# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# 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 
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data_20190107d_0m
_audit_block_doi                 10.5517/ccdc.csd.cc21f0zh
_database_code_depnum_ccdc_archive 'CCDC 1889356'
loop_
_audit_author_name
_audit_author_address
'shuxin wang'
;Anhui University
China
;
_audit_update_record             
;
2019-01-08 deposited with the CCDC.	2020-04-21 downloaded from the CCDC.
;
_audit_creation_date             2019-01-08
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2016/4
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'C144 H108 Ag29 P4 S24, C36 H84 N12 Na3 O12, C4 H9 O, 2(C3 H7 N O)'
_chemical_formula_sum            'C190 H215 Ag29 N14 Na3 O15 P4 S24'
_chemical_formula_weight         7025.27
_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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0362 0.0249 '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'
P P 0.1023 0.0942 '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                   22.5850(15)
_cell_length_b                   23.5280(17)
_cell_length_c                   24.3365(17)
_cell_angle_alpha                70.245(3)
_cell_angle_beta                 70.380(3)
_cell_angle_gamma                69.824(3)
_cell_volume                     11066.7(14)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9745
_cell_measurement_temperature    160
_cell_measurement_theta_max      31.616
_cell_measurement_theta_min      2.458
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    2.817
_exptl_absorpt_correction_T_max  0.7463
_exptl_absorpt_correction_T_min  0.3357
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1408 before and 0.0704 after correction. The Ratio of minimum to maximum transmission is 0.4498. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'dark red'
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    2.108
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             6826
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0520
_diffrn_reflns_av_unetI/netI     0.0443
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            203331
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.000
_diffrn_reflns_theta_min         0.918
_diffrn_ambient_temperature      160
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                41999
_reflns_number_total             48232
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.38A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         9.323
_refine_diff_density_min         -3.201
_refine_diff_density_rms         0.162
_refine_ls_extinction_coef       0.000289(12)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2016/4 (Sheldrick 2016)'
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2543
_refine_ls_number_reflns         48232
_refine_ls_number_restraints     13
_refine_ls_R_factor_all          0.0482
_refine_ls_R_factor_gt           0.0402
_refine_ls_restrained_S_all      1.045
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0364P)²+58.9244P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0954
_refine_ls_wR_factor_ref         0.0988
_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. Rigid bond restraints
 Ag14, P4
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 Ag15, P2
 with sigma for 1-2 distances of 0.0001 and sigma for 1-3 distances of 0.0002
 Ag15, S5
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 Ag16, S10
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 Ag16, S11
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 Ag16, S12
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 Ag16, P1
 with sigma for 1-2 distances of 0.0001 and sigma for 1-3 distances of 0.0002
 Ag17, P3
 with sigma for 1-2 distances of 0.0001 and sigma for 1-3 distances of 0.0002
 Ag18, S11
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 Ag24, S9
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 Ag25, S5
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 Ag29, S12
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 Ag17, S7
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
3.a Secondary CH2 refined with riding coordinates:
 C063(H2BA,HE)
3.b Aromatic/amide H refined with riding coordinates:
 C01U(H01U), C01Y(H01Y), C01Z(H01Z), C020(H020), C022(H022), C025(H025),
 C027(H027), C029(H029), C02A(H02A), C02B(H02B), C02D(H02D), C02E(H02E),
 C02G(H02G), C02J(H02J), C02M(H02M), C02N(H02N), C02O(H02O), C02Q(H02Q),
 C02R(H02R), C02T(H02T), C02U(H02U), C02X(H02X), C031(H031), C034(H034),
 C038(H038), C039(H039), C03I(H03I), C03L(H03L), C03O(H03O), C03P(H03P),
 C03Q(H03Q), C03R(H03R), C03S(H03S), C03T(H03T), C03V(H03V), C03W(H03W),
 C03X(H03X), C03Z(H03Z), C041(H041), C042(H042), C047(H047), C048(H048),
 C049(H049), C04A(H04A), C04B(H04B), C04D(H04D), C04E(H04E), C04G(H04G),
 C04J(H04J), C04M(H04M), C04N(H04N), C04O(H04O), C04P(H04P), C04R(H04R),
 C04V(H04V), C04X(H04X), C04Y(H04Y), C04Z(H04Z), C051(H051), C052(H052),
 C053(H053), C054(H054), C056(H056), C057(H057), C058(H058), C059(H059),
 C05A(H05A), C05B(H05B), C05D(H05D), C05E(H05O), C05F(H05F), C05G(H05G),
 C05I(H05I), C05L(H05L), C05M(H05M), C05N(H1BA), C05O(H05), C05Q(H05Q),
 C05S(H2AA), C05T(H3AA), C05U(H05U), C05V(H4AA), C05W(H05W), C05X(H5AA),
 C05Y(H05Y), C05Z(H05Z), C061(H061), C065(H065), C066(H066), C067(H067),
 C068(H068), C069(H069), C06A(H06A), C06B(H06B), C06D(H06D), C06E(H7AA),
 C06F(H06F), C06G(H06G), C06H(H06H), C06I(H06I), C06J(H06J), C06K(H06K),
 C06L(H06L), C06M(H06M), C06N(H06N), C06O(H06O), C06P(H06P), C06R(H06R),
 C06S(H06S), C06U(H06U), C06V(H06V), C06W(H06W), C06X(H06X), C06Z(H06Z),
 C070(H070), C071(H071), C073(H073), C075(H075), C077(H077), C078(H078),
 C07C(H07C), C07D(H07N), C07P(H8BA)
3.c Idealised Me refined as rotating group:
 C055(H05C,H05E,H05H), C05C(H05J,H05K,H05N), C05H(H05P,H05R,H05S), C05K(H05T,
 H05V,H05X), C05P(H0AA,H,HA), C05R(H1AA,HB,HC), C060(H06C,H06E,H06Q), C062(H06T,
 H06Y,HD), C064(H06,HF,HG), C06C(H6AA,HH,HI), C06Q(H8AA,HJ,HK), C06Y(H9AA,HL,
 HM), C072(H3BA,HN,HO), C074(H5BA,HP,HQ), C076(H07A,H07B,H07D), C079(H07E,H07F,
 H07G), C07A(H07H,H07I,H07J), C07B(H07K,H07L,H07M), C07E(H07O,H07P,H07Q),
 C07F(H4BA,HR,HS), C07G(H07R,H07S,H07T), C07H(H07U,H07V,H07W), C07I(H6BA,HT,HU),
  C07J(H07X,H07Y,HV), C07K(H07Z,HW,HX), C07L(H07,HY,HZ), C07M(H0BA,H9BA,H0CA),
 C07O(H7BA,H1CA,H2CA), C14(H14A,H14B,H14C), C15(H15A,H15B,H15C)
;
_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
Ag1 Ag 0.75478(2) 0.25300(2) 0.74196(2) 0.01128(7) Uani 1 1 d . . . . .
Ag5 Ag 0.75805(2) 0.24089(2) 0.63241(2) 0.01715(7) Uani 1 1 d . . . . .
Ag6 Ag 0.84225(2) 0.30276(2) 0.64093(2) 0.01721(7) Uani 1 1 d . . . . .
Ag11 Ag 0.86148(2) 0.16459(2) 0.69365(2) 0.01747(7) Uani 1 1 d . . . . .
Ag2 Ag 0.70583(2) 0.35905(2) 0.65858(2) 0.01774(7) Uani 1 1 d . . . . .
Ag10 Ag 0.73655(2) 0.14075(2) 0.74542(2) 0.01776(7) Uani 1 1 d . . . . .
Ag13 Ag 0.80713(2) 0.14504(2) 0.81996(2) 0.01772(7) Uani 1 1 d . . . . .
Ag4 Ag 0.63553(2) 0.26162(2) 0.72801(2) 0.01758(7) Uani 1 1 d . . . . .
Ag12 Ag 0.87086(2) 0.24625(2) 0.76083(2) 0.01733(7) Uani 1 1 d . . . . .
Ag7 Ag 0.77714(2) 0.36244(2) 0.74054(2) 0.01822(7) Uani 1 1 d . . . . .
Ag8 Ag 0.75242(2) 0.26975(2) 0.85016(2) 0.01820(8) Uani 1 1 d . . . . .
Ag9 Ag 0.66423(2) 0.20592(2) 0.84208(2) 0.01871(8) Uani 1 1 d . . . . .
Ag22 Ag 0.93707(2) 0.30039(2) 0.81941(2) 0.02123(8) Uani 1 1 d . . . . .
Ag18 Ag 0.72524(2) 0.44299(2) 0.52302(2) 0.02227(8) Uani 1 1 d . U . . .
Ag24 Ag 0.86432(2) 0.00227(2) 0.84551(2) 0.02272(8) Uani 1 1 d . U . . .
Ag23 Ag 0.81303(2) 0.32100(2) 0.91855(2) 0.02114(8) Uani 1 1 d . . . . .
Ag3 Ag 0.64584(2) 0.33702(2) 0.79227(2) 0.01828(8) Uani 1 1 d . . . . .
Ag21 Ag 0.83324(2) 0.42867(2) 0.80257(2) 0.02196(8) Uani 1 1 d . . . . .
Ag14 Ag 0.64854(2) 0.16275(2) 0.64282(2) 0.02341(8) Uani 1 1 d . U . . .
Ag19 Ag 0.77076(2) 0.30909(2) 0.50110(2) 0.02239(8) Uani 1 1 d . . . . .
Ag26 Ag 0.79751(2) -0.00064(2) 0.75489(2) 0.02223(8) Uani 1 1 d . . . . .
Ag28 Ag 0.48796(2) 0.28237(2) 0.78566(2) 0.02253(8) Uani 1 1 d . . . . .
Ag20 Ag 0.87075(2) 0.37245(2) 0.50783(2) 0.02230(8) Uani 1 1 d . . . . .
Ag29 Ag 0.49617(2) 0.36708(2) 0.85084(2) 0.02283(8) Uani 1 1 d . U . . .
Ag27 Ag 0.51703(2) 0.22804(2) 0.91151(2) 0.02450(8) Uani 1 1 d . . . . .
Ag25 Ag 0.93795(2) 0.02431(2) 0.70960(2) 0.02438(8) Uani 1 1 d . U . . .
Ag17 Ag 0.71577(2) 0.14615(2) 0.97365(2) 0.02540(8) Uani 1 1 d . U . . .
Ag15 Ag 1.01173(2) 0.21436(2) 0.64271(2) 0.02495(8) Uani 1 1 d . U . . .
Ag16 Ag 0.64421(2) 0.49934(2) 0.71862(2) 0.02908(9) Uani 1 1 d . U . . .
S11 S 0.64960(6) 0.46917(6) 0.62352(5) 0.0170(2) Uani 1 1 d . U . . .
S5 S 0.97327(5) 0.12473(6) 0.63577(5) 0.0173(2) Uani 1 1 d . U . . .
S9 S 0.82016(6) 0.07581(6) 0.91854(5) 0.0170(2) Uani 1 1 d . U . . .
S12 S 0.57539(6) 0.43739(6) 0.81327(5) 0.0178(2) Uani 1 1 d . U . . .
S3 S 0.74377(6) 0.20224(6) 0.55671(5) 0.0169(2) Uani 1 1 d . . . . .
S4 S 0.94925(5) 0.31924(6) 0.57799(5) 0.0175(2) Uani 1 1 d . . . . .
S1 S 0.55518(5) 0.25076(6) 0.68705(5) 0.0171(2) Uani 1 1 d . . . . .
S7 S 0.73128(6) 0.25582(6) 0.95882(5) 0.0183(2) Uani 1 1 d . U . . .
S2 S 0.68820(6) 0.06995(6) 0.72932(5) 0.0176(2) Uani 1 1 d . . . . .
S14 S 0.92266(6) 0.25406(6) 0.92847(5) 0.0189(2) Uani 1 1 d . . . . .
S24 S 0.78577(6) -0.05775(6) 0.86233(5) 0.0204(2) Uani 1 1 d . . . . .
S20 S 0.67563(6) 0.39719(6) 0.47850(5) 0.0191(2) Uani 1 1 d . . . . .
S16 S 0.43087(6) 0.39434(6) 0.77665(5) 0.0199(2) Uani 1 1 d . . . . .
S10 S 0.76203(6) 0.47367(6) 0.72889(5) 0.0187(2) Uani 1 1 d . U . . .
S19 S 0.88470(6) 0.30238(6) 0.44452(5) 0.0199(2) Uani 1 1 d . . . . .
S13 S 0.76910(6) 0.43416(6) 0.90633(5) 0.0197(2) Uani 1 1 d . . . . .
S6 S 0.98731(6) 0.22328(6) 0.75355(5) 0.0173(2) Uani 1 1 d . . . . .
S15 S 0.95121(6) 0.40621(6) 0.76150(5) 0.0191(2) Uani 1 1 d . . . . .
S22 S 0.88872(6) -0.02345(6) 0.66672(5) 0.0202(2) Uani 1 1 d . . . . .
S8 S 0.61622(6) 0.14782(6) 0.94340(5) 0.0193(2) Uani 1 1 d . . . . .
S21 S 0.82112(6) 0.48588(6) 0.48644(5) 0.0193(2) Uani 1 1 d . . . . .
S23 S 0.98251(6) -0.02134(6) 0.79910(5) 0.0212(2) Uani 1 1 d . . . . .
S18 S 0.46022(6) 0.19011(6) 0.86714(5) 0.0219(2) Uani 1 1 d . . . . .
S17 S 0.47269(6) 0.31625(6) 0.95991(5) 0.0219(2) Uani 1 1 d . . . . .
P4 P 0.59937(7) 0.12716(7) 0.58487(6) 0.0223(3) Uani 1 1 d . U . . .
P2 P 1.13336(7) 0.19539(6) 0.61188(6) 0.0223(2) Uani 1 1 d . U . . .
P1 P 0.60391(7) 0.61402(7) 0.70872(6) 0.0267(2) Uani 1 1 d . U . . .
P3 P 0.69266(7) 0.10469(7) 1.08560(6) 0.0246(3) Uani 1 1 d . U . . .
Na1 Na 0.07980(10) 0.59037(10) 0.80148(9) 0.0281(5) Uani 1 1 d . . . . .
Na3 Na 0.21740(12) 0.32337(12) 0.95397(11) 0.0366(5) Uani 1 1 d . . . . .
O01P O 0.1804(2) 0.5015(2) 0.78150(16) 0.0318(9) Uani 1 1 d . . . . .
O01Q O 0.7714(2) -0.1697(2) 0.7163(2) 0.0453(11) Uani 1 1 d . . . . .
O01R O 0.04327(18) 0.50546(19) 0.87862(18) 0.0316(9) Uani 1 1 d . . . . .
O01S O 0.1482(2) 0.3664(2) 0.88387(19) 0.0371(10) Uani 1 1 d . . . . .
O01T O 0.2642(2) 0.4127(2) 0.88922(19) 0.0378(10) Uani 1 1 d . . . . .
C01U C 0.6062(2) 0.3317(2) 0.5836(2) 0.0167(9) Uani 1 1 d . . . . .
H01U H 0.647333 0.305305 0.589551 0.020 Uiso 1 1 calc R . . . .
C01V C 0.5500(2) 0.3184(2) 0.6257(2) 0.0181(9) Uani 1 1 d . . . . .
C01W C 0.9185(2) 0.1758(2) 0.94598(19) 0.0168(9) Uani 1 1 d . . . . .
C01X C 1.0077(2) 0.1438(2) 0.7944(2) 0.0170(9) Uani 1 1 d . . . . .
C01Y C 0.5365(2) 0.4341(2) 0.69107(19) 0.0161(9) Uani 1 1 d . . . . .
H01Y H 0.563876 0.397881 0.711005 0.019 Uiso 1 1 calc R . . . .
C01Z C 0.8022(2) 0.4818(2) 0.6066(2) 0.0170(9) Uani 1 1 d . . . . .
H01Z H 0.794315 0.441961 0.616331 0.020 Uiso 1 1 calc R . . . .
C020 C 0.5252(2) 0.5284(2) 0.6113(2) 0.0224(10) Uani 1 1 d . . . . .
H020 H 0.544141 0.556645 0.577071 0.027 Uiso 1 1 calc R . . . .
C021 C 0.6041(2) 0.3820(2) 0.5334(2) 0.0184(9) Uani 1 1 d . . . . .
C022 C 0.8816(2) 0.1577(2) 0.92182(19) 0.0168(9) Uani 1 1 d . . . . .
H022 H 0.859903 0.187743 0.892500 0.020 Uiso 1 1 calc R . . . .
C023 C 0.4690(2) 0.4441(2) 0.7114(2) 0.0174(9) Uani 1 1 d . . . . .
C024 C 0.7959(2) 0.5083(2) 0.6524(2) 0.0172(9) Uani 1 1 d . . . . .
C025 C 0.9525(2) 0.1301(3) 0.9868(2) 0.0226(10) Uani 1 1 d . . . . .
H025 H 0.979090 0.140778 1.002845 0.027 Uiso 1 1 calc R . . . .
C026 C 0.6864(2) 0.4515(2) 0.9071(2) 0.0175(9) Uani 1 1 d . . . . .
C027 C 0.5747(2) 0.1207(2) 0.8055(2) 0.0178(9) Uani 1 1 d . . . . .
H027 H 0.589621 0.157530 0.791249 0.021 Uiso 1 1 calc R . . . .
C028 C 0.5643(2) 0.4763(2) 0.64225(19) 0.0156(9) Uani 1 1 d . . . . .
C029 C 0.6658(2) 0.4334(2) 0.86918(19) 0.0173(9) Uani 1 1 d . . . . .
H029 H 0.696878 0.408706 0.843039 0.021 Uiso 1 1 calc R . . . .
C02A C 0.8235(2) 0.0901(2) 0.6034(2) 0.0175(9) Uani 1 1 d . . . . .
H02A H 0.796559 0.096115 0.641496 0.021 Uiso 1 1 calc R . . . .
C02B C 0.6006(2) 0.2958(2) 0.9610(2) 0.0177(9) Uani 1 1 d . . . . .
H02B H 0.612593 0.277510 0.928153 0.021 Uiso 1 1 calc R . . . .
C02C C 0.7100(2) -0.0212(2) 0.9059(2) 0.0206(10) Uani 1 1 d . . . . .
C02D C 0.6918(2) 0.0421(2) 0.9034(2) 0.0189(10) Uani 1 1 d . . . . .
H02D H 0.719777 0.067463 0.876439 0.023 Uiso 1 1 calc R . . . .
C02E C 0.9865(2) 0.0997(2) 0.7853(2) 0.0189(10) Uani 1 1 d . . . . .
H02E H 0.956535 0.113177 0.760899 0.023 Uiso 1 1 calc R . . . .
C02F C 0.6150(2) 0.0669(2) 0.78680(19) 0.0181(9) Uani 1 1 d . . . . .
C02G C 0.5431(2) 0.4203(3) 0.5251(2) 0.0246(11) Uani 1 1 d . . . . .
H02G H 0.540108 0.454952 0.490959 0.030 Uiso 1 1 calc R . . . .
C02H C 0.8761(2) 0.0968(2) 0.9400(2) 0.0178(9) Uani 1 1 d . . . . .
O02I O 0.0186(2) 0.5813(2) 0.74514(19) 0.0462(12) Uani 1 1 d . . . . .
C02J C 0.4300(3) 0.4977(3) 0.6801(2) 0.0239(11) Uani 1 1 d . . . . .
H02J H 0.383906 0.505660 0.692979 0.029 Uiso 1 1 calc R . . . .
C02K C 0.6489(2) 0.2973(2) 0.9838(2) 0.0180(9) Uani 1 1 d . . . . .
C02L C 0.8203(2) 0.5143(2) 0.5460(2) 0.0171(9) Uani 1 1 d . . . . .
C02M C 0.9481(2) 0.3733(2) 0.6633(2) 0.0174(9) Uani 1 1 d . . . . .
H02M H 0.923633 0.345225 0.691482 0.021 Uiso 1 1 calc R . . . .
C02N C 0.9099(3) 0.0519(3) 0.9810(2) 0.0244(11) Uani 1 1 d . . . . .
H02N H 0.907123 0.009886 0.993106 0.029 Uiso 1 1 calc R . . . .
C02O C 0.4898(2) 0.3570(3) 0.6169(2) 0.0235(11) Uani 1 1 d . . . . .
H02O H 0.450843 0.348802 0.644962 0.028 Uiso 1 1 calc R . . . .
O02P O 0.1373(2) 0.5708(2) 0.8826(2) 0.0399(10) Uani 1 1 d . . . . .
C02Q C 0.5935(3) 0.0129(3) 0.8088(2) 0.0270(11) Uani 1 1 d . . . . .
H02Q H 0.620920 -0.024503 0.797730 0.032 Uiso 1 1 calc R . . . .
C02R C 1.0501(2) 0.1240(3) 0.8317(2) 0.0233(11) Uani 1 1 d . . . . .
H02R H 1.064110 0.153705 0.839276 0.028 Uiso 1 1 calc R . . . .
O02S O 0.1491(3) 0.2577(3) 1.0164(2) 0.0607(15) Uani 1 1 d . . . . .
C02T C 0.8348(3) 0.5708(3) 0.5318(2) 0.0245(11) Uani 1 1 d . . . . .
H02T H 0.848004 0.592391 0.490898 0.029 Uiso 1 1 calc R . . . .
C02U C 0.4579(3) 0.5386(3) 0.6309(2) 0.0280(12) Uani 1 1 d . . . . .
H02U H 0.430941 0.574399 0.610060 0.034 Uiso 1 1 calc R . . . .
C02V C 0.6003(2) 0.4508(2) 0.8690(2) 0.0170(9) Uani 1 1 d . . . . .
C02W C 0.9645(2) 0.3756(2) 0.6023(2) 0.0164(9) Uani 1 1 d . . . . .
C02X C 0.9308(2) 0.2050(2) 0.5353(2) 0.0174(9) Uani 1 1 d . . . . .
H02X H 0.896962 0.226230 0.562867 0.021 Uiso 1 1 calc R . . . .
C02Y C 1.0081(2) 0.0359(2) 0.8111(2) 0.0194(10) Uani 1 1 d . . . . .
N02Z N 0.3225(2) 0.4775(2) 0.88303(19) 0.0269(10) Uani 1 1 d . . . . .
N030 N -0.0338(2) 0.6070(2) 0.6724(2) 0.0307(10) Uani 1 1 d . . . . .
C031 C 0.9475(3) 0.0693(3) 1.0038(2) 0.0279(12) Uani 1 1 d . . . . .
H031 H 0.970464 0.038668 1.031857 0.033 Uiso 1 1 calc R . . . .
C032 C 0.9669(2) 0.4114(2) 0.6839(2) 0.0163(9) Uani 1 1 d . . . . .
C033 C 0.8118(2) 0.1360(2) 0.5516(2) 0.0164(9) Uani 1 1 d . . . . .
C034 C 0.6393(3) 0.4863(3) 0.9467(2) 0.0241(11) Uani 1 1 d . . . . .
H034 H 0.652290 0.499082 0.972990 0.029 Uiso 1 1 calc R . . . .
N035 N -0.0206(2) 0.4385(2) 0.9233(2) 0.0278(10) Uani 1 1 d . . . . .
N036 N 0.2296(2) 0.6820(2) 0.6651(2) 0.0336(11) Uani 1 1 d . . . . .
C037 C 0.5349(2) 0.3207(2) 0.9857(2) 0.0195(10) Uani 1 1 d . . . . .
C038 C 0.4871(3) 0.4076(3) 0.5668(2) 0.0272(11) Uani 1 1 d . . . . .
H038 H 0.445915 0.434062 0.561079 0.033 Uiso 1 1 calc R . . . .
C039 C 0.8098(3) 0.5652(2) 0.6382(2) 0.0244(11) Uani 1 1 d . . . . .
H039 H 0.805615 0.583147 0.669310 0.029 Uiso 1 1 calc R . . . .
C03A C 0.5130(2) 0.1216(2) 0.8446(2) 0.0200(10) Uani 1 1 d . . . . .
N03B N 0.2391(2) 0.4873(2) 0.6884(2) 0.0324(11) Uani 1 1 d . . . . .
N03C N 0.1573(3) 0.4164(3) 1.0780(2) 0.0362(12) Uani 1 1 d . . . . .
C03D C 0.9364(2) 0.2302(2) 0.4736(2) 0.0184(9) Uani 1 1 d . . . . .
N03E N 0.1216(2) 0.3323(2) 0.8206(2) 0.0336(11) Uani 1 1 d . . . . .
O03F O -0.0085(2) 0.6701(2) 0.8367(2) 0.0530(13) Uani 1 1 d . . . . .
C03G C 0.6334(2) 0.0692(3) 0.9395(2) 0.0203(10) Uani 1 1 d . . . . .
O03H O 0.2840(3) 0.2896(3) 1.0182(3) 0.0631(15) Uani 1 1 d . . . . .
C03I C 0.5542(2) 0.4851(3) 0.9086(2) 0.0244(11) Uani 1 1 d . . . . .
H03I H 0.509432 0.497004 0.908988 0.029 Uiso 1 1 calc R . . . .
C03J C 0.8738(2) 0.0353(2) 0.6010(2) 0.0188(9) Uani 1 1 d . . . . .
O03K O 0.2725(3) 0.2477(3) 0.9014(3) 0.0666(16) Uani 1 1 d . . . . .
C03L C 0.6599(3) 0.6359(3) 0.5865(2) 0.0317(12) Uani 1 1 d . . . . .
H03L H 0.686390 0.594488 0.596762 0.038 Uiso 1 1 calc R . . . .
C03M C 0.9735(2) 0.1495(2) 0.5576(2) 0.0186(9) Uani 1 1 d . . . . .
C03N C 0.5168(3) 0.6414(3) 0.7419(2) 0.0265(11) Uani 1 1 d . . . . .
C03O C 1.0520(3) 0.0169(3) 0.8464(2) 0.0276(12) Uani 1 1 d . . . . .
H03O H 1.068826 -0.026320 0.863177 0.033 Uiso 1 1 calc R . . . .
C03P C 0.8517(2) 0.1279(3) 0.4956(2) 0.0230(10) Uani 1 1 d . . . . .
H03P H 0.845009 0.159272 0.459814 0.028 Uiso 1 1 calc R . . . .
C03Q C 0.9134(2) 0.0274(2) 0.5444(2) 0.0231(10) Uani 1 1 d . . . . .
H03Q H 0.948114 -0.009220 0.541363 0.028 Uiso 1 1 calc R . . . .
C03R C 0.6317(3) 0.3260(3) 1.0304(2) 0.0269(11) Uani 1 1 d . . . . .
H03R H 0.664155 0.328022 1.045826 0.032 Uiso 1 1 calc R . . . .
C03S C 1.0713(3) 0.0616(3) 0.8572(2) 0.0299(12) Uani 1 1 d . . . . .
H03S H 1.099831 0.048419 0.882880 0.036 Uiso 1 1 calc R . . . .
C03T C 0.9855(3) 0.1973(3) 0.4339(2) 0.0253(11) Uani 1 1 d . . . . .
H03T H 0.990633 0.213595 0.391679 0.030 Uiso 1 1 calc R . . . .
C03U C 0.6498(3) 0.0555(3) 0.5622(2) 0.0248(11) Uani 1 1 d . . . . .
C03V C 0.9984(2) 0.4178(2) 0.5605(2) 0.0233(11) Uani 1 1 d . . . . .
H03V H 1.008935 0.420165 0.518711 0.028 Uiso 1 1 calc R . . . .
C03W C 0.9017(3) 0.0733(3) 0.4927(2) 0.0263(11) Uani 1 1 d . . . . .
H03W H 0.928456 0.067261 0.454487 0.032 Uiso 1 1 calc R . . . .
C03X C 0.6681(3) -0.0577(3) 0.9451(2) 0.0305(12) Uani 1 1 d . . . . .
H03X H 0.680189 -0.101419 0.948588 0.037 Uiso 1 1 calc R . . . .
O03Y O 0.1377(3) 0.6536(3) 0.7247(2) 0.0549(13) Uani 1 1 d . . . . .
C03Z C 0.4915(3) 0.0677(3) 0.8642(2) 0.0273(11) Uani 1 1 d . . . . .
H03Z H 0.449041 0.067816 0.889489 0.033 Uiso 1 1 calc R . . . .
N040 N 0.1068(3) 0.1824(3) 1.0185(3) 0.0493(15) Uani 1 1 d . . . . .
C041 C 1.0167(3) 0.4563(3) 0.5802(2) 0.0262(11) Uani 1 1 d . . . . .
H041 H 1.039833 0.485191 0.551541 0.031 Uiso 1 1 calc R . . . .
C042 C 0.5320(3) 0.0136(3) 0.8470(3) 0.0325(13) Uani 1 1 d . . . . .
H042 H 0.517321 -0.023319 0.861673 0.039 Uiso 1 1 calc R . . . .
C043 C 0.6409(3) 0.6427(3) 0.7468(2) 0.0268(11) Uani 1 1 d . . . . .
N044 N 1.1620(3) -0.0798(3) 0.6401(3) 0.0427(13) Uani 1 1 d . . . . .
O045 O 0.1408(2) 0.4184(2) 0.99130(18) 0.0435(11) Uani 1 1 d . . . . .
C046 C 0.6139(3) 0.6621(3) 0.6315(2) 0.0292(12) Uani 1 1 d . . . . .
C047 C 0.8300(3) 0.5959(3) 0.5781(2) 0.0293(12) Uani 1 1 d . . . . .
H047 H 0.840692 0.634375 0.568394 0.035 Uiso 1 1 calc R . . . .
C048 C 1.1326(3) 0.2014(3) 0.4968(2) 0.0324(13) Uani 1 1 d . . . . .
H048 H 1.092323 0.190654 0.516177 0.039 Uiso 1 1 calc R . . . .
C049 C 1.0212(2) 0.1169(2) 0.5174(2) 0.0231(10) Uani 1 1 d . . . . .
H049 H 1.049926 0.078166 0.531834 0.028 Uiso 1 1 calc R . . . .
C04A C 0.5185(3) 0.3481(3) 1.0334(2) 0.0272(11) Uani 1 1 d . . . . .
H04A H 0.474037 0.364428 1.051420 0.033 Uiso 1 1 calc R . . . .
C04B C 1.0019(2) 0.4536(2) 0.6414(2) 0.0232(10) Uani 1 1 d . . . . .
H04B H 1.015358 0.480063 0.654143 0.028 Uiso 1 1 calc R . . . .
C04C C 0.7186(3) 0.0199(3) 1.1097(2) 0.0283(12) Uani 1 1 d . . . . .
C04D C 1.0265(3) 0.1413(3) 0.4560(2) 0.0297(12) Uani 1 1 d . . . . .
H04D H 1.059039 0.118946 0.428608 0.036 Uiso 1 1 calc R . . . .
C04E C 0.5744(3) 0.5019(3) 0.9478(2) 0.0299(12) Uani 1 1 d . . . . .
H04E H 0.542949 0.524508 0.975512 0.036 Uiso 1 1 calc R . . . .
C04F C 1.1684(2) 0.2429(3) 0.6314(2) 0.0239(11) Uani 1 1 d . . . . .
C04G C 1.1377(3) 0.3062(3) 0.6242(2) 0.0301(12) Uani 1 1 d . . . . .
H04G H 1.096399 0.321948 0.615089 0.036 Uiso 1 1 calc R . . . .
N04H N 0.1629(3) 0.6484(3) 0.8986(3) 0.0450(14) Uani 1 1 d . . . . .
C04I C 0.5866(3) 0.1841(3) 0.5142(2) 0.0279(12) Uani 1 1 d . . . . .
C04J C 0.7931(3) 0.1396(3) 1.0937(3) 0.0340(13) Uani 1 1 d . . . . .
H04J H 0.812125 0.134763 1.053776 0.041 Uiso 1 1 calc R . . . .
N04K N 0.3267(3) 0.2441(3) 0.8048(3) 0.0480(15) Uani 1 1 d . . . . .
C04L C 0.7316(3) 0.1305(3) 1.1238(2) 0.0249(11) Uani 1 1 d . . . . .
C04M C 0.5660(3) 0.3516(3) 1.0542(2) 0.0320(13) Uani 1 1 d . . . . .
H04M H 0.553959 0.371936 1.085588 0.038 Uiso 1 1 calc R . . . .
C04N C 0.6680(3) 0.6693(3) 0.5265(3) 0.0431(16) Uani 1 1 d . . . . .
H04N H 0.700015 0.650920 0.496007 0.052 Uiso 1 1 calc R . . . .
C04O C 0.5907(3) 0.0334(3) 0.9770(2) 0.0321(13) Uani 1 1 d . . . . .
H04O H 0.550145 0.051733 1.000877 0.039 Uiso 1 1 calc R . . . .
C04P C 1.1575(3) 0.2075(3) 0.4356(3) 0.0415(15) Uani 1 1 d . . . . .
H04P H 1.135056 0.199571 0.413402 0.050 Uiso 1 1 calc R . . . .
O04Q O 1.1555(3) -0.1736(3) 0.7062(3) 0.0705(17) Uani 1 1 d . . . . .
C04R C 0.6086(3) -0.0300(3) 0.9790(3) 0.0355(14) Uani 1 1 d . . . . .
H04R H 0.579455 -0.054864 1.004060 0.043 Uiso 1 1 calc R . . . .
C04S C 0.6067(3) 0.1234(3) 1.1265(2) 0.0259(11) Uani 1 1 d . . . . .
C04T C 1.1809(3) 0.1158(3) 0.6391(2) 0.0240(11) Uani 1 1 d . . . . .
N04U N -0.0335(3) 0.7762(3) 0.8043(3) 0.0432(13) Uani 1 1 d . . . . .
C04V C 0.7441(3) -0.0130(3) 1.1596(3) 0.0408(15) Uani 1 1 d . . . . .
H04V H 0.749071 0.009253 1.183133 0.049 Uiso 1 1 calc R . . . .
C04W C 1.1662(3) 0.2109(3) 0.5302(2) 0.0241(11) Uani 1 1 d . . . . .
C04X C 0.2299(3) 0.4779(3) 0.7475(2) 0.0277(11) Uani 1 1 d . . . . .
H04X H 0.264800 0.450455 0.764810 0.033 Uiso 1 1 calc R . . . .
C04Y C 0.4767(3) 0.6101(3) 0.7382(3) 0.0374(14) Uani 1 1 d . . . . .
H04Y H 0.494762 0.574578 0.721980 0.045 Uiso 1 1 calc R . . . .
C04Z C 0.7148(3) 0.0373(3) 0.5626(3) 0.0312(12) Uani 1 1 d . . . . .
H04Z H 0.731355 0.061345 0.575539 0.037 Uiso 1 1 calc R . . . .
C050 C 0.5200(3) 0.1107(3) 0.6224(2) 0.0266(11) Uani 1 1 d . . . . .
C051 C 1.2233(3) 0.2292(3) 0.5001(2) 0.0312(12) Uani 1 1 d . . . . .
H051 H 1.246174 0.236901 0.522121 0.037 Uiso 1 1 calc R . . . .
C052 C 0.5058(3) 0.2027(3) 1.1425(3) 0.0394(15) Uani 1 1 d . . . . .
H052 H 0.481611 0.245116 1.132790 0.047 Uiso 1 1 calc R . . . .
C053 C 0.5698(3) 0.1846(3) 1.1110(3) 0.0342(13) Uani 1 1 d . . . . .
H053 H 0.588756 0.214269 1.078531 0.041 Uiso 1 1 calc R . . . .
C054 C 1.1537(3) 0.0788(3) 0.6926(2) 0.0320(13) Uani 1 1 d . . . . .
H054 H 1.110093 0.094079 0.713606 0.038 Uiso 1 1 calc R . . . .
C055 C 0.3016(3) 0.5242(3) 0.8322(2) 0.0317(12) Uani 1 1 d . . . . .
H05C H 0.337618 0.522752 0.795992 0.048 Uiso 1 1 calc GR . . . .
H05E H 0.288219 0.565733 0.839904 0.048 Uiso 1 1 calc GR . . . .
H05H H 0.264762 0.516080 0.826303 0.048 Uiso 1 1 calc GR . . . .
C056 C 0.6263(3) 0.0192(3) 0.5437(3) 0.0351(13) Uani 1 1 d . . . . .
H056 H 0.581668 0.030933 0.543552 0.042 Uiso 1 1 calc R . . . .
C057 C 0.5055(3) 0.0864(3) 0.6843(3) 0.0339(13) Uani 1 1 d . . . . .
H057 H 0.536129 0.080480 0.705986 0.041 Uiso 1 1 calc R . . . .
C058 C 0.6603(3) 0.6978(3) 0.7235(3) 0.0361(14) Uani 1 1 d . . . . .
H058 H 0.655630 0.722800 0.684547 0.043 Uiso 1 1 calc R . . . .
C059 C 0.3050(3) 0.4239(3) 0.9041(2) 0.0307(12) Uani 1 1 d . . . . .
H059 H 0.325713 0.391853 0.933023 0.037 Uiso 1 1 calc R . . . .
C05A C 0.6468(4) 0.6070(3) 0.8033(3) 0.0516(19) Uani 1 1 d . . . . .
H05A H 0.633744 0.569081 0.819606 0.062 Uiso 1 1 calc R . . . .
C05B C 0.4903(3) 0.6911(3) 0.7690(3) 0.0384(14) Uani 1 1 d . . . . .
H05B H 0.517841 0.711793 0.772395 0.046 Uiso 1 1 calc R . . . .
C05C C -0.0858(3) 0.5785(3) 0.7106(3) 0.0374(14) Uani 1 1 d . . . . .
H05J H -0.125686 0.611171 0.720236 0.056 Uiso 1 1 calc GR . . . .
H05K H -0.073844 0.551305 0.747978 0.056 Uiso 1 1 calc GR . . . .
H05N H -0.093204 0.553544 0.689627 0.056 Uiso 1 1 calc GR . . . .
C05D C 0.4773(3) 0.1595(3) 1.1876(3) 0.0355(13) Uani 1 1 d . . . . .
H05D H 0.432862 0.171769 1.208325 0.043 Uiso 1 1 calc R . . . .
C05E C 0.1658(3) 0.6894(3) 0.6839(3) 0.0340(13) Uani 1 1 d . . . . .
H05O H 0.139399 0.726236 0.663543 0.041 Uiso 1 1 calc R . . . .
C05F C 0.8265(3) 0.1557(3) 1.1223(3) 0.0441(16) Uani 1 1 d . . . . .
H05F H 0.869091 0.160776 1.101991 0.053 Uiso 1 1 calc R . . . .
C05G C 1.2146(3) 0.2250(3) 0.4064(3) 0.0389(15) Uani 1 1 d . . . . .
H05G H 1.231292 0.229147 0.364199 0.047 Uiso 1 1 calc R . . . .
C05H C 0.3000(3) 0.4593(3) 0.6513(3) 0.0442(16) Uani 1 1 d . . . . .
H05P H 0.319001 0.492280 0.621000 0.066 Uiso 1 1 calc GR . . . .
H05R H 0.292173 0.433908 0.631026 0.066 Uiso 1 1 calc GR . . . .
H05S H 0.330094 0.432677 0.676563 0.066 Uiso 1 1 calc GR . . . .
C05I C 0.5755(3) 0.7230(3) 0.6155(3) 0.0387(14) Uani 1 1 d . . . . .
H05I H 0.543329 0.741726 0.645718 0.046 Uiso 1 1 calc R . . . .
N05J N 0.3471(4) 0.2030(3) 1.0672(3) 0.067(2) Uani 1 1 d . . . . .
C05K C 0.2581(3) 0.7284(3) 0.6175(3) 0.0429(15) Uani 1 1 d . . . . .
H05T H 0.223560 0.763002 0.602217 0.064 Uiso 1 1 calc GR . . . .
H05V H 0.287848 0.709506 0.584670 0.064 Uiso 1 1 calc GR . . . .
H05X H 0.282224 0.744302 0.633180 0.064 Uiso 1 1 calc GR . . . .
C05L C 0.5545(4) 0.2453(3) 0.5178(3) 0.0467(18) Uani 1 1 d . . . . .
H05L H 0.540229 0.255291 0.555622 0.056 Uiso 1 1 calc R . . . .
C05M C 0.7032(3) 0.1406(3) 1.1815(3) 0.0361(14) Uani 1 1 d . . . . .
H05M H 0.660555 0.136040 1.202084 0.043 Uiso 1 1 calc R . . . .
C05N C 0.7414(4) -0.1047(3) 0.7063(3) 0.0488(17) Uani 1 1 d . . . . .
H1BA H 0.760101 -0.074037 0.705948 0.059 Uiso 1 1 calc R . . . .
C05O C 0.1365(3) 0.3256(3) 0.8707(3) 0.0363(13) Uani 1 1 d . . . . .
H05 H 0.138534 0.286135 0.899114 0.044 Uiso 1 1 calc R . . . .
C05P C 0.1158(4) 0.1184(4) 1.0183(4) 0.057(2) Uani 1 1 d . . . . .
H0AA H 0.104621 0.118118 0.982785 0.086 Uiso 1 1 calc GR . . . .
H H 0.087534 0.098595 1.054880 0.086 Uiso 1 1 calc GR . . . .
HA H 0.161357 0.095096 1.016991 0.086 Uiso 1 1 calc GR . . . .
C05Q C 0.5641(4) 0.2782(4) 0.4116(3) 0.0500(19) Uani 1 1 d . . . . .
H05Q H 0.556367 0.310078 0.376365 0.060 Uiso 1 1 calc R . . . .
C05R C 0.3741(3) 0.4859(3) 0.9005(3) 0.0419(15) Uani 1 1 d . . . . .
H1AA H 0.412999 0.485399 0.866839 0.063 Uiso 1 1 calc GR . . . .
HB H 0.384447 0.451812 0.935385 0.063 Uiso 1 1 calc GR . . . .
HC H 0.359469 0.525999 0.911148 0.063 Uiso 1 1 calc GR . . . .
C05S C 0.0061(3) 0.4786(3) 0.8773(2) 0.0287(12) Uani 1 1 d . . . . .
H2AA H -0.004354 0.487433 0.840011 0.034 Uiso 1 1 calc R . . . .
C05T C 0.3334(4) 0.2481(3) 1.0205(3) 0.0470(17) Uani 1 1 d . . . . .
H3AA H 0.366404 0.248297 0.983931 0.056 Uiso 1 1 calc R . . . .
C05U C 0.6079(3) 0.1704(3) 0.4588(3) 0.0379(14) Uani 1 1 d . . . . .
H05U H 0.630334 0.128923 0.455378 0.045 Uiso 1 1 calc R . . . .
C05V C 0.1551(4) 0.2038(4) 1.0152(3) 0.0504(18) Uani 1 1 d . . . . .
H4AA H 0.197467 0.175861 1.011657 0.060 Uiso 1 1 calc R . . . .
C05W C 0.5961(3) 0.2186(4) 0.4077(3) 0.0493(18) Uani 1 1 d . . . . .
H05W H 0.610937 0.209298 0.369503 0.059 Uiso 1 1 calc R . . . .
C05X C 0.1606(3) 0.5905(4) 0.9085(3) 0.0430(16) Uani 1 1 d . . . . .
H5AA H 0.179390 0.560500 0.939744 0.052 Uiso 1 1 calc R . . . .
C05Y C 0.6915(4) 0.6810(4) 0.8131(4) 0.054(2) Uani 1 1 d . . . . .
H05Y H 0.708443 0.694280 0.836175 0.065 Uiso 1 1 calc R . . . .
C05Z C 0.5774(3) 0.0800(3) 1.1723(3) 0.0422(15) Uani 1 1 d . . . . .
H05Z H 0.601461 0.037576 1.182896 0.051 Uiso 1 1 calc R . . . .
C060 C -0.0371(4) 0.6375(4) 0.6105(3) 0.0485(18) Uani 1 1 d . . . . .
H06C H -0.032736 0.606224 0.590089 0.073 Uiso 1 1 calc GR . . . .
H06E H -0.001640 0.658065 0.589746 0.073 Uiso 1 1 calc GR . . . .
H06Q H -0.078991 0.668713 0.609710 0.073 Uiso 1 1 calc GR . . . .
C061 C 0.7374(4) 0.1574(3) 1.2087(3) 0.0414(15) Uani 1 1 d . . . . .
H061 H 0.717938 0.164147 1.247950 0.050 Uiso 1 1 calc R . . . .
C062 C 0.1116(4) 0.2811(4) 0.8071(4) 0.0516(18) Uani 1 1 d . . . . .
H06T H 0.148049 0.267384 0.774512 0.077 Uiso 1 1 calc GR . . . .
H06Y H 0.070895 0.295277 0.794443 0.077 Uiso 1 1 calc GR . . . .
HD H 0.109212 0.246103 0.843101 0.077 Uiso 1 1 calc GR . . . .
C063 C 0.8343(4) -0.1858(4) 0.7243(4) 0.0542(19) Uani 1 1 d . . . . .
H2BA H 0.832305 -0.175077 0.760905 0.065 Uiso 1 1 calc R . . . .
HE H 0.861442 -0.161964 0.689286 0.065 Uiso 1 1 calc R . . . .
C064 C 0.2205(3) 0.4301(4) 1.0495(3) 0.0465(17) Uani 1 1 d . . . . .
H06 H 0.255049 0.391994 1.058349 0.070 Uiso 1 1 calc GR . . . .
HF H 0.223089 0.462251 1.065088 0.070 Uiso 1 1 calc GR . . . .
HG H 0.225704 0.445318 1.005775 0.070 Uiso 1 1 calc GR . . . .
C065 C 0.7131(4) -0.0140(3) 1.0753(3) 0.0434(16) Uani 1 1 d . . . . .
H065 H 0.697489 0.007665 1.040053 0.052 Uiso 1 1 calc R . . . .
C066 C 0.6864(3) 0.7168(3) 0.7560(3) 0.0442(16) Uani 1 1 d . . . . .
H066 H 0.700680 0.754017 0.739191 0.053 Uiso 1 1 calc R . . . .
C067 C 0.0127(3) 0.6067(3) 0.6941(3) 0.0387(15) Uani 1 1 d . . . . .
H067 H 0.044276 0.628307 0.667428 0.046 Uiso 1 1 calc R . . . .
C068 C 0.7988(4) 0.1644(3) 1.1797(3) 0.0439(16) Uani 1 1 d . . . . .
H068 H 0.822237 0.175163 1.198982 0.053 Uiso 1 1 calc R . . . .
C069 C 0.7622(4) -0.0773(3) 1.1753(4) 0.0503(18) Uani 1 1 d . . . . .
H069 H 0.779423 -0.098988 1.209654 0.060 Uiso 1 1 calc R . . . .
C06A C 0.6722(5) 0.6264(4) 0.8370(4) 0.073(3) Uani 1 1 d . . . . .
H06A H 0.676020 0.601913 0.876317 0.087 Uiso 1 1 calc R . . . .
C06B C 0.6296(3) 0.7291(4) 0.5113(3) 0.0464(17) Uani 1 1 d . . . . .
H06B H 0.634345 0.751594 0.470219 0.056 Uiso 1 1 calc R . . . .
C06C C 0.1187(3) 0.3911(3) 0.7737(3) 0.0398(14) Uani 1 1 d . . . . .
H6AA H 0.115107 0.424707 0.790744 0.060 Uiso 1 1 calc GR . . . .
HH H 0.080623 0.401283 0.757901 0.060 Uiso 1 1 calc GR . . . .
HI H 0.158322 0.386623 0.740939 0.060 Uiso 1 1 calc GR . . . .
C06D C 0.4103(3) 0.6316(4) 0.7586(3) 0.0499(18) Uani 1 1 d . . . . .
H06D H 0.382396 0.611881 0.754256 0.060 Uiso 1 1 calc R . . . .
C06E C 0.3100(3) 0.2198(4) 0.8634(4) 0.0488(18) Uani 1 1 d . . . . .
H7AA H 0.328832 0.176374 0.877569 0.059 Uiso 1 1 calc R . . . .
C06F C 0.7563(3) -0.0161(3) 0.5443(3) 0.0406(15) Uani 1 1 d . . . . .
H06F H 0.800999 -0.028030 0.544230 0.049 Uiso 1 1 calc R . . . .
C06G C 1.1658(3) 0.3466(3) 0.6299(3) 0.0374(14) Uani 1 1 d . . . . .
H06G H 1.144487 0.389930 0.623921 0.045 Uiso 1 1 calc R . . . .
C06H C 0.5126(3) 0.0989(3) 1.2027(3) 0.0495(18) Uani 1 1 d . . . . .
H06H H 0.492662 0.069312 1.234337 0.059 Uiso 1 1 calc R . . . .
C06I C 1.2450(3) 0.0917(3) 0.6084(3) 0.0306(12) Uani 1 1 d . . . . .
H06I H 1.264352 0.115976 0.570897 0.037 Uiso 1 1 calc R . . . .
C06J C 1.2251(4) 0.3238(4) 0.6444(3) 0.0456(17) Uani 1 1 d . . . . .
H06J H 1.244757 0.351443 0.648495 0.055 Uiso 1 1 calc R . . . .
C06K C 0.4472(4) 0.0708(3) 0.7152(3) 0.0457(16) Uani 1 1 d . . . . .
H06K H 0.438307 0.053924 0.757612 0.055 Uiso 1 1 calc R . . . .
C06L C 0.4742(3) 0.1209(3) 0.5918(3) 0.0399(15) Uani 1 1 d . . . . .
H06L H 0.482792 0.139063 0.549571 0.048 Uiso 1 1 calc R . . . .
C06M C 1.2476(3) 0.2366(3) 0.4382(3) 0.0410(15) Uani 1 1 d . . . . .
H06M H 1.286569 0.249468 0.418049 0.049 Uiso 1 1 calc R . . . .
C06N C 1.2275(3) 0.2208(3) 0.6473(3) 0.0411(15) Uani 1 1 d . . . . .
H06N H 1.248737 0.177382 0.654261 0.049 Uiso 1 1 calc R . . . .
C06O C 0.5430(5) 0.2921(4) 0.4662(4) 0.057(2) Uani 1 1 d . . . . .
H06O H 0.520412 0.333732 0.469022 0.068 Uiso 1 1 calc R . . . .
C06P C 0.3832(3) 0.6816(4) 0.7854(3) 0.0522(19) Uani 1 1 d . . . . .
H06P H 0.337364 0.695650 0.799549 0.063 Uiso 1 1 calc R . . . .
C06Q C -0.0706(5) 0.8359(4) 0.8167(4) 0.066(2) Uani 1 1 d . . . . .
H8AA H -0.105933 0.829923 0.853138 0.100 Uiso 1 1 calc GR . . . .
HJ H -0.089045 0.862954 0.782572 0.100 Uiso 1 1 calc GR . . . .
HK H -0.042166 0.855407 0.822819 0.100 Uiso 1 1 calc GR . . . .
C06R C 1.2802(3) 0.0325(3) 0.6329(3) 0.0377(14) Uani 1 1 d . . . . .
H06R H 1.323851 0.016719 0.612373 0.045 Uiso 1 1 calc R . . . .
C06S C 0.7557(4) -0.1105(3) 1.1417(4) 0.056(2) Uani 1 1 d . . . . .
H06S H 0.768472 -0.154970 1.152516 0.067 Uiso 1 1 calc R . . . .
N06T N 0.4910(3) -0.1063(3) 0.6294(3) 0.0572(17) Uani 1 1 d . . . . .
C06U C 0.7300(5) -0.0781(4) 1.0914(4) 0.060(2) Uani 1 1 d . . . . .
H06U H 0.724236 -0.100529 1.068402 0.072 Uiso 1 1 calc R . . . .
C06V C 1.2556(4) 0.2615(4) 0.6529(3) 0.0516(19) Uani 1 1 d . . . . .
H06V H 1.296461 0.245951 0.662826 0.062 Uiso 1 1 calc R . . . .
C06W C 0.5844(4) 0.7562(4) 0.5557(3) 0.0503(18) Uani 1 1 d . . . . .
H06W H 0.559111 0.798123 0.545119 0.060 Uiso 1 1 calc R . . . .
C06X C 1.2525(3) -0.0036(3) 0.6865(3) 0.0414(15) Uani 1 1 d . . . . .
H06X H 1.276801 -0.044163 0.703045 0.050 Uiso 1 1 calc R . . . .
C06Y C 0.1882(4) 0.5281(4) 0.6585(3) 0.055(2) Uani 1 1 d . . . . .
H9AA H 0.148466 0.541225 0.688722 0.082 Uiso 1 1 calc GR . . . .
HL H 0.179567 0.505602 0.635948 0.082 Uiso 1 1 calc GR . . . .
HM H 0.202200 0.565010 0.630757 0.082 Uiso 1 1 calc GR . . . .
C06Z C 1.1892(3) 0.0195(3) 0.7162(3) 0.0436(16) Uani 1 1 d . . . . .
H06Z H 1.169781 -0.005466 0.753175 0.052 Uiso 1 1 calc R . . . .
C070 C 0.6677(4) -0.0336(3) 0.5254(3) 0.0460(17) Uani 1 1 d . . . . .
H070 H 0.651616 -0.057719 0.512211 0.055 Uiso 1 1 calc R . . . .
C071 C 0.1234(3) 0.4117(3) 1.0458(3) 0.0374(14) Uani 1 1 d . . . . .
H071 H 0.082574 0.402482 1.066434 0.045 Uiso 1 1 calc R . . . .
C072 C 0.6758(4) -0.0917(4) 0.6964(3) 0.0513(18) Uani 1 1 d . . . . .
H3BA H 0.680564 -0.102884 0.659549 0.077 Uiso 1 1 calc GR . . . .
HN H 0.653669 -0.047176 0.692439 0.077 Uiso 1 1 calc GR . . . .
HO H 0.649939 -0.116644 0.730822 0.077 Uiso 1 1 calc GR . . . .
C073 C 1.1314(4) -0.1183(4) 0.6854(4) 0.056(2) Uani 1 1 d . . . . .
H073 H 1.086946 -0.101486 0.703178 0.068 Uiso 1 1 calc R . . . .
C074 C 1.1295(4) -0.0157(4) 0.6154(4) 0.058(2) Uani 1 1 d . . . . .
H5BA H 1.083307 -0.007080 0.636569 0.086 Uiso 1 1 calc GR . . . .
HP H 1.133841 -0.009286 0.572399 0.086 Uiso 1 1 calc GR . . . .
HQ H 1.149458 0.012626 0.620358 0.086 Uiso 1 1 calc GR . . . .
C075 C 0.7326(4) -0.0514(3) 0.5263(3) 0.0447(16) Uani 1 1 d . . . . .
H075 H 0.760813 -0.088130 0.514448 0.054 Uiso 1 1 calc R . . . .
C076 C 0.0405(5) 0.2231(4) 1.0250(5) 0.078(3) Uani 1 1 d . . . . .
H07A H 0.024612 0.228399 0.990294 0.118 Uiso 1 1 calc GR . . . .
H07B H 0.040357 0.264013 1.027154 0.118 Uiso 1 1 calc GR . . . .
H07D H 0.012013 0.204182 1.062056 0.118 Uiso 1 1 calc GR . . . .
C077 C 0.4020(3) 0.0796(4) 0.6845(3) 0.0483(17) Uani 1 1 d . . . . .
H077 H 0.362093 0.068499 0.705424 0.058 Uiso 1 1 calc R . . . .
C078 C 0.4232(3) 0.7103(4) 0.7910(3) 0.0509(18) Uani 1 1 d . . . . .
H078 H 0.405098 0.743734 0.810134 0.061 Uiso 1 1 calc R . . . .
C079 C 0.1357(4) 0.4076(5) 1.1429(3) 0.070(3) Uani 1 1 d . . . . .
H07E H 0.167628 0.373148 1.162015 0.105 Uiso 1 1 calc GR . . . .
H07F H 0.093452 0.397639 1.157695 0.105 Uiso 1 1 calc GR . . . .
H07G H 0.131315 0.446088 1.152950 0.105 Uiso 1 1 calc GR . . . .
C07A C -0.0070(3) 0.4225(4) 0.9815(3) 0.0411(15) Uani 1 1 d . . . . .
H07H H 0.031598 0.435496 0.976853 0.062 Uiso 1 1 calc GR . . . .
H07I H 0.000910 0.377192 0.998592 0.062 Uiso 1 1 calc GR . . . .
H07J H -0.044413 0.444021 1.008623 0.062 Uiso 1 1 calc GR . . . .
C07B C 0.1939(5) 0.6669(4) 0.9307(3) 0.065(2) Uani 1 1 d . . . . .
H07K H 0.211018 0.630347 0.960838 0.097 Uiso 1 1 calc GR . . . .
H07L H 0.161987 0.698731 0.950942 0.097 Uiso 1 1 calc GR . . . .
H07M H 0.229752 0.684152 0.902194 0.097 Uiso 1 1 calc GR . . . .
C07C C 0.4157(3) 0.1049(4) 0.6222(4) 0.0528(19) Uani 1 1 d . . . . .
H07C H 0.384972 0.111253 0.600504 0.063 Uiso 1 1 calc R . . . .
C07D C -0.0408(3) 0.7221(4) 0.8425(3) 0.0462(16) Uani 1 1 d . . . . .
H07N H -0.074840 0.724068 0.878139 0.055 Uiso 1 1 calc R . . . .
C07E C 0.3047(4) 0.3102(4) 0.7787(4) 0.060(2) Uani 1 1 d . . . . .
H07O H 0.274333 0.330699 0.810167 0.091 Uiso 1 1 calc GR . . . .
H07P H 0.282721 0.316562 0.747719 0.091 Uiso 1 1 calc GR . . . .
H07Q H 0.342207 0.328167 0.760348 0.091 Uiso 1 1 calc GR . . . .
C07F C 0.8638(5) -0.2537(5) 0.7302(5) 0.077(3) Uani 1 1 d . . . . .
H4BA H 0.862054 -0.264792 0.695503 0.116 Uiso 1 1 calc GR . . . .
HR H 0.839532 -0.277145 0.767342 0.116 Uiso 1 1 calc GR . . . .
HS H 0.909198 -0.264033 0.731658 0.116 Uiso 1 1 calc GR . . . .
C07G C -0.0650(4) 0.4094(4) 0.9184(3) 0.058(2) Uani 1 1 d . . . . .
H07R H -0.070349 0.424009 0.877152 0.087 Uiso 1 1 calc GR . . . .
H07S H -0.107398 0.420528 0.946506 0.087 Uiso 1 1 calc GR . . . .
H07T H -0.047415 0.363808 0.928345 0.087 Uiso 1 1 calc GR . . . .
C07H C 0.4139(5) 0.1597(4) 1.0608(5) 0.084(3) Uani 1 1 d . . . . .
H07U H 0.437300 0.166637 1.018156 0.126 Uiso 1 1 calc GR . . . .
H07V H 0.410739 0.116278 1.076506 0.126 Uiso 1 1 calc GR . . . .
H07W H 0.437376 0.167612 1.083566 0.126 Uiso 1 1 calc GR . . . .
C07I C 1.2302(3) -0.1020(4) 0.6106(4) 0.057(2) Uani 1 1 d . . . . .
H6BA H 1.249777 -0.141429 0.636377 0.085 Uiso 1 1 calc GR . . . .
HT H 1.253248 -0.070732 0.603513 0.085 Uiso 1 1 calc GR . . . .
HU H 1.233465 -0.108784 0.571974 0.085 Uiso 1 1 calc GR . . . .
C07J C 0.0158(5) 0.7779(5) 0.7477(5) 0.080(3) Uani 1 1 d . . . . .
H07X H -0.003746 0.806422 0.714682 0.120 Uiso 1 1 calc GR . . . .
H07Y H 0.033783 0.735804 0.740891 0.120 Uiso 1 1 calc GR . . . .
HV H 0.050788 0.792582 0.749185 0.120 Uiso 1 1 calc GR . . . .
C07K C 0.3748(5) 0.2050(5) 0.7652(5) 0.080(3) Uani 1 1 d . . . . .
H07Z H 0.400502 0.168360 0.789028 0.119 Uiso 1 1 calc GR . . . .
HW H 0.403662 0.229328 0.734072 0.119 Uiso 1 1 calc GR . . . .
HX H 0.352106 0.191212 0.746031 0.119 Uiso 1 1 calc GR . . . .
C07L C 0.2733(5) 0.6263(4) 0.6907(5) 0.078(3) Uani 1 1 d . . . . .
H07 H 0.248252 0.600032 0.724403 0.117 Uiso 1 1 calc GR . . . .
HY H 0.302226 0.637479 0.705243 0.117 Uiso 1 1 calc GR . . . .
HZ H 0.299297 0.603121 0.659950 0.117 Uiso 1 1 calc GR . . . .
C07M C 0.2991(10) 0.1944(7) 1.1239(5) 0.155(8) Uani 1 1 d . . . . .
H0BA H 0.309653 0.207720 1.152797 0.233 Uiso 1 1 calc GR . . . .
H9BA H 0.299197 0.150195 1.139479 0.233 Uiso 1 1 calc GR . . . .
H0CA H 0.255988 0.219640 1.117965 0.233 Uiso 1 1 calc GR . . . .
O07N O 0.3902(6) -0.1155(6) 0.6696(5) 0.145(4) Uani 1 1 d . . . . .
C07O C 0.5534(5) -0.1211(6) 0.6401(4) 0.086(3) Uani 1 1 d . . . . .
H7BA H 0.556112 -0.087496 0.653652 0.129 Uiso 1 1 calc GR . . . .
H1CA H 0.587149 -0.125567 0.602766 0.129 Uiso 1 1 calc GR . . . .
H2CA H 0.560090 -0.160460 0.671228 0.129 Uiso 1 1 calc GR . . . .
C07P C 0.4438(6) -0.1263(7) 0.6756(5) 0.093(4) Uani 1 1 d . . . . .
H8BA H 0.453085 -0.149256 0.713521 0.111 Uiso 1 1 calc R . . . .
C14 C 0.1338(7) 0.6980(5) 0.8521(6) 0.098(4) Uani 1 1 d . . . . .
H14A H 0.168087 0.713888 0.819377 0.147 Uiso 1 1 calc GR . . . .
H14B H 0.102900 0.732094 0.869734 0.147 Uiso 1 1 calc GR . . . .
H14C H 0.110801 0.681004 0.836184 0.147 Uiso 1 1 calc GR . . . .
C15 C 0.4832(8) -0.0675(6) 0.5685(7) 0.125(5) Uani 1 1 d . . . . .
H15A H 0.471017 -0.023119 0.567860 0.187 Uiso 1 1 calc GR . . . .
H15B H 0.449089 -0.076637 0.559042 0.187 Uiso 1 1 calc GR . . . .
H15C H 0.524406 -0.077227 0.538541 0.187 Uiso 1 1 calc GR . . . .
Na2 Na 0.15099(10) 0.46329(10) 0.88807(9) 0.0255(4) Uani 1 1 d . . . . .


_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
Ag1 Ag5 2.7498(5) . ?
Ag1 Ag6 2.7759(5) . ?
Ag1 Ag11 2.7944(5) . ?
Ag1 Ag2 2.7834(5) . ?
Ag1 Ag10 2.7799(5) . ?
Ag1 Ag13 2.7621(5) . ?
Ag1 Ag4 2.7569(5) . ?
Ag1 Ag12 2.7535(5) . ?
Ag1 Ag7 2.7771(5) . ?
Ag1 Ag8 2.7721(5) . ?
Ag1 Ag9 2.7817(5) . ?
Ag1 Ag3 2.7782(5) . ?
Ag5 Ag6 2.8559(5) . ?
Ag5 Ag11 2.9219(5) . ?
Ag5 Ag2 2.8207(5) . ?
Ag5 Ag10 2.9772(5) . ?
Ag5 Ag4 2.9699(5) . ?
Ag5 Ag19 3.0174(5) . ?
Ag5 S3 2.4616(12) . ?
Ag6 Ag11 2.9971(6) . ?
Ag6 Ag2 2.8483(5) . ?
Ag6 Ag12 2.9580(5) . ?
Ag6 Ag7 2.9143(5) . ?
Ag6 Ag20 3.0549(5) . ?
Ag6 S4 2.4689(12) . ?
Ag11 Ag10 2.8444(5) . ?
Ag11 Ag13 2.8404(5) . ?
Ag11 Ag12 3.0077(5) . ?
Ag11 Ag25 3.1111(6) . ?
Ag11 S5 2.4717(12) . ?
Ag2 Ag4 2.9532(5) . ?
Ag2 Ag7 2.9889(5) . ?
Ag2 Ag18 3.1932(5) . ?
Ag2 Ag3 3.0124(5) . ?
Ag2 S11 2.4529(12) . ?
Ag10 Ag13 2.8316(5) . ?
Ag10 Ag4 2.9717(6) . ?
Ag10 Ag9 2.9465(5) . ?
Ag10 Ag26 3.0903(6) . ?
Ag10 S2 2.4708(12) . ?
Ag13 Ag12 2.9105(5) . ?
Ag13 Ag8 3.0039(6) . ?
Ag13 Ag9 2.9871(5) . ?
Ag13 Ag24 3.0779(6) . ?
Ag13 S9 2.4489(12) . ?
Ag4 Ag9 2.8296(5) . ?
Ag4 Ag3 2.8375(5) . ?
Ag4 Ag28 3.0848(5) . ?
Ag4 S1 2.4615(12) . ?
Ag12 Ag7 2.8276(5) . ?
Ag12 Ag8 2.8416(5) . ?
Ag12 Ag22 3.1405(5) . ?
Ag12 S6 2.4517(12) . ?
Ag7 Ag8 2.8446(5) . ?
Ag7 Ag3 2.9907(5) . ?
Ag7 Ag21 3.2479(5) . ?
Ag7 S10 2.4478(13) . ?
Ag8 Ag9 2.9644(5) . ?
Ag8 Ag23 3.1817(5) . ?
Ag8 Ag3 2.9027(5) . ?
Ag8 S7 2.4501(11) . ?
Ag9 Ag3 2.8430(6) . ?
Ag9 Ag27 3.1315(5) . ?
Ag9 S8 2.4645(12) . ?
Ag22 Ag23 3.0363(5) . ?
Ag22 Ag21 3.1151(6) . ?
Ag22 S14 2.4593(12) . ?
Ag22 S6 2.5441(12) . ?
Ag22 S15 2.4822(13) . ?
Ag18 Ag19 3.1305(6) . ?
Ag18 Ag20 3.0867(6) . ?
Ag18 S11 2.6012(12) . ?
Ag18 S20 2.4551(13) . ?
Ag18 S21 2.4709(13) . ?
Ag24 Ag26 3.0906(6) . ?
Ag24 Ag25 3.1170(6) . ?
Ag24 S9 2.6163(12) . ?
Ag24 S24 2.4814(13) . ?
Ag24 S23 2.4670(13) . ?
Ag23 Ag21 3.1132(6) . ?
Ag23 S7 2.5383(13) . ?
Ag23 S14 2.4745(13) . ?
Ag23 S13 2.4499(13) . ?
Ag3 Ag29 3.1233(5) . ?
Ag3 S12 2.4592(12) . ?
Ag21 S10 2.5302(12) . ?
Ag21 S13 2.4751(12) . ?
Ag21 S15 2.4442(13) . ?
Ag14 S3 2.6298(12) . ?
Ag14 S1 2.6198(12) . ?
Ag14 S2 2.6098(12) . ?
Ag14 P4 2.5325(14) . ?
Ag19 Ag20 3.1757(6) . ?
Ag19 S3 2.5936(13) . ?
Ag19 S20 2.4830(13) . ?
Ag19 S19 2.4556(12) . ?
Ag26 Ag25 3.1811(6) . ?
Ag26 S2 2.5972(12) . ?
Ag26 S24 2.4734(12) . ?
Ag26 S22 2.4868(12) . ?
Ag28 Ag29 3.0187(6) . ?
Ag28 Ag27 3.0935(6) . ?
Ag28 S1 2.5688(12) . ?
Ag28 S16 2.4711(13) . ?
Ag28 S18 2.4961(13) . ?
Ag20 S4 2.5849(12) . ?
Ag20 S19 2.4948(13) . ?
Ag20 S21 2.4575(13) . ?
Ag29 Ag27 3.0401(6) . ?
Ag29 S12 2.5872(13) . ?
Ag29 S16 2.4900(12) . ?
Ag29 S17 2.4704(12) . ?
Ag27 S8 2.5386(13) . ?
Ag27 S18 2.4453(13) . ?
Ag27 S17 2.4746(14) . ?
Ag25 S5 2.6296(13) . ?
Ag25 S22 2.4540(13) . ?
Ag25 S23 2.4608(13) . ?
Ag17 S9 2.6044(12) . ?
Ag17 S7 2.6114(13) . ?
Ag17 S8 2.5747(13) . ?
Ag17 P3 2.4993(14) . ?
Ag15 S5 2.6140(13) . ?
Ag15 S4 2.6506(13) . ?
Ag15 S6 2.6319(12) . ?
Ag15 P2 2.5108(14) . ?
Ag16 S11 2.5955(12) . ?
Ag16 S12 2.5952(12) . ?
Ag16 S10 2.5970(13) . ?
Ag16 P1 2.4859(17) . ?
S11 C028 1.786(5) . ?
S5 C03M 1.790(5) . ?
S9 C02H 1.778(5) . ?
S12 C02V 1.784(5) . ?
S3 C033 1.776(5) . ?
S4 C02W 1.791(5) . ?
S1 C01V 1.777(5) . ?
S7 C02K 1.781(5) . ?
S2 C02F 1.776(5) . ?
S14 C01W 1.773(5) . ?
S24 C02C 1.782(5) . ?
S20 C021 1.774(5) . ?
S16 C023 1.776(5) . ?
S10 C024 1.778(5) . ?
S19 C03D 1.768(5) . ?
S13 C026 1.763(5) . ?
S6 C01X 1.776(5) . ?
S15 C032 1.769(5) . ?
S22 C03J 1.769(5) . ?
S8 C03G 1.783(6) . ?
S21 C02L 1.781(5) . ?
S23 C02Y 1.776(5) . ?
S18 C03A 1.777(5) . ?
S17 C037 1.765(5) . ?
P4 C03U 1.824(6) . ?
P4 C04I 1.830(6) . ?
P4 C050 1.828(6) . ?
P2 C04F 1.823(5) . ?
P2 C04T 1.830(6) . ?
P2 C04W 1.828(5) . ?
P1 C03N 1.830(6) . ?
P1 C043 1.827(6) . ?
P1 C046 1.821(6) . ?
P3 C04C 1.817(6) . ?
P3 C04L 1.818(5) . ?
P3 C04S 1.834(5) . ?
Na1 O01P 2.537(5) . ?
Na1 O01R 2.399(4) . ?
Na1 O02I 2.348(5) . ?
Na1 O02P 2.548(5) . ?
Na1 O03F 2.365(5) . ?
Na1 O03Y 2.289(5) . ?
Na1 Na2 3.266(3) . ?
Na3 O01S 2.430(5) . ?
Na3 O01T 2.488(5) . ?
Na3 O02S 2.358(6) . ?
Na3 O03H 2.291(6) . ?
Na3 O03K 2.301(6) . ?
Na3 O045 2.543(5) . ?
Na3 C05O 3.129(6) . ?
Na3 Na2 3.209(3) . ?
O01P C04X 1.228(7) . ?
O01P Na2 2.378(4) . ?
O01Q C05N 1.415(9) . ?
O01Q C063 1.401(9) . ?
O01R C05S 1.228(7) . ?
O01R Na2 2.348(4) . ?
O01S C05O 1.238(7) . ?
O01S Na2 2.339(5) . ?
O01T C059 1.228(7) . ?
O01T Na2 2.424(5) . ?
C01U C01V 1.394(7) . ?
C01U C021 1.386(7) . ?
C01V C02O 1.389(7) . ?
C01W C022 1.401(6) . ?
C01W C025 1.399(6) . ?
C01X C02E 1.389(7) . ?
C01X C02R 1.395(6) . ?
C01Y C023 1.396(6) . ?
C01Y C028 1.385(7) . ?
C01Z C024 1.397(6) . ?
C01Z C02L 1.405(6) . ?
C020 C028 1.388(7) . ?
C020 C02U 1.389(7) . ?
C021 C02G 1.400(7) . ?
C022 C02H 1.387(7) . ?
C023 C02J 1.409(7) . ?
C024 C039 1.385(7) . ?
C025 C031 1.383(8) . ?
C026 C029 1.393(6) . ?
C026 C034 1.408(7) . ?
C027 C02F 1.398(7) . ?
C027 C03A 1.397(6) . ?
C029 C02V 1.393(7) . ?
C02A C033 1.391(7) . ?
C02A C03J 1.395(7) . ?
C02B C02K 1.397(7) . ?
C02B C037 1.394(7) . ?
C02C C02D 1.386(7) . ?
C02C C03X 1.395(7) . ?
C02D C03G 1.392(7) . ?
C02E C02Y 1.396(7) . ?
C02F C02Q 1.389(7) . ?
C02G C038 1.382(8) . ?
C02H C02N 1.391(7) . ?
O02I C067 1.213(7) . ?
C02J C02U 1.375(8) . ?
C02K C03R 1.390(7) . ?
C02L C02T 1.381(7) . ?
C02M C02W 1.391(6) . ?
C02M C032 1.395(7) . ?
C02N C031 1.380(8) . ?
C02O C038 1.388(7) . ?
O02P C05X 1.215(8) . ?
O02P Na2 2.403(5) . ?
C02Q C042 1.387(8) . ?
C02R C03S 1.367(8) . ?
O02S C05V 1.237(10) . ?
C02T C047 1.397(7) . ?
C02V C03I 1.392(6) . ?
C02W C03V 1.387(7) . ?
C02X C03D 1.395(6) . ?
C02X C03M 1.389(7) . ?
C02Y C03O 1.388(7) . ?
N02Z C055 1.441(7) . ?
N02Z C059 1.334(8) . ?
N02Z C05R 1.457(8) . ?
N030 C05C 1.443(7) . ?
N030 C060 1.449(7) . ?
N030 C067 1.322(8) . ?
C032 C04B 1.406(7) . ?
C033 C03P 1.392(6) . ?
C034 C04E 1.375(8) . ?
N035 C05S 1.314(7) . ?
N035 C07A 1.448(7) . ?
N035 C07G 1.451(8) . ?
N036 C05E 1.324(8) . ?
N036 C05K 1.442(8) . ?
N036 C07L 1.432(9) . ?
C037 C04A 1.398(7) . ?
C039 C047 1.390(7) . ?
C03A C03Z 1.389(7) . ?
N03B C04X 1.333(7) . ?
N03B C05H 1.443(8) . ?
N03B C06Y 1.449(8) . ?
N03C C064 1.456(8) . ?
N03C C071 1.317(8) . ?
N03C C079 1.452(8) . ?
C03D C03T 1.399(7) . ?
N03E C05O 1.316(8) . ?
N03E C062 1.456(8) . ?
N03E C06C 1.463(8) . ?
O03F C07D 1.215(8) . ?
C03G C04O 1.387(7) . ?
O03H C05T 1.206(9) . ?
C03I C04E 1.393(8) . ?
C03J C03Q 1.402(7) . ?
O03K C06E 1.228(9) . ?
C03L C046 1.381(8) . ?
C03L C04N 1.389(8) . ?
C03M C049 1.392(7) . ?
C03N C04Y 1.389(8) . ?
C03N C05B 1.388(8) . ?
C03O C03S 1.394(8) . ?
C03P C03W 1.392(8) . ?
C03Q C03W 1.386(8) . ?
C03R C04M 1.393(8) . ?
C03T C04D 1.376(8) . ?
C03U C04Z 1.382(8) . ?
C03U C056 1.397(8) . ?
C03V C041 1.380(8) . ?
C03X C04R 1.386(8) . ?
O03Y C05E 1.215(7) . ?
C03Z C042 1.389(8) . ?
N040 C05P 1.452(10) . ?
N040 C05V 1.321(9) . ?
N040 C076 1.462(11) . ?
C041 C04B 1.395(7) . ?
C043 C058 1.387(8) . ?
C043 C05A 1.372(8) . ?
N044 C073 1.326(10) . ?
N044 C074 1.447(9) . ?
N044 C07I 1.455(9) . ?
O045 C071 1.221(7) . ?
O045 Na2 2.338(5) . ?
C046 C05I 1.397(9) . ?
C048 C04P 1.379(8) . ?
C048 C04W 1.394(8) . ?
C049 C04D 1.387(7) . ?
C04A C04M 1.367(8) . ?
C04C C04V 1.389(8) . ?
C04C C065 1.395(8) . ?
C04F C04G 1.386(8) . ?
C04F C06N 1.390(8) . ?
C04G C06G 1.375(8) . ?
N04H C05X 1.318(9) . ?
N04H C07B 1.450(9) . ?
N04H C14 1.466(11) . ?
C04I C05L 1.387(9) . ?
C04I C05U 1.379(8) . ?
C04J C04L 1.388(8) . ?
C04J C05F 1.388(9) . ?
N04K C06E 1.319(10) . ?
N04K C07E 1.442(10) . ?
N04K C07K 1.470(10) . ?
C04L C05M 1.399(7) . ?
C04N C06B 1.373(10) . ?
C04O C04R 1.394(9) . ?
C04P C05G 1.374(9) . ?
O04Q C073 1.224(10) . ?
C04S C053 1.387(8) . ?
C04S C05Z 1.388(8) . ?
C04T C054 1.379(8) . ?
C04T C06I 1.404(7) . ?
N04U C06Q 1.440(9) . ?
N04U C07D 1.324(9) . ?
N04U C07J 1.450(10) . ?
C04V C069 1.374(10) . ?
C04W C051 1.386(8) . ?
C04Y C06D 1.378(9) . ?
C04Z C06F 1.393(9) . ?
C050 C057 1.387(8) . ?
C050 C06L 1.379(8) . ?
C051 C06M 1.391(8) . ?
C052 C053 1.382(8) . ?
C052 C05D 1.369(9) . ?
C054 C06Z 1.383(9) . ?
C056 C070 1.381(9) . ?
C057 C06K 1.385(9) . ?
C058 C066 1.381(9) . ?
C05A C06A 1.400(9) . ?
C05B C078 1.390(9) . ?
C05D C06H 1.365(10) . ?
C05F C068 1.381(9) . ?
C05G C06M 1.378(9) . ?
C05I C06W 1.383(9) . ?
N05J C05T 1.307(9) . ?
N05J C07H 1.492(13) . ?
N05J C07M 1.441(15) . ?
C05L C06O 1.395(9) . ?
C05M C061 1.385(9) . ?
C05N C072 1.492(10) . ?
C05Q C05W 1.357(11) . ?
C05Q C06O 1.364(11) . ?
C05U C05W 1.401(9) . ?
C05Y C066 1.381(10) . ?
C05Y C06A 1.376(11) . ?
C05Z C06H 1.390(9) . ?
C061 C068 1.368(10) . ?
C063 C07F 1.479(12) . ?
C065 C06U 1.370(10) . ?
C069 C06S 1.377(11) . ?
C06B C06W 1.376(10) . ?
C06D C06P 1.392(11) . ?
C06F C075 1.368(10) . ?
C06G C06J 1.378(10) . ?
C06I C06R 1.385(9) . ?
C06J C06V 1.363(11) . ?
C06K C077 1.382(10) . ?
C06L C07C 1.391(9) . ?
C06N C06V 1.379(10) . ?
C06P C078 1.361(11) . ?
C06R C06X 1.373(9) . ?
C06S C06U 1.399(11) . ?
N06T C07O 1.423(11) . ?
N06T C07P 1.344(12) . ?
N06T C15 1.485(14) . ?
C06X C06Z 1.377(9) . ?
C070 C075 1.385(10) . ?
C077 C07C 1.397(11) . ?
O07N C07P 1.197(14) . ?

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
Ag5 Ag1 Ag6 62.241(13) . . ?
Ag5 Ag1 Ag11 63.602(13) . . ?
Ag5 Ag1 Ag2 61.294(13) . . ?
Ag5 Ag1 Ag10 65.147(13) . . ?
Ag5 Ag1 Ag13 116.057(16) . . ?
Ag5 Ag1 Ag4 65.275(13) . . ?
Ag5 Ag1 Ag12 117.397(15) . . ?
Ag5 Ag1 Ag7 116.089(16) . . ?
Ag5 Ag1 Ag8 177.763(17) . . ?
Ag5 Ag1 Ag9 117.262(16) . . ?
Ag5 Ag1 Ag3 116.286(15) . . ?
Ag6 Ag1 Ag11 65.102(13) . . ?
Ag6 Ag1 Ag2 61.641(13) . . ?
Ag6 Ag1 Ag10 116.595(16) . . ?
Ag6 Ag1 Ag7 63.312(13) . . ?
Ag6 Ag1 Ag9 178.357(17) . . ?
Ag6 Ag1 Ag3 117.139(17) . . ?
Ag2 Ag1 Ag11 115.692(15) . . ?
Ag10 Ag1 Ag11 61.363(13) . . ?
Ag10 Ag1 Ag2 117.070(16) . . ?
Ag10 Ag1 Ag9 63.983(13) . . ?
Ag13 Ag1 Ag6 116.438(16) . . ?
Ag13 Ag1 Ag11 61.482(13) . . ?
Ag13 Ag1 Ag2 177.120(16) . . ?
Ag13 Ag1 Ag10 61.453(13) . . ?
Ag13 Ag1 Ag7 116.409(16) . . ?
Ag13 Ag1 Ag8 65.747(13) . . ?
Ag13 Ag1 Ag9 65.206(13) . . ?
Ag13 Ag1 Ag3 117.212(15) . . ?
Ag4 Ag1 Ag6 117.235(15) . . ?
Ag4 Ag1 Ag11 116.734(16) . . ?
Ag4 Ag1 Ag2 64.419(13) . . ?
Ag4 Ag1 Ag10 64.919(14) . . ?
Ag4 Ag1 Ag13 115.943(16) . . ?
Ag4 Ag1 Ag7 117.260(16) . . ?
Ag4 Ag1 Ag8 115.414(15) . . ?
Ag4 Ag1 Ag9 61.443(13) . . ?
Ag4 Ag1 Ag3 61.677(13) . . ?
Ag12 Ag1 Ag6 64.682(13) . . ?
Ag12 Ag1 Ag11 65.654(13) . . ?
Ag12 Ag1 Ag2 116.089(16) . . ?
Ag12 Ag1 Ag10 116.298(16) . . ?
Ag12 Ag1 Ag13 63.698(13) . . ?
Ag12 Ag1 Ag4 177.285(16) . . ?
Ag12 Ag1 Ag7 61.495(13) . . ?
Ag12 Ag1 Ag8 61.896(12) . . ?
Ag12 Ag1 Ag9 116.602(15) . . ?
Ag12 Ag1 Ag3 115.890(16) . . ?
Ag7 Ag1 Ag11 117.198(16) . . ?
Ag7 Ag1 Ag2 65.029(14) . . ?
Ag7 Ag1 Ag10 177.727(17) . . ?
Ag7 Ag1 Ag9 116.179(15) . . ?
Ag7 Ag1 Ag3 65.142(14) . . ?
Ag8 Ag1 Ag6 115.938(16) . . ?
Ag8 Ag1 Ag11 117.150(15) . . ?
Ag8 Ag1 Ag2 116.873(16) . . ?
Ag8 Ag1 Ag10 117.089(15) . . ?
Ag8 Ag1 Ag7 61.675(13) . . ?
Ag8 Ag1 Ag9 64.518(13) . . ?
Ag8 Ag1 Ag3 63.063(13) . . ?
Ag9 Ag1 Ag11 116.237(16) . . ?
Ag9 Ag1 Ag2 116.717(16) . . ?
Ag3 Ag1 Ag11 177.577(17) . . ?
Ag3 Ag1 Ag2 65.589(13) . . ?
Ag3 Ag1 Ag10 116.278(16) . . ?
Ag3 Ag1 Ag9 61.506(14) . . ?
Ag1 Ag5 Ag6 59.328(12) . . ?
Ag1 Ag5 Ag11 58.944(12) . . ?
Ag1 Ag5 Ag2 59.941(12) . . ?
Ag1 Ag5 Ag10 57.915(12) . . ?
Ag1 Ag5 Ag4 57.478(12) . . ?
Ag1 Ag5 Ag19 142.952(18) . . ?
Ag6 Ag5 Ag11 62.482(13) . . ?
Ag6 Ag5 Ag10 108.239(15) . . ?
Ag6 Ag5 Ag4 108.326(15) . . ?
Ag6 Ag5 Ag19 90.435(15) . . ?
Ag11 Ag5 Ag10 57.647(12) . . ?
Ag11 Ag5 Ag4 106.686(15) . . ?
Ag11 Ag5 Ag19 128.374(16) . . ?
Ag2 Ag5 Ag6 60.229(13) . . ?
Ag2 Ag5 Ag11 110.628(15) . . ?
Ag2 Ag5 Ag10 109.832(15) . . ?
Ag2 Ag5 Ag4 61.264(13) . . ?
Ag2 Ag5 Ag19 87.445(15) . . ?
Ag10 Ag5 Ag19 159.035(17) . . ?
Ag4 Ag5 Ag10 59.959(13) . . ?
Ag4 Ag5 Ag19 123.924(15) . . ?
S3 Ag5 Ag1 160.88(3) . . ?
S3 Ag5 Ag6 138.28(3) . . ?
S3 Ag5 Ag11 117.73(3) . . ?
S3 Ag5 Ag2 130.69(3) . . ?
S3 Ag5 Ag10 103.65(3) . . ?
S3 Ag5 Ag4 110.69(3) . . ?
S3 Ag5 Ag19 55.39(3) . . ?
Ag1 Ag6 Ag5 58.431(12) . . ?
Ag1 Ag6 Ag11 57.748(12) . . ?
Ag1 Ag6 Ag2 59.310(12) . . ?
Ag1 Ag6 Ag12 57.292(12) . . ?
Ag1 Ag6 Ag7 58.365(13) . . ?
Ag1 Ag6 Ag20 148.207(17) . . ?
Ag5 Ag6 Ag11 59.836(13) . . ?
Ag5 Ag6 Ag12 107.940(15) . . ?
Ag5 Ag6 Ag7 108.712(15) . . ?
Ag5 Ag6 Ag20 95.493(15) . . ?
Ag11 Ag6 Ag20 127.762(15) . . ?
Ag2 Ag6 Ag5 59.272(13) . . ?
Ag2 Ag6 Ag11 107.749(15) . . ?
Ag2 Ag6 Ag12 108.000(15) . . ?
Ag2 Ag6 Ag7 62.473(13) . . ?
Ag2 Ag6 Ag20 92.759(15) . . ?
Ag12 Ag6 Ag11 60.667(12) . . ?
Ag12 Ag6 Ag20 154.325(16) . . ?
Ag7 Ag6 Ag11 107.109(15) . . ?
Ag7 Ag6 Ag12 57.563(13) . . ?
Ag7 Ag6 Ag20 124.841(17) . . ?
S4 Ag6 Ag1 156.70(3) . . ?
S4 Ag6 Ag5 132.61(3) . . ?
S4 Ag6 Ag11 106.96(3) . . ?
S4 Ag6 Ag2 142.70(3) . . ?
S4 Ag6 Ag12 100.57(3) . . ?
S4 Ag6 Ag7 118.51(3) . . ?
S4 Ag6 Ag20 54.56(3) . . ?
Ag1 Ag11 Ag5 57.454(12) . . ?
Ag1 Ag11 Ag6 57.150(12) . . ?
Ag1 Ag11 Ag10 59.067(13) . . ?
Ag1 Ag11 Ag13 58.698(12) . . ?
Ag1 Ag11 Ag12 56.517(12) . . ?
Ag1 Ag11 Ag25 146.615(16) . . ?
Ag5 Ag11 Ag6 57.682(12) . . ?
Ag5 Ag11 Ag12 104.925(15) . . ?
Ag5 Ag11 Ag25 131.981(16) . . ?
Ag6 Ag11 Ag12 59.023(13) . . ?
Ag6 Ag11 Ag25 155.569(16) . . ?
Ag10 Ag11 Ag5 62.152(13) . . ?
Ag10 Ag11 Ag6 108.001(15) . . ?
Ag10 Ag11 Ag12 106.832(14) . . ?
Ag10 Ag11 Ag25 94.999(16) . . ?
Ag13 Ag11 Ag5 108.466(15) . . ?
Ag13 Ag11 Ag6 107.469(15) . . ?
Ag13 Ag11 Ag10 59.750(12) . . ?
Ag13 Ag11 Ag12 59.610(13) . . ?
Ag13 Ag11 Ag25 90.984(15) . . ?
Ag12 Ag11 Ag25 122.540(15) . . ?
S5 Ag11 Ag1 156.35(3) . . ?
S5 Ag11 Ag5 120.86(3) . . ?
S5 Ag11 Ag6 100.82(3) . . ?
S5 Ag11 Ag10 143.87(3) . . ?
S5 Ag11 Ag13 130.62(3) . . ?
S5 Ag11 Ag12 106.51(3) . . ?
S5 Ag11 Ag25 54.76(3) . . ?
Ag1 Ag2 Ag5 58.765(13) . . ?
Ag1 Ag2 Ag6 59.049(12) . . ?
Ag1 Ag2 Ag4 57.355(12) . . ?
Ag1 Ag2 Ag7 57.384(12) . . ?
Ag1 Ag2 Ag18 148.158(16) . . ?
Ag1 Ag2 Ag3 57.122(12) . . ?
Ag5 Ag2 Ag6 60.499(13) . . ?
Ag5 Ag2 Ag4 61.860(13) . . ?
Ag5 Ag2 Ag7 107.608(15) . . ?
Ag5 Ag2 Ag18 97.750(15) . . ?
Ag5 Ag2 Ag3 107.166(15) . . ?
Ag6 Ag2 Ag4 108.997(16) . . ?
Ag6 Ag2 Ag7 59.846(13) . . ?
Ag6 Ag2 Ag18 91.486(14) . . ?
Ag6 Ag2 Ag3 107.894(15) . . ?
Ag4 Ag2 Ag7 105.346(15) . . ?
Ag4 Ag2 Ag18 133.861(16) . . ?
Ag4 Ag2 Ag3 56.792(12) . . ?
Ag7 Ag2 Ag18 120.579(16) . . ?
Ag7 Ag2 Ag3 59.780(13) . . ?
Ag3 Ag2 Ag18 153.693(16) . . ?
S11 Ag2 Ag1 155.34(3) . . ?
S11 Ag2 Ag5 145.59(3) . . ?
S11 Ag2 Ag6 128.39(3) . . ?
S11 Ag2 Ag4 122.61(3) . . ?
S11 Ag2 Ag7 103.60(3) . . ?
S11 Ag2 Ag18 52.91(3) . . ?
S11 Ag2 Ag3 100.79(3) . . ?
Ag1 Ag10 Ag5 56.938(12) . . ?
Ag1 Ag10 Ag11 59.571(12) . . ?
Ag1 Ag10 Ag13 58.964(12) . . ?
Ag1 Ag10 Ag4 57.167(13) . . ?
Ag1 Ag10 Ag9 58.039(12) . . ?
Ag1 Ag10 Ag26 146.486(17) . . ?
Ag5 Ag10 Ag26 124.410(15) . . ?
Ag11 Ag10 Ag5 60.201(12) . . ?
Ag11 Ag10 Ag4 108.698(16) . . ?
Ag11 Ag10 Ag9 109.689(15) . . ?
Ag11 Ag10 Ag26 90.952(15) . . ?
Ag13 Ag10 Ag5 107.183(16) . . ?
Ag13 Ag10 Ag11 60.055(13) . . ?
Ag13 Ag10 Ag4 107.437(16) . . ?
Ag13 Ag10 Ag9 62.221(13) . . ?
Ag13 Ag10 Ag26 93.758(15) . . ?
Ag4 Ag10 Ag5 59.899(12) . . ?
Ag4 Ag10 Ag26 156.244(16) . . ?
Ag9 Ag10 Ag5 105.747(16) . . ?
Ag9 Ag10 Ag4 57.123(12) . . ?
Ag9 Ag10 Ag26 129.317(16) . . ?
S2 Ag10 Ag1 158.11(3) . . ?
S2 Ag10 Ag5 108.73(3) . . ?
S2 Ag10 Ag11 131.19(3) . . ?
S2 Ag10 Ag13 141.60(3) . . ?
S2 Ag10 Ag4 101.97(3) . . ?
S2 Ag10 Ag9 118.80(3) . . ?
S2 Ag10 Ag26 54.31(3) . . ?
Ag1 Ag13 Ag11 59.820(12) . . ?
Ag1 Ag13 Ag10 59.583(13) . . ?
Ag1 Ag13 Ag12 58.007(12) . . ?
Ag1 Ag13 Ag8 57.287(12) . . ?
Ag1 Ag13 Ag9 57.715(12) . . ?
Ag1 Ag13 Ag24 146.870(16) . . ?
Ag11 Ag13 Ag12 63.055(13) . . ?
Ag11 Ag13 Ag8 108.703(15) . . ?
Ag11 Ag13 Ag9 108.659(15) . . ?
Ag11 Ag13 Ag24 93.792(15) . . ?
Ag10 Ag13 Ag11 60.195(13) . . ?
Ag10 Ag13 Ag12 109.871(16) . . ?
Ag10 Ag13 Ag8 108.469(15) . . ?
Ag10 Ag13 Ag9 60.776(13) . . ?
Ag10 Ag13 Ag24 90.835(15) . . ?
Ag12 Ag13 Ag8 57.405(13) . . ?
Ag12 Ag13 Ag9 105.976(16) . . ?
Ag12 Ag13 Ag24 130.609(16) . . ?
Ag8 Ag13 Ag24 155.510(16) . . ?
Ag9 Ag13 Ag8 59.312(12) . . ?
Ag9 Ag13 Ag24 123.084(16) . . ?
S9 Ag13 Ag1 155.45(3) . . ?
S9 Ag13 Ag11 144.39(3) . . ?
S9 Ag13 Ag10 128.51(3) . . ?
S9 Ag13 Ag12 121.59(3) . . ?
S9 Ag13 Ag8 100.47(3) . . ?
S9 Ag13 Ag9 103.56(3) . . ?
S9 Ag13 Ag24 55.10(3) . . ?
Ag1 Ag4 Ag5 57.246(12) . . ?
Ag1 Ag4 Ag2 58.226(12) . . ?
Ag1 Ag4 Ag10 57.915(12) . . ?
Ag1 Ag4 Ag9 59.710(12) . . ?
Ag1 Ag4 Ag3 59.531(12) . . ?
Ag1 Ag4 Ag28 146.161(16) . . ?
Ag5 Ag4 Ag10 60.142(12) . . ?
Ag5 Ag4 Ag28 156.572(16) . . ?
Ag2 Ag4 Ag5 56.877(12) . . ?
Ag2 Ag4 Ag10 106.434(15) . . ?
Ag2 Ag4 Ag28 126.851(16) . . ?
Ag10 Ag4 Ag28 126.266(16) . . ?
Ag9 Ag4 Ag5 109.029(15) . . ?
Ag9 Ag4 Ag2 110.013(16) . . ?
Ag9 Ag4 Ag10 60.990(13) . . ?
Ag9 Ag4 Ag3 60.221(13) . . ?
Ag9 Ag4 Ag28 91.669(14) . . ?
Ag3 Ag4 Ag5 107.880(15) . . ?
Ag3 Ag4 Ag2 62.655(14) . . ?
Ag3 Ag4 Ag10 108.685(15) . . ?
Ag3 Ag4 Ag28 91.681(14) . . ?
S1 Ag4 Ag1 159.44(3) . . ?
S1 Ag4 Ag5 103.12(3) . . ?
S1 Ag4 Ag2 118.65(3) . . ?
S1 Ag4 Ag10 108.80(3) . . ?
S1 Ag4 Ag9 130.81(3) . . ?
S1 Ag4 Ag3 139.73(3) . . ?
S1 Ag4 Ag28 53.77(3) . . ?
Ag1 Ag12 Ag6 58.026(12) . . ?
Ag1 Ag12 Ag11 57.829(12) . . ?
Ag1 Ag12 Ag13 58.295(12) . . ?
Ag1 Ag12 Ag7 59.665(13) . . ?
Ag1 Ag12 Ag8 59.375(12) . . ?
Ag1 Ag12 Ag22 144.605(16) . . ?
Ag6 Ag12 Ag11 60.309(13) . . ?
Ag6 Ag12 Ag22 125.698(16) . . ?
Ag11 Ag12 Ag22 157.561(16) . . ?
Ag13 Ag12 Ag6 106.676(15) . . ?
Ag13 Ag12 Ag11 57.335(13) . . ?
Ag13 Ag12 Ag22 126.905(15) . . ?
Ag7 Ag12 Ag6 60.443(13) . . ?
Ag7 Ag12 Ag11 109.127(15) . . ?
Ag7 Ag12 Ag13 110.257(16) . . ?
Ag7 Ag12 Ag8 60.232(13) . . ?
Ag7 Ag12 Ag22 90.408(15) . . ?
Ag8 Ag12 Ag6 108.366(15) . . ?
Ag8 Ag12 Ag11 108.563(15) . . ?
Ag8 Ag12 Ag13 62.950(13) . . ?
Ag8 Ag12 Ag22 90.470(15) . . ?
S6 Ag12 Ag1 162.59(3) . . ?
S6 Ag12 Ag6 111.51(3) . . ?
S6 Ag12 Ag11 105.33(3) . . ?
S6 Ag12 Ag13 118.54(3) . . ?
S6 Ag12 Ag7 130.11(3) . . ?
S6 Ag12 Ag8 136.70(3) . . ?
S6 Ag12 Ag22 52.37(3) . . ?
Ag1 Ag7 Ag6 58.323(12) . . ?
Ag1 Ag7 Ag2 57.587(12) . . ?
Ag1 Ag7 Ag12 58.840(13) . . ?
Ag1 Ag7 Ag8 59.076(13) . . ?
Ag1 Ag7 Ag3 57.447(12) . . ?
Ag1 Ag7 Ag21 146.644(16) . . ?
Ag6 Ag7 Ag2 57.681(12) . . ?
Ag6 Ag7 Ag3 106.745(15) . . ?
Ag6 Ag7 Ag21 130.023(16) . . ?
Ag2 Ag7 Ag3 60.500(12) . . ?
Ag2 Ag7 Ag21 155.495(16) . . ?
Ag12 Ag7 Ag6 61.995(13) . . ?
Ag12 Ag7 Ag2 107.707(16) . . ?
Ag12 Ag7 Ag8 60.128(13) . . ?
Ag12 Ag7 Ag3 107.340(16) . . ?
Ag12 Ag7 Ag21 94.632(15) . . ?
Ag8 Ag7 Ag6 109.508(16) . . ?
Ag8 Ag7 Ag2 108.454(16) . . ?
Ag8 Ag7 Ag3 59.598(13) . . ?
Ag8 Ag7 Ag21 91.164(14) . . ?
Ag3 Ag7 Ag21 122.745(15) . . ?
S10 Ag7 Ag1 160.48(3) . . ?
S10 Ag7 Ag6 122.84(3) . . ?
S10 Ag7 Ag2 105.15(3) . . ?
S10 Ag7 Ag12 140.53(3) . . ?
S10 Ag7 Ag8 127.14(3) . . ?
S10 Ag7 Ag3 107.55(3) . . ?
S10 Ag7 Ag21 50.38(3) . . ?
Ag1 Ag8 Ag13 56.965(12) . . ?
Ag1 Ag8 Ag12 58.729(12) . . ?
Ag1 Ag8 Ag7 59.249(12) . . ?
Ag1 Ag8 Ag9 57.898(12) . . ?
Ag1 Ag8 Ag23 147.323(16) . . ?
Ag1 Ag8 Ag3 58.571(12) . . ?
Ag13 Ag8 Ag23 125.415(15) . . ?
Ag12 Ag8 Ag13 59.644(13) . . ?
Ag12 Ag8 Ag7 59.640(13) . . ?
Ag12 Ag8 Ag9 108.396(16) . . ?
Ag12 Ag8 Ag23 92.997(15) . . ?
Ag12 Ag8 Ag3 109.402(15) . . ?
Ag7 Ag8 Ag13 107.187(15) . . ?
Ag7 Ag8 Ag9 108.631(15) . . ?
Ag7 Ag8 Ag23 93.539(16) . . ?
Ag7 Ag8 Ag3 62.705(13) . . ?
Ag9 Ag8 Ag13 60.062(13) . . ?
Ag9 Ag8 Ag23 154.752(15) . . ?
Ag3 Ag8 Ag13 106.377(15) . . ?
Ag3 Ag8 Ag9 57.958(13) . . ?
Ag3 Ag8 Ag23 127.813(17) . . ?
S7 Ag8 Ag1 160.24(3) . . ?
S7 Ag8 Ag13 110.31(3) . . ?
S7 Ag8 Ag12 131.20(3) . . ?
S7 Ag8 Ag7 139.38(3) . . ?
S7 Ag8 Ag9 103.23(3) . . ?
S7 Ag8 Ag23 51.61(3) . . ?
S7 Ag8 Ag3 118.79(3) . . ?
Ag1 Ag9 Ag10 57.978(12) . . ?
Ag1 Ag9 Ag13 57.080(12) . . ?
Ag1 Ag9 Ag4 58.846(12) . . ?
Ag1 Ag9 Ag8 57.584(12) . . ?
Ag1 Ag9 Ag3 59.187(12) . . ?
Ag1 Ag9 Ag27 145.259(17) . . ?
Ag10 Ag9 Ag13 57.003(12) . . ?
Ag10 Ag9 Ag8 106.501(15) . . ?
Ag10 Ag9 Ag27 129.654(16) . . ?
Ag13 Ag9 Ag27 157.515(16) . . ?
Ag4 Ag9 Ag10 61.886(13) . . ?
Ag4 Ag9 Ag13 107.072(15) . . ?
Ag4 Ag9 Ag8 107.522(15) . . ?
Ag4 Ag9 Ag3 60.027(13) . . ?
Ag4 Ag9 Ag27 93.117(15) . . ?
Ag8 Ag9 Ag13 60.626(13) . . ?
Ag8 Ag9 Ag27 123.096(16) . . ?
Ag3 Ag9 Ag10 109.239(16) . . ?
Ag3 Ag9 Ag13 108.397(15) . . ?
Ag3 Ag9 Ag8 59.933(13) . . ?
Ag3 Ag9 Ag27 90.048(15) . . ?
S8 Ag9 Ag1 161.18(3) . . ?
S8 Ag9 Ag10 120.21(3) . . ?
S8 Ag9 Ag13 105.21(3) . . ?
S8 Ag9 Ag4 139.09(3) . . ?
S8 Ag9 Ag8 109.93(3) . . ?
S8 Ag9 Ag3 129.80(3) . . ?
S8 Ag9 Ag27 52.32(3) . . ?
Ag23 Ag22 Ag12 90.184(15) . . ?
Ag23 Ag22 Ag21 60.793(13) . . ?
Ag21 Ag22 Ag12 91.349(15) . . ?
S14 Ag22 Ag12 112.84(3) . . ?
S14 Ag22 Ag23 52.25(3) . . ?
S14 Ag22 Ag21 107.14(3) . . ?
S14 Ag22 S6 115.77(4) . . ?
S14 Ag22 S15 128.09(4) . . ?
S6 Ag22 Ag12 49.75(3) . . ?
S6 Ag22 Ag23 133.30(3) . . ?
S6 Ag22 Ag21 130.14(3) . . ?
S15 Ag22 Ag12 113.45(3) . . ?
S15 Ag22 Ag23 105.83(3) . . ?
S15 Ag22 Ag21 50.24(3) . . ?
S15 Ag22 S6 111.51(4) . . ?
Ag19 Ag18 Ag2 79.352(14) . . ?
Ag20 Ag18 Ag2 85.808(14) . . ?
Ag20 Ag18 Ag19 61.429(13) . . ?
S11 Ag18 Ag2 48.78(3) . . ?
S11 Ag18 Ag19 123.48(3) . . ?
S11 Ag18 Ag20 123.25(3) . . ?
S20 Ag18 Ag2 101.69(3) . . ?
S20 Ag18 Ag19 51.05(3) . . ?
S20 Ag18 Ag20 108.36(3) . . ?
S20 Ag18 S11 112.24(4) . . ?
S20 Ag18 S21 134.37(4) . . ?
S21 Ag18 Ag2 114.39(3) . . ?
S21 Ag18 Ag19 108.10(3) . . ?
S21 Ag18 Ag20 51.03(3) . . ?
S21 Ag18 S11 112.42(4) . . ?
Ag13 Ag24 Ag26 89.067(15) . . ?
Ag13 Ag24 Ag25 86.597(15) . . ?
Ag26 Ag24 Ag25 61.653(13) . . ?
S9 Ag24 Ag13 50.14(3) . . ?
S9 Ag24 Ag26 127.32(3) . . ?
S9 Ag24 Ag25 130.98(3) . . ?
S24 Ag24 Ag13 114.59(3) . . ?
S24 Ag24 Ag26 51.29(3) . . ?
S24 Ag24 Ag25 107.42(3) . . ?
S24 Ag24 S9 110.97(4) . . ?
S23 Ag24 Ag13 109.26(3) . . ?
S23 Ag24 Ag26 107.07(3) . . ?
S23 Ag24 Ag25 50.68(3) . . ?
S23 Ag24 S9 116.39(4) . . ?
S23 Ag24 S24 129.23(4) . . ?
Ag22 Ag23 Ag8 86.268(14) . . ?
Ag22 Ag23 Ag21 60.854(13) . . ?
Ag21 Ag23 Ag8 87.688(14) . . ?
S7 Ag23 Ag8 49.16(3) . . ?
S7 Ag23 Ag22 125.35(3) . . ?
S7 Ag23 Ag21 130.64(3) . . ?
S14 Ag23 Ag8 111.50(3) . . ?
S14 Ag23 Ag22 51.79(3) . . ?
S14 Ag23 Ag21 106.80(3) . . ?
S14 Ag23 S7 110.58(4) . . ?
S13 Ag23 Ag8 111.74(3) . . ?
S13 Ag23 Ag22 107.31(3) . . ?
S13 Ag23 Ag21 51.15(3) . . ?
S13 Ag23 S7 116.96(4) . . ?
S13 Ag23 S14 129.56(4) . . ?
Ag1 Ag3 Ag2 57.288(12) . . ?
Ag1 Ag3 Ag4 58.791(12) . . ?
Ag1 Ag3 Ag7 57.411(13) . . ?
Ag1 Ag3 Ag8 58.366(12) . . ?
Ag1 Ag3 Ag9 59.307(13) . . ?
Ag1 Ag3 Ag29 146.471(17) . . ?
Ag2 Ag3 Ag29 124.370(15) . . ?
Ag4 Ag3 Ag2 60.552(13) . . ?
Ag4 Ag3 Ag7 108.307(15) . . ?
Ag4 Ag3 Ag8 109.019(16) . . ?
Ag4 Ag3 Ag9 59.752(14) . . ?
Ag4 Ag3 Ag29 91.621(15) . . ?
Ag7 Ag3 Ag2 59.720(12) . . ?
Ag7 Ag3 Ag29 156.009(17) . . ?
Ag8 Ag3 Ag2 106.299(15) . . ?
Ag8 Ag3 Ag7 57.697(13) . . ?
Ag8 Ag3 Ag29 128.858(16) . . ?
Ag9 Ag3 Ag2 107.991(15) . . ?
Ag9 Ag3 Ag7 107.947(15) . . ?
Ag9 Ag3 Ag8 62.109(13) . . ?
Ag9 Ag3 Ag29 93.445(15) . . ?
S12 Ag3 Ag1 158.63(3) . . ?
S12 Ag3 Ag2 108.18(3) . . ?
S12 Ag3 Ag4 131.16(3) . . ?
S12 Ag3 Ag7 102.42(3) . . ?
S12 Ag3 Ag8 119.43(3) . . ?
S12 Ag3 Ag9 141.03(3) . . ?
S12 Ag3 Ag29 53.63(3) . . ?
Ag22 Ag21 Ag7 83.566(15) . . ?
Ag23 Ag21 Ag7 87.424(15) . . ?
Ag23 Ag21 Ag22 58.353(12) . . ?
S10 Ag21 Ag7 48.18(3) . . ?
S10 Ag21 Ag22 127.77(3) . . ?
S10 Ag21 Ag23 124.61(3) . . ?
S13 Ag21 Ag7 113.39(3) . . ?
S13 Ag21 Ag22 104.33(3) . . ?
S13 Ag21 Ag23 50.44(3) . . ?
S13 Ag21 S10 111.82(4) . . ?
S15 Ag21 Ag7 107.40(3) . . ?
S15 Ag21 Ag22 51.32(3) . . ?
S15 Ag21 Ag23 104.56(3) . . ?
S15 Ag21 S10 117.84(4) . . ?
S15 Ag21 S13 129.14(4) . . ?
S1 Ag14 S3 114.65(4) . . ?
S2 Ag14 S3 113.61(4) . . ?
S2 Ag14 S1 110.58(4) . . ?
P4 Ag14 S3 101.04(4) . . ?
P4 Ag14 S1 105.64(4) . . ?
P4 Ag14 S2 110.57(4) . . ?
Ag5 Ag19 Ag18 95.095(15) . . ?
Ag5 Ag19 Ag20 89.909(14) . . ?
Ag18 Ag19 Ag20 58.606(13) . . ?
S3 Ag19 Ag5 51.37(3) . . ?
S3 Ag19 Ag18 136.93(3) . . ?
S3 Ag19 Ag20 133.20(3) . . ?
S20 Ag19 Ag5 115.27(3) . . ?
S20 Ag19 Ag18 50.27(3) . . ?
S20 Ag19 Ag20 104.99(3) . . ?
S20 Ag19 S3 114.46(4) . . ?
S19 Ag19 Ag5 112.40(3) . . ?
S19 Ag19 Ag18 101.89(3) . . ?
S19 Ag19 Ag20 50.64(3) . . ?
S19 Ag19 S3 114.93(4) . . ?
S19 Ag19 S20 125.71(4) . . ?
Ag10 Ag26 Ag24 85.929(15) . . ?
Ag10 Ag26 Ag25 88.957(15) . . ?
Ag24 Ag26 Ag25 59.581(13) . . ?
S2 Ag26 Ag10 50.59(3) . . ?
S2 Ag26 Ag24 129.43(3) . . ?
S2 Ag26 Ag25 130.31(3) . . ?
S24 Ag26 Ag10 109.23(3) . . ?
S24 Ag26 Ag24 51.52(3) . . ?
S24 Ag26 Ag25 105.73(3) . . ?
S24 Ag26 S2 113.62(4) . . ?
S24 Ag26 S22 128.65(4) . . ?
S22 Ag26 Ag10 113.36(3) . . ?
S22 Ag26 Ag24 104.34(3) . . ?
S22 Ag26 Ag25 49.47(3) . . ?
S22 Ag26 S2 115.18(4) . . ?
Ag4 Ag28 Ag27 89.070(14) . . ?
Ag29 Ag28 Ag4 89.013(15) . . ?
Ag29 Ag28 Ag27 59.638(13) . . ?
S1 Ag28 Ag4 50.62(3) . . ?
S1 Ag28 Ag29 133.81(3) . . ?
S1 Ag28 Ag27 128.44(3) . . ?
S16 Ag28 Ag4 112.21(3) . . ?
S16 Ag28 Ag29 52.81(3) . . ?
S16 Ag28 Ag27 107.30(3) . . ?
S16 Ag28 S1 116.53(4) . . ?
S16 Ag28 S18 128.45(4) . . ?
S18 Ag28 Ag4 112.80(3) . . ?
S18 Ag28 Ag29 104.64(3) . . ?
S18 Ag28 Ag27 50.51(3) . . ?
S18 Ag28 S1 110.96(4) . . ?
Ag6 Ag20 Ag18 89.760(14) . . ?
Ag6 Ag20 Ag19 84.007(14) . . ?
Ag18 Ag20 Ag19 59.965(13) . . ?
S4 Ag20 Ag6 51.09(3) . . ?
S4 Ag20 Ag18 135.61(3) . . ?
S4 Ag20 Ag19 123.55(3) . . ?
S19 Ag20 Ag6 109.77(3) . . ?
S19 Ag20 Ag18 102.16(3) . . ?
S19 Ag20 Ag19 49.56(3) . . ?
S19 Ag20 S4 109.84(4) . . ?
S21 Ag20 Ag6 115.19(3) . . ?
S21 Ag20 Ag18 51.42(3) . . ?
S21 Ag20 Ag19 107.09(3) . . ?
S21 Ag20 S4 121.23(4) . . ?
S21 Ag20 S19 125.93(4) . . ?
Ag28 Ag29 Ag3 87.609(14) . . ?
Ag28 Ag29 Ag27 61.404(14) . . ?
Ag27 Ag29 Ag3 86.699(15) . . ?
S12 Ag29 Ag3 49.94(3) . . ?
S12 Ag29 Ag28 126.82(3) . . ?
S12 Ag29 Ag27 130.32(3) . . ?
S16 Ag29 Ag3 112.52(3) . . ?
S16 Ag29 Ag28 52.24(3) . . ?
S16 Ag29 Ag27 108.41(3) . . ?
S16 Ag29 S12 110.08(4) . . ?
S17 Ag29 Ag3 111.18(3) . . ?
S17 Ag29 Ag28 108.10(4) . . ?
S17 Ag29 Ag27 52.13(3) . . ?
S17 Ag29 S12 115.82(4) . . ?
S17 Ag29 S16 130.24(4) . . ?
Ag28 Ag27 Ag9 86.019(14) . . ?
Ag29 Ag27 Ag9 89.569(15) . . ?
Ag29 Ag27 Ag28 58.958(13) . . ?
S8 Ag27 Ag9 50.20(3) . . ?
S8 Ag27 Ag28 129.85(3) . . ?
S8 Ag27 Ag29 130.14(3) . . ?
S18 Ag27 Ag9 109.43(3) . . ?
S18 Ag27 Ag28 51.98(3) . . ?
S18 Ag27 Ag29 105.33(4) . . ?
S18 Ag27 S8 114.50(5) . . ?
S18 Ag27 S17 127.76(4) . . ?
S17 Ag27 Ag9 115.61(3) . . ?
S17 Ag27 Ag28 105.75(3) . . ?
S17 Ag27 Ag29 52.00(3) . . ?
S17 Ag27 S8 114.18(4) . . ?
Ag11 Ag25 Ag24 87.943(14) . . ?
Ag11 Ag25 Ag26 84.593(15) . . ?
Ag24 Ag25 Ag26 58.766(12) . . ?
S5 Ag25 Ag11 50.15(3) . . ?
S5 Ag25 Ag24 128.90(3) . . ?
S5 Ag25 Ag26 128.42(3) . . ?
S22 Ag25 Ag11 107.11(3) . . ?
S22 Ag25 Ag24 104.40(3) . . ?
S22 Ag25 Ag26 50.37(3) . . ?
S22 Ag25 S5 114.16(4) . . ?
S22 Ag25 S23 128.72(5) . . ?
S23 Ag25 Ag11 114.43(3) . . ?
S23 Ag25 Ag24 50.85(3) . . ?
S23 Ag25 Ag26 104.57(3) . . ?
S23 Ag25 S5 115.21(4) . . ?
S9 Ag17 S7 111.33(4) . . ?
S8 Ag17 S9 109.51(4) . . ?
S8 Ag17 S7 115.34(4) . . ?
P3 Ag17 S9 112.16(4) . . ?
P3 Ag17 S7 102.27(4) . . ?
P3 Ag17 S8 105.96(4) . . ?
S5 Ag15 S4 105.94(4) . . ?
S5 Ag15 S6 113.75(4) . . ?
S6 Ag15 S4 109.88(4) . . ?
P2 Ag15 S5 112.95(4) . . ?
P2 Ag15 S4 114.18(4) . . ?
P2 Ag15 S6 100.31(4) . . ?
S11 Ag16 S10 108.58(4) . . ?
S12 Ag16 S11 109.75(4) . . ?
S12 Ag16 S10 110.50(4) . . ?
P1 Ag16 S11 112.68(4) . . ?
P1 Ag16 S12 112.03(4) . . ?
P1 Ag16 S10 103.08(4) . . ?
Ag2 S11 Ag18 78.31(4) . . ?
Ag2 S11 Ag16 94.23(4) . . ?
Ag16 S11 Ag18 144.59(5) . . ?
C028 S11 Ag2 108.70(16) . . ?
C028 S11 Ag18 120.98(15) . . ?
C028 S11 Ag16 94.30(14) . . ?
Ag11 S5 Ag25 75.09(3) . . ?
Ag11 S5 Ag15 91.84(4) . . ?
Ag15 S5 Ag25 137.09(5) . . ?
C03M S5 Ag11 107.95(16) . . ?
C03M S5 Ag25 123.22(16) . . ?
C03M S5 Ag15 99.67(16) . . ?
Ag13 S9 Ag24 74.76(3) . . ?
Ag13 S9 Ag17 91.41(4) . . ?
Ag17 S9 Ag24 144.47(5) . . ?
C02H S9 Ag13 107.95(16) . . ?
C02H S9 Ag24 119.43(16) . . ?
C02H S9 Ag17 95.85(16) . . ?
Ag3 S12 Ag29 76.43(4) . . ?
Ag3 S12 Ag16 91.51(4) . . ?
Ag29 S12 Ag16 144.78(5) . . ?
C02V S12 Ag3 107.75(16) . . ?
C02V S12 Ag29 117.19(16) . . ?
C02V S12 Ag16 97.96(16) . . ?
Ag5 S3 Ag14 85.52(4) . . ?
Ag5 S3 Ag19 73.24(3) . . ?
Ag19 S3 Ag14 136.30(5) . . ?
C033 S3 Ag5 102.10(15) . . ?
C033 S3 Ag14 106.77(16) . . ?
C033 S3 Ag19 114.69(16) . . ?
Ag6 S4 Ag20 74.34(3) . . ?
Ag6 S4 Ag15 91.83(4) . . ?
Ag20 S4 Ag15 148.12(5) . . ?
C02W S4 Ag6 106.90(15) . . ?
C02W S4 Ag20 111.37(16) . . ?
C02W S4 Ag15 100.04(15) . . ?
Ag4 S1 Ag14 86.69(4) . . ?
Ag4 S1 Ag28 75.62(3) . . ?
Ag28 S1 Ag14 143.39(5) . . ?
C01V S1 Ag4 101.22(16) . . ?
C01V S1 Ag14 105.49(16) . . ?
C01V S1 Ag28 109.21(16) . . ?
Ag8 S7 Ag23 79.24(4) . . ?
Ag8 S7 Ag17 87.46(4) . . ?
Ag23 S7 Ag17 144.62(5) . . ?
C02K S7 Ag8 107.09(15) . . ?
C02K S7 Ag23 115.06(17) . . ?
C02K S7 Ag17 100.13(16) . . ?
Ag10 S2 Ag14 86.84(4) . . ?
Ag10 S2 Ag26 75.10(3) . . ?
Ag26 S2 Ag14 138.38(5) . . ?
C02F S2 Ag10 106.92(16) . . ?
C02F S2 Ag14 102.60(16) . . ?
C02F S2 Ag26 118.37(16) . . ?
Ag22 S14 Ag23 75.96(3) . . ?
C01W S14 Ag22 109.72(15) . . ?
C01W S14 Ag23 106.09(16) . . ?
Ag26 S24 Ag24 77.18(4) . . ?
C02C S24 Ag24 107.21(17) . . ?
C02C S24 Ag26 109.45(16) . . ?
Ag18 S20 Ag19 78.68(4) . . ?
C021 S20 Ag18 106.23(15) . . ?
C021 S20 Ag19 109.11(17) . . ?
Ag28 S16 Ag29 74.96(4) . . ?
C023 S16 Ag28 112.90(16) . . ?
C023 S16 Ag29 105.02(16) . . ?
Ag7 S10 Ag21 81.43(4) . . ?
Ag7 S10 Ag16 90.81(4) . . ?
Ag21 S10 Ag16 144.39(5) . . ?
C024 S10 Ag7 108.85(17) . . ?
C024 S10 Ag21 119.06(16) . . ?
C024 S10 Ag16 96.38(15) . . ?
Ag19 S19 Ag20 79.80(4) . . ?
C03D S19 Ag19 110.96(16) . . ?
C03D S19 Ag20 105.60(16) . . ?
Ag23 S13 Ag21 78.41(4) . . ?
C026 S13 Ag23 106.58(16) . . ?
C026 S13 Ag21 106.95(15) . . ?
Ag12 S6 Ag22 77.88(4) . . ?
Ag12 S6 Ag15 88.58(4) . . ?
Ag22 S6 Ag15 142.97(5) . . ?
C01X S6 Ag12 103.91(15) . . ?
C01X S6 Ag22 114.00(15) . . ?
C01X S6 Ag15 102.62(15) . . ?
Ag21 S15 Ag22 78.44(4) . . ?
C032 S15 Ag22 108.32(16) . . ?
C032 S15 Ag21 107.50(16) . . ?
Ag25 S22 Ag26 80.15(4) . . ?
C03J S22 Ag26 109.43(17) . . ?
C03J S22 Ag25 102.32(16) . . ?
Ag9 S8 Ag27 77.48(4) . . ?
Ag9 S8 Ag17 86.44(4) . . ?
Ag27 S8 Ag17 137.87(6) . . ?
C03G S8 Ag9 106.37(15) . . ?
C03G S8 Ag27 119.24(16) . . ?
C03G S8 Ag17 102.56(16) . . ?
Ag20 S21 Ag18 77.55(4) . . ?
C02L S21 Ag18 105.66(15) . . ?
C02L S21 Ag20 108.95(16) . . ?
Ag25 S23 Ag24 78.47(4) . . ?
C02Y S23 Ag24 104.12(16) . . ?
C02Y S23 Ag25 109.16(16) . . ?
Ag27 S18 Ag28 77.51(4) . . ?
C03A S18 Ag28 107.76(16) . . ?
C03A S18 Ag27 108.92(16) . . ?
Ag29 S17 Ag27 75.87(4) . . ?
C037 S17 Ag29 105.65(16) . . ?
C037 S17 Ag27 107.90(17) . . ?
C03U P4 Ag14 113.79(17) . . ?
C03U P4 C04I 104.3(2) . . ?
C03U P4 C050 103.3(3) . . ?
C04I P4 Ag14 113.15(19) . . ?
C050 P4 Ag14 117.42(18) . . ?
C050 P4 C04I 103.4(2) . . ?
C04F P2 Ag15 117.89(17) . . ?
C04F P2 C04T 102.6(2) . . ?
C04F P2 C04W 101.5(2) . . ?
C04T P2 Ag15 116.69(18) . . ?
C04W P2 Ag15 112.87(18) . . ?
C04W P2 C04T 103.1(2) . . ?
C03N P1 Ag16 114.69(19) . . ?
C043 P1 Ag16 113.89(19) . . ?
C043 P1 C03N 102.6(3) . . ?
C046 P1 Ag16 114.8(2) . . ?
C046 P1 C03N 103.0(2) . . ?
C046 P1 C043 106.5(3) . . ?
C04C P3 Ag17 113.41(18) . . ?
C04C P3 C04L 103.7(3) . . ?
C04C P3 C04S 103.5(3) . . ?
C04L P3 Ag17 115.71(18) . . ?
C04L P3 C04S 103.1(2) . . ?
C04S P3 Ag17 115.84(18) . . ?
O01P Na1 O02P 75.39(14) . . ?
O01P Na1 Na2 46.31(10) . . ?
O01R Na1 O01P 80.66(15) . . ?
O01R Na1 O02P 76.41(15) . . ?
O01R Na1 Na2 45.88(11) . . ?
O02I Na1 O01P 99.80(18) . . ?
O02I Na1 O01R 86.89(16) . . ?
O02I Na1 O02P 163.12(18) . . ?
O02I Na1 O03F 89.8(2) . . ?
O02I Na1 Na2 118.44(15) . . ?
O02P Na1 Na2 46.83(11) . . ?
O03F Na1 O01P 169.40(19) . . ?
O03F Na1 O01R 95.42(17) . . ?
O03F Na1 O02P 94.15(19) . . ?
O03F Na1 Na2 124.66(15) . . ?
O03Y Na1 O01P 85.78(18) . . ?
O03Y Na1 O01R 166.3(2) . . ?
O03Y Na1 O02I 97.1(2) . . ?
O03Y Na1 O02P 98.67(19) . . ?
O03Y Na1 O03F 97.7(2) . . ?
O03Y Na1 Na2 121.84(17) . . ?
O01S Na3 O01T 81.70(16) . . ?
O01S Na3 O045 79.32(15) . . ?
O01S Na3 C05O 21.34(16) . . ?
O01S Na3 Na2 46.52(12) . . ?
O01T Na3 O045 74.51(16) . . ?
O01T Na3 C05O 98.47(18) . . ?
O01T Na3 Na2 48.36(11) . . ?
O02S Na3 O01S 89.6(2) . . ?
O02S Na3 O01T 166.1(2) . . ?
O02S Na3 O045 93.4(2) . . ?
O02S Na3 C05O 75.87(19) . . ?
O02S Na3 Na2 118.15(18) . . ?
O03H Na3 O01S 176.0(2) . . ?
O03H Na3 O01T 94.5(2) . . ?
O03H Na3 O02S 93.8(2) . . ?
O03H Na3 O03K 96.2(2) . . ?
O03H Na3 O045 98.3(2) . . ?
O03H Na3 C05O 162.5(2) . . ?
O03H Na3 Na2 129.59(18) . . ?
O03K Na3 O01S 86.2(2) . . ?
O03K Na3 O01T 102.4(2) . . ?
O03K Na3 O02S 87.7(2) . . ?
O03K Na3 O045 165.4(2) . . ?
O03K Na3 C05O 69.7(2) . . ?
O03K Na3 Na2 121.21(19) . . ?
O045 Na3 C05O 96.45(17) . . ?
O045 Na3 Na2 46.18(11) . . ?
C05O Na3 Na2 67.86(14) . . ?
C04X O01P Na1 151.1(4) . . ?
C04X O01P Na2 125.3(4) . . ?
Na2 O01P Na1 83.22(14) . . ?
C063 O01Q C05N 113.2(5) . . ?
C05S O01R Na1 126.6(4) . . ?
C05S O01R Na2 128.6(4) . . ?
Na2 O01R Na1 86.92(14) . . ?
C05O O01S Na3 113.0(4) . . ?
C05O O01S Na2 162.4(4) . . ?
Na2 O01S Na3 84.56(15) . . ?
C059 O01T Na3 119.0(4) . . ?
C059 O01T Na2 134.4(4) . . ?
Na2 O01T Na3 81.58(14) . . ?
C021 C01U C01V 122.4(4) . . ?
C01U C01V S1 120.5(4) . . ?
C02O C01V S1 120.6(4) . . ?
C02O C01V C01U 118.7(4) . . ?
C022 C01W S14 123.2(4) . . ?
C025 C01W S14 118.5(4) . . ?
C025 C01W C022 118.3(5) . . ?
C02E C01X S6 120.2(4) . . ?
C02E C01X C02R 119.2(5) . . ?
C02R C01X S6 120.4(4) . . ?
C028 C01Y C023 121.1(4) . . ?
C024 C01Z C02L 119.8(4) . . ?
C028 C020 C02U 119.2(5) . . ?
C01U C021 S20 122.2(4) . . ?
C01U C021 C02G 118.1(4) . . ?
C02G C021 S20 119.6(4) . . ?
C02H C022 C01W 121.1(4) . . ?
C01Y C023 S16 122.9(4) . . ?
C01Y C023 C02J 117.9(4) . . ?
C02J C023 S16 119.1(4) . . ?
C01Z C024 S10 120.6(4) . . ?
C039 C024 S10 119.0(4) . . ?
C039 C024 C01Z 120.1(4) . . ?
C031 C025 C01W 119.8(5) . . ?
C029 C026 S13 122.9(4) . . ?
C029 C026 C034 118.4(5) . . ?
C034 C026 S13 118.6(4) . . ?
C03A C027 C02F 121.4(5) . . ?
C01Y C028 S11 120.5(3) . . ?
C01Y C028 C020 120.3(4) . . ?
C020 C028 S11 118.9(4) . . ?
C02V C029 C026 121.1(4) . . ?
C033 C02A C03J 122.0(4) . . ?
C037 C02B C02K 121.0(4) . . ?
C02D C02C S24 122.4(4) . . ?
C02D C02C C03X 118.7(5) . . ?
C03X C02C S24 119.0(4) . . ?
C02C C02D C03G 121.4(4) . . ?
C01X C02E C02Y 121.4(4) . . ?
C027 C02F S2 120.4(4) . . ?
C02Q C02F S2 120.2(4) . . ?
C02Q C02F C027 119.0(4) . . ?
C038 C02G C021 119.9(5) . . ?
C022 C02H S9 121.6(4) . . ?
C022 C02H C02N 119.8(4) . . ?
C02N C02H S9 118.2(4) . . ?
C067 O02I Na1 132.7(4) . . ?
C02U C02J C023 120.6(5) . . ?
C02B C02K S7 120.1(4) . . ?
C03R C02K S7 119.9(4) . . ?
C03R C02K C02B 119.7(5) . . ?
C01Z C02L S21 121.2(4) . . ?
C02T C02L S21 118.8(4) . . ?
C02T C02L C01Z 120.0(4) . . ?
C02W C02M C032 121.2(4) . . ?
C031 C02N C02H 119.1(5) . . ?
C038 C02O C01V 119.5(5) . . ?
C05X O02P Na1 149.7(5) . . ?
C05X O02P Na2 127.2(5) . . ?
Na2 O02P Na1 82.49(15) . . ?
C042 C02Q C02F 119.9(5) . . ?
C03S C02R C01X 119.6(5) . . ?
C05V O02S Na3 127.0(5) . . ?
C02L C02T C047 119.6(5) . . ?
C02J C02U C020 120.9(5) . . ?
C029 C02V S12 120.9(3) . . ?
C03I C02V S12 118.9(4) . . ?
C03I C02V C029 119.8(4) . . ?
C02M C02W S4 120.3(4) . . ?
C03V C02W S4 119.5(4) . . ?
C03V C02W C02M 119.9(4) . . ?
C03M C02X C03D 121.7(4) . . ?
C02E C02Y S23 122.1(4) . . ?
C03O C02Y S23 119.3(4) . . ?
C03O C02Y C02E 118.6(5) . . ?
C055 N02Z C05R 116.1(5) . . ?
C059 N02Z C055 120.6(5) . . ?
C059 N02Z C05R 121.9(5) . . ?
C05C N030 C060 116.4(5) . . ?
C067 N030 C05C 121.0(5) . . ?
C067 N030 C060 122.5(5) . . ?
C02N C031 C025 121.7(5) . . ?
C02M C032 S15 122.3(4) . . ?
C02M C032 C04B 118.5(4) . . ?
C04B C032 S15 119.1(4) . . ?
C02A C033 S3 120.1(3) . . ?
C02A C033 C03P 119.3(4) . . ?
C03P C033 S3 120.5(4) . . ?
C04E C034 C026 120.4(5) . . ?
C05S N035 C07A 120.7(5) . . ?
C05S N035 C07G 122.0(5) . . ?
C07A N035 C07G 117.2(5) . . ?
C05E N036 C05K 122.0(5) . . ?
C05E N036 C07L 120.8(6) . . ?
C07L N036 C05K 117.2(6) . . ?
C02B C037 S17 121.9(4) . . ?
C02B C037 C04A 118.4(5) . . ?
C04A C037 S17 119.7(4) . . ?
C02G C038 C02O 121.4(5) . . ?
C024 C039 C047 119.6(5) . . ?
C027 C03A S18 122.0(4) . . ?
C03Z C03A S18 119.3(4) . . ?
C03Z C03A C027 118.6(5) . . ?
C04X N03B C05H 122.1(6) . . ?
C04X N03B C06Y 120.6(5) . . ?
C05H N03B C06Y 117.2(5) . . ?
C071 N03C C064 120.7(5) . . ?
C071 N03C C079 123.3(6) . . ?
C079 N03C C064 116.0(6) . . ?
C02X C03D S19 122.2(4) . . ?
C02X C03D C03T 118.3(5) . . ?
C03T C03D S19 119.5(4) . . ?
C05O N03E C062 122.4(6) . . ?
C05O N03E C06C 121.1(5) . . ?
C062 N03E C06C 116.5(5) . . ?
C07D O03F Na1 159.6(5) . . ?
C02D C03G S8 120.6(4) . . ?
C04O C03G S8 119.1(4) . . ?
C04O C03G C02D 120.0(5) . . ?
C05T O03H Na3 131.0(6) . . ?
C02V C03I C04E 119.4(5) . . ?
C02A C03J S22 122.2(4) . . ?
C02A C03J C03Q 118.2(4) . . ?
C03Q C03J S22 119.6(4) . . ?
C06E O03K Na3 162.7(6) . . ?
C046 C03L C04N 120.8(6) . . ?
C02X C03M S5 120.5(3) . . ?
C02X C03M C049 119.1(4) . . ?
C049 C03M S5 120.0(4) . . ?
C04Y C03N P1 116.2(5) . . ?
C05B C03N P1 123.5(5) . . ?
C05B C03N C04Y 120.3(6) . . ?
C02Y C03O C03S 119.7(5) . . ?
C033 C03P C03W 119.1(5) . . ?
C03W C03Q C03J 119.9(5) . . ?
C02K C03R C04M 119.0(5) . . ?
C02R C03S C03O 121.4(5) . . ?
C04D C03T C03D 120.1(5) . . ?
C04Z C03U P4 117.8(4) . . ?
C04Z C03U C056 118.9(5) . . ?
C056 C03U P4 123.3(4) . . ?
C041 C03V C02W 119.4(4) . . ?
C03Q C03W C03P 121.5(4) . . ?
C04R C03X C02C 119.8(5) . . ?
C05E O03Y Na1 176.9(5) . . ?
C042 C03Z C03A 120.2(5) . . ?
C05P N040 C076 117.3(6) . . ?
C05V N040 C05P 122.7(7) . . ?
C05V N040 C076 120.0(7) . . ?
C03V C041 C04B 121.4(5) . . ?
C02Q C042 C03Z 120.8(5) . . ?
C058 C043 P1 124.7(4) . . ?
C05A C043 P1 115.7(5) . . ?
C05A C043 C058 119.5(5) . . ?
C073 N044 C074 122.8(7) . . ?
C073 N044 C07I 120.4(7) . . ?
C074 N044 C07I 116.7(7) . . ?
C071 O045 Na3 116.6(4) . . ?
C071 O045 Na2 161.3(5) . . ?
Na2 O045 Na3 82.12(15) . . ?
C03L C046 P1 118.2(5) . . ?
C03L C046 C05I 118.7(5) . . ?
C05I C046 P1 123.1(4) . . ?
C039 C047 C02T 120.8(5) . . ?
C04P C048 C04W 120.2(5) . . ?
C04D C049 C03M 119.4(5) . . ?
C04M C04A C037 120.6(5) . . ?
C041 C04B C032 119.5(5) . . ?
C04V C04C P3 124.3(5) . . ?
C04V C04C C065 118.3(6) . . ?
C065 C04C P3 117.4(4) . . ?
C03T C04D C049 121.4(5) . . ?
C034 C04E C03I 120.9(5) . . ?
C04G C04F P2 118.0(4) . . ?
C04G C04F C06N 117.9(5) . . ?
C06N C04F P2 123.8(5) . . ?
C06G C04G C04F 121.4(6) . . ?
C05X N04H C07B 123.6(7) . . ?
C05X N04H C14 119.7(6) . . ?
C07B N04H C14 116.7(7) . . ?
C05L C04I P4 116.2(4) . . ?
C05U C04I P4 124.5(5) . . ?
C05U C04I C05L 119.2(6) . . ?
C04L C04J C05F 119.7(6) . . ?
C06E N04K C07E 121.7(6) . . ?
C06E N04K C07K 120.0(7) . . ?
C07E N04K C07K 118.0(8) . . ?
C04J C04L P3 117.3(4) . . ?
C04J C04L C05M 119.1(5) . . ?
C05M C04L P3 123.5(4) . . ?
C04A C04M C03R 121.3(5) . . ?
C06B C04N C03L 119.9(6) . . ?
C03G C04O C04R 118.6(5) . . ?
C05G C04P C048 120.7(6) . . ?
C03X C04R C04O 121.5(5) . . ?
C053 C04S P3 117.6(4) . . ?
C053 C04S C05Z 118.9(5) . . ?
C05Z C04S P3 123.5(5) . . ?
C054 C04T P2 119.0(4) . . ?
C054 C04T C06I 118.5(5) . . ?
C06I C04T P2 122.4(4) . . ?
C06Q N04U C07J 116.0(7) . . ?
C07D N04U C06Q 123.4(7) . . ?
C07D N04U C07J 120.6(6) . . ?
C069 C04V C04C 120.9(6) . . ?
C048 C04W P2 117.4(4) . . ?
C051 C04W P2 124.0(4) . . ?
C051 C04W C048 118.5(5) . . ?
O01P C04X N03B 125.7(6) . . ?
C06D C04Y C03N 118.8(7) . . ?
C03U C04Z C06F 120.5(6) . . ?
C057 C050 P4 118.2(4) . . ?
C06L C050 P4 123.0(4) . . ?
C06L C050 C057 118.8(5) . . ?
C04W C051 C06M 121.0(5) . . ?
C05D C052 C053 120.1(6) . . ?
C052 C053 C04S 120.6(6) . . ?
C04T C054 C06Z 120.8(5) . . ?
C070 C056 C03U 120.3(6) . . ?
C06K C057 C050 121.1(6) . . ?
C066 C058 C043 121.0(6) . . ?
O01T C059 N02Z 125.4(5) . . ?
C043 C05A C06A 119.9(7) . . ?
C03N C05B C078 119.6(6) . . ?
C06H C05D C052 120.0(6) . . ?
O03Y C05E N036 126.2(6) . . ?
C068 C05F C04J 120.9(6) . . ?
C04P C05G C06M 120.0(5) . . ?
C06W C05I C046 120.1(6) . . ?
C05T N05J C07H 118.7(8) . . ?
C05T N05J C07M 121.3(11) . . ?
C07M N05J C07H 120.0(10) . . ?
C04I C05L C06O 120.4(6) . . ?
C061 C05M C04L 120.0(6) . . ?
O01Q C05N C072 109.4(6) . . ?
O01S C05O Na3 45.6(3) . . ?
O01S C05O N03E 125.6(6) . . ?
N03E C05O Na3 158.6(5) . . ?
C05W C05Q C06O 119.7(6) . . ?
O01R C05S N035 125.2(5) . . ?
O03H C05T N05J 128.0(8) . . ?
C04I C05U C05W 119.0(7) . . ?
O02S C05V N040 124.5(8) . . ?
C05Q C05W C05U 121.5(6) . . ?
O02P C05X N04H 127.8(7) . . ?
C06A C05Y C066 120.5(6) . . ?
C04S C05Z C06H 119.5(6) . . ?
C068 C061 C05M 120.8(6) . . ?
O01Q C063 C07F 109.8(7) . . ?
C06U C065 C04C 121.0(6) . . ?
C05Y C066 C058 119.2(6) . . ?
O02I C067 N030 125.5(6) . . ?
C061 C068 C05F 119.5(6) . . ?
C04V C069 C06S 120.5(7) . . ?
C05Y C06A C05A 119.9(7) . . ?
C04N C06B C06W 120.0(6) . . ?
C04Y C06D C06P 121.3(7) . . ?
O03K C06E N04K 126.4(8) . . ?
C075 C06F C04Z 120.0(6) . . ?
C04G C06G C06J 119.6(6) . . ?
C05D C06H C05Z 120.9(6) . . ?
C06R C06I C04T 120.0(5) . . ?
C06V C06J C06G 119.9(6) . . ?
C077 C06K C057 120.2(6) . . ?
C050 C06L C07C 120.7(6) . . ?
C05G C06M C051 119.5(6) . . ?
C06V C06N C04F 120.5(6) . . ?
C05Q C06O C05L 120.1(7) . . ?
C078 C06P C06D 119.3(6) . . ?
C06X C06R C06I 120.6(6) . . ?
C069 C06S C06U 119.3(7) . . ?
C07O N06T C15 116.7(9) . . ?
C07P N06T C07O 117.4(8) . . ?
C07P N06T C15 125.8(10) . . ?
C065 C06U C06S 119.9(7) . . ?
C06J C06V C06N 120.6(6) . . ?
C06B C06W C05I 120.5(7) . . ?
C06R C06X C06Z 119.5(6) . . ?
C06X C06Z C054 120.5(6) . . ?
C056 C070 C075 120.1(6) . . ?
O045 C071 N03C 124.5(6) . . ?
O04Q C073 N044 125.6(8) . . ?
C06F C075 C070 120.1(6) . . ?
C06K C077 C07C 119.1(6) . . ?
C06P C078 C05B 120.7(7) . . ?
C06L C07C C077 120.1(7) . . ?
O03F C07D N04U 126.9(7) . . ?
O07N C07P N06T 120.8(12) . . ?
Na3 Na2 Na1 167.27(9) . . ?
O01P Na2 Na1 50.47(11) . . ?
O01P Na2 Na3 121.51(14) . . ?
O01P Na2 O01T 90.94(16) . . ?
O01P Na2 O02P 81.14(16) . . ?
O01R Na2 Na1 47.20(11) . . ?
O01R Na2 Na3 128.02(13) . . ?
O01R Na2 O01P 85.12(15) . . ?
O01R Na2 O01T 173.07(18) . . ?
O01R Na2 O02P 80.27(16) . . ?
O01S Na2 Na1 118.81(13) . . ?
O01S Na2 Na3 48.93(12) . . ?
O01S Na2 O01P 93.80(16) . . ?
O01S Na2 O01R 89.63(16) . . ?
O01S Na2 O01T 84.94(17) . . ?
O01S Na2 O02P 169.01(18) . . ?
O01T Na2 Na1 132.81(13) . . ?
O01T Na2 Na3 50.06(12) . . ?
O02P Na2 Na1 50.68(12) . . ?
O02P Na2 Na3 141.78(14) . . ?
O02P Na2 O01T 104.80(17) . . ?
O045 Na2 Na1 137.58(15) . . ?
O045 Na2 Na3 51.70(14) . . ?
O045 Na2 O01P 170.43(18) . . ?
O045 Na2 O01R 104.41(17) . . ?
O045 Na2 O01S 85.52(18) . . ?
O045 Na2 O01T 79.49(16) . . ?
O045 Na2 O02P 101.09(18) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_exptl_crystal_preparation       Luminescent
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_1
_audit_block_doi                 10.5517/ccdc.csd.cc234xx3
_database_code_depnum_ccdc_archive 'CCDC 1941155'
loop_
_audit_author_name
_audit_author_address
'shuxin wang'
;Anhui University
China
;
_audit_update_record             
;
2019-07-17 deposited with the CCDC.	2020-04-21 downloaded from the CCDC.
;
_audit_creation_date             2019-07-17
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2016/4
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '1(C144 H108 Ag29 P4 S24), 3(C25 H45 N5 Na O5)'
_chemical_formula_sum            'C219 H243 Ag29 N15 Na3 O15 P4 S24'
_chemical_formula_weight         7415.86
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.1353 0.1239 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      trigonal
_space_group_IT_number           148
_space_group_name_H-M_alt        'R -3'
_space_group_name_Hall           '-R 3'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'

_cell_length_a                   26.7522(10)
_cell_length_b                   26.7522(10)
_cell_length_c                   59.424(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     36831(3)
_cell_formula_units_Z            5.99994
_cell_measurement_reflns_used    10190
_cell_measurement_temperature    120
_cell_measurement_theta_max      70.59
_cell_measurement_theta_min      3.51
_shelx_estimated_absorpt_T_max   0.819
_shelx_estimated_absorpt_T_min   0.231
_exptl_absorpt_coefficient_mu    20.739
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.1919
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
STOE LANA, absorption correction by scaling of reflection intensities.
J. Koziskova, F. Hahn, J. Richter, J. Kozisek, "Comparison of different
absorption corrections on the model structure of tetrakis(μ₂-acetato)-
diaqua-di-copper(II)", Acta Chimica Slovaca, vol. 9, no. 2, 2016, pp. 136 - 140.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'dark red'
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    2.006
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             21732
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.01
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0564
_diffrn_reflns_av_unetI/netI     0.0714
_diffrn_reflns_Laue_measured_fraction_full 0.971
_diffrn_reflns_Laue_measured_fraction_max 0.950
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       53
_diffrn_reflns_limit_l_min       -71
_diffrn_reflns_number            35038
_diffrn_reflns_point_group_measured_fraction_full 0.971
_diffrn_reflns_point_group_measured_fraction_max 0.950
_diffrn_reflns_theta_full        67.686
_diffrn_reflns_theta_max         70.170
_diffrn_reflns_theta_min         3.304
_diffrn_ambient_temperature      120
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.971
_diffrn_measured_fraction_theta_max 0.950
_diffrn_measurement_device_type  'STOE STADIVARI'
_diffrn_measurement_method       ?
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54186
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                9592
_reflns_number_total             14834
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         3.372
_refine_diff_density_min         -1.934
_refine_diff_density_rms         0.272
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     771
_refine_ls_number_reflns         14834
_refine_ls_number_restraints     233
_refine_ls_R_factor_all          0.1260
_refine_ls_R_factor_gt           0.0716
_refine_ls_restrained_S_all      1.043
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0733P)²+3621.1533P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1670
_refine_ls_wR_factor_ref         0.2067
_refine_special_details          SQUEEZE
_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. Restrained distances
 Na1-O10
 2.25 with sigma of 0.1
 O10-C30
 1.25 with sigma of 0.01
 C30-C83
 1.45 with sigma of 0.01
 C2AA-C60
 1.45 with sigma of 0.01
 C60-N7AA
 1.45 with sigma of 0.01
 N7AA-C1AA
 1.45 with sigma of 0.01
 C30-C1AA
 2.5 with sigma of 0.1
 O10-C83
 2.5 with sigma of 0.1
 C60-C30
 2.5 with sigma of 0.02
 C30-C2AA
 2.5 with sigma of 0.02
 N7AA-C30
 1.36 with sigma of 0.02
 Na1-C30
 3.31 with sigma of 0.01
 C12-C11
 1.461 with sigma of 0.001
 C7-C12
 1.461 with sigma of 0.001
 C7-C0AA
 1.461 with sigma of 0.001
 C25-C22
 1.461 with sigma of 0.001
 C22-C17
 1.461 with sigma of 0.001
 C6-C25
 1.461 with sigma of 0.001
 C83-C30
 1.461 with sigma of 0.001
 C83-C2AA
 1.461 with sigma of 0.001
 C60-C2AA
 1.461 with sigma of 0.001
 C5AA-C20
 1.461 with sigma of 0.001
 C6AA-C20
 1.461 with sigma of 0.001
 C6AA-C3AA
 1.461 with sigma of 0.001
 C18-C10
 1.461 with sigma of 0.001
 C16-C10
 1.461 with sigma of 0.001
 C8-C16
 1.461 with sigma of 0.001
3. Restrained planarity
 O10, C30, N7AA, C83
 with sigma of 0.1
4. Rigid bond restraints
 O1, C0AA
 with sigma for 1-2 distances of 0.0001 and sigma for 1-3 distances of 0.0002
5. Uiso/Uaniso restraints and constraints
C00V \\sim C011 \\sim C00P \\sim C00O \\sim C00Q \\sim C016: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02
C24 \\sim N0AA \\sim C8 \\sim C16 \\sim C10 \\sim C18 \\sim O4: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02
O0AA \\sim C6 \\sim C25 \\sim C22 \\sim C17 \\sim N3 \\sim C9: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02
C4AA \\sim N2AA \\sim O2 \\sim C5AA \\sim C20 \\sim C6AA \\sim C3AA: within 2A
with sigma of 0.01 and sigma for terminal atoms of 0.02
C018 \\sim C022 \\sim C3 \\sim C01S \\sim C01Q \\sim C01C \\sim P00J: within 2A
with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(Na1) = Uanis(O10) = Uanis(C30) = Uanis(N7AA) = Uanis(C1AA) = Uanis(C83) =
Uanis(C2AA) = Uanis(C60)
Uanis(O1) = Uanis(Na1) = Uanis(O10) = Uanis(O4) = Uanis(O2) = Uanis(O0AA)
6.a Secondary CH2 refined with riding coordinates:
 C7(H7A,H7B), C11(H11A,H11B), C12(H12A,H12B), C17(H17A,H17B), C22(H22A,H22B),
 C25(H25A,H25B), C3AA(H3AA,H3AB), C10(H10A,H10B), C6AA(H6AA,H6AB), C16(H16A,
 H16B), C18(H18A,H18B), C20(H20A,H20B), C2AA(H2AA,H2AB), C60(H60A,H60B),
 C83(H83A,H83B)
6.b Aromatic/amide H refined with riding coordinates:
 C00S(H00S), C00R(H00R), C017(H017), C00U(H00U), C00T(H00T), C01D(H01D),
 C010(H010), C013(H013), C00P(H00P), C00Q(H00Q), C016(H016), C00V(H00V),
 C014(H014), C01L(H01L), C01F(H01F), C01J(H01J), C01M(H01M), C01K(H01K),
 C01B(H01B), C01G(H01G), C01A(H01A), C022(H022), C3(H3), C01S(H01S), C01Q(H01Q),
  C01C(H01C), C01H(H01H), C01Y(H01Y), C026(H026), C021(H021), C01Z(H01Z),
 C01V(H01V), C01N(H01N), C4(H4), C5(H5), C01X(H01X)
6.c Fitted hexagon refined as free rotating group:
 C00S(C00X,C00R,C017,C00U,C00N), C00Z(C00T,C00Y,C01D,C010,C013), C011(C00P,
 C00O,C00Q,C016,C00V), C014(C012,C01L,C01F,C01J,C00W), C015(C01M,C01K,C01B,C01G,
 C01A), C018(C022,C3,C01S,C01Q,C01C), C01E(C01H,C01Y,C026,C021,C01Z), C01I(C01V,
 C01N,C4,C5,C01X)
6.d Idealised Me refined as rotating group:
 C31(H31A,H31B,H31C), C9(H9A,H9B,H9C), C4AA(H4AA,H4AB,H4AC), C24(H24A,H24B,
 H24C), C1AA(H1AA,H1AB,H1AC)
;
_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
Ag01 Ag 0.666667 0.333333 0.58147(3) 0.0195(3) Uani 1 3 d S T P . .
Ag02 Ag 0.58422(4) 0.36416(4) 0.57327(2) 0.0268(2) Uani 1 1 d . . . . .
Ag03 Ag 0.73809(4) 0.38496(4) 0.61779(2) 0.0250(2) Uani 1 1 d . . . . .
Ag04 Ag 0.75255(4) 0.30596(4) 0.59061(2) 0.0258(2) Uani 1 1 d . . . . .
Ag05 Ag 0.59875(4) 0.28175(4) 0.54375(2) 0.0279(2) Uani 1 1 d . . . . .
Ag06 Ag 0.57451(5) 0.14058(4) 0.63621(2) 0.0304(3) Uani 1 1 d . . . . .
Ag07 Ag 0.666667 0.333333 0.67022(4) 0.0356(5) Uani 1 3 d S T P . .
Ag08 Ag 0.56524(5) 0.09210(5) 0.58817(2) 0.0324(3) Uani 1 1 d . . . . .
Ag09 Ag 0.47091(5) 0.11858(5) 0.60352(2) 0.0309(3) Uani 1 1 d . . . . .
Ag0A Ag 0.59064(5) 0.28103(5) 0.48900(2) 0.0376(3) Uani 1 1 d . . . . .
Ag0B Ag 0.45182(5) 0.24692(5) 0.54906(2) 0.0345(3) Uani 1 1 d . . . . .
S00C S 0.58133(15) 0.34928(15) 0.65687(6) 0.0284(7) Uani 1 1 d . . . . .
S00D S 0.80606(15) 0.25304(15) 0.58627(6) 0.0281(7) Uani 1 1 d . . . . .
S00E S 0.46345(16) 0.04608(15) 0.57596(7) 0.0319(8) Uani 1 1 d . . . . .
S00F S 0.47268(15) 0.11373(15) 0.64470(6) 0.0288(8) Uani 1 1 d . . . . .
P00G P 0.666667 0.333333 0.71312(14) 0.0391(17) Uani 1 3 d S T P . .
S00H S 0.49650(16) 0.35708(16) 0.55747(7) 0.0326(8) Uani 1 1 d . . . . .
S00I S 0.60690(17) 0.07398(15) 0.62293(7) 0.0321(8) Uani 1 1 d . . . . .
P00J P 0.35641(17) 0.21313(17) 0.53083(7) 0.0316(8) Uani 1 1 d . U . . .
S00K S 0.51384(16) 0.22996(16) 0.51967(6) 0.0311(8) Uani 1 1 d . . . . .
S00L S 0.59193(19) 0.3673(2) 0.47386(7) 0.0424(10) Uani 1 1 d . . . . .
C00S C 0.7120(4) 0.1638(4) 0.60767(18) 0.034(3) Uani 1 1 d . . . . .
H00S H 0.691217 0.182341 0.603160 0.040 Uiso 1 1 calc R . . . .
C00X C 0.6835(3) 0.1106(4) 0.61838(18) 0.033(3) Uani 1 1 d G . . . .
C00R C 0.7140(4) 0.0835(3) 0.62498(18) 0.034(4) Uani 1 1 d G . . . .
H00R H 0.694538 0.047059 0.632305 0.041 Uiso 1 1 calc R . . . .
C017 C 0.7729(4) 0.1097(4) 0.62085(18) 0.037(4) Uani 1 1 d G . . . .
H017 H 0.793754 0.091180 0.625361 0.044 Uiso 1 1 calc R . . . .
C00U C 0.8014(3) 0.1630(4) 0.61014(17) 0.029(3) Uani 1 1 d G . . . .
H00U H 0.841703 0.180882 0.607317 0.034 Uiso 1 1 calc R . . . .
C00N C 0.7710(4) 0.1900(3) 0.60354(16) 0.029(3) Uani 1 1 d G . . . .
C00Z C 0.4843(4) 0.1543(3) 0.52434(16) 0.028(3) Uani 1 1 d . . . . .
C00T C 0.4898(4) 0.1331(3) 0.54501(14) 0.029(3) Uani 1 1 d G . . . .
H00T H 0.514548 0.159012 0.556205 0.035 Uiso 1 1 calc R . . . .
C00Y C 0.4590(4) 0.0742(4) 0.54930(13) 0.029(3) Uani 1 1 d G . . . .
C01D C 0.4227(4) 0.0363(3) 0.53292(17) 0.046(5) Uani 1 1 d G . . . .
H01D H 0.401627 -0.003959 0.535848 0.055 Uiso 1 1 calc R . . . .
C010 C 0.4172(5) 0.0574(4) 0.51225(16) 0.048(5) Uani 1 1 d G . . . .
H010 H 0.392387 0.031582 0.501051 0.058 Uiso 1 1 calc R . . . .
C013 C 0.4480(5) 0.1164(4) 0.50796(13) 0.040(4) Uani 1 1 d G . . . .
H013 H 0.444227 0.130838 0.493832 0.048 Uiso 1 1 calc R . . . .
C011 C 0.4704(4) 0.1760(3) 0.65340(17) 0.029(3) Uani 1 1 d . U . . .
C00P C 0.5192(3) 0.2303(4) 0.65132(16) 0.025(3) Uani 1 1 d G U . . .
H00P H 0.554056 0.233913 0.645596 0.030 Uiso 1 1 calc R . . . .
C00O C 0.5171(3) 0.2792(3) 0.65762(17) 0.026(3) Uani 1 1 d G U . . .
C00Q C 0.4662(4) 0.2739(3) 0.66599(17) 0.030(3) Uani 1 1 d G U . . .
H00Q H 0.464714 0.307378 0.670294 0.037 Uiso 1 1 calc R . . . .
C016 C 0.4173(3) 0.2197(4) 0.66807(18) 0.032(3) Uani 1 1 d G U . . .
H016 H 0.382517 0.216048 0.673793 0.038 Uiso 1 1 calc R . . . .
C00V C 0.4195(3) 0.1707(3) 0.66177(18) 0.032(3) Uani 1 1 d G U . . .
H00V H 0.386088 0.133650 0.663193 0.038 Uiso 1 1 calc R . . . .
C014 C 0.5468(4) 0.3712(4) 0.51567(16) 0.033(3) Uani 1 1 d . . . . .
H014 H 0.563730 0.349941 0.521400 0.039 Uiso 1 1 calc R . . . .
C012 C 0.5542(4) 0.3877(5) 0.49319(15) 0.037(4) Uani 1 1 d G . . . .
C01L C 0.5295(5) 0.4189(5) 0.48480(14) 0.047(5) Uani 1 1 d G . . . .
H01L H 0.534525 0.430161 0.469439 0.056 Uiso 1 1 calc R . . . .
C01F C 0.4973(5) 0.4335(5) 0.49890(19) 0.052(5) Uani 1 1 d G . . . .
H01F H 0.480345 0.454735 0.493175 0.063 Uiso 1 1 calc R . . . .
C01J C 0.4899(5) 0.4169(5) 0.52139(18) 0.048(5) Uani 1 1 d G . . . .
H01J H 0.467857 0.426913 0.531024 0.057 Uiso 1 1 calc R . . . .
C00W C 0.5146(4) 0.3858(5) 0.52977(13) 0.033(4) Uani 1 1 d G . . . .
C015 C 0.3607(4) 0.2201(4) 0.50012(13) 0.028(3) Uani 1 1 d . . . . .
C01M C 0.3189(4) 0.1793(4) 0.48591(18) 0.043(4) Uani 1 1 d G . . . .
H01M H 0.287124 0.145589 0.492023 0.052 Uiso 1 1 calc R . . . .
C01K C 0.3237(5) 0.1879(5) 0.46276(16) 0.050(5) Uani 1 1 d G . . . .
H01K H 0.295153 0.160047 0.453053 0.060 Uiso 1 1 calc R . . . .
C01B C 0.3702(6) 0.2373(5) 0.45382(13) 0.052(5) Uani 1 1 d G . . . .
H01B H 0.373460 0.243174 0.437998 0.062 Uiso 1 1 calc R . . . .
C01G C 0.4119(5) 0.2781(4) 0.46803(17) 0.056(5) Uani 1 1 d G . . . .
H01G H 0.443738 0.311844 0.461915 0.067 Uiso 1 1 calc R . . . .
C01A C 0.4072(4) 0.2695(4) 0.49118(16) 0.047(4) Uani 1 1 d G . . . .
H01A H 0.435710 0.297387 0.500886 0.056 Uiso 1 1 calc R . . . .
C018 C 0.3019(5) 0.1371(4) 0.5352(2) 0.044(3) Uani 1 1 d . U . . .
C022 C 0.2431(5) 0.1169(5) 0.5377(3) 0.066(4) Uani 1 1 d G U . . .
H022 H 0.229216 0.143373 0.537960 0.079 Uiso 1 1 calc R . . . .
C3 C 0.2048(4) 0.0581(6) 0.5398(3) 0.078(5) Uani 1 1 d G U . . .
H3 H 0.164678 0.044269 0.541447 0.094 Uiso 1 1 calc R . . . .
C01S C 0.2252(5) 0.0194(4) 0.5394(3) 0.075(5) Uani 1 1 d G U . . .
H01S H 0.198983 -0.020834 0.540768 0.090 Uiso 1 1 calc R . . . .
C01Q C 0.2839(6) 0.0396(5) 0.5369(3) 0.068(4) Uani 1 1 d G U . . .
H01Q H 0.297826 0.013166 0.536602 0.082 Uiso 1 1 calc R . . . .
C01C C 0.3222(4) 0.0985(5) 0.5348(2) 0.051(4) Uani 1 1 d G U . . .
H01C H 0.362365 0.112271 0.533115 0.062 Uiso 1 1 calc R . . . .
C01E C 0.3197(5) 0.2517(5) 0.53946(18) 0.036(4) Uani 1 1 d . . . . .
C01H C 0.2884(6) 0.2655(6) 0.52450(15) 0.048(5) Uani 1 1 d G . . . .
H01H H 0.288565 0.257817 0.508894 0.058 Uiso 1 1 calc R . . . .
C01Y C 0.2570(6) 0.2904(7) 0.5324(2) 0.066(6) Uani 1 1 d G . . . .
H01Y H 0.235653 0.299803 0.522149 0.079 Uiso 1 1 calc R . . . .
C026 C 0.2568(6) 0.3016(7) 0.5552(2) 0.066(6) Uani 1 1 d G . . . .
H026 H 0.235339 0.318623 0.560589 0.079 Uiso 1 1 calc R . . . .
C021 C 0.2881(7) 0.2878(7) 0.57017(16) 0.079(8) Uani 1 1 d G . . . .
H021 H 0.287936 0.295459 0.585774 0.095 Uiso 1 1 calc R . . . .
C01Z C 0.3195(6) 0.2629(6) 0.56229(17) 0.055(5) Uani 1 1 d G . . . .
H01Z H 0.340848 0.253473 0.572518 0.066 Uiso 1 1 calc R . . . .
C01I C 0.5971(5) 0.2825(6) 0.7259(2) 0.059(6) Uani 1 1 d . . . . .
C01V C 0.5479(6) 0.2722(7) 0.7141(2) 0.076(7) Uani 1 1 d G . . . .
H01V H 0.551429 0.291736 0.700376 0.091 Uiso 1 1 calc R . . . .
C01N C 0.4936(5) 0.2333(8) 0.7226(3) 0.072(7) Uani 1 1 d G . . . .
H01N H 0.459971 0.226266 0.714524 0.086 Uiso 1 1 calc R . . . .
C4 C 0.4885(6) 0.2047(9) 0.7427(3) 0.113(12) Uani 1 1 d G . . . .
H4 H 0.451326 0.178142 0.748442 0.136 Uiso 1 1 calc R . . . .
C5 C 0.5376(8) 0.2150(9) 0.7544(3) 0.137(16) Uani 1 1 d G . . . .
H5 H 0.534139 0.195487 0.768211 0.164 Uiso 1 1 calc R . . . .
C01X C 0.5920(6) 0.2539(9) 0.7460(2) 0.094(9) Uani 1 1 d G . . . .
H01X H 0.625597 0.260958 0.754064 0.113 Uiso 1 1 calc R . . . .
Na1 Na 0.2122(6) -0.2023(7) 0.6112(3) 0.135(2) Uani 1 1 d D . . . .
O1 O 0.2708(12) -0.1051(11) 0.6071(4) 0.135(2) Uani 1 1 d . U . . .
C0AA C 0.2844(10) -0.0526(10) 0.6072(3) 0.083(6) Uani 1 1 d D U . . .
C7 C 0.3056(9) -0.0126(6) 0.5882(3) 0.059(5) Uani 1 1 d D . . . .
H7A H 0.345058 -0.003507 0.583940 0.071 Uiso 1 1 calc R . . . .
H7B H 0.279913 -0.029252 0.575029 0.071 Uiso 1 1 calc R . . . .
N10 N 0.2798(13) -0.0240(10) 0.6253(4) 0.100(8) Uani 1 1 d . . . . .
C11 C 0.3024(10) 0.0354(11) 0.6207(3) 0.071(7) Uani 1 1 d D . . . .
H11A H 0.341086 0.058829 0.627476 0.085 Uiso 1 1 calc R . . . .
H11B H 0.276547 0.048862 0.626531 0.085 Uiso 1 1 calc R . . . .
C12 C 0.3058(9) 0.0392(6) 0.5961(3) 0.069(7) Uani 1 1 d D . . . .
H12A H 0.272242 0.040826 0.589922 0.083 Uiso 1 1 calc R . . . .
H12B H 0.341552 0.074292 0.591344 0.083 Uiso 1 1 calc R . . . .
C31 C 0.264(3) -0.050(2) 0.6467(7) 0.22(3) Uani 1 1 d . . . . .
H31A H 0.293537 -0.058173 0.652174 0.331 Uiso 1 1 calc GR . . . .
H31B H 0.226829 -0.085404 0.645751 0.331 Uiso 1 1 calc GR . . . .
H31C H 0.260909 -0.022948 0.657183 0.331 Uiso 1 1 calc GR . . . .
N3 N 0.0984(13) -0.1647(12) 0.6226(5) 0.110(5) Uani 1 1 d . U . . .
C6 C 0.1294(14) -0.1498(9) 0.6046(5) 0.114(5) Uani 1 1 d D U . . .
C9 C 0.0689(16) -0.2249(15) 0.6312(5) 0.118(10) Uani 1 1 d . U . . .
H9A H 0.080722 -0.247976 0.622241 0.176 Uiso 1 1 calc GR . . . .
H9B H 0.027025 -0.241424 0.630044 0.176 Uiso 1 1 calc GR . . . .
H9C H 0.079562 -0.224890 0.646971 0.176 Uiso 1 1 calc GR . . . .
C17 C 0.0842(13) -0.1237(11) 0.6276(5) 0.114(6) Uani 1 1 d D U . . .
H17A H 0.085758 -0.116772 0.644064 0.137 Uiso 1 1 calc R . . . .
H17B H 0.045311 -0.134466 0.621957 0.137 Uiso 1 1 calc R . . . .
C22 C 0.1292(13) -0.0735(10) 0.6158(4) 0.125(7) Uani 1 1 d D U . . .
H22A H 0.116951 -0.044819 0.612906 0.149 Uiso 1 1 calc R . . . .
H22B H 0.165432 -0.054980 0.624618 0.149 Uiso 1 1 calc R . . . .
C25 C 0.1374(14) -0.0964(9) 0.5946(4) 0.120(6) Uani 1 1 d D U . . .
H25A H 0.176431 -0.072203 0.588173 0.144 Uiso 1 1 calc R . . . .
H25B H 0.107571 -0.103165 0.583250 0.144 Uiso 1 1 calc R . . . .
N2AA N 0.1292(12) -0.3264(10) 0.5652(4) 0.101(5) Uani 1 1 d . U . . .
N0AA N 0.1503(15) -0.2729(13) 0.6733(5) 0.137(6) Uani 1 1 d . U . . .
C3AA C 0.0761(13) -0.3692(11) 0.5523(4) 0.105(6) Uani 1 1 d D U . . .
H3AA H 0.058458 -0.349897 0.543895 0.126 Uiso 1 1 calc R . . . .
H3AB H 0.084670 -0.392636 0.541741 0.126 Uiso 1 1 calc R . . . .
C8 C 0.1777(16) -0.2210(12) 0.6668(4) 0.125(5) Uani 1 1 d D U . . .
C4AA C 0.1810(13) -0.2842(12) 0.5544(5) 0.102(8) Uani 1 1 d . U . . .
H4AA H 0.177702 -0.250257 0.550667 0.153 Uiso 1 1 calc GR . . . .
H4AB H 0.186967 -0.300498 0.540570 0.153 Uiso 1 1 calc GR . . . .
H4AC H 0.213784 -0.272855 0.564547 0.153 Uiso 1 1 calc GR . . . .
C10 C 0.1496(14) -0.2215(8) 0.7047(3) 0.114(6) Uani 1 1 d D U . . .
H10A H 0.125578 -0.208516 0.712719 0.137 Uiso 1 1 calc R . . . .
H10B H 0.177106 -0.223011 0.715469 0.137 Uiso 1 1 calc R . . . .
C5AA C 0.1164(10) -0.3272(12) 0.5870(6) 0.114(5) Uani 1 1 d D U . . .
C6AA C 0.0399(13) -0.4036(11) 0.5710(3) 0.115(7) Uani 1 1 d D U . . .
H6AA H 0.040653 -0.440179 0.571815 0.138 Uiso 1 1 calc R . . . .
H6AB H -0.000385 -0.413313 0.568132 0.138 Uiso 1 1 calc R . . . .
C16 C 0.1793(14) -0.1846(9) 0.6855(3) 0.115(6) Uani 1 1 d D U . . .
H16A H 0.219817 -0.156666 0.689464 0.138 Uiso 1 1 calc R . . . .
H16B H 0.160065 -0.162688 0.680995 0.138 Uiso 1 1 calc R . . . .
C18 C 0.1142(15) -0.2769(10) 0.6935(5) 0.127(7) Uani 1 1 d D U . . .
H18A H 0.076488 -0.281774 0.688895 0.153 Uiso 1 1 calc R . . . .
H18B H 0.107600 -0.309401 0.703448 0.153 Uiso 1 1 calc R . . . .
C20 C 0.0586(11) -0.3739(11) 0.5926(3) 0.120(7) Uani 1 1 d D U . . .
H20A H 0.033259 -0.358837 0.597616 0.144 Uiso 1 1 calc R . . . .
H20B H 0.059682 -0.399421 0.604437 0.144 Uiso 1 1 calc R . . . .
C24 C 0.132(2) -0.3265(17) 0.6575(7) 0.180(14) Uani 1 1 d . U . . .
H24A H 0.166269 -0.324606 0.650895 0.271 Uiso 1 1 calc GR . . . .
H24B H 0.106922 -0.326129 0.645485 0.271 Uiso 1 1 calc GR . . . .
H24C H 0.110707 -0.362082 0.666289 0.271 Uiso 1 1 calc GR . . . .
O4 O 0.2057(12) -0.2082(11) 0.6481(4) 0.135(2) Uani 1 1 d . U . . .
O2 O 0.1531(12) -0.2946(11) 0.6012(4) 0.135(2) Uani 1 1 d . U . . .
O0AA O 0.1439(12) -0.1824(11) 0.5946(4) 0.135(2) Uani 1 1 d . U . . .
O10 O 0.2880(8) -0.2171(10) 0.6175(4) 0.135(2) Uani 1 1 d D . . A 1
C1AA C 0.3699(17) -0.2272(15) 0.6390(4) 0.135(2) Uani 1 1 d D . . B 2
H1AA H 0.403378 -0.209468 0.649017 0.203 Uiso 1 1 calc GR . . B 2
H1AB H 0.356941 -0.268273 0.637150 0.203 Uiso 1 1 calc GR . . B 2
H1AC H 0.338573 -0.222783 0.645406 0.203 Uiso 1 1 calc GR . . B 2
C2AA C 0.4195(8) -0.1532(13) 0.5827(4) 0.135(2) Uani 1 1 d D . . C 2
H2AA H 0.442222 -0.110687 0.581240 0.163 Uiso 1 1 calc R . . C 2
H2AB H 0.424655 -0.170856 0.568863 0.163 Uiso 1 1 calc R . . C 2
C60 C 0.4371(8) -0.1726(14) 0.6026(4) 0.135(2) Uani 1 1 d D . . C 2
H60A H 0.469841 -0.139649 0.610269 0.163 Uiso 1 1 calc R . . C 2
H60B H 0.448701 -0.201240 0.598475 0.163 Uiso 1 1 calc R . . C 2
N7AA N 0.3859(9) -0.1988(12) 0.6170(4) 0.135(2) Uani 1 1 d D . . . .
C30 C 0.3363(7) -0.2000(9) 0.6084(3) 0.135(2) Uani 1 1 d D . . . .
C83 C 0.3586(8) -0.1727(14) 0.5866(4) 0.135(2) Uani 1 1 d D . . . .
H83A H 0.352742 -0.139077 0.585161 0.163 Uiso 1 1 calc R . . C .
H83B H 0.335583 -0.200491 0.574591 0.163 Uiso 1 1 calc R . . C .


_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
Ag01 Ag02 2.7570(10) 3_665 ?
Ag01 Ag02 2.7570(10) . ?
Ag01 Ag02 2.7570(10) 2_655 ?
Ag01 Ag03 2.7529(17) 3_665 ?
Ag01 Ag03 2.7529(17) 2_655 ?
Ag01 Ag03 2.7529(17) . ?
Ag01 Ag04 2.7913(10) 3_665 ?
Ag01 Ag04 2.7913(10) 2_655 ?
Ag01 Ag04 2.7914(10) . ?
Ag01 Ag05 2.7790(17) 2_655 ?
Ag01 Ag05 2.7789(17) . ?
Ag01 Ag05 2.7791(17) 3_665 ?
Ag02 Ag03 2.8303(15) 2_655 ?
Ag02 Ag04 2.9859(15) 3_665 ?
Ag02 Ag04 2.8418(14) 2_655 ?
Ag02 Ag05 2.9909(15) . ?
Ag02 Ag05 2.9020(15) 3_665 ?
Ag02 Ag08 3.0990(15) 3_665 ?
Ag02 S00H 2.445(4) . ?
Ag03 Ag02 2.8301(15) 3_665 ?
Ag03 Ag03 2.9596(17) 2_655 ?
Ag03 Ag03 2.9595(17) 3_665 ?
Ag03 Ag04 2.9428(14) 2_655 ?
Ag03 Ag04 2.8361(14) . ?
Ag03 Ag06 3.0328(14) 2_655 ?
Ag03 S00C 2.474(4) 3_665 ?
Ag04 Ag02 2.9859(15) 2_655 ?
Ag04 Ag02 2.8419(14) 3_665 ?
Ag04 Ag03 2.9426(14) 3_665 ?
Ag04 Ag05 2.9923(15) 2_655 ?
Ag04 Ag09 3.1207(15) 2_655 ?
Ag04 S00D 2.479(4) . ?
Ag05 Ag02 2.9020(15) 2_655 ?
Ag05 Ag04 2.9919(15) 3_665 ?
Ag05 Ag05 2.8451(18) 3_665 ?
Ag05 Ag05 2.8450(18) 2_655 ?
Ag05 Ag0A 3.2604(16) . ?
Ag05 S00K 2.446(4) . ?
Ag06 Ag03 3.0328(14) 3_665 ?
Ag06 Ag08 3.0939(16) . ?
Ag06 Ag09 3.1889(16) . ?
Ag06 S00C 2.581(4) 2_655 ?
Ag06 S00F 2.497(4) . ?
Ag06 S00I 2.468(4) . ?
Ag07 S00C 2.645(4) 3_665 ?
Ag07 S00C 2.645(4) . ?
Ag07 S00C 2.645(4) 2_655 ?
Ag07 P00G 2.549(8) . ?
Ag08 Ag02 3.0990(15) 2_655 ?
Ag08 Ag09 3.0803(16) . ?
Ag08 S00E 2.471(4) . ?
Ag08 S00H 2.573(4) 2_655 ?
Ag08 S00I 2.507(4) . ?
Ag09 Ag04 3.1207(15) 3_665 ?
Ag09 S00D 2.611(4) 3_665 ?
Ag09 S00E 2.469(4) . ?
Ag09 S00F 2.452(4) . ?
Ag0A Ag0A 3.122(2) 3_665 ?
Ag0A Ag0A 3.122(2) 2_655 ?
Ag0A S00K 2.570(4) . ?
Ag0A S00L 2.460(4) 2_655 ?
Ag0A S00L 2.461(5) . ?
Ag0B S00D 2.595(4) 3_665 ?
Ag0B S00H 2.616(4) . ?
Ag0B P00J 2.490(4) . ?
Ag0B S00K 2.600(4) . ?
S00C Ag03 2.475(4) 2_655 ?
S00C Ag06 2.581(4) 3_665 ?
S00C C00O 1.802(7) . ?
S00D Ag09 2.611(4) 2_655 ?
S00D Ag0B 2.594(4) 2_655 ?
S00D C00N 1.787(7) . ?
S00E C00Y 1.783(8) . ?
S00F C011 1.775(7) . ?
P00G C01I 1.832(11) . ?
P00G C01I 1.832(11) 3_665 ?
P00G C01I 1.832(11) 2_655 ?
S00H Ag08 2.573(4) 3_665 ?
S00H C00W 1.778(9) . ?
S00I C00X 1.797(7) . ?
P00J C015 1.832(9) . ?
P00J C018 1.834(10) . ?
P00J C01E 1.819(9) . ?
S00K C00Z 1.789(8) . ?
S00L Ag0A 2.460(4) 3_665 ?
S00L C012 1.786(9) . ?
C00S C00X 1.3900 . ?
C00S C00N 1.3900 . ?
C00X C00R 1.3900 . ?
C00R C017 1.3900 . ?
C017 C00U 1.3900 . ?
C00U C00N 1.3900 . ?
C00Z C00T 1.3900 . ?
C00Z C013 1.3900 . ?
C00T C00Y 1.3900 . ?
C00Y C01D 1.3900 . ?
C01D C010 1.3900 . ?
C010 C013 1.3900 . ?
C011 C00P 1.3900 . ?
C011 C00V 1.3900 . ?
C00P C00O 1.3900 . ?
C00O C00Q 1.3900 . ?
C00Q C016 1.3900 . ?
C016 C00V 1.3900 . ?
C014 C012 1.3900 . ?
C014 C00W 1.3900 . ?
C012 C01L 1.3900 . ?
C01L C01F 1.3900 . ?
C01F C01J 1.3900 . ?
C01J C00W 1.3900 . ?
C015 C01M 1.3900 . ?
C015 C01A 1.3900 . ?
C01M C01K 1.3900 . ?
C01K C01B 1.3900 . ?
C01B C01G 1.3900 . ?
C01G C01A 1.3900 . ?
C018 C022 1.3900 . ?
C018 C01C 1.3900 . ?
C022 C3 1.3900 . ?
C3 C01S 1.3900 . ?
C01S C01Q 1.3900 . ?
C01Q C01C 1.3900 . ?
C01E C01H 1.3900 . ?
C01E C01Z 1.3900 . ?
C01H C01Y 1.3900 . ?
C01Y C026 1.3900 . ?
C026 C021 1.3900 . ?
C021 C01Z 1.3900 . ?
C01I C01V 1.3900 . ?
C01I C01X 1.3900 . ?
C01V C01N 1.3900 . ?
C01N C4 1.3900 . ?
C4 C5 1.3900 . ?
C5 C01X 1.3900 . ?
Na1 O1 2.28(3) . ?
Na1 O4 2.20(3) . ?
Na1 O2 2.25(3) . ?
Na1 O0AA 2.36(3) . ?
Na1 O10 2.28(2) . ?
O1 C0AA 1.26(3) . ?
C0AA C7 1.4610(11) . ?
C0AA N10 1.36(3) . ?
C7 C12 1.4610(10) . ?
N10 C11 1.41(3) . ?
N10 C31 1.41(4) . ?
C11 C12 1.4611(10) . ?
N3 C6 1.29(4) . ?
N3 C9 1.49(4) . ?
N3 C17 1.36(4) . ?
C6 C25 1.4610(11) . ?
C6 O0AA 1.27(4) . ?
C17 C22 1.4611(11) . ?
C22 C25 1.4611(10) . ?
N2AA C3AA 1.51(4) . ?
N2AA C4AA 1.43(3) . ?
N2AA C5AA 1.34(4) . ?
N0AA C8 1.27(4) . ?
N0AA C18 1.51(4) . ?
N0AA C24 1.57(5) . ?
C3AA C6AA 1.4611(10) . ?
C8 C16 1.4610(10) . ?
C8 O4 1.29(3) . ?
C10 C16 1.4610(11) . ?
C10 C18 1.4610(11) . ?
C5AA C20 1.4610(11) . ?
C5AA O2 1.26(4) . ?
C6AA C20 1.4611(10) . ?
N7AA C30 1.410(17) . ?
C30 C83 1.4610(11) . ?

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
Ag02 Ag01 Ag02 116.95(2) 2_655 3_665 ?
Ag02 Ag01 Ag02 116.95(2) 2_655 . ?
Ag02 Ag01 Ag02 116.94(2) 3_665 . ?
Ag02 Ag01 Ag04 61.62(3) 2_655 3_665 ?
Ag02 Ag01 Ag04 65.11(3) 3_665 2_655 ?
Ag02 Ag01 Ag04 65.11(3) . 3_665 ?
Ag02 Ag01 Ag04 65.11(3) 2_655 . ?
Ag02 Ag01 Ag04 177.89(5) 2_655 2_655 ?
Ag02 Ag01 Ag04 61.62(3) 3_665 . ?
Ag02 Ag01 Ag04 61.62(3) . 2_655 ?
Ag02 Ag01 Ag04 177.89(5) . . ?
Ag02 Ag01 Ag04 177.89(5) 3_665 3_665 ?
Ag02 Ag01 Ag05 65.41(4) 2_655 2_655 ?
Ag02 Ag01 Ag05 116.03(6) 3_665 . ?
Ag02 Ag01 Ag05 116.03(6) 2_655 3_665 ?
Ag02 Ag01 Ag05 63.23(4) 3_665 2_655 ?
Ag02 Ag01 Ag05 65.40(4) . . ?
Ag02 Ag01 Ag05 116.03(6) . 2_655 ?
Ag02 Ag01 Ag05 63.23(4) . 3_665 ?
Ag02 Ag01 Ag05 63.23(4) 2_655 . ?
Ag02 Ag01 Ag05 65.41(4) 3_665 3_665 ?
Ag03 Ag01 Ag02 61.82(3) 2_655 . ?
Ag03 Ag01 Ag02 61.81(3) . 3_665 ?
Ag03 Ag01 Ag02 116.18(5) 3_665 . ?
Ag03 Ag01 Ag02 116.18(5) . 2_655 ?
Ag03 Ag01 Ag02 116.18(5) 2_655 3_665 ?
Ag03 Ag01 Ag02 116.54(5) 2_655 2_655 ?
Ag03 Ag01 Ag02 116.55(5) . . ?
Ag03 Ag01 Ag02 116.54(5) 3_665 3_665 ?
Ag03 Ag01 Ag02 61.81(3) 3_665 2_655 ?
Ag03 Ag01 Ag03 65.03(5) 3_665 . ?
Ag03 Ag01 Ag03 65.03(5) . 2_655 ?
Ag03 Ag01 Ag03 65.03(5) 3_665 2_655 ?
Ag03 Ag01 Ag04 61.53(4) 3_665 3_665 ?
Ag03 Ag01 Ag04 117.13(6) 3_665 2_655 ?
Ag03 Ag01 Ag04 61.53(4) 2_655 2_655 ?
Ag03 Ag01 Ag04 64.11(4) 2_655 3_665 ?
Ag03 Ag01 Ag04 64.11(4) . 2_655 ?
Ag03 Ag01 Ag04 64.11(4) 3_665 . ?
Ag03 Ag01 Ag04 117.12(6) 2_655 . ?
Ag03 Ag01 Ag04 61.53(4) . . ?
Ag03 Ag01 Ag04 117.13(6) . 3_665 ?
Ag03 Ag01 Ag05 177.47(5) . . ?
Ag03 Ag01 Ag05 117.49(3) . 3_665 ?
Ag03 Ag01 Ag05 177.47(5) 3_665 3_665 ?
Ag03 Ag01 Ag05 117.49(3) 2_655 . ?
Ag03 Ag01 Ag05 115.89(3) 3_665 . ?
Ag03 Ag01 Ag05 115.89(3) . 2_655 ?
Ag03 Ag01 Ag05 115.89(3) 2_655 3_665 ?
Ag03 Ag01 Ag05 117.49(3) 3_665 2_655 ?
Ag03 Ag01 Ag05 177.47(5) 2_655 2_655 ?
Ag04 Ag01 Ag04 116.31(3) . 3_665 ?
Ag04 Ag01 Ag04 116.31(3) . 2_655 ?
Ag04 Ag01 Ag04 116.31(3) 3_665 2_655 ?
Ag05 Ag01 Ag04 116.49(5) 2_655 2_655 ?
Ag05 Ag01 Ag04 64.98(3) . 3_665 ?
Ag05 Ag01 Ag04 116.58(5) 3_665 . ?
Ag05 Ag01 Ag04 116.58(5) . 2_655 ?
Ag05 Ag01 Ag04 116.49(5) 3_665 3_665 ?
Ag05 Ag01 Ag04 64.98(3) 3_665 2_655 ?
Ag05 Ag01 Ag04 116.58(5) 2_655 3_665 ?
Ag05 Ag01 Ag04 116.49(5) . . ?
Ag05 Ag01 Ag04 64.98(3) 2_655 . ?
Ag05 Ag01 Ag05 61.58(5) . 3_665 ?
Ag05 Ag01 Ag05 61.58(5) 2_655 3_665 ?
Ag05 Ag01 Ag05 61.58(5) 2_655 . ?
Ag01 Ag02 Ag03 59.02(5) . 2_655 ?
Ag01 Ag02 Ag04 59.79(3) . 2_655 ?
Ag01 Ag02 Ag04 58.00(3) . 3_665 ?
Ag01 Ag02 Ag05 57.65(4) . . ?
Ag01 Ag02 Ag05 58.76(4) . 3_665 ?
Ag01 Ag02 Ag08 147.75(5) . 3_665 ?
Ag03 Ag02 Ag04 60.00(4) 2_655 2_655 ?
Ag03 Ag02 Ag04 60.72(4) 2_655 3_665 ?
Ag03 Ag02 Ag05 109.75(4) 2_655 3_665 ?
Ag03 Ag02 Ag05 108.62(4) 2_655 . ?
Ag03 Ag02 Ag08 93.16(4) 2_655 3_665 ?
Ag04 Ag02 Ag04 108.91(5) 2_655 3_665 ?
Ag04 Ag02 Ag05 62.78(4) 2_655 3_665 ?
Ag04 Ag02 Ag05 60.08(4) 3_665 . ?
Ag04 Ag02 Ag05 108.64(4) 2_655 . ?
Ag04 Ag02 Ag08 125.22(5) 3_665 3_665 ?
Ag04 Ag02 Ag08 93.34(4) 2_655 3_665 ?
Ag05 Ag02 Ag04 107.11(4) 3_665 3_665 ?
Ag05 Ag02 Ag05 57.71(5) 3_665 . ?
Ag05 Ag02 Ag08 154.59(5) . 3_665 ?
Ag05 Ag02 Ag08 127.45(5) 3_665 3_665 ?
S00H Ag02 Ag01 157.66(10) . . ?
S00H Ag02 Ag03 131.99(11) . 2_655 ?
S00H Ag02 Ag04 107.39(10) . 3_665 ?
S00H Ag02 Ag04 141.17(10) . 2_655 ?
S00H Ag02 Ag05 101.02(10) . . ?
S00H Ag02 Ag05 117.96(11) . 3_665 ?
S00H Ag02 Ag08 53.74(9) . 3_665 ?
Ag01 Ag03 Ag02 59.16(4) . 3_665 ?
Ag01 Ag03 Ag03 57.49(2) . 3_665 ?
Ag01 Ag03 Ag03 57.48(2) . 2_655 ?
Ag01 Ag03 Ag04 59.90(3) . . ?
Ag01 Ag03 Ag04 58.58(3) . 2_655 ?
Ag01 Ag03 Ag06 145.50(5) . 2_655 ?
Ag02 Ag03 Ag03 108.06(3) 3_665 3_665 ?
Ag02 Ag03 Ag03 107.75(3) 3_665 2_655 ?
Ag02 Ag03 Ag04 62.25(4) 3_665 2_655 ?
Ag02 Ag03 Ag04 60.20(4) 3_665 . ?
Ag02 Ag03 Ag06 91.69(4) 3_665 2_655 ?
Ag03 Ag03 Ag03 60.0 3_665 2_655 ?
Ag03 Ag03 Ag06 126.13(5) 3_665 2_655 ?
Ag03 Ag03 Ag06 157.01(4) 2_655 2_655 ?
Ag04 Ag03 Ag03 106.54(3) 2_655 3_665 ?
Ag04 Ag03 Ag03 60.98(4) . 3_665 ?
Ag04 Ag03 Ag03 57.44(4) 2_655 2_655 ?
Ag04 Ag03 Ag03 109.39(4) . 2_655 ?
Ag04 Ag03 Ag04 110.29(5) . 2_655 ?
Ag04 Ag03 Ag06 90.70(4) . 2_655 ?
Ag04 Ag03 Ag06 126.73(4) 2_655 2_655 ?
S00C Ag03 Ag01 159.26(10) 3_665 . ?
S00C Ag03 Ag02 139.69(10) 3_665 3_665 ?
S00C Ag03 Ag03 109.98(9) 3_665 3_665 ?
S00C Ag03 Ag03 102.40(9) 3_665 2_655 ?
S00C Ag03 Ag04 117.25(9) 3_665 2_655 ?
S00C Ag03 Ag04 131.81(9) 3_665 . ?
S00C Ag03 Ag06 54.77(9) 3_665 2_655 ?
Ag01 Ag04 Ag02 58.59(3) . 3_665 ?
Ag01 Ag04 Ag02 56.89(3) . 2_655 ?
Ag01 Ag04 Ag03 58.57(4) . . ?
Ag01 Ag04 Ag03 57.31(4) . 3_665 ?
Ag01 Ag04 Ag05 57.31(4) . 2_655 ?
Ag01 Ag04 Ag09 146.53(4) . 2_655 ?
Ag02 Ag04 Ag02 107.48(5) 3_665 2_655 ?
Ag02 Ag04 Ag03 108.21(4) 3_665 3_665 ?
Ag02 Ag04 Ag05 59.59(4) 3_665 2_655 ?
Ag02 Ag04 Ag05 60.04(4) 2_655 2_655 ?
Ag02 Ag04 Ag09 155.95(5) 2_655 2_655 ?
Ag02 Ag04 Ag09 90.89(4) 3_665 2_655 ?
Ag03 Ag04 Ag02 57.02(3) 3_665 2_655 ?
Ag03 Ag04 Ag02 106.88(4) . 2_655 ?
Ag03 Ag04 Ag02 59.79(4) . 3_665 ?
Ag03 Ag04 Ag03 61.58(5) . 3_665 ?
Ag03 Ag04 Ag05 107.08(4) . 2_655 ?
Ag03 Ag04 Ag05 105.65(4) 3_665 2_655 ?
Ag03 Ag04 Ag09 132.33(5) 3_665 2_655 ?
Ag03 Ag04 Ag09 95.67(4) . 2_655 ?
Ag05 Ag04 Ag09 121.47(4) 2_655 2_655 ?
S00D Ag04 Ag01 156.29(10) . . ?
S00D Ag04 Ag02 101.82(9) . 2_655 ?
S00D Ag04 Ag02 128.94(9) . 3_665 ?
S00D Ag04 Ag03 144.84(10) . . ?
S00D Ag04 Ag03 122.81(9) . 3_665 ?
S00D Ag04 Ag05 104.64(10) . 2_655 ?
S00D Ag04 Ag09 54.13(9) . 2_655 ?
Ag01 Ag05 Ag02 56.95(3) . . ?
Ag01 Ag05 Ag02 58.02(3) . 2_655 ?
Ag01 Ag05 Ag04 57.71(4) . 3_665 ?
Ag01 Ag05 Ag05 59.21(2) . 3_665 ?
Ag01 Ag05 Ag05 59.21(2) . 2_655 ?
Ag01 Ag05 Ag0A 146.40(5) . . ?
Ag02 Ag05 Ag02 105.79(5) 2_655 . ?
Ag02 Ag05 Ag04 59.88(4) . 3_665 ?
Ag02 Ag05 Ag04 57.63(4) 2_655 3_665 ?
Ag02 Ag05 Ag0A 123.83(5) . . ?
Ag02 Ag05 Ag0A 129.83(5) 2_655 . ?
Ag04 Ag05 Ag0A 155.68(5) 3_665 . ?
Ag05 Ag05 Ag02 62.72(4) 2_655 2_655 ?
Ag05 Ag05 Ag02 107.11(4) 2_655 . ?
Ag05 Ag05 Ag02 59.58(4) 3_665 . ?
Ag05 Ag05 Ag02 109.58(4) 3_665 2_655 ?
Ag05 Ag05 Ag04 108.45(3) 3_665 3_665 ?
Ag05 Ag05 Ag04 108.53(3) 2_655 3_665 ?
Ag05 Ag05 Ag05 60.0 2_655 3_665 ?
Ag05 Ag05 Ag0A 91.12(3) 3_665 . ?
Ag05 Ag05 Ag0A 93.57(3) 2_655 . ?
S00K Ag05 Ag01 160.88(10) . . ?
S00K Ag05 Ag02 121.09(10) . 2_655 ?
S00K Ag05 Ag02 109.54(10) . . ?
S00K Ag05 Ag04 104.56(10) . 3_665 ?
S00K Ag05 Ag05 139.40(10) . 2_655 ?
S00K Ag05 Ag05 128.76(10) . 3_665 ?
S00K Ag05 Ag0A 51.13(10) . . ?
Ag03 Ag06 Ag08 89.43(4) 3_665 . ?
Ag03 Ag06 Ag09 90.49(4) 3_665 . ?
Ag08 Ag06 Ag09 58.69(4) . . ?
S00C Ag06 Ag03 51.54(8) 2_655 3_665 ?
S00C Ag06 Ag08 134.11(9) 2_655 . ?
S00C Ag06 Ag09 131.78(9) 2_655 . ?
S00F Ag06 Ag03 113.68(9) . 3_665 ?
S00F Ag06 Ag08 102.62(10) . . ?
S00F Ag06 Ag09 49.27(9) . . ?
S00F Ag06 S00C 114.06(12) . 2_655 ?
S00I Ag06 Ag03 112.99(10) . 3_665 ?
S00I Ag06 Ag08 52.11(10) . . ?
S00I Ag06 Ag09 104.97(10) . . ?
S00I Ag06 S00C 116.13(13) . 2_655 ?
S00I Ag06 S00F 125.68(13) . . ?
S00C Ag07 S00C 111.41(8) 3_665 . ?
S00C Ag07 S00C 111.41(9) 2_655 . ?
S00C Ag07 S00C 111.41(8) 2_655 3_665 ?
P00G Ag07 S00C 107.45(9) . . ?
P00G Ag07 S00C 107.46(9) . 3_665 ?
P00G Ag07 S00C 107.46(9) . 2_655 ?
Ag06 Ag08 Ag02 85.63(4) . 2_655 ?
Ag09 Ag08 Ag02 86.99(4) . 2_655 ?
Ag09 Ag08 Ag06 62.19(4) . . ?
S00E Ag08 Ag02 112.19(10) . 2_655 ?
S00E Ag08 Ag06 108.50(10) . . ?
S00E Ag08 Ag09 51.40(9) . . ?
S00E Ag08 S00H 117.06(14) . 2_655 ?
S00E Ag08 S00I 129.15(13) . . ?
S00H Ag08 Ag02 50.03(8) 2_655 2_655 ?
S00H Ag08 Ag06 124.91(10) 2_655 . ?
S00H Ag08 Ag09 130.54(9) 2_655 . ?
S00I Ag08 Ag02 111.39(10) . 2_655 ?
S00I Ag08 Ag06 50.99(9) . . ?
S00I Ag08 Ag09 107.16(9) . . ?
S00I Ag08 S00H 110.58(13) . 2_655 ?
Ag04 Ag09 Ag06 82.91(4) 3_665 . ?
Ag08 Ag09 Ag04 88.45(4) . 3_665 ?
Ag08 Ag09 Ag06 59.11(4) . . ?
S00D Ag09 Ag04 50.30(8) 3_665 3_665 ?
S00D Ag09 Ag06 128.51(9) 3_665 . ?
S00D Ag09 Ag08 127.34(9) 3_665 . ?
S00E Ag09 Ag04 116.06(10) . 3_665 ?
S00E Ag09 Ag06 105.70(10) . . ?
S00E Ag09 Ag08 51.45(9) . . ?
S00E Ag09 S00D 113.04(13) . 3_665 ?
S00F Ag09 Ag04 106.40(9) . 3_665 ?
S00F Ag09 Ag06 50.50(9) . . ?
S00F Ag09 Ag08 104.11(10) . . ?
S00F Ag09 S00D 116.83(12) . 3_665 ?
S00F Ag09 S00E 128.06(13) . . ?
Ag0A Ag0A Ag05 86.38(3) 2_655 . ?
Ag0A Ag0A Ag05 88.61(3) 3_665 . ?
Ag0A Ag0A Ag0A 60.0 2_655 3_665 ?
S00K Ag0A Ag05 47.81(9) . . ?
S00K Ag0A Ag0A 126.96(9) . 3_665 ?
S00K Ag0A Ag0A 128.26(9) . 2_655 ?
S00L Ag0A Ag05 108.60(11) 2_655 . ?
S00L Ag0A Ag05 112.93(11) . . ?
S00L Ag0A Ag0A 105.83(12) 2_655 3_665 ?
S00L Ag0A Ag0A 50.60(11) . 3_665 ?
S00L Ag0A Ag0A 50.63(11) 2_655 2_655 ?
S00L Ag0A Ag0A 105.80(11) . 2_655 ?
S00L Ag0A S00K 112.98(14) . . ?
S00L Ag0A S00K 115.01(15) 2_655 . ?
S00L Ag0A S00L 130.2(2) 2_655 . ?
S00D Ag0B S00H 108.81(12) 3_665 . ?
S00D Ag0B S00K 109.82(12) 3_665 . ?
P00J Ag0B S00D 114.23(13) . 3_665 ?
P00J Ag0B S00H 107.47(13) . . ?
P00J Ag0B S00K 105.79(13) . . ?
S00K Ag0B S00H 110.67(13) . . ?
Ag03 S00C Ag06 73.68(11) 2_655 3_665 ?
Ag03 S00C Ag07 87.84(12) 2_655 . ?
Ag06 S00C Ag07 139.48(15) 3_665 . ?
C00O S00C Ag03 101.8(3) . 2_655 ?
C00O S00C Ag06 112.8(3) . 3_665 ?
C00O S00C Ag07 106.0(3) . . ?
Ag04 S00D Ag09 75.57(11) . 2_655 ?
Ag04 S00D Ag0B 92.52(12) . 2_655 ?
Ag0B S00D Ag09 142.37(16) 2_655 2_655 ?
C00N S00D Ag04 107.3(3) . . ?
C00N S00D Ag09 120.5(4) . 2_655 ?
C00N S00D Ag0B 97.0(4) . 2_655 ?
Ag09 S00E Ag08 77.15(11) . . ?
C00Y S00E Ag08 109.9(4) . . ?
C00Y S00E Ag09 104.7(4) . . ?
Ag09 S00F Ag06 80.23(11) . . ?
C011 S00F Ag06 109.5(3) . . ?
C011 S00F Ag09 103.3(4) . . ?
C01I P00G Ag07 114.5(5) 2_655 . ?
C01I P00G Ag07 114.5(5) . . ?
C01I P00G Ag07 114.5(5) 3_665 . ?
C01I P00G C01I 104.0(6) 2_655 . ?
C01I P00G C01I 104.0(6) 2_655 3_665 ?
C01I P00G C01I 104.0(6) . 3_665 ?
Ag02 S00H Ag08 76.23(11) . 3_665 ?
Ag02 S00H Ag0B 92.34(12) . . ?
Ag08 S00H Ag0B 145.84(18) 3_665 . ?
C00W S00H Ag02 106.2(4) . . ?
C00W S00H Ag08 113.5(4) . 3_665 ?
C00W S00H Ag0B 100.5(4) . . ?
Ag06 S00I Ag08 76.90(11) . . ?
C00X S00I Ag06 111.8(4) . . ?
C00X S00I Ag08 105.5(4) . . ?
C015 P00J Ag0B 113.3(4) . . ?
C015 P00J C018 103.2(6) . . ?
C018 P00J Ag0B 116.4(4) . . ?
C01E P00J Ag0B 114.7(4) . . ?
C01E P00J C015 104.3(5) . . ?
C01E P00J C018 103.5(6) . . ?
Ag05 S00K Ag0A 81.05(12) . . ?
Ag05 S00K Ag0B 90.06(13) . . ?
Ag0A S00K Ag0B 142.55(16) . . ?
C00Z S00K Ag05 108.1(3) . . ?
C00Z S00K Ag0A 119.7(4) . . ?
C00Z S00K Ag0B 97.7(4) . . ?
Ag0A S00L Ag0A 78.76(14) 3_665 . ?
C012 S00L Ag0A 105.3(4) . 3_665 ?
C012 S00L Ag0A 107.9(4) . . ?
C00X C00S C00N 120.0 . . ?
C00S C00X S00I 121.2(5) . . ?
C00S C00X C00R 120.0 . . ?
C00R C00X S00I 118.7(5) . . ?
C017 C00R C00X 120.0 . . ?
C00R C017 C00U 120.0 . . ?
C00N C00U C017 120.0 . . ?
C00S C00N S00D 120.4(5) . . ?
C00U C00N S00D 119.0(5) . . ?
C00U C00N C00S 120.0 . . ?
C00T C00Z S00K 121.3(5) . . ?
C00T C00Z C013 120.0 . . ?
C013 C00Z S00K 117.9(5) . . ?
C00Z C00T C00Y 120.0 . . ?
C00T C00Y S00E 121.0(5) . . ?
C01D C00Y S00E 119.0(5) . . ?
C01D C00Y C00T 120.0 . . ?
C00Y C01D C010 120.0 . . ?
C013 C010 C01D 120.0 . . ?
C010 C013 C00Z 120.0 . . ?
C00P C011 S00F 119.9(5) . . ?
C00P C011 C00V 120.0 . . ?
C00V C011 S00F 120.0(5) . . ?
C00O C00P C011 120.0 . . ?
C00P C00O S00C 120.4(5) . . ?
C00Q C00O S00C 119.4(5) . . ?
C00Q C00O C00P 120.0 . . ?
C00O C00Q C016 120.0 . . ?
C00Q C016 C00V 120.0 . . ?
C016 C00V C011 120.0 . . ?
C012 C014 C00W 120.0 . . ?
C014 C012 S00L 122.2(6) . . ?
C014 C012 C01L 120.0 . . ?
C01L C012 S00L 117.7(6) . . ?
C01F C01L C012 120.0 . . ?
C01L C01F C01J 120.0 . . ?
C00W C01J C01F 120.0 . . ?
C014 C00W S00H 120.6(6) . . ?
C01J C00W S00H 118.8(6) . . ?
C01J C00W C014 120.0 . . ?
C01M C015 P00J 122.7(6) . . ?
C01M C015 C01A 120.0 . . ?
C01A C015 P00J 117.3(6) . . ?
C01K C01M C015 120.0 . . ?
C01M C01K C01B 120.0 . . ?
C01K C01B C01G 120.0 . . ?
C01A C01G C01B 120.0 . . ?
C01G C01A C015 120.0 . . ?
C022 C018 P00J 124.3(7) . . ?
C022 C018 C01C 120.0 . . ?
C01C C018 P00J 115.6(7) . . ?
C018 C022 C3 120.0 . . ?
C01S C3 C022 120.0 . . ?
C3 C01S C01Q 120.0 . . ?
C01C C01Q C01S 120.0 . . ?
C01Q C01C C018 120.0 . . ?
C01H C01E P00J 122.5(6) . . ?
C01H C01E C01Z 120.0 . . ?
C01Z C01E P00J 117.3(6) . . ?
C01E C01H C01Y 120.0 . . ?
C026 C01Y C01H 120.0 . . ?
C01Y C026 C021 120.0 . . ?
C01Z C021 C026 120.0 . . ?
C021 C01Z C01E 120.0 . . ?
C01V C01I P00G 116.7(9) . . ?
C01V C01I C01X 120.0 . . ?
C01X C01I P00G 123.3(8) . . ?
C01N C01V C01I 120.0 . . ?
C01V C01N C4 120.0 . . ?
C5 C4 C01N 120.0 . . ?
C4 C5 C01X 120.0 . . ?
C5 C01X C01I 120.0 . . ?
O1 Na1 O0AA 82.3(11) . . ?
O1 Na1 O10 93.0(11) . . ?
O4 Na1 O1 100.0(11) . . ?
O4 Na1 O2 101.4(11) . . ?
O4 Na1 O0AA 113.2(12) . . ?
O4 Na1 O10 82.5(11) . . ?
O2 Na1 O1 158.4(12) . . ?
O2 Na1 O0AA 86.5(11) . . ?
O2 Na1 O10 92.9(11) . . ?
C0AA O1 Na1 157(2) . . ?
O1 C0AA C7 127(2) . . ?
O1 C0AA N10 125(2) . . ?
N10 C0AA C7 108(2) . . ?
C12 C7 C0AA 105.3(17) . . ?
C0AA N10 C11 111.6(19) . . ?
C0AA N10 C31 122(2) . . ?
C31 N10 C11 125(3) . . ?
N10 C11 C12 104.5(17) . . ?
C7 C12 C11 106.4(15) . . ?
C6 N3 C9 122(3) . . ?
C6 N3 C17 109(3) . . ?
C17 N3 C9 126(3) . . ?
N3 C6 C25 113(3) . . ?
O0AA C6 N3 123(2) . . ?
O0AA C6 C25 122(3) . . ?
N3 C17 C22 101(3) . . ?
C25 C22 C17 105(2) . . ?
C22 C25 C6 95(2) . . ?
C4AA N2AA C3AA 123(2) . . ?
C5AA N2AA C3AA 110(2) . . ?
C5AA N2AA C4AA 126(3) . . ?
C8 N0AA C18 109(3) . . ?
C8 N0AA C24 124(3) . . ?
C18 N0AA C24 121(3) . . ?
C6AA C3AA N2AA 100(2) . . ?
N0AA C8 C16 108(3) . . ?
N0AA C8 O4 120(2) . . ?
O4 C8 C16 131(3) . . ?
C16 C10 C18 101(2) . . ?
N2AA C5AA C20 113(3) . . ?
O2 C5AA N2AA 122(2) . . ?
O2 C5AA C20 124(3) . . ?
C3AA C6AA C20 113(2) . . ?
C10 C16 C8 109(2) . . ?
C10 C18 N0AA 103(2) . . ?
C5AA C20 C6AA 101(2) . . ?
C8 O4 Na1 153(3) . . ?
C5AA O2 Na1 145(3) . . ?
C6 O0AA Na1 120(2) . . ?
C30 N7AA C1AA 107(2) . . ?
C30 N7AA C60 116.2(16) . . ?
N7AA C30 C83 99.7(11) . . ?
C30 C83 C2AA 115.0(12) . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.000 0.000 0.000 6.9 4.0 ?
2 0.000 0.000 0.090 78.8 38.3 ?
3 0.000 0.000 0.500 552.0 186.1 ?
4 0.000 0.000 0.910 78.8 25.9 ?
5 0.333 0.667 0.167 552.0 186.1 ?
6 0.333 0.667 0.756 78.8 38.3 ?
7 0.333 0.667 0.577 78.8 25.9 ?
8 0.333 0.667 0.667 6.9 4.0 ?
9 0.667 0.333 0.833 552.0 186.1 ?
10 0.667 0.333 0.423 78.8 38.3 ?
11 0.667 0.333 0.244 78.8 25.9 ?
12 0.667 0.333 0.333 6.9 4.0 ?

_olex2_submission_special_instructions 'No special instructions were received'
_exptl_crystal_recrystallization_method 'Vapour deposition'
_exptl_crystal_preparation       Luminescent
