# Supplementary Information (SI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2026

####################################################################### 
# 
# 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_mal20250529c_0m
_database_code_depnum_ccdc_archive 'CCDC 2463176'
loop_
_audit_author_name
_audit_author_address
'Along Ma'
;qingdao university of science and technology
China
;
_audit_update_record             
;
2025-06-10 deposited with the CCDC.	2026-01-05 downloaded from the CCDC.
;
_audit_creation_date             2025-06-06
_audit_creation_method           
;
Olex2 1.5
(compiled 2025.05.31 svn.r86d253d1 for OlexSys, GUI svn.r7254)
;
_shelx_SHELXL_version_number     2019/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'C87 H90 Ag7 O9 Pt0.5 S6, C87 H88 Ag7 O9 Pt0.5 S6'
_chemical_formula_sum            'C174 H178 Ag14 O18 Pt S12'
_chemical_formula_weight         4647.14
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   19.759(6)
_cell_length_b                   20.696(6)
_cell_length_c                   22.251(7)
_cell_angle_alpha                88.498(5)
_cell_angle_beta                 88.172(5)
_cell_angle_gamma                84.406(6)
_cell_volume                     9049(5)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9191
_cell_measurement_temperature    296.15
_cell_measurement_theta_max      25.533
_cell_measurement_theta_min      2.240
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    2.443
_exptl_absorpt_correction_T_max  0.0601
_exptl_absorpt_correction_T_min  0.0335
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1331 before and 0.0596 after correction.
The Ratio of minimum to maximum transmission is 0.5574.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.706
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       ?
_exptl_crystal_F_000             4588
_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  0.0581
_diffrn_reflns_av_unetI/netI     0.0448
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            183377
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        24.999
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_min         1.978
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                22671
_reflns_number_total             31878
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_refine_diff_density_max         2.274
_refine_diff_density_min         -1.350
_refine_diff_density_rms         0.144
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.079
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1992
_refine_ls_number_reflns         31878
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0898
_refine_ls_R_factor_gt           0.0564
_refine_ls_restrained_S_all      1.079
_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)+(0.0420P)²+66.1555P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1271
_refine_ls_wR_factor_ref         0.1404
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C024(H02A,H02B), C02O(HH,HI), C02X(H02C,H02D), C02Y(H02H,H02I), C03M(H03A,
 H03B), C03P(HZ,H1), C03V(H4,H5), C046(H04A,H04B), C04A(H8,H9), C04W(H04G,H04H)
2.b Aromatic/amide H refined with riding coordinates:
 C00X(H), C015(H015), C016(H016), C019(HA), C01C(HB), C01E(HC), C01K(H01K),
 C01N(HD), C01O(H01O), C01P(H01P), C01R(H01R), C01T(H01T), C01V(H01V),
 C020(H020), C022(H022), C023(H023), C025(H025), C026(H026), C027(H027),
 C028(H028), C029(H029), C02E(H02E), C02F(H02F), C02G(H02G), C02I(HE),
 C02J(H02J), C02K(HF), C02M(H02M), C02N(HG), C02R(HJ), C02T(H02T), C02U(HK),
 C02Z(H02Z), C030(H030), C031(HL), C034(H034), C035(HM), C036(HN), C037(HO),
 C038(HP), C03B(HQ), C03C(H03C), C03D(HR), C03E(HS), C03F(HT), C03G(H03G),
 C03H(H03H), C03I(HU), C03J(HV), C03L(HW), C03N(HX), C03O(HY), C03R(H2),
 C03T(H03T), C03U(H3), C03X(H03X), C03Y(H6), C03Z(H03Z), C040(H040), C043(H043),
  C044(H044), C045(H045), C047(H7), C048(H048), C049(H049), C04C(H10),
 C04D(H04D), C04E(H11), C04H(H12), C04I(H13), C04K(H14), C04M(H04M), C04O(H15),
 C04P(H16), C04Q(H17), C04R(H04R), C04U(H21), C04V(H04V), C04X(H22), C04Y(H04Y),
  C050(H23), C053(H053), C054(H054), C057(H057), C058(H27), C059(H28),
 C05D(H05J), C05E(H39), C05F(H40), C05H(H41), C05K(H42), C05L(H05Q), C05M(H43),
 C05O(H05R), C05Q(H05S), C05R(H47), C05S(H48), C05T(H49), C05U(H50), C05V(H05V),
  C05Z(H55), C060(H56), C064(H59), C065(H60), C32(H32)
2.c X=CH2 refined with riding coordinates:
 C061(H57,H58)
2.d Idealised Me refined as rotating group:
 C04S(H04C,H04E,H04F), C04T(H18,H19,H20), C051(H05A,H05B,H05C), C052(H05D,H05E,
 H05F), C055(H24,H25,H26), C056(H05G,H05H,H05I), C05A(H29,H30,H31), C05B(H33,
 H34,H35), C05C(H36,H37,H38), C05G(H05K,H05L,H05M), C05I(H05N,H05O,H05P),
 C05N(H44,H45,H46), C05W(H51,H52,H53), C05X(H05T,H05U,H05W), C05Y(H05X,H05Y,
 H54), C063(H06A,H06B,H06C), C33(H61,H62,H63)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_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
Pt01 Pt 0.000000 0.500000 0.000000 0.03871(11) Uani 1 2 d S . P . .
Pt02 Pt 0.500000 0.000000 0.500000 0.04274(12) Uani 1 2 d S . P . .
Ag03 Ag -0.09853(3) 0.42439(3) 0.04149(3) 0.04282(15) Uani 1 1 d . . . . .
Ag04 Ag -0.11292(3) 0.56538(3) 0.05481(3) 0.04523(16) Uani 1 1 d . . . . .
Ag05 Ag 0.11847(3) 0.49156(3) 0.06135(3) 0.04396(15) Uani 1 1 d . . . . .
Ag06 Ag 0.02069(3) 0.60494(3) 0.06814(3) 0.04460(16) Uani 1 1 d . . . . .
Ag07 Ag 0.04336(3) 0.38049(3) 0.04895(3) 0.04430(15) Uani 1 1 d . . . . .
Ag08 Ag -0.01405(3) 0.48498(3) 0.12280(3) 0.04483(16) Uani 1 1 d . . . . .
Ag09 Ag 0.36311(3) 0.03623(3) 0.48746(3) 0.04874(17) Uani 1 1 d . . . . .
Ag0A Ag 0.43340(3) -0.06945(3) 0.42081(3) 0.04760(16) Uani 1 1 d . . . . .
Ag0B Ag 0.58986(4) 0.08182(3) 0.45367(3) 0.04866(17) Uani 1 1 d . . . . .
Ag0C Ag 0.56987(3) -0.03779(3) 0.39680(3) 0.04880(17) Uani 1 1 d . . . . .
Ag0D Ag 0.45702(4) 0.13039(3) 0.50734(3) 0.05006(17) Uani 1 1 d . . . . .
Ag0E Ag 0.46326(4) 0.06594(3) 0.39487(3) 0.05133(17) Uani 1 1 d . . . . .
Ag0F Ag -0.07766(4) 0.60910(4) 0.17593(3) 0.05437(18) Uani 1 1 d . . . . .
Ag0G Ag 0.34315(4) 0.16147(4) 0.42160(4) 0.0615(2) Uani 1 1 d . . . . .
S00H S -0.18714(12) 0.35397(12) 0.07012(11) 0.0514(6) Uani 1 1 d . . . . .
S00I S 0.22501(12) 0.47495(12) 0.11452(11) 0.0539(6) Uani 1 1 d . . . . .
S00J S -0.18574(12) 0.63643(12) 0.12233(11) 0.0546(6) Uani 1 1 d . . . . .
S00K S -0.04634(13) 0.50265(13) 0.22925(10) 0.0571(6) Uani 1 1 d . . . . .
S00L S 0.38124(13) -0.13728(12) 0.35000(11) 0.0555(6) Uani 1 1 d . . . . .
S00M S 0.38469(13) 0.23472(12) 0.49729(12) 0.0581(6) Uani 1 1 d . . . . .
S00N S 0.02010(12) 0.67706(12) 0.15477(11) 0.0536(6) Uani 1 1 d . . . . .
S00O S 0.25169(13) 0.09125(13) 0.46069(11) 0.0572(6) Uani 1 1 d . . . . .
S00P S 0.63128(13) -0.06672(13) 0.30332(11) 0.0588(6) Uani 1 1 d . . . . .
S00Q S 0.07598(13) 0.27516(12) 0.09769(11) 0.0555(6) Uani 1 1 d . . . . .
S00R S 0.67342(15) 0.15603(13) 0.42215(12) 0.0650(7) Uani 1 1 d . . . . .
S00S S 0.40125(17) 0.13627(14) 0.32081(12) 0.0731(8) Uani 1 1 d . . . . .
O00T O -0.2416(4) 0.1743(4) -0.1241(3) 0.079(2) Uani 1 1 d . . . . .
O00U O 0.9286(4) -0.0404(4) 0.3202(3) 0.074(2) Uani 1 1 d . . . . .
O00W O -0.1274(4) 0.1814(4) 0.2846(3) 0.071(2) Uani 1 1 d . . . . .
C00X C 0.0865(4) -0.1753(5) 0.3781(4) 0.047(2) Uani 1 1 d . . . . .
H H 0.055355 -0.146190 0.358370 0.057 Uiso 1 1 calc R U . . .
O00Y O -0.0069(4) 0.2610(4) 0.3574(3) 0.082(2) Uani 1 1 d . . . . .
O00Z O 0.6954(5) 0.1736(4) 0.1547(3) 0.084(2) Uani 1 1 d . . . . .
O010 O -0.0653(4) 0.0627(3) -0.0033(4) 0.080(2) Uani 1 1 d . . . . .
O011 O 0.3748(4) 0.7049(4) 0.1588(4) 0.082(2) Uani 1 1 d . . . . .
C012 C 0.2911(5) -0.1487(5) 0.3592(4) 0.052(2) Uani 1 1 d . . . . .
O013 O 0.4320(4) 0.2979(4) -0.0175(4) 0.095(3) Uani 1 1 d . . . . .
O014 O 0.9593(4) 0.0807(5) 0.4941(4) 0.092(3) Uani 1 1 d . . . . .
C015 C 0.3026(5) 0.5747(4) 0.0817(4) 0.054(2) Uani 1 1 d . . . . .
H015 H 0.300090 0.558390 0.043321 0.065 Uiso 1 1 calc R U . . .
C016 C -0.0011(5) 0.2210(5) 0.0133(4) 0.053(2) Uani 1 1 d . . . . .
H016 H -0.002401 0.261648 -0.005661 0.063 Uiso 1 1 calc R U . . .
O017 O 0.5524(5) 0.1054(5) 0.0930(4) 0.100(3) Uani 1 1 d . . . . .
C018 C 0.3877(5) -0.1028(4) 0.2744(4) 0.051(2) Uani 1 1 d . . . . .
C019 C 0.2709(5) -0.1979(5) 0.3977(4) 0.056(2) Uani 1 1 d . . . . .
HA H 0.303700 -0.224321 0.418274 0.067 Uiso 1 1 calc R U . . .
C01A C -0.1721(4) 0.3000(4) 0.1348(4) 0.047(2) Uani 1 1 d . . . . .
O01B O 0.5222(5) -0.4059(4) 0.3425(4) 0.090(3) Uani 1 1 d . . . . .
C01C C 0.7491(5) -0.0522(5) 0.3632(4) 0.058(2) Uani 1 1 d . . . . .
HB H 0.720673 -0.051856 0.397345 0.070 Uiso 1 1 calc R U . . .
C01D C 0.1648(5) 0.2470(5) 0.0958(4) 0.053(2) Uani 1 1 d . . . . .
C01E C 0.3997(5) -0.0394(5) 0.2656(5) 0.060(3) Uani 1 1 d . . . . .
HC H 0.407011 -0.015263 0.299030 0.072 Uiso 1 1 calc R U . . .
O01F O 0.3907(5) -0.0203(4) 0.1034(4) 0.096(3) Uani 1 1 d . . . . .
C01G C -0.2716(4) 0.3959(5) 0.0844(4) 0.050(2) Uani 1 1 d . . . . .
C01H C 0.0348(4) 0.2100(4) 0.0648(4) 0.050(2) Uani 1 1 d . . . . .
O01I O 0.3725(4) 0.1883(4) 0.0841(4) 0.090(3) Uani 1 1 d . . . . .
C01J C 0.6254(5) -0.1483(5) 0.2771(4) 0.059(3) Uani 1 1 d . . . . .
C01K C -0.1858(5) 0.2663(5) -0.0924(4) 0.058(3) Uani 1 1 d . . . . .
H01K H -0.165429 0.271999 -0.130218 0.070 Uiso 1 1 calc R U . . .
O01L O -0.4680(4) 0.4851(5) 0.0972(5) 0.107(3) Uani 1 1 d . . . . .
C01M C -0.1409(5) 0.2177(5) 0.2333(5) 0.057(2) Uani 1 1 d . . . . .
C01N C 0.8173(5) -0.0460(5) 0.3694(4) 0.062(3) Uani 1 1 d . . . . .
HD H 0.834642 -0.042183 0.407408 0.074 Uiso 1 1 calc R U . . .
C01O C -0.0357(5) 0.1730(5) -0.0115(4) 0.056(2) Uani 1 1 d . . . . .
H01O H -0.060283 0.181623 -0.046228 0.067 Uiso 1 1 calc R U . . .
C01P C -0.1745(5) 0.3068(4) -0.0465(4) 0.052(2) Uani 1 1 d . . . . .
H01P H -0.147878 0.340942 -0.054334 0.062 Uiso 1 1 calc R U . . .
C01Q C -0.2014(5) 0.2984(4) 0.0103(4) 0.052(2) Uani 1 1 d . . . . .
C01R C 0.1466(5) 0.4290(5) 0.2089(4) 0.062(3) Uani 1 1 d . . . . .
H01R H 0.109990 0.448024 0.187313 0.074 Uiso 1 1 calc R U . . .
C01S C 0.7219(5) -0.0589(4) 0.3080(4) 0.050(2) Uani 1 1 d . . . . .
C01T C -0.1311(5) 0.2422(4) 0.1285(5) 0.056(2) Uani 1 1 d . . . . .
H01T H -0.113799 0.230865 0.090437 0.067 Uiso 1 1 calc R U . . .
C01U C 0.6821(5) 0.1657(5) 0.3414(4) 0.054(2) Uani 1 1 d . . . . .
C01V C 0.3383(5) 0.6285(5) 0.0892(4) 0.058(2) Uani 1 1 d . . . . .
H01V H 0.359615 0.647849 0.056477 0.069 Uiso 1 1 calc R U . . .
C01W C 0.2708(4) 0.5447(5) 0.1296(4) 0.053(2) Uani 1 1 d . . . . .
O01X O 0.5915(5) -0.3270(4) 0.2115(5) 0.109(3) Uani 1 1 d . . . . .
C01Y C 0.0521(5) 0.2716(4) 0.1772(4) 0.052(2) Uani 1 1 d . . . . .
C01Z C 0.2894(4) 0.4225(5) 0.0750(4) 0.057(2) Uani 1 1 d . . . . .
C020 C 0.0377(5) 0.1487(5) 0.0906(5) 0.067(3) Uani 1 1 d . . . . .
H020 H 0.063122 0.139848 0.124787 0.080 Uiso 1 1 calc R U . . .
C021 C -0.2269(5) 0.2178(5) -0.0824(5) 0.062(3) Uani 1 1 d . . . . .
C022 C 0.2097(5) 0.2698(5) 0.1345(5) 0.065(3) Uani 1 1 d . . . . .
H022 H 0.192414 0.299425 0.163119 0.078 Uiso 1 1 calc R U . . .
C023 C -0.1985(5) 0.3153(5) 0.1918(4) 0.054(2) Uani 1 1 d . . . . .
H023 H -0.227111 0.353172 0.197449 0.065 Uiso 1 1 calc R U . . .
C024 C -0.1731(5) 0.7171(5) 0.0921(4) 0.062(3) Uani 1 1 d . . . . .
H02A H -0.126874 0.717010 0.075989 0.074 Uiso 1 1 calc R U . . .
H02B H -0.203739 0.727518 0.059314 0.074 Uiso 1 1 calc R U . . .
C025 C -0.1824(5) 0.2747(5) 0.2396(4) 0.058(2) Uani 1 1 d . . . . .
H025 H -0.199979 0.285799 0.277600 0.070 Uiso 1 1 calc R U . . .
C026 C -0.0203(5) 0.3132(5) 0.2590(5) 0.059(2) Uani 1 1 d . . . . .
H026 H -0.055570 0.342470 0.273187 0.071 Uiso 1 1 calc R U . . .
C027 C 0.0835(5) 0.2256(5) 0.2170(5) 0.065(3) Uani 1 1 d . . . . .
H027 H 0.118666 0.195976 0.203260 0.078 Uiso 1 1 calc R U . . .
C028 C 0.0007(5) 0.3156(5) 0.1991(4) 0.056(2) Uani 1 1 d . . . . .
H028 H -0.019903 0.347124 0.173330 0.067 Uiso 1 1 calc R U . . .
C029 C -0.1155(5) 0.2014(5) 0.1760(5) 0.061(3) Uani 1 1 d . . . . .
H029 H -0.087917 0.162890 0.170230 0.073 Uiso 1 1 calc R U . . .
C02A C 0.4222(5) -0.2197(5) 0.3485(4) 0.055(2) Uani 1 1 d . . . . .
C02B C 0.2127(5) 0.4351(5) 0.1869(4) 0.056(2) Uani 1 1 d . . . . .
C02C C 0.0108(6) 0.2678(5) 0.2970(4) 0.064(3) Uani 1 1 d . . . . .
C02D C 0.8598(5) -0.0455(5) 0.3191(5) 0.059(3) Uani 1 1 d . . . . .
C02E C 0.0044(6) 0.0999(5) 0.0675(5) 0.068(3) Uani 1 1 d . . . . .
H02E H 0.006875 0.058939 0.085901 0.082 Uiso 1 1 calc R U . . .
C02F C -0.3478(6) 0.4940(5) 0.0781(5) 0.066(3) Uani 1 1 d . . . . .
H02F H -0.354358 0.538693 0.071730 0.080 Uiso 1 1 calc R U . . .
C02G C -0.2817(5) 0.4611(5) 0.0738(4) 0.058(2) Uani 1 1 d . . . . .
H02G H -0.244746 0.484208 0.063523 0.070 Uiso 1 1 calc R U . . .
C02H C 0.6040(5) -0.0164(5) 0.2385(4) 0.061(3) Uani 1 1 d . . . . .
C02I C 0.6505(5) 0.2164(5) 0.3082(5) 0.064(3) Uani 1 1 d . . . . .
HE H 0.625136 0.250104 0.327902 0.077 Uiso 1 1 calc R U . . .
C02J C 0.2694(5) 0.3845(5) 0.0300(5) 0.063(3) Uani 1 1 d . . . . .
H02J H 0.223558 0.387756 0.020946 0.076 Uiso 1 1 calc R U . . .
C02K C 0.5157(6) -0.2957(5) 0.3795(5) 0.066(3) Uani 1 1 d . . . . .
HF H 0.555323 -0.303999 0.400951 0.079 Uiso 1 1 calc R U . . .
C02L C 0.7602(6) 0.1357(6) 0.4450(5) 0.068(3) Uani 1 1 d . . . . .
C02M C 0.1936(5) 0.2006(5) 0.0546(5) 0.063(3) Uani 1 1 d . . . . .
H02M H 0.165671 0.181857 0.028512 0.075 Uiso 1 1 calc R U . . .
C02N C 0.3752(5) -0.1374(5) 0.2231(4) 0.062(3) Uani 1 1 d . . . . .
HG H 0.365010 -0.180276 0.227407 0.074 Uiso 1 1 calc R U . . .
C02O C 0.3234(5) 0.2292(5) 0.5592(5) 0.062(3) Uani 1 1 d . . . . .
HH H 0.317046 0.183922 0.567590 0.074 Uiso 1 1 calc R U . . .
HI H 0.341097 0.246622 0.594956 0.074 Uiso 1 1 calc R U . . .
C02P C 0.6937(5) 0.1693(5) 0.2159(4) 0.060(3) Uani 1 1 d . . . . .
C02Q C 0.6074(7) -0.2695(6) 0.2335(5) 0.076(3) Uani 1 1 d . . . . .
C02R C 0.4017(6) -0.0092(5) 0.2098(5) 0.069(3) Uani 1 1 d . . . . .
HJ H 0.410349 0.034086 0.205643 0.083 Uiso 1 1 calc R U . . .
C02S C 0.3415(5) 0.6523(5) 0.1459(5) 0.064(3) Uani 1 1 d . . . . .
C02T C 0.0626(6) 0.2240(5) 0.2763(5) 0.069(3) Uani 1 1 d . . . . .
H02T H 0.083399 0.193183 0.302666 0.083 Uiso 1 1 calc R U . . .
C02U C 0.6791(6) -0.1968(5) 0.2740(5) 0.066(3) Uani 1 1 d . . . . .
HK H 0.721670 -0.188342 0.286692 0.079 Uiso 1 1 calc R U . . .
C02V C 0.4914(6) -0.3446(5) 0.3474(5) 0.069(3) Uani 1 1 d . . . . .
C02W C -0.0329(5) 0.1134(5) 0.0161(5) 0.060(3) Uani 1 1 d . . . . .
C02X C 0.0855(5) 0.6346(5) 0.2005(4) 0.057(2) Uani 1 1 d . . . . .
H02C H 0.082973 0.588251 0.197699 0.068 Uiso 1 1 calc R U . . .
H02D H 0.129727 0.644229 0.184500 0.068 Uiso 1 1 calc R U . . .
C02Y C -0.1283(6) 0.4693(6) 0.2347(5) 0.079(3) Uani 1 1 d . . . . .
H02H H -0.145796 0.468248 0.194555 0.094 Uiso 1 1 calc R U . . .
H02I H -0.120980 0.424725 0.249570 0.094 Uiso 1 1 calc R U . . .
C02Z C 0.3579(5) 0.4182(6) 0.0862(5) 0.069(3) Uani 1 1 d . . . . .
H02Z H 0.373204 0.443676 0.115729 0.083 Uiso 1 1 calc R U . . .
C030 C 0.1344(6) 0.3959(6) 0.2609(5) 0.075(3) Uani 1 1 d . . . . .
H030 H 0.089948 0.392810 0.274921 0.090 Uiso 1 1 calc R U . . .
C031 C 0.8338(5) -0.0504(5) 0.2631(5) 0.063(3) Uani 1 1 d . . . . .
HL H 0.862215 -0.048822 0.229085 0.075 Uiso 1 1 calc R U . . .
O032 O 0.1700(6) 0.3339(5) 0.3440(4) 0.114(3) Uani 1 1 d . . . . .
C033 C 0.2056(6) 0.2666(6) 0.5985(5) 0.074(3) Uani 1 1 d . . . . .
C034 C -0.3270(5) 0.3633(6) 0.1012(6) 0.076(3) Uani 1 1 d . . . . .
H034 H -0.320424 0.318952 0.109957 0.091 Uiso 1 1 calc R U . . .
C035 C 0.6704(6) -0.2576(5) 0.2523(5) 0.071(3) Uani 1 1 d . . . . .
HM H 0.706628 -0.289781 0.250579 0.085 Uiso 1 1 calc R U . . .
C036 C 0.2037(5) -0.2083(5) 0.4057(4) 0.060(3) Uani 1 1 d . . . . .
HN H 0.191297 -0.241365 0.431719 0.072 Uiso 1 1 calc R U . . .
C037 C 0.4805(5) -0.2339(5) 0.3794(5) 0.066(3) Uani 1 1 d . . . . .
HO H 0.497232 -0.201431 0.401136 0.079 Uiso 1 1 calc R U . . .
C038 C 0.2409(5) -0.1093(5) 0.3290(4) 0.058(2) Uani 1 1 d . . . . .
HP H 0.253748 -0.076147 0.303341 0.070 Uiso 1 1 calc R U . . .
C039 C 0.1758(6) 0.0733(5) 0.2915(5) 0.069(3) Uani 1 1 d . . . . .
C03A C -0.1799(6) 0.8351(5) 0.1141(4) 0.062(3) Uani 1 1 d . . . . .
C03B C 0.7763(6) 0.0873(5) 0.4872(4) 0.066(3) Uani 1 1 d . . . . .
HQ H 0.741899 0.065090 0.505153 0.079 Uiso 1 1 calc R U . . .
C03C C 0.3143(5) 0.3414(5) -0.0025(5) 0.068(3) Uani 1 1 d . . . . .
H03C H 0.299178 0.316579 -0.032661 0.082 Uiso 1 1 calc R U . . .
C03D C 0.5786(5) 0.0471(5) 0.2455(5) 0.063(3) Uani 1 1 d . . . . .
HR H 0.573595 0.063845 0.283910 0.075 Uiso 1 1 calc R U . . .
C03E C 0.3976(5) -0.2698(5) 0.3166(5) 0.065(3) Uani 1 1 d . . . . .
HS H 0.357205 -0.261965 0.296049 0.078 Uiso 1 1 calc R U . . .
C03F C 0.5602(5) 0.0869(6) 0.1959(5) 0.071(3) Uani 1 1 d . . . . .
HT H 0.542842 0.129853 0.200966 0.086 Uiso 1 1 calc R U . . .
C03G C 0.2778(5) 0.2514(6) 0.1333(5) 0.073(3) Uani 1 1 d . . . . .
H03G H 0.305988 0.268204 0.160414 0.088 Uiso 1 1 calc R U . . .
C03H C -0.2417(6) 0.2473(5) 0.0205(5) 0.069(3) Uani 1 1 d . . . . .
H03H H -0.259946 0.239765 0.058807 0.082 Uiso 1 1 calc R U . . .
C03I C 0.6559(6) 0.2182(5) 0.2458(5) 0.066(3) Uani 1 1 d . . . . .
HU H 0.633754 0.252680 0.224212 0.079 Uiso 1 1 calc R U . . .
C03J C 0.4324(6) -0.3297(5) 0.3156(5) 0.073(3) Uani 1 1 d . . . . .
HV H 0.416157 -0.361666 0.292885 0.088 Uiso 1 1 calc R U . . .
C03K C 0.1359(6) 0.6226(6) 0.3027(4) 0.064(3) Uani 1 1 d . . . . .
C03L C 0.6104(6) -0.0397(6) 0.1806(4) 0.074(3) Uani 1 1 d . . . . .
HW H 0.627651 -0.082676 0.175123 0.089 Uiso 1 1 calc R U . . .
C03M C 0.0792(6) 0.6528(6) 0.2658(5) 0.076(3) Uani 1 1 d . . . . .
H03A H 0.077680 0.699664 0.268329 0.092 Uiso 1 1 calc R U . . .
H03B H 0.036606 0.639811 0.282660 0.092 Uiso 1 1 calc R U . . .
C03N C 0.7266(6) 0.1175(5) 0.2483(5) 0.065(3) Uani 1 1 d . . . . .
HX H 0.752365 0.083912 0.228613 0.079 Uiso 1 1 calc R U . . .
C03O C 0.7201(5) 0.1172(5) 0.3098(5) 0.064(3) Uani 1 1 d . . . . .
HY H 0.742346 0.082833 0.331415 0.077 Uiso 1 1 calc R U . . .
C03P C 0.2547(6) 0.2663(6) 0.5454(5) 0.085(4) Uani 1 1 d . . . . .
HZ H 0.261636 0.310759 0.533790 0.102 Uiso 1 1 calc R U . . .
H1 H 0.235299 0.246591 0.511765 0.102 Uiso 1 1 calc R U . . .
C03Q C -0.4012(5) 0.4598(7) 0.0915(5) 0.078(3) Uani 1 1 d . . . . .
C03R C 0.8428(6) 0.0712(5) 0.5033(5) 0.071(3) Uani 1 1 d . . . . .
H2 H 0.852551 0.039572 0.533052 0.085 Uiso 1 1 calc R U . . .
C03S C 0.5685(6) 0.0609(8) 0.1389(5) 0.083(4) Uani 1 1 d . . . . .
C03T C 0.2622(6) 0.1827(5) 0.0526(5) 0.071(3) Uani 1 1 d . . . . .
H03T H 0.280494 0.153037 0.024397 0.085 Uiso 1 1 calc R U . . .
C03U C 0.7651(5) -0.0576(5) 0.2572(4) 0.057(2) Uani 1 1 d . . . . .
H3 H 0.747936 -0.061669 0.219164 0.069 Uiso 1 1 calc R U . . .
C03V C 0.2345(5) 0.0546(5) 0.3895(5) 0.068(3) Uani 1 1 d . . . . .
H4 H 0.277137 0.039182 0.369611 0.081 Uiso 1 1 calc R U . . .
H5 H 0.208667 0.017604 0.397485 0.081 Uiso 1 1 calc R U . . .
C03W C 0.8947(6) 0.1014(6) 0.4759(5) 0.073(3) Uani 1 1 d . . . . .
C03X C 0.4049(5) 0.3765(6) 0.0542(6) 0.075(3) Uani 1 1 d . . . . .
H03X H 0.451158 0.375117 0.061288 0.090 Uiso 1 1 calc R U . . .
C03Y C 0.3779(6) -0.1092(5) 0.1674(5) 0.071(3) Uani 1 1 d . . . . .
H6 H 0.371307 -0.133309 0.133776 0.085 Uiso 1 1 calc R U . . .
C03Z C -0.3900(6) 0.3935(6) 0.1053(6) 0.087(4) Uani 1 1 d . . . . .
H03Z H -0.426327 0.370344 0.117304 0.105 Uiso 1 1 calc R U . . .
C040 C 0.2649(6) 0.4070(6) 0.2209(5) 0.071(3) Uani 1 1 d . . . . .
H040 H 0.309497 0.410809 0.207697 0.085 Uiso 1 1 calc R U . . .
O041 O 0.1526(7) -0.1685(6) 0.3742(5) 0.130(4) Uani 1 1 d . . . . .
C042 C 0.3905(6) -0.0446(5) 0.1605(4) 0.065(3) Uani 1 1 d . . . . .
C043 C 0.3080(5) 0.6236(6) 0.1940(5) 0.071(3) Uani 1 1 d . . . . .
H043 H 0.309328 0.640804 0.232134 0.085 Uiso 1 1 calc R U . . .
C044 C -0.1190(6) 0.8614(6) 0.1049(5) 0.080(3) Uani 1 1 d . . . . .
H044 H -0.078701 0.837054 0.114965 0.096 Uiso 1 1 calc R U . . .
C045 C 0.1376(6) 0.5586(6) 0.3194(5) 0.078(3) Uani 1 1 d . . . . .
H045 H 0.102230 0.534718 0.309577 0.094 Uiso 1 1 calc R U . . .
C046 C -0.1852(8) 0.7679(5) 0.1384(5) 0.089(4) Uani 1 1 d . . . . .
H04A H -0.152518 0.758755 0.169790 0.107 Uiso 1 1 calc R U . . .
H04B H -0.230289 0.765594 0.156468 0.107 Uiso 1 1 calc R U . . .
C047 C 0.5924(6) -0.0022(7) 0.1314(5) 0.083(4) Uani 1 1 d . . . . .
H7 H 0.596391 -0.019518 0.093137 0.099 Uiso 1 1 calc R U . . .
C048 C -0.2544(6) 0.2082(5) -0.0259(5) 0.073(3) Uani 1 1 d . . . . .
H048 H -0.282043 0.174705 -0.018932 0.088 Uiso 1 1 calc R U . . .
C049 C 0.2534(7) 0.3732(6) 0.2739(6) 0.086(4) Uani 1 1 d . . . . .
H049 H 0.289464 0.354803 0.296555 0.103 Uiso 1 1 calc R U . . .
C04A C 0.1952(6) 0.1027(5) 0.3490(5) 0.073(3) Uani 1 1 d . . . . .
H8 H 0.222386 0.138304 0.339305 0.088 Uiso 1 1 calc R U . . .
H9 H 0.154171 0.120337 0.370344 0.088 Uiso 1 1 calc R U . . .
C04B C 0.3811(6) 0.3371(5) 0.0115(6) 0.075(3) Uani 1 1 d . . . . .
C04C C 0.5537(6) -0.2217(6) 0.2375(6) 0.082(3) Uani 1 1 d . . . . .
H10 H 0.510668 -0.230241 0.225970 0.098 Uiso 1 1 calc R U . . .
C04D C 0.2737(5) 0.5711(5) 0.1864(4) 0.064(3) Uani 1 1 d . . . . .
H04D H 0.251849 0.552522 0.219210 0.077 Uiso 1 1 calc R U . . .
C04E C 0.1140(6) 0.2659(6) 0.6966(6) 0.085(4) Uani 1 1 d . . . . .
H11 H 0.083450 0.265450 0.729237 0.102 Uiso 1 1 calc R U . . .
C04F C 0.6455(8) 0.2370(5) 0.4502(5) 0.079(4) Uani 1 1 d . . . . .
C04G C 0.1871(7) 0.3675(6) 0.2923(5) 0.078(3) Uani 1 1 d . . . . .
C04H C 0.1134(8) 0.0497(6) 0.2881(7) 0.096(4) Uani 1 1 d . . . . .
H12 H 0.084532 0.053050 0.321993 0.116 Uiso 1 1 calc R U . . .
C04I C 0.1652(7) 0.2169(6) 0.6081(5) 0.084(4) Uani 1 1 d . . . . .
H13 H 0.168360 0.182615 0.581673 0.101 Uiso 1 1 calc R U . . .
C04J C 0.3039(5) 0.2078(6) 0.0913(6) 0.074(3) Uani 1 1 d . . . . .
C04K C 0.6639(14) 0.3415(11) 0.4921(9) 0.145(11) Uani 1 1 d . . . . .
H14 H 0.692698 0.370301 0.506162 0.174 Uiso 1 1 calc R U . . .
O04L O 0.5522(6) 0.4224(7) 0.5106(6) 0.147(4) Uani 1 1 d . . . . .
C04M C -0.2372(6) 0.8747(6) 0.0991(5) 0.073(3) Uani 1 1 d . . . . .
H04M H -0.279354 0.858891 0.105364 0.087 Uiso 1 1 calc R U . . .
C04N C -0.2420(6) 0.4701(6) 0.2854(5) 0.072(3) Uani 1 1 d . . . . .
C04O C 0.5633(6) -0.1625(6) 0.2581(5) 0.077(3) Uani 1 1 d . . . . .
H15 H 0.526773 -0.130527 0.259514 0.092 Uiso 1 1 calc R U . . .
C04P C 0.1745(5) -0.1181(6) 0.3358(5) 0.065(3) Uani 1 1 d . . . . .
H16 H 0.142508 -0.090798 0.315223 0.077 Uiso 1 1 calc R U . . .
C04Q C 0.6889(9) 0.2794(6) 0.4697(5) 0.108(5) Uani 1 1 d . . . . .
H17 H 0.735504 0.267505 0.468196 0.130 Uiso 1 1 calc R U . . .
C04R C -0.2906(7) 0.4719(7) 0.2458(6) 0.092(4) Uani 1 1 d . . . . .
H04R H -0.282354 0.494277 0.209917 0.110 Uiso 1 1 calc R U . . .
C04S C -0.1059(7) 0.0741(6) -0.0545(5) 0.093(4) Uani 1 1 d . . . . .
H04C H -0.078022 0.086194 -0.088262 0.139 Uiso 1 1 calc R U . . .
H04E H -0.140945 0.108557 -0.046564 0.139 Uiso 1 1 calc R U . . .
H04F H -0.126261 0.035309 -0.063287 0.139 Uiso 1 1 calc R U . . .
C04T C 0.9594(6) -0.0439(6) 0.3765(5) 0.085(4) Uani 1 1 d . . . . .
H18 H 1.007123 -0.039690 0.371018 0.127 Uiso 1 1 calc R U . . .
H19 H 0.953028 -0.084992 0.395863 0.127 Uiso 1 1 calc R U . . .
H20 H 0.938906 -0.009462 0.401148 0.127 Uiso 1 1 calc R U . . .
C04U C 0.1997(7) 0.3159(6) 0.6387(6) 0.093(4) Uani 1 1 d . . . . .
H21 H 0.226429 0.350368 0.633648 0.112 Uiso 1 1 calc R U . . .
C04V C 0.2424(6) 0.6273(7) 0.3499(5) 0.083(4) Uani 1 1 d . . . . .
H04V H 0.277166 0.651407 0.360960 0.100 Uiso 1 1 calc R U . . .
C04W C -0.1803(6) 0.5040(7) 0.2733(7) 0.104(5) Uani 1 1 d . . . . .
H04G H -0.193746 0.545990 0.254605 0.125 Uiso 1 1 calc R U . . .
H04H H -0.160344 0.511820 0.311414 0.125 Uiso 1 1 calc R U . . .
C04X C 0.5765(9) 0.2565(7) 0.4541(7) 0.108(5) Uani 1 1 d . . . . .
H22 H 0.545640 0.228089 0.443266 0.129 Uiso 1 1 calc R U . . .
C04Y C -0.1169(8) 0.9237(7) 0.0808(6) 0.095(4) Uani 1 1 d . . . . .
H04Y H -0.074981 0.939960 0.073855 0.115 Uiso 1 1 calc R U . . .
C04Z C 0.4370(7) 0.3294(7) 0.2956(7) 0.095(4) Uani 1 1 d . . . . .
C050 C 0.1199(6) 0.2171(6) 0.6565(6) 0.081(3) Uani 1 1 d . . . . .
H23 H 0.092711 0.183030 0.661820 0.098 Uiso 1 1 calc R U . . .
C051 C -0.0874(7) 0.1208(6) 0.2767(6) 0.090(4) Uani 1 1 d . . . . .
H05A H -0.108464 0.095538 0.248306 0.136 Uiso 1 1 calc R U . . .
H05B H -0.084164 0.097479 0.314563 0.136 Uiso 1 1 calc R U . . .
H05C H -0.042645 0.128492 0.261947 0.136 Uiso 1 1 calc R U . . .
C052 C 0.4172(6) 0.7280(6) 0.1129(6) 0.089(4) Uani 1 1 d . . . . .
H05D H 0.390036 0.745945 0.080408 0.133 Uiso 1 1 calc R U . . .
H05E H 0.448347 0.692863 0.098585 0.133 Uiso 1 1 calc R U . . .
H05F H 0.442309 0.761037 0.128444 0.133 Uiso 1 1 calc R U . . .
C053 C 0.1894(6) 0.6566(6) 0.3175(5) 0.077(3) Uani 1 1 d . . . . .
H053 H 0.189684 0.699889 0.305318 0.093 Uiso 1 1 calc R U . . .
C054 C 0.2443(7) 0.5630(7) 0.3661(5) 0.090(4) Uani 1 1 d . . . . .
H054 H 0.280815 0.542678 0.386979 0.108 Uiso 1 1 calc R U . . .
C055 C 0.7299(7) 0.1195(6) 0.1239(5) 0.092(4) Uani 1 1 d . . . . .
H24 H 0.720097 0.123224 0.081952 0.138 Uiso 1 1 calc R U . . .
H25 H 0.714728 0.079938 0.140467 0.138 Uiso 1 1 calc R U . . .
H26 H 0.778051 0.119147 0.128797 0.138 Uiso 1 1 calc R U . . .
C056 C -0.0612(8) 0.3062(7) 0.3805(6) 0.110(5) Uani 1 1 d . . . . .
H05G H -0.102244 0.301057 0.359910 0.165 Uiso 1 1 calc R U . . .
H05H H -0.049214 0.349784 0.374053 0.165 Uiso 1 1 calc R U . . .
H05I H -0.068207 0.297932 0.422739 0.165 Uiso 1 1 calc R U . . .
C057 C 0.1918(7) 0.5292(6) 0.3509(6) 0.091(4) Uani 1 1 d . . . . .
H057 H 0.192474 0.485525 0.361971 0.109 Uiso 1 1 calc R U . . .
C058 C 0.8794(7) 0.1492(7) 0.4334(5) 0.091(4) Uani 1 1 d . . . . .
H27 H 0.914366 0.170336 0.415213 0.109 Uiso 1 1 calc R U . . .
C059 C 0.1531(8) 0.3142(7) 0.6877(7) 0.108(5) Uani 1 1 d . . . . .
H28 H 0.149431 0.348023 0.714685 0.130 Uiso 1 1 calc R U . . .
C05A C 0.0660(6) -0.2241(8) 0.4105(7) 0.119(6) Uani 1 1 d . . . . .
H29 H 0.085243 -0.264330 0.393738 0.178 Uiso 1 1 calc R U . . .
H30 H 0.017263 -0.222258 0.410437 0.178 Uiso 1 1 calc R U . . .
H31 H 0.080539 -0.221495 0.451071 0.178 Uiso 1 1 calc R U . . .
C05B C 0.5838(7) -0.4223(6) 0.3735(7) 0.109(5) Uani 1 1 d . . . . .
H33 H 0.615230 -0.390849 0.363540 0.164 Uiso 1 1 calc R U . . .
H34 H 0.603366 -0.464573 0.361871 0.164 Uiso 1 1 calc R U . . .
H35 H 0.574259 -0.422550 0.416123 0.164 Uiso 1 1 calc R U . . .
C05C C 1.0155(7) 0.1072(9) 0.4650(7) 0.126(6) Uani 1 1 d . . . . .
H36 H 1.015956 0.098411 0.422841 0.189 Uiso 1 1 calc R U . . .
H37 H 1.056912 0.087835 0.482063 0.189 Uiso 1 1 calc R U . . .
H38 H 1.011747 0.153268 0.470462 0.189 Uiso 1 1 calc R U . . .
C05D C -0.2352(8) 0.9360(7) 0.0754(6) 0.092(4) Uani 1 1 d . . . . .
H05J H -0.275187 0.960635 0.064873 0.110 Uiso 1 1 calc R U . . .
C05E C 0.4481(8) 0.2113(7) 0.3100(7) 0.123(6) Uani 1 1 d . . . . .
H39 H 0.495326 0.210212 0.308296 0.148 Uiso 1 1 calc R U . . .
C05F C 0.8134(6) 0.1665(6) 0.4172(5) 0.084(4) Uani 1 1 d . . . . .
H40 H 0.804048 0.198664 0.387789 0.101 Uiso 1 1 calc R U . . .
C05G C -0.2148(6) 0.1824(7) -0.1837(5) 0.092(4) Uani 1 1 d . . . . .
H05K H -0.229046 0.149351 -0.208626 0.139 Uiso 1 1 calc R U . . .
H05L H -0.166008 0.178882 -0.183161 0.139 Uiso 1 1 calc R U . . .
H05M H -0.231272 0.224392 -0.199512 0.139 Uiso 1 1 calc R U . . .
C05H C 0.4695(7) 0.4120(12) 0.2285(8) 0.114(6) Uani 1 1 d . . . . .
H41 H 0.483439 0.424737 0.190056 0.137 Uiso 1 1 calc R U . . .
C05I C 0.4080(7) 0.2527(7) -0.0601(7) 0.122(6) Uani 1 1 d . . . . .
H05N H 0.392284 0.276346 -0.095471 0.183 Uiso 1 1 calc R U . . .
H05O H 0.371264 0.231492 -0.041571 0.183 Uiso 1 1 calc R U . . .
H05P H 0.444574 0.220846 -0.070896 0.183 Uiso 1 1 calc R U . . .
C05J C 0.5987(19) 0.3552(11) 0.4916(9) 0.173(14) Uani 1 1 d . . . . .
C05K C 0.5530(12) 0.3170(8) 0.4737(8) 0.141(8) Uani 1 1 d . . . . .
H42 H 0.506786 0.330918 0.474471 0.169 Uiso 1 1 calc R U . . .
C05L C -0.1739(9) 0.9610(6) 0.0672(6) 0.094(4) Uani 1 1 d . . . . .
H05Q H -0.171844 1.003204 0.052427 0.112 Uiso 1 1 calc R U . . .
C05M C 0.4380(10) 0.3709(10) 0.3403(8) 0.136(7) Uani 1 1 d . . . . .
H43 H 0.429934 0.356845 0.379670 0.163 Uiso 1 1 calc R U . . .
C05N C 0.3863(9) 0.0472(9) 0.0938(8) 0.136(6) Uani 1 1 d . . . . .
H44 H 0.380144 0.057181 0.051805 0.204 Uiso 1 1 calc R U . . .
H45 H 0.427481 0.063374 0.106158 0.204 Uiso 1 1 calc R U . . .
H46 H 0.348385 0.067234 0.116747 0.204 Uiso 1 1 calc R U . . .
C05O C -0.3494(9) 0.4460(8) 0.2501(8) 0.112(5) Uani 1 1 d . . . . .
H05R H -0.383195 0.456446 0.222443 0.134 Uiso 1 1 calc R U . . .
C05Q C -0.3575(9) 0.4069(7) 0.2932(9) 0.112(5) Uani 1 1 d . . . . .
H05S H -0.395606 0.383889 0.293158 0.135 Uiso 1 1 calc R U . . .
C05R C 0.0912(11) 0.0224(8) 0.2399(10) 0.139(8) Uani 1 1 d . . . . .
H47 H 0.047965 0.008376 0.239117 0.167 Uiso 1 1 calc R U . . .
C05S C 0.2190(8) 0.0677(9) 0.2444(7) 0.121(6) Uani 1 1 d . . . . .
H48 H 0.261484 0.083224 0.245706 0.145 Uiso 1 1 calc R U . . .
C05T C 0.4529(8) 0.3517(9) 0.2398(7) 0.119(6) Uani 1 1 d . . . . .
H49 H 0.452300 0.323758 0.207739 0.143 Uiso 1 1 calc R U . . .
C05U C 0.1339(16) 0.0165(13) 0.1935(11) 0.184(15) Uani 1 1 d . . . . .
H50 H 0.119526 -0.002982 0.159609 0.221 Uiso 1 1 calc R U . . .
C05V C -0.3161(10) 0.3960(8) 0.3385(8) 0.120(6) Uani 1 1 d . . . . .
H05V H -0.325459 0.368231 0.370560 0.144 Uiso 1 1 calc R U . . .
C05W C 0.6392(9) -0.3770(8) 0.2131(8) 0.130(6) Uani 1 1 d . . . . .
H51 H 0.674132 -0.370379 0.183226 0.196 Uiso 1 1 calc R U . . .
H52 H 0.619296 -0.416272 0.205198 0.196 Uiso 1 1 calc R U . . .
H53 H 0.658724 -0.380405 0.252210 0.196 Uiso 1 1 calc R U . . .
C05X C -0.4833(8) 0.5507(8) 0.0819(10) 0.166(9) Uani 1 1 d . . . . .
H05T H -0.456088 0.561639 0.047250 0.250 Uiso 1 1 calc R U . . .
H05U H -0.473581 0.576813 0.114949 0.250 Uiso 1 1 calc R U . . .
H05W H -0.530577 0.558560 0.072844 0.250 Uiso 1 1 calc R U . . .
C05Y C 0.4165(7) 0.2104(8) 0.1299(8) 0.131(7) Uani 1 1 d . . . . .
H05X H 0.462684 0.193281 0.121704 0.197 Uiso 1 1 calc R U . . .
H05Y H 0.401951 0.195270 0.168918 0.197 Uiso 1 1 calc R U . . .
H54 H 0.413541 0.256963 0.128960 0.197 Uiso 1 1 calc R U . . .
C05Z C 0.4656(10) 0.4525(9) 0.2725(13) 0.146(8) Uani 1 1 d . . . . .
H55 H 0.473325 0.495580 0.264738 0.175 Uiso 1 1 calc R U . . .
C060 C 0.4064(11) 0.2662(8) 0.3050(10) 0.163(8) Uani 1 1 d . . . . .
H56 H 0.359489 0.265110 0.307316 0.196 Uiso 1 1 calc R U . . .
C061 C 0.5999(14) 0.4473(14) 0.5290(9) 0.252(18) Uani 1 1 d . . . . .
H57 H 0.643132 0.424979 0.527651 0.303 Uiso 1 1 calc R U . . .
H58 H 0.593540 0.488731 0.544661 0.303 Uiso 1 1 calc R U . . .
C063 C 0.2193(11) 0.2932(9) 0.3733(8) 0.163(8) Uani 1 1 d . . . . .
H06A H 0.232269 0.255842 0.349344 0.244 Uiso 1 1 calc R U . . .
H06B H 0.201279 0.279485 0.411622 0.244 Uiso 1 1 calc R U . . .
H06C H 0.258413 0.316163 0.379195 0.244 Uiso 1 1 calc R U . . .
C064 C 0.4505(13) 0.4327(12) 0.3291(11) 0.183(11) Uani 1 1 d . . . . .
H59 H 0.448796 0.461850 0.360349 0.219 Uiso 1 1 calc R U . . .
C065 C 0.1984(15) 0.0367(15) 0.1910(11) 0.201(14) Uani 1 1 d . . . . .
H60 H 0.227023 0.030805 0.157212 0.241 Uiso 1 1 calc R U . . .
C32 C -0.2528(9) 0.4309(11) 0.3351(8) 0.151(8) Uani 1 1 d . . . . .
H32 H -0.221767 0.426160 0.365796 0.181 Uiso 1 1 calc R U . . .
C33 C 0.5618(11) 0.0806(11) 0.0307(7) 0.179(9) Uani 1 1 d . . . . .
H61 H 0.552794 0.115895 0.002254 0.268 Uiso 1 1 calc R U . . .
H62 H 0.531035 0.048375 0.024889 0.268 Uiso 1 1 calc R U . . .
H63 H 0.607804 0.061674 0.024700 0.268 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
Pt01 Ag03 2.7377(8) 2_565 ?
Pt01 Ag03 2.7377(8) . ?
Pt01 Ag04 2.7605(8) 2_565 ?
Pt01 Ag04 2.7605(8) . ?
Pt01 Ag05 2.7360(9) . ?
Pt01 Ag05 2.7360(9) 2_565 ?
Pt01 Ag06 2.7511(8) . ?
Pt01 Ag06 2.7511(8) 2_565 ?
Pt01 Ag07 2.7464(9) 2_565 ?
Pt01 Ag07 2.7464(9) . ?
Pt01 Ag08 2.7503(10) . ?
Pt01 Ag08 2.7502(10) 2_565 ?
Pt02 Ag09 2.7565(10) 2_656 ?
Pt02 Ag09 2.7565(10) . ?
Pt02 Ag0A 2.7481(8) 2_656 ?
Pt02 Ag0A 2.7481(8) . ?
Pt02 Ag0B 2.7315(9) . ?
Pt02 Ag0B 2.7315(8) 2_656 ?
Pt02 Ag0C 2.7335(9) . ?
Pt02 Ag0C 2.7335(9) 2_656 ?
Pt02 Ag0D 2.7563(10) . ?
Pt02 Ag0D 2.7562(10) 2_656 ?
Pt02 Ag0E 2.7584(9) . ?
Pt02 Ag0E 2.7584(9) 2_656 ?
Ag03 Ag04 2.9258(12) . ?
Ag03 Ag05 2.8518(11) 2_565 ?
Ag03 Ag06 2.8882(11) 2_565 ?
Ag03 Ag07 2.8703(12) . ?
Ag03 Ag08 2.8901(10) . ?
Ag03 S00H 2.444(2) . ?
Ag04 Ag05 2.8782(11) 2_565 ?
Ag04 Ag06 2.8657(12) . ?
Ag04 Ag07 2.9045(11) 2_565 ?
Ag04 Ag08 2.8804(11) . ?
Ag04 Ag0F 2.9896(12) . ?
Ag04 S00J 2.461(2) . ?
Ag05 Ag06 2.8945(11) . ?
Ag05 Ag07 2.8787(11) . ?
Ag05 Ag08 2.9284(12) . ?
Ag05 S00I 2.438(2) . ?
Ag06 Ag07 2.9284(12) 2_565 ?
Ag06 Ag08 2.8696(12) . ?
Ag06 Ag0F 3.0360(12) . ?
Ag06 S00N 2.468(2) . ?
Ag07 Ag08 2.8727(10) . ?
Ag07 S00Q 2.448(3) . ?
Ag08 Ag0F 3.0018(11) . ?
Ag08 S00K 2.461(2) . ?
Ag09 Ag0A 2.8912(11) . ?
Ag09 Ag0B 2.8312(12) 2_656 ?
Ag09 Ag0C 2.9356(12) 2_656 ?
Ag09 Ag0D 2.8703(11) . ?
Ag09 Ag0E 2.9067(12) . ?
Ag09 Ag0G 2.9426(13) . ?
Ag09 S00O 2.461(3) . ?
Ag0A Ag0B 2.8252(12) 2_656 ?
Ag0A Ag0C 2.8669(12) . ?
Ag0A Ag0D 2.9012(11) 2_656 ?
Ag0A Ag0E 2.9576(13) . ?
Ag0A S00L 2.453(2) . ?
Ag0B Ag0C 2.8761(11) . ?
Ag0B Ag0D 2.9453(12) . ?
Ag0B Ag0E 2.9102(12) . ?
Ag0B S00R 2.437(3) . ?
Ag0C Ag0D 2.9011(12) 2_656 ?
Ag0C Ag0E 2.8578(12) . ?
Ag0C S00P 2.433(2) . ?
Ag0D Ag0E 2.8600(11) . ?
Ag0D Ag0G 3.0072(12) . ?
Ag0D S00M 2.480(3) . ?
Ag0E Ag0G 2.9919(12) . ?
Ag0E S00S 2.448(3) . ?
Ag0F S00J 2.489(3) . ?
Ag0F S00K 2.508(3) . ?
Ag0F S00N 2.523(3) . ?
Ag0G S00M 2.504(3) . ?
Ag0G S00O 2.546(3) . ?
Ag0G S00S 2.530(3) . ?
S00H C01A 1.812(9) . ?
S00H C01G 1.828(9) . ?
S00H C01Q 1.828(9) . ?
S00I C01W 1.820(9) . ?
S00I C01Z 1.812(10) . ?
S00I C02B 1.811(10) . ?
S00J C024 1.820(10) . ?
S00K C02Y 1.820(11) . ?
S00L C012 1.825(10) . ?
S00L C018 1.816(10) . ?
S00L C02A 1.816(10) . ?
S00M C02O 1.815(10) . ?
S00N C02X 1.814(10) . ?
S00O C03V 1.829(10) . ?
S00P C01J 1.817(10) . ?
S00P C01S 1.820(10) . ?
S00P C02H 1.823(11) . ?
S00Q C01D 1.794(9) . ?
S00Q C01H 1.822(9) . ?
S00Q C01Y 1.819(10) . ?
S00R C01U 1.806(9) . ?
S00R C02L 1.811(11) . ?
S00R C04F 1.832(12) . ?
S00S C05E 1.890(17) . ?
O00T C021 1.367(11) . ?
O00T C05G 1.423(13) . ?
O00U C02D 1.374(12) . ?
O00U C04T 1.408(12) . ?
O00W C01M 1.370(11) . ?
O00W C051 1.428(13) . ?
C00X H 0.9300 . ?
C00X O041 1.327(14) . ?
C00X C05A 1.315(18) . ?
O00Y C02C 1.386(12) . ?
O00Y C056 1.443(15) . ?
O00Z C02P 1.362(12) . ?
O00Z C055 1.431(14) . ?
O010 C02W 1.366(11) . ?
O010 C04S 1.415(13) . ?
O011 C02S 1.367(11) . ?
O011 C052 1.404(14) . ?
C012 C019 1.394(13) . ?
C012 C038 1.399(13) . ?
O013 C04B 1.383(12) . ?
O013 C05I 1.469(15) . ?
O014 C03W 1.376(14) . ?
O014 C05C 1.417(15) . ?
C015 H015 0.9300 . ?
C015 C01V 1.391(13) . ?
C015 C01W 1.385(13) . ?
C016 H016 0.9300 . ?
C016 C01H 1.369(12) . ?
C016 C01O 1.394(12) . ?
O017 C03S 1.380(14) . ?
O017 C33 1.492(18) . ?
C018 C01E 1.364(13) . ?
C018 C02N 1.404(12) . ?
C019 HA 0.9300 . ?
C019 C036 1.372(13) . ?
C01A C01T 1.386(12) . ?
C01A C023 1.388(12) . ?
O01B C02V 1.358(12) . ?
O01B C05B 1.427(14) . ?
C01C HB 0.9300 . ?
C01C C01N 1.379(13) . ?
C01C C01S 1.371(12) . ?
C01D C022 1.379(13) . ?
C01D C02M 1.412(13) . ?
C01E HC 0.9300 . ?
C01E C02R 1.376(14) . ?
O01F C042 1.355(12) . ?
O01F C05N 1.401(17) . ?
C01G C02G 1.359(13) . ?
C01G C034 1.378(13) . ?
C01H C020 1.375(13) . ?
O01I C04J 1.381(12) . ?
O01I C05Y 1.469(15) . ?
C01J C02U 1.388(14) . ?
C01J C04O 1.371(14) . ?
C01K H01K 0.9300 . ?
C01K C01P 1.376(12) . ?
C01K C021 1.361(13) . ?
O01L C03Q 1.375(12) . ?
O01L C05X 1.397(16) . ?
C01M C025 1.376(13) . ?
C01M C029 1.393(13) . ?
C01N HD 0.9300 . ?
C01N C02D 1.377(13) . ?
C01O H01O 0.9300 . ?
C01O C02W 1.361(13) . ?
C01P H01P 0.9300 . ?
C01P C01Q 1.369(12) . ?
C01Q C03H 1.394(13) . ?
C01R H01R 0.9300 . ?
C01R C02B 1.396(13) . ?
C01R C030 1.356(14) . ?
C01S C03U 1.397(12) . ?
C01T H01T 0.9300 . ?
C01T C029 1.359(13) . ?
C01U C02I 1.379(14) . ?
C01U C03O 1.386(13) . ?
C01V H01V 0.9300 . ?
C01V C02S 1.373(13) . ?
C01W C04D 1.395(12) . ?
O01X C02Q 1.366(13) . ?
O01X C05W 1.330(17) . ?
C01Y C027 1.397(13) . ?
C01Y C028 1.381(13) . ?
C01Z C02J 1.379(13) . ?
C01Z C02Z 1.378(13) . ?
C020 H020 0.9300 . ?
C020 C02E 1.375(14) . ?
C021 C048 1.370(14) . ?
C022 H022 0.9300 . ?
C022 C03G 1.362(13) . ?
C023 H023 0.9300 . ?
C023 C025 1.364(13) . ?
C024 H02A 0.9700 . ?
C024 H02B 0.9700 . ?
C024 C046 1.488(13) . ?
C025 H025 0.9300 . ?
C026 H026 0.9300 . ?
C026 C028 1.384(13) . ?
C026 C02C 1.362(14) . ?
C027 H027 0.9300 . ?
C027 C02T 1.371(14) . ?
C028 H028 0.9300 . ?
C029 H029 0.9300 . ?
C02A C037 1.364(13) . ?
C02A C03E 1.406(12) . ?
C02B C040 1.373(13) . ?
C02C C02T 1.374(14) . ?
C02D C031 1.373(14) . ?
C02E H02E 0.9300 . ?
C02E C02W 1.388(14) . ?
C02F H02F 0.9300 . ?
C02F C02G 1.415(13) . ?
C02F C03Q 1.349(15) . ?
C02G H02G 0.9300 . ?
C02H C03D 1.369(14) . ?
C02H C03L 1.385(13) . ?
C02I HE 0.9300 . ?
C02I C03I 1.388(14) . ?
C02J H02J 0.9300 . ?
C02J C03C 1.395(14) . ?
C02K HF 0.9300 . ?
C02K C02V 1.385(14) . ?
C02K C037 1.395(13) . ?
C02L C03B 1.378(15) . ?
C02L C05F 1.400(14) . ?
C02M H02M 0.9300 . ?
C02M C03T 1.370(14) . ?
C02N HG 0.9300 . ?
C02N C03Y 1.358(14) . ?
C02O HH 0.9700 . ?
C02O HI 0.9700 . ?
C02O C03P 1.528(14) . ?
C02P C03I 1.372(14) . ?
C02P C03N 1.395(14) . ?
C02Q C035 1.373(16) . ?
C02Q C04C 1.381(16) . ?
C02R HJ 0.9300 . ?
C02R C042 1.369(14) . ?
C02S C043 1.390(14) . ?
C02T H02T 0.9300 . ?
C02U HK 0.9300 . ?
C02U C035 1.388(14) . ?
C02V C03J 1.389(14) . ?
C02X H02C 0.9700 . ?
C02X H02D 0.9700 . ?
C02X C03M 1.509(12) . ?
C02Y H02H 0.9700 . ?
C02Y H02I 0.9700 . ?
C02Y C04W 1.465(15) . ?
C02Z H02Z 0.9300 . ?
C02Z C03X 1.395(14) . ?
C030 H030 0.9300 . ?
C030 C04G 1.350(16) . ?
C031 HL 0.9300 . ?
C031 C03U 1.391(13) . ?
O032 C04G 1.379(14) . ?
O032 C063 1.391(18) . ?
C033 C03P 1.505(14) . ?
C033 C04I 1.370(16) . ?
C033 C04U 1.369(16) . ?
C034 H034 0.9300 . ?
C034 C03Z 1.340(14) . ?
C035 HM 0.9300 . ?
C036 HN 0.9300 . ?
C036 O041 1.429(14) . ?
C037 HO 0.9300 . ?
C038 HP 0.9300 . ?
C038 C04P 1.344(14) . ?
C039 C04A 1.509(14) . ?
C039 C04H 1.375(17) . ?
C039 C05S 1.329(18) . ?
C03A C044 1.375(16) . ?
C03A C046 1.491(14) . ?
C03A C04M 1.376(15) . ?
C03B HQ 0.9300 . ?
C03B C03R 1.380(15) . ?
C03C H03C 0.9300 . ?
C03C C04B 1.360(15) . ?
C03D HR 0.9300 . ?
C03D C03F 1.395(14) . ?
C03E HS 0.9300 . ?
C03E C03J 1.357(14) . ?
C03F HT 0.9300 . ?
C03F C03S 1.391(16) . ?
C03G H03G 0.9300 . ?
C03G C04J 1.370(15) . ?
C03H H03H 0.9300 . ?
C03H C048 1.374(13) . ?
C03I HU 0.9300 . ?
C03J HV 0.9300 . ?
C03K C03M 1.488(15) . ?
C03K C045 1.364(15) . ?
C03K C053 1.379(14) . ?
C03L HW 0.9300 . ?
C03L C047 1.363(15) . ?
C03M H03A 0.9700 . ?
C03M H03B 0.9700 . ?
C03N HX 0.9300 . ?
C03N C03O 1.371(14) . ?
C03O HY 0.9300 . ?
C03P HZ 0.9700 . ?
C03P H1 0.9700 . ?
C03Q C03Z 1.395(16) . ?
C03R H2 0.9300 . ?
C03R C03W 1.371(16) . ?
C03S C047 1.356(17) . ?
C03T H03T 0.9300 . ?
C03T C04J 1.357(15) . ?
C03U H3 0.9300 . ?
C03V H4 0.9700 . ?
C03V H5 0.9700 . ?
C03V C04A 1.501(14) . ?
C03W C058 1.368(17) . ?
C03X H03X 0.9300 . ?
C03X C04B 1.390(16) . ?
C03Y H6 0.9300 . ?
C03Y C042 1.389(14) . ?
C03Z H03Z 0.9300 . ?
C040 H040 0.9300 . ?
C040 C049 1.380(16) . ?
O041 C04P 1.423(15) . ?
C043 H043 0.9300 . ?
C043 C04D 1.353(14) . ?
C044 H044 0.9300 . ?
C044 C04Y 1.388(17) . ?
C045 H045 0.9300 . ?
C045 C057 1.380(17) . ?
C046 H04A 0.9700 . ?
C046 H04B 0.9700 . ?
C047 H7 0.9300 . ?
C048 H048 0.9300 . ?
C049 H049 0.9300 . ?
C049 C04G 1.376(17) . ?
C04A H8 0.9700 . ?
C04A H9 0.9700 . ?
C04C H10 0.9300 . ?
C04C C04O 1.352(14) . ?
C04D H04D 0.9300 . ?
C04E H11 0.9300 . ?
C04E C050 1.358(15) . ?
C04E C059 1.330(17) . ?
C04F C04Q 1.371(17) . ?
C04F C04X 1.385(19) . ?
C04H H12 0.9300 . ?
C04H C05R 1.331(19) . ?
C04I H13 0.9300 . ?
C04I C050 1.377(16) . ?
C04K H14 0.9300 . ?
C04K C04Q 1.43(3) . ?
C04K C05J 1.29(4) . ?
O04L C05J 1.65(3) . ?
O04L C061 1.206(18) . ?
C04M H04M 0.9300 . ?
C04M C05D 1.366(16) . ?
C04N C04R 1.321(17) . ?
C04N C04W 1.479(16) . ?
C04N C32 1.38(2) . ?
C04O H15 0.9300 . ?
C04P H16 0.9300 . ?
C04Q H17 0.9300 . ?
C04R H04R 0.9300 . ?
C04R C05O 1.325(18) . ?
C04S H04C 0.9600 . ?
C04S H04E 0.9600 . ?
C04S H04F 0.9600 . ?
C04T H18 0.9600 . ?
C04T H19 0.9600 . ?
C04T H20 0.9600 . ?
C04U H21 0.9300 . ?
C04U C059 1.407(18) . ?
C04V H04V 0.9300 . ?
C04V C053 1.372(16) . ?
C04V C054 1.367(17) . ?
C04W H04G 0.9700 . ?
C04W H04H 0.9700 . ?
C04X H22 0.9300 . ?
C04X C05K 1.368(18) . ?
C04Y H04Y 0.9300 . ?
C04Y C05L 1.340(19) . ?
C04Z C05M 1.33(2) . ?
C04Z C05T 1.351(19) . ?
C04Z C060 1.50(2) . ?
C050 H23 0.9300 . ?
C051 H05A 0.9600 . ?
C051 H05B 0.9600 . ?
C051 H05C 0.9600 . ?
C052 H05D 0.9600 . ?
C052 H05E 0.9600 . ?
C052 H05F 0.9600 . ?
C053 H053 0.9300 . ?
C054 H054 0.9300 . ?
C054 C057 1.362(17) . ?
C055 H24 0.9600 . ?
C055 H25 0.9600 . ?
C055 H26 0.9600 . ?
C056 H05G 0.9600 . ?
C056 H05H 0.9600 . ?
C056 H05I 0.9600 . ?
C057 H057 0.9300 . ?
C058 H27 0.9300 . ?
C058 C05F 1.377(17) . ?
C059 H28 0.9300 . ?
C05A H29 0.9600 . ?
C05A H30 0.9600 . ?
C05A H31 0.9600 . ?
C05B H33 0.9600 . ?
C05B H34 0.9600 . ?
C05B H35 0.9600 . ?
C05C H36 0.9600 . ?
C05C H37 0.9600 . ?
C05C H38 0.9600 . ?
C05D H05J 0.9300 . ?
C05D C05L 1.367(19) . ?
C05E H39 0.9300 . ?
C05E C060 1.34(2) . ?
C05F H40 0.9300 . ?
C05G H05K 0.9600 . ?
C05G H05L 0.9600 . ?
C05G H05M 0.9600 . ?
C05H H41 0.9300 . ?
C05H C05T 1.34(2) . ?
C05H C05Z 1.30(2) . ?
C05I H05N 0.9600 . ?
C05I H05O 0.9600 . ?
C05I H05P 0.9600 . ?
C05J C05K 1.33(3) . ?
C05K H42 0.9300 . ?
C05L H05Q 0.9300 . ?
C05M H43 0.9300 . ?
C05M C064 1.34(3) . ?
C05N H44 0.9600 . ?
C05N H45 0.9600 . ?
C05N H46 0.9600 . ?
C05O H05R 0.9300 . ?
C05O C05Q 1.25(2) . ?
C05Q H05S 0.9300 . ?
C05Q C05V 1.32(2) . ?
C05R H47 0.9300 . ?
C05R C05U 1.31(3) . ?
C05S H48 0.9300 . ?
C05S C065 1.45(3) . ?
C05T H49 0.9300 . ?
C05U H50 0.9300 . ?
C05U C065 1.38(4) . ?
C05V H05V 0.9300 . ?
C05V C32 1.50(2) . ?
C05W H51 0.9600 . ?
C05W H52 0.9600 . ?
C05W H53 0.9600 . ?
C05X H05T 0.9600 . ?
C05X H05U 0.9600 . ?
C05X H05W 0.9600 . ?
C05Y H05X 0.9600 . ?
C05Y H05Y 0.9600 . ?
C05Y H54 0.9600 . ?
C05Z H55 0.9300 . ?
C05Z C064 1.35(3) . ?
C060 H56 0.9300 . ?
C061 H57 0.9300 . ?
C061 H58 0.9300 . ?
C063 H06A 0.9600 . ?
C063 H06B 0.9600 . ?
C063 H06C 0.9600 . ?
C064 H59 0.9300 . ?
C065 H60 0.9300 . ?
C32 H32 0.9300 . ?
C33 H61 0.9600 . ?
C33 H62 0.9600 . ?
C33 H63 0.9600 . ?

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
Ag03 Pt01 Ag03 180.00(3) 2_565 . ?
Ag03 Pt01 Ag04 115.70(3) . 2_565 ?
Ag03 Pt01 Ag04 64.30(3) 2_565 2_565 ?
Ag03 Pt01 Ag04 115.70(3) 2_565 . ?
Ag03 Pt01 Ag04 64.30(3) . . ?
Ag03 Pt01 Ag06 116.50(2) 2_565 2_565 ?
Ag03 Pt01 Ag06 116.50(2) . . ?
Ag03 Pt01 Ag06 63.50(2) . 2_565 ?
Ag03 Pt01 Ag06 63.50(2) 2_565 . ?
Ag03 Pt01 Ag07 116.88(3) . 2_565 ?
Ag03 Pt01 Ag07 63.12(3) 2_565 2_565 ?
Ag03 Pt01 Ag07 116.88(3) 2_565 . ?
Ag03 Pt01 Ag07 63.12(3) . . ?
Ag03 Pt01 Ag08 63.56(2) 2_565 2_565 ?
Ag03 Pt01 Ag08 116.44(2) . 2_565 ?
Ag03 Pt01 Ag08 116.444(19) 2_565 . ?
Ag03 Pt01 Ag08 63.556(19) . . ?
Ag04 Pt01 Ag04 179.999(17) 2_565 . ?
Ag05 Pt01 Ag03 62.80(3) 2_565 . ?
Ag05 Pt01 Ag03 62.80(3) . 2_565 ?
Ag05 Pt01 Ag03 117.20(3) 2_565 2_565 ?
Ag05 Pt01 Ag03 117.20(3) . . ?
Ag05 Pt01 Ag04 63.15(3) . 2_565 ?
Ag05 Pt01 Ag04 116.85(3) . . ?
Ag05 Pt01 Ag04 63.15(3) 2_565 . ?
Ag05 Pt01 Ag04 116.85(3) 2_565 2_565 ?
Ag05 Pt01 Ag05 180.0 2_565 . ?
Ag05 Pt01 Ag06 63.68(2) 2_565 2_565 ?
Ag05 Pt01 Ag06 63.67(2) . . ?
Ag05 Pt01 Ag06 116.33(2) . 2_565 ?
Ag05 Pt01 Ag06 116.33(2) 2_565 . ?
Ag05 Pt01 Ag07 63.35(2) 2_565 2_565 ?
Ag05 Pt01 Ag07 63.35(2) . . ?
Ag05 Pt01 Ag07 116.65(2) 2_565 . ?
Ag05 Pt01 Ag07 116.65(2) . 2_565 ?
Ag05 Pt01 Ag08 64.52(2) 2_565 2_565 ?
Ag05 Pt01 Ag08 115.48(2) 2_565 . ?
Ag05 Pt01 Ag08 115.48(2) . 2_565 ?
Ag05 Pt01 Ag08 64.52(2) . . ?
Ag06 Pt01 Ag04 117.34(2) 2_565 . ?
Ag06 Pt01 Ag04 62.66(2) 2_565 2_565 ?
Ag06 Pt01 Ag04 62.66(2) . . ?
Ag06 Pt01 Ag04 117.34(2) . 2_565 ?
Ag06 Pt01 Ag06 180.0 2_565 . ?
Ag07 Pt01 Ag04 116.34(2) 2_565 2_565 ?
Ag07 Pt01 Ag04 63.66(2) 2_565 . ?
Ag07 Pt01 Ag04 63.67(2) . 2_565 ?
Ag07 Pt01 Ag04 116.34(2) . . ?
Ag07 Pt01 Ag06 64.37(3) 2_565 . ?
Ag07 Pt01 Ag06 115.63(3) 2_565 2_565 ?
Ag07 Pt01 Ag06 64.37(3) . 2_565 ?
Ag07 Pt01 Ag06 115.63(3) . . ?
Ag07 Pt01 Ag07 180.0 2_565 . ?
Ag07 Pt01 Ag08 63.02(2) 2_565 2_565 ?
Ag07 Pt01 Ag08 116.98(2) 2_565 . ?
Ag07 Pt01 Ag08 63.02(2) . . ?
Ag07 Pt01 Ag08 116.98(2) . 2_565 ?
Ag08 Pt01 Ag04 116.97(2) . 2_565 ?
Ag08 Pt01 Ag04 63.02(2) 2_565 2_565 ?
Ag08 Pt01 Ag04 116.97(2) 2_565 . ?
Ag08 Pt01 Ag04 63.03(2) . . ?
Ag08 Pt01 Ag06 62.88(2) 2_565 2_565 ?
Ag08 Pt01 Ag06 117.12(2) . 2_565 ?
Ag08 Pt01 Ag06 117.12(2) 2_565 . ?
Ag08 Pt01 Ag06 62.88(2) . . ?
Ag08 Pt01 Ag08 180.00(3) 2_565 . ?
Ag09 Pt02 Ag09 180.0 . 2_656 ?
Ag09 Pt02 Ag0E 63.61(2) . . ?
Ag09 Pt02 Ag0E 63.61(2) 2_656 2_656 ?
Ag09 Pt02 Ag0E 116.39(2) . 2_656 ?
Ag09 Pt02 Ag0E 116.39(2) 2_656 . ?
Ag0A Pt02 Ag09 63.37(2) . . ?
Ag0A Pt02 Ag09 63.37(2) 2_656 2_656 ?
Ag0A Pt02 Ag09 116.63(2) 2_656 . ?
Ag0A Pt02 Ag09 116.63(2) . 2_656 ?
Ag0A Pt02 Ag0A 180.0 . 2_656 ?
Ag0A Pt02 Ag0D 116.38(2) 2_656 2_656 ?
Ag0A Pt02 Ag0D 116.38(2) . . ?
Ag0A Pt02 Ag0D 63.62(2) . 2_656 ?
Ag0A Pt02 Ag0D 63.62(2) 2_656 . ?
Ag0A Pt02 Ag0E 115.02(3) . 2_656 ?
Ag0A Pt02 Ag0E 115.02(3) 2_656 . ?
Ag0A Pt02 Ag0E 64.97(3) . . ?
Ag0A Pt02 Ag0E 64.98(3) 2_656 2_656 ?
Ag0B Pt02 Ag09 117.89(3) 2_656 2_656 ?
Ag0B Pt02 Ag09 117.89(3) . . ?
Ag0B Pt02 Ag09 62.11(3) . 2_656 ?
Ag0B Pt02 Ag09 62.11(3) 2_656 . ?
Ag0B Pt02 Ag0A 62.07(3) . 2_656 ?
Ag0B Pt02 Ag0A 117.93(3) 2_656 2_656 ?
Ag0B Pt02 Ag0A 62.07(3) 2_656 . ?
Ag0B Pt02 Ag0A 117.93(3) . . ?
Ag0B Pt02 Ag0B 180.0 . 2_656 ?
Ag0B Pt02 Ag0C 116.49(2) 2_656 . ?
Ag0B Pt02 Ag0C 63.51(2) . . ?
Ag0B Pt02 Ag0C 116.49(2) . 2_656 ?
Ag0B Pt02 Ag0C 63.51(2) 2_656 2_656 ?
Ag0B Pt02 Ag0D 115.08(3) . 2_656 ?
Ag0B Pt02 Ag0D 115.08(3) 2_656 . ?
Ag0B Pt02 Ag0D 64.92(3) 2_656 2_656 ?
Ag0B Pt02 Ag0D 64.92(3) . . ?
Ag0B Pt02 Ag0E 64.02(2) 2_656 2_656 ?
Ag0B Pt02 Ag0E 64.02(3) . . ?
Ag0B Pt02 Ag0E 115.98(2) . 2_656 ?
Ag0B Pt02 Ag0E 115.98(2) 2_656 . ?
Ag0C Pt02 Ag09 115.35(2) 2_656 2_656 ?
Ag0C Pt02 Ag09 64.65(2) . 2_656 ?
Ag0C Pt02 Ag09 64.65(2) 2_656 . ?
Ag0C Pt02 Ag09 115.35(2) . . ?
Ag0C Pt02 Ag0A 116.93(3) 2_656 . ?
Ag0C Pt02 Ag0A 116.93(3) . 2_656 ?
Ag0C Pt02 Ag0A 63.07(3) 2_656 2_656 ?
Ag0C Pt02 Ag0A 63.07(3) . . ?
Ag0C Pt02 Ag0C 180.0 . 2_656 ?
Ag0C Pt02 Ag0D 63.80(2) . 2_656 ?
Ag0C Pt02 Ag0D 63.80(2) 2_656 . ?
Ag0C Pt02 Ag0D 116.20(2) . . ?
Ag0C Pt02 Ag0D 116.20(2) 2_656 2_656 ?
Ag0C Pt02 Ag0E 117.29(3) . 2_656 ?
Ag0C Pt02 Ag0E 117.29(3) 2_656 . ?
Ag0C Pt02 Ag0E 62.71(3) 2_656 2_656 ?
Ag0C Pt02 Ag0E 62.71(3) . . ?
Ag0D Pt02 Ag09 117.24(2) . 2_656 ?
Ag0D Pt02 Ag09 62.76(2) 2_656 2_656 ?
Ag0D Pt02 Ag09 62.75(2) . . ?
Ag0D Pt02 Ag09 117.25(2) 2_656 . ?
Ag0D Pt02 Ag0D 180.0 2_656 . ?
Ag0D Pt02 Ag0E 62.48(2) 2_656 2_656 ?
Ag0D Pt02 Ag0E 117.52(2) 2_656 . ?
Ag0D Pt02 Ag0E 62.48(2) . . ?
Ag0D Pt02 Ag0E 117.52(2) . 2_656 ?
Ag0E Pt02 Ag0E 180.0 2_656 . ?
Pt01 Ag03 Ag04 58.23(2) . . ?
Pt01 Ag03 Ag05 58.57(2) . 2_565 ?
Pt01 Ag03 Ag06 58.48(2) . 2_565 ?
Pt01 Ag03 Ag07 58.59(2) . . ?
Pt01 Ag03 Ag08 58.43(2) . . ?
Ag05 Ag03 Ag04 59.74(3) 2_565 . ?
Ag05 Ag03 Ag06 60.56(3) 2_565 2_565 ?
Ag05 Ag03 Ag07 109.25(3) 2_565 . ?
Ag05 Ag03 Ag08 107.80(3) 2_565 . ?
Ag06 Ag03 Ag04 108.15(3) 2_565 . ?
Ag06 Ag03 Ag08 108.64(3) 2_565 . ?
Ag07 Ag03 Ag04 107.64(3) . . ?
Ag07 Ag03 Ag06 61.13(3) . 2_565 ?
Ag07 Ag03 Ag08 59.83(3) . . ?
Ag08 Ag03 Ag04 59.37(2) . . ?
S00H Ag03 Pt01 175.33(6) . . ?
S00H Ag03 Ag04 124.10(6) . . ?
S00H Ag03 Ag05 118.34(6) . 2_565 ?
S00H Ag03 Ag06 117.20(6) . 2_565 ?
S00H Ag03 Ag07 121.79(7) . . ?
S00H Ag03 Ag08 126.13(6) . . ?
Pt01 Ag04 Ag03 57.472(19) . . ?
Pt01 Ag04 Ag05 58.01(2) . 2_565 ?
Pt01 Ag04 Ag06 58.51(2) . . ?
Pt01 Ag04 Ag07 57.93(2) . 2_565 ?
Pt01 Ag04 Ag08 58.31(3) . . ?
Pt01 Ag04 Ag0F 109.92(3) . . ?
Ag03 Ag04 Ag0F 114.37(3) . . ?
Ag05 Ag04 Ag03 58.85(2) 2_565 . ?
Ag05 Ag04 Ag07 59.71(3) 2_565 2_565 ?
Ag05 Ag04 Ag08 107.34(3) 2_565 . ?
Ag05 Ag04 Ag0F 167.78(3) 2_565 . ?
Ag06 Ag04 Ag03 107.39(3) . . ?
Ag06 Ag04 Ag05 108.50(3) . 2_565 ?
Ag06 Ag04 Ag07 60.99(3) . 2_565 ?
Ag06 Ag04 Ag08 59.92(3) . . ?
Ag06 Ag04 Ag0F 62.42(2) . . ?
Ag07 Ag04 Ag03 106.54(3) 2_565 . ?
Ag07 Ag04 Ag0F 117.15(3) 2_565 . ?
Ag08 Ag04 Ag03 59.70(2) . . ?
Ag08 Ag04 Ag07 108.21(3) . 2_565 ?
Ag08 Ag04 Ag0F 61.48(3) . . ?
S00J Ag04 Pt01 161.99(6) . . ?
S00J Ag04 Ag03 131.74(7) . . ?
S00J Ag04 Ag05 138.95(7) . 2_565 ?
S00J Ag04 Ag06 104.19(6) . . ?
S00J Ag04 Ag07 120.54(7) . 2_565 ?
S00J Ag04 Ag08 110.26(7) . . ?
S00J Ag04 Ag0F 53.27(6) . . ?
Pt01 Ag05 Ag03 58.63(2) . 2_565 ?
Pt01 Ag05 Ag04 58.84(2) . 2_565 ?
Pt01 Ag05 Ag06 58.42(2) . . ?
Pt01 Ag05 Ag07 58.50(2) . . ?
Pt01 Ag05 Ag08 57.98(3) . . ?
Ag03 Ag05 Ag04 61.41(3) 2_565 2_565 ?
Ag03 Ag05 Ag06 60.34(3) 2_565 . ?
Ag03 Ag05 Ag07 109.26(3) 2_565 . ?
Ag03 Ag05 Ag08 107.62(3) 2_565 . ?
Ag04 Ag05 Ag06 109.29(3) 2_565 . ?
Ag04 Ag05 Ag07 60.60(2) 2_565 . ?
Ag04 Ag05 Ag08 108.01(3) 2_565 . ?
Ag06 Ag05 Ag08 59.05(3) . . ?
Ag07 Ag05 Ag06 107.39(3) . . ?
Ag07 Ag05 Ag08 59.29(2) . . ?
S00I Ag05 Pt01 175.51(6) . . ?
S00I Ag05 Ag03 123.70(7) . 2_565 ?
S00I Ag05 Ag04 118.17(6) . 2_565 ?
S00I Ag05 Ag06 125.91(6) . . ?
S00I Ag05 Ag07 117.36(7) . . ?
S00I Ag05 Ag08 122.26(7) . . ?
Pt01 Ag06 Ag03 58.03(2) . 2_565 ?
Pt01 Ag06 Ag04 58.831(18) . . ?
Pt01 Ag06 Ag05 57.91(2) . . ?
Pt01 Ag06 Ag07 57.73(2) . 2_565 ?
Pt01 Ag06 Ag08 58.54(3) . . ?
Pt01 Ag06 Ag0F 108.85(3) . . ?
Ag03 Ag06 Ag05 59.10(2) 2_565 . ?
Ag03 Ag06 Ag07 59.13(3) 2_565 2_565 ?
Ag03 Ag06 Ag0F 166.86(3) 2_565 . ?
Ag04 Ag06 Ag03 108.00(3) . 2_565 ?
Ag04 Ag06 Ag05 108.77(3) . . ?
Ag04 Ag06 Ag07 60.16(2) . 2_565 ?
Ag04 Ag06 Ag08 60.29(2) . . ?
Ag04 Ag06 Ag0F 60.79(3) . . ?
Ag05 Ag06 Ag07 106.50(3) . 2_565 ?
Ag05 Ag06 Ag0F 115.98(3) . . ?
Ag07 Ag06 Ag0F 114.97(4) 2_565 . ?
Ag08 Ag06 Ag03 108.24(3) . 2_565 ?
Ag08 Ag06 Ag05 61.06(3) . . ?
Ag08 Ag06 Ag07 107.84(3) . 2_565 ?
Ag08 Ag06 Ag0F 61.02(3) . . ?
S00N Ag06 Pt01 160.77(7) . . ?
S00N Ag06 Ag03 139.66(7) . 2_565 ?
S00N Ag06 Ag04 109.51(6) . . ?
S00N Ag06 Ag05 119.70(7) . . ?
S00N Ag06 Ag07 132.75(7) . 2_565 ?
S00N Ag06 Ag08 102.82(7) . . ?
S00N Ag06 Ag0F 53.38(6) . . ?
Pt01 Ag07 Ag03 58.292(19) . . ?
Pt01 Ag07 Ag04 58.40(2) . 2_565 ?
Pt01 Ag07 Ag05 58.15(3) . . ?
Pt01 Ag07 Ag06 57.89(2) . 2_565 ?
Pt01 Ag07 Ag08 58.56(3) . . ?
Ag03 Ag07 Ag04 107.43(3) . 2_565 ?
Ag03 Ag07 Ag05 108.72(3) . . ?
Ag03 Ag07 Ag06 59.73(2) . 2_565 ?
Ag03 Ag07 Ag08 60.43(2) . . ?
Ag04 Ag07 Ag06 58.85(3) 2_565 2_565 ?
Ag05 Ag07 Ag04 59.69(3) . 2_565 ?
Ag05 Ag07 Ag06 106.78(3) . 2_565 ?
Ag08 Ag07 Ag04 108.82(3) . 2_565 ?
Ag08 Ag07 Ag05 61.22(3) . . ?
Ag08 Ag07 Ag06 108.01(3) . 2_565 ?
S00Q Ag07 Pt01 176.20(7) . . ?
S00Q Ag07 Ag03 118.76(7) . . ?
S00Q Ag07 Ag04 125.40(7) . 2_565 ?
S00Q Ag07 Ag05 122.83(6) . . ?
S00Q Ag07 Ag06 123.45(6) . 2_565 ?
S00Q Ag07 Ag08 118.22(7) . . ?
Pt01 Ag08 Ag03 58.01(2) . . ?
Pt01 Ag08 Ag04 58.66(2) . . ?
Pt01 Ag08 Ag05 57.50(2) . . ?
Pt01 Ag08 Ag06 58.574(19) . . ?
Pt01 Ag08 Ag07 58.43(2) . . ?
Pt01 Ag08 Ag0F 109.85(3) . . ?
Ag03 Ag08 Ag05 106.83(3) . . ?
Ag03 Ag08 Ag0F 115.08(3) . . ?
Ag04 Ag08 Ag03 60.93(3) . . ?
Ag04 Ag08 Ag05 107.44(3) . . ?
Ag04 Ag08 Ag0F 61.05(3) . . ?
Ag05 Ag08 Ag0F 116.00(3) . . ?
Ag06 Ag08 Ag03 108.26(3) . . ?
Ag06 Ag08 Ag04 59.79(3) . . ?
Ag06 Ag08 Ag05 59.89(2) . . ?
Ag06 Ag08 Ag07 108.24(3) . . ?
Ag06 Ag08 Ag0F 62.22(3) . . ?
Ag07 Ag08 Ag03 59.74(3) . . ?
Ag07 Ag08 Ag04 108.83(3) . . ?
Ag07 Ag08 Ag05 59.49(2) . . ?
Ag07 Ag08 Ag0F 168.27(3) . . ?
S00K Ag08 Pt01 163.11(7) . . ?
S00K Ag08 Ag03 122.73(7) . . ?
S00K Ag08 Ag04 105.80(7) . . ?
S00K Ag08 Ag05 129.20(7) . . ?
S00K Ag08 Ag06 109.20(7) . . ?
S00K Ag08 Ag07 138.12(7) . . ?
S00K Ag08 Ag0F 53.55(6) . . ?
Pt02 Ag09 Ag0A 58.17(2) . . ?
Pt02 Ag09 Ag0B 58.51(2) . 2_656 ?
Pt02 Ag09 Ag0C 57.30(2) . 2_656 ?
Pt02 Ag09 Ag0D 58.62(3) . . ?
Pt02 Ag09 Ag0E 58.23(2) . . ?
Pt02 Ag09 Ag0G 110.11(3) . . ?
Ag0A Ag09 Ag0C 106.61(3) . 2_656 ?
Ag0A Ag09 Ag0E 61.34(3) . . ?
Ag0A Ag09 Ag0G 115.57(4) . . ?
Ag0B Ag09 Ag0A 59.16(3) 2_656 . ?
Ag0B Ag09 Ag0C 59.80(3) 2_656 2_656 ?
Ag0B Ag09 Ag0D 108.61(3) 2_656 . ?
Ag0B Ag09 Ag0E 108.44(3) 2_656 . ?
Ag0B Ag09 Ag0G 168.60(3) 2_656 . ?
Ag0C Ag09 Ag0G 116.10(3) 2_656 . ?
Ag0D Ag09 Ag0A 108.56(3) . . ?
Ag0D Ag09 Ag0C 59.95(2) . 2_656 ?
Ag0D Ag09 Ag0E 59.35(3) . . ?
Ag0D Ag09 Ag0G 62.29(3) . . ?
Ag0E Ag09 Ag0C 106.79(4) . 2_656 ?
Ag0E Ag09 Ag0G 61.52(3) . . ?
S00O Ag09 Pt02 165.38(7) . . ?
S00O Ag09 Ag0A 123.95(6) . . ?
S00O Ag09 Ag0B 136.00(7) . 2_656 ?
S00O Ag09 Ag0C 127.54(6) . 2_656 ?
S00O Ag09 Ag0D 110.08(7) . . ?
S00O Ag09 Ag0E 108.80(7) . . ?
S00O Ag09 Ag0G 55.34(7) . . ?
Pt02 Ag0A Ag09 58.46(2) . . ?
Pt02 Ag0A Ag0B 58.68(2) . 2_656 ?
Pt02 Ag0A Ag0C 58.22(2) . . ?
Pt02 Ag0A Ag0D 58.33(2) . 2_656 ?
Pt02 Ag0A Ag0E 57.68(2) . . ?
Ag09 Ag0A Ag0D 108.69(3) . 2_656 ?
Ag09 Ag0A Ag0E 59.59(3) . . ?
Ag0B Ag0A Ag09 59.36(3) 2_656 . ?
Ag0B Ag0A Ag0C 109.45(3) 2_656 . ?
Ag0B Ag0A Ag0D 61.89(3) 2_656 2_656 ?
Ag0B Ag0A Ag0E 107.20(3) 2_656 . ?
Ag0C Ag0A Ag09 107.35(3) . . ?
Ag0C Ag0A Ag0D 60.39(3) . 2_656 ?
Ag0C Ag0A Ag0E 58.74(2) . . ?
Ag0D Ag0A Ag0E 107.17(3) 2_656 . ?
S00L Ag0A Pt02 175.83(7) . . ?
S00L Ag0A Ag09 125.60(7) . . ?
S00L Ag0A Ag0B 121.68(7) . 2_656 ?
S00L Ag0A Ag0C 119.08(7) . . ?
S00L Ag0A Ag0D 117.79(7) . 2_656 ?
S00L Ag0A Ag0E 124.41(7) . . ?
Pt02 Ag0B Ag09 59.38(3) . 2_656 ?
Pt02 Ag0B Ag0A 59.25(2) . 2_656 ?
Pt02 Ag0B Ag0C 58.28(2) . . ?
Pt02 Ag0B Ag0D 57.95(3) . . ?
Pt02 Ag0B Ag0E 58.44(2) . . ?
Ag09 Ag0B Ag0C 61.90(3) 2_656 . ?
Ag09 Ag0B Ag0D 109.12(3) 2_656 . ?
Ag09 Ag0B Ag0E 109.42(3) 2_656 . ?
Ag0A Ag0B Ag09 61.48(3) 2_656 2_656 ?
Ag0A Ag0B Ag0C 110.06(3) 2_656 . ?
Ag0A Ag0B Ag0D 60.33(2) 2_656 . ?
Ag0A Ag0B Ag0E 108.15(3) 2_656 . ?
Ag0C Ag0B Ag0D 106.37(3) . . ?
Ag0C Ag0B Ag0E 59.19(2) . . ?
Ag0E Ag0B Ag0D 58.47(3) . . ?
S00R Ag0B Pt02 174.52(7) . . ?
S00R Ag0B Ag09 118.05(8) . 2_656 ?
S00R Ag0B Ag0A 115.33(7) . 2_656 ?
S00R Ag0B Ag0C 125.67(7) . . ?
S00R Ag0B Ag0D 121.09(8) . . ?
S00R Ag0B Ag0E 126.35(7) . . ?
Pt02 Ag0C Ag09 58.06(3) . 2_656 ?
Pt02 Ag0C Ag0A 58.71(2) . . ?
Pt02 Ag0C Ag0B 58.21(2) . . ?
Pt02 Ag0C Ag0D 58.48(3) . 2_656 ?
Pt02 Ag0C Ag0E 59.07(2) . . ?
Ag0A Ag0C Ag09 107.65(3) . 2_656 ?
Ag0A Ag0C Ag0B 109.68(3) . . ?
Ag0A Ag0C Ag0D 60.39(2) . 2_656 ?
Ag0B Ag0C Ag09 58.30(2) . 2_656 ?
Ag0B Ag0C Ag0D 106.55(3) . 2_656 ?
Ag0D Ag0C Ag09 58.91(3) 2_656 2_656 ?
Ag0E Ag0C Ag09 107.99(3) . 2_656 ?
Ag0E Ag0C Ag0A 62.21(3) . . ?
Ag0E Ag0C Ag0B 61.00(3) . . ?
Ag0E Ag0C Ag0D 109.92(3) . 2_656 ?
S00P Ag0C Pt02 177.58(7) . . ?
S00P Ag0C Ag09 122.83(7) . 2_656 ?
S00P Ag0C Ag0A 121.88(7) . . ?
S00P Ag0C Ag0B 119.98(7) . . ?
S00P Ag0C Ag0D 123.94(7) . 2_656 ?
S00P Ag0C Ag0E 118.84(7) . . ?
Pt02 Ag0D Ag09 58.63(3) . . ?
Pt02 Ag0D Ag0A 58.05(2) . 2_656 ?
Pt02 Ag0D Ag0B 57.134(19) . . ?
Pt02 Ag0D Ag0C 57.72(2) . 2_656 ?
Pt02 Ag0D Ag0E 58.80(2) . . ?
Pt02 Ag0D Ag0G 108.26(3) . . ?
Ag09 Ag0D Ag0A 108.50(3) . 2_656 ?
Ag09 Ag0D Ag0B 107.87(3) . . ?
Ag09 Ag0D Ag0C 61.14(3) . 2_656 ?
Ag09 Ag0D Ag0G 60.03(3) . . ?
Ag0A Ag0D Ag0B 57.79(3) 2_656 . ?
Ag0A Ag0D Ag0G 166.32(3) 2_656 . ?
Ag0B Ag0D Ag0G 116.37(4) . . ?
Ag0C Ag0D Ag0A 59.22(3) 2_656 2_656 ?
Ag0C Ag0D Ag0B 105.28(3) 2_656 . ?
Ag0C Ag0D Ag0G 115.15(3) 2_656 . ?
Ag0E Ag0D Ag09 60.96(3) . . ?
Ag0E Ag0D Ag0A 107.45(3) . 2_656 ?
Ag0E Ag0D Ag0B 60.15(3) . . ?
Ag0E Ag0D Ag0C 108.98(4) . 2_656 ?
Ag0E Ag0D Ag0G 61.26(3) . . ?
S00M Ag0D Pt02 160.46(7) . . ?
S00M Ag0D Ag09 102.62(7) . . ?
S00M Ag0D Ag0A 140.29(6) . 2_656 ?
S00M Ag0D Ag0B 133.08(7) . . ?
S00M Ag0D Ag0C 120.60(7) . 2_656 ?
S00M Ag0D Ag0E 108.97(7) . . ?
S00M Ag0D Ag0G 53.27(6) . . ?
Pt02 Ag0E Ag09 58.16(3) . . ?
Pt02 Ag0E Ag0A 57.34(2) . . ?
Pt02 Ag0E Ag0B 57.54(2) . . ?
Pt02 Ag0E Ag0C 58.22(2) . . ?
Pt02 Ag0E Ag0D 58.72(3) . . ?
Pt02 Ag0E Ag0G 108.64(3) . . ?
Ag09 Ag0E Ag0A 59.07(2) . . ?
Ag09 Ag0E Ag0B 107.84(4) . . ?
Ag09 Ag0E Ag0G 59.83(3) . . ?
Ag0A Ag0E Ag0G 112.11(4) . . ?
Ag0B Ag0E Ag0A 106.28(3) . . ?
Ag0B Ag0E Ag0G 117.95(3) . . ?
Ag0C Ag0E Ag09 107.18(3) . . ?
Ag0C Ag0E Ag0A 59.04(3) . . ?
Ag0C Ag0E Ag0B 59.81(3) . . ?
Ag0C Ag0E Ag0D 109.20(3) . . ?
Ag0C Ag0E Ag0G 166.38(3) . . ?
Ag0D Ag0E Ag09 59.70(3) . . ?
Ag0D Ag0E Ag0A 107.03(3) . . ?
Ag0D Ag0E Ag0B 61.38(3) . . ?
Ag0D Ag0E Ag0G 61.80(3) . . ?
S00S Ag0E Pt02 162.70(8) . . ?
S00S Ag0E Ag09 105.86(9) . . ?
S00S Ag0E Ag0A 122.64(8) . . ?
S00S Ag0E Ag0B 129.95(8) . . ?
S00S Ag0E Ag0C 138.50(7) . . ?
S00S Ag0E Ag0D 108.85(7) . . ?
S00S Ag0E Ag0G 54.32(7) . . ?
Ag04 Ag0F Ag06 56.79(3) . . ?
Ag04 Ag0F Ag08 57.47(2) . . ?
Ag08 Ag0F Ag06 56.75(2) . . ?
S00J Ag0F Ag04 52.41(6) . . ?
S00J Ag0F Ag06 98.81(6) . . ?
S00J Ag0F Ag08 105.75(6) . . ?
S00J Ag0F S00K 124.19(9) . . ?
S00J Ag0F S00N 119.02(9) . . ?
S00K Ag0F Ag04 101.48(6) . . ?
S00K Ag0F Ag06 103.01(6) . . ?
S00K Ag0F Ag08 52.11(6) . . ?
S00K Ag0F S00N 114.83(9) . . ?
S00N Ag0F Ag04 104.26(6) . . ?
S00N Ag0F Ag06 51.70(5) . . ?
S00N Ag0F Ag08 97.91(6) . . ?
Ag09 Ag0G Ag0D 57.68(2) . . ?
Ag09 Ag0G Ag0E 58.65(3) . . ?
Ag0E Ag0G Ag0D 56.95(3) . . ?
S00M Ag0G Ag09 100.03(7) . . ?
S00M Ag0G Ag0D 52.51(6) . . ?
S00M Ag0G Ag0E 104.35(7) . . ?
S00M Ag0G S00O 115.15(9) . . ?
S00M Ag0G S00S 124.69(10) . . ?
S00O Ag0G Ag09 52.69(6) . . ?
S00O Ag0G Ag0D 103.70(7) . . ?
S00O Ag0G Ag0E 104.00(7) . . ?
S00S Ag0G Ag09 102.68(7) . . ?
S00S Ag0G Ag0D 102.34(8) . . ?
S00S Ag0G Ag0E 51.80(7) . . ?
S00S Ag0G S00O 118.81(10) . . ?
C01A S00H Ag03 117.2(3) . . ?
C01A S00H C01G 104.9(4) . . ?
C01A S00H C01Q 103.1(4) . . ?
C01G S00H Ag03 115.2(3) . . ?
C01G S00H C01Q 103.2(4) . . ?
C01Q S00H Ag03 111.8(3) . . ?
C01W S00I Ag05 119.2(3) . . ?
C01Z S00I Ag05 112.8(3) . . ?
C01Z S00I C01W 102.0(4) . . ?
C02B S00I Ag05 110.9(3) . . ?
C02B S00I C01W 105.5(4) . . ?
C02B S00I C01Z 105.3(5) . . ?
Ag04 S00J Ag0F 74.31(7) . . ?
C024 S00J Ag04 102.5(3) . . ?
C024 S00J Ag0F 100.8(4) . . ?
Ag08 S00K Ag0F 74.33(7) . . ?
C02Y S00K Ag08 101.4(4) . . ?
C02Y S00K Ag0F 101.2(4) . . ?
C012 S00L Ag0A 119.4(3) . . ?
C018 S00L Ag0A 109.8(3) . . ?
C018 S00L C012 103.2(4) . . ?
C018 S00L C02A 107.5(4) . . ?
C02A S00L Ag0A 112.5(3) . . ?
C02A S00L C012 103.4(4) . . ?
Ag0D S00M Ag0G 74.22(7) . . ?
C02O S00M Ag0D 102.3(3) . . ?
C02O S00M Ag0G 102.6(3) . . ?
Ag06 S00N Ag0F 74.92(7) . . ?
C02X S00N Ag06 101.6(3) . . ?
C02X S00N Ag0F 101.1(3) . . ?
Ag09 S00O Ag0G 71.97(7) . . ?
C03V S00O Ag09 103.3(3) . . ?
C03V S00O Ag0G 98.0(4) . . ?
C01J S00P Ag0C 116.6(3) . . ?
C01J S00P C01S 105.4(5) . . ?
C01J S00P C02H 102.5(5) . . ?
C01S S00P Ag0C 111.8(3) . . ?
C01S S00P C02H 105.0(4) . . ?
C02H S00P Ag0C 114.3(3) . . ?
C01D S00Q Ag07 117.0(3) . . ?
C01D S00Q C01H 104.6(4) . . ?
C01D S00Q C01Y 103.7(4) . . ?
C01H S00Q Ag07 112.0(3) . . ?
C01Y S00Q Ag07 113.7(3) . . ?
C01Y S00Q C01H 104.7(4) . . ?
C01U S00R Ag0B 113.2(3) . . ?
C01U S00R C02L 103.2(5) . . ?
C01U S00R C04F 105.9(5) . . ?
C02L S00R Ag0B 117.5(4) . . ?
C02L S00R C04F 107.3(6) . . ?
C04F S00R Ag0B 109.0(4) . . ?
Ag0E S00S Ag0G 73.88(8) . . ?
C05E S00S Ag0E 107.0(5) . . ?
C05E S00S Ag0G 99.1(4) . . ?
C021 O00T C05G 117.5(8) . . ?
C02D O00U C04T 117.8(9) . . ?
C01M O00W C051 115.9(8) . . ?
O041 C00X H 120.8 . . ?
C05A C00X H 120.8 . . ?
C05A C00X O041 118.4(11) . . ?
C02C O00Y C056 116.6(9) . . ?
C02P O00Z C055 116.3(9) . . ?
C02W O010 C04S 117.3(9) . . ?
C02S O011 C052 116.7(8) . . ?
C019 C012 S00L 119.4(7) . . ?
C019 C012 C038 118.4(9) . . ?
C038 C012 S00L 122.2(8) . . ?
C04B O013 C05I 114.8(10) . . ?
C03W O014 C05C 119.0(11) . . ?
C01V C015 H015 119.0 . . ?
C01W C015 H015 119.0 . . ?
C01W C015 C01V 121.9(9) . . ?
C01H C016 H016 119.1 . . ?
C01H C016 C01O 121.9(9) . . ?
C01O C016 H016 119.1 . . ?
C03S O017 C33 116.0(12) . . ?
C01E C018 S00L 120.5(7) . . ?
C01E C018 C02N 116.9(9) . . ?
C02N C018 S00L 122.4(7) . . ?
C012 C019 HA 119.3 . . ?
C036 C019 C012 121.3(9) . . ?
C036 C019 HA 119.3 . . ?
C01T C01A S00H 119.7(7) . . ?
C01T C01A C023 117.8(9) . . ?
C023 C01A S00H 122.4(7) . . ?
C02V O01B C05B 118.1(9) . . ?
C01N C01C HB 119.1 . . ?
C01S C01C HB 119.1 . . ?
C01S C01C C01N 121.8(9) . . ?
C022 C01D S00Q 121.9(7) . . ?
C022 C01D C02M 115.5(9) . . ?
C02M C01D S00Q 122.6(7) . . ?
C018 C01E HC 118.2 . . ?
C018 C01E C02R 123.5(9) . . ?
C02R C01E HC 118.2 . . ?
C042 O01F C05N 119.1(11) . . ?
C02G C01G S00H 119.0(7) . . ?
C02G C01G C034 118.4(9) . . ?
C034 C01G S00H 122.3(8) . . ?
C016 C01H S00Q 120.5(7) . . ?
C016 C01H C020 117.6(9) . . ?
C020 C01H S00Q 122.0(7) . . ?
C04J O01I C05Y 115.8(10) . . ?
C02U C01J S00P 125.0(8) . . ?
C04O C01J S00P 117.1(8) . . ?
C04O C01J C02U 117.9(9) . . ?
C01P C01K H01K 120.1 . . ?
C021 C01K H01K 120.1 . . ?
C021 C01K C01P 119.8(9) . . ?
C03Q O01L C05X 117.5(11) . . ?
O00W C01M C025 116.8(9) . . ?
O00W C01M C029 124.9(9) . . ?
C025 C01M C029 118.3(9) . . ?
C01C C01N HD 120.1 . . ?
C02D C01N C01C 119.7(9) . . ?
C02D C01N HD 120.1 . . ?
C016 C01O H01O 120.6 . . ?
C02W C01O C016 118.8(9) . . ?
C02W C01O H01O 120.6 . . ?
C01K C01P H01P 119.1 . . ?
C01Q C01P C01K 121.8(9) . . ?
C01Q C01P H01P 119.1 . . ?
C01P C01Q S00H 121.0(7) . . ?
C01P C01Q C03H 117.9(8) . . ?
C03H C01Q S00H 121.1(7) . . ?
C02B C01R H01R 119.2 . . ?
C030 C01R H01R 119.2 . . ?
C030 C01R C02B 121.6(10) . . ?
C01C C01S S00P 119.3(7) . . ?
C01C C01S C03U 118.1(9) . . ?
C03U C01S S00P 122.5(7) . . ?
C01A C01T H01T 118.9 . . ?
C029 C01T C01A 122.2(9) . . ?
C029 C01T H01T 118.9 . . ?
C02I C01U S00R 124.7(8) . . ?
C02I C01U C03O 117.0(9) . . ?
C03O C01U S00R 118.3(8) . . ?
C015 C01V H01V 120.7 . . ?
C02S C01V C015 118.5(10) . . ?
C02S C01V H01V 120.7 . . ?
C015 C01W S00I 118.2(7) . . ?
C015 C01W C04D 118.0(9) . . ?
C04D C01W S00I 123.8(8) . . ?
C05W O01X C02Q 117.4(13) . . ?
C027 C01Y S00Q 122.3(7) . . ?
C028 C01Y S00Q 118.9(7) . . ?
C028 C01Y C027 118.7(9) . . ?
C02J C01Z S00I 118.5(7) . . ?
C02Z C01Z S00I 124.5(8) . . ?
C02Z C01Z C02J 117.0(9) . . ?
C01H C020 H020 118.8 . . ?
C01H C020 C02E 122.4(10) . . ?
C02E C020 H020 118.8 . . ?
O00T C021 C048 115.2(9) . . ?
C01K C021 O00T 125.2(9) . . ?
C01K C021 C048 119.6(9) . . ?
C01D C022 H022 118.0 . . ?
C03G C022 C01D 123.9(10) . . ?
C03G C022 H022 118.0 . . ?
C01A C023 H023 120.0 . . ?
C025 C023 C01A 120.0(9) . . ?
C025 C023 H023 120.0 . . ?
S00J C024 H02A 109.1 . . ?
S00J C024 H02B 109.1 . . ?
H02A C024 H02B 107.9 . . ?
C046 C024 S00J 112.3(7) . . ?
C046 C024 H02A 109.1 . . ?
C046 C024 H02B 109.1 . . ?
C01M C025 H025 119.0 . . ?
C023 C025 C01M 122.0(9) . . ?
C023 C025 H025 119.0 . . ?
C028 C026 H026 120.2 . . ?
C02C C026 H026 120.2 . . ?
C02C C026 C028 119.6(10) . . ?
C01Y C027 H027 120.0 . . ?
C02T C027 C01Y 120.1(10) . . ?
C02T C027 H027 120.0 . . ?
C01Y C028 C026 120.7(9) . . ?
C01Y C028 H028 119.6 . . ?
C026 C028 H028 119.6 . . ?
C01M C029 H029 120.2 . . ?
C01T C029 C01M 119.6(9) . . ?
C01T C029 H029 120.2 . . ?
C037 C02A S00L 118.5(7) . . ?
C037 C02A C03E 117.9(9) . . ?
C03E C02A S00L 123.6(8) . . ?
C01R C02B S00I 119.2(7) . . ?
C040 C02B S00I 123.8(8) . . ?
C040 C02B C01R 116.9(10) . . ?
C026 C02C O00Y 124.1(10) . . ?
C026 C02C C02T 120.7(10) . . ?
C02T C02C O00Y 115.2(9) . . ?
O00U C02D C01N 124.6(9) . . ?
C031 C02D O00U 115.6(9) . . ?
C031 C02D C01N 119.8(10) . . ?
C020 C02E H02E 120.8 . . ?
C020 C02E C02W 118.4(10) . . ?
C02W C02E H02E 120.8 . . ?
C02G C02F H02F 120.3 . . ?
C03Q C02F H02F 120.3 . . ?
C03Q C02F C02G 119.3(10) . . ?
C01G C02G C02F 120.5(9) . . ?
C01G C02G H02G 119.7 . . ?
C02F C02G H02G 119.7 . . ?
C03D C02H S00P 120.5(8) . . ?
C03D C02H C03L 117.8(10) . . ?
C03L C02H S00P 121.6(9) . . ?
C01U C02I HE 119.3 . . ?
C01U C02I C03I 121.4(10) . . ?
C03I C02I HE 119.3 . . ?
C01Z C02J H02J 118.3 . . ?
C01Z C02J C03C 123.4(10) . . ?
C03C C02J H02J 118.3 . . ?
C02V C02K HF 120.1 . . ?
C02V C02K C037 119.8(10) . . ?
C037 C02K HF 120.1 . . ?
C03B C02L S00R 121.3(8) . . ?
C03B C02L C05F 118.3(11) . . ?
C05F C02L S00R 120.3(9) . . ?
C01D C02M H02M 119.6 . . ?
C03T C02M C01D 120.7(10) . . ?
C03T C02M H02M 119.6 . . ?
C018 C02N HG 119.6 . . ?
C03Y C02N C018 120.8(10) . . ?
C03Y C02N HG 119.6 . . ?
S00M C02O HH 109.2 . . ?
S00M C02O HI 109.2 . . ?
HH C02O HI 107.9 . . ?
C03P C02O S00M 112.0(7) . . ?
C03P C02O HH 109.2 . . ?
C03P C02O HI 109.2 . . ?
O00Z C02P C03I 116.9(10) . . ?
O00Z C02P C03N 123.2(10) . . ?
C03I C02P C03N 119.9(10) . . ?
O01X C02Q C035 125.1(12) . . ?
O01X C02Q C04C 115.0(11) . . ?
C035 C02Q C04C 119.8(10) . . ?
C01E C02R HJ 120.9 . . ?
C042 C02R C01E 118.3(10) . . ?
C042 C02R HJ 120.9 . . ?
O011 C02S C01V 123.8(10) . . ?
O011 C02S C043 116.2(9) . . ?
C01V C02S C043 120.0(9) . . ?
C027 C02T C02C 120.2(10) . . ?
C027 C02T H02T 119.9 . . ?
C02C C02T H02T 119.9 . . ?
C01J C02U HK 119.4 . . ?
C035 C02U C01J 121.2(10) . . ?
C035 C02U HK 119.4 . . ?
O01B C02V C02K 125.2(10) . . ?
O01B C02V C03J 116.7(9) . . ?
C02K C02V C03J 118.0(10) . . ?
O010 C02W C02E 114.8(9) . . ?
C01O C02W O010 124.3(10) . . ?
C01O C02W C02E 120.9(9) . . ?
S00N C02X H02C 108.9 . . ?
S00N C02X H02D 108.9 . . ?
H02C C02X H02D 107.7 . . ?
C03M C02X S00N 113.2(7) . . ?
C03M C02X H02C 108.9 . . ?
C03M C02X H02D 108.9 . . ?
S00K C02Y H02H 108.3 . . ?
S00K C02Y H02I 108.3 . . ?
H02H C02Y H02I 107.4 . . ?
C04W C02Y S00K 115.9(9) . . ?
C04W C02Y H02H 108.3 . . ?
C04W C02Y H02I 108.3 . . ?
C01Z C02Z H02Z 119.2 . . ?
C01Z C02Z C03X 121.6(10) . . ?
C03X C02Z H02Z 119.2 . . ?
C01R C030 H030 120.1 . . ?
C04G C030 C01R 119.7(12) . . ?
C04G C030 H030 120.1 . . ?
C02D C031 HL 119.9 . . ?
C02D C031 C03U 120.2(9) . . ?
C03U C031 HL 119.9 . . ?
C04G O032 C063 120.0(13) . . ?
C04I C033 C03P 120.7(11) . . ?
C04U C033 C03P 121.5(12) . . ?
C04U C033 C04I 117.9(11) . . ?
C01G C034 H034 119.1 . . ?
C03Z C034 C01G 121.9(11) . . ?
C03Z C034 H034 119.1 . . ?
C02Q C035 C02U 118.9(11) . . ?
C02Q C035 HM 120.5 . . ?
C02U C035 HM 120.5 . . ?
C019 C036 HN 119.9 . . ?
C019 C036 O041 120.2(10) . . ?
O041 C036 HN 119.9 . . ?
C02A C037 C02K 121.9(9) . . ?
C02A C037 HO 119.0 . . ?
C02K C037 HO 119.0 . . ?
C012 C038 HP 119.1 . . ?
C04P C038 C012 121.8(10) . . ?
C04P C038 HP 119.1 . . ?
C04H C039 C04A 119.6(12) . . ?
C05S C039 C04A 121.1(13) . . ?
C05S C039 C04H 119.2(13) . . ?
C044 C03A C046 123.3(11) . . ?
C044 C03A C04M 115.8(10) . . ?
C04M C03A C046 120.8(11) . . ?
C02L C03B HQ 119.6 . . ?
C02L C03B C03R 120.8(10) . . ?
C03R C03B HQ 119.6 . . ?
C02J C03C H03C 121.2 . . ?
C04B C03C C02J 117.5(10) . . ?
C04B C03C H03C 121.2 . . ?
C02H C03D HR 119.5 . . ?
C02H C03D C03F 121.1(10) . . ?
C03F C03D HR 119.5 . . ?
C02A C03E HS 119.8 . . ?
C03J C03E C02A 120.4(10) . . ?
C03J C03E HS 119.8 . . ?
C03D C03F HT 120.7 . . ?
C03S C03F C03D 118.5(11) . . ?
C03S C03F HT 120.7 . . ?
C022 C03G H03G 120.7 . . ?
C022 C03G C04J 118.6(10) . . ?
C04J C03G H03G 120.7 . . ?
C01Q C03H H03H 120.0 . . ?
C048 C03H C01Q 120.0(10) . . ?
C048 C03H H03H 120.0 . . ?
C02I C03I HU 119.9 . . ?
C02P C03I C02I 120.2(10) . . ?
C02P C03I HU 119.9 . . ?
C02V C03J HV 119.0 . . ?
C03E C03J C02V 122.0(10) . . ?
C03E C03J HV 119.0 . . ?
C045 C03K C03M 119.7(10) . . ?
C045 C03K C053 118.6(11) . . ?
C053 C03K C03M 121.7(11) . . ?
C02H C03L HW 118.8 . . ?
C047 C03L C02H 122.5(12) . . ?
C047 C03L HW 118.8 . . ?
C02X C03M H03A 108.8 . . ?
C02X C03M H03B 108.8 . . ?
C03K C03M C02X 113.7(9) . . ?
C03K C03M H03A 108.8 . . ?
C03K C03M H03B 108.8 . . ?
H03A C03M H03B 107.7 . . ?
C02P C03N HX 120.8 . . ?
C03O C03N C02P 118.3(10) . . ?
C03O C03N HX 120.8 . . ?
C01U C03O HY 118.4 . . ?
C03N C03O C01U 123.3(10) . . ?
C03N C03O HY 118.4 . . ?
C02O C03P HZ 109.2 . . ?
C02O C03P H1 109.2 . . ?
C033 C03P C02O 112.2(9) . . ?
C033 C03P HZ 109.2 . . ?
C033 C03P H1 109.2 . . ?
HZ C03P H1 107.9 . . ?
O01L C03Q C03Z 114.5(11) . . ?
C02F C03Q O01L 125.8(12) . . ?
C02F C03Q C03Z 119.6(10) . . ?
C03B C03R H2 119.6 . . ?
C03W C03R C03B 120.7(11) . . ?
C03W C03R H2 119.6 . . ?
O017 C03S C03F 113.6(13) . . ?
C047 C03S O017 125.3(11) . . ?
C047 C03S C03F 121.0(11) . . ?
C02M C03T H03T 119.5 . . ?
C04J C03T C02M 120.9(10) . . ?
C04J C03T H03T 119.5 . . ?
C01S C03U H3 119.9 . . ?
C031 C03U C01S 120.3(9) . . ?
C031 C03U H3 119.9 . . ?
S00O C03V H4 109.4 . . ?
S00O C03V H5 109.4 . . ?
H4 C03V H5 108.0 . . ?
C04A C03V S00O 111.1(7) . . ?
C04A C03V H4 109.4 . . ?
C04A C03V H5 109.4 . . ?
C03R C03W O014 116.1(11) . . ?
C058 C03W O014 124.9(12) . . ?
C058 C03W C03R 119.0(12) . . ?
C02Z C03X H03X 120.7 . . ?
C04B C03X C02Z 118.6(10) . . ?
C04B C03X H03X 120.7 . . ?
C02N C03Y H6 119.9 . . ?
C02N C03Y C042 120.3(9) . . ?
C042 C03Y H6 119.9 . . ?
C034 C03Z C03Q 120.1(11) . . ?
C034 C03Z H03Z 120.0 . . ?
C03Q C03Z H03Z 120.0 . . ?
C02B C040 H040 118.9 . . ?
C02B C040 C049 122.2(11) . . ?
C049 C040 H040 118.9 . . ?
C00X O041 C036 124.8(12) . . ?
C00X O041 C04P 117.9(11) . . ?
C04P O041 C036 117.3(11) . . ?
O01F C042 C02R 123.8(10) . . ?
O01F C042 C03Y 116.0(9) . . ?
C02R C042 C03Y 120.1(9) . . ?
C02S C043 H043 119.4 . . ?
C04D C043 C02S 121.1(9) . . ?
C04D C043 H043 119.4 . . ?
C03A C044 H044 119.5 . . ?
C03A C044 C04Y 120.9(12) . . ?
C04Y C044 H044 119.5 . . ?
C03K C045 H045 119.9 . . ?
C03K C045 C057 120.2(11) . . ?
C057 C045 H045 119.9 . . ?
C024 C046 C03A 113.6(9) . . ?
C024 C046 H04A 108.8 . . ?
C024 C046 H04B 108.8 . . ?
C03A C046 H04A 108.8 . . ?
C03A C046 H04B 108.8 . . ?
H04A C046 H04B 107.7 . . ?
C03L C047 H7 120.4 . . ?
C03S C047 C03L 119.1(11) . . ?
C03S C047 H7 120.4 . . ?
C021 C048 C03H 120.9(10) . . ?
C021 C048 H048 119.6 . . ?
C03H C048 H048 119.6 . . ?
C040 C049 H049 121.0 . . ?
C04G C049 C040 118.0(11) . . ?
C04G C049 H049 121.0 . . ?
C039 C04A H8 109.0 . . ?
C039 C04A H9 109.0 . . ?
C03V C04A C039 112.9(9) . . ?
C03V C04A H8 109.0 . . ?
C03V C04A H9 109.0 . . ?
H8 C04A H9 107.8 . . ?
O013 C04B C03X 113.7(10) . . ?
C03C C04B O013 124.4(11) . . ?
C03C C04B C03X 121.7(10) . . ?
C02Q C04C H10 119.8 . . ?
C04O C04C C02Q 120.4(11) . . ?
C04O C04C H10 119.8 . . ?
C01W C04D H04D 119.8 . . ?
C043 C04D C01W 120.5(10) . . ?
C043 C04D H04D 119.8 . . ?
C050 C04E H11 121.0 . . ?
C059 C04E H11 121.0 . . ?
C059 C04E C050 118.0(12) . . ?
C04Q C04F S00R 124.0(13) . . ?
C04Q C04F C04X 117.2(13) . . ?
C04X C04F S00R 118.7(10) . . ?
C030 C04G O032 115.8(13) . . ?
C030 C04G C049 121.5(11) . . ?
C049 C04G O032 122.7(12) . . ?
C039 C04H H12 117.6 . . ?
C05R C04H C039 124.7(18) . . ?
C05R C04H H12 117.6 . . ?
C033 C04I H13 119.6 . . ?
C033 C04I C050 120.8(11) . . ?
C050 C04I H13 119.6 . . ?
C03G C04J O01I 123.5(10) . . ?
C03T C04J O01I 116.2(11) . . ?
C03T C04J C03G 120.2(10) . . ?
C04Q C04K H14 122.1 . . ?
C05J C04K H14 122.1 . . ?
C05J C04K C04Q 116(2) . . ?
C061 O04L C05J 94(2) . . ?
C03A C04M H04M 118.3 . . ?
C05D C04M C03A 123.3(12) . . ?
C05D C04M H04M 118.3 . . ?
C04R C04N C04W 121.1(13) . . ?
C04R C04N C32 113.7(13) . . ?
C32 C04N C04W 125.0(14) . . ?
C01J C04O H15 119.1 . . ?
C04C C04O C01J 121.7(11) . . ?
C04C C04O H15 119.1 . . ?
C038 C04P O041 121.0(11) . . ?
C038 C04P H16 119.5 . . ?
O041 C04P H16 119.5 . . ?
C04F C04Q C04K 121.3(18) . . ?
C04F C04Q H17 119.3 . . ?
C04K C04Q H17 119.3 . . ?
C04N C04R H04R 115.6 . . ?
C04N C04R C05O 128.8(15) . . ?
C05O C04R H04R 115.6 . . ?
O010 C04S H04C 109.5 . . ?
O010 C04S H04E 109.5 . . ?
O010 C04S H04F 109.5 . . ?
H04C C04S H04E 109.5 . . ?
H04C C04S H04F 109.5 . . ?
H04E C04S H04F 109.5 . . ?
O00U C04T H18 109.5 . . ?
O00U C04T H19 109.5 . . ?
O00U C04T H20 109.5 . . ?
H18 C04T H19 109.5 . . ?
H18 C04T H20 109.5 . . ?
H19 C04T H20 109.5 . . ?
C033 C04U H21 120.2 . . ?
C033 C04U C059 119.6(13) . . ?
C059 C04U H21 120.2 . . ?
C053 C04V H04V 119.8 . . ?
C054 C04V H04V 119.8 . . ?
C054 C04V C053 120.4(12) . . ?
C02Y C04W C04N 114.9(11) . . ?
C02Y C04W H04G 108.5 . . ?
C02Y C04W H04H 108.5 . . ?
C04N C04W H04G 108.5 . . ?
C04N C04W H04H 108.5 . . ?
H04G C04W H04H 107.5 . . ?
C04F C04X H22 119.4 . . ?
C05K C04X C04F 121.1(17) . . ?
C05K C04X H22 119.4 . . ?
C044 C04Y H04Y 119.3 . . ?
C05L C04Y C044 121.4(13) . . ?
C05L C04Y H04Y 119.3 . . ?
C05M C04Z C05T 116.9(15) . . ?
C05M C04Z C060 120.9(16) . . ?
C05T C04Z C060 121.1(15) . . ?
C04E C050 C04I 121.6(12) . . ?
C04E C050 H23 119.2 . . ?
C04I C050 H23 119.2 . . ?
O00W C051 H05A 109.5 . . ?
O00W C051 H05B 109.5 . . ?
O00W C051 H05C 109.5 . . ?
H05A C051 H05B 109.5 . . ?
H05A C051 H05C 109.5 . . ?
H05B C051 H05C 109.5 . . ?
O011 C052 H05D 109.5 . . ?
O011 C052 H05E 109.5 . . ?
O011 C052 H05F 109.5 . . ?
H05D C052 H05E 109.5 . . ?
H05D C052 H05F 109.5 . . ?
H05E C052 H05F 109.5 . . ?
C03K C053 H053 119.6 . . ?
C04V C053 C03K 120.9(12) . . ?
C04V C053 H053 119.6 . . ?
C04V C054 H054 120.6 . . ?
C057 C054 C04V 118.7(12) . . ?
C057 C054 H054 120.6 . . ?
O00Z C055 H24 109.5 . . ?
O00Z C055 H25 109.5 . . ?
O00Z C055 H26 109.5 . . ?
H24 C055 H25 109.5 . . ?
H24 C055 H26 109.5 . . ?
H25 C055 H26 109.5 . . ?
O00Y C056 H05G 109.5 . . ?
O00Y C056 H05H 109.5 . . ?
O00Y C056 H05I 109.5 . . ?
H05G C056 H05H 109.5 . . ?
H05G C056 H05I 109.5 . . ?
H05H C056 H05I 109.5 . . ?
C045 C057 H057 119.4 . . ?
C054 C057 C045 121.3(13) . . ?
C054 C057 H057 119.4 . . ?
C03W C058 H27 119.3 . . ?
C03W C058 C05F 121.3(11) . . ?
C05F C058 H27 119.3 . . ?
C04E C059 C04U 122.1(12) . . ?
C04E C059 H28 119.0 . . ?
C04U C059 H28 119.0 . . ?
C00X C05A H29 109.5 . . ?
C00X C05A H30 109.5 . . ?
C00X C05A H31 109.5 . . ?
H29 C05A H30 109.5 . . ?
H29 C05A H31 109.5 . . ?
H30 C05A H31 109.5 . . ?
O01B C05B H33 109.5 . . ?
O01B C05B H34 109.5 . . ?
O01B C05B H35 109.5 . . ?
H33 C05B H34 109.5 . . ?
H33 C05B H35 109.5 . . ?
H34 C05B H35 109.5 . . ?
O014 C05C H36 109.5 . . ?
O014 C05C H37 109.5 . . ?
O014 C05C H38 109.5 . . ?
H36 C05C H37 109.5 . . ?
H36 C05C H38 109.5 . . ?
H37 C05C H38 109.5 . . ?
C04M C05D H05J 120.3 . . ?
C04M C05D C05L 119.4(13) . . ?
C05L C05D H05J 120.3 . . ?
S00S C05E H39 123.4 . . ?
C060 C05E S00S 113.2(14) . . ?
C060 C05E H39 123.4 . . ?
C02L C05F H40 120.1 . . ?
C058 C05F C02L 119.9(11) . . ?
C058 C05F H40 120.1 . . ?
O00T C05G H05K 109.5 . . ?
O00T C05G H05L 109.5 . . ?
O00T C05G H05M 109.5 . . ?
H05K C05G H05L 109.5 . . ?
H05K C05G H05M 109.5 . . ?
H05L C05G H05M 109.5 . . ?
C05T C05H H41 120.7 . . ?
C05Z C05H H41 120.7 . . ?
C05Z C05H C05T 118.6(17) . . ?
O013 C05I H05N 109.5 . . ?
O013 C05I H05O 109.5 . . ?
O013 C05I H05P 109.5 . . ?
H05N C05I H05O 109.5 . . ?
H05N C05I H05P 109.5 . . ?
H05O C05I H05P 109.5 . . ?
C04K C05J O04L 130(3) . . ?
C04K C05J C05K 127(3) . . ?
C05K C05J O04L 103(3) . . ?
C04X C05K H42 121.2 . . ?
C05J C05K C04X 118(2) . . ?
C05J C05K H42 121.2 . . ?
C04Y C05L C05D 119.1(13) . . ?
C04Y C05L H05Q 120.4 . . ?
C05D C05L H05Q 120.4 . . ?
C04Z C05M H43 119.6 . . ?
C04Z C05M C064 120.7(18) . . ?
C064 C05M H43 119.6 . . ?
O01F C05N H44 109.5 . . ?
O01F C05N H45 109.5 . . ?
O01F C05N H46 109.5 . . ?
H44 C05N H45 109.5 . . ?
H44 C05N H46 109.5 . . ?
H45 C05N H46 109.5 . . ?
C04R C05O H05R 121.4 . . ?
C05Q C05O C04R 117.3(19) . . ?
C05Q C05O H05R 121.4 . . ?
C05O C05Q H05S 117.5 . . ?
C05O C05Q C05V 125.0(19) . . ?
C05V C05Q H05S 117.5 . . ?
C04H C05R H47 121.9 . . ?
C05U C05R C04H 116(2) . . ?
C05U C05R H47 121.9 . . ?
C039 C05S H48 120.7 . . ?
C039 C05S C065 118.6(18) . . ?
C065 C05S H48 120.7 . . ?
C04Z C05T H49 118.5 . . ?
C05H C05T C04Z 122.9(15) . . ?
C05H C05T H49 118.5 . . ?
C05R C05U H50 117.3 . . ?
C05R C05U C065 125(2) . . ?
C065 C05U H50 117.3 . . ?
C05Q C05V H05V 122.0 . . ?
C05Q C05V C32 116.1(15) . . ?
C32 C05V H05V 122.0 . . ?
O01X C05W H51 109.5 . . ?
O01X C05W H52 109.5 . . ?
O01X C05W H53 109.5 . . ?
H51 C05W H52 109.5 . . ?
H51 C05W H53 109.5 . . ?
H52 C05W H53 109.5 . . ?
O01L C05X H05T 109.5 . . ?
O01L C05X H05U 109.5 . . ?
O01L C05X H05W 109.5 . . ?
H05T C05X H05U 109.5 . . ?
H05T C05X H05W 109.5 . . ?
H05U C05X H05W 109.5 . . ?
O01I C05Y H05X 109.5 . . ?
O01I C05Y H05Y 109.5 . . ?
O01I C05Y H54 109.5 . . ?
H05X C05Y H05Y 109.5 . . ?
H05X C05Y H54 109.5 . . ?
H05Y C05Y H54 109.5 . . ?
C05H C05Z H55 119.6 . . ?
C05H C05Z C064 121(2) . . ?
C064 C05Z H55 119.6 . . ?
C04Z C060 H56 120.6 . . ?
C05E C060 C04Z 118.7(18) . . ?
C05E C060 H56 120.6 . . ?
O04L C061 H57 120.0 . . ?
O04L C061 H58 120.0 . . ?
H57 C061 H58 120.0 . . ?
O032 C063 H06A 109.5 . . ?
O032 C063 H06B 109.5 . . ?
O032 C063 H06C 109.5 . . ?
H06A C063 H06B 109.5 . . ?
H06A C063 H06C 109.5 . . ?
H06B C063 H06C 109.5 . . ?
C05M C064 C05Z 119.9(19) . . ?
C05M C064 H59 120.1 . . ?
C05Z C064 H59 120.1 . . ?
C05S C065 H60 122.0 . . ?
C05U C065 C05S 116(2) . . ?
C05U C065 H60 122.0 . . ?
C04N C32 C05V 118.4(15) . . ?
C04N C32 H32 120.8 . . ?
C05V C32 H32 120.8 . . ?
O017 C33 H61 109.5 . . ?
O017 C33 H62 109.5 . . ?
O017 C33 H63 109.5 . . ?
H61 C33 H62 109.5 . . ?
H61 C33 H63 109.5 . . ?
H62 C33 H63 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
Ag03 S00H C01A C01T -80.5(7) . . . . ?
Ag03 S00H C01A C023 97.3(7) . . . . ?
Ag03 S00H C01G C02G 5.5(8) . . . . ?
Ag03 S00H C01G C034 -179.8(8) . . . . ?
Ag03 S00H C01Q C01P -12.4(9) . . . . ?
Ag03 S00H C01Q C03H 169.7(8) . . . . ?
Ag04 S00J C024 C046 -154.2(8) . . . . ?
Ag05 S00I C01W C015 -71.1(8) . . . . ?
Ag05 S00I C01W C04D 106.7(8) . . . . ?
Ag05 S00I C01Z C02J -16.6(10) . . . . ?
Ag05 S00I C01Z C02Z 162.6(9) . . . . ?
Ag05 S00I C02B C01R -11.1(9) . . . . ?
Ag05 S00I C02B C040 165.3(8) . . . . ?
Ag06 S00N C02X C03M -158.5(7) . . . . ?
Ag07 S00Q C01D C022 79.2(9) . . . . ?
Ag07 S00Q C01D C02M -100.4(8) . . . . ?
Ag07 S00Q C01H C016 9.0(9) . . . . ?
Ag07 S00Q C01H C020 -170.3(7) . . . . ?
Ag07 S00Q C01Y C027 -159.1(7) . . . . ?
Ag07 S00Q C01Y C028 21.4(8) . . . . ?
Ag08 S00K C02Y C04W -142.4(10) . . . . ?
Ag09 S00O C03V C04A -146.9(8) . . . . ?
Ag0A S00L C012 C019 -86.2(7) . . . . ?
Ag0A S00L C012 C038 93.7(7) . . . . ?
Ag0A S00L C018 C01E -18.9(9) . . . . ?
Ag0A S00L C018 C02N 166.5(7) . . . . ?
Ag0A S00L C02A C037 -7.7(9) . . . . ?
Ag0A S00L C02A C03E 173.0(8) . . . . ?
Ag0B S00R C01U C02I 97.9(8) . . . . ?
Ag0B S00R C01U C03O -78.4(8) . . . . ?
Ag0B S00R C02L C03B -11.5(10) . . . . ?
Ag0B S00R C02L C05F 164.5(9) . . . . ?
Ag0B S00R C04F C04Q 144.2(9) . . . . ?
Ag0B S00R C04F C04X -33.7(11) . . . . ?
Ag0C S00P C01J C02U -112.9(8) . . . . ?
Ag0C S00P C01J C04O 68.0(9) . . . . ?
Ag0C S00P C01S C01C 13.8(9) . . . . ?
Ag0C S00P C01S C03U -164.5(7) . . . . ?
Ag0C S00P C02H C03D 30.0(10) . . . . ?
Ag0C S00P C02H C03L -152.4(8) . . . . ?
Ag0D S00M C02O C03P -150.0(8) . . . . ?
Ag0E S00S C05E C060 -140.0(14) . . . . ?
Ag0F S00J C024 C046 -78.1(9) . . . . ?
Ag0F S00K C02Y C04W -66.4(11) . . . . ?
Ag0F S00N C02X C03M -81.8(8) . . . . ?
Ag0G S00M C02O C03P -73.7(8) . . . . ?
Ag0G S00O C03V C04A -73.6(8) . . . . ?
Ag0G S00S C05E C060 -64.2(15) . . . . ?
S00H C01A C01T C029 176.7(7) . . . . ?
S00H C01A C023 C025 -176.2(7) . . . . ?
S00H C01G C02G C02F 173.1(7) . . . . ?
S00H C01G C034 C03Z -172.6(10) . . . . ?
S00H C01Q C03H C048 176.7(9) . . . . ?
S00I C01W C04D C043 -179.2(9) . . . . ?
S00I C01Z C02J C03C -178.7(8) . . . . ?
S00I C01Z C02Z C03X 179.7(9) . . . . ?
S00I C02B C040 C049 -175.5(9) . . . . ?
S00J C024 C046 C03A -176.1(9) . . . . ?
S00K C02Y C04W C04N -170.0(10) . . . . ?
S00L C012 C019 C036 -179.7(7) . . . . ?
S00L C012 C038 C04P 179.8(8) . . . . ?
S00L C018 C01E C02R -176.4(9) . . . . ?
S00L C018 C02N C03Y 177.4(9) . . . . ?
S00L C02A C037 C02K -178.6(8) . . . . ?
S00L C02A C03E C03J 177.3(9) . . . . ?
S00M C02O C03P C033 -175.3(9) . . . . ?
S00N C02X C03M C03K -175.1(8) . . . . ?
S00O C03V C04A C039 -176.2(9) . . . . ?
S00P C01J C02U C035 -178.9(8) . . . . ?
S00P C01J C04O C04C 179.7(10) . . . . ?
S00P C01S C03U C031 178.8(8) . . . . ?
S00P C02H C03D C03F 177.3(8) . . . . ?
S00P C02H C03L C047 -177.8(10) . . . . ?
S00Q C01D C022 C03G -177.7(9) . . . . ?
S00Q C01D C02M C03T 176.8(8) . . . . ?
S00Q C01H C020 C02E 177.2(9) . . . . ?
S00Q C01Y C027 C02T -178.5(8) . . . . ?
S00Q C01Y C028 C026 178.1(7) . . . . ?
S00R C01U C02I C03I -175.4(8) . . . . ?
S00R C01U C03O C03N 175.8(8) . . . . ?
S00R C02L C03B C03R 178.5(8) . . . . ?
S00R C02L C05F C058 -177.8(10) . . . . ?
S00R C04F C04Q C04K -178.8(12) . . . . ?
S00R C04F C04X C05K -178.7(12) . . . . ?
S00S C05E C060 C04Z -179.4(13) . . . . ?
O00T C021 C048 C03H 177.9(11) . . . . ?
O00U C02D C031 C03U 178.2(9) . . . . ?
O00W C01M C025 C023 179.0(9) . . . . ?
O00W C01M C029 C01T -178.5(9) . . . . ?
C00X O041 C04P C038 -178.7(9) . . . . ?
O00Y C02C C02T C027 178.9(10) . . . . ?
O00Z C02P C03I C02I 178.6(9) . . . . ?
O00Z C02P C03N C03O -178.4(9) . . . . ?
O011 C02S C043 C04D -179.8(10) . . . . ?
C012 S00L C018 C01E 109.5(8) . . . . ?
C012 S00L C018 C02N -65.1(9) . . . . ?
C012 S00L C02A C037 -137.9(8) . . . . ?
C012 S00L C02A C03E 42.9(10) . . . . ?
C012 C019 C036 O041 0.3(15) . . . . ?
C012 C038 C04P O041 -0.5(15) . . . . ?
O014 C03W C058 C05F 179.2(12) . . . . ?
C015 C01V C02S O011 -179.7(9) . . . . ?
C015 C01V C02S C043 -1.5(15) . . . . ?
C015 C01W C04D C043 -1.4(15) . . . . ?
C016 C01H C020 C02E -2.1(16) . . . . ?
C016 C01O C02W O010 179.2(9) . . . . ?
C016 C01O C02W C02E -0.9(15) . . . . ?
O017 C03S C047 C03L 175.7(11) . . . . ?
C018 S00L C012 C019 151.6(7) . . . . ?
C018 S00L C012 C038 -28.5(8) . . . . ?
C018 S00L C02A C037 113.3(8) . . . . ?
C018 S00L C02A C03E -65.9(10) . . . . ?
C018 C01E C02R C042 0.4(17) . . . . ?
C018 C02N C03Y C042 -2.5(17) . . . . ?
C019 C012 C038 C04P -0.3(14) . . . . ?
C019 C036 O041 C00X 178.8(10) . . . . ?
C019 C036 O041 C04P -1.0(14) . . . . ?
C01A S00H C01G C02G 135.8(8) . . . . ?
C01A S00H C01G C034 -49.4(9) . . . . ?
C01A S00H C01Q C01P -139.1(8) . . . . ?
C01A S00H C01Q C03H 43.0(10) . . . . ?
C01A C01T C029 C01M -0.2(15) . . . . ?
C01A C023 C025 C01M -0.8(14) . . . . ?
O01B C02V C03J C03E -179.4(11) . . . . ?
C01C C01N C02D O00U -179.2(9) . . . . ?
C01C C01N C02D C031 0.8(15) . . . . ?
C01C C01S C03U C031 0.6(15) . . . . ?
C01D S00Q C01H C016 -118.6(8) . . . . ?
C01D S00Q C01H C020 62.1(9) . . . . ?
C01D S00Q C01Y C027 -31.0(9) . . . . ?
C01D S00Q C01Y C028 149.4(7) . . . . ?
C01D C022 C03G C04J 0.0(18) . . . . ?
C01D C02M C03T C04J 1.9(17) . . . . ?
C01E C018 C02N C03Y 2.6(15) . . . . ?
C01E C02R C042 O01F 179.5(11) . . . . ?
C01E C02R C042 C03Y -0.3(17) . . . . ?
C01G S00H C01A C01T 150.4(7) . . . . ?
C01G S00H C01A C023 -31.8(8) . . . . ?
C01G S00H C01Q C01P 111.9(8) . . . . ?
C01G S00H C01Q C03H -66.0(10) . . . . ?
C01G C034 C03Z C03Q 1(2) . . . . ?
C01H S00Q C01D C022 -156.2(9) . . . . ?
C01H S00Q C01D C02M 24.1(9) . . . . ?
C01H S00Q C01Y C027 78.4(9) . . . . ?
C01H S00Q C01Y C028 -101.2(8) . . . . ?
C01H C016 C01O C02W -0.8(14) . . . . ?
C01H C020 C02E C02W 0.5(17) . . . . ?
C01J S00P C01S C01C -113.9(8) . . . . ?
C01J S00P C01S C03U 67.8(9) . . . . ?
C01J S00P C02H C03D 157.1(9) . . . . ?
C01J S00P C02H C03L -25.4(10) . . . . ?
C01J C02U C035 C02Q 0.2(16) . . . . ?
C01K C01P C01Q S00H -178.7(8) . . . . ?
C01K C01P C01Q C03H -0.7(15) . . . . ?
C01K C021 C048 C03H 0.8(18) . . . . ?
O01L C03Q C03Z C034 179.8(12) . . . . ?
C01N C01C C01S S00P -179.9(8) . . . . ?
C01N C01C C01S C03U -1.6(15) . . . . ?
C01N C02D C031 C03U -1.8(15) . . . . ?
C01O C016 C01H S00Q -177.1(7) . . . . ?
C01O C016 C01H C020 2.3(14) . . . . ?
C01P C01K C021 O00T -179.4(10) . . . . ?
C01P C01K C021 C048 -2.7(16) . . . . ?
C01P C01Q C03H C048 -1.2(16) . . . . ?
C01Q S00H C01A C01T 42.7(8) . . . . ?
C01Q S00H C01A C023 -139.5(8) . . . . ?
C01Q S00H C01G C02G -116.6(8) . . . . ?
C01Q S00H C01G C034 58.2(10) . . . . ?
C01Q C03H C048 C021 1.2(19) . . . . ?
C01R C02B C040 C049 0.9(16) . . . . ?
C01R C030 C04G O032 -178.8(10) . . . . ?
C01R C030 C04G C049 2.4(18) . . . . ?
C01S S00P C01J C02U 11.8(10) . . . . ?
C01S S00P C01J C04O -167.3(8) . . . . ?
C01S S00P C02H C03D -92.9(9) . . . . ?
C01S S00P C02H C03L 84.6(10) . . . . ?
C01S C01C C01N C02D 1.0(16) . . . . ?
C01T C01A C023 C025 1.7(13) . . . . ?
C01U S00R C02L C03B -136.8(9) . . . . ?
C01U S00R C02L C05F 39.2(11) . . . . ?
C01U S00R C04F C04Q -93.7(10) . . . . ?
C01U S00R C04F C04X 88.4(11) . . . . ?
C01U C02I C03I C02P -0.7(16) . . . . ?
C01V C015 C01W S00I 179.6(7) . . . . ?
C01V C015 C01W C04D 1.8(14) . . . . ?
C01V C02S C043 C04D 1.8(17) . . . . ?
C01W S00I C01Z C02J -145.7(8) . . . . ?
C01W S00I C01Z C02Z 33.5(11) . . . . ?
C01W S00I C02B C01R 119.3(8) . . . . ?
C01W S00I C02B C040 -64.4(10) . . . . ?
C01W C015 C01V C02S -0.3(15) . . . . ?
O01X C02Q C035 C02U -179.7(11) . . . . ?
O01X C02Q C04C C04O -179.4(11) . . . . ?
C01Y S00Q C01D C022 -46.8(10) . . . . ?
C01Y S00Q C01D C02M 133.5(8) . . . . ?
C01Y S00Q C01H C016 132.6(8) . . . . ?
C01Y S00Q C01H C020 -46.7(9) . . . . ?
C01Y C027 C02T C02C -0.3(17) . . . . ?
C01Z S00I C01W C015 53.8(8) . . . . ?
C01Z S00I C01W C04D -128.4(9) . . . . ?
C01Z S00I C02B C01R -133.3(8) . . . . ?
C01Z S00I C02B C040 43.0(10) . . . . ?
C01Z C02J C03C C04B 0.2(17) . . . . ?
C01Z C02Z C03X C04B -2.1(18) . . . . ?
C020 C02E C02W O010 -179.0(10) . . . . ?
C020 C02E C02W C01O 1.0(16) . . . . ?
C021 C01K C01P C01Q 2.7(15) . . . . ?
C022 C01D C02M C03T -2.9(15) . . . . ?
C022 C03G C04J O01I 176.7(11) . . . . ?
C022 C03G C04J C03T -1.2(19) . . . . ?
C023 C01A C01T C029 -1.2(14) . . . . ?
C025 C01M C029 C01T 1.1(15) . . . . ?
C026 C02C C02T C027 0.1(17) . . . . ?
C027 C01Y C028 C026 -1.5(14) . . . . ?
C028 C01Y C027 C02T 1.0(15) . . . . ?
C028 C026 C02C O00Y -179.2(9) . . . . ?
C028 C026 C02C C02T -0.6(16) . . . . ?
C029 C01M C025 C023 -0.6(15) . . . . ?
C02A S00L C012 C019 39.7(8) . . . . ?
C02A S00L C012 C038 -140.4(7) . . . . ?
C02A S00L C018 C01E -141.6(8) . . . . ?
C02A S00L C018 C02N 43.8(9) . . . . ?
C02A C03E C03J C02V 2.5(18) . . . . ?
C02B S00I C01W C015 163.6(7) . . . . ?
C02B S00I C01W C04D -18.7(10) . . . . ?
C02B S00I C01Z C02J 104.4(9) . . . . ?
C02B S00I C01Z C02Z -76.4(10) . . . . ?
C02B C01R C030 C04G -0.7(17) . . . . ?
C02B C040 C049 C04G 0.7(18) . . . . ?
C02C C026 C028 C01Y 1.3(15) . . . . ?
C02D C031 C03U C01S 1.1(15) . . . . ?
C02F C03Q C03Z C034 -4(2) . . . . ?
C02G C01G C034 C03Z 2.2(17) . . . . ?
C02G C02F C03Q O01L 179.9(11) . . . . ?
C02G C02F C03Q C03Z 4.7(18) . . . . ?
C02H S00P C01J C02U 121.5(9) . . . . ?
C02H S00P C01J C04O -57.6(9) . . . . ?
C02H S00P C01S C01C 138.3(8) . . . . ?
C02H S00P C01S C03U -40.0(9) . . . . ?
C02H C03D C03F C03S -0.3(16) . . . . ?
C02H C03L C047 C03S 1.3(19) . . . . ?
C02I C01U C03O C03N -0.8(15) . . . . ?
C02J C01Z C02Z C03X -1.0(17) . . . . ?
C02J C03C C04B O013 -178.4(11) . . . . ?
C02J C03C C04B C03X -3.6(18) . . . . ?
C02K C02V C03J C03E -1.8(18) . . . . ?
C02L S00R C01U C02I -134.1(9) . . . . ?
C02L S00R C01U C03O 49.6(9) . . . . ?
C02L S00R C04F C04Q 16.0(11) . . . . ?
C02L S00R C04F C04X -161.9(10) . . . . ?
C02L C03B C03R C03W -2.6(16) . . . . ?
C02M C01D C022 C03G 2.0(16) . . . . ?
C02M C03T C04J O01I -177.8(10) . . . . ?
C02M C03T C04J C03G 0.2(19) . . . . ?
C02N C018 C01E C02R -1.6(15) . . . . ?
C02N C03Y C042 O01F -178.5(11) . . . . ?
C02N C03Y C042 C02R 1.3(18) . . . . ?
C02P C03N C03O C01U 0.4(16) . . . . ?
C02Q C04C C04O C01J -1.7(19) . . . . ?
C02S C043 C04D C01W -0.3(17) . . . . ?
C02U C01J C04O C04C 0.5(17) . . . . ?
C02V C02K C037 C02A 0.0(17) . . . . ?
C02Z C01Z C02J C03C 2.0(16) . . . . ?
C02Z C03X C04B O013 179.8(10) . . . . ?
C02Z C03X C04B C03C 4.5(19) . . . . ?
C030 C01R C02B S00I 175.6(8) . . . . ?
C030 C01R C02B C040 -0.9(15) . . . . ?
C033 C04I C050 C04E -1(2) . . . . ?
C033 C04U C059 C04E 0(2) . . . . ?
C034 C01G C02G C02F -1.9(15) . . . . ?
C035 C02Q C04C C04O 2.1(19) . . . . ?
C036 O041 C04P C038 1.1(15) . . . . ?
C037 C02A C03E C03J -1.9(16) . . . . ?
C037 C02K C02V O01B 177.9(11) . . . . ?
C037 C02K C02V C03J 0.5(17) . . . . ?
C038 C012 C019 C036 0.4(13) . . . . ?
C039 C04H C05R C05U 2(3) . . . . ?
C039 C05S C065 C05U 1(3) . . . . ?
C03A C044 C04Y C05L 2(2) . . . . ?
C03A C04M C05D C05L -1.7(19) . . . . ?
C03B C02L C05F C058 -1.6(18) . . . . ?
C03B C03R C03W O014 -178.4(9) . . . . ?
C03B C03R C03W C058 1.9(17) . . . . ?
C03D C02H C03L C047 -0.2(17) . . . . ?
C03D C03F C03S O017 -176.5(10) . . . . ?
C03D C03F C03S C047 1.5(18) . . . . ?
C03E C02A C037 C02K 0.7(16) . . . . ?
C03F C03S C047 C03L -2(2) . . . . ?
C03I C02P C03N C03O -0.2(15) . . . . ?
C03K C045 C057 C054 0(2) . . . . ?
C03L C02H C03D C03F -0.3(16) . . . . ?
C03M C03K C045 C057 176.5(11) . . . . ?
C03M C03K C053 C04V -177.8(10) . . . . ?
C03N C02P C03I C02I 0.3(16) . . . . ?
C03O C01U C02I C03I 0.9(15) . . . . ?
C03P C033 C04I C050 -179.7(11) . . . . ?
C03P C033 C04U C059 179.9(13) . . . . ?
C03Q C02F C02G C01G -1.6(16) . . . . ?
C03R C03W C058 C05F -1.2(19) . . . . ?
C03W C058 C05F C02L 1(2) . . . . ?
C040 C049 C04G C030 -2.4(19) . . . . ?
C040 C049 C04G O032 178.9(11) . . . . ?
C044 C03A C046 C024 -82.0(15) . . . . ?
C044 C03A C04M C05D 1.2(16) . . . . ?
C044 C04Y C05L C05D -2(2) . . . . ?
C045 C03K C03M C02X -75.8(14) . . . . ?
C045 C03K C053 C04V -2.0(17) . . . . ?
C046 C03A C044 C04Y 178.4(11) . . . . ?
C046 C03A C04M C05D -178.4(11) . . . . ?
C04A C039 C04H C05R -179.5(12) . . . . ?
C04A C039 C05S C065 177.6(16) . . . . ?
C04C C02Q C035 C02U -1.4(17) . . . . ?
C04F S00R C01U C02I -21.4(10) . . . . ?
C04F S00R C01U C03O 162.3(8) . . . . ?
C04F S00R C02L C03B 111.6(9) . . . . ?
C04F S00R C02L C05F -72.3(11) . . . . ?
C04F C04X C05K C05J -3(3) . . . . ?
C04H C039 C04A C03V 93.7(13) . . . . ?
C04H C039 C05S C065 0(2) . . . . ?
C04H C05R C05U C065 -1(4) . . . . ?
C04I C033 C03P C02O -87.0(15) . . . . ?
C04I C033 C04U C059 0(2) . . . . ?
C04K C05J C05K C04X 1(4) . . . . ?
O04L C05J C05K C04X 179.3(14) . . . . ?
C04M C03A C044 C04Y -1.2(16) . . . . ?
C04M C03A C046 C024 97.6(13) . . . . ?
C04M C05D C05L C04Y 2(2) . . . . ?
C04N C04R C05O C05Q -11(3) . . . . ?
C04O C01J C02U C035 0.2(16) . . . . ?
C04Q C04F C04X C05K 3(2) . . . . ?
C04Q C04K C05J O04L -176.7(13) . . . . ?
C04Q C04K C05J C05K 2(4) . . . . ?
C04R C04N C04W C02Y -80.4(17) . . . . ?
C04R C04N C32 C05V 0(2) . . . . ?
C04R C05O C05Q C05V 9(3) . . . . ?
C04S O010 C02W C01O -2.0(16) . . . . ?
C04S O010 C02W C02E 178.1(10) . . . . ?
C04T O00U C02D C01N 8.2(15) . . . . ?
C04T O00U C02D C031 -171.7(9) . . . . ?
C04U C033 C03P C02O 92.9(14) . . . . ?
C04U C033 C04I C050 0.5(19) . . . . ?
C04V C054 C057 C045 1(2) . . . . ?
C04W C04N C04R C05O -177.9(14) . . . . ?
C04W C04N C32 C05V -175.5(14) . . . . ?
C04X C04F C04Q C04K -0.9(19) . . . . ?
C04Z C05M C064 C05Z -3(4) . . . . ?
C050 C04E C059 C04U 0(2) . . . . ?
C051 O00W C01M C025 176.6(9) . . . . ?
C051 O00W C01M C029 -3.7(15) . . . . ?
C052 O011 C02S C01V -11.3(16) . . . . ?
C052 O011 C02S C043 170.4(10) . . . . ?
C053 C03K C03M C02X 100.0(12) . . . . ?
C053 C03K C045 C057 0.6(17) . . . . ?
C053 C04V C054 C057 -2(2) . . . . ?
C054 C04V C053 C03K 2.7(19) . . . . ?
C055 O00Z C02P C03I -174.6(10) . . . . ?
C055 O00Z C02P C03N 3.7(15) . . . . ?
C056 O00Y C02C C026 -1.2(16) . . . . ?
C056 O00Y C02C C02T -179.9(11) . . . . ?
C059 C04E C050 C04I 0(2) . . . . ?
C05A C00X O041 C036 -3.9(16) . . . . ?
C05A C00X O041 C04P 175.9(10) . . . . ?
C05B O01B C02V C02K 1.2(18) . . . . ?
C05B O01B C02V C03J 178.6(12) . . . . ?
C05C O014 C03W C03R 176.4(11) . . . . ?
C05C O014 C03W C058 -4.0(18) . . . . ?
C05F C02L C03B C03R 2.4(16) . . . . ?
C05G O00T C021 C01K -3.7(16) . . . . ?
C05G O00T C021 C048 179.4(11) . . . . ?
C05H C05Z C064 C05M -1(4) . . . . ?
C05I O013 C04B C03C -8.6(18) . . . . ?
C05I O013 C04B C03X 176.2(12) . . . . ?
C05J C04K C04Q C04F -1(3) . . . . ?
C05M C04Z C05T C05H 0(3) . . . . ?
C05M C04Z C060 C05E -105(2) . . . . ?
C05N O01F C042 C02R -15.3(19) . . . . ?
C05N O01F C042 C03Y 164.6(13) . . . . ?
C05O C05Q C05V C32 -4(3) . . . . ?
C05Q C05V C32 C04N -1(3) . . . . ?
C05R C05U C065 C05S -1(5) . . . . ?
C05S C039 C04A C03V -83.8(15) . . . . ?
C05S C039 C04H C05R -2(2) . . . . ?
C05T C04Z C05M C064 4(3) . . . . ?
C05T C04Z C060 C05E 88(2) . . . . ?
C05T C05H C05Z C064 5(3) . . . . ?
C05W O01X C02Q C035 6.0(19) . . . . ?
C05W O01X C02Q C04C -172.4(13) . . . . ?
C05X O01L C03Q C02F 7(2) . . . . ?
C05X O01L C03Q C03Z -177.6(15) . . . . ?
C05Y O01I C04J C03G 8.0(18) . . . . ?
C05Y O01I C04J C03T -174.0(12) . . . . ?
C05Z C05H C05T C04Z -5(3) . . . . ?
C060 C04Z C05M C064 -165(2) . . . . ?
C060 C04Z C05T C05H 168.6(17) . . . . ?
C061 O04L C05J C04K -6(3) . . . . ?
C061 O04L C05J C05K 175.1(18) . . . . ?
C063 O032 C04G C030 168.1(14) . . . . ?
C063 O032 C04G C049 -13(2) . . . . ?
C32 C04N C04R C05O 6(2) . . . . ?
C32 C04N C04W C02Y 94.8(18) . . . . ?
C33 O017 C03S C03F 178.6(13) . . . . ?
C33 O017 C03S C047 1(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 -0.009 -0.099 0.200 85.5 18.2 ?
2 0.009 0.099 0.800 85.5 17.9 ?
3 0.000 0.500 0.500 656.4 124.1 ?
4 0.261 -0.034 0.041 29.1 0.0 ?
5 0.268 0.202 0.258 9.3 0.0 ?
6 0.443 0.112 0.932 24.7 1.7 ?
7 0.429 0.748 0.930 46.5 4.6 ?
8 0.476 0.599 0.205 9.8 0.0 ?
9 0.557 0.888 0.068 24.7 1.7 ?
10 0.524 0.401 0.795 9.8 0.0 ?
11 0.571 0.252 0.070 46.5 4.5 ?
12 0.739 0.034 0.959 29.1 0.0 ?
13 0.732 0.798 0.742 9.3 0.0 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
