# Supplementary Information (SI) for Nanoscale.
# This journal is © The Royal Society of Chemistry 2025

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

data_1
_database_code_depnum_ccdc_archive 'CCDC 2401397'
loop_
_audit_author_name
_audit_author_address
'Honglei Shen'
;Anhui university
China
;
_audit_update_record             
;
2025-01-12 deposited with the CCDC.	2025-01-16 downloaded from the CCDC.
;
_audit_creation_date             2025-01-10
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2019/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C83 H79 Au6 N4 P4 Pd S2, C41 H70 N16 Pd2 S8'
_chemical_formula_sum            'C124 H149 Au6 N20 P4 Pd3 S10'
_chemical_formula_weight         3865.10
_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'
N N 0.0311 0.0180 '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'
Pd Pd 0.1215 3.9337 '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                   16.7465(5)
_cell_length_b                   17.5624(5)
_cell_length_c                   26.3391(7)
_cell_angle_alpha                99.096(2)
_cell_angle_beta                 90.215(2)
_cell_angle_gamma                91.009(2)
_cell_volume                     7647.8(4)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    35935
_cell_measurement_temperature    120
_cell_measurement_theta_max      70.08
_cell_measurement_theta_min      5.29
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    15.349
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  1.0000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
STOE LANA, absorption correction by scaling of reflection intensities.
J. Koziskova, F. Hahn, J. Richter, J. Kozisek, "Comparison of different
absorption corrections on the model structure of tetrakis(μ₂-acetato)-
diaqua-di-copper(II)", Acta Chimica Slovaca, vol. 9, no. 2, 2016, pp. 136 - 140.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            black
_exptl_crystal_colour_primary    black
_exptl_crystal_density_diffrn    1.678
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3730
_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  0.0646
_diffrn_reflns_av_unetI/netI     0.0852
_diffrn_reflns_Laue_measured_fraction_full 0.961
_diffrn_reflns_Laue_measured_fraction_max 0.933
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            63120
_diffrn_reflns_point_group_measured_fraction_full 0.961
_diffrn_reflns_point_group_measured_fraction_max 0.933
_diffrn_reflns_theta_full        67.686
_diffrn_reflns_theta_max         70.227
_diffrn_reflns_theta_min         5.284
_diffrn_ambient_temperature      120
_diffrn_detector                 Pilatus300K
_diffrn_detector_area_resol_mean 5.81
_diffrn_detector_type            'DECTRIS PILATUS 300K'
_diffrn_measured_fraction_theta_full 0.961
_diffrn_measured_fraction_theta_max 0.933
_diffrn_measurement_details      '1775 frames, detector distance = 60 mm'
_diffrn_measurement_device       'Eulerian 4-circle diffractometer'
_diffrn_measurement_device_type  'STOE STADIVARI'
_diffrn_measurement_method       'rotation method, ω scans'
_diffrn_radiation_collimation    '1.2 mm, 0.6 diameter'
_diffrn_radiation_monochromator  'Graded multilayer mirror'
_diffrn_radiation_polarisn_norm  270
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54186
_diffrn_source                   'GeniX 3D HF Cu'
_diffrn_source_current           0.600
_diffrn_source_power             0.030
_diffrn_source_voltage           50
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                18424
_reflns_number_total             27202
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       
;
X-Area Recipe 1.37.0.0 (STOE, 2021)
;
_computing_data_collection       
;
X-Area Pilatus3_SV 1.31.175.0 (STOE, 2021)
;
_computing_data_reduction        
;
X-Area Integrate 2.5.1.0 (STOE, 2021)
X-Area LANA 2.6.2.0 (STOE, 2021)
;
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  
;
STOE & Cie GmbH, X-Area, software package for collecting single-crystal or
multi-domain crystal data on STOE area-detector diffractometers, for image 
processing, for the correction and scaling of reflection intensities and 
for outlier rejection, version 2.0, Darmstadt 2021
;
_computing_structure_refinement  'SHELXL 2019/3 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.5 (Bourhis et al., 2015)'
_refine_diff_density_max         3.819
_refine_diff_density_min         -4.188
_refine_diff_density_rms         0.293
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.961
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1370
_refine_ls_number_reflns         27202
_refine_ls_number_restraints     2934
_refine_ls_R_factor_all          0.0959
_refine_ls_R_factor_gt           0.0760
_refine_ls_restrained_S_all      0.922
_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)+(0.1550P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2060
_refine_ls_wR_factor_ref         0.2261
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Uiso/Uaniso restraints and constraints
C00U \\sim C01S \\sim C033 \\sim C010 \\sim C02K \\sim C011 \\sim C04I \\sim
C012 \\sim C04J \\sim C016 \\sim C044 \\sim C02A \\sim C03Y \\sim C02X \\sim
C05A \\sim C02Y \\sim C023 \\sim C039 \\sim C02R \\sim C01O \\sim C03S \\sim
C019 \\sim C02S \\sim C02O \\sim C03K \\sim C02L \\sim C049 \\sim C034 \\sim
C04Z \\sim C03L \\sim C03N \\sim C01Z \\sim C01X \\sim C01B \\sim C03Q \\sim
C01C \\sim C02B \\sim C03A \\sim C046 \\sim C04R \\sim C02G \\sim C04V \\sim
C03P \\sim C04E \\sim C02M \\sim C01P \\sim C02W \\sim C01D \\sim C03F \\sim
C02Z \\sim C03O \\sim C035 \\sim C042 \\sim C040 \\sim C04F \\sim C03V \\sim
C04M \\sim C01Y \\sim C055 \\sim C01E \\sim C05K \\sim C03W \\sim C03Z \\sim
C047 \\sim C01U \\sim C04P \\sim C021 \\sim C03X \\sim C036 \\sim C01Q \\sim
C04T \\sim C01F \\sim C03I \\sim C01G \\sim C02C \\sim C01H \\sim C050 \\sim
C01I \\sim C03D \\sim C038 \\sim C02D \\sim C04O \\sim C02H \\sim C04N \\sim
C030 \\sim C04D \\sim C03H \\sim C027 \\sim C02J \\sim C01K \\sim C02N \\sim
C01L \\sim C02U \\sim C02I \\sim C031 \\sim C024 \\sim C03B \\sim C03G \\sim
C03J \\sim C01W \\sim C03M \\sim C02F \\sim C03R \\sim C01M \\sim C041 \\sim
C01N \\sim C048 \\sim C01V \\sim C04A \\sim C029 \\sim C04G \\sim C026 \\sim
C04K \\sim C02V \\sim C04U \\sim C1 \\sim C052 \\sim C01R \\sim C056 \\sim C02Q
\\sim C05B \\sim C032 \\sim C14 \\sim C03E: within 3.8A with sigma of 0.01 and
sigma for terminal atoms of 0.02 within 3.8A
Uanis(C00U) \\sim Ueq, Uanis(C01S) \\sim Ueq, Uanis(C033) \\sim Ueq,
Uanis(C010) \\sim Ueq, Uanis(C02K) \\sim Ueq, Uanis(C011) \\sim Ueq,
Uanis(C04I) \\sim Ueq, Uanis(C012) \\sim Ueq, Uanis(C04J) \\sim Ueq,
Uanis(C016) \\sim Ueq, Uanis(C044) \\sim Ueq, Uanis(C02A) \\sim Ueq,
Uanis(C03Y) \\sim Ueq, Uanis(C02X) \\sim Ueq, Uanis(C05A) \\sim Ueq,
Uanis(C02Y) \\sim Ueq, Uanis(C023) \\sim Ueq, Uanis(C039) \\sim Ueq,
Uanis(C02R) \\sim Ueq, Uanis(C01O) \\sim Ueq, Uanis(C03S) \\sim Ueq,
Uanis(C019) \\sim Ueq, Uanis(C02S) \\sim Ueq, Uanis(C02O) \\sim Ueq,
Uanis(C03K) \\sim Ueq, Uanis(C02L) \\sim Ueq, Uanis(C049) \\sim Ueq,
Uanis(C034) \\sim Ueq, Uanis(C04Z) \\sim Ueq, Uanis(C03L) \\sim Ueq,
Uanis(C03N) \\sim Ueq, Uanis(C01Z) \\sim Ueq, Uanis(C01X) \\sim Ueq,
Uanis(C01B) \\sim Ueq, Uanis(C03Q) \\sim Ueq, Uanis(C01C) \\sim Ueq,
Uanis(C02B) \\sim Ueq, Uanis(C03A) \\sim Ueq, Uanis(C046) \\sim Ueq,
Uanis(C04R) \\sim Ueq, Uanis(C02G) \\sim Ueq, Uanis(C04V) \\sim Ueq,
Uanis(C03P) \\sim Ueq, Uanis(C04E) \\sim Ueq, Uanis(C02M) \\sim Ueq,
Uanis(C01P) \\sim Ueq, Uanis(C02W) \\sim Ueq, Uanis(C01D) \\sim Ueq,
Uanis(C03F) \\sim Ueq, Uanis(C02Z) \\sim Ueq, Uanis(C03O) \\sim Ueq,
Uanis(C035) \\sim Ueq, Uanis(C042) \\sim Ueq, Uanis(C040) \\sim Ueq,
Uanis(C04F) \\sim Ueq, Uanis(C03V) \\sim Ueq, Uanis(C04M) \\sim Ueq,
Uanis(C01Y) \\sim Ueq, Uanis(C055) \\sim Ueq, Uanis(C01E) \\sim Ueq,
Uanis(C05K) \\sim Ueq, Uanis(C03W) \\sim Ueq, Uanis(C03Z) \\sim Ueq,
Uanis(C047) \\sim Ueq, Uanis(C01U) \\sim Ueq, Uanis(C04P) \\sim Ueq,
Uanis(C021) \\sim Ueq, Uanis(C03X) \\sim Ueq, Uanis(C036) \\sim Ueq,
Uanis(C01Q) \\sim Ueq, Uanis(C04T) \\sim Ueq, Uanis(C01F) \\sim Ueq,
Uanis(C03I) \\sim Ueq, Uanis(C01G) \\sim Ueq, Uanis(C02C) \\sim Ueq,
Uanis(C01H) \\sim Ueq, Uanis(C050) \\sim Ueq, Uanis(C01I) \\sim Ueq,
Uanis(C03D) \\sim Ueq, Uanis(C038) \\sim Ueq, Uanis(C02D) \\sim Ueq,
Uanis(C04O) \\sim Ueq, Uanis(C02H) \\sim Ueq, Uanis(C04N) \\sim Ueq,
Uanis(C030) \\sim Ueq, Uanis(C04D) \\sim Ueq, Uanis(C03H) \\sim Ueq,
Uanis(C027) \\sim Ueq, Uanis(C02J) \\sim Ueq, Uanis(C01K) \\sim Ueq,
Uanis(C02N) \\sim Ueq, Uanis(C01L) \\sim Ueq, Uanis(C02U) \\sim Ueq,
Uanis(C02I) \\sim Ueq, Uanis(C031) \\sim Ueq, Uanis(C024) \\sim Ueq,
Uanis(C03B) \\sim Ueq, Uanis(C03G) \\sim Ueq, Uanis(C03J) \\sim Ueq,
Uanis(C01W) \\sim Ueq, Uanis(C03M) \\sim Ueq, Uanis(C02F) \\sim Ueq,
Uanis(C03R) \\sim Ueq, Uanis(C01M) \\sim Ueq, Uanis(C041) \\sim Ueq,
Uanis(C01N) \\sim Ueq, Uanis(C048) \\sim Ueq, Uanis(C01V) \\sim Ueq,
Uanis(C04A) \\sim Ueq, Uanis(C029) \\sim Ueq, Uanis(C04G) \\sim Ueq,
Uanis(C026) \\sim Ueq, Uanis(C04K) \\sim Ueq, Uanis(C02V) \\sim Ueq,
Uanis(C04U) \\sim Ueq, Uanis(C1) \\sim Ueq, Uanis(C052) \\sim Ueq, Uanis(C01R)
\\sim Ueq, Uanis(C056) \\sim Ueq, Uanis(C02Q) \\sim Ueq, Uanis(C05B) \\sim Ueq,
Uanis(C032) \\sim Ueq, Uanis(C14) \\sim Ueq, Uanis(C03E) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
3.a Secondary CH2 refined with riding coordinates:
 C01M(H01C,H01E), C01S(H01F,H01G), C01X(H01A,H01B), C02D(H02B,H02C), C02G(H02D,
 H02E), C02J(H02G,H02J), C02N(H02M,H02N), C02U(H02O,H02P), C02W(H02Q,H02S),
 C031(H03K,H03M), C033(H03B,H03C), C03B(H03O,H03R), C03F(H03S,H03T), C03J(H03U,
 H03Y), C03K(H03,H), C03M(H2,HA), C03O(H3,HB), C03R(H4,HC), C03Y(H03F,H03J),
 C042(H04K,H04L), C048(H04M,H04Q), C049(H04S,H04U), C04F(H04Z,HD), C04K(H04A,
 H04B), C04U(H04C,H04F), C052(H05A,H05B)
3.b Aromatic/amide H refined with riding coordinates:
 N00S(H00S), N00W(H00W), N00Y(H00Y), N015(H015), C016(H016), C02A(H02A),
 C02X(H02X), C02Y(H02Y), C039(H039), C019(H019), C02L(H02L), C034(H034),
 C03L(H03L), C01Z(H01Z), C03A(H03A), C04R(H04R), C04V(H04V), C04E(H04E),
 C01P(H01P), C01D(H01D), C02Z(H02Z), C035(H035), C040(H040), C03V(H03V),
 C03W(H03W), C047(H047), C04P(H04P), C03X(H03X), C01Q(H01Q), C038(H038),
 C04O(H04O), C04N(H04N), C04D(H04D), C027(H027), C02I(H02I), C024(H024),
 C03G(H03G), C01W(H01W), C02F(H02F), C01V(H01V), C029(H029), C026(H026),
 C02V(H02V), C1(H1), C01R(H01R), C032(H032), C03E(H03E), C03N(H03N), C03Z(H03Z),
  N01T(H01T), C036(H036), C03Q(H03Q), C04T(H04T), C04J(H04J), C03I(H03I),
 C02R(H02R), C050(H050), C046(H046), C03D(H03D), C02K(H02K), C02H(H02H),
 C030(H030), C03P(H03P), C03H(H03H), C044(H044), N043(H043), C14(H14)
3.c Fitted hexagon refined as free rotating group:
 C016(C02A,C02X,C02Y,C039,C01O), C019(C02O,C02L,C034,C03L,C01Z), C01C(C03A,
 C04R,C04V,C04E,C01P), C01D(C02Z,C035,C040,C03V,C01Y), C01E(C03W,C047,C04P,C03X,
 C01Q), C01I(C038,C04O,C04N,C04D,C027), C01L(C02I,C024,C03G,C01W,C02F),
 C01N(C01V,C029,C026,C02V,C1), C01R(C02Q,C032,C03E,C03N,C03Z), C023(C036,C03Q,
 C04T,C04J,C03I), C02C(C02R,C050,C046,C03D,C02K), C02H(C03S,C030,C03P,C03H,C044)
3.d Idealised Me refined as rotating group:
 C041(H04G,H04H,H04I), C04A(H04W,H04X,H04Y), C04I(H04,HE,HF), C04M(H5,HG,HH),
 C04Z(H6,HI,HJ), C055(H05C,H05D,H05E), C056(H05F,H05G,H05H), C05A(H05I,H05J,
 H05K), C05B(H05L,H05M,H05N), C05K(H05O,H05P,H05Q)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_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 0.38180(3) 0.56809(3) 0.60341(2) 0.03718(14) Uani 1 1 d . . . . .
Au02 Au 0.38728(3) 0.42734(3) 0.53008(2) 0.03662(14) Uani 1 1 d . . . . .
Au03 Au 0.63131(3) 0.44325(3) 0.50822(2) 0.03603(14) Uani 1 1 d . . . . .
Au04 Au 0.53183(3) 0.54037(3) 0.64572(2) 0.03658(14) Uani 1 1 d . . . . .
Au05 Au 0.35110(3) 0.41180(4) 0.42098(2) 0.03831(14) Uani 1 1 d . . . . .
Au06 Au 0.51095(3) 0.67699(3) 0.60873(2) 0.03935(14) Uani 1 1 d . . . . .
Pd07 Pd 0.75166(5) 0.25803(5) 1.03736(3) 0.03010(19) Uani 1 1 d . . . . .
Pd08 Pd 0.75167(5) 0.21806(6) 0.85784(3) 0.0331(2) Uani 1 1 d . . . . .
Pd09 Pd 0.49233(5) 0.45904(6) 0.45453(3) 0.0339(2) Uani 1 1 d . . . . .
S00A S 0.74015(19) 0.12625(18) 1.03939(12) 0.0349(6) Uani 1 1 d . . . . .
S00B S 0.66539(19) 0.3198(2) 0.85524(12) 0.0376(7) Uani 1 1 d . . . . .
S00C S 0.61364(17) 0.26989(19) 1.04631(11) 0.0338(6) Uani 1 1 d . . . . .
S00D S 0.88984(18) 0.24894(19) 1.04148(13) 0.0370(7) Uani 1 1 d . . . . .
S00E S 0.6430(2) 0.1321(2) 0.84746(12) 0.0395(7) Uani 1 1 d . . . . .
S00F S 0.76354(18) 0.39264(19) 1.04636(13) 0.0367(7) Uani 1 1 d . . . . .
P00G P 0.5588(2) 0.4917(2) 0.71906(12) 0.0392(7) Uani 1 1 d . . . . .
S00H S 0.86071(19) 0.3023(2) 0.85486(12) 0.0392(7) Uani 1 1 d . . . . .
S00I S 0.8393(2) 0.1134(2) 0.84889(13) 0.0433(8) Uani 1 1 d . . . . .
P00J P 0.2645(2) 0.5850(2) 0.64716(12) 0.0393(7) Uani 1 1 d . . . . .
S00K S 0.6808(2) 0.3335(2) 0.53717(13) 0.0445(8) Uani 1 1 d . . . . .
S00L S 0.3694(2) 0.3233(2) 0.57574(14) 0.0454(8) Uani 1 1 d . . . . .
P00M P 0.2230(2) 0.3718(2) 0.40302(13) 0.0424(8) Uani 1 1 d . . . . .
P00N P 0.5038(2) 0.8079(2) 0.63158(14) 0.0455(8) Uani 1 1 d . . . . .
N00P N 0.5405(6) 0.3712(7) 0.9101(4) 0.038(3) Uani 1 1 d . . . . .
N00R N 0.6468(8) 0.0210(7) 0.9873(5) 0.046(3) Uani 1 1 d . . . . .
N00S N 0.8124(7) 0.3614(7) 0.9491(4) 0.041(3) Uani 1 1 d . . . . .
H00S H 0.782274 0.320867 0.947354 0.050 Uiso 1 1 calc R U . . .
N00T N 0.5221(6) 0.3541(7) 0.9979(4) 0.036(2) Uani 1 1 d . . . . .
C00U C 0.6043(7) 0.3282(8) 0.9087(5) 0.033(2) Uani 1 1 d . U . . .
N00V N 0.4357(6) 0.4269(7) 0.9575(4) 0.034(2) Uani 1 1 d . . . . .
N00W N 0.8717(7) 0.1690(8) 0.9464(5) 0.047(3) Uani 1 1 d . . . . .
H00W H 0.824405 0.187496 0.947061 0.057 Uiso 1 1 calc R U . . .
N00X N 0.5592(7) -0.0719(7) 0.9456(4) 0.041(3) Uani 1 1 d . . . . .
N00Y N 0.6294(7) 0.2948(7) 0.9494(5) 0.043(3) Uani 1 1 d . . . . .
H00Y H 0.670228 0.265465 0.947316 0.052 Uiso 1 1 calc R U . . .
N00Z N 0.9669(7) 0.0905(8) 0.9023(5) 0.046(3) Uani 1 1 d . . . . .
C010 C 0.6850(7) 0.0880(7) 0.9865(5) 0.032(2) Uani 1 1 d . U . . .
C011 C 0.5001(8) 0.3829(8) 0.9545(5) 0.0372(19) Uani 1 1 d . U . . .
C012 C 0.9183(7) 0.1826(7) 0.9913(5) 0.034(2) Uani 1 1 d . U . . .
N013 N 0.6155(8) 0.2467(8) 0.6014(5) 0.051(3) Uani 1 1 d . . . . .
N014 N 0.8586(7) 0.4774(7) 0.9963(5) 0.041(3) Uani 1 1 d . . . . .
N015 N 0.6785(8) 0.1255(8) 0.9445(5) 0.051(3) Uani 1 1 d . . . . .
H015 H 0.695510 0.172390 0.946245 0.062 Uiso 1 1 calc R U . . .
C016 C 0.4158(5) 0.4111(6) 0.7104(3) 0.047(2) Uani 1 1 d G U . . .
H016 H 0.404132 0.441154 0.685424 0.056 Uiso 1 1 calc R U . . .
C02A C 0.3582(4) 0.3609(6) 0.7249(4) 0.049(2) Uani 1 1 d G U . . .
H02A H 0.307879 0.357413 0.709501 0.059 Uiso 1 1 calc R U . . .
C02X C 0.3757(5) 0.3159(5) 0.7623(4) 0.050(2) Uani 1 1 d G U . . .
H02X H 0.337109 0.282319 0.771902 0.060 Uiso 1 1 calc R U . . .
C02Y C 0.4509(5) 0.3211(6) 0.7852(3) 0.049(2) Uani 1 1 d G U . . .
H02Y H 0.462593 0.290965 0.810227 0.059 Uiso 1 1 calc R U . . .
C039 C 0.5085(4) 0.3712(6) 0.7708(4) 0.0464(18) Uani 1 1 d G U . . .
H039 H 0.558847 0.374705 0.786151 0.056 Uiso 1 1 calc R U . . .
C01O C 0.4910(5) 0.4162(5) 0.7334(4) 0.0447(18) Uani 1 1 d G U . . .
N017 N 0.9853(7) 0.1458(7) 0.9929(5) 0.044(3) Uani 1 1 d . . . . .
N018 N 0.6097(6) 0.0197(6) 0.8983(4) 0.036(2) Uani 1 1 d . . . . .
C019 C 0.6967(5) 0.4314(6) 0.6725(3) 0.048(2) Uani 1 1 d G U . . .
H019 H 0.668421 0.431498 0.642045 0.057 Uiso 1 1 calc R U . . .
C02O C 0.6601(4) 0.4551(6) 0.7195(3) 0.0453(17) Uani 1 1 d G U . . .
C02L C 0.7023(5) 0.4550(6) 0.7650(3) 0.0461(18) Uani 1 1 d G U . . .
H02L H 0.677809 0.470859 0.796462 0.055 Uiso 1 1 calc R U . . .
C034 C 0.7811(5) 0.4313(6) 0.7636(3) 0.049(2) Uani 1 1 d G U . . .
H034 H 0.809359 0.431243 0.794023 0.059 Uiso 1 1 calc R U . . .
C03L C 0.8177(4) 0.4076(6) 0.7166(4) 0.051(2) Uani 1 1 d G U . . .
H03L H 0.870441 0.391755 0.715596 0.061 Uiso 1 1 calc R U . . .
C01Z C 0.7755(5) 0.4077(6) 0.6710(3) 0.049(2) Uani 1 1 d G U . . .
H01Z H 0.799974 0.391881 0.639606 0.059 Uiso 1 1 calc R U . . .
N01A N 1.0716(7) 0.0565(8) 0.9515(5) 0.052(3) Uani 1 1 d . . . . .
C01B C 0.8985(8) 0.1277(8) 0.9018(6) 0.041(3) Uani 1 1 d . U . . .
C01C C 0.1514(6) 0.4484(5) 0.4198(4) 0.0537(19) Uani 1 1 d G U . . .
C03A C 0.0878(6) 0.4596(6) 0.3879(3) 0.058(2) Uani 1 1 d G U . . .
H03A H 0.079878 0.426560 0.356955 0.070 Uiso 1 1 calc R U . . .
C04R C 0.0362(6) 0.5202(7) 0.4021(4) 0.060(2) Uani 1 1 d G U . . .
H04R H -0.006357 0.527757 0.380769 0.072 Uiso 1 1 calc R U . . .
C04V C 0.0480(6) 0.5696(6) 0.4484(4) 0.058(2) Uani 1 1 d G U . . .
H04V H 0.013449 0.610209 0.457904 0.070 Uiso 1 1 calc R U . . .
C04E C 0.1116(6) 0.5584(6) 0.4803(3) 0.058(2) Uani 1 1 d G U . . .
H04E H 0.119490 0.591464 0.511225 0.070 Uiso 1 1 calc R U . . .
C01P C 0.1632(5) 0.4978(6) 0.4660(4) 0.056(2) Uani 1 1 d G U . . .
H01P H 0.205727 0.490268 0.487411 0.068 Uiso 1 1 calc R U . . .
C01D C 0.2314(4) 0.6980(6) 0.5881(4) 0.051(2) Uani 1 1 d G U . . .
H01D H 0.285772 0.697017 0.581066 0.062 Uiso 1 1 calc R U . . .
C02Z C 0.1829(6) 0.7497(6) 0.5681(4) 0.055(2) Uani 1 1 d G U . . .
H02Z H 0.204920 0.783256 0.547721 0.066 Uiso 1 1 calc R U . . .
C035 C 0.1016(5) 0.7512(6) 0.5786(4) 0.056(2) Uani 1 1 d G U . . .
H035 H 0.069232 0.785764 0.565208 0.067 Uiso 1 1 calc R U . . .
C040 C 0.0688(4) 0.7010(6) 0.6090(4) 0.055(2) Uani 1 1 d G U . . .
H040 H 0.014395 0.702034 0.616039 0.066 Uiso 1 1 calc R U . . .
C03V C 0.1172(6) 0.6494(6) 0.6290(4) 0.0534(19) Uani 1 1 d G U . . .
H03V H 0.095245 0.615795 0.649383 0.064 Uiso 1 1 calc R U . . .
C01Y C 0.1985(5) 0.6479(6) 0.6185(4) 0.0491(18) Uani 1 1 d G U . . .
C01E C 0.1986(6) 0.3322(7) 0.3365(3) 0.0558(19) Uani 1 1 d G U . . .
C03W C 0.1413(6) 0.2738(6) 0.3247(4) 0.058(2) Uani 1 1 d G U . . .
H03W H 0.119796 0.249749 0.350661 0.070 Uiso 1 1 calc R U . . .
C047 C 0.1163(6) 0.2514(6) 0.2741(4) 0.061(3) Uani 1 1 d G U . . .
H047 H 0.077924 0.212301 0.266203 0.074 Uiso 1 1 calc R U . . .
C04P C 0.1485(7) 0.2874(7) 0.2353(3) 0.062(3) Uani 1 1 d G U . . .
H04P H 0.131682 0.272360 0.201413 0.075 Uiso 1 1 calc R U . . .
C03X C 0.2058(7) 0.3458(7) 0.2471(4) 0.060(2) Uani 1 1 d G U . . .
H03X H 0.227313 0.369867 0.221082 0.072 Uiso 1 1 calc R U . . .
C01Q C 0.2309(6) 0.3682(6) 0.2977(4) 0.058(2) Uani 1 1 d G U . . .
H01Q H 0.269187 0.407317 0.305540 0.070 Uiso 1 1 calc R U . . .
C01F C 1.0064(9) 0.0987(9) 0.9477(6) 0.047(2) Uani 1 1 d . U . . .
C01G C 0.5852(7) 0.3110(8) 0.9944(5) 0.033(2) Uani 1 1 d . U . . .
C01H C 0.8559(8) 0.3741(8) 0.9068(6) 0.040(2) Uani 1 1 d . U . . .
C01I C 0.2070(6) 0.4962(5) 0.6466(4) 0.0519(18) Uani 1 1 d G U . . .
C038 C 0.1691(6) 0.4778(6) 0.6900(3) 0.055(2) Uani 1 1 d G U . . .
H038 H 0.174023 0.510795 0.721226 0.066 Uiso 1 1 calc R U . . .
C04O C 0.1238(6) 0.4101(6) 0.6869(3) 0.056(2) Uani 1 1 d G U . . .
H04O H 0.098384 0.397832 0.715922 0.068 Uiso 1 1 calc R U . . .
C04N C 0.1164(6) 0.3608(5) 0.6402(4) 0.059(2) Uani 1 1 d G U . . .
H04N H 0.086038 0.315544 0.638102 0.070 Uiso 1 1 calc R U . . .
C04D C 0.1543(6) 0.3792(6) 0.5968(3) 0.056(2) Uani 1 1 d G U . . .
H04D H 0.149331 0.346218 0.565584 0.067 Uiso 1 1 calc R U . . .
C027 C 0.1996(6) 0.4469(6) 0.6000(3) 0.054(2) Uani 1 1 d G U . . .
H027 H 0.224970 0.459180 0.570887 0.065 Uiso 1 1 calc R U . . .
C01K C 0.6063(8) -0.0082(8) 0.9441(6) 0.040(2) Uani 1 1 d . U . . .
C01L C 0.5544(6) 0.5685(5) 0.7750(3) 0.0450(16) Uani 1 1 d G U . . .
C02I C 0.5773(6) 0.6425(5) 0.7679(3) 0.048(2) Uani 1 1 d G U . . .
H02I H 0.591930 0.652054 0.735437 0.058 Uiso 1 1 calc R U . . .
C024 C 0.5784(6) 0.7023(4) 0.8094(4) 0.049(2) Uani 1 1 d G U . . .
H024 H 0.593708 0.751840 0.804640 0.058 Uiso 1 1 calc R U . . .
C03G C 0.5565(6) 0.6881(5) 0.8579(3) 0.050(2) Uani 1 1 d G U . . .
H03G H 0.557218 0.728063 0.885644 0.061 Uiso 1 1 calc R U . . .
C01W C 0.5336(6) 0.6140(5) 0.8650(3) 0.0442(19) Uani 1 1 d G U . . .
H01W H 0.518949 0.604499 0.897444 0.053 Uiso 1 1 calc R U . . .
C02F C 0.5325(6) 0.5542(4) 0.8235(3) 0.0475(17) Uani 1 1 d G U . . .
H02F H 0.517170 0.504711 0.828241 0.057 Uiso 1 1 calc R U . . .
C01M C 0.3972(8) 0.4548(9) 1.0074(5) 0.043(2) Uani 1 1 d . U . . .
H01C H 0.368545 0.501357 1.004235 0.052 Uiso 1 1 calc R U . . .
H01E H 0.438753 0.468743 1.033128 0.052 Uiso 1 1 calc R U . . .
C01N C 0.2739(6) 0.6267(6) 0.7154(3) 0.0474(17) Uani 1 1 d G U . . .
C01V C 0.2105(4) 0.6629(6) 0.7427(3) 0.0514(18) Uani 1 1 d G U . . .
H01V H 0.161745 0.666595 0.726411 0.062 Uiso 1 1 calc R U . . .
C029 C 0.2201(5) 0.6934(6) 0.7944(3) 0.049(2) Uani 1 1 d G U . . .
H029 H 0.177708 0.717582 0.812700 0.059 Uiso 1 1 calc R U . . .
C026 C 0.2930(6) 0.6878(6) 0.8188(3) 0.048(2) Uani 1 1 d G U . . .
H026 H 0.299446 0.708255 0.853386 0.058 Uiso 1 1 calc R U . . .
C02V C 0.3564(4) 0.6517(6) 0.7915(3) 0.0489(18) Uani 1 1 d G U . . .
H02V H 0.405223 0.647941 0.807783 0.059 Uiso 1 1 calc R U . . .
C1 C 0.3469(5) 0.6211(6) 0.7398(3) 0.049(2) Uani 1 1 d G U . . .
H1 H 0.389262 0.596954 0.721493 0.059 Uiso 1 1 calc R U . . .
C01R C 0.6351(6) 0.8110(6) 0.6953(4) 0.058(2) Uani 1 1 d G U . . .
H01R H 0.652361 0.770061 0.671296 0.070 Uiso 1 1 calc R U . . .
C02Q C 0.5605(6) 0.8423(6) 0.6897(4) 0.055(2) Uani 1 1 d G U . . .
C032 C 0.5347(5) 0.9035(6) 0.7255(4) 0.056(2) Uani 1 1 d G U . . .
H032 H 0.484766 0.924398 0.721750 0.068 Uiso 1 1 calc R U . . .
C03E C 0.5834(6) 0.9333(6) 0.7670(4) 0.057(2) Uani 1 1 d G U . . .
H03E H 0.566085 0.974249 0.791000 0.068 Uiso 1 1 calc R U . . .
C03N C 0.6579(6) 0.9020(6) 0.7726(4) 0.059(2) Uani 1 1 d G U . . .
H03N H 0.690542 0.922007 0.800398 0.070 Uiso 1 1 calc R U . . .
C03Z C 0.6838(5) 0.8409(6) 0.7368(4) 0.058(2) Uani 1 1 d G U . . .
H03Z H 0.733681 0.819913 0.740547 0.070 Uiso 1 1 calc R U . . .
C01S C 0.3395(8) 0.3985(9) 1.0270(6) 0.045(2) Uani 1 1 d . U . . .
H01F H 0.298952 0.381092 1.001207 0.054 Uiso 1 1 calc R U . . .
H01G H 0.367869 0.353938 1.034614 0.054 Uiso 1 1 calc R U . . .
N01T N 0.8937(8) 0.4398(8) 0.9072(5) 0.053(3) Uani 1 1 d . . . . .
H01T H 0.917038 0.451419 0.880325 0.063 Uiso 1 1 calc R U . . .
C01U C 0.4651(9) 0.2995(8) 0.5902(5) 0.041(2) Uani 1 1 d . U . . .
C01X C 0.5019(10) 0.1681(10) 0.6997(7) 0.054(2) Uani 1 1 d . U . . .
H01A H 0.460530 0.206237 0.700167 0.065 Uiso 1 1 calc R U . . .
H01B H 0.525399 0.174271 0.733873 0.065 Uiso 1 1 calc R U . . .
C021 C 0.6054(9) 0.2997(9) 0.5711(6) 0.046(2) Uani 1 1 d . U . . .
N022 N 0.5649(10) 0.1833(8) 0.6622(6) 0.063(4) Uani 1 1 d . . . . .
C023 C 0.1946(6) 0.2964(6) 0.4400(4) 0.056(2) Uani 1 1 d G U . . .
C036 C 0.1184(6) 0.2898(6) 0.4599(4) 0.0576(19) Uani 1 1 d G U . . .
H036 H 0.080061 0.325956 0.455577 0.069 Uiso 1 1 calc R U . . .
C03Q C 0.0997(5) 0.2293(7) 0.4862(4) 0.056(2) Uani 1 1 d G U . . .
H03Q H 0.048733 0.224918 0.499489 0.068 Uiso 1 1 calc R U . . .
C04T C 0.1570(6) 0.1753(6) 0.4926(4) 0.061(2) Uani 1 1 d G U . . .
H04T H 0.144484 0.134816 0.510217 0.073 Uiso 1 1 calc R U . . .
C04J C 0.2332(6) 0.1819(6) 0.4727(5) 0.062(2) Uani 1 1 d G U . . .
H04J H 0.271563 0.145752 0.477034 0.075 Uiso 1 1 calc R U . . .
C03I C 0.2520(5) 0.2424(7) 0.4464(5) 0.060(2) Uani 1 1 d G U . . .
H03I H 0.302892 0.246789 0.433122 0.072 Uiso 1 1 calc R U . . .
N028 N 0.4768(8) 0.2473(7) 0.6199(5) 0.052(3) Uani 1 1 d . . . . .
C02B C 0.6454(8) 0.0880(8) 0.9006(5) 0.035(2) Uani 1 1 d . U . . .
C02C C 0.4034(5) 0.8413(7) 0.6461(4) 0.0570(19) Uani 1 1 d G U . . .
C02R C 0.3672(6) 0.8935(7) 0.6192(4) 0.061(2) Uani 1 1 d G U . . .
H02R H 0.395143 0.913644 0.593757 0.074 Uiso 1 1 calc R U . . .
C050 C 0.2890(6) 0.9155(6) 0.6303(4) 0.063(2) Uani 1 1 d G U . . .
H050 H 0.264741 0.950426 0.612285 0.076 Uiso 1 1 calc R U . . .
C046 C 0.2472(5) 0.8854(7) 0.6683(5) 0.063(2) Uani 1 1 d G U . . .
H046 H 0.194909 0.900141 0.675703 0.075 Uiso 1 1 calc R U . . .
C03D C 0.2835(6) 0.8332(7) 0.6952(4) 0.059(2) Uani 1 1 d G U . . .
H03D H 0.255478 0.813071 0.720592 0.071 Uiso 1 1 calc R U . . .
C02K C 0.3616(6) 0.8112(6) 0.6841(4) 0.057(2) Uani 1 1 d G U . . .
H02K H 0.385880 0.776288 0.702065 0.068 Uiso 1 1 calc R U . . .
C02D C 0.5972(10) -0.1561(10) 1.0100(6) 0.052(2) Uani 1 1 d . U . . .
H02B H 0.652237 -0.138402 1.008517 0.062 Uiso 1 1 calc R U . . .
H02C H 0.590883 -0.203643 0.985875 0.062 Uiso 1 1 calc R U . . .
C02G C 0.3241(9) 0.4287(9) 0.8935(6) 0.048(2) Uani 1 1 d . U . . .
H02D H 0.325693 0.373350 0.882620 0.058 Uiso 1 1 calc R U . . .
H02E H 0.286156 0.438858 0.921385 0.058 Uiso 1 1 calc R U . . .
C02H C 0.5737(7) 0.9370(6) 0.5999(3) 0.060(2) Uani 1 1 d G U . . .
H02H H 0.579529 0.955989 0.634769 0.072 Uiso 1 1 calc R U . . .
C03S C 0.5406(7) 0.8639(6) 0.5842(4) 0.0573(19) Uani 1 1 d G U . . .
C030 C 0.5319(7) 0.8355(5) 0.5321(4) 0.059(2) Uani 1 1 d G U . . .
H030 H 0.509751 0.786594 0.521612 0.071 Uiso 1 1 calc R U . . .
C03P C 0.5565(7) 0.8802(6) 0.4957(3) 0.064(3) Uani 1 1 d G U . . .
H03P H 0.550674 0.861148 0.460873 0.077 Uiso 1 1 calc R U . . .
C03H C 0.5896(7) 0.9532(6) 0.5114(4) 0.062(2) Uani 1 1 d G U . . .
H03H H 0.606024 0.983124 0.487082 0.074 Uiso 1 1 calc R U . . .
C044 C 0.5983(7) 0.9816(5) 0.5635(4) 0.063(3) Uani 1 1 d G U . . .
H044 H 0.620453 1.030545 0.574030 0.075 Uiso 1 1 calc R U . . .
C02J C 0.5167(9) -0.1086(9) 0.8996(6) 0.046(2) Uani 1 1 d . U . . .
H02G H 0.501310 -0.160454 0.904512 0.055 Uiso 1 1 calc R U . . .
H02J H 0.553681 -0.113374 0.871065 0.055 Uiso 1 1 calc R U . . .
C02M C 0.8170(8) 0.4139(8) 0.9944(6) 0.038(2) Uani 1 1 d . U . . .
C02N C 0.4430(9) -0.0694(9) 0.8841(6) 0.048(2) Uani 1 1 d . U . . .
H02M H 0.410903 -0.053447 0.914391 0.058 Uiso 1 1 calc R U . . .
H02N H 0.458982 -0.023432 0.870344 0.058 Uiso 1 1 calc R U . . .
C02S C 0.8940(10) 0.4898(10) 0.9536(7) 0.053(2) Uani 1 1 d . U . . .
C02U C 0.3936(9) -0.1201(10) 0.8451(6) 0.052(3) Uani 1 1 d . U . . .
H02O H 0.426353 -0.136554 0.815209 0.062 Uiso 1 1 calc R U . . .
H02P H 0.377692 -0.165787 0.859173 0.062 Uiso 1 1 calc R U . . .
C02W C 0.9546(10) 0.6038(11) 1.0031(7) 0.060(3) Uani 1 1 d . U . . .
H02Q H 1.006355 0.628976 1.001425 0.072 Uiso 1 1 calc R U . . .
H02S H 0.957797 0.572058 1.030015 0.072 Uiso 1 1 calc R U . . .
C031 C 0.3014(9) 0.4400(10) 1.0751(6) 0.049(3) Uani 1 1 d . U . . .
H03K H 0.267979 0.480506 1.066059 0.058 Uiso 1 1 calc R U . . .
H03M H 0.342927 0.464238 1.098247 0.058 Uiso 1 1 calc R U . . .
C033 C 0.6462(10) 0.1562(10) 0.6728(7) 0.057(2) Uani 1 1 d . U . . .
H03B H 0.676250 0.146675 0.641096 0.068 Uiso 1 1 calc R U . . .
H03C H 0.641840 0.108129 0.686501 0.068 Uiso 1 1 calc R U . . .
N037 N 0.9406(11) 0.5530(9) 0.9544(5) 0.075(5) Uani 1 1 d . . . . .
C03B C 1.1043(9) 0.0104(9) 0.9049(6) 0.046(2) Uani 1 1 d . U . . .
H03O H 1.159904 -0.000328 0.910703 0.056 Uiso 1 1 calc R U . . .
H03R H 1.101707 0.039574 0.876596 0.056 Uiso 1 1 calc R U . . .
C03F C 0.5440(9) -0.0978(9) 0.9951(6) 0.049(2) Uani 1 1 d . U . . .
H03S H 0.546659 -0.052956 1.021793 0.059 Uiso 1 1 calc R U . . .
H03T H 0.489738 -0.118271 0.994417 0.059 Uiso 1 1 calc R U . . .
C03J C 0.4072(8) 0.4589(9) 0.9126(6) 0.045(2) Uani 1 1 d . U . . .
H03U H 0.445035 0.446644 0.884876 0.054 Uiso 1 1 calc R U . . .
H03Y H 0.405755 0.514632 0.921398 0.054 Uiso 1 1 calc R U . . .
C03K C 1.0924(10) -0.1190(10) 0.8417(7) 0.055(3) Uani 1 1 d . U . . .
H03 H 1.100266 -0.088519 0.814391 0.066 Uiso 1 1 calc R U . . .
H H 1.143835 -0.138142 0.850370 0.066 Uiso 1 1 calc R U . . .
C03M C 0.2977(10) 0.4660(10) 0.8502(6) 0.053(2) Uani 1 1 d . U . . .
H2 H 0.334972 0.454726 0.822063 0.064 Uiso 1 1 calc R U . . .
HA H 0.297649 0.521478 0.860883 0.064 Uiso 1 1 calc R U . . .
C03O C 1.1061(9) 0.0461(10) 1.0029(6) 0.051(2) Uani 1 1 d . U . . .
H3 H 1.131107 -0.003879 0.999334 0.062 Uiso 1 1 calc R U . . .
HB H 1.062940 0.046069 1.027297 0.062 Uiso 1 1 calc R U . . .
C03R C 1.0567(9) -0.0671(9) 0.8903(6) 0.049(2) Uani 1 1 d . U . . .
H4 H 1.001510 -0.056117 0.883384 0.058 Uiso 1 1 calc R U . . .
HC H 1.057561 -0.095118 0.919189 0.058 Uiso 1 1 calc R U . . .
C03Y C 0.6898(11) 0.2162(11) 0.7111(7) 0.061(3) Uani 1 1 d . U . . .
H03F H 0.693741 0.264396 0.697623 0.073 Uiso 1 1 calc R U . . .
H03J H 0.660060 0.225325 0.743007 0.073 Uiso 1 1 calc R U . . .
C041 C 1.0377(11) -0.1843(11) 0.8239(8) 0.070(4) Uani 1 1 d . U . . .
H04G H 1.048730 -0.225975 0.842324 0.104 Uiso 1 1 calc R U . . .
H04H H 1.045260 -0.201160 0.787753 0.104 Uiso 1 1 calc R U . . .
H04I H 0.983578 -0.168473 0.829913 0.104 Uiso 1 1 calc R U . . .
C042 C 0.8938(11) 0.6651(11) 1.0187(8) 0.064(3) Uani 1 1 d . U . . .
H04K H 0.841041 0.641212 1.017680 0.077 Uiso 1 1 calc R U . . .
H04L H 0.894490 0.700987 0.994264 0.077 Uiso 1 1 calc R U . . .
N043 N 0.5288(7) 0.3299(7) 0.5676(4) 0.042(3) Uani 1 1 d . . . . .
H043 H 0.522002 0.367812 0.551062 0.051 Uiso 1 1 calc R U . . .
C048 C 1.1671(10) 0.1076(10) 1.0243(7) 0.055(3) Uani 1 1 d . U . . .
H04M H 1.213624 0.104214 1.002291 0.066 Uiso 1 1 calc R U . . .
H04Q H 1.144412 0.158252 1.025140 0.066 Uiso 1 1 calc R U . . .
C049 C 0.5791(10) -0.1723(10) 1.0654(7) 0.057(3) Uani 1 1 d . U . . .
H04S H 0.575734 -0.123326 1.088089 0.069 Uiso 1 1 calc R U . . .
H04U H 0.527141 -0.197745 1.065019 0.069 Uiso 1 1 calc R U . . .
C04A C 0.2505(11) 0.3863(12) 1.1031(7) 0.066(4) Uani 1 1 d . U . . .
H04W H 0.221313 0.416400 1.130183 0.100 Uiso 1 1 calc R U . . .
H04X H 0.284621 0.351593 1.117310 0.100 Uiso 1 1 calc R U . . .
H04Y H 0.213687 0.357170 1.079142 0.100 Uiso 1 1 calc R U . . .
C04F C 1.1912(11) 0.0968(11) 1.0778(7) 0.065(3) Uani 1 1 d . U . . .
H04Z H 1.143959 0.092700 1.098379 0.078 Uiso 1 1 calc R U . . .
HD H 1.220778 0.049524 1.076287 0.078 Uiso 1 1 calc R U . . .
C04G C 0.5525(10) 0.2277(10) 0.6275(7) 0.054(2) Uani 1 1 d . U . . .
C04I C 0.9098(12) 0.7093(12) 1.0725(8) 0.074(5) Uani 1 1 d . U . . .
H04 H 0.908912 0.674020 1.096874 0.111 Uiso 1 1 calc R U . . .
HE H 0.869322 0.747116 1.081073 0.111 Uiso 1 1 calc R U . . .
HF H 0.961204 0.734525 1.073393 0.111 Uiso 1 1 calc R U . . .
C04K C 0.3944(11) 0.0766(11) 0.7235(7) 0.064(3) Uani 1 1 d . U . . .
H04A H 0.350745 0.109568 0.717216 0.076 Uiso 1 1 calc R U . . .
H04B H 0.375385 0.023489 0.715611 0.076 Uiso 1 1 calc R U . . .
C04M C 0.3222(11) -0.0846(12) 0.8284(7) 0.068(4) Uani 1 1 d . U . . .
H5 H 0.298027 -0.053779 0.857508 0.101 Uiso 1 1 calc R U . . .
HG H 0.285002 -0.124133 0.813421 0.101 Uiso 1 1 calc R U . . .
HH H 0.336347 -0.052546 0.803425 0.101 Uiso 1 1 calc R U . . .
C04U C 0.4644(11) 0.0890(10) 0.6874(7) 0.061(3) Uani 1 1 d . U . . .
H04C H 0.504696 0.050825 0.690084 0.073 Uiso 1 1 calc R U . . .
H04F H 0.444987 0.081046 0.652174 0.073 Uiso 1 1 calc R U . . .
C04Z C 0.6346(12) -0.2173(12) 1.0857(8) 0.075(4) Uani 1 1 d . U . . .
H6 H 0.670381 -0.184657 1.108334 0.112 Uiso 1 1 calc R U . . .
HI H 0.664379 -0.246029 1.058251 0.112 Uiso 1 1 calc R U . . .
HJ H 0.607319 -0.252393 1.104502 0.112 Uiso 1 1 calc R U . . .
C052 C 0.7713(11) 0.1892(12) 0.7213(8) 0.068(3) Uani 1 1 d . U . . .
H05A H 0.766454 0.137577 0.729835 0.082 Uiso 1 1 calc R U . . .
H05B H 0.793236 0.222373 0.751214 0.082 Uiso 1 1 calc R U . . .
C055 C 0.4186(13) 0.0943(13) 0.7803(9) 0.083(5) Uani 1 1 d . U . . .
H05C H 0.444529 0.144095 0.787144 0.124 Uiso 1 1 calc R U . . .
H05D H 0.454672 0.055771 0.788127 0.124 Uiso 1 1 calc R U . . .
H05E H 0.371913 0.094124 0.801311 0.124 Uiso 1 1 calc R U . . .
C056 C 0.8300(13) 0.1876(14) 0.6777(8) 0.082(5) Uani 1 1 d . U . . .
H05F H 0.801381 0.183221 0.645712 0.123 Uiso 1 1 calc R U . . .
H05G H 0.864260 0.144215 0.677061 0.123 Uiso 1 1 calc R U . . .
H05H H 0.861593 0.234344 0.682734 0.123 Uiso 1 1 calc R U . . .
C05A C 1.0280(12) 0.5530(11) 0.8957(9) 0.075(4) Uani 1 1 d . U . . .
H05I H 1.065557 0.576884 0.921190 0.112 Uiso 1 1 calc R U . . .
H05J H 1.046205 0.559650 0.862165 0.112 Uiso 1 1 calc R U . . .
H05K H 1.023267 0.498903 0.897560 0.112 Uiso 1 1 calc R U . . .
C05B C 0.2131(12) 0.4379(14) 0.8314(8) 0.080(4) Uani 1 1 d . U . . .
H05L H 0.174842 0.456118 0.857368 0.120 Uiso 1 1 calc R U . . .
H05M H 0.211265 0.382599 0.824768 0.120 Uiso 1 1 calc R U . . .
H05N H 0.200665 0.457679 0.800388 0.120 Uiso 1 1 calc R U . . .
C05K C 1.2421(13) 0.1639(13) 1.1020(8) 0.078(4) Uani 1 1 d . U . . .
H05O H 1.285707 0.145621 1.120256 0.117 Uiso 1 1 calc R U . . .
H05P H 1.210568 0.198219 1.125506 0.117 Uiso 1 1 calc R U . . .
H05Q H 1.262751 0.190916 1.075741 0.117 Uiso 1 1 calc R U . . .
C14 C 0.9549(12) 0.5864(12) 0.9046(8) 0.070(3) Uani 1 1 d . U . . .
H14 H 0.924907 0.617927 0.886931 0.084 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au01 Au02 2.8895(8) . ?
Au01 Au03 2.9227(7) 2_666 ?
Au01 Au04 2.8258(8) . ?
Au01 Au06 2.8500(9) . ?
Au01 Pd09 2.6131(10) 2_666 ?
Au01 P00J 2.281(3) . ?
Au02 Au03 2.6509(8) 2_666 ?
Au02 Au05 2.9039(8) . ?
Au02 Pd09 2.7761(10) . ?
Au02 Pd09 2.7941(12) 2_666 ?
Au02 S00L 2.357(3) . ?
Au03 Au05 2.9178(8) 2_666 ?
Au03 Pd09 2.7597(11) . ?
Au03 Pd09 2.7935(10) 2_666 ?
Au03 S00K 2.345(3) . ?
Au04 Au05 2.8409(8) 2_666 ?
Au04 Au06 2.7559(8) . ?
Au04 Pd09 2.6715(10) 2_666 ?
Au04 P00G 2.279(3) . ?
Au05 Au06 2.8522(8) 2_666 ?
Au05 Pd09 2.5974(11) . ?
Au05 P00M 2.270(3) . ?
Au06 Pd09 2.6873(11) 2_666 ?
Au06 P00N 2.288(4) . ?
Pd07 S00A 2.328(3) . ?
Pd07 S00C 2.334(3) . ?
Pd07 S00D 2.326(3) . ?
Pd07 S00F 2.343(3) . ?
Pd08 S00B 2.326(3) . ?
Pd08 S00E 2.331(4) . ?
Pd08 S00H 2.339(3) . ?
Pd08 S00I 2.356(3) . ?
Pd09 Pd09 2.6014(19) 2_666 ?
S00A C010 1.708(14) . ?
S00B C00U 1.734(13) . ?
S00C C01G 1.713(12) . ?
S00D C012 1.694(13) . ?
S00E C02B 1.704(12) . ?
S00F C02M 1.724(15) . ?
P00G C01O 1.815(8) . ?
P00G C02O 1.825(7) . ?
P00G C01L 1.836(7) . ?
S00H C01H 1.710(15) . ?
S00I C01B 1.691(15) . ?
P00J C01Y 1.819(8) . ?
P00J C01I 1.817(8) . ?
P00J C01N 1.836(7) . ?
S00K C021 1.702(15) . ?
S00L C01U 1.720(14) . ?
P00M C01C 1.822(8) . ?
P00M C01E 1.822(8) . ?
P00M C023 1.822(8) . ?
P00N C02Q 1.812(8) . ?
P00N C02C 1.812(8) . ?
P00N C03S 1.810(9) . ?
N00P C00U 1.315(16) . ?
N00P C011 1.342(17) . ?
N00R C010 1.331(18) . ?
N00R C01K 1.348(19) . ?
N00S H00S 0.8600 . ?
N00S C01H 1.378(18) . ?
N00S C02M 1.390(18) . ?
N00T C011 1.374(16) . ?
N00T C01G 1.305(16) . ?
C00U N00Y 1.369(17) . ?
N00V C011 1.333(16) . ?
N00V C01M 1.482(17) . ?
N00V C03J 1.469(16) . ?
N00W H00W 0.8600 . ?
N00W C012 1.399(18) . ?
N00W C01B 1.362(19) . ?
N00X C01K 1.364(18) . ?
N00X C02J 1.456(18) . ?
N00X C03F 1.470(18) . ?
N00Y H00Y 0.8600 . ?
N00Y C01G 1.393(17) . ?
N00Z C01B 1.330(17) . ?
N00Z C01F 1.352(19) . ?
C010 N015 1.381(18) . ?
C012 N017 1.310(16) . ?
N013 C021 1.331(18) . ?
N013 C04G 1.33(2) . ?
N014 C02M 1.299(18) . ?
N014 C02S 1.32(2) . ?
N015 H015 0.8600 . ?
N015 C02B 1.348(18) . ?
C016 H016 0.9300 . ?
C016 C02A 1.3900 . ?
C016 C01O 1.3900 . ?
C02A H02A 0.9300 . ?
C02A C02X 1.3900 . ?
C02X H02X 0.9300 . ?
C02X C02Y 1.3900 . ?
C02Y H02Y 0.9300 . ?
C02Y C039 1.3900 . ?
C039 H039 0.9300 . ?
C039 C01O 1.3900 . ?
N017 C01F 1.39(2) . ?
N018 C01K 1.373(17) . ?
N018 C02B 1.324(17) . ?
C019 H019 0.9300 . ?
C019 C02O 1.3900 . ?
C019 C01Z 1.3900 . ?
C02O C02L 1.3900 . ?
C02L H02L 0.9300 . ?
C02L C034 1.3900 . ?
C034 H034 0.9300 . ?
C034 C03L 1.3900 . ?
C03L H03L 0.9300 . ?
C03L C01Z 1.3900 . ?
C01Z H01Z 0.9300 . ?
N01A C01F 1.342(18) . ?
N01A C03B 1.474(19) . ?
N01A C03O 1.51(2) . ?
C01C C03A 1.3900 . ?
C01C C01P 1.3900 . ?
C03A H03A 0.9300 . ?
C03A C04R 1.3900 . ?
C04R H04R 0.9300 . ?
C04R C04V 1.3900 . ?
C04V H04V 0.9300 . ?
C04V C04E 1.3900 . ?
C04E H04E 0.9300 . ?
C04E C01P 1.3900 . ?
C01P H01P 0.9300 . ?
C01D H01D 0.9300 . ?
C01D C02Z 1.3900 . ?
C01D C01Y 1.3900 . ?
C02Z H02Z 0.9300 . ?
C02Z C035 1.3900 . ?
C035 H035 0.9300 . ?
C035 C040 1.3900 . ?
C040 H040 0.9300 . ?
C040 C03V 1.3900 . ?
C03V H03V 0.9300 . ?
C03V C01Y 1.3900 . ?
C01E C03W 1.3900 . ?
C01E C01Q 1.3900 . ?
C03W H03W 0.9300 . ?
C03W C047 1.3900 . ?
C047 H047 0.9300 . ?
C047 C04P 1.3900 . ?
C04P H04P 0.9300 . ?
C04P C03X 1.3900 . ?
C03X H03X 0.9300 . ?
C03X C01Q 1.3900 . ?
C01Q H01Q 0.9300 . ?
C01H N01T 1.306(18) . ?
C01I C038 1.3900 . ?
C01I C027 1.3900 . ?
C038 H038 0.9300 . ?
C038 C04O 1.3900 . ?
C04O H04O 0.9300 . ?
C04O C04N 1.3900 . ?
C04N H04N 0.9300 . ?
C04N C04D 1.3900 . ?
C04D H04D 0.9300 . ?
C04D C027 1.3900 . ?
C027 H027 0.9300 . ?
C01L C02I 1.3900 . ?
C01L C02F 1.3900 . ?
C02I H02I 0.9300 . ?
C02I C024 1.3900 . ?
C024 H024 0.9300 . ?
C024 C03G 1.3900 . ?
C03G H03G 0.9300 . ?
C03G C01W 1.3900 . ?
C01W H01W 0.9300 . ?
C01W C02F 1.3900 . ?
C02F H02F 0.9300 . ?
C01M H01C 0.9700 . ?
C01M H01E 0.9700 . ?
C01M C01S 1.52(2) . ?
C01N C01V 1.3900 . ?
C01N C1 1.3900 . ?
C01V H01V 0.9300 . ?
C01V C029 1.3900 . ?
C029 H029 0.9300 . ?
C029 C026 1.3900 . ?
C026 H026 0.9300 . ?
C026 C02V 1.3900 . ?
C02V H02V 0.9300 . ?
C02V C1 1.3900 . ?
C1 H1 0.9300 . ?
C01R H01R 0.9300 . ?
C01R C02Q 1.3900 . ?
C01R C03Z 1.3900 . ?
C02Q C032 1.3900 . ?
C032 H032 0.9300 . ?
C032 C03E 1.3900 . ?
C03E H03E 0.9300 . ?
C03E C03N 1.3900 . ?
C03N H03N 0.9300 . ?
C03N C03Z 1.3900 . ?
C03Z H03Z 0.9300 . ?
C01S H01F 0.9700 . ?
C01S H01G 0.9700 . ?
C01S C031 1.51(2) . ?
N01T H01T 0.8600 . ?
N01T C02S 1.39(2) . ?
C01U N028 1.313(18) . ?
C01U N043 1.365(18) . ?
C01X H01A 0.9700 . ?
C01X H01B 0.9700 . ?
C01X N022 1.50(2) . ?
C01X C04U 1.50(2) . ?
C021 N043 1.406(18) . ?
N022 C033 1.49(2) . ?
N022 C04G 1.31(2) . ?
C023 C036 1.3900 . ?
C023 C03I 1.3900 . ?
C036 H036 0.9300 . ?
C036 C03Q 1.3900 . ?
C03Q H03Q 0.9300 . ?
C03Q C04T 1.3900 . ?
C04T H04T 0.9300 . ?
C04T C04J 1.3900 . ?
C04J H04J 0.9300 . ?
C04J C03I 1.3900 . ?
C03I H03I 0.9300 . ?
N028 C04G 1.34(2) . ?
C02C C02R 1.3900 . ?
C02C C02K 1.3900 . ?
C02R H02R 0.9300 . ?
C02R C050 1.3900 . ?
C050 H050 0.9300 . ?
C050 C046 1.3900 . ?
C046 H046 0.9300 . ?
C046 C03D 1.3900 . ?
C03D H03D 0.9300 . ?
C03D C02K 1.3900 . ?
C02K H02K 0.9300 . ?
C02D H02B 0.9700 . ?
C02D H02C 0.9700 . ?
C02D C03F 1.47(2) . ?
C02D C049 1.56(2) . ?
C02G H02D 0.9700 . ?
C02G H02E 0.9700 . ?
C02G C03J 1.54(2) . ?
C02G C03M 1.47(2) . ?
C02H H02H 0.9300 . ?
C02H C03S 1.3900 . ?
C02H C044 1.3900 . ?
C03S C030 1.3900 . ?
C030 H030 0.9300 . ?
C030 C03P 1.3900 . ?
C03P H03P 0.9300 . ?
C03P C03H 1.3900 . ?
C03H H03H 0.9300 . ?
C03H C044 1.3900 . ?
C044 H044 0.9300 . ?
C02J H02G 0.9700 . ?
C02J H02J 0.9700 . ?
C02J C02N 1.51(2) . ?
C02N H02M 0.9700 . ?
C02N H02N 0.9700 . ?
C02N C02U 1.49(2) . ?
C02S N037 1.34(2) . ?
C02U H02O 0.9700 . ?
C02U H02P 0.9700 . ?
C02U C04M 1.46(2) . ?
C02W H02Q 0.9700 . ?
C02W H02S 0.9700 . ?
C02W N037 1.46(2) . ?
C02W C042 1.51(2) . ?
C031 H03K 0.9700 . ?
C031 H03M 0.9700 . ?
C031 C04A 1.54(2) . ?
C033 H03B 0.9700 . ?
C033 H03C 0.9700 . ?
C033 C03Y 1.51(2) . ?
N037 C14 1.54(2) . ?
C03B H03O 0.9700 . ?
C03B H03R 0.9700 . ?
C03B C03R 1.56(2) . ?
C03F H03S 0.9700 . ?
C03F H03T 0.9700 . ?
C03J H03U 0.9700 . ?
C03J H03Y 0.9700 . ?
C03K H03 0.9700 . ?
C03K H 0.9700 . ?
C03K C03R 1.58(2) . ?
C03K C041 1.47(2) . ?
C03M H2 0.9700 . ?
C03M HA 0.9700 . ?
C03M C05B 1.54(3) . ?
C03O H3 0.9700 . ?
C03O HB 0.9700 . ?
C03O C048 1.51(2) . ?
C03R H4 0.9700 . ?
C03R HC 0.9700 . ?
C03Y H03F 0.9700 . ?
C03Y H03J 0.9700 . ?
C03Y C052 1.49(2) . ?
C041 H04G 0.9600 . ?
C041 H04H 0.9600 . ?
C041 H04I 0.9600 . ?
C042 H04K 0.9700 . ?
C042 H04L 0.9700 . ?
C042 C04I 1.52(3) . ?
N043 H043 0.8600 . ?
C048 H04M 0.9700 . ?
C048 H04Q 0.9700 . ?
C048 C04F 1.51(2) . ?
C049 H04S 0.9700 . ?
C049 H04U 0.9700 . ?
C049 C04Z 1.39(3) . ?
C04A H04W 0.9600 . ?
C04A H04X 0.9600 . ?
C04A H04Y 0.9600 . ?
C04F H04Z 0.9700 . ?
C04F HD 0.9700 . ?
C04F C05K 1.50(3) . ?
C04I H04 0.9600 . ?
C04I HE 0.9600 . ?
C04I HF 0.9600 . ?
C04K H04A 0.9700 . ?
C04K H04B 0.9700 . ?
C04K C04U 1.55(2) . ?
C04K C055 1.53(3) . ?
C04M H5 0.9600 . ?
C04M HG 0.9600 . ?
C04M HH 0.9600 . ?
C04U H04C 0.9700 . ?
C04U H04F 0.9700 . ?
C04Z H6 0.9600 . ?
C04Z HI 0.9600 . ?
C04Z HJ 0.9600 . ?
C052 H05A 0.9700 . ?
C052 H05B 0.9700 . ?
C052 C056 1.51(3) . ?
C055 H05C 0.9600 . ?
C055 H05D 0.9600 . ?
C055 H05E 0.9600 . ?
C056 H05F 0.9600 . ?
C056 H05G 0.9600 . ?
C056 H05H 0.9600 . ?
C05A H05I 0.9600 . ?
C05A H05J 0.9600 . ?
C05A H05K 0.9600 . ?
C05A C14 1.37(3) . ?
C05B H05L 0.9600 . ?
C05B H05M 0.9600 . ?
C05B H05N 0.9600 . ?
C05K H05O 0.9600 . ?
C05K H05P 0.9600 . ?
C05K H05Q 0.9600 . ?
C14 H14 0.9300 . ?

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
Au02 Au01 Au03 54.268(18) . 2_666 ?
Au04 Au01 Au02 92.13(2) . . ?
Au04 Au01 Au03 118.08(2) . 2_666 ?
Au04 Au01 Au06 58.10(2) . . ?
Au06 Au01 Au02 119.49(2) . . ?
Au06 Au01 Au03 92.31(2) . 2_666 ?
Pd09 Au01 Au02 60.79(3) 2_666 . ?
Pd09 Au01 Au03 59.49(3) 2_666 2_666 ?
Pd09 Au01 Au04 58.68(3) 2_666 . ?
Pd09 Au01 Au06 58.74(3) 2_666 . ?
P00J Au01 Au02 114.19(10) . . ?
P00J Au01 Au03 115.48(9) . 2_666 ?
P00J Au01 Au04 126.03(9) . . ?
P00J Au01 Au06 126.06(10) . . ?
P00J Au01 Pd09 174.14(9) . 2_666 ?
Au01 Au02 Au05 126.02(2) . . ?
Au03 Au02 Au01 63.50(2) 2_666 . ?
Au03 Au02 Au05 63.18(2) 2_666 . ?
Au03 Au02 Pd09 60.84(3) 2_666 2_666 ?
Au03 Au02 Pd09 61.91(3) 2_666 . ?
Pd09 Au02 Au01 54.71(2) 2_666 . ?
Pd09 Au02 Au01 105.26(3) . . ?
Pd09 Au02 Au05 54.37(2) . . ?
Pd09 Au02 Au05 103.93(3) 2_666 . ?
Pd09 Au02 Pd09 55.68(4) . 2_666 ?
S00L Au02 Au01 107.66(10) . . ?
S00L Au02 Au03 163.65(9) . 2_666 ?
S00L Au02 Au05 121.50(10) . . ?
S00L Au02 Pd09 126.95(10) . 2_666 ?
S00L Au02 Pd09 134.29(10) . . ?
Au02 Au03 Au01 62.23(2) 2_666 2_666 ?
Au02 Au03 Au05 62.64(2) 2_666 2_666 ?
Au02 Au03 Pd09 62.14(3) 2_666 . ?
Au02 Au03 Pd09 61.25(3) 2_666 2_666 ?
Au05 Au03 Au01 124.23(2) 2_666 2_666 ?
Pd09 Au03 Au01 103.93(3) 2_666 2_666 ?
Pd09 Au03 Au01 54.67(2) . 2_666 ?
Pd09 Au03 Au05 54.05(3) 2_666 2_666 ?
Pd09 Au03 Au05 104.45(3) . 2_666 ?
Pd09 Au03 Pd09 55.86(4) . 2_666 ?
S00K Au03 Au01 115.10(9) . 2_666 ?
S00K Au03 Au02 165.87(10) . 2_666 ?
S00K Au03 Au05 116.12(10) . 2_666 ?
S00K Au03 Pd09 129.07(11) . . ?
S00K Au03 Pd09 130.76(9) . 2_666 ?
Au01 Au04 Au05 106.38(2) . 2_666 ?
Au06 Au04 Au01 61.39(2) . . ?
Au06 Au04 Au05 61.26(2) . 2_666 ?
Pd09 Au04 Au01 56.68(2) 2_666 . ?
Pd09 Au04 Au05 56.12(3) 2_666 2_666 ?
Pd09 Au04 Au06 59.33(3) 2_666 . ?
P00G Au04 Au01 128.67(9) . . ?
P00G Au04 Au05 124.94(9) . 2_666 ?
P00G Au04 Au06 142.39(10) . . ?
P00G Au04 Pd09 158.13(10) . 2_666 ?
Au02 Au05 Au03 54.175(18) . 2_666 ?
Au04 Au05 Au02 118.79(2) 2_666 . ?
Au04 Au05 Au03 91.42(2) 2_666 2_666 ?
Au04 Au05 Au06 57.905(19) 2_666 2_666 ?
Au06 Au05 Au02 93.80(2) 2_666 . ?
Au06 Au05 Au03 119.39(2) 2_666 2_666 ?
Pd09 Au05 Au02 60.31(3) . . ?
Pd09 Au05 Au03 60.53(3) . 2_666 ?
Pd09 Au05 Au04 58.64(3) . 2_666 ?
Pd09 Au05 Au06 58.87(3) . 2_666 ?
P00M Au05 Au02 111.99(9) . . ?
P00M Au05 Au03 114.91(10) . 2_666 ?
P00M Au05 Au04 128.93(9) . 2_666 ?
P00M Au05 Au06 125.13(10) . 2_666 ?
P00M Au05 Pd09 172.24(9) . . ?
Au01 Au06 Au05 105.43(2) . 2_666 ?
Au04 Au06 Au01 60.51(2) . . ?
Au04 Au06 Au05 60.84(2) . 2_666 ?
Pd09 Au06 Au01 56.22(3) 2_666 . ?
Pd09 Au06 Au04 58.77(3) 2_666 . ?
Pd09 Au06 Au05 55.83(3) 2_666 2_666 ?
P00N Au06 Au01 126.75(11) . . ?
P00N Au06 Au04 144.25(9) . . ?
P00N Au06 Au05 127.82(11) . 2_666 ?
P00N Au06 Pd09 156.97(10) . 2_666 ?
S00A Pd07 S00C 90.34(12) . . ?
S00A Pd07 S00F 172.96(12) . . ?
S00C Pd07 S00F 89.06(11) . . ?
S00D Pd07 S00A 89.32(12) . . ?
S00D Pd07 S00C 171.63(12) . . ?
S00D Pd07 S00F 90.25(12) . . ?
S00B Pd08 S00E 89.70(13) . . ?
S00B Pd08 S00H 89.71(13) . . ?
S00B Pd08 S00I 172.65(12) . . ?
S00E Pd08 S00H 171.45(12) . . ?
S00E Pd08 S00I 89.85(13) . . ?
S00H Pd08 S00I 89.65(13) . . ?
Au01 Pd09 Au02 153.36(4) 2_666 . ?
Au01 Pd09 Au02 64.50(3) 2_666 2_666 ?
Au01 Pd09 Au03 149.54(4) 2_666 2_666 ?
Au01 Pd09 Au03 65.85(3) 2_666 . ?
Au01 Pd09 Au04 64.64(3) 2_666 2_666 ?
Au01 Pd09 Au06 65.03(3) 2_666 2_666 ?
Au02 Pd09 Au02 124.32(4) . 2_666 ?
Au02 Pd09 Au03 56.84(2) . 2_666 ?
Au03 Pd09 Au02 57.02(3) . 2_666 ?
Au03 Pd09 Au02 96.81(3) . . ?
Au03 Pd09 Au02 95.62(3) 2_666 2_666 ?
Au03 Pd09 Au03 124.14(4) . 2_666 ?
Au04 Pd09 Au02 130.35(4) 2_666 . ?
Au04 Pd09 Au02 97.69(3) 2_666 2_666 ?
Au04 Pd09 Au03 97.91(3) 2_666 2_666 ?
Au04 Pd09 Au03 130.36(4) 2_666 . ?
Au04 Pd09 Au06 61.90(3) 2_666 2_666 ?
Au05 Pd09 Au01 121.08(4) . 2_666 ?
Au05 Pd09 Au02 150.67(4) . 2_666 ?
Au05 Pd09 Au02 65.32(3) . . ?
Au05 Pd09 Au03 152.10(4) . . ?
Au05 Pd09 Au03 65.42(3) . 2_666 ?
Au05 Pd09 Au04 65.23(3) . 2_666 ?
Au05 Pd09 Au06 65.30(3) . 2_666 ?
Au05 Pd09 Pd09 119.40(5) . 2_666 ?
Au06 Pd09 Au02 100.58(4) 2_666 . ?
Au06 Pd09 Au02 129.49(4) 2_666 2_666 ?
Au06 Pd09 Au03 99.69(3) 2_666 . ?
Au06 Pd09 Au03 130.71(4) 2_666 2_666 ?
Pd09 Pd09 Au01 119.44(6) 2_666 2_666 ?
Pd09 Pd09 Au02 62.51(4) 2_666 . ?
Pd09 Pd09 Au02 61.81(4) 2_666 2_666 ?
Pd09 Pd09 Au03 61.41(4) 2_666 2_666 ?
Pd09 Pd09 Au03 62.73(4) 2_666 . ?
Pd09 Pd09 Au04 146.59(6) 2_666 2_666 ?
Pd09 Pd09 Au06 151.52(6) 2_666 2_666 ?
C010 S00A Pd07 106.3(4) . . ?
C00U S00B Pd08 108.7(4) . . ?
C01G S00C Pd07 104.0(4) . . ?
C012 S00D Pd07 107.6(5) . . ?
C02B S00E Pd08 104.6(5) . . ?
C02M S00F Pd07 107.2(5) . . ?
C01O P00G Au04 115.9(3) . . ?
C01O P00G C02O 107.6(5) . . ?
C01O P00G C01L 105.4(5) . . ?
C02O P00G Au04 111.9(3) . . ?
C02O P00G C01L 105.2(5) . . ?
C01L P00G Au04 110.0(3) . . ?
C01H S00H Pd08 108.3(5) . . ?
C01B S00I Pd08 106.0(5) . . ?
C01Y P00J Au01 111.3(3) . . ?
C01Y P00J C01N 106.1(5) . . ?
C01I P00J Au01 113.5(4) . . ?
C01I P00J C01Y 104.8(5) . . ?
C01I P00J C01N 104.8(5) . . ?
C01N P00J Au01 115.4(3) . . ?
C021 S00K Au03 105.9(5) . . ?
C01U S00L Au02 103.9(5) . . ?
C01C P00M Au05 112.9(4) . . ?
C01C P00M C01E 104.1(5) . . ?
C01E P00M Au05 117.3(4) . . ?
C023 P00M Au05 110.6(4) . . ?
C023 P00M C01C 105.8(5) . . ?
C023 P00M C01E 105.2(6) . . ?
C02Q P00N Au06 111.8(4) . . ?
C02Q P00N C02C 104.5(5) . . ?
C02C P00N Au06 113.6(4) . . ?
C03S P00N Au06 115.3(4) . . ?
C03S P00N C02Q 105.4(6) . . ?
C03S P00N C02C 105.3(5) . . ?
C00U N00P C011 116.9(11) . . ?
C010 N00R C01K 115.8(12) . . ?
C01H N00S H00S 119.9 . . ?
C01H N00S C02M 120.2(12) . . ?
C02M N00S H00S 119.9 . . ?
C01G N00T C011 116.7(11) . . ?
N00P C00U S00B 119.1(9) . . ?
N00P C00U N00Y 123.3(12) . . ?
N00Y C00U S00B 117.3(9) . . ?
C011 N00V C01M 121.6(11) . . ?
C011 N00V C03J 120.9(11) . . ?
C03J N00V C01M 116.9(11) . . ?
C012 N00W H00W 118.8 . . ?
C01B N00W H00W 118.8 . . ?
C01B N00W C012 122.4(12) . . ?
C01K N00X C02J 120.2(12) . . ?
C01K N00X C03F 119.5(12) . . ?
C02J N00X C03F 119.9(12) . . ?
C00U N00Y H00Y 121.9 . . ?
C00U N00Y C01G 116.3(11) . . ?
C01G N00Y H00Y 121.9 . . ?
C01B N00Z C01F 116.4(13) . . ?
N00R C010 S00A 117.9(10) . . ?
N00R C010 N015 120.6(13) . . ?
N015 C010 S00A 121.4(10) . . ?
N00P C011 N00T 124.1(12) . . ?
N00V C011 N00P 118.5(12) . . ?
N00V C011 N00T 117.4(12) . . ?
N00W C012 S00D 120.0(9) . . ?
N017 C012 S00D 120.9(11) . . ?
N017 C012 N00W 119.0(12) . . ?
C04G N013 C021 117.4(14) . . ?
C02M N014 C02S 117.3(14) . . ?
C010 N015 H015 120.3 . . ?
C02B N015 C010 119.3(12) . . ?
C02B N015 H015 120.3 . . ?
C02A C016 H016 120.0 . . ?
C02A C016 C01O 120.0 . . ?
C01O C016 H016 120.0 . . ?
C016 C02A H02A 120.0 . . ?
C016 C02A C02X 120.0 . . ?
C02X C02A H02A 120.0 . . ?
C02A C02X H02X 120.0 . . ?
C02A C02X C02Y 120.0 . . ?
C02Y C02X H02X 120.0 . . ?
C02X C02Y H02Y 120.0 . . ?
C039 C02Y C02X 120.0 . . ?
C039 C02Y H02Y 120.0 . . ?
C02Y C039 H039 120.0 . . ?
C02Y C039 C01O 120.0 . . ?
C01O C039 H039 120.0 . . ?
C016 C01O P00G 117.6(5) . . ?
C039 C01O P00G 121.9(5) . . ?
C039 C01O C016 120.0 . . ?
C012 N017 C01F 115.8(12) . . ?
C02B N018 C01K 115.1(12) . . ?
C02O C019 H019 120.0 . . ?
C02O C019 C01Z 120.0 . . ?
C01Z C019 H019 120.0 . . ?
C019 C02O P00G 118.1(5) . . ?
C02L C02O P00G 121.8(5) . . ?
C02L C02O C019 120.0 . . ?
C02O C02L H02L 120.0 . . ?
C034 C02L C02O 120.0 . . ?
C034 C02L H02L 120.0 . . ?
C02L C034 H034 120.0 . . ?
C02L C034 C03L 120.0 . . ?
C03L C034 H034 120.0 . . ?
C034 C03L H03L 120.0 . . ?
C034 C03L C01Z 120.0 . . ?
C01Z C03L H03L 120.0 . . ?
C019 C01Z H01Z 120.0 . . ?
C03L C01Z C019 120.0 . . ?
C03L C01Z H01Z 120.0 . . ?
C01F N01A C03B 119.4(13) . . ?
C01F N01A C03O 121.9(13) . . ?
C03B N01A C03O 118.2(11) . . ?
N00W C01B S00I 120.1(11) . . ?
N00Z C01B S00I 120.2(12) . . ?
N00Z C01B N00W 119.1(13) . . ?
C03A C01C P00M 122.6(6) . . ?
C03A C01C C01P 120.0 . . ?
C01P C01C P00M 117.4(6) . . ?
C01C C03A H03A 120.0 . . ?
C01C C03A C04R 120.0 . . ?
C04R C03A H03A 120.0 . . ?
C03A C04R H04R 120.0 . . ?
C04V C04R C03A 120.0 . . ?
C04V C04R H04R 120.0 . . ?
C04R C04V H04V 120.0 . . ?
C04R C04V C04E 120.0 . . ?
C04E C04V H04V 120.0 . . ?
C04V C04E H04E 120.0 . . ?
C01P C04E C04V 120.0 . . ?
C01P C04E H04E 120.0 . . ?
C01C C01P H01P 120.0 . . ?
C04E C01P C01C 120.0 . . ?
C04E C01P H01P 120.0 . . ?
C02Z C01D H01D 120.0 . . ?
C02Z C01D C01Y 120.0 . . ?
C01Y C01D H01D 120.0 . . ?
C01D C02Z H02Z 120.0 . . ?
C035 C02Z C01D 120.0 . . ?
C035 C02Z H02Z 120.0 . . ?
C02Z C035 H035 120.0 . . ?
C02Z C035 C040 120.0 . . ?
C040 C035 H035 120.0 . . ?
C035 C040 H040 120.0 . . ?
C03V C040 C035 120.0 . . ?
C03V C040 H040 120.0 . . ?
C040 C03V H03V 120.0 . . ?
C040 C03V C01Y 120.0 . . ?
C01Y C03V H03V 120.0 . . ?
C01D C01Y P00J 118.8(6) . . ?
C03V C01Y P00J 121.1(6) . . ?
C03V C01Y C01D 120.0 . . ?
C03W C01E P00M 121.0(6) . . ?
C03W C01E C01Q 120.0 . . ?
C01Q C01E P00M 118.5(6) . . ?
C01E C03W H03W 120.0 . . ?
C01E C03W C047 120.0 . . ?
C047 C03W H03W 120.0 . . ?
C03W C047 H047 120.0 . . ?
C03W C047 C04P 120.0 . . ?
C04P C047 H047 120.0 . . ?
C047 C04P H04P 120.0 . . ?
C03X C04P C047 120.0 . . ?
C03X C04P H04P 120.0 . . ?
C04P C03X H03X 120.0 . . ?
C04P C03X C01Q 120.0 . . ?
C01Q C03X H03X 120.0 . . ?
C01E C01Q H01Q 120.0 . . ?
C03X C01Q C01E 120.0 . . ?
C03X C01Q H01Q 120.0 . . ?
N00Z C01F N017 126.5(13) . . ?
N01A C01F N00Z 118.7(14) . . ?
N01A C01F N017 114.7(14) . . ?
N00T C01G S00C 119.1(10) . . ?
N00T C01G N00Y 122.7(12) . . ?
N00Y C01G S00C 118.2(10) . . ?
N00S C01H S00H 119.1(10) . . ?
N01T C01H S00H 121.0(12) . . ?
N01T C01H N00S 119.9(13) . . ?
C038 C01I P00J 122.6(6) . . ?
C038 C01I C027 120.0 . . ?
C027 C01I P00J 117.4(6) . . ?
C01I C038 H038 120.0 . . ?
C01I C038 C04O 120.0 . . ?
C04O C038 H038 120.0 . . ?
C038 C04O H04O 120.0 . . ?
C04N C04O C038 120.0 . . ?
C04N C04O H04O 120.0 . . ?
C04O C04N H04N 120.0 . . ?
C04O C04N C04D 120.0 . . ?
C04D C04N H04N 120.0 . . ?
C04N C04D H04D 120.0 . . ?
C027 C04D C04N 120.0 . . ?
C027 C04D H04D 120.0 . . ?
C01I C027 H027 120.0 . . ?
C04D C027 C01I 120.0 . . ?
C04D C027 H027 120.0 . . ?
N00R C01K N00X 117.3(13) . . ?
N00R C01K N018 125.6(13) . . ?
N00X C01K N018 117.1(13) . . ?
C02I C01L P00G 117.5(5) . . ?
C02I C01L C02F 120.0 . . ?
C02F C01L P00G 122.4(5) . . ?
C01L C02I H02I 120.0 . . ?
C01L C02I C024 120.0 . . ?
C024 C02I H02I 120.0 . . ?
C02I C024 H024 120.0 . . ?
C02I C024 C03G 120.0 . . ?
C03G C024 H024 120.0 . . ?
C024 C03G H03G 120.0 . . ?
C024 C03G C01W 120.0 . . ?
C01W C03G H03G 120.0 . . ?
C03G C01W H01W 120.0 . . ?
C02F C01W C03G 120.0 . . ?
C02F C01W H01W 120.0 . . ?
C01L C02F H02F 120.0 . . ?
C01W C02F C01L 120.0 . . ?
C01W C02F H02F 120.0 . . ?
N00V C01M H01C 108.3 . . ?
N00V C01M H01E 108.3 . . ?
N00V C01M C01S 116.0(12) . . ?
H01C C01M H01E 107.4 . . ?
C01S C01M H01C 108.3 . . ?
C01S C01M H01E 108.3 . . ?
C01V C01N P00J 121.8(5) . . ?
C01V C01N C1 120.0 . . ?
C1 C01N P00J 118.2(5) . . ?
C01N C01V H01V 120.0 . . ?
C01N C01V C029 120.0 . . ?
C029 C01V H01V 120.0 . . ?
C01V C029 H029 120.0 . . ?
C01V C029 C026 120.0 . . ?
C026 C029 H029 120.0 . . ?
C029 C026 H026 120.0 . . ?
C02V C026 C029 120.0 . . ?
C02V C026 H026 120.0 . . ?
C026 C02V H02V 120.0 . . ?
C1 C02V C026 120.0 . . ?
C1 C02V H02V 120.0 . . ?
C01N C1 H1 120.0 . . ?
C02V C1 C01N 120.0 . . ?
C02V C1 H1 120.0 . . ?
C02Q C01R H01R 120.0 . . ?
C02Q C01R C03Z 120.0 . . ?
C03Z C01R H01R 120.0 . . ?
C01R C02Q P00N 118.1(6) . . ?
C032 C02Q P00N 121.6(6) . . ?
C032 C02Q C01R 120.0 . . ?
C02Q C032 H032 120.0 . . ?
C03E C032 C02Q 120.0 . . ?
C03E C032 H032 120.0 . . ?
C032 C03E H03E 120.0 . . ?
C032 C03E C03N 120.0 . . ?
C03N C03E H03E 120.0 . . ?
C03E C03N H03N 120.0 . . ?
C03E C03N C03Z 120.0 . . ?
C03Z C03N H03N 120.0 . . ?
C01R C03Z H03Z 120.0 . . ?
C03N C03Z C01R 120.0 . . ?
C03N C03Z H03Z 120.0 . . ?
C01M C01S H01F 110.2 . . ?
C01M C01S H01G 110.2 . . ?
H01F C01S H01G 108.5 . . ?
C031 C01S C01M 107.7(13) . . ?
C031 C01S H01F 110.2 . . ?
C031 C01S H01G 110.2 . . ?
C01H N01T H01T 122.0 . . ?
C01H N01T C02S 115.9(13) . . ?
C02S N01T H01T 122.0 . . ?
N028 C01U S00L 119.9(12) . . ?
N028 C01U N043 119.6(13) . . ?
N043 C01U S00L 120.3(10) . . ?
H01A C01X H01B 107.7 . . ?
N022 C01X H01A 108.9 . . ?
N022 C01X H01B 108.9 . . ?
N022 C01X C04U 113.3(14) . . ?
C04U C01X H01A 108.9 . . ?
C04U C01X H01B 108.9 . . ?
N013 C021 S00K 123.4(12) . . ?
N013 C021 N043 118.2(13) . . ?
N043 C021 S00K 118.5(10) . . ?
C033 N022 C01X 115.3(13) . . ?
C04G N022 C01X 122.1(14) . . ?
C04G N022 C033 121.9(15) . . ?
C036 C023 P00M 122.8(6) . . ?
C036 C023 C03I 120.0 . . ?
C03I C023 P00M 117.1(6) . . ?
C023 C036 H036 120.0 . . ?
C03Q C036 C023 120.0 . . ?
C03Q C036 H036 120.0 . . ?
C036 C03Q H03Q 120.0 . . ?
C036 C03Q C04T 120.0 . . ?
C04T C03Q H03Q 120.0 . . ?
C03Q C04T H04T 120.0 . . ?
C04J C04T C03Q 120.0 . . ?
C04J C04T H04T 120.0 . . ?
C04T C04J H04J 120.0 . . ?
C03I C04J C04T 120.0 . . ?
C03I C04J H04J 120.0 . . ?
C023 C03I H03I 120.0 . . ?
C04J C03I C023 120.0 . . ?
C04J C03I H03I 120.0 . . ?
C01U N028 C04G 117.4(14) . . ?
N015 C02B S00E 119.5(11) . . ?
N018 C02B S00E 118.4(10) . . ?
N018 C02B N015 121.9(12) . . ?
C02R C02C P00N 121.8(6) . . ?
C02R C02C C02K 120.0 . . ?
C02K C02C P00N 118.1(6) . . ?
C02C C02R H02R 120.0 . . ?
C050 C02R C02C 120.0 . . ?
C050 C02R H02R 120.0 . . ?
C02R C050 H050 120.0 . . ?
C046 C050 C02R 120.0 . . ?
C046 C050 H050 120.0 . . ?
C050 C046 H046 120.0 . . ?
C050 C046 C03D 120.0 . . ?
C03D C046 H046 120.0 . . ?
C046 C03D H03D 120.0 . . ?
C02K C03D C046 120.0 . . ?
C02K C03D H03D 120.0 . . ?
C02C C02K H02K 120.0 . . ?
C03D C02K C02C 120.0 . . ?
C03D C02K H02K 120.0 . . ?
H02B C02D H02C 108.0 . . ?
C03F C02D H02B 109.3 . . ?
C03F C02D H02C 109.3 . . ?
C03F C02D C049 111.6(14) . . ?
C049 C02D H02B 109.3 . . ?
C049 C02D H02C 109.3 . . ?
H02D C02G H02E 108.1 . . ?
C03J C02G H02D 109.5 . . ?
C03J C02G H02E 109.5 . . ?
C03M C02G H02D 109.5 . . ?
C03M C02G H02E 109.5 . . ?
C03M C02G C03J 110.9(13) . . ?
C03S C02H H02H 120.0 . . ?
C03S C02H C044 120.0 . . ?
C044 C02H H02H 120.0 . . ?
C02H C03S P00N 119.9(7) . . ?
C02H C03S C030 120.0 . . ?
C030 C03S P00N 120.0(7) . . ?
C03S C030 H030 120.0 . . ?
C03P C030 C03S 120.0 . . ?
C03P C030 H030 120.0 . . ?
C030 C03P H03P 120.0 . . ?
C030 C03P C03H 120.0 . . ?
C03H C03P H03P 120.0 . . ?
C03P C03H H03H 120.0 . . ?
C044 C03H C03P 120.0 . . ?
C044 C03H H03H 120.0 . . ?
C02H C044 H044 120.0 . . ?
C03H C044 C02H 120.0 . . ?
C03H C044 H044 120.0 . . ?
N00X C02J H02G 108.0 . . ?
N00X C02J H02J 108.0 . . ?
N00X C02J C02N 117.2(13) . . ?
H02G C02J H02J 107.2 . . ?
C02N C02J H02G 108.0 . . ?
C02N C02J H02J 108.0 . . ?
N00S C02M S00F 117.6(10) . . ?
N014 C02M S00F 122.2(11) . . ?
N014 C02M N00S 120.1(13) . . ?
C02J C02N H02M 109.1 . . ?
C02J C02N H02N 109.1 . . ?
H02M C02N H02N 107.8 . . ?
C02U C02N C02J 112.7(14) . . ?
C02U C02N H02M 109.1 . . ?
C02U C02N H02N 109.1 . . ?
N014 C02S N01T 126.1(15) . . ?
N014 C02S N037 119.3(15) . . ?
N037 C02S N01T 114.4(15) . . ?
C02N C02U H02O 108.6 . . ?
C02N C02U H02P 108.6 . . ?
H02O C02U H02P 107.5 . . ?
C04M C02U C02N 114.9(16) . . ?
C04M C02U H02O 108.6 . . ?
C04M C02U H02P 108.6 . . ?
H02Q C02W H02S 107.3 . . ?
N037 C02W H02Q 108.1 . . ?
N037 C02W H02S 108.1 . . ?
N037 C02W C042 116.7(16) . . ?
C042 C02W H02Q 108.1 . . ?
C042 C02W H02S 108.1 . . ?
C01S C031 H03K 109.0 . . ?
C01S C031 H03M 109.0 . . ?
C01S C031 C04A 112.8(14) . . ?
H03K C031 H03M 107.8 . . ?
C04A C031 H03K 109.0 . . ?
C04A C031 H03M 109.0 . . ?
N022 C033 H03B 109.6 . . ?
N022 C033 H03C 109.6 . . ?
N022 C033 C03Y 110.1(14) . . ?
H03B C033 H03C 108.1 . . ?
C03Y C033 H03B 109.6 . . ?
C03Y C033 H03C 109.6 . . ?
C02S N037 C02W 119.1(14) . . ?
C02S N037 C14 120.0(14) . . ?
C02W N037 C14 117.7(14) . . ?
N01A C03B H03O 109.4 . . ?
N01A C03B H03R 109.4 . . ?
N01A C03B C03R 111.0(13) . . ?
H03O C03B H03R 108.0 . . ?
C03R C03B H03O 109.4 . . ?
C03R C03B H03R 109.4 . . ?
N00X C03F H03S 108.0 . . ?
N00X C03F H03T 108.0 . . ?
C02D C03F N00X 117.3(13) . . ?
C02D C03F H03S 108.0 . . ?
C02D C03F H03T 108.0 . . ?
H03S C03F H03T 107.2 . . ?
N00V C03J C02G 113.8(12) . . ?
N00V C03J H03U 108.8 . . ?
N00V C03J H03Y 108.8 . . ?
C02G C03J H03U 108.8 . . ?
C02G C03J H03Y 108.8 . . ?
H03U C03J H03Y 107.7 . . ?
H03 C03K H 108.2 . . ?
C03R C03K H03 109.6 . . ?
C03R C03K H 109.6 . . ?
C041 C03K H03 109.6 . . ?
C041 C03K H 109.6 . . ?
C041 C03K C03R 110.1(15) . . ?
C02G C03M H2 109.3 . . ?
C02G C03M HA 109.3 . . ?
C02G C03M C05B 111.6(15) . . ?
H2 C03M HA 108.0 . . ?
C05B C03M H2 109.3 . . ?
C05B C03M HA 109.3 . . ?
N01A C03O H3 108.8 . . ?
N01A C03O HB 108.8 . . ?
N01A C03O C048 114.0(14) . . ?
H3 C03O HB 107.7 . . ?
C048 C03O H3 108.8 . . ?
C048 C03O HB 108.8 . . ?
C03B C03R C03K 112.1(13) . . ?
C03B C03R H4 109.2 . . ?
C03B C03R HC 109.2 . . ?
C03K C03R H4 109.2 . . ?
C03K C03R HC 109.2 . . ?
H4 C03R HC 107.9 . . ?
C033 C03Y H03F 109.7 . . ?
C033 C03Y H03J 109.7 . . ?
H03F C03Y H03J 108.2 . . ?
C052 C03Y C033 110.0(15) . . ?
C052 C03Y H03F 109.7 . . ?
C052 C03Y H03J 109.7 . . ?
C03K C041 H04G 109.5 . . ?
C03K C041 H04H 109.5 . . ?
C03K C041 H04I 109.5 . . ?
H04G C041 H04H 109.5 . . ?
H04G C041 H04I 109.5 . . ?
H04H C041 H04I 109.5 . . ?
C02W C042 H04K 109.2 . . ?
C02W C042 H04L 109.2 . . ?
C02W C042 C04I 112.2(16) . . ?
H04K C042 H04L 107.9 . . ?
C04I C042 H04K 109.2 . . ?
C04I C042 H04L 109.2 . . ?
C01U N043 C021 120.5(12) . . ?
C01U N043 H043 119.8 . . ?
C021 N043 H043 119.8 . . ?
C03O C048 H04M 109.7 . . ?
C03O C048 H04Q 109.7 . . ?
H04M C048 H04Q 108.2 . . ?
C04F C048 C03O 109.7(15) . . ?
C04F C048 H04M 109.7 . . ?
C04F C048 H04Q 109.7 . . ?
C02D C049 H04S 108.5 . . ?
C02D C049 H04U 108.5 . . ?
H04S C049 H04U 107.5 . . ?
C04Z C049 C02D 115.3(16) . . ?
C04Z C049 H04S 108.5 . . ?
C04Z C049 H04U 108.5 . . ?
C031 C04A H04W 109.5 . . ?
C031 C04A H04X 109.5 . . ?
C031 C04A H04Y 109.5 . . ?
H04W C04A H04X 109.5 . . ?
H04W C04A H04Y 109.5 . . ?
H04X C04A H04Y 109.5 . . ?
C048 C04F H04Z 109.7 . . ?
C048 C04F HD 109.7 . . ?
H04Z C04F HD 108.2 . . ?
C05K C04F C048 109.9(16) . . ?
C05K C04F H04Z 109.7 . . ?
C05K C04F HD 109.7 . . ?
N013 C04G N028 125.5(15) . . ?
N022 C04G N013 117.2(16) . . ?
N022 C04G N028 117.3(15) . . ?
C042 C04I H04 109.5 . . ?
C042 C04I HE 109.5 . . ?
C042 C04I HF 109.5 . . ?
H04 C04I HE 109.5 . . ?
H04 C04I HF 109.5 . . ?
HE C04I HF 109.5 . . ?
H04A C04K H04B 107.9 . . ?
C04U C04K H04A 109.2 . . ?
C04U C04K H04B 109.2 . . ?
C055 C04K H04A 109.2 . . ?
C055 C04K H04B 109.2 . . ?
C055 C04K C04U 112.2(16) . . ?
C02U C04M H5 109.5 . . ?
C02U C04M HG 109.5 . . ?
C02U C04M HH 109.5 . . ?
H5 C04M HG 109.5 . . ?
H5 C04M HH 109.5 . . ?
HG C04M HH 109.5 . . ?
C01X C04U C04K 112.8(15) . . ?
C01X C04U H04C 109.0 . . ?
C01X C04U H04F 109.0 . . ?
C04K C04U H04C 109.0 . . ?
C04K C04U H04F 109.0 . . ?
H04C C04U H04F 107.8 . . ?
C049 C04Z H6 109.5 . . ?
C049 C04Z HI 109.5 . . ?
C049 C04Z HJ 109.5 . . ?
H6 C04Z HI 109.5 . . ?
H6 C04Z HJ 109.5 . . ?
HI C04Z HJ 109.5 . . ?
C03Y C052 H05A 108.3 . . ?
C03Y C052 H05B 108.3 . . ?
C03Y C052 C056 115.7(17) . . ?
H05A C052 H05B 107.4 . . ?
C056 C052 H05A 108.3 . . ?
C056 C052 H05B 108.3 . . ?
C04K C055 H05C 109.5 . . ?
C04K C055 H05D 109.5 . . ?
C04K C055 H05E 109.5 . . ?
H05C C055 H05D 109.5 . . ?
H05C C055 H05E 109.5 . . ?
H05D C055 H05E 109.5 . . ?
C052 C056 H05F 109.5 . . ?
C052 C056 H05G 109.5 . . ?
C052 C056 H05H 109.5 . . ?
H05F C056 H05G 109.5 . . ?
H05F C056 H05H 109.5 . . ?
H05G C056 H05H 109.5 . . ?
H05I C05A H05J 109.5 . . ?
H05I C05A H05K 109.5 . . ?
H05J C05A H05K 109.5 . . ?
C14 C05A H05I 109.5 . . ?
C14 C05A H05J 109.5 . . ?
C14 C05A H05K 109.5 . . ?
C03M C05B H05L 109.5 . . ?
C03M C05B H05M 109.5 . . ?
C03M C05B H05N 109.5 . . ?
H05L C05B H05M 109.5 . . ?
H05L C05B H05N 109.5 . . ?
H05M C05B H05N 109.5 . . ?
C04F C05K H05O 109.5 . . ?
C04F C05K H05P 109.5 . . ?
C04F C05K H05Q 109.5 . . ?
H05O C05K H05P 109.5 . . ?
H05O C05K H05Q 109.5 . . ?
H05P C05K H05Q 109.5 . . ?
N037 C14 H14 132.9 . . ?
C05A C14 N037 94.1(17) . . ?
C05A C14 H14 132.9 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Au01 P00J C01Y C01D -21.9(7) . . . . ?
Au01 P00J C01Y C03V 161.8(5) . . . . ?
Au01 P00J C01I C038 137.2(5) . . . . ?
Au01 P00J C01I C027 -44.8(6) . . . . ?
Au01 P00J C01N C01V 159.1(5) . . . . ?
Au01 P00J C01N C1 -21.2(7) . . . . ?
Au02 S00L C01U N028 173.9(12) . . . . ?
Au02 S00L C01U N043 -11.5(13) . . . . ?
Au03 S00K C021 N013 -167.1(13) . . . . ?
Au03 S00K C021 N043 11.9(14) . . . . ?
Au04 P00G C01O C016 -20.8(6) . . . . ?
Au04 P00G C01O C039 167.3(5) . . . . ?
Au04 P00G C02O C019 -25.2(6) . . . . ?
Au04 P00G C02O C02L 150.7(5) . . . . ?
Au04 P00G C01L C02I -32.5(6) . . . . ?
Au04 P00G C01L C02F 150.3(4) . . . . ?
Au05 P00M C01C C03A 136.9(6) . . . . ?
Au05 P00M C01C C01P -41.6(7) . . . . ?
Au05 P00M C01E C03W 146.9(5) . . . . ?
Au05 P00M C01E C01Q -41.2(7) . . . . ?
Au05 P00M C023 C036 143.6(6) . . . . ?
Au05 P00M C023 C03I -38.6(7) . . . . ?
Au06 P00N C02Q C01R 41.9(7) . . . . ?
Au06 P00N C02Q C032 -144.4(6) . . . . ?
Au06 P00N C02C C02R -121.1(6) . . . . ?
Au06 P00N C02C C02K 56.6(7) . . . . ?
Au06 P00N C03S C02H -150.2(5) . . . . ?
Au06 P00N C03S C030 33.1(7) . . . . ?
Pd07 S00A C010 N00R -157.4(9) . . . . ?
Pd07 S00A C010 N015 21.5(11) . . . . ?
Pd07 S00C C01G N00T -151.4(10) . . . . ?
Pd07 S00C C01G N00Y 30.5(11) . . . . ?
Pd07 S00D C012 N00W 27.0(12) . . . . ?
Pd07 S00D C012 N017 -156.0(10) . . . . ?
Pd07 S00F C02M N00S 27.9(11) . . . . ?
Pd07 S00F C02M N014 -154.2(10) . . . . ?
Pd08 S00B C00U N00P -166.4(10) . . . . ?
Pd08 S00B C00U N00Y 19.3(12) . . . . ?
Pd08 S00E C02B N015 27.0(12) . . . . ?
Pd08 S00E C02B N018 -157.4(9) . . . . ?
Pd08 S00H C01H N00S 21.5(12) . . . . ?
Pd08 S00H C01H N01T -159.5(11) . . . . ?
Pd08 S00I C01B N00W 26.5(13) . . . . ?
Pd08 S00I C01B N00Z -162.3(11) . . . . ?
S00A C010 N015 C02B 169.4(10) . . . . ?
S00B C00U N00Y C01G 171.7(10) . . . . ?
S00D C012 N017 C01F -173.7(11) . . . . ?
P00G C02O C02L C034 -175.9(8) . . . . ?
P00G C01L C02I C024 -177.3(7) . . . . ?
P00G C01L C02F C01W 177.2(7) . . . . ?
S00H C01H N01T C02S -172.1(11) . . . . ?
P00J C01I C038 C04O 177.9(8) . . . . ?
P00J C01I C027 C04D -178.0(8) . . . . ?
P00J C01N C01V C029 179.7(8) . . . . ?
P00J C01N C1 C02V -179.7(8) . . . . ?
S00K C021 N043 C01U 173.9(12) . . . . ?
S00L C01U N028 C04G 176.2(12) . . . . ?
S00L C01U N043 C021 -167.4(12) . . . . ?
P00M C01C C03A C04R -178.4(9) . . . . ?
P00M C01C C01P C04E 178.5(8) . . . . ?
P00M C01E C03W C047 171.7(9) . . . . ?
P00M C01E C01Q C03X -171.9(8) . . . . ?
P00M C023 C036 C03Q 177.7(9) . . . . ?
P00M C023 C03I C04J -177.8(9) . . . . ?
P00N C02Q C032 C03E -173.6(9) . . . . ?
P00N C02C C02R C050 177.7(9) . . . . ?
P00N C02C C02K C03D -177.8(9) . . . . ?
P00N C03S C030 C03P 176.7(9) . . . . ?
N00P C00U N00Y C01G -2(2) . . . . ?
N00R C010 N015 C02B -12(2) . . . . ?
N00S C01H N01T C02S 7(2) . . . . ?
C00U N00P C011 N00T 1(2) . . . . ?
C00U N00P C011 N00V 179.2(13) . . . . ?
C00U N00Y C01G S00C 179.4(10) . . . . ?
C00U N00Y C01G N00T 1(2) . . . . ?
N00V C01M C01S C031 -174.8(11) . . . . ?
N00W C012 N017 C01F 3(2) . . . . ?
N00X C02J C02N C02U -166.0(13) . . . . ?
C010 N00R C01K N00X -172.7(12) . . . . ?
C010 N00R C01K N018 9(2) . . . . ?
C010 N015 C02B S00E -175.9(10) . . . . ?
C010 N015 C02B N018 9(2) . . . . ?
C011 N00P C00U S00B -172.8(10) . . . . ?
C011 N00P C00U N00Y 1(2) . . . . ?
C011 N00T C01G S00C -177.3(10) . . . . ?
C011 N00T C01G N00Y 1(2) . . . . ?
C011 N00V C01M C01S -82.5(16) . . . . ?
C011 N00V C03J C02G 115.8(14) . . . . ?
C012 N00W C01B S00I -179.9(11) . . . . ?
C012 N00W C01B N00Z 9(2) . . . . ?
C012 N017 C01F N00Z 4(2) . . . . ?
C012 N017 C01F N01A -174.5(13) . . . . ?
N013 C021 N043 C01U -7(2) . . . . ?
N014 C02S N037 C02W 4(3) . . . . ?
N014 C02S N037 C14 -155.5(17) . . . . ?
C016 C02A C02X C02Y 0.0 . . . . ?
C02A C016 C01O P00G -172.0(7) . . . . ?
C02A C016 C01O C039 0.0 . . . . ?
C02A C02X C02Y C039 0.0 . . . . ?
C02X C02Y C039 C01O 0.0 . . . . ?
C02Y C039 C01O P00G 171.7(8) . . . . ?
C02Y C039 C01O C016 0.0 . . . . ?
C01O P00G C02O C019 103.3(6) . . . . ?
C01O P00G C02O C02L -80.8(7) . . . . ?
C01O P00G C01L C02I -158.1(5) . . . . ?
C01O P00G C01L C02F 24.7(7) . . . . ?
C01O C016 C02A C02X 0.0 . . . . ?
C019 C02O C02L C034 0.0 . . . . ?
C02O P00G C01O C016 -147.0(5) . . . . ?
C02O P00G C01O C039 41.1(7) . . . . ?
C02O P00G C01L C02I 88.2(6) . . . . ?
C02O P00G C01L C02F -89.0(6) . . . . ?
C02O C019 C01Z C03L 0.0 . . . . ?
C02O C02L C034 C03L 0.0 . . . . ?
C02L C034 C03L C01Z 0.0 . . . . ?
C034 C03L C01Z C019 0.0 . . . . ?
C01Z C019 C02O P00G 176.0(8) . . . . ?
C01Z C019 C02O C02L 0.0 . . . . ?
N01A C03B C03R C03K -177.9(12) . . . . ?
N01A C03O C048 C04F 174.0(13) . . . . ?
C01B N00W C012 S00D 167.4(11) . . . . ?
C01B N00W C012 N017 -10(2) . . . . ?
C01B N00Z C01F N017 -5(2) . . . . ?
C01B N00Z C01F N01A 173.6(14) . . . . ?
C01C P00M C01E C03W -87.5(7) . . . . ?
C01C P00M C01E C01Q 84.3(7) . . . . ?
C01C P00M C023 C036 21.1(8) . . . . ?
C01C P00M C023 C03I -161.2(6) . . . . ?
C01C C03A C04R C04V 0.0 . . . . ?
C03A C01C C01P C04E 0.0 . . . . ?
C03A C04R C04V C04E 0.0 . . . . ?
C04R C04V C04E C01P 0.0 . . . . ?
C04V C04E C01P C01C 0.0 . . . . ?
C01P C01C C03A C04R 0.0 . . . . ?
C01D C02Z C035 C040 0.0 . . . . ?
C02Z C01D C01Y P00J -176.4(8) . . . . ?
C02Z C01D C01Y C03V 0.0 . . . . ?
C02Z C035 C040 C03V 0.0 . . . . ?
C035 C040 C03V C01Y 0.0 . . . . ?
C040 C03V C01Y P00J 176.3(9) . . . . ?
C040 C03V C01Y C01D 0.0 . . . . ?
C01Y P00J C01I C038 -101.2(7) . . . . ?
C01Y P00J C01I C027 76.8(7) . . . . ?
C01Y P00J C01N C01V 35.3(7) . . . . ?
C01Y P00J C01N C1 -145.0(6) . . . . ?
C01Y C01D C02Z C035 0.0 . . . . ?
C01E P00M C01C C03A 8.5(8) . . . . ?
C01E P00M C01C C01P -169.9(6) . . . . ?
C01E P00M C023 C036 -88.8(8) . . . . ?
C01E P00M C023 C03I 89.0(7) . . . . ?
C01E C03W C047 C04P 0.0 . . . . ?
C03W C01E C01Q C03X 0.0 . . . . ?
C03W C047 C04P C03X 0.0 . . . . ?
C047 C04P C03X C01Q 0.0 . . . . ?
C04P C03X C01Q C01E 0.0 . . . . ?
C01Q C01E C03W C047 0.0 . . . . ?
C01F N00Z C01B S00I -173.1(11) . . . . ?
C01F N00Z C01B N00W -2(2) . . . . ?
C01F N01A C03B C03R -80.7(18) . . . . ?
C01F N01A C03O C048 -89.0(19) . . . . ?
C01G N00T C011 N00P -2(2) . . . . ?
C01G N00T C011 N00V 180.0(12) . . . . ?
C01H N00S C02M S00F -177.9(10) . . . . ?
C01H N00S C02M N014 4(2) . . . . ?
C01H N01T C02S N014 -1(2) . . . . ?
C01H N01T C02S N037 173.0(15) . . . . ?
C01I P00J C01Y C01D -144.9(6) . . . . ?
C01I P00J C01Y C03V 38.8(7) . . . . ?
C01I P00J C01N C01V -75.3(7) . . . . ?
C01I P00J C01N C1 104.4(6) . . . . ?
C01I C038 C04O C04N 0.0 . . . . ?
C038 C01I C027 C04D 0.0 . . . . ?
C038 C04O C04N C04D 0.0 . . . . ?
C04O C04N C04D C027 0.0 . . . . ?
C04N C04D C027 C01I 0.0 . . . . ?
C027 C01I C038 C04O 0.0 . . . . ?
C01K N00R C010 S00A -177.8(10) . . . . ?
C01K N00R C010 N015 3.3(19) . . . . ?
C01K N00X C02J C02N -76.1(17) . . . . ?
C01K N00X C03F C02D -93.2(17) . . . . ?
C01K N018 C02B S00E -173.0(9) . . . . ?
C01K N018 C02B N015 2.5(19) . . . . ?
C01L P00G C01O C016 101.1(6) . . . . ?
C01L P00G C01O C039 -70.8(7) . . . . ?
C01L P00G C02O C019 -144.6(6) . . . . ?
C01L P00G C02O C02L 31.3(7) . . . . ?
C01L C02I C024 C03G 0.0 . . . . ?
C02I C01L C02F C01W 0.0 . . . . ?
C02I C024 C03G C01W 0.0 . . . . ?
C024 C03G C01W C02F 0.0 . . . . ?
C03G C01W C02F C01L 0.0 . . . . ?
C02F C01L C02I C024 0.0 . . . . ?
C01M N00V C011 N00P -168.1(13) . . . . ?
C01M N00V C011 N00T 10(2) . . . . ?
C01M N00V C03J C02G -72.6(17) . . . . ?
C01M C01S C031 C04A -171.9(13) . . . . ?
C01N P00J C01Y C01D 104.5(7) . . . . ?
C01N P00J C01Y C03V -71.8(7) . . . . ?
C01N P00J C01I C038 10.4(7) . . . . ?
C01N P00J C01I C027 -171.6(6) . . . . ?
C01N C01V C029 C026 0.0 . . . . ?
C01V C01N C1 C02V 0.0 . . . . ?
C01V C029 C026 C02V 0.0 . . . . ?
C029 C026 C02V C1 0.0 . . . . ?
C026 C02V C1 C01N 0.0 . . . . ?
C1 C01N C01V C029 0.0 . . . . ?
C01R C02Q C032 C03E 0.0 . . . . ?
C02Q P00N C02C C02R 116.8(7) . . . . ?
C02Q P00N C02C C02K -65.5(8) . . . . ?
C02Q P00N C03S C02H -26.3(8) . . . . ?
C02Q P00N C03S C030 157.0(6) . . . . ?
C02Q C01R C03Z C03N 0.0 . . . . ?
C02Q C032 C03E C03N 0.0 . . . . ?
C032 C03E C03N C03Z 0.0 . . . . ?
C03E C03N C03Z C01R 0.0 . . . . ?
C03Z C01R C02Q P00N 173.8(9) . . . . ?
C03Z C01R C02Q C032 0.0 . . . . ?
N01T C02S N037 C02W -171.1(16) . . . . ?
N01T C02S N037 C14 30(3) . . . . ?
C01U N028 C04G N013 -12(3) . . . . ?
C01U N028 C04G N022 171.4(16) . . . . ?
C01X N022 C033 C03Y -84.6(19) . . . . ?
C01X N022 C04G N013 170.1(16) . . . . ?
C01X N022 C04G N028 -13(3) . . . . ?
C021 N013 C04G N022 -171.3(17) . . . . ?
C021 N013 C04G N028 12(3) . . . . ?
N022 C01X C04U C04K -174.9(14) . . . . ?
N022 C033 C03Y C052 -179.4(14) . . . . ?
C023 P00M C01C C03A -102.1(7) . . . . ?
C023 P00M C01C C01P 79.5(7) . . . . ?
C023 P00M C01E C03W 23.6(8) . . . . ?
C023 P00M C01E C01Q -164.6(6) . . . . ?
C023 C036 C03Q C04T 0.0 . . . . ?
C036 C023 C03I C04J 0.0 . . . . ?
C036 C03Q C04T C04J 0.0 . . . . ?
C03Q C04T C04J C03I 0.0 . . . . ?
C04T C04J C03I C023 0.0 . . . . ?
C03I C023 C036 C03Q 0.0 . . . . ?
N028 C01U N043 C021 7(2) . . . . ?
C02B N018 C01K N00R -12(2) . . . . ?
C02B N018 C01K N00X 169.7(12) . . . . ?
C02C P00N C02Q C01R 165.1(6) . . . . ?
C02C P00N C02Q C032 -21.2(8) . . . . ?
C02C P00N C03S C02H 83.8(8) . . . . ?
C02C P00N C03S C030 -92.9(7) . . . . ?
C02C C02R C050 C046 0.0 . . . . ?
C02R C02C C02K C03D 0.0 . . . . ?
C02R C050 C046 C03D 0.0 . . . . ?
C050 C046 C03D C02K 0.0 . . . . ?
C046 C03D C02K C02C 0.0 . . . . ?
C02K C02C C02R C050 0.0 . . . . ?
C02H C03S C030 C03P 0.0 . . . . ?
C03S P00N C02Q C01R -84.2(7) . . . . ?
C03S P00N C02Q C032 89.5(8) . . . . ?
C03S P00N C02C C02R 6.0(8) . . . . ?
C03S P00N C02C C02K -176.3(7) . . . . ?
C03S C02H C044 C03H 0.0 . . . . ?
C03S C030 C03P C03H 0.0 . . . . ?
C030 C03P C03H C044 0.0 . . . . ?
C03P C03H C044 C02H 0.0 . . . . ?
C044 C02H C03S P00N -176.7(9) . . . . ?
C044 C02H C03S C030 0.0 . . . . ?
C02J N00X C01K N00R -177.1(13) . . . . ?
C02J N00X C01K N018 1.5(19) . . . . ?
C02J N00X C03F C02D 94.0(17) . . . . ?
C02J C02N C02U C04M -179.4(14) . . . . ?
C02M N00S C01H S00H 170.5(10) . . . . ?
C02M N00S C01H N01T -9(2) . . . . ?
C02M N014 C02S N01T -3(2) . . . . ?
C02M N014 C02S N037 -176.9(16) . . . . ?
C02S N014 C02M S00F -176.6(11) . . . . ?
C02S N014 C02M N00S 1(2) . . . . ?
C02S N037 C14 C05A -99(2) . . . . ?
C02W N037 C14 C05A 101(2) . . . . ?
C033 N022 C04G N013 1(3) . . . . ?
C033 N022 C04G N028 178.3(16) . . . . ?
C033 C03Y C052 C056 71(2) . . . . ?
N037 C02W C042 C04I 174.2(16) . . . . ?
C03B N01A C01F N00Z 8(2) . . . . ?
C03B N01A C01F N017 -173.8(13) . . . . ?
C03B N01A C03O C048 99.3(17) . . . . ?
C03F N00X C01K N00R 10.1(19) . . . . ?
C03F N00X C01K N018 -171.3(12) . . . . ?
C03F N00X C02J C02N 96.6(16) . . . . ?
C03F C02D C049 C04Z -170.1(16) . . . . ?
C03J N00V C011 N00P 3(2) . . . . ?
C03J N00V C011 N00T -178.9(13) . . . . ?
C03J N00V C01M C01S 106.0(14) . . . . ?
C03J C02G C03M C05B -178.4(14) . . . . ?
C03M C02G C03J N00V 177.1(12) . . . . ?
C03O N01A C01F N00Z -163.7(14) . . . . ?
C03O N01A C01F N017 15(2) . . . . ?
C03O N01A C03B C03R 91.2(16) . . . . ?
C03O C048 C04F C05K -171.8(15) . . . . ?
C041 C03K C03R C03B -169.8(14) . . . . ?
C042 C02W N037 C02S -86(2) . . . . ?
C042 C02W N037 C14 74(2) . . . . ?
N043 C01U N028 C04G 2(2) . . . . ?
C049 C02D C03F N00X 174.7(13) . . . . ?
C04G N013 C021 S00K 177.1(13) . . . . ?
C04G N013 C021 N043 -2(2) . . . . ?
C04G N022 C033 C03Y 85(2) . . . . ?
C04U C01X N022 C033 -85(2) . . . . ?
C04U C01X N022 C04G 105(2) . . . . ?
C055 C04K C04U C01X -54(2) . . . . ?

_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 -0.621 0.500 1425.0 136.4 ?
2 0.084 0.246 0.096 18.1 0.0 ?
3 -0.084 0.754 0.904 18.1 0.0 ?

_olex2_submission_special_instructions 'No special instructions were received'
_STOE_detector_distance          '60.0 mm'
_STOE_detector_pixelsize_x       '0.172 mm'
_STOE_detector_pixelsize_y       '0.172 mm'
_STOE_detector_size_x            '8.4 cm'
_STOE_detector_size_y            '10.6 cm'
_STOE_evaluation_integration_A   5.5
_STOE_evaluation_integration_B   -0.6
_STOE_evaluation_integration_EMS 0.010
_STOE_evaluation_LANA_BIS_l_even_max -
_STOE_evaluation_LANA_BIS_l_odd_max -
_STOE_evaluation_LANA_BOS_l_even_max 4
_STOE_evaluation_LANA_BOS_l_odd_max 1
_STOE_evaluation_LANA_completeness 93.4
_STOE_evaluation_LANA_DXS_max_order 3
_STOE_evaluation_LANA_DYS_max_order 3
_STOE_evaluation_LANA_FS_max_order 3
_STOE_evaluation_LANA_max_2theta_available 140.5
_STOE_evaluation_LANA_max_2theta_desired 140.5
_STOE_evaluation_LANA_mean_redundancy 2.3
_STOE_evaluation_LANA_number_refls_after_OR 63121
_STOE_evaluation_LANA_number_refls_outliers 5479
_STOE_evaluation_LANA_number_refls_total 68600
_STOE_evaluation_LANA_number_refls_unique 27203
_STOE_evaluation_LANA_number_refls_written 63121
_STOE_evaluation_LANA_OR_c1      0.035
_STOE_evaluation_LANA_OR_c2      0
_STOE_evaluation_LANA_OR_c3      0
_STOE_evaluation_LANA_OR_c4      0.7
_STOE_evaluation_LANA_point_group -1
_STOE_evaluation_LANA_table      
;
#----------------------------------------------------------------------------
2Theta          17.1   31.7   46.3   60.9   75.5   90.1  104.7  119.3  133.9
#----------------------------------------------------------------------------
<Resolution>    4.48   2.72   1.94   1.51   1.24   1.09   0.97   0.89   0.84
N(total)         481   1829   3299   4317  13518  13771  13480  11723   6182
<Redundancy>     1.6    1.8    1.7    1.5    3.1    2.7    2.5    2.3    2.0
Complet. [%%]    92.3   96.8   97.0   94.1   97.8   99.2   98.7   96.8   69.4
<I/sigma>       31.7   22.9   17.3    8.2    6.4    4.3    3.7    3.3    2.7
R(int)         0.049  0.041  0.055  0.088  0.056  0.063  0.076  0.090  0.164
#----------------------------------------------------------------------------
;
_STOE_measurement_identifier     1
_STOE_measurement_max_exposure_per_frame '2.0 s'
_STOE_measurement_mean_exposure_per_frame '1.7 s'
_STOE_measurement_min_exposure_per_frame '1.0 s'
_STOE_measurement_total_exposure_time '52 min'
_STOE_measurement_total_frame_number 1775
_STOE_measurement_total_run_number 31
_STOE_measurement_tube_power     '30.0 W'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_2_sq
_database_code_depnum_ccdc_archive 'CCDC 2401398'
loop_
_audit_author_name
_audit_author_address
'Honglei Shen'
;Anhui university
China
;
_audit_update_record             
;
2025-01-12 deposited with the CCDC.	2025-01-16 downloaded from the CCDC.
;
_audit_creation_date             2025-01-10
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2019/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'C166 H157 Au12 N8 P8 Pd S4, 2(C44 H76.259 N16 Pd2 S8)'
_chemical_formula_sum            'C254 H309.49 Au12 N40 P8 Pd5 S20'
_chemical_formula_weight         7707.44
_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'
N N 0.0311 0.0180 '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'
Pd Pd 0.1215 3.9337 '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      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   17.130(3)
_cell_length_b                   53.449(11)
_cell_length_c                   17.415(4)
_cell_angle_alpha                90
_cell_angle_beta                 90.68(3)
_cell_angle_gamma                90
_cell_volume                     15944(6)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    46543
_cell_measurement_temperature    120
_cell_measurement_theta_max      70.08
_cell_measurement_theta_min      3.64
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    14.290
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            brown
_exptl_crystal_colour_primary    brown
_exptl_crystal_density_diffrn    1.605
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             7463
_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  0.0614
_diffrn_reflns_av_unetI/netI     0.0521
_diffrn_reflns_Laue_measured_fraction_full 0.948
_diffrn_reflns_Laue_measured_fraction_max 0.948
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       54
_diffrn_reflns_limit_k_min       -61
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            93160
_diffrn_reflns_point_group_measured_fraction_full 0.948
_diffrn_reflns_point_group_measured_fraction_max 0.948
_diffrn_reflns_theta_full        62.500
_diffrn_reflns_theta_max         62.500
_diffrn_reflns_theta_min         3.641
_diffrn_ambient_temperature      120
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.948
_diffrn_measured_fraction_theta_max 0.948
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                19756
_reflns_number_total             24096
_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 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/3 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.5 (Bourhis et al., 2015)'
_refine_diff_density_max         2.660
_refine_diff_density_min         -2.884
_refine_diff_density_rms         0.275
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1468
_refine_ls_number_reflns         24096
_refine_ls_number_restraints     3058
_refine_ls_R_factor_all          0.0775
_refine_ls_R_factor_gt           0.0650
_refine_ls_restrained_S_all      1.000
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1041P)²+256.2924P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1759
_refine_ls_wR_factor_ref         0.1854
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, {H03Y,H03L,H03M} of C03Y, {H05Q,H05O,H05P} of C05A, All
  C(H,H) groups, All C(H,H,H,H) groups, All N(H) groups
 At 1.5 times of:
  {H03I,H03J,H03K} of C03U, {H03U,H03V,H03W} of C037, {H0A,H0B,H0C} of C0,
  {H04K,H04L,H04M} of C04M, {HAA,HAB,HAC} of CA, {H4AA,H4AB,H4AC} of C4A, {H2A,
  H2B,H2C} of C2, {H7BA,H7BB,H7BC} of C7B, {H4BA,H4BB,H4BC} of C4B, {H6BA,H6BB,
  H6BC} of C6B, {H05A,H05B,H05C} of C051, {H6AA,H6AB,H6AC} of C6A, {HBA,HBB,
  HBC} of CB, {H04N,H04O,H04P} of C04T
2. Restrained distances
 C7B-C05H
 1.72 with sigma of 0.01
 C7A-C05H
 1.72 with sigma of 0.01
 C7A-C05I
 2.7 with sigma of 0.01
 H00O-H03G
 1.89 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
C00U \\sim C039 \\sim C03P \\sim C01L \\sim C02O \\sim C023 \\sim C04P \\sim
C03M \\sim C02H \\sim C01W \\sim C032 \\sim C015 \\sim C046 \\sim C00W \\sim
C05I \\sim C012 \\sim C02E \\sim C016 \\sim C02I \\sim C01C \\sim C02V \\sim
C02X \\sim C03C \\sim C022 \\sim C03Z \\sim C02P \\sim C04C \\sim C01M \\sim
C057 \\sim C019 \\sim C7B \\sim C01A \\sim C03J \\sim C01D \\sim C02B \\sim
C027 \\sim C024 \\sim C02U \\sim C02M \\sim C02S \\sim C02R \\sim C021 \\sim
C030 \\sim C01R \\sim C037 \\sim C01E \\sim C03H \\sim C01J \\sim C03U \\sim
C033 \\sim C044 \\sim C04F \\sim C048 \\sim C03B \\sim C04L \\sim C01Z \\sim
C051 \\sim C01F \\sim C05C \\sim C01G \\sim C4B \\sim C01H \\sim C6B \\sim C042
\\sim C038 \\sim C04V \\sim C02C \\sim C05F \\sim C02F \\sim C04U \\sim C02Z
\\sim C026 \\sim C029 \\sim C01I \\sim C02G \\sim C01K \\sim C02L \\sim C01N
\\sim C02N \\sim C01Q \\sim C02Q \\sim C01T \\sim C02T \\sim C02A \\sim C02W
\\sim C02J \\sim C031 \\sim C03N \\sim C035 \\sim C02D \\sim C03A \\sim C02Y
\\sim C03G \\sim C01U \\sim C03L \\sim C01V \\sim C03S \\sim C03X \\sim C03Y
\\sim C040 \\sim C041 \\sim C04S \\sim C0 \\sim C050 \\sim C047 \\sim C025
\\sim C04B \\sim C01X \\sim C04D \\sim C01Y \\sim C04M \\sim C02K \\sim C04T
\\sim C034 \\sim C056 \\sim C043 \\sim C05A \\sim C04X \\sim C05H \\sim C03R
\\sim CB \\sim C020 \\sim C1 \\sim C028 \\sim C3 \\sim C03Q \\sim C04A: within
3.8A with sigma of 0.01 and sigma for terminal atoms of 0.02 within 3.8A
C02Y \\sim P00H: within 3.8A with sigma of 0.01 and sigma for terminal atoms of
0.02 within 3.8A
C7B \\sim C7A \\sim CB \\sim CA \\sim C6B \\sim C6A \\sim C4B \\sim C4A \\sim
C0 \\sim C2: within 3.8A with sigma of 0.01 and sigma for terminal atoms of
0.02 within 3.8A
Uanis(C00U) \\sim Ueq, Uanis(C039) \\sim Ueq, Uanis(C03P) \\sim Ueq,
Uanis(C01L) \\sim Ueq, Uanis(C02O) \\sim Ueq, Uanis(C023) \\sim Ueq,
Uanis(C04P) \\sim Ueq, Uanis(C03M) \\sim Ueq, Uanis(C02H) \\sim Ueq,
Uanis(C01W) \\sim Ueq, Uanis(C032) \\sim Ueq, Uanis(C015) \\sim Ueq,
Uanis(C046) \\sim Ueq, Uanis(C00W) \\sim Ueq, Uanis(C05I) \\sim Ueq,
Uanis(C012) \\sim Ueq, Uanis(C02E) \\sim Ueq, Uanis(C016) \\sim Ueq,
Uanis(C02I) \\sim Ueq, Uanis(C01C) \\sim Ueq, Uanis(C02V) \\sim Ueq,
Uanis(C02X) \\sim Ueq, Uanis(C03C) \\sim Ueq, Uanis(C022) \\sim Ueq,
Uanis(C03Z) \\sim Ueq, Uanis(C02P) \\sim Ueq, Uanis(C04C) \\sim Ueq,
Uanis(C01M) \\sim Ueq, Uanis(C057) \\sim Ueq, Uanis(C019) \\sim Ueq, Uanis(C7B)
\\sim Ueq, Uanis(C01A) \\sim Ueq, Uanis(C03J) \\sim Ueq, Uanis(C01D) \\sim Ueq,
Uanis(C02B) \\sim Ueq, Uanis(C027) \\sim Ueq, Uanis(C024) \\sim Ueq,
Uanis(C02U) \\sim Ueq, Uanis(C02M) \\sim Ueq, Uanis(C02S) \\sim Ueq,
Uanis(C02R) \\sim Ueq, Uanis(C021) \\sim Ueq, Uanis(C030) \\sim Ueq,
Uanis(C01R) \\sim Ueq, Uanis(C037) \\sim Ueq, Uanis(C01E) \\sim Ueq,
Uanis(C03H) \\sim Ueq, Uanis(C01J) \\sim Ueq, Uanis(C03U) \\sim Ueq,
Uanis(C033) \\sim Ueq, Uanis(C044) \\sim Ueq, Uanis(C04F) \\sim Ueq,
Uanis(C048) \\sim Ueq, Uanis(C03B) \\sim Ueq, Uanis(C04L) \\sim Ueq,
Uanis(C01Z) \\sim Ueq, Uanis(C051) \\sim Ueq, Uanis(C01F) \\sim Ueq,
Uanis(C05C) \\sim Ueq, Uanis(C01G) \\sim Ueq, Uanis(C4B) \\sim Ueq, Uanis(C01H)
\\sim Ueq, Uanis(C6B) \\sim Ueq, Uanis(C042) \\sim Ueq, Uanis(C038) \\sim Ueq,
Uanis(C04V) \\sim Ueq, Uanis(C02C) \\sim Ueq, Uanis(C05F) \\sim Ueq,
Uanis(C02F) \\sim Ueq, Uanis(C04U) \\sim Ueq, Uanis(C02Z) \\sim Ueq,
Uanis(C026) \\sim Ueq, Uanis(C029) \\sim Ueq, Uanis(C01I) \\sim Ueq,
Uanis(C02G) \\sim Ueq, Uanis(C01K) \\sim Ueq, Uanis(C02L) \\sim Ueq,
Uanis(C01N) \\sim Ueq, Uanis(C02N) \\sim Ueq, Uanis(C01Q) \\sim Ueq,
Uanis(C02Q) \\sim Ueq, Uanis(C01T) \\sim Ueq, Uanis(C02T) \\sim Ueq,
Uanis(C02A) \\sim Ueq, Uanis(C02W) \\sim Ueq, Uanis(C02J) \\sim Ueq,
Uanis(C031) \\sim Ueq, Uanis(C03N) \\sim Ueq, Uanis(C035) \\sim Ueq,
Uanis(C02D) \\sim Ueq, Uanis(C03A) \\sim Ueq, Uanis(C02Y) \\sim Ueq,
Uanis(C03G) \\sim Ueq, Uanis(C01U) \\sim Ueq, Uanis(C03L) \\sim Ueq,
Uanis(C01V) \\sim Ueq, Uanis(C03S) \\sim Ueq, Uanis(C03X) \\sim Ueq,
Uanis(C03Y) \\sim Ueq, Uanis(C040) \\sim Ueq, Uanis(C041) \\sim Ueq,
Uanis(C04S) \\sim Ueq, Uanis(C0) \\sim Ueq, Uanis(C050) \\sim Ueq, Uanis(C047)
\\sim Ueq, Uanis(C025) \\sim Ueq, Uanis(C04B) \\sim Ueq, Uanis(C01X) \\sim Ueq,
Uanis(C04D) \\sim Ueq, Uanis(C01Y) \\sim Ueq, Uanis(C04M) \\sim Ueq,
Uanis(C02K) \\sim Ueq, Uanis(C04T) \\sim Ueq, Uanis(C034) \\sim Ueq,
Uanis(C056) \\sim Ueq, Uanis(C043) \\sim Ueq, Uanis(C05A) \\sim Ueq,
Uanis(C04X) \\sim Ueq, Uanis(C05H) \\sim Ueq, Uanis(C03R) \\sim Ueq, Uanis(CB)
\\sim Ueq, Uanis(C020) \\sim Ueq, Uanis(C1) \\sim Ueq, Uanis(C028) \\sim Ueq,
Uanis(C3) \\sim Ueq, Uanis(C03Q) \\sim Ueq, Uanis(C04A) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
Uanis(C02Y) \\sim Ueq, Uanis(P00H) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C4B) \\sim Ueq, Uanis(C4A) \\sim Ueq, Uanis(C0) \\sim Ueq, Uanis(C2)
\\sim Ueq, Uanis(C7B) \\sim Ueq, Uanis(C7A) \\sim Ueq, Uanis(C6B) \\sim Ueq,
Uanis(C6A) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
4. Others
 Sof(H05J)=Sof(H05K)=FVAR(1)
 Fixed Sof: H03Y(0.5) H03L(0.5) H03M(0.5) C0(0.5) H0A(0.5) H0B(0.5) H0C(0.5)
 H05Q(0.5) H05O(0.5) H05P(0.5) H05H(0.5) H05I(0.5) H05F(0.5) H05G(0.5)
 H05L(0.5) H05M(0.5) CB(0.5) HBA(0.5) HBB(0.5) HBC(0.5) C4B(0.5) H4BA(0.5)
 H4BB(0.5) H4BC(0.5) C7B(0.5) H7BA(0.5) H7BB(0.5) H7BC(0.5) H3BC(0.5) H3BD(0.5)
 H3AA(0.5) H3AB(0.5) C6B(0.5) H6BA(0.5) H6BB(0.5) H6BC(0.5) C6A(0.5) H6AA(0.5)
 H6AB(0.5) H6AC(0.5) CA(0.5) HAA(0.5) HAB(0.5) HAC(0.5) C7A(0.5) C2(0.5)
 H2A(0.5) H2B(0.5) H2C(0.5) C4A(0.5) H4AA(0.5) H4AB(0.5) H4AC(0.5)
5.a Secondary CH2 refined with riding coordinates:
 C01G(H01A,H01B), C01Q(H01C,H01D), C01X(H01E,H01F), C02G(H02A,H02B), C02Q(H02C,
 H02D), C02R(H02E,H02F), C02T(H02G,H02H), C02W(H02L,H02M), C030(H03A,H03B),
 C032(H03C,H03D), C035(H03E,H03F), C03A(H03G,H03H), C03G(H03Z,H), C03P(H03,HA),
 C03S(H1,HB), C03Y(H03L,H03M), C03Z(H03N,H03O), C046(H04A,H04B), C048(H04T,
 H04W), C04B(H04C,H04D), C04C(H04E,H04F), C04D(H04G,H04H), C04L(H04I,H04J),
 C057(H05D,H05E), C05A(H05O,H05P), C05C(H05H,H05I), C05C(H05F,H05G), C05H(H05J,
 H05K), C05I(H05L,H05M), C1(H1A,H1B), C3(H3BC,H3BD), C3(H3AA,H3AB)
5.b Aromatic/amide H refined with riding coordinates:
 N00O(H00O), N00R(H00R), N00S(H00S), N00T(H00T), C01L(H01L), C023(H023),
 C03M(H03P), C01W(H01W), C015(H015), N013(H013), N014(H014), C01C(H01G),
 C02X(H02X), C022(H022), C02P(H02P), C01M(H01M), N017(H017), C027(H027),
 C02U(H02U), C02S(H02S), C021(H021), C01R(H01R), C01J(H01J), C033(H033),
 C04F(H04Q), C03B(H03Q), C01Z(H01Z), C01H(H01H), C042(H042), C04V(H04V),
 C05F(H05N), C04U(H04U), N01O(H01O), C01T(H01T), C02A(H02N), C02J(H02O),
 C03N(H2), C02D(H02Q), C01V(H01V), C03X(H03X), C040(H040), C04S(H04S),
 C050(H050), C01Y(H01Y), C034(H034), C043(H043), C04X(H04X), C03R(H03R),
 C028(H028), C03Q(H03S), C04A(H04R), C039(H039), C03J(H03T), C02F(H02I),
 C02B(H02J), C02Z(H02Z), C02H(H02K), C024(H024), C02I(H02R), C02L(H02T),
 C02O(H02V), C03C(H3), C03H(H4), C03Y(H03Y), C041(H041), C044(H044), C047(H047),
  C04P(H04Y), C056(H056), C05A(H05Q), N5(H5)
5.c Fitted hexagon refined as free rotating group:
 C00U(C01L,C023,C03M,C01W,C015), C016(C01C,C02X,C022,C02P,C01M), C01D(C027,
 C02U,C02S,C021,C01R), C01E(C01J,C033,C04F,C03B,C01Z), C01H(C042,C04V,C05F,C04U,
 C026), C01T(C02A,C02J,C03N,C02D,C02Y), C01V(C03X,C040,C04S,C050,C025),
 C01Y(C02K,C034,C043,C04X,C03R), C028(C03Q,C04A,C039,C038,C03J), C02F(C02B,C02Z,
 C02H,C029,C024)
5.d Idealised Me refined as rotating group:
 C037(H03U,H03V,H03W), C03U(H03I,H03J,H03K), C0(H0A,H0B,H0C), C04M(H04K,H04L,
 H04M), C04T(H04N,H04O,H04P), C051(H05A,H05B,H05C), CB(HBA,HBB,HBC), C4B(H4BA,
 H4BB,H4BC), C7B(H7BA,H7BB,H7BC), C6B(H6BA,H6BB,H6BC), C6A(H6AA,H6AB,H6AC),
 CA(HAA,HAB,HAC), C2(H2A,H2B,H2C), C4A(H4AA,H4AB,H4AC)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_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 0.57547(3) 0.53461(2) 0.58811(3) 0.02343(13) Uani 1 1 d . . . . .
Au02 Au 0.56208(3) 0.48332(2) 0.63857(3) 0.02307(13) Uani 1 1 d . . . . .
Au03 Au 0.42297(3) 0.46168(2) 0.57434(3) 0.02297(13) Uani 1 1 d . . . . .
Au04 Au 0.41796(3) 0.51158(2) 0.63045(3) 0.02239(13) Uani 1 1 d . . . . .
Au05 Au 0.33817(3) 0.50213(2) 0.48900(3) 0.02263(13) Uani 1 1 d . . . . .
Au06 Au 0.42803(3) 0.54686(2) 0.50714(3) 0.02304(13) Uani 1 1 d . . . . .
Pd07 Pd 0.500000 0.500000 0.500000 0.0200(3) Uani 1 2 d S . P . .
Pd08 Pd 0.38040(5) 0.76922(2) 1.10574(5) 0.0236(2) Uani 1 1 d . . . . .
Pd09 Pd 0.36857(6) 0.68209(2) 1.09838(5) 0.0253(2) Uani 1 1 d . . . . .
S00A S 0.63562(19) 0.56145(6) 0.68308(19) 0.0307(7) Uani 1 1 d . . . . .
P00B P 0.60708(19) 0.47572(6) 0.76250(19) 0.0265(7) Uani 1 1 d . . . . .
S00C S 0.35926(19) 0.52970(6) 0.74108(18) 0.0277(7) Uani 1 1 d . . . . .
S00D S 0.37207(19) 0.77137(6) 1.24060(18) 0.0280(7) Uani 1 1 d . . . . .
S00E S 0.24532(19) 0.77230(6) 1.09727(19) 0.0287(7) Uani 1 1 d . . . . .
S00F S 0.45480(19) 0.67797(6) 1.2009(2) 0.0304(7) Uani 1 1 d . . . . .
S00G S 0.39148(19) 0.77291(6) 0.97318(18) 0.0289(7) Uani 1 1 d . . . . .
P00H P 0.64392(19) 0.56642(6) 1.3505(2) 0.0266(7) Uani 1 1 d . U . . .
S00I S 0.4725(2) 0.67737(6) 1.0171(2) 0.0329(7) Uani 1 1 d . . . . .
S00J S 0.51697(19) 0.77135(6) 1.1155(2) 0.0304(7) Uani 1 1 d . . . . .
P00K P 0.20429(19) 0.50282(6) 0.4894(2) 0.0281(7) Uani 1 1 d . . . . .
S00L S 0.2869(2) 0.68037(6) 0.9904(2) 0.0330(7) Uani 1 1 d . . . . .
P00M P 0.3657(2) 0.58477(6) 0.5340(2) 0.0272(7) Uani 1 1 d . . . . .
S00N S 0.26021(19) 0.68125(6) 1.18032(19) 0.0305(7) Uani 1 1 d . . . . .
N00O N 0.2317(6) 0.7059(2) 1.3086(6) 0.033(3) Uani 1 1 d . . . . .
H00O H 0.205262 0.692625 1.323296 0.039 Uiso 1 1 calc DR U . . .
N00Q N 0.2731(7) 0.7477(2) 1.3325(6) 0.031(3) Uani 1 1 d . . . . .
N00R N 0.3104(7) 0.72597(19) 1.2243(6) 0.030(3) Uani 1 1 d . . . . .
H00R H 0.336129 0.725765 1.180843 0.037 Uiso 1 1 calc R U . . .
N00S N 0.1368(7) 0.7477(2) 1.0184(6) 0.032(3) Uani 1 1 d . . . . .
H00S H 0.105500 0.760416 1.027420 0.038 Uiso 1 1 calc R U . . .
N00T N 0.5009(7) 0.72347(19) 1.1573(6) 0.032(3) Uani 1 1 d . . . . .
H00T H 0.463342 0.722878 1.122437 0.039 Uiso 1 1 calc R U . . .
C00U C 0.1569(5) 0.47836(14) 0.4314(5) 0.0344(17) Uani 1 1 d G U . . .
C01L C 0.0787(4) 0.48025(14) 0.4098(5) 0.0356(18) Uani 1 1 d G U . . .
H01L H 0.048769 0.494226 0.425817 0.043 Uiso 1 1 calc R U . . .
C023 C 0.0444(4) 0.46170(16) 0.3648(5) 0.038(2) Uani 1 1 d G U . . .
H023 H -0.008979 0.462996 0.350035 0.046 Uiso 1 1 calc R U . . .
C03M C 0.0883(5) 0.44125(15) 0.3414(5) 0.040(2) Uani 1 1 d G U . . .
H03P H 0.064841 0.428575 0.310614 0.047 Uiso 1 1 calc R U . . .
C01W C 0.1664(5) 0.43936(14) 0.3630(6) 0.040(2) Uani 1 1 d G U . . .
H01W H 0.196408 0.425384 0.346976 0.048 Uiso 1 1 calc R U . . .
C015 C 0.2007(4) 0.45791(16) 0.4080(5) 0.037(2) Uani 1 1 d G U . . .
H015 H 0.254156 0.456614 0.422759 0.044 Uiso 1 1 calc R U . . .
N00V N 0.5796(6) 0.70235(19) 1.2445(6) 0.029(2) Uani 1 1 d . . . . .
C00W C 0.2701(7) 0.7059(2) 1.2439(8) 0.029(2) Uani 1 1 d . U . . .
N00X N 0.5450(7) 0.5862(2) 0.7804(6) 0.031(3) Uani 1 1 d . . . . .
N00Y N 0.5562(7) 0.7261(2) 0.7932(7) 0.041(3) Uani 1 1 d . . . . .
N00Z N 0.1910(8) 0.7281(2) 1.4173(7) 0.041(3) Uani 1 1 d . . . . .
N010 N 0.5090(7) 0.7036(2) 0.8959(6) 0.031(3) Uani 1 1 d . . . . .
N011 N 0.4130(6) 0.57220(18) 0.8056(6) 0.024(2) Uani 1 1 d . . . . .
C012 C 0.2127(8) 0.7476(3) 1.0433(8) 0.031(3) Uani 1 1 d . U . . .
N013 N 0.2582(7) 0.7277(2) 1.0284(7) 0.033(3) Uani 1 1 d . . . . .
H013 H 0.308407 0.728327 1.039409 0.040 Uiso 1 1 calc R U . . .
N014 N 0.4374(7) 0.7254(2) 0.9913(6) 0.031(3) Uani 1 1 d . . . . .
H014 H 0.414330 0.725554 1.036168 0.037 Uiso 1 1 calc R U . . .
C016 C 0.1660(5) 0.49960(16) 0.5855(4) 0.0327(18) Uani 1 1 d G U . . .
C01C C 0.1856(5) 0.51808(14) 0.6385(5) 0.0368(18) Uani 1 1 d G U . . .
H01G H 0.219176 0.531381 0.624204 0.044 Uiso 1 1 calc R U . . .
C02X C 0.1559(5) 0.51710(15) 0.7124(4) 0.0362(19) Uani 1 1 d G U . . .
H02X H 0.169235 0.529729 0.748584 0.043 Uiso 1 1 calc R U . . .
C022 C 0.1067(5) 0.49763(16) 0.7333(4) 0.036(2) Uani 1 1 d G U . . .
H022 H 0.086409 0.496964 0.783752 0.043 Uiso 1 1 calc R U . . .
C02P C 0.0872(5) 0.47915(14) 0.6803(5) 0.038(2) Uani 1 1 d G U . . .
H02P H 0.053524 0.465852 0.694540 0.046 Uiso 1 1 calc R U . . .
C01M C 0.1168(5) 0.48014(14) 0.6064(4) 0.0358(19) Uani 1 1 d G U . . .
H01M H 0.103465 0.467504 0.570159 0.043 Uiso 1 1 calc R U . . .
N017 N 0.6000(6) 0.74619(19) 1.2185(7) 0.032(3) Uani 1 1 d . . . . .
H017 H 0.624817 0.760259 1.228516 0.038 Uiso 1 1 calc R U . . .
N018 N 0.1560(7) 0.7058(2) 0.9701(7) 0.039(3) Uani 1 1 d . . . . .
C019 C 0.2338(8) 0.7271(3) 1.3527(8) 0.036(2) Uani 1 1 d . U . . .
C01A C 0.3138(7) 0.7470(2) 1.2687(8) 0.029(2) Uani 1 1 d . U . . .
N01B N 0.6835(7) 0.72458(19) 1.2980(6) 0.030(2) Uani 1 1 d . . . . .
C01D C 0.5814(5) 0.44570(12) 0.8064(5) 0.0342(18) Uani 1 1 d G U . . .
C027 C 0.5898(6) 0.44197(13) 0.8851(4) 0.0359(18) Uani 1 1 d G U . . .
H027 H 0.604366 0.455527 0.917493 0.043 Uiso 1 1 calc R U . . .
C02U C 0.5770(6) 0.41841(15) 0.9163(3) 0.036(2) Uani 1 1 d G U . . .
H02U H 0.582722 0.415868 0.970020 0.044 Uiso 1 1 calc R U . . .
C02S C 0.5557(6) 0.39858(12) 0.8688(5) 0.036(2) Uani 1 1 d G U . . .
H02S H 0.546932 0.382481 0.890132 0.044 Uiso 1 1 calc R U . . .
C021 C 0.5473(6) 0.40231(13) 0.7901(4) 0.036(2) Uani 1 1 d G U . . .
H021 H 0.532783 0.388754 0.757717 0.043 Uiso 1 1 calc R U . . .
C01R C 0.5602(5) 0.42587(15) 0.7589(3) 0.035(2) Uani 1 1 d G U . . .
H01R H 0.554426 0.428412 0.705188 0.042 Uiso 1 1 calc R U . . .
C01E C 0.5710(5) 0.49839(15) 0.8333(5) 0.0325(18) Uani 1 1 d G U . . .
C01J C 0.6177(4) 0.51717(16) 0.8647(5) 0.0356(19) Uani 1 1 d G U . . .
H01J H 0.670753 0.518579 0.850106 0.043 Uiso 1 1 calc R U . . .
C033 C 0.5866(5) 0.53388(15) 0.9173(5) 0.0391(19) Uani 1 1 d G U . . .
H033 H 0.618452 0.546717 0.938660 0.047 Uiso 1 1 calc R U . . .
C04F C 0.5089(5) 0.53182(15) 0.9385(5) 0.0370(19) Uani 1 1 d G U . . .
H04Q H 0.487677 0.543242 0.974496 0.044 Uiso 1 1 calc R U . . .
C03B C 0.4623(4) 0.51304(16) 0.9072(5) 0.037(2) Uani 1 1 d G U . . .
H03Q H 0.409203 0.511629 0.921778 0.045 Uiso 1 1 calc R U . . .
C01Z C 0.4934(4) 0.49633(14) 0.8546(5) 0.0349(18) Uani 1 1 d G U . . .
H01Z H 0.461503 0.483491 0.833223 0.042 Uiso 1 1 calc R U . . .
C01F C 0.4285(8) 0.5514(2) 0.7660(8) 0.032(2) Uani 1 1 d . U . . .
C01G C 0.6895(8) 0.6933(2) 1.4041(8) 0.031(2) Uani 1 1 d . U . . .
H01A H 0.634221 0.688240 1.397459 0.038 Uiso 1 1 calc R U . . .
H01B H 0.691156 0.707484 1.440520 0.038 Uiso 1 1 calc R U . . .
C01H C 0.5110(5) 0.60278(14) 0.5807(5) 0.036(2) Uani 1 1 d G U . . .
H01H H 0.530707 0.589099 0.551987 0.043 Uiso 1 1 calc R U . . .
C042 C 0.5621(4) 0.61996(17) 0.6138(6) 0.039(2) Uani 1 1 d G U . . .
H042 H 0.616824 0.618025 0.607752 0.047 Uiso 1 1 calc R U . . .
C04V C 0.5332(5) 0.63998(16) 0.6557(6) 0.045(2) Uani 1 1 d G U . . .
H04V H 0.568174 0.651725 0.678364 0.054 Uiso 1 1 calc R U . . .
C05F C 0.4532(5) 0.64282(15) 0.6645(6) 0.043(2) Uani 1 1 d G U . . .
H05N H 0.433407 0.656500 0.693210 0.052 Uiso 1 1 calc R U . . .
C04U C 0.4020(4) 0.62564(17) 0.6314(6) 0.0404(18) Uani 1 1 d G U . . .
H04U H 0.347290 0.627575 0.637446 0.048 Uiso 1 1 calc R U . . .
C026 C 0.4309(4) 0.60562(15) 0.5895(6) 0.0375(18) Uani 1 1 d G U . . .
C01I C 0.4700(8) 0.7044(3) 0.9610(8) 0.033(3) Uani 1 1 d . U . . .
C01K C 0.5553(8) 0.5660(3) 0.7411(8) 0.035(2) Uani 1 1 d . U . . .
C01N C 0.5411(7) 0.7452(2) 1.1691(7) 0.023(2) Uani 1 1 d . U . . .
N01O N 0.4824(7) 0.7473(2) 0.8813(7) 0.037(3) Uani 1 1 d . . . . .
H01O H 0.486947 0.761341 0.855166 0.045 Uiso 1 1 calc R U . . .
N01P N 0.0434(7) 0.7275(2) 0.9471(7) 0.036(3) Uani 1 1 d . . . . .
C01Q C 0.7764(8) 0.7596(3) 1.2680(8) 0.034(2) Uani 1 1 d . U . . .
H01C H 0.751274 0.761266 1.216755 0.041 Uiso 1 1 calc R U . . .
H01D H 0.821630 0.748157 1.263027 0.041 Uiso 1 1 calc R U . . .
N01S N 0.4624(7) 0.6081(2) 0.8612(7) 0.039(3) Uani 1 1 d . . . . .
C01T C 0.7051(5) 0.53318(16) 1.2435(4) 0.036(2) Uani 1 1 d G U . . .
H01T H 0.725467 0.524824 1.287466 0.044 Uiso 1 1 calc R U . . .
C02A C 0.7199(5) 0.52389(14) 1.1705(5) 0.037(2) Uani 1 1 d G U . . .
H02N H 0.750423 0.509185 1.164679 0.044 Uiso 1 1 calc R U . . .
C02J C 0.6901(6) 0.53612(16) 1.1061(4) 0.038(2) Uani 1 1 d G U . . .
H02O H 0.700232 0.529768 1.056267 0.045 Uiso 1 1 calc R U . . .
C03N C 0.6455(5) 0.55763(16) 1.1147(4) 0.040(2) Uani 1 1 d G U . . .
H2 H 0.625085 0.565990 1.070639 0.048 Uiso 1 1 calc R U . . .
C02D C 0.6306(5) 0.56692(14) 1.1876(5) 0.0348(19) Uani 1 1 d G U . . .
H02Q H 0.600128 0.581629 1.193425 0.042 Uiso 1 1 calc R U . . .
C02Y C 0.6605(5) 0.55470(16) 1.2520(4) 0.0340(17) Uani 1 1 d G U . . .
C01U C 0.5154(9) 0.7252(3) 0.8574(9) 0.042(2) Uani 1 1 d . U . . .
C01V C 0.3246(6) 0.59152(13) 0.3809(6) 0.0438(19) Uani 1 1 d G U . . .
H01V H 0.334774 0.574103 0.376600 0.053 Uiso 1 1 calc R U . . .
C03X C 0.2989(6) 0.60496(18) 0.3171(5) 0.049(2) Uani 1 1 d G U . . .
H03X H 0.291595 0.596737 0.269208 0.058 Uiso 1 1 calc R U . . .
C040 C 0.2840(6) 0.63044(18) 0.3234(5) 0.050(2) Uani 1 1 d G U . . .
H040 H 0.266507 0.639626 0.279813 0.060 Uiso 1 1 calc R U . . .
C04S C 0.2948(6) 0.64247(13) 0.3935(6) 0.049(2) Uani 1 1 d G U . . .
H04S H 0.284597 0.659880 0.397809 0.059 Uiso 1 1 calc R U . . .
C050 C 0.3204(6) 0.62902(17) 0.4573(5) 0.0450(19) Uani 1 1 d G U . . .
H050 H 0.327776 0.637247 0.505202 0.054 Uiso 1 1 calc R U . . .
C025 C 0.3353(6) 0.60355(17) 0.4510(5) 0.0423(18) Uani 1 1 d G U . . .
C01X C 0.7197(8) 0.7018(2) 1.3287(8) 0.032(2) Uani 1 1 d . U . . .
H01E H 0.776580 0.704729 1.334014 0.038 Uiso 1 1 calc R U . . .
H01F H 0.712049 0.688193 1.290820 0.038 Uiso 1 1 calc R U . . .
C01Y C 0.7486(5) 0.49897(15) 0.7459(5) 0.038(2) Uani 1 1 d G U . . .
H01Y H 0.718648 0.511200 0.719085 0.046 Uiso 1 1 calc R U . . .
C02K C 0.7124(4) 0.47771(17) 0.7747(6) 0.0372(18) Uani 1 1 d G U . . .
C034 C 0.7562(5) 0.45981(15) 0.8139(6) 0.041(2) Uani 1 1 d G U . . .
H034 H 0.731478 0.445288 0.833611 0.050 Uiso 1 1 calc R U . . .
C043 C 0.8361(5) 0.46317(17) 0.8244(6) 0.046(2) Uani 1 1 d G U . . .
H043 H 0.865962 0.450935 0.851239 0.055 Uiso 1 1 calc R U . . .
C04X C 0.8722(4) 0.48442(19) 0.7956(6) 0.047(2) Uani 1 1 d G U . . .
H04X H 0.926789 0.486714 0.802791 0.056 Uiso 1 1 calc R U . . .
C03R C 0.8284(5) 0.50232(15) 0.7564(6) 0.044(2) Uani 1 1 d G U . . .
H03R H 0.853134 0.516846 0.736714 0.053 Uiso 1 1 calc R U . . .
C020 C 0.5190(7) 0.7025(2) 1.1995(8) 0.027(2) Uani 1 1 d . U . . .
C028 C 0.1364(4) 0.58841(19) 0.5975(5) 0.040(2) Uani 1 1 d G U . . .
H028 H 0.087006 0.590523 0.572854 0.047 Uiso 1 1 calc R U . . .
C03Q C 0.1409(4) 0.58566(19) 0.6767(5) 0.040(2) Uani 1 1 d G U . . .
H03S H 0.094717 0.585897 0.706343 0.047 Uiso 1 1 calc R U . . .
C04A C 0.2132(5) 0.58258(18) 0.7127(4) 0.0406(19) Uani 1 1 d G U . . .
H04R H 0.216290 0.580697 0.766936 0.049 Uiso 1 1 calc R U . . .
C039 C 0.2808(4) 0.58224(18) 0.6694(5) 0.0372(19) Uani 1 1 d G U . . .
H039 H 0.330153 0.580125 0.694040 0.045 Uiso 1 1 calc R U . . .
C038 C 0.2762(4) 0.58498(19) 0.5901(5) 0.0382(17) Uani 1 1 d G U . . .
C03J C 0.2040(5) 0.58807(19) 0.5542(4) 0.0402(16) Uani 1 1 d G U . . .
H03T H 0.200870 0.589950 0.499957 0.048 Uiso 1 1 calc R U . . .
C02C C 0.4435(8) 0.7461(3) 0.9464(8) 0.032(3) Uani 1 1 d . U . . .
C02E C 0.2272(8) 0.7066(3) 0.9965(8) 0.034(3) Uani 1 1 d . U . . .
C02F C 0.1507(5) 0.56308(17) 0.3543(5) 0.043(2) Uani 1 1 d G U . . .
H02I H 0.172393 0.571235 0.311081 0.051 Uiso 1 1 calc R U . . .
C02B C 0.0793(5) 0.57088(16) 0.3829(5) 0.043(2) Uani 1 1 d G U . . .
H02J H 0.052179 0.584374 0.359152 0.052 Uiso 1 1 calc R U . . .
C02Z C 0.0476(4) 0.55895(17) 0.4462(5) 0.039(2) Uani 1 1 d G U . . .
H02Z H -0.001226 0.564279 0.465728 0.047 Uiso 1 1 calc R U . . .
C02H C 0.0873(5) 0.53920(17) 0.4810(5) 0.0370(17) Uani 1 1 d G U . . .
H02K H 0.065584 0.531045 0.524234 0.044 Uiso 1 1 calc R U . . .
C029 C 0.1587(5) 0.53140(15) 0.4524(5) 0.0363(17) Uani 1 1 d G U . . .
C024 C 0.1904(4) 0.54333(17) 0.3891(5) 0.0411(19) Uani 1 1 d G U . . .
H024 H 0.239204 0.538000 0.369588 0.049 Uiso 1 1 calc R U . . .
C02G C 0.7188(8) 0.7486(2) 1.3238(8) 0.031(2) Uani 1 1 d . U . . .
H02A H 0.745675 0.745864 1.373767 0.037 Uiso 1 1 calc R U . . .
H02B H 0.676485 0.760894 1.332166 0.037 Uiso 1 1 calc R U . . .
C02I C 0.5395(8) 0.6039(2) 1.3892(8) 0.032(2) Uani 1 1 d . U . . .
H02R H 0.514815 0.591801 1.420716 0.038 Uiso 1 1 calc R U . . .
C02L C 0.5151(8) 0.6284(2) 1.3884(8) 0.035(2) Uani 1 1 d . U . . .
H02T H 0.473388 0.633114 1.420825 0.042 Uiso 1 1 calc R U . . .
C02M C 0.6205(8) 0.7242(2) 1.2534(8) 0.029(2) Uani 1 1 d . U . . .
C02N C 0.7415(9) 0.5761(3) 1.3848(9) 0.0389(18) Uani 1 1 d . U . . .
C02O C 0.6077(8) 0.6401(2) 1.2972(8) 0.0330(19) Uani 1 1 d . U . . .
H02V H 0.630438 0.652474 1.265198 0.040 Uiso 1 1 calc R U . . .
C02Q C 0.8050(9) 0.7856(3) 1.2962(9) 0.042(3) Uani 1 1 d . U . . .
H02C H 0.758901 0.796291 1.305608 0.050 Uiso 1 1 calc R U . . .
H02D H 0.833093 0.783448 1.345798 0.050 Uiso 1 1 calc R U . . .
C02R C 0.7355(8) 0.6711(3) 1.4397(8) 0.036(2) Uani 1 1 d . U . . .
H02E H 0.739973 0.657588 1.401140 0.044 Uiso 1 1 calc R U . . .
H02F H 0.788859 0.676716 1.453622 0.044 Uiso 1 1 calc R U . . .
C02T C 0.1793(9) 0.7522(3) 1.4572(9) 0.043(2) Uani 1 1 d . U . . .
H02G H 0.130767 0.751182 1.487318 0.052 Uiso 1 1 calc R U . . .
H02H H 0.172013 0.765508 1.418250 0.052 Uiso 1 1 calc R U . . .
C02V C 0.6012(8) 0.5973(3) 1.3425(8) 0.0339(17) Uani 1 1 d . U . . .
C02W C 0.3851(8) 0.6126(3) 0.8950(9) 0.039(2) Uani 1 1 d . U . . .
H02L H 0.392294 0.621917 0.943696 0.046 Uiso 1 1 calc R U . . .
H02M H 0.361123 0.596282 0.907453 0.046 Uiso 1 1 calc R U . . .
C030 C 0.5867(10) 0.7028(3) 0.7603(10) 0.049(2) Uani 1 1 d . U . . .
H03A H 0.591480 0.704884 0.704105 0.059 Uiso 1 1 calc R U . . .
H03B H 0.548672 0.689184 0.769429 0.059 Uiso 1 1 calc R U . . .
C031 C 0.4723(9) 0.5882(3) 0.8161(8) 0.036(2) Uani 1 1 d . U . . .
C032 C 0.1884(9) 0.6964(3) 1.5212(9) 0.045(2) Uani 1 1 d . U . . .
H03C H 0.244421 0.693953 1.509781 0.054 Uiso 1 1 calc R U . . .
H03D H 0.184892 0.709048 1.562442 0.054 Uiso 1 1 calc R U . . .
C035 C 0.5748(10) 0.7498(3) 0.7564(10) 0.050(2) Uani 1 1 d . U . . .
H03E H 0.627103 0.748808 0.733093 0.060 Uiso 1 1 calc R U . . .
H03F H 0.575691 0.763345 0.795198 0.060 Uiso 1 1 calc R U . . .
C037 C 0.1871(10) 0.6416(3) 0.8307(10) 0.052(4) Uani 1 1 d . U . . .
H03U H 0.183984 0.634960 0.778300 0.078 Uiso 1 1 calc R U . . .
H03V H 0.203903 0.659122 0.829141 0.078 Uiso 1 1 calc R U . . .
H03W H 0.135717 0.640518 0.854546 0.078 Uiso 1 1 calc R U . . .
C03A C 0.1471(9) 0.7065(3) 1.4492(8) 0.045(2) Uani 1 1 d . U . . .
H03G H 0.143223 0.693084 1.410066 0.054 Uiso 1 1 calc DR U . . .
H03H H 0.093565 0.711828 1.462187 0.054 Uiso 1 1 calc R U . . .
C03C C 0.6358(8) 0.6160(3) 1.2964(8) 0.0343(17) Uani 1 1 d . U . . .
H3 H 0.678633 0.611824 1.264723 0.041 Uiso 1 1 calc R U . . .
C03G C 0.5230(9) 0.6262(3) 0.8753(9) 0.042(2) Uani 1 1 d . U . . .
H03Z H 0.499502 0.643037 0.879095 0.051 Uiso 1 1 calc R U . . .
H H 0.559303 0.626236 0.831465 0.051 Uiso 1 1 calc R U . . .
C03H C 0.7454(9) 0.5844(3) 1.4576(10) 0.045(2) Uani 1 1 d . U . . .
H4 H 0.702823 0.581960 1.491350 0.054 Uiso 1 1 calc R U . . .
C03L C 0.1129(9) 0.7276(3) 0.9799(9) 0.041(2) Uani 1 1 d . U . . .
C03P C 0.2470(9) 0.6261(3) 0.8783(9) 0.041(3) Uani 1 1 d . U . . .
H03 H 0.249011 0.632636 0.931504 0.050 Uiso 1 1 calc R U . . .
HA H 0.229244 0.608488 0.880525 0.050 Uiso 1 1 calc R U . . .
C03S C 0.5685(9) 0.6205(3) 0.9489(9) 0.045(2) Uani 1 1 d . U . . .
H1 H 0.531783 0.620968 0.992391 0.054 Uiso 1 1 calc R U . . .
HB H 0.589001 0.603187 0.945566 0.054 Uiso 1 1 calc R U . . .
C03U C 0.6957(9) 0.6608(3) 1.5111(9) 0.044(3) Uani 1 1 d . U . . .
H03I H 0.640040 0.658332 1.500131 0.066 Uiso 1 1 calc R U . . .
H03J H 0.702042 0.672755 1.553449 0.066 Uiso 1 1 calc R U . . .
H03K H 0.719638 0.644821 1.525462 0.066 Uiso 1 1 calc R U . . .
C03Y C 0.2201(11) 0.7849(4) 1.5495(11) 0.057(3) Uani 1 1 d . U . . .
H03Y H 0.172007 0.792604 1.535194 0.068 Uiso 0.5 1 calc R U P A 2
H03L H 0.169199 0.782614 1.574921 0.068 Uiso 0.5 1 calc R U P B 1
H03M H 0.214139 0.798132 1.509937 0.068 Uiso 0.5 1 calc R U P B 1
C03Z C -0.0683(9) 0.7900(3) 0.9221(10) 0.046(3) Uani 1 1 d . U . . .
H03N H -0.072262 0.801299 0.877045 0.055 Uiso 1 1 calc R U . . .
H03O H -0.120330 0.782423 0.929851 0.055 Uiso 1 1 calc R U . . .
C041 C 0.8151(9) 0.5969(3) 1.4834(10) 0.048(2) Uani 1 1 d . U . . .
H041 H 0.818745 0.603611 1.533756 0.057 Uiso 1 1 calc R U . . .
C044 C 0.8717(9) 0.5896(3) 1.3619(10) 0.046(2) Uani 1 1 d . U . . .
H044 H 0.913903 0.591247 1.327375 0.056 Uiso 1 1 calc R U . . .
C0 C 0.665(3) 0.6384(8) 1.036(3) 0.052(6) Uani 0.5 1 d . U P C 2
H0A H 0.626790 0.645783 1.071159 0.078 Uiso 0.5 1 calc R U P C 2
H0B H 0.712476 0.648653 1.036602 0.078 Uiso 0.5 1 calc R U P C 2
H0C H 0.677646 0.621417 1.053043 0.078 Uiso 0.5 1 calc R U P C 2
C046 C 0.1561(10) 0.6724(3) 1.5497(10) 0.050(3) Uani 1 1 d . U . . .
H04A H 0.099087 0.674709 1.554898 0.060 Uiso 1 1 calc R U . . .
H04B H 0.163955 0.659749 1.509123 0.060 Uiso 1 1 calc R U . . .
C047 C 0.5486(8) 0.6462(3) 1.3427(8) 0.034(2) Uani 1 1 d . U . . .
H047 H 0.529733 0.662909 1.343557 0.041 Uiso 1 1 calc R U . . .
C048 C 0.3296(9) 0.6270(3) 0.8441(9) 0.041(2) Uani 1 1 d . U . . .
H04T H 0.328747 0.619628 0.791929 0.049 Uiso 1 1 calc R U . . .
H04W H 0.347118 0.644607 0.839926 0.049 Uiso 1 1 calc R U . . .
C04B C -0.0082(9) 0.7689(3) 0.9048(10) 0.045(2) Uani 1 1 d . U . . .
H04C H -0.018798 0.761913 0.853074 0.054 Uiso 1 1 calc R U . . .
H04D H 0.045215 0.775991 0.905199 0.054 Uiso 1 1 calc R U . . .
C04C C 0.0132(10) 0.7063(3) 0.9034(10) 0.052(3) Uani 1 1 d . U . . .
H04E H 0.056910 0.697939 0.877089 0.063 Uiso 1 1 calc R U . . .
H04F H -0.023706 0.712494 0.863448 0.063 Uiso 1 1 calc R U . . .
C04D C 0.2469(10) 0.7598(3) 1.5116(10) 0.048(2) Uani 1 1 d . U . . .
H04G H 0.295586 0.762317 1.482505 0.058 Uiso 1 1 calc R U . . .
H04H H 0.256033 0.746817 1.551101 0.058 Uiso 1 1 calc R U . . .
C04L C -0.0133(9) 0.7484(3) 0.9638(10) 0.048(2) Uani 1 1 d . U . . .
H04I H -0.067100 0.741658 0.964055 0.057 Uiso 1 1 calc R U . . .
H04J H -0.001799 0.755428 1.015296 0.057 Uiso 1 1 calc R U . . .
C04M C -0.0465(11) 0.8052(3) 0.9917(10) 0.054(4) Uani 1 1 d . U . . .
H04K H -0.078281 0.820405 0.992956 0.082 Uiso 1 1 calc R U . . .
H04L H 0.008830 0.809679 0.989524 0.082 Uiso 1 1 calc R U . . .
H04M H -0.055951 0.795267 1.038046 0.082 Uiso 1 1 calc R U . . .
C04P C 0.8800(10) 0.5990(3) 1.4308(10) 0.049(2) Uani 1 1 d . U . . .
H04Y H 0.927302 0.606908 1.446194 0.059 Uiso 1 1 calc R U . . .
C04T C 0.8556(9) 0.7982(3) 1.2431(11) 0.053(4) Uani 1 1 d . U . . .
H04N H 0.833311 0.797102 1.191132 0.079 Uiso 1 1 calc R U . . .
H04O H 0.907164 0.790207 1.244150 0.079 Uiso 1 1 calc R U . . .
H04P H 0.860880 0.815794 1.257921 0.079 Uiso 1 1 calc R U . . .
C051 C 0.1854(11) 0.6618(4) 1.6216(11) 0.062(4) Uani 1 1 d . U . . .
H05A H 0.242334 0.660393 1.619644 0.092 Uiso 1 1 calc R U . . .
H05B H 0.162468 0.645228 1.629088 0.092 Uiso 1 1 calc R U . . .
H05C H 0.170925 0.672763 1.664308 0.092 Uiso 1 1 calc R U . . .
C056 C 0.8051(8) 0.5775(3) 1.3363(9) 0.0408(19) Uani 1 1 d . U . . .
H056 H 0.802823 0.570293 1.286515 0.049 Uiso 1 1 calc R U . . .
C057 C 0.5129(10) 0.7558(3) 0.6935(10) 0.053(3) Uani 1 1 d . U . . .
H05D H 0.514603 0.742882 0.652872 0.064 Uiso 1 1 calc R U . . .
H05E H 0.460199 0.755598 0.716163 0.064 Uiso 1 1 calc R U . . .
C05A C 0.6355(10) 0.6378(3) 0.9668(10) 0.049(3) Uani 1 1 d . U . . .
H05Q H 0.656326 0.648156 0.927772 0.059 Uiso 0.5 1 calc R U P C 2
H05O H 0.618027 0.655413 0.964349 0.059 Uiso 0.5 1 calc R U P C 1
H05P H 0.677815 0.635385 0.929244 0.059 Uiso 0.5 1 calc R U P C 1
C05C C 0.5285(12) 0.7815(4) 0.6584(11) 0.059(3) Uani 1 1 d . U . . .
H05H H 0.503862 0.782713 0.606818 0.071 Uiso 0.5 1 calc R U P D 2
H05I H 0.585356 0.784274 0.653296 0.071 Uiso 0.5 1 calc R U P D 2
H05F H 0.490737 0.784208 0.615732 0.071 Uiso 0.5 1 calc R U P E 1
H05G H 0.581411 0.781373 0.636111 0.071 Uiso 0.5 1 calc R U P E 1
C05H C 0.6972(9) 0.6705(3) 0.7597(11) 0.058(3) Uani 1 1 d D U . . .
H05J H 0.698383 0.672226 0.703145 0.070 Uiso 0.6(2) 1 calc R U P F 1
H05K H 0.660058 0.656895 0.771956 0.070 Uiso 0.6(2) 1 calc R U P F 1
C05I C 0.6676(10) 0.6948(3) 0.7943(11) 0.056(3) Uani 1 1 d D U . . .
H05L H 0.706010 0.708285 0.784676 0.067 Uiso 0.5 1 calc R U P G 2
H05M H 0.663160 0.692817 0.850624 0.067 Uiso 0.5 1 calc R U P G 2
CB C 0.493(3) 0.8012(10) 0.713(3) 0.057(6) Uani 0.5 1 d . U P H 2
HBA H 0.436600 0.802441 0.703577 0.085 Uiso 0.5 1 calc R U P H 2
HBB H 0.517291 0.817532 0.703994 0.085 Uiso 0.5 1 calc R U P H 2
HBC H 0.502531 0.796168 0.766544 0.085 Uiso 0.5 1 calc R U P H 2
C4B C 0.264(3) 0.7946(9) 1.600(3) 0.058(6) Uani 0.5 1 d . U P I 2
H4BA H 0.298293 0.781694 1.622038 0.087 Uiso 0.5 1 calc R U P I 2
H4BB H 0.232931 0.802189 1.640115 0.087 Uiso 0.5 1 calc R U P I 2
H4BC H 0.296721 0.807563 1.575776 0.087 Uiso 0.5 1 calc R U P I 2
C1 C -0.0285(11) 0.6874(4) 0.9538(11) 0.061(3) Uani 1 1 d . U . . .
H1A H 0.007061 0.682923 0.996908 0.073 Uiso 1 1 calc R U . . .
H1B H -0.074607 0.695673 0.976089 0.073 Uiso 1 1 calc R U . . .
N5 N 0.5018(6) 0.54777(18) 0.7414(6) 0.027(2) Uani 1 1 d . . . . .
H5 H 0.514989 0.532831 0.724765 0.032 Uiso 1 1 calc R U . . .
C7B C 0.7782(18) 0.6682(10) 0.818(2) 0.075(7) Uani 0.5 1 d D U P J 2
H7BA H 0.776287 0.652465 0.846914 0.113 Uiso 0.5 1 calc R U P J 2
H7BB H 0.779279 0.682301 0.854039 0.113 Uiso 0.5 1 calc R U P J 2
H7BC H 0.825257 0.668517 0.786681 0.113 Uiso 0.5 1 calc R U P J 2
C3 C -0.0554(12) 0.6635(4) 0.9165(12) 0.068(3) Uani 1 1 d . U . . .
H3BC H -0.087619 0.668637 0.871562 0.082 Uiso 0.5 1 calc R U P K 2
H3BD H -0.007957 0.655597 0.895520 0.082 Uiso 0.5 1 calc R U P K 2
H3AA H -0.010862 0.653037 0.900376 0.082 Uiso 0.5 1 calc R U P L 1
H3AB H -0.090006 0.666804 0.871646 0.082 Uiso 0.5 1 calc R U P L 1
C6B C -0.099(3) 0.6432(9) 0.955(3) 0.073(7) Uani 0.5 1 d . U P M 2
H6BA H -0.083201 0.642084 1.008775 0.109 Uiso 0.5 1 calc R U P M 2
H6BB H -0.088700 0.627221 0.929122 0.109 Uiso 0.5 1 calc R U P M 2
H6BC H -0.155506 0.646743 0.951518 0.109 Uiso 0.5 1 calc R U P M 2
C6A C -0.104(3) 0.6505(10) 0.989(3) 0.080(10) Uani 0.5 1 d . U P M 1
H6AA H -0.077507 0.635118 1.005180 0.120 Uiso 0.5 1 calc R U P M 1
H6AB H -0.157375 0.646612 0.972168 0.120 Uiso 0.5 1 calc R U P M 1
H6AC H -0.105525 0.662248 1.032279 0.120 Uiso 0.5 1 calc R U P M 1
CA C 0.523(2) 0.8040(10) 0.715(3) 0.064(9) Uani 0.5 1 d . U P H 1
HAA H 0.477000 0.814120 0.701488 0.097 Uiso 0.5 1 calc R U P H 1
HAB H 0.570054 0.814303 0.710783 0.097 Uiso 0.5 1 calc R U P H 1
HAC H 0.518250 0.797765 0.767382 0.097 Uiso 0.5 1 calc R U P H 1
C7A C 0.7881(17) 0.6622(8) 0.792(3) 0.084(11) Uani 0.5 1 d D U P J 1
C2 C 0.666(3) 0.6311(9) 1.052(3) 0.059(9) Uani 0.5 1 d . U P C 1
H2A H 0.624745 0.634150 1.089332 0.088 Uiso 0.5 1 calc R U P C 1
H2B H 0.711624 0.641575 1.065379 0.088 Uiso 0.5 1 calc R U P C 1
H2C H 0.681741 0.613409 1.054646 0.088 Uiso 0.5 1 calc R U P C 1
C4A C 0.291(3) 0.7935(10) 1.617(3) 0.065(9) Uani 0.5 1 d . U P I 1
H4AA H 0.290732 0.781767 1.660018 0.098 Uiso 0.5 1 calc R U P I 1
H4AB H 0.280823 0.810449 1.635394 0.098 Uiso 0.5 1 calc R U P I 1
H4AC H 0.342864 0.793087 1.592742 0.098 Uiso 0.5 1 calc R U P I 1


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au01 Au02 2.8889(8) . ?
Au01 Au03 2.8366(9) 3_666 ?
Au01 Au04 3.0636(9) . ?
Au01 Au05 2.8097(8) 3_666 ?
Au01 Au06 2.9516(11) . ?
Au01 Pd07 2.7204(7) . ?
Au01 S00A 2.411(3) . ?
Au02 Au03 2.8641(10) . ?
Au02 Au04 2.8962(8) . ?
Au02 Au05 2.9242(10) 3_666 ?
Au02 Au06 3.0131(8) 3_666 ?
Au02 Pd07 2.7728(8) . ?
Au02 P00B 2.319(3) . ?
Au03 Au04 2.8418(8) . ?
Au03 Au05 2.9902(9) . ?
Au03 Au06 2.9703(11) 3_666 ?
Au03 Pd07 2.7663(7) . ?
Au03 P00H 2.306(3) 3_667 ?
Au04 Au05 2.8480(11) . ?
Au04 Au06 2.8648(8) . ?
Au04 Pd07 2.7557(9) . ?
Au04 S00C 2.389(3) . ?
Au05 Au06 2.8590(8) . ?
Au05 Pd07 2.7788(7) . ?
Au05 P00K 2.294(3) . ?
Au06 Pd07 2.7951(7) . ?
Au06 P00M 2.340(3) . ?
Pd08 S00D 2.357(3) . ?
Pd08 S00E 2.323(3) . ?
Pd08 S00G 2.327(3) . ?
Pd08 S00J 2.346(3) . ?
Pd09 S00F 2.314(4) . ?
Pd09 S00I 2.302(4) . ?
Pd09 S00L 2.333(4) . ?
Pd09 S00N 2.355(3) . ?
S00A C01K 1.734(14) . ?
P00B C01D 1.833(6) . ?
P00B C01E 1.841(7) . ?
P00B C02K 1.818(7) . ?
S00C C01F 1.710(14) . ?
S00D C01A 1.715(14) . ?
S00E C012 1.711(14) . ?
S00F C020 1.713(13) . ?
S00G C02C 1.755(14) . ?
P00H C02Y 1.852(7) . ?
P00H C02N 1.844(15) . ?
P00H C02V 1.811(14) . ?
S00I C01I 1.742(14) . ?
S00J C01N 1.728(12) . ?
P00K C00U 1.835(7) . ?
P00K C016 1.813(7) . ?
P00K C029 1.829(7) . ?
S00L C02E 1.738(14) . ?
P00M C026 1.843(7) . ?
P00M C025 1.831(8) . ?
P00M C038 1.828(7) . ?
S00N C00W 1.726(14) . ?
N00O H00O 0.8800 . ?
N00O C00W 1.313(16) . ?
N00O C019 1.368(18) . ?
N00Q C019 1.342(18) . ?
N00Q C01A 1.318(17) . ?
N00R H00R 0.8800 . ?
N00R C00W 1.325(17) . ?
N00R C01A 1.366(17) . ?
N00S H00S 0.8800 . ?
N00S C012 1.365(18) . ?
N00S C03L 1.329(19) . ?
N00T H00T 0.8800 . ?
N00T C01N 1.365(16) . ?
N00T C020 1.374(16) . ?
C00U C01L 1.3900 . ?
C00U C015 1.3900 . ?
C01L H01L 0.9500 . ?
C01L C023 1.3900 . ?
C023 H023 0.9500 . ?
C023 C03M 1.3900 . ?
C03M H03P 0.9500 . ?
C03M C01W 1.3900 . ?
C01W H01W 0.9500 . ?
C01W C015 1.3900 . ?
C015 H015 0.9500 . ?
N00V C020 1.292(17) . ?
N00V C02M 1.368(17) . ?
N00X C01K 1.292(18) . ?
N00X C031 1.402(18) . ?
N00Y C01U 1.326(19) . ?
N00Y C030 1.47(2) . ?
N00Y C035 1.46(2) . ?
N00Z C019 1.350(18) . ?
N00Z C02T 1.480(19) . ?
N00Z C03A 1.489(18) . ?
N010 C01I 1.324(17) . ?
N010 C01U 1.339(19) . ?
N011 C01F 1.338(17) . ?
N011 C031 1.340(18) . ?
C012 N013 1.345(17) . ?
N013 H013 0.8800 . ?
N013 C02E 1.364(18) . ?
N014 H014 0.8800 . ?
N014 C01I 1.364(18) . ?
N014 C02C 1.359(17) . ?
C016 C01C 1.3900 . ?
C016 C01M 1.3900 . ?
C01C H01G 0.9500 . ?
C01C C02X 1.3900 . ?
C02X H02X 0.9500 . ?
C02X C022 1.3900 . ?
C022 H022 0.9500 . ?
C022 C02P 1.3900 . ?
C02P H02P 0.9500 . ?
C02P C01M 1.3900 . ?
C01M H01M 0.9500 . ?
N017 H017 0.8800 . ?
N017 C01N 1.319(17) . ?
N017 C02M 1.368(16) . ?
N018 C02E 1.298(19) . ?
N018 C03L 1.392(19) . ?
N01B C01X 1.464(16) . ?
N01B C02G 1.487(16) . ?
N01B C02M 1.323(17) . ?
C01D C027 1.3900 . ?
C01D C01R 1.3900 . ?
C027 H027 0.9500 . ?
C027 C02U 1.3900 . ?
C02U H02U 0.9500 . ?
C02U C02S 1.3900 . ?
C02S H02S 0.9500 . ?
C02S C021 1.3900 . ?
C021 H021 0.9500 . ?
C021 C01R 1.3900 . ?
C01R H01R 0.9500 . ?
C01E C01J 1.3900 . ?
C01E C01Z 1.3900 . ?
C01J H01J 0.9500 . ?
C01J C033 1.3900 . ?
C033 H033 0.9500 . ?
C033 C04F 1.3900 . ?
C04F H04Q 0.9500 . ?
C04F C03B 1.3900 . ?
C03B H03Q 0.9500 . ?
C03B C01Z 1.3900 . ?
C01Z H01Z 0.9500 . ?
C01F N5 1.345(17) . ?
C01G H01A 0.9900 . ?
C01G H01B 0.9900 . ?
C01G C01X 1.490(19) . ?
C01G C02R 1.548(18) . ?
C01H H01H 0.9500 . ?
C01H C042 1.3900 . ?
C01H C026 1.3900 . ?
C042 H042 0.9500 . ?
C042 C04V 1.3900 . ?
C04V H04V 0.9500 . ?
C04V C05F 1.3900 . ?
C05F H05N 0.9500 . ?
C05F C04U 1.3900 . ?
C04U H04U 0.9500 . ?
C04U C026 1.3900 . ?
C01K N5 1.338(17) . ?
N01O H01O 0.8800 . ?
N01O C01U 1.380(19) . ?
N01O C02C 1.323(17) . ?
N01P C03L 1.314(19) . ?
N01P C04C 1.46(2) . ?
N01P C04L 1.51(2) . ?
C01Q H01C 0.9900 . ?
C01Q H01D 0.9900 . ?
C01Q C02G 1.512(19) . ?
C01Q C02Q 1.552(19) . ?
N01S C02W 1.476(18) . ?
N01S C031 1.332(18) . ?
N01S C03G 1.436(19) . ?
C01T H01T 0.9500 . ?
C01T C02A 1.3900 . ?
C01T C02Y 1.3900 . ?
C02A H02N 0.9500 . ?
C02A C02J 1.3900 . ?
C02J H02O 0.9500 . ?
C02J C03N 1.3900 . ?
C03N H2 0.9500 . ?
C03N C02D 1.3900 . ?
C02D H02Q 0.9500 . ?
C02D C02Y 1.3900 . ?
C01V H01V 0.9500 . ?
C01V C03X 1.3900 . ?
C01V C025 1.3900 . ?
C03X H03X 0.9500 . ?
C03X C040 1.3900 . ?
C040 H040 0.9500 . ?
C040 C04S 1.3900 . ?
C04S H04S 0.9500 . ?
C04S C050 1.3900 . ?
C050 H050 0.9500 . ?
C050 C025 1.3900 . ?
C01X H01E 0.9900 . ?
C01X H01F 0.9900 . ?
C01Y H01Y 0.9500 . ?
C01Y C02K 1.3900 . ?
C01Y C03R 1.3900 . ?
C02K C034 1.3900 . ?
C034 H034 0.9500 . ?
C034 C043 1.3900 . ?
C043 H043 0.9500 . ?
C043 C04X 1.3900 . ?
C04X H04X 0.9500 . ?
C04X C03R 1.3900 . ?
C03R H03R 0.9500 . ?
C028 H028 0.9500 . ?
C028 C03Q 1.3900 . ?
C028 C03J 1.3900 . ?
C03Q H03S 0.9500 . ?
C03Q C04A 1.3900 . ?
C04A H04R 0.9500 . ?
C04A C039 1.3900 . ?
C039 H039 0.9500 . ?
C039 C038 1.3900 . ?
C038 C03J 1.3900 . ?
C03J H03T 0.9500 . ?
C02F H02I 0.9500 . ?
C02F C02B 1.3900 . ?
C02F C024 1.3900 . ?
C02B H02J 0.9500 . ?
C02B C02Z 1.3900 . ?
C02Z H02Z 0.9500 . ?
C02Z C02H 1.3900 . ?
C02H H02K 0.9500 . ?
C02H C029 1.3900 . ?
C029 C024 1.3900 . ?
C024 H024 0.9500 . ?
C02G H02A 0.9900 . ?
C02G H02B 0.9900 . ?
C02I H02R 0.9500 . ?
C02I C02L 1.373(19) . ?
C02I C02V 1.39(2) . ?
C02L H02T 0.9500 . ?
C02L C047 1.373(19) . ?
C02N C03H 1.34(2) . ?
C02N C056 1.39(2) . ?
C02O H02V 0.9500 . ?
C02O C03C 1.378(19) . ?
C02O C047 1.33(2) . ?
C02Q H02C 0.9900 . ?
C02Q H02D 0.9900 . ?
C02Q C04T 1.44(2) . ?
C02R H02E 0.9900 . ?
C02R H02F 0.9900 . ?
C02R C03U 1.53(2) . ?
C02T H02G 0.9900 . ?
C02T H02H 0.9900 . ?
C02T C04D 1.54(2) . ?
C02V C03C 1.415(19) . ?
C02W H02L 0.9900 . ?
C02W H02M 0.9900 . ?
C02W C048 1.50(2) . ?
C030 H03A 0.9900 . ?
C030 H03B 0.9900 . ?
C030 C05I 1.56(2) . ?
C032 H03C 0.9900 . ?
C032 H03D 0.9900 . ?
C032 C03A 1.53(2) . ?
C032 C046 1.48(2) . ?
C035 H03E 0.9900 . ?
C035 H03F 0.9900 . ?
C035 C057 1.55(2) . ?
C037 H03U 0.9800 . ?
C037 H03V 0.9800 . ?
C037 H03W 0.9800 . ?
C037 C03P 1.55(2) . ?
C03A H03G 0.9900 . ?
C03A H03H 0.9900 . ?
C03C H3 0.9500 . ?
C03G H03Z 0.9900 . ?
C03G H 0.9900 . ?
C03G C03S 1.52(2) . ?
C03H H4 0.9500 . ?
C03H C041 1.44(2) . ?
C03P H03 0.9900 . ?
C03P HA 0.9900 . ?
C03P C048 1.54(2) . ?
C03S H1 0.9900 . ?
C03S HB 0.9900 . ?
C03S C05A 1.50(2) . ?
C03U H03I 0.9800 . ?
C03U H03J 0.9800 . ?
C03U H03K 0.9800 . ?
C03Y H03Y 0.9500 . ?
C03Y H03L 0.9900 . ?
C03Y H03M 0.9900 . ?
C03Y C04D 1.57(2) . ?
C03Y C4B 1.26(5) . ?
C03Y C4A 1.75(4) . ?
C03Z H03N 0.9900 . ?
C03Z H03O 0.9900 . ?
C03Z C04B 1.56(2) . ?
C03Z C04M 1.50(2) . ?
C041 H041 0.9500 . ?
C041 C04P 1.45(2) . ?
C044 H044 0.9500 . ?
C044 C04P 1.31(2) . ?
C044 C056 1.38(2) . ?
C0 H0A 0.9800 . ?
C0 H0B 0.9800 . ?
C0 H0C 0.9800 . ?
C0 C05A 1.30(5) . ?
C046 H04A 0.9900 . ?
C046 H04B 0.9900 . ?
C046 C051 1.46(2) . ?
C047 H047 0.9500 . ?
C048 H04T 0.9900 . ?
C048 H04W 0.9900 . ?
C04B H04C 0.9900 . ?
C04B H04D 0.9900 . ?
C04B C04L 1.50(2) . ?
C04C H04E 0.9900 . ?
C04C H04F 0.9900 . ?
C04C C1 1.52(2) . ?
C04D H04G 0.9900 . ?
C04D H04H 0.9900 . ?
C04L H04I 0.9900 . ?
C04L H04J 0.9900 . ?
C04M H04K 0.9800 . ?
C04M H04L 0.9800 . ?
C04M H04M 0.9800 . ?
C04P H04Y 0.9500 . ?
C04T H04N 0.9800 . ?
C04T H04O 0.9800 . ?
C04T H04P 0.9800 . ?
C051 H05A 0.9800 . ?
C051 H05B 0.9800 . ?
C051 H05C 0.9800 . ?
C056 H056 0.9500 . ?
C057 H05D 0.9900 . ?
C057 H05E 0.9900 . ?
C057 C05C 1.53(2) . ?
C05A H05Q 0.9500 . ?
C05A H05O 0.9900 . ?
C05A H05P 0.9900 . ?
C05A C2 1.62(5) . ?
C05C H05H 0.9900 . ?
C05C H05I 0.9900 . ?
C05C H05F 0.9900 . ?
C05C H05G 0.9900 . ?
C05C CB 1.55(6) . ?
C05C CA 1.56(6) . ?
C05H H05J 0.9900 . ?
C05H H05K 0.9900 . ?
C05H C05I 1.52(2) . ?
C05H C7B 1.715(10) . ?
C05H C7A 1.709(10) . ?
C05I H05L 0.9900 . ?
C05I H05M 0.9900 . ?
CB HBA 0.9800 . ?
CB HBB 0.9800 . ?
CB HBC 0.9800 . ?
C4B H4BA 0.9800 . ?
C4B H4BB 0.9800 . ?
C4B H4BC 0.9800 . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C1 C3 1.50(3) . ?
N5 H5 0.8800 . ?
C7B H7BA 0.9800 . ?
C7B H7BB 0.9800 . ?
C7B H7BC 0.9800 . ?
C3 H3BC 0.9900 . ?
C3 H3BD 0.9900 . ?
C3 H3AA 0.9900 . ?
C3 H3AB 0.9900 . ?
C3 C6B 1.49(5) . ?
C3 C6A 1.67(5) . ?
C6B H6BA 0.9800 . ?
C6B H6BB 0.9800 . ?
C6B H6BC 0.9800 . ?
C6A H6AA 0.9800 . ?
C6A H6AB 0.9800 . ?
C6A H6AC 0.9800 . ?
CA HAA 0.9800 . ?
CA HAB 0.9800 . ?
CA HAC 0.9800 . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C4A H4AA 0.9800 . ?
C4A H4AB 0.9800 . ?
C4A H4AC 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Au02 Au01 Au04 58.139(18) . . ?
Au02 Au01 Au06 106.58(2) . . ?
Au03 Au01 Au02 111.80(2) 3_666 . ?
Au03 Au01 Au04 106.67(3) 3_666 . ?
Au03 Au01 Au06 61.71(3) 3_666 . ?
Au05 Au01 Au02 61.73(2) 3_666 . ?
Au05 Au01 Au03 63.95(2) 3_666 3_666 ?
Au05 Au01 Au04 107.72(3) 3_666 . ?
Au05 Au01 Au06 112.28(3) 3_666 . ?
Au06 Au01 Au04 56.85(2) . . ?
Pd07 Au01 Au02 59.160(19) . . ?
Pd07 Au01 Au03 59.67(2) . 3_666 ?
Pd07 Au01 Au04 56.53(2) . . ?
Pd07 Au01 Au05 60.302(19) . 3_666 ?
Pd07 Au01 Au06 58.88(2) . . ?
S00A Au01 Au02 113.00(8) . . ?
S00A Au01 Au03 129.31(8) . 3_666 ?
S00A Au01 Au04 116.39(8) . . ?
S00A Au01 Au05 121.36(8) . 3_666 ?
S00A Au01 Au06 123.50(8) . . ?
S00A Au01 Pd07 171.02(8) . . ?
Au01 Au02 Au04 63.95(2) . . ?
Au01 Au02 Au05 57.804(16) . 3_666 ?
Au01 Au02 Au06 104.26(2) . 3_666 ?
Au03 Au02 Au01 109.45(2) . . ?
Au03 Au02 Au04 59.12(2) . . ?
Au03 Au02 Au05 107.56(3) . 3_666 ?
Au03 Au02 Au06 60.65(3) . 3_666 ?
Au04 Au02 Au05 109.24(3) . 3_666 ?
Au04 Au02 Au06 107.13(3) . 3_666 ?
Au05 Au02 Au06 57.55(2) 3_666 3_666 ?
Pd07 Au02 Au01 57.391(15) . . ?
Pd07 Au02 Au03 58.75(2) . . ?
Pd07 Au02 Au04 58.12(2) . . ?
Pd07 Au02 Au05 58.31(2) . 3_666 ?
Pd07 Au02 Au06 57.593(18) . 3_666 ?
P00B Au02 Au01 114.99(8) . . ?
P00B Au02 Au03 123.96(9) . . ?
P00B Au02 Au04 114.24(9) . . ?
P00B Au02 Au05 124.26(9) . 3_666 ?
P00B Au02 Au06 131.96(8) . 3_666 ?
P00B Au02 Pd07 170.43(8) . . ?
Au01 Au03 Au02 110.10(3) 3_666 . ?
Au01 Au03 Au04 106.14(2) 3_666 . ?
Au01 Au03 Au05 57.59(2) 3_666 . ?
Au01 Au03 Au06 61.05(3) 3_666 3_666 ?
Au02 Au03 Au05 107.41(3) . . ?
Au02 Au03 Au06 62.16(2) . 3_666 ?
Au04 Au03 Au02 61.003(19) . . ?
Au04 Au03 Au05 58.40(2) . . ?
Au04 Au03 Au06 109.76(2) . 3_666 ?
Au06 Au03 Au05 106.79(2) 3_666 . ?
Pd07 Au03 Au01 58.077(19) . 3_666 ?
Pd07 Au03 Au02 58.976(19) . . ?
Pd07 Au03 Au04 58.85(2) . . ?
Pd07 Au03 Au05 57.570(17) . . ?
Pd07 Au03 Au06 58.188(19) . 3_666 ?
P00H Au03 Au01 128.48(9) 3_667 3_666 ?
P00H Au03 Au02 117.26(9) 3_667 . ?
P00H Au03 Au04 113.52(8) 3_667 . ?
P00H Au03 Au05 120.75(9) 3_667 . ?
P00H Au03 Au06 127.34(8) 3_667 3_666 ?
P00H Au03 Pd07 172.26(8) 3_667 . ?
Au02 Au04 Au01 57.91(2) . . ?
Au03 Au04 Au01 105.31(2) . . ?
Au03 Au04 Au02 59.88(2) . . ?
Au03 Au04 Au05 63.408(18) . . ?
Au03 Au04 Au06 110.96(3) . . ?
Au05 Au04 Au01 106.15(3) . . ?
Au05 Au04 Au02 110.48(3) . . ?
Au05 Au04 Au06 60.06(2) . . ?
Au06 Au04 Au01 59.61(3) . . ?
Au06 Au04 Au02 108.73(3) . . ?
Pd07 Au04 Au01 55.44(2) . . ?
Pd07 Au04 Au02 58.70(2) . . ?
Pd07 Au04 Au03 59.211(14) . . ?
Pd07 Au04 Au05 59.429(19) . . ?
Pd07 Au04 Au06 59.606(19) . . ?
S00C Au04 Au01 114.29(8) . . ?
S00C Au04 Au02 122.60(9) . . ?
S00C Au04 Au03 132.26(8) . . ?
S00C Au04 Au05 124.55(8) . . ?
S00C Au04 Au06 111.54(8) . . ?
S00C Au04 Pd07 168.37(8) . . ?
Au01 Au05 Au02 60.47(2) 3_666 3_666 ?
Au01 Au05 Au03 58.46(2) 3_666 . ?
Au01 Au05 Au04 106.70(3) 3_666 . ?
Au01 Au05 Au06 110.57(3) 3_666 . ?
Au02 Au05 Au03 106.57(2) 3_666 . ?
Au04 Au05 Au02 109.34(3) . 3_666 ?
Au04 Au05 Au03 58.19(2) . . ?
Au04 Au05 Au06 60.26(2) . . ?
Au06 Au05 Au02 62.786(19) . 3_666 ?
Au06 Au05 Au03 106.98(3) . . ?
Pd07 Au05 Au01 58.25(2) . 3_666 ?
Pd07 Au05 Au02 58.12(2) . 3_666 ?
Pd07 Au05 Au03 57.167(19) . . ?
Pd07 Au05 Au04 58.63(3) . . ?
Pd07 Au05 Au06 59.422(17) . . ?
P00K Au05 Au01 123.01(9) . 3_666 ?
P00K Au05 Au02 126.24(9) . 3_666 ?
P00K Au05 Au03 119.34(9) . . ?
P00K Au05 Au04 117.67(9) . . ?
P00K Au05 Au06 121.55(8) . . ?
P00K Au05 Pd07 175.64(9) . . ?
Au01 Au06 Au02 103.14(3) . 3_666 ?
Au01 Au06 Au03 57.24(2) . 3_666 ?
Au03 Au06 Au02 57.19(2) 3_666 3_666 ?
Au04 Au06 Au01 63.55(2) . . ?
Au04 Au06 Au02 106.46(2) . 3_666 ?
Au04 Au06 Au03 108.46(3) . 3_666 ?
Au05 Au06 Au01 108.89(2) . . ?
Au05 Au06 Au02 59.67(2) . 3_666 ?
Au05 Au06 Au03 106.46(2) . 3_666 ?
Au05 Au06 Au04 59.68(2) . . ?
Pd07 Au06 Au01 56.430(14) . . ?
Pd07 Au06 Au02 56.885(19) . 3_666 ?
Pd07 Au06 Au03 57.252(14) . 3_666 ?
Pd07 Au06 Au04 58.26(2) . . ?
Pd07 Au06 Au05 58.861(19) . . ?
P00M Au06 Au01 119.09(9) . . ?
P00M Au06 Au02 131.48(9) . 3_666 ?
P00M Au06 Au03 128.70(8) . 3_666 ?
P00M Au06 Au04 112.85(9) . . ?
P00M Au06 Au05 120.00(9) . . ?
P00M Au06 Pd07 170.85(9) . . ?
Au01 Pd07 Au01 180.0 3_666 . ?
Au01 Pd07 Au02 116.55(2) . 3_666 ?
Au01 Pd07 Au02 63.45(2) 3_666 3_666 ?
Au01 Pd07 Au02 63.45(2) . . ?
Au01 Pd07 Au02 116.55(2) 3_666 . ?
Au01 Pd07 Au03 117.75(2) . . ?
Au01 Pd07 Au03 117.74(2) 3_666 3_666 ?
Au01 Pd07 Au03 62.25(2) . 3_666 ?
Au01 Pd07 Au03 62.26(2) 3_666 . ?
Au01 Pd07 Au04 68.031(19) . . ?
Au01 Pd07 Au04 111.970(19) . 3_666 ?
Au01 Pd07 Au04 68.030(19) 3_666 3_666 ?
Au01 Pd07 Au04 111.969(19) 3_666 . ?
Au01 Pd07 Au05 118.56(2) 3_666 3_666 ?
Au01 Pd07 Au05 118.56(2) . . ?
Au01 Pd07 Au05 61.44(2) 3_666 . ?
Au01 Pd07 Au05 61.44(2) . 3_666 ?
Au01 Pd07 Au06 115.31(2) . 3_666 ?
Au01 Pd07 Au06 64.69(2) 3_666 3_666 ?
Au01 Pd07 Au06 64.69(2) . . ?
Au01 Pd07 Au06 115.31(2) 3_666 . ?
Au02 Pd07 Au02 180.0 . 3_666 ?
Au02 Pd07 Au05 63.57(3) 3_666 . ?
Au02 Pd07 Au05 116.43(3) . . ?
Au02 Pd07 Au05 63.57(3) . 3_666 ?
Au02 Pd07 Au05 116.43(3) 3_666 3_666 ?
Au02 Pd07 Au06 114.477(17) . . ?
Au02 Pd07 Au06 65.521(17) 3_666 . ?
Au02 Pd07 Au06 114.479(18) 3_666 3_666 ?
Au02 Pd07 Au06 65.524(18) . 3_666 ?
Au03 Pd07 Au02 62.27(2) 3_666 3_666 ?
Au03 Pd07 Au02 117.731(19) . 3_666 ?
Au03 Pd07 Au02 62.27(2) . . ?
Au03 Pd07 Au02 117.73(2) 3_666 . ?
Au03 Pd07 Au03 180.0 . 3_666 ?
Au03 Pd07 Au05 114.74(2) . 3_666 ?
Au03 Pd07 Au05 65.27(2) 3_666 3_666 ?
Au03 Pd07 Au05 114.73(2) 3_666 . ?
Au03 Pd07 Au05 65.26(2) . . ?
Au03 Pd07 Au06 64.56(2) . 3_666 ?
Au03 Pd07 Au06 64.56(2) 3_666 . ?
Au03 Pd07 Au06 115.44(2) 3_666 3_666 ?
Au03 Pd07 Au06 115.44(2) . . ?
Au04 Pd07 Au02 63.18(2) . . ?
Au04 Pd07 Au02 116.817(19) . 3_666 ?
Au04 Pd07 Au02 116.82(2) 3_666 . ?
Au04 Pd07 Au02 63.18(2) 3_666 3_666 ?
Au04 Pd07 Au03 118.05(2) . 3_666 ?
Au04 Pd07 Au03 61.95(2) 3_666 3_666 ?
Au04 Pd07 Au03 61.94(2) . . ?
Au04 Pd07 Au03 118.05(2) 3_666 . ?
Au04 Pd07 Au04 180.0 3_666 . ?
Au04 Pd07 Au05 118.06(3) 3_666 . ?
Au04 Pd07 Au05 61.94(3) . . ?
Au04 Pd07 Au05 61.94(3) 3_666 3_666 ?
Au04 Pd07 Au05 118.06(3) . 3_666 ?
Au04 Pd07 Au06 117.865(16) 3_666 . ?
Au04 Pd07 Au06 62.135(16) 3_666 3_666 ?
Au04 Pd07 Au06 117.863(16) . 3_666 ?
Au04 Pd07 Au06 62.137(16) . . ?
Au05 Pd07 Au05 180.0 3_666 . ?
Au05 Pd07 Au06 118.282(15) . 3_666 ?
Au05 Pd07 Au06 61.717(15) . . ?
Au05 Pd07 Au06 61.719(15) 3_666 3_666 ?
Au05 Pd07 Au06 118.281(15) 3_666 . ?
Au06 Pd07 Au06 180.0 3_666 . ?
S00E Pd08 S00D 89.30(12) . . ?
S00E Pd08 S00G 91.37(12) . . ?
S00E Pd08 S00J 173.14(12) . . ?
S00G Pd08 S00D 172.26(12) . . ?
S00G Pd08 S00J 88.54(12) . . ?
S00J Pd08 S00D 89.88(12) . . ?
S00F Pd09 S00L 171.74(12) . . ?
S00F Pd09 S00N 91.79(13) . . ?
S00I Pd09 S00F 88.44(13) . . ?
S00I Pd09 S00L 87.76(13) . . ?
S00I Pd09 S00N 172.58(12) . . ?
S00L Pd09 S00N 91.03(13) . . ?
C01K S00A Au01 98.5(5) . . ?
C01D P00B Au02 117.6(3) . . ?
C01D P00B C01E 102.3(4) . . ?
C01E P00B Au02 113.5(3) . . ?
C02K P00B Au02 114.7(3) . . ?
C02K P00B C01D 104.2(4) . . ?
C02K P00B C01E 102.9(5) . . ?
C01F S00C Au04 100.5(5) . . ?
C01A S00D Pd08 106.9(5) . . ?
C012 S00E Pd08 107.4(5) . . ?
C020 S00F Pd09 108.7(5) . . ?
C02C S00G Pd08 104.0(5) . . ?
C02Y P00H Au03 112.8(3) . 3_667 ?
C02N P00H Au03 117.0(5) . 3_667 ?
C02N P00H C02Y 104.3(6) . . ?
C02V P00H Au03 115.7(5) . 3_667 ?
C02V P00H C02Y 107.7(5) . . ?
C02V P00H C02N 97.6(7) . . ?
C01I S00I Pd09 103.9(5) . . ?
C01N S00J Pd08 103.4(4) . . ?
C00U P00K Au05 115.0(3) . . ?
C016 P00K Au05 111.9(3) . . ?
C016 P00K C00U 106.1(4) . . ?
C016 P00K C029 104.3(4) . . ?
C029 P00K Au05 115.8(3) . . ?
C029 P00K C00U 102.5(5) . . ?
C02E S00L Pd09 105.5(5) . . ?
C026 P00M Au06 110.7(3) . . ?
C025 P00M Au06 116.3(3) . . ?
C025 P00M C026 104.3(5) . . ?
C038 P00M Au06 120.0(3) . . ?
C038 P00M C026 102.9(4) . . ?
C038 P00M C025 100.8(5) . . ?
C00W S00N Pd09 107.6(5) . . ?
C00W N00O H00O 120.9 . . ?
C00W N00O C019 118.2(12) . . ?
C019 N00O H00O 120.9 . . ?
C01A N00Q C019 118.0(12) . . ?
C00W N00R H00R 118.6 . . ?
C00W N00R C01A 122.7(12) . . ?
C01A N00R H00R 118.6 . . ?
C012 N00S H00S 121.9 . . ?
C03L N00S H00S 121.9 . . ?
C03L N00S C012 116.3(12) . . ?
C01N N00T H00T 119.9 . . ?
C01N N00T C020 120.2(12) . . ?
C020 N00T H00T 119.9 . . ?
C01L C00U P00K 121.0(5) . . ?
C01L C00U C015 120.0 . . ?
C015 C00U P00K 119.0(5) . . ?
C00U C01L H01L 120.0 . . ?
C023 C01L C00U 120.0 . . ?
C023 C01L H01L 120.0 . . ?
C01L C023 H023 120.0 . . ?
C01L C023 C03M 120.0 . . ?
C03M C023 H023 120.0 . . ?
C023 C03M H03P 120.0 . . ?
C023 C03M C01W 120.0 . . ?
C01W C03M H03P 120.0 . . ?
C03M C01W H01W 120.0 . . ?
C015 C01W C03M 120.0 . . ?
C015 C01W H01W 120.0 . . ?
C00U C015 H015 120.0 . . ?
C01W C015 C00U 120.0 . . ?
C01W C015 H015 120.0 . . ?
C020 N00V C02M 118.0(11) . . ?
N00O C00W S00N 120.4(10) . . ?
N00O C00W N00R 119.3(12) . . ?
N00R C00W S00N 120.0(10) . . ?
C01K N00X C031 115.3(12) . . ?
C01U N00Y C030 119.2(13) . . ?
C01U N00Y C035 121.6(13) . . ?
C035 N00Y C030 119.1(12) . . ?
C019 N00Z C02T 120.3(12) . . ?
C019 N00Z C03A 124.1(12) . . ?
C02T N00Z C03A 115.4(11) . . ?
C01I N010 C01U 116.5(12) . . ?
C01F N011 C031 116.6(11) . . ?
N00S C012 S00E 118.3(10) . . ?
N013 C012 S00E 122.0(11) . . ?
N013 C012 N00S 119.6(13) . . ?
C012 N013 H013 119.7 . . ?
C012 N013 C02E 120.6(12) . . ?
C02E N013 H013 119.7 . . ?
C01I N014 H014 122.8 . . ?
C02C N014 H014 122.8 . . ?
C02C N014 C01I 114.4(11) . . ?
C01C C016 P00K 117.3(5) . . ?
C01C C016 C01M 120.0 . . ?
C01M C016 P00K 122.7(5) . . ?
C016 C01C H01G 120.0 . . ?
C02X C01C C016 120.0 . . ?
C02X C01C H01G 120.0 . . ?
C01C C02X H02X 120.0 . . ?
C01C C02X C022 120.0 . . ?
C022 C02X H02X 120.0 . . ?
C02X C022 H022 120.0 . . ?
C02P C022 C02X 120.0 . . ?
C02P C022 H022 120.0 . . ?
C022 C02P H02P 120.0 . . ?
C022 C02P C01M 120.0 . . ?
C01M C02P H02P 120.0 . . ?
C016 C01M H01M 120.0 . . ?
C02P C01M C016 120.0 . . ?
C02P C01M H01M 120.0 . . ?
C01N N017 H017 121.8 . . ?
C01N N017 C02M 116.5(11) . . ?
C02M N017 H017 121.8 . . ?
C02E N018 C03L 115.3(13) . . ?
N00Q C019 N00O 122.9(12) . . ?
N00Q C019 N00Z 117.6(13) . . ?
N00Z C019 N00O 119.4(13) . . ?
N00Q C01A S00D 122.3(10) . . ?
N00Q C01A N00R 118.7(12) . . ?
N00R C01A S00D 118.9(10) . . ?
C01X N01B C02G 116.0(11) . . ?
C02M N01B C01X 122.7(11) . . ?
C02M N01B C02G 121.2(11) . . ?
C027 C01D P00B 120.9(5) . . ?
C027 C01D C01R 120.0 . . ?
C01R C01D P00B 118.8(5) . . ?
C01D C027 H027 120.0 . . ?
C02U C027 C01D 120.0 . . ?
C02U C027 H027 120.0 . . ?
C027 C02U H02U 120.0 . . ?
C027 C02U C02S 120.0 . . ?
C02S C02U H02U 120.0 . . ?
C02U C02S H02S 120.0 . . ?
C021 C02S C02U 120.0 . . ?
C021 C02S H02S 120.0 . . ?
C02S C021 H021 120.0 . . ?
C01R C021 C02S 120.0 . . ?
C01R C021 H021 120.0 . . ?
C01D C01R H01R 120.0 . . ?
C021 C01R C01D 120.0 . . ?
C021 C01R H01R 120.0 . . ?
C01J C01E P00B 122.9(5) . . ?
C01J C01E C01Z 120.0 . . ?
C01Z C01E P00B 117.1(5) . . ?
C01E C01J H01J 120.0 . . ?
C033 C01J C01E 120.0 . . ?
C033 C01J H01J 120.0 . . ?
C01J C033 H033 120.0 . . ?
C04F C033 C01J 120.0 . . ?
C04F C033 H033 120.0 . . ?
C033 C04F H04Q 120.0 . . ?
C033 C04F C03B 120.0 . . ?
C03B C04F H04Q 120.0 . . ?
C04F C03B H03Q 120.0 . . ?
C01Z C03B C04F 120.0 . . ?
C01Z C03B H03Q 120.0 . . ?
C01E C01Z H01Z 120.0 . . ?
C03B C01Z C01E 120.0 . . ?
C03B C01Z H01Z 120.0 . . ?
N011 C01F S00C 123.6(10) . . ?
N011 C01F N5 118.3(12) . . ?
N5 C01F S00C 118.0(10) . . ?
H01A C01G H01B 107.6 . . ?
C01X C01G H01A 108.7 . . ?
C01X C01G H01B 108.7 . . ?
C01X C01G C02R 114.1(11) . . ?
C02R C01G H01A 108.7 . . ?
C02R C01G H01B 108.7 . . ?
C042 C01H H01H 120.0 . . ?
C042 C01H C026 120.0 . . ?
C026 C01H H01H 120.0 . . ?
C01H C042 H042 120.0 . . ?
C01H C042 C04V 120.0 . . ?
C04V C042 H042 120.0 . . ?
C042 C04V H04V 120.0 . . ?
C042 C04V C05F 120.0 . . ?
C05F C04V H04V 120.0 . . ?
C04V C05F H05N 120.0 . . ?
C04U C05F C04V 120.0 . . ?
C04U C05F H05N 120.0 . . ?
C05F C04U H04U 120.0 . . ?
C026 C04U C05F 120.0 . . ?
C026 C04U H04U 120.0 . . ?
C01H C026 P00M 117.9(5) . . ?
C04U C026 P00M 121.6(5) . . ?
C04U C026 C01H 120.0 . . ?
N010 C01I S00I 116.4(10) . . ?
N010 C01I N014 124.8(13) . . ?
N014 C01I S00I 118.2(10) . . ?
N00X C01K S00A 122.8(11) . . ?
N00X C01K N5 120.5(13) . . ?
N5 C01K S00A 116.7(10) . . ?
N00T C01N S00J 119.3(10) . . ?
N017 C01N S00J 119.8(9) . . ?
N017 C01N N00T 120.8(11) . . ?
C01U N01O H01O 122.4 . . ?
C02C N01O H01O 122.4 . . ?
C02C N01O C01U 115.2(12) . . ?
C03L N01P C04C 123.0(13) . . ?
C03L N01P C04L 119.7(13) . . ?
C04C N01P C04L 116.7(12) . . ?
H01C C01Q H01D 108.1 . . ?
C02G C01Q H01C 109.6 . . ?
C02G C01Q H01D 109.6 . . ?
C02G C01Q C02Q 110.4(12) . . ?
C02Q C01Q H01C 109.6 . . ?
C02Q C01Q H01D 109.6 . . ?
C031 N01S C02W 119.1(13) . . ?
C031 N01S C03G 122.7(12) . . ?
C03G N01S C02W 118.2(11) . . ?
C02A C01T H01T 120.0 . . ?
C02A C01T C02Y 120.0 . . ?
C02Y C01T H01T 120.0 . . ?
C01T C02A H02N 120.0 . . ?
C01T C02A C02J 120.0 . . ?
C02J C02A H02N 120.0 . . ?
C02A C02J H02O 120.0 . . ?
C02A C02J C03N 120.0 . . ?
C03N C02J H02O 120.0 . . ?
C02J C03N H2 120.0 . . ?
C02D C03N C02J 120.0 . . ?
C02D C03N H2 120.0 . . ?
C03N C02D H02Q 120.0 . . ?
C03N C02D C02Y 120.0 . . ?
C02Y C02D H02Q 120.0 . . ?
C01T C02Y P00H 118.0(5) . . ?
C02D C02Y P00H 122.0(5) . . ?
C02D C02Y C01T 120.0 . . ?
N00Y C01U N010 120.2(14) . . ?
N00Y C01U N01O 116.3(14) . . ?
N010 C01U N01O 123.6(13) . . ?
C03X C01V H01V 120.0 . . ?
C03X C01V C025 120.0 . . ?
C025 C01V H01V 120.0 . . ?
C01V C03X H03X 120.0 . . ?
C01V C03X C040 120.0 . . ?
C040 C03X H03X 120.0 . . ?
C03X C040 H040 120.0 . . ?
C03X C040 C04S 120.0 . . ?
C04S C040 H040 120.0 . . ?
C040 C04S H04S 120.0 . . ?
C050 C04S C040 120.0 . . ?
C050 C04S H04S 120.0 . . ?
C04S C050 H050 120.0 . . ?
C04S C050 C025 120.0 . . ?
C025 C050 H050 120.0 . . ?
C01V C025 P00M 118.3(6) . . ?
C050 C025 P00M 121.7(5) . . ?
C050 C025 C01V 120.0 . . ?
N01B C01X C01G 115.3(11) . . ?
N01B C01X H01E 108.5 . . ?
N01B C01X H01F 108.5 . . ?
C01G C01X H01E 108.5 . . ?
C01G C01X H01F 108.5 . . ?
H01E C01X H01F 107.5 . . ?
C02K C01Y H01Y 120.0 . . ?
C02K C01Y C03R 120.0 . . ?
C03R C01Y H01Y 120.0 . . ?
C01Y C02K P00B 116.8(5) . . ?
C034 C02K P00B 123.1(5) . . ?
C034 C02K C01Y 120.0 . . ?
C02K C034 H034 120.0 . . ?
C02K C034 C043 120.0 . . ?
C043 C034 H034 120.0 . . ?
C034 C043 H043 120.0 . . ?
C034 C043 C04X 120.0 . . ?
C04X C043 H043 120.0 . . ?
C043 C04X H04X 120.0 . . ?
C03R C04X C043 120.0 . . ?
C03R C04X H04X 120.0 . . ?
C01Y C03R H03R 120.0 . . ?
C04X C03R C01Y 120.0 . . ?
C04X C03R H03R 120.0 . . ?
N00T C020 S00F 119.4(10) . . ?
N00V C020 S00F 119.8(10) . . ?
N00V C020 N00T 120.3(12) . . ?
C03Q C028 H028 120.0 . . ?
C03Q C028 C03J 120.0 . . ?
C03J C028 H028 120.0 . . ?
C028 C03Q H03S 120.0 . . ?
C028 C03Q C04A 120.0 . . ?
C04A C03Q H03S 120.0 . . ?
C03Q C04A H04R 120.0 . . ?
C039 C04A C03Q 120.0 . . ?
C039 C04A H04R 120.0 . . ?
C04A C039 H039 120.0 . . ?
C038 C039 C04A 120.0 . . ?
C038 C039 H039 120.0 . . ?
C039 C038 P00M 119.5(5) . . ?
C039 C038 C03J 120.0 . . ?
C03J C038 P00M 120.5(5) . . ?
C028 C03J H03T 120.0 . . ?
C038 C03J C028 120.0 . . ?
C038 C03J H03T 120.0 . . ?
N014 C02C S00G 117.9(10) . . ?
N01O C02C S00G 116.6(10) . . ?
N01O C02C N014 125.3(12) . . ?
N013 C02E S00L 117.7(10) . . ?
N018 C02E S00L 120.3(11) . . ?
N018 C02E N013 122.0(13) . . ?
C02B C02F H02I 120.0 . . ?
C02B C02F C024 120.0 . . ?
C024 C02F H02I 120.0 . . ?
C02F C02B H02J 120.0 . . ?
C02Z C02B C02F 120.0 . . ?
C02Z C02B H02J 120.0 . . ?
C02B C02Z H02Z 120.0 . . ?
C02B C02Z C02H 120.0 . . ?
C02H C02Z H02Z 120.0 . . ?
C02Z C02H H02K 120.0 . . ?
C029 C02H C02Z 120.0 . . ?
C029 C02H H02K 120.0 . . ?
C02H C029 P00K 119.9(5) . . ?
C02H C029 C024 120.0 . . ?
C024 C029 P00K 119.5(5) . . ?
C02F C024 H024 120.0 . . ?
C029 C024 C02F 120.0 . . ?
C029 C024 H024 120.0 . . ?
N01B C02G C01Q 114.0(11) . . ?
N01B C02G H02A 108.8 . . ?
N01B C02G H02B 108.8 . . ?
C01Q C02G H02A 108.8 . . ?
C01Q C02G H02B 108.8 . . ?
H02A C02G H02B 107.7 . . ?
C02L C02I H02R 121.0 . . ?
C02L C02I C02V 118.0(13) . . ?
C02V C02I H02R 121.0 . . ?
C02I C02L H02T 118.7 . . ?
C02I C02L C047 122.5(14) . . ?
C047 C02L H02T 118.7 . . ?
N017 C02M N00V 123.7(12) . . ?
N01B C02M N00V 119.6(12) . . ?
N01B C02M N017 116.7(12) . . ?
C03H C02N P00H 115.6(12) . . ?
C03H C02N C056 121.8(15) . . ?
C056 C02N P00H 122.2(12) . . ?
C03C C02O H02V 120.0 . . ?
C047 C02O H02V 120.0 . . ?
C047 C02O C03C 120.1(13) . . ?
C01Q C02Q H02C 108.8 . . ?
C01Q C02Q H02D 108.8 . . ?
H02C C02Q H02D 107.7 . . ?
C04T C02Q C01Q 113.9(14) . . ?
C04T C02Q H02C 108.8 . . ?
C04T C02Q H02D 108.8 . . ?
C01G C02R H02E 109.3 . . ?
C01G C02R H02F 109.3 . . ?
H02E C02R H02F 107.9 . . ?
C03U C02R C01G 111.8(12) . . ?
C03U C02R H02E 109.3 . . ?
C03U C02R H02F 109.3 . . ?
N00Z C02T H02G 108.6 . . ?
N00Z C02T H02H 108.6 . . ?
N00Z C02T C04D 114.5(13) . . ?
H02G C02T H02H 107.6 . . ?
C04D C02T H02G 108.6 . . ?
C04D C02T H02H 108.6 . . ?
C02I C02V P00H 119.7(10) . . ?
C02I C02V C03C 118.8(13) . . ?
C03C C02V P00H 121.0(11) . . ?
N01S C02W H02L 108.7 . . ?
N01S C02W H02M 108.7 . . ?
N01S C02W C048 114.4(12) . . ?
H02L C02W H02M 107.6 . . ?
C048 C02W H02L 108.7 . . ?
C048 C02W H02M 108.7 . . ?
N00Y C030 H03A 108.8 . . ?
N00Y C030 H03B 108.8 . . ?
N00Y C030 C05I 113.7(14) . . ?
H03A C030 H03B 107.7 . . ?
C05I C030 H03A 108.8 . . ?
C05I C030 H03B 108.8 . . ?
N011 C031 N00X 124.4(12) . . ?
N01S C031 N00X 116.3(13) . . ?
N01S C031 N011 119.3(13) . . ?
H03C C032 H03D 107.6 . . ?
C03A C032 H03C 108.7 . . ?
C03A C032 H03D 108.7 . . ?
C046 C032 H03C 108.7 . . ?
C046 C032 H03D 108.7 . . ?
C046 C032 C03A 114.1(14) . . ?
N00Y C035 H03E 109.7 . . ?
N00Y C035 H03F 109.7 . . ?
N00Y C035 C057 109.9(14) . . ?
H03E C035 H03F 108.2 . . ?
C057 C035 H03E 109.7 . . ?
C057 C035 H03F 109.7 . . ?
H03U C037 H03V 109.5 . . ?
H03U C037 H03W 109.5 . . ?
H03V C037 H03W 109.5 . . ?
C03P C037 H03U 109.5 . . ?
C03P C037 H03V 109.5 . . ?
C03P C037 H03W 109.5 . . ?
N00Z C03A C032 110.4(13) . . ?
N00Z C03A H03G 109.6 . . ?
N00Z C03A H03H 109.6 . . ?
C032 C03A H03G 109.6 . . ?
C032 C03A H03H 109.6 . . ?
H03G C03A H03H 108.1 . . ?
C02O C03C C02V 120.4(13) . . ?
C02O C03C H3 119.8 . . ?
C02V C03C H3 119.8 . . ?
N01S C03G H03Z 109.3 . . ?
N01S C03G H 109.3 . . ?
N01S C03G C03S 111.7(13) . . ?
H03Z C03G H 107.9 . . ?
C03S C03G H03Z 109.3 . . ?
C03S C03G H 109.3 . . ?
C02N C03H H4 120.7 . . ?
C02N C03H C041 118.6(16) . . ?
C041 C03H H4 120.7 . . ?
N00S C03L N018 125.3(14) . . ?
N01P C03L N00S 119.6(14) . . ?
N01P C03L N018 115.0(14) . . ?
C037 C03P H03 109.1 . . ?
C037 C03P HA 109.1 . . ?
H03 C03P HA 107.9 . . ?
C048 C03P C037 112.3(13) . . ?
C048 C03P H03 109.1 . . ?
C048 C03P HA 109.1 . . ?
C03G C03S H1 108.4 . . ?
C03G C03S HB 108.4 . . ?
H1 C03S HB 107.4 . . ?
C05A C03S C03G 115.6(14) . . ?
C05A C03S H1 108.4 . . ?
C05A C03S HB 108.4 . . ?
C02R C03U H03I 109.5 . . ?
C02R C03U H03J 109.5 . . ?
C02R C03U H03K 109.5 . . ?
H03I C03U H03J 109.5 . . ?
H03I C03U H03K 109.5 . . ?
H03J C03U H03K 109.5 . . ?
H03L C03Y H03M 108.5 . . ?
C04D C03Y H03Y 121.1 . . ?
C04D C03Y H03L 110.2 . . ?
C04D C03Y H03M 110.2 . . ?
C04D C03Y C4A 108(2) . . ?
C4B C03Y H03Y 121.1 . . ?
C4B C03Y C04D 118(3) . . ?
C4A C03Y H03L 110.2 . . ?
C4A C03Y H03M 110.2 . . ?
H03N C03Z H03O 107.8 . . ?
C04B C03Z H03N 109.0 . . ?
C04B C03Z H03O 109.0 . . ?
C04M C03Z H03N 109.0 . . ?
C04M C03Z H03O 109.0 . . ?
C04M C03Z C04B 112.8(14) . . ?
C03H C041 H041 120.7 . . ?
C03H C041 C04P 118.6(16) . . ?
C04P C041 H041 120.7 . . ?
C04P C044 H044 118.1 . . ?
C04P C044 C056 123.8(16) . . ?
C056 C044 H044 118.1 . . ?
H0A C0 H0B 109.5 . . ?
H0A C0 H0C 109.5 . . ?
H0B C0 H0C 109.5 . . ?
C05A C0 H0A 109.5 . . ?
C05A C0 H0B 109.5 . . ?
C05A C0 H0C 109.5 . . ?
C032 C046 H04A 107.4 . . ?
C032 C046 H04B 107.4 . . ?
H04A C046 H04B 106.9 . . ?
C051 C046 C032 119.9(16) . . ?
C051 C046 H04A 107.4 . . ?
C051 C046 H04B 107.4 . . ?
C02L C047 H047 119.9 . . ?
C02O C047 C02L 120.1(13) . . ?
C02O C047 H047 119.9 . . ?
C02W C048 C03P 109.4(12) . . ?
C02W C048 H04T 109.8 . . ?
C02W C048 H04W 109.8 . . ?
C03P C048 H04T 109.8 . . ?
C03P C048 H04W 109.8 . . ?
H04T C048 H04W 108.2 . . ?
C03Z C04B H04C 109.5 . . ?
C03Z C04B H04D 109.5 . . ?
H04C C04B H04D 108.1 . . ?
C04L C04B C03Z 110.6(13) . . ?
C04L C04B H04C 109.5 . . ?
C04L C04B H04D 109.5 . . ?
N01P C04C H04E 109.1 . . ?
N01P C04C H04F 109.1 . . ?
N01P C04C C1 112.5(14) . . ?
H04E C04C H04F 107.8 . . ?
C1 C04C H04E 109.1 . . ?
C1 C04C H04F 109.1 . . ?
C02T C04D C03Y 105.3(14) . . ?
C02T C04D H04G 110.7 . . ?
C02T C04D H04H 110.7 . . ?
C03Y C04D H04G 110.7 . . ?
C03Y C04D H04H 110.7 . . ?
H04G C04D H04H 108.8 . . ?
N01P C04L H04I 109.4 . . ?
N01P C04L H04J 109.4 . . ?
C04B C04L N01P 111.4(13) . . ?
C04B C04L H04I 109.4 . . ?
C04B C04L H04J 109.4 . . ?
H04I C04L H04J 108.0 . . ?
C03Z C04M H04K 109.5 . . ?
C03Z C04M H04L 109.5 . . ?
C03Z C04M H04M 109.5 . . ?
H04K C04M H04L 109.5 . . ?
H04K C04M H04M 109.5 . . ?
H04L C04M H04M 109.5 . . ?
C041 C04P H04Y 120.9 . . ?
C044 C04P C041 118.2(16) . . ?
C044 C04P H04Y 120.9 . . ?
C02Q C04T H04N 109.5 . . ?
C02Q C04T H04O 109.5 . . ?
C02Q C04T H04P 109.5 . . ?
H04N C04T H04O 109.5 . . ?
H04N C04T H04P 109.5 . . ?
H04O C04T H04P 109.5 . . ?
C046 C051 H05A 109.5 . . ?
C046 C051 H05B 109.5 . . ?
C046 C051 H05C 109.5 . . ?
H05A C051 H05B 109.5 . . ?
H05A C051 H05C 109.5 . . ?
H05B C051 H05C 109.5 . . ?
C02N C056 H056 120.7 . . ?
C044 C056 C02N 118.7(15) . . ?
C044 C056 H056 120.7 . . ?
C035 C057 H05D 109.6 . . ?
C035 C057 H05E 109.6 . . ?
H05D C057 H05E 108.1 . . ?
C05C C057 C035 110.4(15) . . ?
C05C C057 H05D 109.6 . . ?
C05C C057 H05E 109.6 . . ?
C03S C05A H05Q 120.2 . . ?
C03S C05A H05O 110.3 . . ?
C03S C05A H05P 110.3 . . ?
C03S C05A C2 107(2) . . ?
C0 C05A C03S 120(2) . . ?
C0 C05A H05Q 120.2 . . ?
H05O C05A H05P 108.5 . . ?
C2 C05A H05O 110.3 . . ?
C2 C05A H05P 110.3 . . ?
C057 C05C H05H 110.3 . . ?
C057 C05C H05I 110.3 . . ?
C057 C05C H05F 108.4 . . ?
C057 C05C H05G 108.4 . . ?
C057 C05C CB 107(2) . . ?
C057 C05C CA 115(2) . . ?
H05H C05C H05I 108.6 . . ?
H05F C05C H05G 107.5 . . ?
CB C05C H05H 110.3 . . ?
CB C05C H05I 110.3 . . ?
CA C05C H05F 108.4 . . ?
CA C05C H05G 108.4 . . ?
H05J C05H H05K 107.7 . . ?
C05I C05H H05J 108.9 . . ?
C05I C05H H05K 108.9 . . ?
C05I C05H C7B 96(2) . . ?
C05I C05H C7A 113.3(14) . . ?
C7A C05H H05J 108.9 . . ?
C7A C05H H05K 108.9 . . ?
C030 C05I H05L 109.1 . . ?
C030 C05I H05M 109.1 . . ?
C05H C05I C030 112.4(15) . . ?
C05H C05I H05L 109.1 . . ?
C05H C05I H05M 109.1 . . ?
H05L C05I H05M 107.9 . . ?
C05C CB HBA 109.5 . . ?
C05C CB HBB 109.5 . . ?
C05C CB HBC 109.5 . . ?
HBA CB HBB 109.5 . . ?
HBA CB HBC 109.5 . . ?
HBB CB HBC 109.5 . . ?
C03Y C4B H4BA 109.5 . . ?
C03Y C4B H4BB 109.5 . . ?
C03Y C4B H4BC 109.5 . . ?
H4BA C4B H4BB 109.5 . . ?
H4BA C4B H4BC 109.5 . . ?
H4BB C4B H4BC 109.5 . . ?
C04C C1 H1A 108.0 . . ?
C04C C1 H1B 108.0 . . ?
H1A C1 H1B 107.2 . . ?
C3 C1 C04C 117.3(16) . . ?
C3 C1 H1A 108.0 . . ?
C3 C1 H1B 108.0 . . ?
C01F N5 H5 118.7 . . ?
C01K N5 C01F 122.7(11) . . ?
C01K N5 H5 118.7 . . ?
C05H C7B H7BA 109.5 . . ?
C05H C7B H7BB 109.5 . . ?
C05H C7B H7BC 109.5 . . ?
H7BA C7B H7BB 109.5 . . ?
H7BA C7B H7BC 109.5 . . ?
H7BB C7B H7BC 109.5 . . ?
C1 C3 H3BC 105.9 . . ?
C1 C3 H3BD 105.9 . . ?
C1 C3 H3AA 111.7 . . ?
C1 C3 H3AB 111.7 . . ?
C1 C3 C6A 100(2) . . ?
H3BC C3 H3BD 106.2 . . ?
H3AA C3 H3AB 109.5 . . ?
C6B C3 C1 126(2) . . ?
C6B C3 H3BC 105.9 . . ?
C6B C3 H3BD 105.9 . . ?
C6A C3 H3AA 111.7 . . ?
C6A C3 H3AB 111.7 . . ?
C3 C6B H6BA 109.5 . . ?
C3 C6B H6BB 109.5 . . ?
C3 C6B H6BC 109.5 . . ?
H6BA C6B H6BB 109.5 . . ?
H6BA C6B H6BC 109.5 . . ?
H6BB C6B H6BC 109.5 . . ?
C3 C6A H6AA 109.5 . . ?
C3 C6A H6AB 109.5 . . ?
C3 C6A H6AC 109.5 . . ?
H6AA C6A H6AB 109.5 . . ?
H6AA C6A H6AC 109.5 . . ?
H6AB C6A H6AC 109.5 . . ?
C05C CA HAA 109.5 . . ?
C05C CA HAB 109.5 . . ?
C05C CA HAC 109.5 . . ?
HAA CA HAB 109.5 . . ?
HAA CA HAC 109.5 . . ?
HAB CA HAC 109.5 . . ?
C05A C2 H2A 109.5 . . ?
C05A C2 H2B 109.5 . . ?
C05A C2 H2C 109.5 . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C03Y C4A H4AA 109.5 . . ?
C03Y C4A H4AB 109.5 . . ?
C03Y C4A H4AC 109.5 . . ?
H4AA C4A H4AB 109.5 . . ?
H4AA C4A H4AC 109.5 . . ?
H4AB C4A H4AC 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Au01 S00A C01K N00X -150.0(12) . . . . ?
Au01 S00A C01K N5 27.4(11) . . . . ?
Au02 P00B C01D C027 -164.8(4) . . . . ?
Au02 P00B C01D C01R 21.1(6) . . . . ?
Au02 P00B C01E C01J -105.5(5) . . . . ?
Au02 P00B C01E C01Z 73.8(5) . . . . ?
Au02 P00B C02K C01Y 49.9(6) . . . . ?
Au02 P00B C02K C034 -133.3(5) . . . . ?
Au03 P00H C02Y C01T -61.9(5) 3_667 . . . ?
Au03 P00H C02Y C02D 119.0(5) 3_667 . . . ?
Au03 P00H C02N C03H -51.6(13) 3_667 . . . ?
Au03 P00H C02N C056 135.4(11) 3_667 . . . ?
Au03 P00H C02V C02I 9.7(13) 3_667 . . . ?
Au03 P00H C02V C03C -178.4(10) 3_667 . . . ?
Au04 S00C C01F N011 154.7(11) . . . . ?
Au04 S00C C01F N5 -22.3(11) . . . . ?
Au05 P00K C00U C01L -162.9(4) . . . . ?
Au05 P00K C00U C015 16.0(6) . . . . ?
Au05 P00K C016 C01C 61.7(5) . . . . ?
Au05 P00K C016 C01M -120.5(5) . . . . ?
Au05 P00K C029 C02H -149.6(4) . . . . ?
Au05 P00K C029 C024 38.9(6) . . . . ?
Au06 P00M C026 C01H 27.2(6) . . . . ?
Au06 P00M C026 C04U -160.8(5) . . . . ?
Au06 P00M C025 C01V 22.4(7) . . . . ?
Au06 P00M C025 C050 -159.8(5) . . . . ?
Au06 P00M C038 C039 77.8(6) . . . . ?
Au06 P00M C038 C03J -102.7(5) . . . . ?
Pd08 S00D C01A N00Q -153.5(10) . . . . ?
Pd08 S00D C01A N00R 27.6(11) . . . . ?
Pd08 S00E C012 N00S -168.3(9) . . . . ?
Pd08 S00E C012 N013 15.2(12) . . . . ?
Pd08 S00G C02C N014 27.3(12) . . . . ?
Pd08 S00G C02C N01O -156.1(10) . . . . ?
Pd08 S00J C01N N00T 38.3(10) . . . . ?
Pd08 S00J C01N N017 -144.6(9) . . . . ?
Pd09 S00F C020 N00T 17.6(12) . . . . ?
Pd09 S00F C020 N00V -170.0(10) . . . . ?
Pd09 S00I C01I N010 -161.7(10) . . . . ?
Pd09 S00I C01I N014 26.6(12) . . . . ?
Pd09 S00L C02E N013 33.3(11) . . . . ?
Pd09 S00L C02E N018 -147.7(11) . . . . ?
Pd09 S00N C00W N00O -160.3(10) . . . . ?
Pd09 S00N C00W N00R 26.2(12) . . . . ?
S00A C01K N5 C01F -161.5(11) . . . . ?
P00B C01D C027 C02U -174.0(7) . . . . ?
P00B C01D C01R C021 174.2(7) . . . . ?
P00B C01E C01J C033 179.2(7) . . . . ?
P00B C01E C01Z C03B -179.3(7) . . . . ?
P00B C02K C034 C043 -176.8(8) . . . . ?
S00C C01F N5 C01K 163.4(11) . . . . ?
S00E C012 N013 C02E 169.1(10) . . . . ?
P00H C02N C03H C041 -167.6(12) . . . . ?
P00H C02N C056 C044 167.0(12) . . . . ?
P00H C02V C03C C02O -173.0(11) . . . . ?
P00K C00U C01L C023 178.9(7) . . . . ?
P00K C00U C015 C01W -178.9(7) . . . . ?
P00K C016 C01C C02X 177.9(7) . . . . ?
P00K C016 C01M C02P -177.7(7) . . . . ?
P00K C029 C024 C02F 171.5(7) . . . . ?
P00M C038 C03J C028 -179.5(7) . . . . ?
N00S C012 N013 C02E -7.4(19) . . . . ?
C00U P00K C016 C01C -172.1(5) . . . . ?
C00U P00K C016 C01M 5.7(7) . . . . ?
C00U P00K C029 C02H 84.4(6) . . . . ?
C00U P00K C029 C024 -87.2(6) . . . . ?
C00U C01L C023 C03M 0.0 . . . . ?
C01L C00U C015 C01W 0.0 . . . . ?
C01L C023 C03M C01W 0.0 . . . . ?
C023 C03M C01W C015 0.0 . . . . ?
C03M C01W C015 C00U 0.0 . . . . ?
C015 C00U C01L C023 0.0 . . . . ?
C00W N00O C019 N00Q 0(2) . . . . ?
C00W N00O C019 N00Z 176.0(13) . . . . ?
C00W N00R C01A S00D 176.5(10) . . . . ?
C00W N00R C01A N00Q -2.4(19) . . . . ?
N00X C01K N5 C01F 16(2) . . . . ?
N00Y C030 C05I C05H 179.4(14) . . . . ?
N00Y C035 C057 C05C 176.0(14) . . . . ?
N00Z C02T C04D C03Y -177.5(13) . . . . ?
N011 C01F N5 C01K -14(2) . . . . ?
C012 N00S C03L N018 7(2) . . . . ?
C012 N00S C03L N01P -172.8(13) . . . . ?
C012 N013 C02E S00L -171.9(10) . . . . ?
C012 N013 C02E N018 9(2) . . . . ?
C016 P00K C00U C01L 72.8(6) . . . . ?
C016 P00K C00U C015 -108.3(6) . . . . ?
C016 P00K C029 C02H -26.1(7) . . . . ?
C016 P00K C029 C024 162.3(5) . . . . ?
C016 C01C C02X C022 0.0 . . . . ?
C01C C016 C01M C02P 0.0 . . . . ?
C01C C02X C022 C02P 0.0 . . . . ?
C02X C022 C02P C01M 0.0 . . . . ?
C022 C02P C01M C016 0.0 . . . . ?
C01M C016 C01C C02X 0.0 . . . . ?
C019 N00O C00W S00N -172.2(10) . . . . ?
C019 N00O C00W N00R 1.3(19) . . . . ?
C019 N00Q C01A S00D -175.1(10) . . . . ?
C019 N00Q C01A N00R 3.8(19) . . . . ?
C019 N00Z C02T C04D -82.8(18) . . . . ?
C019 N00Z C03A C032 106.6(16) . . . . ?
C01A N00Q C019 N00O -3(2) . . . . ?
C01A N00Q C019 N00Z -178.7(13) . . . . ?
C01A N00R C00W S00N 173.3(10) . . . . ?
C01A N00R C00W N00O 0(2) . . . . ?
C01D P00B C01E C01J 126.9(6) . . . . ?
C01D P00B C01E C01Z -53.9(6) . . . . ?
C01D P00B C02K C01Y 179.8(5) . . . . ?
C01D P00B C02K C034 -3.4(7) . . . . ?
C01D C027 C02U C02S 0.0 . . . . ?
C027 C01D C01R C021 0.0 . . . . ?
C027 C02U C02S C021 0.0 . . . . ?
C02U C02S C021 C01R 0.0 . . . . ?
C02S C021 C01R C01D 0.0 . . . . ?
C01R C01D C027 C02U 0.0 . . . . ?
C01E P00B C01D C027 -39.8(6) . . . . ?
C01E P00B C01D C01R 146.1(5) . . . . ?
C01E P00B C02K C01Y -73.8(6) . . . . ?
C01E P00B C02K C034 103.1(6) . . . . ?
C01E C01J C033 C04F 0.0 . . . . ?
C01J C01E C01Z C03B 0.0 . . . . ?
C01J C033 C04F C03B 0.0 . . . . ?
C033 C04F C03B C01Z 0.0 . . . . ?
C04F C03B C01Z C01E 0.0 . . . . ?
C01Z C01E C01J C033 0.0 . . . . ?
C01F N011 C031 N00X 9(2) . . . . ?
C01F N011 C031 N01S -173.7(13) . . . . ?
C01H C042 C04V C05F 0.0 . . . . ?
C042 C01H C026 P00M 172.1(7) . . . . ?
C042 C01H C026 C04U 0.0 . . . . ?
C042 C04V C05F C04U 0.0 . . . . ?
C04V C05F C04U C026 0.0 . . . . ?
C05F C04U C026 P00M -171.8(8) . . . . ?
C05F C04U C026 C01H 0.0 . . . . ?
C026 P00M C025 C01V 144.6(5) . . . . ?
C026 P00M C025 C050 -37.6(7) . . . . ?
C026 P00M C038 C039 -45.6(6) . . . . ?
C026 P00M C038 C03J 133.8(6) . . . . ?
C026 C01H C042 C04V 0.0 . . . . ?
C01I N010 C01U N00Y 177.4(14) . . . . ?
C01I N010 C01U N01O -2(2) . . . . ?
C01I N014 C02C S00G 170.9(10) . . . . ?
C01I N014 C02C N01O -5(2) . . . . ?
C01K N00X C031 N011 -7(2) . . . . ?
C01K N00X C031 N01S 175.5(13) . . . . ?
C01N N00T C020 S00F 164.6(10) . . . . ?
C01N N00T C020 N00V -7.8(19) . . . . ?
C01N N017 C02M N00V -5.7(19) . . . . ?
C01N N017 C02M N01B 174.5(12) . . . . ?
N01P C04C C1 C3 -174.3(16) . . . . ?
N01S C02W C048 C03P 169.1(12) . . . . ?
N01S C03G C03S C05A 177.5(13) . . . . ?
C01T C02A C02J C03N 0.0 . . . . ?
C02A C01T C02Y P00H -179.1(7) . . . . ?
C02A C01T C02Y C02D 0.0 . . . . ?
C02A C02J C03N C02D 0.0 . . . . ?
C02J C03N C02D C02Y 0.0 . . . . ?
C03N C02D C02Y P00H 179.1(7) . . . . ?
C03N C02D C02Y C01T 0.0 . . . . ?
C02Y P00H C02N C03H -177.0(11) . . . . ?
C02Y P00H C02N C056 10.0(14) . . . . ?
C02Y P00H C02V C02I 136.9(11) . . . . ?
C02Y P00H C02V C03C -51.1(13) . . . . ?
C02Y C01T C02A C02J 0.0 . . . . ?
C01U N00Y C030 C05I -86.2(18) . . . . ?
C01U N00Y C035 C057 -94.6(18) . . . . ?
C01U N010 C01I S00I -171.9(11) . . . . ?
C01U N010 C01I N014 -1(2) . . . . ?
C01U N01O C02C S00G -173.0(11) . . . . ?
C01U N01O C02C N014 3(2) . . . . ?
C01V C03X C040 C04S 0.0 . . . . ?
C03X C01V C025 P00M 177.8(8) . . . . ?
C03X C01V C025 C050 0.0 . . . . ?
C03X C040 C04S C050 0.0 . . . . ?
C040 C04S C050 C025 0.0 . . . . ?
C04S C050 C025 P00M -177.7(8) . . . . ?
C04S C050 C025 C01V 0.0 . . . . ?
C025 P00M C026 C01H -98.6(6) . . . . ?
C025 P00M C026 C04U 73.4(6) . . . . ?
C025 P00M C038 C039 -153.2(6) . . . . ?
C025 P00M C038 C03J 26.3(6) . . . . ?
C025 C01V C03X C040 0.0 . . . . ?
C01X N01B C02G C01Q 97.1(14) . . . . ?
C01X N01B C02M N00V 11(2) . . . . ?
C01X N01B C02M N017 -169.6(12) . . . . ?
C01X C01G C02R C03U -172.3(12) . . . . ?
C01Y C02K C034 C043 0.0 . . . . ?
C02K P00B C01D C027 67.1(6) . . . . ?
C02K P00B C01D C01R -107.0(6) . . . . ?
C02K P00B C01E C01J 19.0(6) . . . . ?
C02K P00B C01E C01Z -161.8(5) . . . . ?
C02K C01Y C03R C04X 0.0 . . . . ?
C02K C034 C043 C04X 0.0 . . . . ?
C034 C043 C04X C03R 0.0 . . . . ?
C043 C04X C03R C01Y 0.0 . . . . ?
C03R C01Y C02K P00B 177.0(7) . . . . ?
C03R C01Y C02K C034 0.0 . . . . ?
C020 N00T C01N S00J -179.7(10) . . . . ?
C020 N00T C01N N017 3.1(19) . . . . ?
C020 N00V C02M N017 1(2) . . . . ?
C020 N00V C02M N01B -178.9(12) . . . . ?
C028 C03Q C04A C039 0.0 . . . . ?
C03Q C028 C03J C038 0.0 . . . . ?
C03Q C04A C039 C038 0.0 . . . . ?
C04A C039 C038 P00M 179.5(7) . . . . ?
C04A C039 C038 C03J 0.0 . . . . ?
C039 C038 C03J C028 0.0 . . . . ?
C038 P00M C026 C01H 156.6(5) . . . . ?
C038 P00M C026 C04U -31.4(7) . . . . ?
C038 P00M C025 C01V -108.9(6) . . . . ?
C038 P00M C025 C050 68.8(7) . . . . ?
C03J C028 C03Q C04A 0.0 . . . . ?
C02C N014 C01I S00I 174.9(10) . . . . ?
C02C N014 C01I N010 4(2) . . . . ?
C02C N01O C01U N00Y -178.6(14) . . . . ?
C02C N01O C01U N010 0(2) . . . . ?
C02E N018 C03L N00S -6(2) . . . . ?
C02E N018 C03L N01P 174.2(13) . . . . ?
C02F C02B C02Z C02H 0.0 . . . . ?
C02B C02F C024 C029 0.0 . . . . ?
C02B C02Z C02H C029 0.0 . . . . ?
C02Z C02H C029 P00K -171.5(8) . . . . ?
C02Z C02H C029 C024 0.0 . . . . ?
C02H C029 C024 C02F 0.0 . . . . ?
C029 P00K C00U C01L -36.3(6) . . . . ?
C029 P00K C00U C015 142.6(5) . . . . ?
C029 P00K C016 C01C -64.2(6) . . . . ?
C029 P00K C016 C01M 113.6(6) . . . . ?
C024 C02F C02B C02Z 0.0 . . . . ?
C02G N01B C01X C01G 86.9(14) . . . . ?
C02G N01B C02M N00V -165.6(12) . . . . ?
C02G N01B C02M N017 14.2(19) . . . . ?
C02G C01Q C02Q C04T -175.5(13) . . . . ?
C02I C02L C047 C02O -1(2) . . . . ?
C02I C02V C03C C02O -1(2) . . . . ?
C02L C02I C02V P00H 171.9(11) . . . . ?
C02L C02I C02V C03C 0(2) . . . . ?
C02M N00V C020 S00F -166.9(10) . . . . ?
C02M N00V C020 N00T 5.4(19) . . . . ?
C02M N017 C01N S00J -173.8(9) . . . . ?
C02M N017 C01N N00T 3.3(18) . . . . ?
C02M N01B C01X C01G -89.5(16) . . . . ?
C02M N01B C02G C01Q -86.5(15) . . . . ?
C02N P00H C02Y C01T 66.1(7) . . . . ?
C02N P00H C02Y C02D -113.0(7) . . . . ?
C02N P00H C02V C02I -115.3(12) . . . . ?
C02N P00H C02V C03C 56.7(13) . . . . ?
C02N C03H C041 C04P -3(2) . . . . ?
C02Q C01Q C02G N01B 175.3(11) . . . . ?
C02R C01G C01X N01B -173.0(11) . . . . ?
C02T N00Z C019 N00O -167.5(14) . . . . ?
C02T N00Z C019 N00Q 9(2) . . . . ?
C02T N00Z C03A C032 -78.9(16) . . . . ?
C02V P00H C02Y C01T 169.1(6) . . . . ?
C02V P00H C02Y C02D -10.0(8) . . . . ?
C02V P00H C02N C03H 72.5(13) . . . . ?
C02V P00H C02N C056 -100.5(13) . . . . ?
C02V C02I C02L C047 1(2) . . . . ?
C02W N01S C031 N00X 174.5(12) . . . . ?
C02W N01S C031 N011 -3(2) . . . . ?
C02W N01S C03G C03S 88.3(16) . . . . ?
C030 N00Y C01U N010 7(2) . . . . ?
C030 N00Y C01U N01O -174.2(14) . . . . ?
C030 N00Y C035 C057 88.5(18) . . . . ?
C031 N00X C01K S00A 171.8(11) . . . . ?
C031 N00X C01K N5 -5(2) . . . . ?
C031 N011 C01F S00C -175.5(11) . . . . ?
C031 N011 C01F N5 1.5(19) . . . . ?
C031 N01S C02W C048 -85.9(17) . . . . ?
C031 N01S C03G C03S -95.1(17) . . . . ?
C035 N00Y C01U N010 -170.2(14) . . . . ?
C035 N00Y C01U N01O 9(2) . . . . ?
C035 N00Y C030 C05I 90.8(18) . . . . ?
C035 C057 C05C CB -82(3) . . . . ?
C035 C057 C05C CA -63(3) . . . . ?
C037 C03P C048 C02W 177.4(13) . . . . ?
C03A N00Z C019 N00O 7(2) . . . . ?
C03A N00Z C019 N00Q -177.2(14) . . . . ?
C03A N00Z C02T C04D 102.4(16) . . . . ?
C03A C032 C046 C051 -174.6(15) . . . . ?
C03C C02O C047 C02L -1(2) . . . . ?
C03G N01S C02W C048 90.8(16) . . . . ?
C03G N01S C031 N00X -2(2) . . . . ?
C03G N01S C031 N011 -179.9(13) . . . . ?
C03G C03S C05A C0 163(3) . . . . ?
C03G C03S C05A C2 171(2) . . . . ?
C03H C02N C056 C044 -6(2) . . . . ?
C03H C041 C04P C044 1(2) . . . . ?
C03L N00S C012 S00E -176.9(11) . . . . ?
C03L N00S C012 N013 -0.3(19) . . . . ?
C03L N018 C02E S00L 178.3(11) . . . . ?
C03L N018 C02E N013 -3(2) . . . . ?
C03L N01P C04C C1 88.0(19) . . . . ?
C03L N01P C04L C04B 93.8(17) . . . . ?
C03Z C04B C04L N01P 178.9(12) . . . . ?
C046 C032 C03A N00Z -170.7(13) . . . . ?
C047 C02O C03C C02V 1(2) . . . . ?
C04C N01P C03L N00S 179.5(14) . . . . ?
C04C N01P C03L N018 0(2) . . . . ?
C04C N01P C04L C04B -94.7(16) . . . . ?
C04C C1 C3 C6B -178(3) . . . . ?
C04C C1 C3 C6A -175(2) . . . . ?
C04L N01P C03L N00S -10(2) . . . . ?
C04L N01P C03L N018 170.7(13) . . . . ?
C04L N01P C04C C1 -83.2(18) . . . . ?
C04M C03Z C04B C04L 71.1(18) . . . . ?
C04P C044 C056 C02N 3(2) . . . . ?
C056 C02N C03H C041 5(2) . . . . ?
C056 C044 C04P C041 -1(2) . . . . ?
C4B C03Y C04D C02T 177(3) . . . . ?
C7B C05H C05I C030 -175(2) . . . . ?
C7A C05H C05I C030 177(2) . . . . ?
C4A C03Y C04D C02T 176(2) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
