . ?
Au0D Au04 Au07 55.55(4) . . ?
Au0D Au04 Au0L 128.75(5) . . ?
S014 Au04 Au01 162.6(2) . . ?
S014 Au04 Au03 103.5(2) . . ?
S014 Au04 Au06 124.0(2) . . ?
S014 Au04 Au07 107.5(2) . . ?
S014 Au04 Au0B 139.1(2) . . ?
S014 Au04 Au0D 125.8(2) . . ?
S014 Au04 Au0L 43.7(2) . . ?
Au01 Au05 Au02 102.05(5) . . ?
Au01 Au05 Au03 56.02(4) . . ?
Au01 Au05 Au07 56.60(4) . . ?
Au01 Au05 Au09 105.18(5) . . ?
Au01 Au05 Au0C 57.79(4) . . ?
Au01 Au05 Au0F 58.00(4) . . ?
Au01 Au05 Au0K 118.19(5) . . ?
Au01 Au05 Au0Q 127.88(6) . . ?
Au02 Au05 Au03 54.84(4) . . ?
Au02 Au05 Au07 101.91(5) . . ?
Au02 Au05 Au09 58.58(4) . . ?
Au02 Au05 Au0K 56.11(4) . . ?
Au07 Au05 Au03 53.17(4) . . ?
Au08 Au05 Au01 61.59(4) . . ?
Au08 Au05 Au02 61.27(4) . . ?
Au08 Au05 Au03 66.07(4) . . ?
Au08 Au05 Au07 109.42(5) . . ?
Au08 Au05 Au09 112.73(5) . . ?
Au08 Au05 Au0C 112.32(6) . . ?
Au08 Au05 Au0F 64.02(5) . . ?
Au08 Au05 Au0K 57.44(4) . . ?
Au08 Au05 Au0Q 144.78(6) . . ?
Au09 Au05 Au03 56.39(4) . . ?
Au09 Au05 Au07 59.52(4) . . ?
Au09 Au05 Au0K 106.16(5) . . ?
Au0C Au05 Au02 155.09(6) . . ?
Au0C Au05 Au03 100.26(5) . . ?
Au0C Au05 Au07 55.80(4) . . ?
Au0C Au05 Au09 109.45(6) . . ?
Au0C Au05 Au0F 60.34(5) . . ?
Au0C Au05 Au0K 143.79(6) . . ?
Au0C Au05 Au0Q 70.62(5) . . ?
Au0F Au05 Au02 124.35(6) . . ?
Au0F Au05 Au03 109.80(5) . . ?
Au0F Au05 Au07 104.72(5) . . ?
Au0F Au05 Au09 162.88(6) . . ?
Au0F Au05 Au0K 86.46(5) . . ?
Au0G Au05 Au01 158.92(6) . . ?
Au0G Au05 Au02 58.20(4) . . ?
Au0G Au05 Au03 103.29(5) . . ?
Au0G Au05 Au07 116.56(6) . . ?
Au0G Au05 Au08 108.63(6) . . ?
Au0G Au05 Au09 59.62(5) . . ?
Au0G Au05 Au0C 138.26(6) . . ?
Au0G Au05 Au0F 137.39(6) . . ?
Au0G Au05 Au0K 59.22(5) . . ?
Au0G Au05 Au0Q 71.48(5) . . ?
Au0K Au05 Au03 104.69(5) . . ?
Au0K Au05 Au07 157.35(6) . . ?
Au0Q Au05 Au02 129.67(6) . . ?
Au0Q Au05 Au03 149.15(6) . . ?
Au0Q Au05 Au07 100.85(5) . . ?
Au0Q Au05 Au09 97.82(5) . . ?
Au0Q Au05 Au0F 91.56(5) . . ?
Au0Q Au05 Au0K 98.43(5) . . ?
Au01 Au06 Au03 60.53(4) . . ?
Au01 Au06 Au04 59.15(4) . . ?
Au01 Au06 Au08 59.41(4) . . ?
Au01 Au06 Au0A 56.32(4) . . ?
Au01 Au06 Au0H 106.52(5) . . ?
Au03 Au06 Au04 57.05(4) . . ?
Au03 Au06 Au08 67.40(4) . . ?
Au03 Au06 Au0A 109.42(5) . . ?
Au03 Au06 Au0H 56.36(4) . . ?
Au04 Au06 Au08 110.91(5) . . ?
Au04 Au06 Au0A 108.06(5) . . ?
Au04 Au06 Au0H 107.46(5) . . ?
Au0A Au06 Au08 55.76(4) . . ?
Au0A Au06 Au0H 117.90(6) . . ?
Au0B Au06 Au01 59.26(4) . . ?
Au0B Au06 Au03 107.68(5) . . ?
Au0B Au06 Au04 59.74(4) . . ?
Au0B Au06 Au08 109.02(5) . . ?
Au0B Au06 Au0A 62.40(5) . . ?
Au0B Au06 Au0H 163.88(6) . . ?
Au0H Au06 Au08 64.58(4) . . ?
S00V Au06 Au01 156.0(2) . . ?
S00V Au06 Au03 103.2(2) . . ?
S00V Au06 Au04 129.4(2) . . ?
S00V Au06 Au08 99.0(2) . . ?
S00V Au06 Au0A 122.5(2) . . ?
S00V Au06 Au0B 144.3(2) . . ?
S00V Au06 Au0H 50.8(2) . . ?
Au01 Au07 Au04 57.77(4) . . ?
Au01 Au07 Au05 57.07(4) . . ?
Au01 Au07 Au09 103.53(5) . . ?
Au03 Au07 Au01 60.52(4) . . ?
Au03 Au07 Au04 56.68(4) . . ?
Au03 Au07 Au05 64.74(4) . . ?
Au03 Au07 Au09 59.56(4) . . ?
Au04 Au07 Au05 106.74(5) . . ?
Au04 Au07 Au09 113.78(5) . . ?
Au09 Au07 Au05 57.05(4) . . ?
Au0C Au07 Au01 58.56(4) . . ?
Au0C Au07 Au03 111.31(6) . . ?
Au0C Au07 Au04 108.82(5) . . ?
Au0C Au07 Au05 57.45(4) . . ?
Au0C Au07 Au09 108.71(6) . . ?
Au0D Au07 Au01 58.57(5) . . ?
Au0D Au07 Au03 108.44(6) . . ?
Au0D Au07 Au04 61.04(4) . . ?
Au0D Au07 Au05 106.37(5) . . ?
Au0D Au07 Au09 161.86(6) . . ?
Au0D Au07 Au0C 60.95(5) . . ?
S00U Au07 Au01 152.62(19) . . ?
S00U Au07 Au03 93.84(18) . . ?
S00U Au07 Au04 118.06(19) . . ?
S00U Au07 Au05 105.13(19) . . ?
S00U Au07 Au09 51.16(18) . . ?
S00U Au07 Au0C 133.10(19) . . ?
S00U Au07 Au0D 146.95(19) . . ?
Au01 Au08 Au02 100.79(5) . . ?
Au01 Au08 Au03 54.52(4) . . ?
Au01 Au08 Au06 55.93(4) . . ?
Au01 Au08 Au0F 56.14(4) . . ?
Au01 Au08 Au0H 98.77(5) . . ?
Au01 Au08 Au0R 124.38(6) . . ?
Au02 Au08 Au03 53.68(4) . . ?
Au02 Au08 Au06 100.57(5) . . ?
Au02 Au08 Au0F 119.65(5) . . ?
Au02 Au08 Au0H 54.04(4) . . ?
Au02 Au08 Au0R 131.47(6) . . ?
Au05 Au08 Au01 59.99(4) . . ?
Au05 Au08 Au02 61.01(4) . . ?
Au05 Au08 Au03 62.52(4) . . ?
Au05 Au08 Au06 106.89(5) . . ?
Au05 Au08 Au0A 107.61(6) . . ?
Au05 Au08 Au0F 59.50(4) . . ?
Au05 Au08 Au0H 104.75(5) . . ?
Au05 Au08 Au0J 112.11(6) . . ?
Au05 Au08 Au0K 66.11(5) . . ?
Au05 Au08 Au0R 155.61(6) . . ?
Au06 Au08 Au03 53.74(4) . . ?
Au06 Au08 Au0H 57.62(4) . . ?
Au0A Au08 Au01 56.94(4) . . ?
Au0A Au08 Au02 156.04(6) . . ?
Au0A Au08 Au03 102.59(5) . . ?
Au0A Au08 Au06 60.84(4) . . ?
Au0A Au08 Au0F 57.97(4) . . ?
Au0A Au08 Au0H 116.10(5) . . ?
Au0A Au08 Au0J 140.16(6) . . ?
Au0A Au08 Au0K 139.36(6) . . ?
Au0A Au08 Au0R 67.98(5) . . ?
Au0F Au08 Au03 104.26(5) . . ?
Au0F Au08 Au06 104.91(5) . . ?
Au0F Au08 Au0H 154.20(6) . . ?
Au0H Au08 Au03 50.62(4) . . ?
Au0J Au08 Au01 152.61(6) . . ?
Au0J Au08 Au02 56.97(4) . . ?
Au0J Au08 Au03 98.15(5) . . ?
Au0J Au08 Au06 108.74(5) . . ?
Au0J Au08 Au0F 146.19(6) . . ?
Au0J Au08 Au0H 56.11(4) . . ?
Au0J Au08 Au0R 74.56(5) . . ?
Au0K Au08 Au01 125.13(6) . . ?
Au0K Au08 Au02 58.69(4) . . ?
Au0K Au08 Au03 108.07(5) . . ?
Au0K Au08 Au06 159.20(6) . . ?
Au0K Au08 Au0F 88.59(5) . . ?
Au0K Au08 Au0H 103.96(5) . . ?
Au0K Au08 Au0J 60.24(5) . . ?
Au0K Au08 Au0R 100.88(6) . . ?
Au0R Au08 Au03 141.42(6) . . ?
Au0R Au08 Au06 92.04(5) . . ?
Au0R Au08 Au0F 101.35(5) . . ?
Au0R Au08 Au0H 98.31(5) . . ?
Au02 Au09 Au03 58.70(4) . . ?
Au02 Au09 Au05 60.41(4) . . ?
Au02 Au09 Au07 106.09(5) . . ?
Au02 Au09 Au0I 56.25(4) . . ?
Au03 Au09 Au05 66.44(4) . . ?
Au03 Au09 Au07 57.13(4) . . ?
Au03 Au09 Au0I 55.42(4) . . ?
Au05 Au09 Au07 63.43(4) . . ?
Au05 Au09 Au0I 108.87(5) . . ?
Au07 Au09 Au0I 107.12(5) . . ?
Au0E Au09 Au02 58.36(4) . . ?
Au0E Au09 Au03 107.23(5) . . ?
Au0E Au09 Au05 107.78(6) . . ?
Au0E Au09 Au07 163.71(6) . . ?
Au0E Au09 Au0G 59.30(5) . . ?
Au0E Au09 Au0I 61.31(4) . . ?
Au0G Au09 Au02 58.32(4) . . ?
Au0G Au09 Au03 109.90(5) . . ?
Au0G Au09 Au05 58.05(4) . . ?
Au0G Au09 Au07 118.78(6) . . ?
Au0G Au09 Au0I 106.99(6) . . ?
S00U Au09 Au02 150.69(19) . . ?
S00U Au09 Au03 92.00(19) . . ?
S00U Au09 Au05 111.21(19) . . ?
S00U Au09 Au07 51.20(19) . . ?
S00U Au09 Au0E 140.79(19) . . ?
S00U Au09 Au0G 144.71(19) . . ?
S00U Au09 Au0I 108.23(19) . . ?
Au01 Au0A Au06 58.44(4) . . ?
Au01 Au0A Au08 63.10(5) . . ?
Au01 Au0A Au0B 57.37(4) . . ?
Au01 Au0A Au0F 60.20(4) . . ?
Au01 Au0A Au0M 59.44(5) . . ?
Au01 Au0A Au0R 120.87(6) . . ?
Au06 Au0A Au0B 55.35(4) . . ?
Au06 Au0A Au0R 88.25(5) . . ?
Au08 Au0A Au06 63.40(5) . . ?
Au08 Au0A Au0B 109.53(5) . . ?
Au08 Au0A Au0F 64.78(5) . . ?
Au08 Au0A Au0M 112.93(6) . . ?
Au08 Au0A Au0R 58.27(5) . . ?
Au0B Au0A Au0R 139.79(6) . . ?
Au0F Au0A Au06 111.87(5) . . ?
Au0F Au0A Au0B 109.18(6) . . ?
Au0F Au0A Au0M 58.53(5) . . ?
Au0F Au0A Au0R 99.40(5) . . ?
Au0M Au0A Au06 108.35(5) . . ?
Au0M Au0A Au0B 63.17(5) . . ?
Au0M Au0A Au0R 155.81(6) . . ?
S011 Au0A Au01 166.1(3) . . ?
S011 Au0A Au06 114.8(3) . . ?
S011 Au0A Au08 103.2(3) . . ?
S011 Au0A Au0B 130.9(3) . . ?
S011 Au0A Au0F 117.6(2) . . ?
S011 Au0A Au0M 132.7(3) . . ?
S011 Au0A Au0R 45.3(3) . . ?
Au01 Au0B Au04 60.74(4) . . ?
Au01 Au0B Au06 60.85(5) . . ?
Au01 Au0B Au0A 56.69(4) . . ?
Au01 Au0B Au0D 53.44(4) . . ?
Au01 Au0B Au0M 56.79(4) . . ?
Au04 Au0B Au0A 110.37(6) . . ?
Au04 Au0B Au0D 56.97(4) . . ?
Au04 Au0B Au0M 108.37(5) . . ?
Au06 Au0B Au04 62.97(5) . . ?
Au06 Au0B Au0A 62.25(5) . . ?
Au06 Au0B Au0D 105.34(5) . . ?
Au06 Au0B Au0M 108.70(6) . . ?
Au0A Au0B Au0D 102.27(5) . . ?
Au0A Au0B Au0M 56.73(4) . . ?
Au0M Au0B Au0D 59.43(4) . . ?
S015 Au0B Au01 153.2(2) . . ?
S015 Au0B Au04 126.4(2) . . ?
S015 Au0B Au06 145.6(2) . . ?
S015 Au0B Au0A 123.2(2) . . ?
S015 Au0B Au0D 106.0(2) . . ?
S015 Au0B Au0M 99.3(2) . . ?
Au01 Au0C Au05 61.06(4) . . ?
Au01 Au0C Au07 61.37(4) . . ?
Au01 Au0C Au0D 58.81(4) . . ?
Au01 Au0C Au0F 59.11(4) . . ?
Au01 Au0C Au0M 54.94(4) . . ?
Au01 Au0C Au0Q 115.79(6) . . ?
Au05 Au0C Au0F 60.60(5) . . ?
Au05 Au0C Au0M 104.13(5) . . ?
Au05 Au0C Au0Q 55.15(4) . . ?
Au07 Au0C Au05 66.75(5) . . ?
Au07 Au0C Au0D 58.87(5) . . ?
Au07 Au0C Au0F 113.52(6) . . ?
Au07 Au0C Au0M 108.44(5) . . ?
Au07 Au0C Au0Q 97.85(5) . . ?
Au0D Au0C Au05 112.07(5) . . ?
Au0D Au0C Au0F 108.24(6) . . ?
Au0D Au0C Au0M 62.49(4) . . ?
Au0D Au0C Au0Q 156.41(6) . . ?
Au0F Au0C Au0M 54.21(4) . . ?
Au0F Au0C Au0Q 83.48(5) . . ?
Au0M Au0C Au0Q 136.17(6) . . ?
S00X Au0C Au01 160.3(2) . . ?
S00X Au0C Au05 99.2(2) . . ?
S00X Au0C Au07 113.3(2) . . ?
S00X Au0C Au0D 137.2(2) . . ?
S00X Au0C Au0F 112.5(2) . . ?
S00X Au0C Au0M 137.5(2) . . ?
S00X Au0C Au0Q 44.6(2) . . ?
Au01 Au0D Au04 59.54(4) . . ?
Au01 Au0D Au07 62.05(5) . . ?
Au01 Au0D Au0B 53.54(4) . . ?
Au01 Au0D Au0C 59.42(4) . . ?
Au01 Au0D Au0M 55.83(4) . . ?
Au04 Au0D Au0B 54.15(4) . . ?
Au04 Au0D Au0M 103.93(5) . . ?
Au07 Au0D Au04 63.41(4) . . ?
Au07 Au0D Au0B 105.30(5) . . ?
Au07 Au0D Au0C 60.19(5) . . ?
Au07 Au0D Au0M 111.12(6) . . ?
Au0C Au0D Au04 110.07(6) . . ?
Au0C Au0D Au0B 107.34(5) . . ?
Au0C Au0D Au0M 64.64(5) . . ?
Au0M Au0D Au0B 57.11(4) . . ?
S010 Au0D Au01 152.5(2) . . ?
S010 Au0D Au04 112.6(2) . . ?
S010 Au0D Au07 141.6(2) . . ?
S010 Au0D Au0B 99.7(2) . . ?
S010 Au0D Au0C 137.3(2) . . ?
S010 Au0D Au0M 106.9(2) . . ?
Au02 Au0E Au09 61.71(5) . . ?
Au02 Au0E Au0G 60.01(4) . . ?
Au02 Au0E Au0I 57.76(4) . . ?
Au02 Au0E Au0N 55.54(4) . . ?
Au09 Au0E Au0I 63.16(5) . . ?
Au09 Au0E Au0N 111.45(6) . . ?
Au0G Au0E Au09 61.15(5) . . ?
Au0G Au0E Au0I 109.81(6) . . ?
Au0G Au0E Au0N 65.67(5) . . ?
Au0I Au0E Au0N 100.86(5) . . ?
P013 Au0E Au02 172.3(3) . . ?
P013 Au0E Au09 126.0(2) . . ?
P013 Au0E Au0G 121.3(2) . . ?
P013 Au0E Au0I 124.9(2) . . ?
P013 Au0E Au0N 117.3(2) . . ?
Au01 Au0F Au05 60.14(4) . . ?
Au01 Au0F Au08 59.61(4) . . ?
Au01 Au0F Au0A 57.90(4) . . ?
Au01 Au0F Au0C 58.04(4) . . ?
Au01 Au0F Au0P 137.78(6) . . ?
Au05 Au0F Au08 56.49(4) . . ?
Au05 Au0F Au0P 80.50(5) . . ?
Au08 Au0F Au0P 87.04(5) . . ?
Au0A Au0F Au05 104.49(5) . . ?
Au0A Au0F Au08 57.25(4) . . ?
Au0A Au0F Au0C 111.87(6) . . ?
Au0A Au0F Au0P 126.55(6) . . ?
Au0C Au0F Au05 59.07(4) . . ?
Au0C Au0F Au08 105.22(5) . . ?
Au0C Au0F Au0P 115.44(6) . . ?
Au0M Au0F Au01 59.68(5) . . ?
Au0M Au0F Au05 114.30(6) . . ?
Au0M Au0F Au08 109.03(5) . . ?
Au0M Au0F Au0A 61.35(5) . . ?
Au0M Au0F Au0C 68.51(5) . . ?
Au0M Au0F Au0P 162.27(6) . . ?
S012 Au0F Au01 167.6(2) . . ?
S012 Au0F Au05 115.4(2) . . ?
S012 Au0F Au08 129.3(2) . . ?
S012 Au0F Au0A 133.0(2) . . ?
S012 Au0F Au0C 109.6(2) . . ?
S012 Au0F Au0M 117.5(2) . . ?
S012 Au0F Au0P 44.9(2) . . ?
Au02 Au0G Au05 62.80(5) . . ?
Au02 Au0G Au09 60.92(4) . . ?
Au02 Au0G Au0E 59.31(4) . . ?
Au02 Au0G Au0K 59.33(4) . . ?
Au02 Au0G Au0N 53.94(4) . . ?
Au02 Au0G Au0Q 118.31(5) . . ?
Au05 Au0G Au09 62.33(5) . . ?
Au05 Au0G Au0K 65.20(5) . . ?
Au05 Au0G Au0N 107.84(5) . . ?
Au05 Au0G Au0Q 55.52(4) . . ?
Au09 Au0G Au0K 112.81(6) . . ?
Au09 Au0G Au0N 107.01(5) . . ?
Au09 Au0G Au0Q 90.10(5) . . ?
Au0E Au0G Au05 111.53(6) . . ?
Au0E Au0G Au09 59.55(5) . . ?
Au0E Au0G Au0K 109.00(6) . . ?
Au0E Au0G Au0N 61.39(5) . . ?
Au0E Au0G Au0Q 147.49(6) . . ?
Au0K Au0G Au0N 55.31(4) . . ?
Au0K Au0G Au0Q 92.67(5) . . ?
Au0N Au0G Au0Q 147.38(6) . . ?
S00Y Au0G Au02 149.6(2) . . ?
S00Y Au0G Au05 95.4(2) . . ?
S00Y Au0G Au09 129.8(2) . . ?
S00Y Au0G Au0E 150.3(2) . . ?
S00Y Au0G Au0K 93.2(2) . . ?
S00Y Au0G Au0N 122.9(2) . . ?
S00Y Au0G Au0Q 44.6(2) . . ?
Au02 Au0H Au06 102.98(5) . . ?
Au02 Au0H Au08 56.86(4) . . ?
Au02 Au0H Au0I 57.44(4) . . ?
Au02 Au0H Au0J 57.54(4) . . ?
Au03 Au0H Au02 60.29(5) . . ?
Au03 Au0H Au06 58.73(4) . . ?
Au03 Au0H Au08 65.32(4) . . ?
Au03 Au0H Au0I 57.23(4) . . ?
Au03 Au0H Au0J 109.43(6) . . ?
Au06 Au0H Au08 57.79(4) . . ?
Au0I Au0H Au06 113.55(6) . . ?
Au0I Au0H Au08 107.05(5) . . ?
Au0J Au0H Au06 107.71(6) . . ?
Au0J Au0H Au08 54.80(4) . . ?
Au0J Au0H Au0I 108.01(6) . . ?
Au0O Au0H Au02 59.85(5) . . ?
Au0O Au0H Au03 108.73(6) . . ?
Au0O Au0H Au06 162.80(6) . . ?
Au0O Au0H Au08 107.34(5) . . ?
Au0O Au0H Au0I 59.80(5) . . ?
Au0O Au0H Au0J 63.41(5) . . ?
S00V Au0H Au02 149.3(2) . . ?
S00V Au0H Au03 104.5(2) . . ?
S00V Au0H Au06 49.9(2) . . ?
S00V Au0H Au08 93.0(2) . . ?
S00V Au0H Au0I 139.9(2) . . ?
S00V Au0H Au0J 111.9(2) . . ?
S00V Au0H Au0O 145.9(2) . . ?
Au02 Au0I Au09 58.57(4) . . ?
Au02 Au0I Au0E 57.05(4) . . ?
Au02 Au0I Au0H 58.68(4) . . ?
Au02 Au0I Au0L 121.95(6) . . ?
Au02 Au0I Au0O 59.23(5) . . ?
Au03 Au0I Au02 61.16(5) . . ?
Au03 Au0I Au09 59.78(4) . . ?
Au03 Au0I Au0E 106.02(5) . . ?
Au03 Au0I Au0H 58.36(4) . . ?
Au03 Au0I Au0L 61.70(4) . . ?
Au03 Au0I Au0O 107.16(6) . . ?
Au09 Au0I Au0L 84.57(5) . . ?
Au0E Au0I Au09 55.53(4) . . ?
Au0E Au0I Au0L 134.93(6) . . ?
Au0H Au0I Au09 106.13(5) . . ?
Au0H Au0I Au0E 111.32(5) . . ?
Au0H Au0I Au0L 98.32(5) . . ?
Au0O Au0I Au09 112.96(6) . . ?
Au0O Au0I Au0E 71.48(5) . . ?
Au0O Au0I Au0H 56.86(5) . . ?
Au0O Au0I Au0L 152.03(6) . . ?
S00Z Au0I Au02 149.9(2) . . ?
S00Z Au0I Au03 103.7(2) . . ?
S00Z Au0I Au09 91.4(2) . . ?
S00Z Au0I Au0E 109.6(2) . . ?
S00Z Au0I Au0H 138.5(2) . . ?
S00Z Au0I Au0L 45.3(2) . . ?
S00Z Au0I Au0O 147.4(2) . . ?
Au02 Au0J Au08 62.79(5) . . ?
Au02 Au0J Au0H 59.91(4) . . ?
Au02 Au0J Au0K 60.46(5) . . ?
Au02 Au0J Au0N 57.15(5) . . ?
Au02 Au0J Au0O 58.15(4) . . ?
Au08 Au0J Au0H 69.08(5) . . ?
Au08 Au0J Au0K 59.83(5) . . ?
Au08 Au0J Au0N 108.31(6) . . ?
Au08 Au0J Au0O 113.24(6) . . ?
Au0H Au0J Au0N 106.91(6) . . ?
Au0H Au0J Au0O 56.41(5) . . ?
Au0K Au0J Au0H 113.65(6) . . ?
Au0K Au0J Au0N 58.67(5) . . ?
Au0K Au0J Au0O 109.59(6) . . ?
Au0N Au0J Au0O 61.03(5) . . ?
S018 Au0J Au02 154.7(3) . . ?
S018 Au0J Au08 93.7(3) . . ?
S018 Au0J Au0H 122.7(3) . . ?
S018 Au0J Au0K 100.8(3) . . ?
S018 Au0J Au0N 130.2(3) . . ?
S018 Au0J Au0O 146.6(3) . . ?
Au02 Au0K Au05 58.79(4) . . ?
Au02 Au0K Au08 61.94(5) . . ?
Au02 Au0K Au0G 57.87(4) . . ?
Au02 Au0K Au0J 57.91(4) . . ?
Au02 Au0K Au0N 57.65(5) . . ?
Au02 Au0K Au0P 140.80(6) . . ?
Au08 Au0K Au05 56.45(4) . . ?
Au08 Au0K Au0G 104.62(6) . . ?
Au08 Au0K Au0J 59.93(5) . . ?
Au08 Au0K Au0N 111.46(6) . . ?
Au08 Au0K Au0P 95.91(6) . . ?
Au0G Au0K Au05 55.58(4) . . ?
Au0G Au0K Au0P 103.36(6) . . ?
Au0J Au0K Au05 104.35(5) . . ?
Au0J Au0K Au0G 112.31(6) . . ?
Au0J Au0K Au0P 140.61(6) . . ?
Au0N Au0K Au05 109.70(6) . . ?
Au0N Au0K Au0G 67.26(5) . . ?
Au0N Au0K Au0J 62.43(5) . . ?
Au0N Au0K Au0P 152.40(6) . . ?
Au0P Au0K Au05 82.08(5) . . ?
S016 Au0K Au02 155.8(3) . . ?
S016 Au0K Au05 122.4(3) . . ?
S016 Au0K Au08 141.3(3) . . ?
S016 Au0K Au0G 101.4(2) . . ?
S016 Au0K Au0J 132.5(3) . . ?
S016 Au0K Au0N 104.8(3) . . ?
S016 Au0K Au0P 50.0(3) . . ?
Au03 Au0L Au04 50.12(4) . . ?
Au03 Au0L Au0I 50.85(4) . . ?
Au0I Au0L Au04 100.36(5) . . ?
S00Z Au0L Au03 93.3(2) . . ?
S00Z Au0L Au04 143.0(2) . . ?
S00Z Au0L Au0I 45.2(2) . . ?
S00Z Au0L S014 172.9(3) . . ?
S014 Au0L Au03 93.7(2) . . ?
S014 Au0L Au04 44.1(2) . . ?
S014 Au0L Au0I 141.0(2) . . ?
Au01 Au0M Au0A 57.65(4) . . ?
Au01 Au0M Au0B 55.81(4) . . ?
Au01 Au0M Au0C 54.42(4) . . ?
Au01 Au0M Au0D 54.78(4) . . ?
Au01 Au0M Au0F 60.17(5) . . ?
Au0A Au0M Au0B 60.10(4) . . ?
Au0A Au0M Au0C 102.73(5) . . ?
Au0A Au0M Au0D 107.87(5) . . ?
Au0B Au0M Au0C 103.25(5) . . ?
Au0B Au0M Au0D 63.47(4) . . ?
Au0D Au0M Au0C 52.87(4) . . ?
Au0F Au0M Au0A 60.12(5) . . ?
Au0F Au0M Au0B 108.00(6) . . ?
Au0F Au0M Au0C 57.28(4) . . ?
Au0F Au0M Au0D 102.55(5) . . ?
S00W Au0M Au01 153.8(2) . . ?
S00W Au0M Au0A 136.6(3) . . ?
S00W Au0M Au0B 108.0(2) . . ?
S00W Au0M Au0C 120.6(3) . . ?
S00W Au0M Au0D 100.5(2) . . ?
S00W Au0M Au0F 143.1(2) . . ?
Au02 Au0N Au0E 56.31(4) . . ?
Au02 Au0N Au0G 55.25(4) . . ?
Au02 Au0N Au0J 57.62(5) . . ?
Au02 Au0N Au0K 60.71(5) . . ?
Au02 Au0N Au0O 57.86(5) . . ?
Au0E Au0N Au0G 52.94(4) . . ?
Au0J Au0N Au0E 110.24(6) . . ?
Au0J Au0N Au0G 102.41(5) . . ?
Au0J Au0N Au0O 59.88(5) . . ?
Au0K Au0N Au0E 103.45(6) . . ?
Au0K Au0N Au0G 57.43(4) . . ?
Au0K Au0N Au0J 58.89(5) . . ?
Au0K Au0N Au0O 108.82(6) . . ?
Au0O Au0N Au0E 68.27(5) . . ?
Au0O Au0N Au0G 107.08(5) . . ?
P017 Au0N Au02 173.2(2) . . ?
P017 Au0N Au0E 119.4(2) . . ?
P017 Au0N Au0G 127.7(2) . . ?
P017 Au0N Au0J 123.8(2) . . ?
P017 Au0N Au0K 126.1(2) . . ?
P017 Au0N Au0O 116.3(2) . . ?
Au02 Au0O Au0I 58.88(5) . . ?
Au02 Au0O Au0J 56.78(4) . . ?
Au02 Au0O Au0N 56.04(4) . . ?
Au0H Au0O Au02 60.84(5) . . ?
Au0H Au0O Au0I 63.34(5) . . ?
Au0H Au0O Au0J 60.18(5) . . ?
Au0H Au0O Au0N 108.39(6) . . ?
Au0I Au0O Au0J 108.24(6) . . ?
Au0I Au0O Au0N 105.28(5) . . ?
Au0J Au0O Au0N 59.09(5) . . ?
S019 Au0O Au02 159.7(2) . . ?
S019 Au0O Au0H 137.5(3) . . ?
S019 Au0O Au0I 116.6(3) . . ?
S019 Au0O Au0J 134.7(3) . . ?
S019 Au0O Au0N 111.9(3) . . ?
Au0K Au0P Au0F 82.67(5) . . ?
S012 Au0P Au0F 47.13(19) . . ?
S012 Au0P Au0K 129.8(2) . . ?
S012 Au0P S016 176.7(3) . . ?
S016 Au0P Au0F 135.0(2) . . ?
S016 Au0P Au0K 52.4(2) . . ?
Au05 Au0Q Au0C 54.23(4) . . ?
Au05 Au0Q Au0G 53.00(4) . . ?
Au0C Au0Q Au0G 105.38(5) . . ?
S00X Au0Q Au05 99.2(2) . . ?
S00X Au0Q Au0C 45.5(2) . . ?
S00X Au0Q Au0G 144.1(2) . . ?
S00X Au0Q S00Y 166.7(3) . . ?
S00Y Au0Q Au05 93.6(2) . . ?
S00Y Au0Q Au0C 147.7(2) . . ?
S00Y Au0Q Au0G 45.3(2) . . ?
Au08 Au0R Au0A 53.75(4) . . ?
S011 Au0R Au08 99.8(2) . . ?
S011 Au0R Au0A 46.3(2) . . ?
S011 Au0R S018 167.7(4) . . ?
S018 Au0R Au08 91.7(3) . . ?
S018 Au0R Au0A 145.4(3) . . ?
S00W Cd0S S010 112.3(3) . . ?
S00W Cd0S S015 108.0(3) . . ?
S010 Cd0S S015 113.4(3) . . ?
Cl01 Cd0S S00W 108.6(4) . . ?
Cl01 Cd0S S010 102.9(3) . . ?
Cl01 Cd0S S015 111.5(3) . . ?
C01K Fe00 C01Q 68.8(13) . . ?
C01K Fe00 C034 117.0(14) . . ?
C01Q Fe00 C034 131.3(12) . . ?
C01S Fe00 C01K 109.3(15) . . ?
C01S Fe00 C01Q 170.5(13) . . ?
C01S Fe00 C026 133.1(13) . . ?
C01S Fe00 C030 42.0(12) . . ?
C01S Fe00 C031 70.1(14) . . ?
C01S Fe00 C034 40.5(13) . . ?
C01S Fe00 C03A 66.7(15) . . ?
C021 Fe00 C01K 67.7(13) . . ?
C021 Fe00 C01Q 41.5(12) . . ?
C021 Fe00 C01S 147.3(14) . . ?
C021 Fe00 C026 65.8(13) . . ?
C021 Fe00 C030 115.4(13) . . ?
C021 Fe00 C031 108.1(12) . . ?
C021 Fe00 C034 170.9(13) . . ?
C021 Fe00 C03A 134.4(13) . . ?
C026 Fe00 C01K 38.6(13) . . ?
C026 Fe00 C01Q 40.0(12) . . ?
C026 Fe00 C034 112.5(14) . . ?
C02E Fe00 C01K 41.7(12) . . ?
C02E Fe00 C01Q 70.4(12) . . ?
C02E Fe00 C01S 114.7(15) . . ?
C02E Fe00 C021 40.6(11) . . ?
C02E Fe00 C026 67.0(13) . . ?
C02E Fe00 C030 108.6(13) . . ?
C02E Fe00 C031 130.5(12) . . ?
C02E Fe00 C034 148.1(13) . . ?
C02E Fe00 C03A 172.1(12) . . ?
C030 Fe00 C01K 134.0(13) . . ?
C030 Fe00 C01Q 145.8(13) . . ?
C030 Fe00 C026 172.3(13) . . ?
C030 Fe00 C031 40.2(12) . . ?
C030 Fe00 C034 67.6(14) . . ?
C030 Fe00 C03A 66.9(13) . . ?
C031 Fe00 C01K 171.6(13) . . ?
C031 Fe00 C01Q 113.3(12) . . ?
C031 Fe00 C026 147.4(13) . . ?
C031 Fe00 C034 68.2(13) . . ?
C03A Fe00 C01K 146.1(13) . . ?
C03A Fe00 C01Q 109.4(13) . . ?
C03A Fe00 C026 118.3(14) . . ?
C03A Fe00 C031 41.9(11) . . ?
C03A Fe00 C034 37.5(13) . . ?
Au09 S00U Au07 77.6(2) . . ?
C01B S00U Au07 106.6(9) . . ?
C01B S00U Au09 115.7(9) . . ?
Au06 S00V Au0H 79.3(2) . . ?
C02H S00V Au06 109.1(12) . . ?
C02H S00V Au0H 109.5(11) . . ?
Au0M S00W Cd0S 90.6(3) . . ?
C75 S00W Au0M 112.4(12) . . ?
C75 S00W Cd0S 108.0(10) . . ?
Au0Q S00X Au0C 89.9(3) . . ?
C02G S00X Au0C 113.9(13) . . ?
C02G S00X Au0Q 109.3(15) . . ?
Au0Q S00Y Au0G 90.1(3) . . ?
C59 S00Y Au0G 113.9(11) . . ?
C59 S00Y Au0Q 104.6(12) . . ?
Au0I S00Z Au0L 89.5(3) . . ?
C01H S00Z Au0I 107.8(10) . . ?
C01H S00Z Au0L 108.4(11) . . ?
Au0D S010 Cd0S 91.6(3) . . ?
C02F S010 Au0D 105.2(12) . . ?
C02F S010 Cd0S 111.1(12) . . ?
Au0R S011 Au0A 88.4(3) . . ?
C02O S011 Au0A 107.9(7) . . ?
C02O S011 Au0R 109.0(8) . . ?
Au0P S012 Au0F 88.0(3) . . ?
C01M S012 Au0F 108.6(9) . . ?
C01M S012 Au0P 104.7(10) . . ?
C031 P013 Au0E 110.0(11) . . ?
C031 P013 C56 110.1(17) . . ?
C031 P013 C68 105.4(12) . . ?
C56 P013 Au0E 117.9(12) . . ?
C56 P013 C68 104.8(14) . . ?
C68 P013 Au0E 107.8(8) . . ?
Au0L S014 Au04 92.2(3) . . ?
C31 S014 Au04 112.8(12) . . ?
C31 S014 Au0L 104.5(12) . . ?
Au0B S015 Cd0S 91.9(3) . . ?
C03D S015 Au0B 105.6(11) . . ?
C03D S015 Cd0S 110.7(11) . . ?
Au0P S016 Au0K 77.6(3) . . ?
C02S S016 Au0K 111.1(9) . . ?
C02S S016 Au0P 105.5(9) . . ?
C01L P017 Au0N 110.6(12) . . ?
C01L P017 C02X 107.4(14) . . ?
C02E P017 Au0N 114.4(10) . . ?
C02E P017 C01L 106.1(14) . . ?
C02E P017 C02X 102.9(12) . . ?
C02X P017 Au0N 114.6(8) . . ?
Au0R S018 Au0J 96.8(4) . . ?
C2AA S018 Au0J 114.9(9) . . ?
C2AA S018 Au0R 106.0(9) . . ?
C5AA S019 Au0O 103.7(12) . . ?
C02A C01B S00U 107(2) . . ?
C02A C01B C03F 108(3) . . ?
C02A C01B C66 110(3) . . ?
C03F C01B S00U 113.1(19) . . ?
C03F C01B C66 109(2) . . ?
C66 C01B S00U 109.9(19) . . ?
C02F C01E C74 110(3) . . ?
C02B C01F C01M 109(3) . . ?
C44 C01G C59 104(3) . . ?
C02L C01H S00Z 105.7(19) . . ?
C02L C01H C65 113(3) . . ?
C60 C01H S00Z 113.1(19) . . ?
C60 C01H C02L 109(3) . . ?
C60 C01H C65 110(3) . . ?
C65 C01H S00Z 106(2) . . ?
C01Z C01I C93 106(3) . . ?
C01Z C01I C94 111(3) . . ?
C93 C01I C94 115(3) . . ?
C01V C01J C023 105(3) . . ?
C026 C01K Fe00 70(2) . . ?
C026 C01K C02E 105(3) . . ?
C02E C01K Fe00 65.9(17) . . ?
C02K C01L P017 118(3) . . ?
C02K C01L C02M 118(3) . . ?
C02M C01L P017 124(3) . . ?
C01F C01M S012 107(2) . . ?
C01F C01M C5BA 107(3) . . ?
C020 C01M S012 109.2(19) . . ?
C020 C01M C01F 110(2) . . ?
C020 C01M C5BA 111(3) . . ?
C5BA C01M S012 112(2) . . ?
C023 C01O C02B 112(3) . . ?
C7BA C01P C31 104(2) . . ?
C021 C01Q Fe00 65.9(16) . . ?
C026 C01Q Fe00 69(2) . . ?
C026 C01Q C021 100(3) . . ?
C5AA C01R C87 104(3) . . ?
C030 C01S Fe00 69.5(19) . . ?
C034 C01S Fe00 73(2) . . ?
C034 C01S C030 106(3) . . ?
C71 C01V C01J 110(3) . . ?
C5BA C01V C01J 111(3) . . ?
C5BA C01V C71 109(3) . . ?
C02F C01W C40 115(3) . . ?
C02H C01X C55 110(2) . . ?
C01I C01Z C02F 119(3) . . ?
C023 C020 C01M 108(2) . . ?
C01Q C021 Fe00 72.6(17) . . ?
C02E C021 Fe00 69.7(16) . . ?
C02E C021 C01Q 113(3) . . ?
C57 C022 C60 113(2) . . ?
C73 C022 C57 110.3(8) . . ?
C73 C022 C60 103(2) . . ?
C01O C023 C01J 111(3) . . ?
C01O C023 C020 111(3) . . ?
C020 C023 C01J 110(3) . . ?
C02J C024 C02H 106(3) . . ?
C03D C025 C02N 106(2) . . ?
C01K C026 Fe00 72(2) . . ?
C01K C026 C01Q 115(3) . . ?
C01Q C026 Fe00 71(2) . . ?
C64 C029 C56 120(3) . . ?
C01B C02A C9DA 118(3) . . ?
C01F C02B C01O 107(3) . . ?
C01F C02B C71 111(3) . . ?
C71 C02B C01O 105(3) . . ?
C59 C02C C77 109(3) . . ?
C70 C02D C03F 108(3) . . ?
C76 C02D C03F 106(3) . . ?
C76 C02D C70 114(4) . . ?
P017 C02E Fe00 126.4(15) . . ?
C01K C02E Fe00 72.5(18) . . ?
C01K C02E P017 131(2) . . ?
C021 C02E Fe00 69.8(16) . . ?
C021 C02E P017 122(2) . . ?
C021 C02E C01K 107(3) . . ?
C01E C02F S010 111(2) . . ?
C01W C02F S010 112(2) . . ?
C01W C02F C01E 106(3) . . ?
C01W C02F C01Z 106(3) . . ?
C01Z C02F S010 117(2) . . ?
C01Z C02F C01E 103(3) . . ?
C02V C02G S00X 110(2) . . ?
C02V C02G C8DA 103(3) . . ?
C90 C02G S00X 109(3) . . ?
C90 C02G C02V 106(3) . . ?
C90 C02G C8DA 121(3) . . ?
C8DA C02G S00X 107(3) . . ?
C01X C02H S00V 114(2) . . ?
C01X C02H C024 102(3) . . ?
C024 C02H S00V 108(2) . . ?
C95 C02H S00V 114(2) . . ?
C95 C02H C01X 110(3) . . ?
C95 C02H C024 109(3) . . ?
C6BA C02I C2EA 122(4) . . ?
C024 C02J C0BA 112(3) . . ?
C86 C02J C024 114(3) . . ?
C86 C02J C0BA 117(3) . . ?
C2EA C02K C01L 122(4) . . ?
C91 C02L C01H 102(2) . . ?
C6BA C02M C01L 118(4) . . ?
C02Z C02N C025 110(3) . . ?
C99 C02N C025 112(3) . . ?
C99 C02N C02Z 114(3) . . ?
C5CA C02O S011 106.1(12) . . ?
C5CA C02O C1CA 108.6(7) . . ?
C1EA C02O S011 105.7(13) . . ?
C1EA C02O C5CA 110.0(7) . . ?
C1EA C02O C1CA 110.0(7) . . ?
C1CA C02O S011 116.3(12) . . ?
C02Z C02P C033 111(2) . . ?
C72 C02P C02Z 108(3) . . ?
C72 C02P C033 107(3) . . ?
C80 C02Q C56 117(3) . . ?
C02U C02R C62 109(3) . . ?
C02U C02R C79 105(3) . . ?
C62 C02R C79 108(3) . . ?
C4AA C02S S016 111.0(15) . . ?
C4AA C02S C5EA 113.4(13) . . ?
C8CA C02S S016 106.8(13) . . ?
C8CA C02S C4AA 108.0(17) . . ?
C8CA C02S C5EA 106.7(16) . . ?
C5EA C02S S016 110.6(15) . . ?
C47 C02T C72 112(3) . . ?
C99 C02T C47 113(3) . . ?
C99 C02T C72 105(3) . . ?
C02R C02U C31 115(3) . . ?
C7DA C02V C02G 105(3) . . ?
C89 C02W C81 98(3) . . ?
C01Y C02X P017 117.8(13) . . ?
C01Y C02X C038 120.0 . . ?
C038 C02X P017 122.2(13) . . ?
C02X C01Y C84 120.0 . . ?
C7CA C84 C01Y 120.0 . . ?
C84 C7CA C027 120.0 . . ?
C038 C027 C7CA 120.0 . . ?
C027 C038 C02X 120.0 . . ?
C83 C02Y C77 104(3) . . ?
C02P C02Z C02N 106(3) . . ?
C01S C030 Fe00 69(2) . . ?
C031 C030 Fe00 70.5(18) . . ?
C031 C030 C01S 110(3) . . ?
P013 C031 Fe00 122.2(15) . . ?
C030 C031 Fe00 69.3(18) . . ?
C030 C031 P013 127(2) . . ?
C030 C031 C03A 103(3) . . ?
C03A C031 Fe00 69(2) . . ?
C03A C031 P013 129(3) . . ?
C03D C033 C02P 111(3) . . ?
C01S C034 Fe00 67(2) . . ?
C03A C034 Fe00 69(2) . . ?
C03A C034 C01S 108(3) . . ?
C31 C037 C03C 113(3) . . ?
C031 C03A Fe00 69.2(19) . . ?
C034 C03A Fe00 74(2) . . ?
C034 C03A C031 113(3) . . ?
C037 C03C C7EA 108(3) . . ?
C79 C03C C037 108(3) . . ?
C79 C03C C7EA 100(3) . . ?
C025 C03D S015 115(2) . . ?
C025 C03D C033 113(3) . . ?
C025 C03D C47 107(3) . . ?
C033 C03D S015 106(2) . . ?
C033 C03D C47 105(2) . . ?
C47 C03D S015 110(2) . . ?
C01B C03F C02D 109(3) . . ?
C94 C40 C01W 103(2) . . ?
C94 C40 C88 110(3) . . ?
C88 C40 C01W 108(3) . . ?
C63 C44 C01G 114(3) . . ?
C63 C44 C1BA 106(3) . . ?
C1BA C44 C01G 111(3) . . ?
C02T C47 C03D 105(3) . . ?
C83 C48 C59 106(3) . . ?
C69 C51 C91 109.4(8) . . ?
C85 C55 C01X 114(3) . . ?
C86 C55 C01X 103(3) . . ?
C86 C55 C85 113(3) . . ?
C029 C56 P013 119(2) . . ?
C029 C56 C02Q 119(3) . . ?
C02Q C56 P013 121(3) . . ?
C022 C57 C69 109.8(8) . . ?
C01G C59 S00Y 109(2) . . ?
C02C C59 S00Y 110(2) . . ?
C02C C59 C01G 106(3) . . ?
C02C C59 C48 116(3) . . ?
C48 C59 S00Y 107(2) . . ?
C48 C59 C01G 109(3) . . ?
C01H C60 C022 110(2) . . ?
C44 C63 C77 117(3) . . ?
C029 C64 C4CA 122(3) . . ?
C69 C65 C01H 106(2) . . ?
C4BA C66 C01B 111(4) . . ?
C51 C69 C57 109.7(8) . . ?
C65 C69 C51 110(2) . . ?
C65 C69 C57 109.9(19) . . ?
C02B C71 C01V 114(3) . . ?
C02P C72 C02T 112(3) . . ?
C022 C73 C91 110.0(8) . . ?
C93 C74 C01E 109(3) . . ?
C88 C74 C01E 111(3) . . ?
C88 C74 C93 116(3) . . ?
C98 C75 S00W 108.0(18) . . ?
C98 C75 C9EA 108.7(16) . . ?
C9EA C75 S00W 112(2) . . ?
C110 C75 S00W 106.1(17) . . ?
C110 C75 C98 117(3) . . ?
C110 C75 C9EA 105(2) . . ?
C02Y C77 C02C 99(3) . . ?
C63 C77 C02C 106(3) . . ?
C63 C77 C02Y 115(3) . . ?
C81 C78 C7DA 101(3) . . ?
C02Q C80 C4CA 122(3) . . ?
C02W C81 C90 110(3) . . ?
C78 C81 C02W 124(4) . . ?
C78 C81 C90 105(3) . . ?
C02Y C83 C48 105(3) . . ?
C1BA C83 C02Y 117(3) . . ?
C1BA C83 C48 108(3) . . ?
C55 C85 C96 107(3) . . ?
C02J C86 C55 104(3) . . ?
C8AA C87 C01R 113(3) . . ?
C8AA C87 C9AA 120(3) . . ?
C9AA C87 C01R 105(3) . . ?
C92 C89 C02W 118(4) . . ?
C92 C89 C8DA 110(3) . . ?
C8DA C89 C02W 118(4) . . ?
C02G C90 C81 102(3) . . ?
C51 C91 C02L 112(2) . . ?
C73 C91 C02L 112.1(19) . . ?
C73 C91 C51 109.7(8) . . ?
C7DA C92 C89 106(4) . . ?
C74 C93 C01I 102(3) . . ?
C40 C94 C01I 107(3) . . ?
C96 C95 C02H 109(3) . . ?
C85 C96 C95 112(3) . . ?
C0BA C96 C85 110(3) . . ?
C0BA C96 C95 114(3) . . ?
C02N C99 C02T 111(3) . . ?
C01P C31 S014 105(2) . . ?
C02U C31 S014 117(2) . . ?
C02U C31 C01P 102(3) . . ?
C037 C31 S014 113(3) . . ?
C037 C31 C01P 111(3) . . ?
C037 C31 C02U 108(3) . . ?
C3CA C61 C5AA 108(3) . . ?
C7BA C62 C02R 107(3) . . ?
C2AA C3AA C119 108.2(12) . . ?
C62 C7BA C01P 111(3) . . ?
C62 C7BA C7EA 121(3) . . ?
C7EA C7BA C01P 107(3) . . ?
C032 C68 P013 124.8(12) . . ?
C032 C68 C2BA 120.0 . . ?
C2BA C68 P013 115.0(12) . . ?
C01N C032 C68 120.0 . . ?
C032 C01N C01T 120.0 . . ?
C3BA C01T C01N 120.0 . . ?
C2BA C3BA C01T 120.0 . . ?
C3BA C2BA C68 120.0 . . ?
C7AA C8AA C87 105(4) . . ?
C4BA C70 C02D 111(4) . . ?
C87 C9AA C3CA 105(3) . . ?
C3AA C2AA S018 109.3(15) . . ?
C3AA C2AA C0DA 109.8(9) . . ?
C0DA C2AA S018 102.8(14) . . ?
C100 C2AA S018 113.8(14) . . ?
C100 C2AA C3AA 110.4(8) . . ?
C100 C2AA C0DA 110.5(9) . . ?
C66 C4BA C70 128(5) . . ?
C66 C4BA C6EA 102(4) . . ?
C70 C4BA C6EA 101(4) . . ?
C02D C76 C9DA 110(3) . . ?
C03C C79 C02R 122(3) . . ?
C0AA C1AA C0EA 110.5(5) . . ?
C01R C5AA S019 117(3) . . ?
C01R C5AA C61 117(3) . . ?
C01R C5AA C6AA 121(4) . . ?
C61 C5AA S019 104(2) . . ?
C6AA C5AA S019 98(2) . . ?
C6AA C5AA C61 97(3) . . ?
C8EA C82 C0EA 110.6(5) . . ?
C83 C1BA C44 114(3) . . ?
C8AA C7AA C6AA 109(3) . . ?
C8AA C7AA C2CA 123(3) . . ?
C2CA C7AA C6AA 100(3) . . ?
C74 C88 C40 109(3) . . ?
C01V C5BA C01M 107(3) . . ?
C96 C0BA C02J 101(3) . . ?
C5AA C6AA C7AA 102(3) . . ?
C1AA C0AA C1EA 110.3(12) . . ?
C6CA C0AA C1AA 110.4(6) . . ?
C6CA C0AA C1EA 106.0(12) . . ?
C02I C6BA C02M 122(4) . . ?
C1DA C98 C75 106.4(18) . . ?
C02S C4AA C9CA 112.6(12) . . ?
C9BA C0CA C4EA 109.2(5) . . ?
C61 C3CA C9AA 112(3) . . ?
C61 C3CA C2CA 108(3) . . ?
C2CA C3CA C9AA 108(3) . . ?
C64 C4CA C80 120(3) . . ?
C0CA C9BA C5EA 105.4(16) . . ?
C8BA C9BA C0CA 109.6(6) . . ?
C8BA C9BA C5EA 110.2(9) . . ?
C9BA C8BA C9CA 110.2(6) . . ?
C7AA C2CA C3CA 109(3) . . ?
C3EA C97 C100 110.7(19) . . ?
C3EA C97 C195 109.4(7) . . ?
C195 C97 C100 108.5(9) . . ?
C4DA C3DA C1DA 108.6(11) . . ?
C98 C1DA C3DA 113(2) . . ?
C98 C1DA C2DA 111(2) . . ?
C3DA C1DA C2DA 108.7(15) . . ?
C5DA C2DA C1DA 108.3(14) . . ?
C2DA C5DA C110 109(2) . . ?
C6DA C5DA C2DA 114.3(13) . . ?
C6DA C5DA C110 99(3) . . ?
C0AA C6CA C8EA 110.8(5) . . ?
C02V C7DA C78 106(3) . . ?
C92 C7DA C02V 120(4) . . ?
C92 C7DA C78 111(3) . . ?
C89 C8DA C02G 98(3) . . ?
C4AA C9CA C179 105.0(15) . . ?
C8BA C9CA C4AA 110.2(8) . . ?
C8BA C9CA C179 110.1(6) . . ?
C02O C5CA C0EA 108.0(8) . . ?
C3DA C4DA C6DA 112.9(10) . . ?
C3DA C4DA C9EA 112.6(17) . . ?
C9EA C4DA C6DA 102(2) . . ?
C02A C9DA C76 110(4) . . ?
C02A C9DA C6EA 112(4) . . ?
C76 C9DA C6EA 101(4) . . ?
C02S C8CA C4EA 110.7(7) . . ?
C2AA C0DA C147 108.9(14) . . ?
C5DA C6DA C4DA 113.4(15) . . ?
C1AA C0EA C5CA 107.8(13) . . ?
C82 C0EA C1AA 109.8(6) . . ?
C82 C0EA C5CA 110.5(12) . . ?
C02O C1EA C0AA 110.1(8) . . ?
C02K C2EA C02I 117(4) . . ?
C02S C5EA C9BA 111.9(18) . . ?
C0CA C4EA C8CA 108.8(7) . . ?
C179 C4EA C0CA 108.9(6) . . ?
C179 C4EA C8CA 109.6(7) . . ?
C9DA C6EA C4BA 100(4) . . ?
C97 C3EA C147 109.6(8) . . ?
C7BA C7EA C03C 110(3) . . ?
C4DA C9EA C75 105.7(19) . . ?
C82 C8EA C6CA 110.6(6) . . ?
C82 C8EA C1CA 105.4(13) . . ?
C6CA C8EA C1CA 110.7(12) . . ?
C8EA C1CA C02O 109.8(8) . . ?
C2AA C100 C97 108.2(11) . . ?
C147 C101 C119 109.3(6) . . ?
C75 C110 C5DA 112(2) . . ?
C101 C119 C3AA 109.6(8) . . ?
C195 C119 C3AA 110.2(16) . . ?
C195 C119 C101 109.4(7) . . ?
C3EA C147 C0DA 109.1(19) . . ?
C101 C147 C0DA 109.9(9) . . ?
C101 C147 C3EA 109.2(7) . . ?
C119 C195 C97 109.5(7) . . ?
C4EA C179 C9CA 109.3(5) . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.000 -0.177 -0.177 2533.0 243.4 ?
2 0.340 0.768 0.601 38.8 0.0 ?
3 0.500 0.500 0.000 20.2 0.0 ?
4 0.660 0.232 0.399 38.8 0.0 ?

_olex2_submission_special_instructions 'No special instructions were received'
