# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
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data_Ag80a
_database_code_depnum_ccdc_archive 'CCDC 1850394'
_audit_update_record             
;
2018-06-19 deposited with the CCDC.
2018-10-15 downloaded from the CCDC.
;
_audit_creation_date             2018-01-04
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5337)
;
_shelxl_version_number           2013-4
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         
'C248 H438 Ag80 F42 Mo16 N6 O108 S50, 2(C F3 O3 S), 4(C3 H8 O), 2(C3 H7 N O)'
_chemical_formula_sum            'C268 H484 Ag80 F48 Mo16 N8 O120 S52'
_chemical_formula_weight         18482.36
_chemical_melting_point          ?
_chemical_oxdiff_formula         AgSCHOF
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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 0.6857 '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'
O O 0.0106 0.0060 '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      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   25.1615(4)
_cell_length_b                   30.4928(5)
_cell_length_c                   32.0095(9)
_cell_angle_alpha                90
_cell_angle_beta                 90.675(2)
_cell_angle_gamma                90
_cell_volume                     24557.4(9)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    49716
_cell_measurement_temperature    83.0(6)
_cell_measurement_theta_max      30.0790
_cell_measurement_theta_min      3.3200
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    3.798
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.62365
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.30d (Rigaku Oxford Diffraction, 2017)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear light red'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    2.500
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             17608
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.08
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0674
_diffrn_reflns_av_unetI/netI     0.0544
_diffrn_reflns_Laue_measured_fraction_full 0.981
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_k_min       -36
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            176090
_diffrn_reflns_point_group_measured_fraction_full 0.981
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.123
_diffrn_reflns_theta_min         3.193
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      83.0(6)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 28.5714
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω      8.00  43.00   1.00   40.00    --    5.49-110.00-105.00   35
  2  ω    -26.00  37.00   1.00   40.00    --    5.49 -99.00  60.00   63
  3  ω    -56.00  15.00   1.00   40.00    --    5.49 -37.00 -90.00   71
  4  ω    -68.00  16.00   1.00   40.00    --    5.49 -19.00 -30.00   84
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_measurement_specimen_support 'Mitegen 50um'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0041768000
_diffrn_orient_matrix_UB_12      -0.0121583000
_diffrn_orient_matrix_UB_13      0.0185739000
_diffrn_orient_matrix_UB_21      0.0042946000
_diffrn_orient_matrix_UB_22      0.0192290000
_diffrn_orient_matrix_UB_23      0.0120316000
_diffrn_orient_matrix_UB_31      -0.0275492000
_diffrn_orient_matrix_UB_32      0.0048321000
_diffrn_orient_matrix_UB_33      -0.0011989000
_diffrn_oxdiff_ac3_digest_frames 
;
01903805ba5f226dec90e013539c457cb800253ad4f
;
_diffrn_oxdiff_ac3_digest_hkl    
;
0175b20335b7343241851190fd216f985c1827
;
_diffrn_radiation_collimation    0.3
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_current           24.0
_diffrn_source_power             1.2
_diffrn_source_target            Mo
_diffrn_source_type              'PhotonJet (Mo) X-ray Source'
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                31774
_reflns_number_total             43585
_reflns_odcompleteness_completeness 98.86
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_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       'CrysAlisPro 1.171.39.30d (Rigaku OD, 2017)'
_computing_data_collection       'CrysAlisPro 1.171.39.30d (Rigaku OD, 2017)'
_computing_data_reduction        'CrysAlisPro 1.171.39.30d (Rigaku OD, 2017)'
_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    ?
_refine_diff_density_max         4.761
_refine_diff_density_min         -3.248
_refine_diff_density_rms         0.295
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2666
_refine_ls_number_reflns         43585
_refine_ls_number_restraints     290
_refine_ls_R_factor_all          0.1081
_refine_ls_R_factor_gt           0.0737
_refine_ls_restrained_S_all      1.067
_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)+(0.0665P)²+1056.4679P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1725
_refine_ls_wR_factor_ref         0.2016
_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, All O(H) groups
2. Restrained distances
 C128-F13
 1.45 with sigma of 0.01
 C128-F15
 1.45 with sigma of 0.01
 C128-F14
 1.45 with sigma of 0.01
 F15-F13
 2.35 with sigma of 0.01
 F14-F15
 2.35 with sigma of 0.01
 F13-F14
 2.35 with sigma of 0.01
 S3-O17
 1.45 with sigma of 0.01
 O18-S3
 1.45 with sigma of 0.01
 S3-O16
 1.45 with sigma of 0.01
 O18-O17
 2.35 with sigma of 0.01
 O18-O16
 2.35 with sigma of 0.01
 O16-O17
 2.35 with sigma of 0.01
 O2A-S1
 1.45 with sigma of 0.01
 O3-S1
 1.45 with sigma of 0.01
 S1-O1
 1.45 with sigma of 0.01
 O3-O2A
 2.35 with sigma of 0.01
 O3-O1
 2.35 with sigma of 0.01
 O2A-O1
 2.35 with sigma of 0.01
 C115-N2
 1.55 with sigma of 0.01
 N2-C116
 1.55 with sigma of 0.01
 C117-N2
 1.55 with sigma of 0.01
 C117-O32
 1.25 with sigma of 0.01
 F3-C129
 1.45 with sigma of 0.01
 F1A-C129
 1.45 with sigma of 0.01
 C129-F2A
 1.45 with sigma of 0.01
 F3-F2A
 2.35 with sigma of 0.01
 F3-F1A
 2.35 with sigma of 0.01
 F1A-F2A
 2.35 with sigma of 0.01
 C120-N4
 1.45 with sigma of 0.01
 C27-C29
 1.55 with sigma of 0.01
3. Restrained planarity
 O32, N2, C115, C116, C117
 with sigma of 0.01
4. Uiso/Uaniso restraints and constraints
S3 \\sim F13 \\sim F14 \\sim F15 \\sim O16 \\sim O17 \\sim O18 \\sim C128:
within 1.7A with sigma of 0.004 and sigma for terminal atoms of 0.08
C25 \\sim C26 \\sim C27 \\sim C28 \\sim C29 \\sim C30: within 1.7A with sigma
of 0.004 and sigma for terminal atoms of 0.08
C43 \\sim C44 \\sim C45 \\sim C46 \\sim C47 \\sim C48: within 1.7A with sigma
of 0.004 and sigma for terminal atoms of 0.08
C55 \\sim C56 \\sim C57 \\sim C58 \\sim C59 \\sim C60: within 1.7A with sigma
of 0.004 and sigma for terminal atoms of 0.08
C79 \\sim C80 \\sim C81 \\sim C82 \\sim C83 \\sim C84: within 1.7A with sigma
of 0.004 and sigma for terminal atoms of 0.08
O32 \\sim N2 \\sim C115 \\sim C116 \\sim C117: within 1.7A with sigma of 0.004
and sigma for terminal atoms of 0.08
C1 \\sim C2 \\sim C3 \\sim C4 \\sim C5 \\sim C6: within 1.7A with sigma of
0.004 and sigma for terminal atoms of 0.08
Ag1 \\sim Ag1A: within 1.7A with sigma of 0.004 and sigma for terminal atoms of
0.08
O2 \\sim O2A \\sim C128: within 1.7A with sigma of 0.004 and sigma for terminal
atoms of 0.08
F1A \\sim F2A \\sim F3: within 1.7A with sigma of 0.004 and sigma for terminal
atoms of 0.08
S1 \\sim F1A \\sim F2A \\sim F3 \\sim O1 \\sim O2A \\sim O3 \\sim C129: within
1.7A with sigma of 0.004 and sigma for terminal atoms of 0.08
5. Others
 Fixed Sof: Ag1(0.92) Ag1A(0.08) S1(0.5) S1A(0.5) F1(0.5) F1A(0.5) F2(0.5)
 F2A(0.5) O1(0.5) O1A(0.5) O2(0.5) O2A(0.5)
6.a Ternary CH refined with riding coordinates:
 C1(H1), C7(H7), C13(H13), C19(H19), C26(H26), C31(H31), C37(H37), C43(H43),
 C49(H49), C55(H55), C62(H62), C67(H67), C73(H73), C79(H79), C85(H85), C91(H91),
  C97(H97), C103(H103)
6.b Secondary CH2 refined with riding coordinates:
 C2(H2A,H2B), C3(H3A,H3B), C4(H4A,H4B), C5(H5A,H5B), C6(H6A,H6B), C8(H8A,H8B),
 C9(H9A,H9B), C10(H10A,H10B), C11(H11A,H11B), C12(H12A,H12B), C14(H14A,H14B),
 C15(H15A,H15B), C16(H16A,H16B), C17(H17A,H17B), C18(H18A,H18B), C20(H20A,H20B),
  C21(H21A,H21B), C22(H22A,H22B), C23(H23A,H23B), C24(H24A,H24B), C25(H25A,
 H25B), C27(H27A,H27B), C28(H28A,H28B), C29(H29A,H29B), C30(H30A,H30B),
 C32(H32A,H32B), C33(H33A,H33B), C34(H34A,H34B), C35(H35A,H35B), C36(H36A,H36B),
  C38(H38A,H38B), C39(H39A,H39B), C40(H40A,H40B), C41(H41A,H41B), C42(H42A,
 H42B), C44(H44A,H44B), C45(H45A,H45B), C46(H46A,H46B), C47(H47A,H47B),
 C48(H48A,H48B), C50(H50A,H50B), C51(H51A,H51B), C52(H52A,H52B), C53(H53A,H53B),
  C54(H54A,H54B), C56(H56A,H56B), C57(H57A,H57B), C58(H58A,H58B), C59(H59A,
 H59B), C60(H60A,H60B), C61(H61A,H61B), C63(H63A,H63B), C64(H64A,H64B),
 C65(H65A,H65B), C66(H66A,H66B), C68(H68A,H68B), C69(H69A,H69B), C70(H70A,H70B),
  C71(H71A,H71B), C72(H72A,H72B), C74(H74A,H74B), C75(H75A,H75B), C76(H76A,
 H76B), C77(H77A,H77B), C78(H78A,H78B), C80(H80A,H80B), C81(H81A,H81B),
 C82(H82A,H82B), C83(H83A,H83B), C84(H84A,H84B), C86(H86A,H86B), C87(H87A,H87B),
  C88(H88A,H88B), C89(H89A,H89B), C90(H90A,H90B), C92(H92A,H92B), C93(H93A,
 H93B), C94(H94A,H94B), C95(H95A,H95B), C96(H96A,H96B), C98(H98A,H98B),
 C99(H99A,H99B), C100(H10C,H10D), C101(H10E,H10F), C102(H10G,H10H), C104(H10I,
 H10J), C105(H10K,H10L), C106(H10M,H10N), C107(H10O,H10P), C108(H10Q,H10R),
 C122(H12I,H12J), C123(H12K,H12L), C125(H12P,H12Q), C126(H12R,H12S)
6.c Aromatic/amide H refined with riding coordinates:
 C111(H111), C112(H112), C118(H118), C117(H117)
6.d Idealised Me refined as rotating group:
 C109(H10S,H10T,H10U), C110(H11C,H11D,H11E), C113(H11F,H11G,H11H), C114(H11I,
 H11J,H11K), C119(H11L,H11M,H11N), C120(H12C,H12D,H12E), C121(H12F,H12G,H12H),
 C124(H12M,H12N,H12O), C115(H11O,H11P,H11Q), C116(H11R,H11S,H11T)
6.e Idealised tetrahedral OH refined as rotating group:
 O29(H29), O30(H30)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.47546(5) 0.41049(5) 0.70826(4) 0.0389(3) Uani 0.92 1 d . U P . .
Ag1A Ag 0.5031(7) 0.3929(6) 0.6975(5) 0.037(2) Uani 0.08 1 d . U P . .
Ag2 Ag 0.59461(5) 0.34458(5) 0.69010(4) 0.0422(3) Uani 1 1 d . . . . .
Ag3 Ag 0.65885(6) 0.42981(5) 0.71286(5) 0.0512(4) Uani 1 1 d . . . . .
Ag4 Ag 0.59933(5) 0.48511(4) 0.64777(4) 0.0428(3) Uani 1 1 d . . . . .
Ag5 Ag 0.58086(6) 0.58336(5) 0.63130(5) 0.0509(4) Uani 1 1 d . . . . .
Ag6 Ag 0.61553(4) 0.50102(4) 0.54863(4) 0.0282(2) Uani 1 1 d . . . . .
Ag7 Ag 0.57245(4) 0.53384(4) 0.47683(4) 0.0271(2) Uani 1 1 d . . . . .
Ag8 Ag 0.73612(4) 0.47367(4) 0.58047(4) 0.0323(3) Uani 1 1 d . . . . .
Ag9 Ag 0.63439(5) 0.67922(4) 0.46631(4) 0.0387(3) Uani 1 1 d . . . . .
Ag10 Ag 0.58692(5) 0.68326(4) 0.57414(4) 0.0408(3) Uani 1 1 d . . . . .
Ag11 Ag 0.74713(5) 0.51238(4) 0.48372(4) 0.0362(3) Uani 1 1 d . . . . .
Ag12 Ag 0.77180(4) 0.47105(4) 0.39328(4) 0.0317(3) Uani 1 1 d . . . . .
Ag13 Ag 0.70537(6) 0.54403(4) 0.34401(4) 0.0442(3) Uani 1 1 d . . . . .
Ag14 Ag 0.54632(5) 0.50327(5) 0.32285(4) 0.0413(3) Uani 1 1 d . . . . .
Ag15 Ag 0.64436(6) 0.44415(5) 0.30745(5) 0.0516(4) Uani 1 1 d . . . . .
Ag16 Ag 0.51191(6) 0.35690(6) 0.31065(6) 0.0617(4) Uani 1 1 d . . . . .
Ag17 Ag 0.62614(5) 0.34763(5) 0.31996(4) 0.0413(3) Uani 1 1 d . . . . .
Ag18 Ag 0.50180(5) 0.27547(4) 0.37731(4) 0.0386(3) Uani 1 1 d . . . . .
Ag19 Ag 0.61436(5) 0.23135(5) 0.37020(5) 0.0521(4) Uani 1 1 d . . . . .
Ag20 Ag 0.46146(5) 0.23162(4) 0.45198(4) 0.0385(3) Uani 1 1 d . . . . .
Ag21 Ag 0.57308(5) 0.17600(5) 0.47083(4) 0.0450(3) Uani 1 1 d . . . . .
Ag22 Ag 0.40158(5) 0.22303(5) 0.54238(5) 0.0468(3) Uani 1 1 d . . . . .
Ag23 Ag 0.53608(5) 0.21739(4) 0.55024(4) 0.0394(3) Uani 1 1 d . . . . .
Ag24 Ag 0.40690(5) 0.28428(5) 0.61999(6) 0.0546(4) Uani 1 1 d . . . . .
Ag25 Ag 0.32695(4) 0.41043(4) 0.57412(4) 0.0297(2) Uani 1 1 d . . . . .
Ag26 Ag 0.35779(5) 0.37942(5) 0.66373(4) 0.0460(3) Uani 1 1 d . . . . .
Ag27 Ag 0.70967(6) 0.20909(5) 0.50580(6) 0.0582(4) Uani 1 1 d . . . . .
Ag28 Ag 0.72223(5) 0.29123(5) 0.65009(5) 0.0442(3) Uani 1 1 d . . . . .
Ag29 Ag 0.78252(5) 0.29435(5) 0.54920(4) 0.0417(3) Uani 1 1 d . . . . .
Ag30 Ag 0.80485(4) 0.39644(4) 0.56254(4) 0.0305(2) Uani 1 1 d . . . . .
Ag31 Ag 0.73605(4) 0.39736(4) 0.63805(4) 0.0356(3) Uani 1 1 d . . . . .
Ag32 Ag 0.83081(4) 0.43312(4) 0.46324(4) 0.0296(2) Uani 1 1 d . . . . .
Ag33 Ag 0.71021(4) 0.36563(4) 0.38505(4) 0.0330(3) Uani 1 1 d . . . . .
Ag34 Ag 0.79213(4) 0.33785(4) 0.45443(4) 0.0347(3) Uani 1 1 d . . . . .
Ag35 Ag 0.70587(5) 0.27773(5) 0.42798(5) 0.0468(3) Uani 1 1 d . . . . .
Ag36 Ag 0.63603(5) 0.24604(4) 0.58895(4) 0.0395(3) Uani 1 1 d . . . . .
Ag37 Ag 0.44714(4) 0.41888(4) 0.45528(4) 0.0309(3) Uani 1 1 d . . . . .
Ag38 Ag 0.53593(4) 0.45174(3) 0.50267(3) 0.0233(2) Uani 1 1 d . . . . .
Ag39 Ag 0.48854(4) 0.49447(4) 0.42723(3) 0.0270(2) Uani 1 1 d . . . . .
Ag40 Ag 0.53225(4) 0.28338(4) 0.62446(4) 0.0328(3) Uani 1 1 d . . . . .
Mo1 Mo 0.47758(5) 0.39473(4) 0.59978(4) 0.0259(3) Uani 1 1 d . . . . .
Mo2 Mo 0.60311(4) 0.37990(4) 0.58376(4) 0.0223(2) Uani 1 1 d . . . . .
Mo3 Mo 0.68920(5) 0.59886(4) 0.54986(4) 0.0316(3) Uani 1 1 d . . . . .
Mo4 Mo 0.68202(4) 0.40874(4) 0.48886(4) 0.0217(2) Uani 1 1 d . . . . .
Mo5 Mo 0.57648(4) 0.36813(4) 0.42439(4) 0.0227(3) Uani 1 1 d . . . . .
Mo6 Mo 0.62845(4) 0.31300(4) 0.50467(4) 0.0242(3) Uani 1 1 d . . . . .
Mo7 Mo 0.50224(4) 0.33077(4) 0.52121(4) 0.0230(3) Uani 1 1 d . . . . .
Mo8 Mo 0.63047(4) 0.46341(4) 0.41152(4) 0.0241(3) Uani 1 1 d . . . . .
S1 S 0.7768(4) 0.1875(4) 0.5914(5) 0.066(3) Uani 0.5 1 d D U P . .
S1A S 0.7827(5) 0.1997(5) 0.6130(4) 0.060(3) Uani 0.5 1 d . . P . .
S2 S 0.62392(16) 0.18597(13) 0.53618(14) 0.0367(9) Uani 1 1 d . . . . .
S3 S 0.6858(3) 0.1431(3) 0.4214(3) 0.101(2) Uani 1 1 d D U . . .
S4 S 0.67895(15) 0.29153(13) 0.35474(14) 0.0356(9) Uani 1 1 d . . . . .
S5 S 0.5800(2) 0.24877(18) 0.27029(18) 0.0580(14) Uani 1 1 d . . . . .
S6 S 0.4597(2) 0.11571(17) 0.49771(19) 0.0583(13) Uani 1 1 d . . . . .
S7 S 0.46407(16) 0.22333(14) 0.60157(15) 0.0388(9) Uani 1 1 d . . . . .
S8 S 0.62749(15) 0.27568(14) 0.65980(12) 0.0336(8) Uani 1 1 d . . . . .
S9 S 0.45630(18) 0.29766(16) 0.72428(15) 0.0467(11) Uani 1 1 d . . . . .
S10 S 0.56974(17) 0.40638(15) 0.73238(15) 0.0432(10) Uani 1 1 d . . . . .
S11 S 0.38272(15) 0.44745(15) 0.69976(13) 0.0371(9) Uani 1 1 d . . . . .
S12 S 0.33142(15) 0.33160(13) 0.60637(13) 0.0352(9) Uani 1 1 d . . . . .
S13 S 0.24477(13) 0.45299(12) 0.58623(12) 0.0276(8) Uani 1 1 d . . . . .
S14 S 0.69979(16) 0.47024(14) 0.65194(13) 0.0370(9) Uani 1 1 d . . . . .
S15 S 0.7664(2) 0.33908(18) 0.73920(17) 0.0551(12) Uani 1 1 d . . . . .
S16 S 0.79109(14) 0.33629(13) 0.61317(13) 0.0324(8) Uani 1 1 d . . . . .
S17 S 0.81411(14) 0.46971(13) 0.53013(12) 0.0287(8) Uani 1 1 d . . . . .
S18 S 0.92271(14) 0.36972(13) 0.50478(12) 0.0317(8) Uani 1 1 d . . . . .
S19 S 0.80285(13) 0.39493(12) 0.39870(12) 0.0283(8) Uani 1 1 d . . . . .
S20 S 0.77666(16) 0.26110(14) 0.47955(14) 0.0402(10) Uani 1 1 d . . . . .
S21 S 0.57891(17) 0.39858(15) 0.27462(15) 0.0436(10) Uani 1 1 d . . . . .
S22 S 0.53898(16) 0.53508(15) 0.68012(14) 0.0398(9) Uani 1 1 d . . . . .
S23 S 0.62312(15) 0.73506(14) 0.52213(13) 0.0364(9) Uani 1 1 d . . . . .
S24 S 0.53202(15) 0.20434(13) 0.40566(13) 0.0356(9) Uani 1 1 d . . . . .
S25 S 0.43920(16) 0.33066(15) 0.35231(14) 0.0412(10) Uani 1 1 d . . . . .
S26 S 0.7733(2) 0.4610(2) 0.28171(18) 0.0633(14) Uani 1 1 d . . . . .
F1 F 0.786(2) 0.1168(17) 0.5976(17) 0.164(18) Uiso 0.5 1 d . . P . .
F1A F 0.8230(9) 0.1151(9) 0.6175(10) 0.103(6) Uiso 0.5 1 d D U P . .
F2 F 0.8281(16) 0.1355(14) 0.6474(14) 0.125(13) Uiso 0.5 1 d . . P . .
F2A F 0.8069(10) 0.1678(10) 0.6693(9) 0.105(6) Uiso 0.5 1 d D U P . .
F3 F 0.7364(6) 0.1268(6) 0.6419(6) 0.119(6) Uiso 1 1 d D U . . .
F4 F 0.8506(12) 0.4673(9) 0.2318(9) 0.179(10) Uiso 1 1 d . . . . .
F5 F 0.7804(9) 0.4507(7) 0.2021(7) 0.137(7) Uiso 1 1 d . . . . .
F6 F 0.7947(7) 0.5166(6) 0.2206(6) 0.109(5) Uiso 1 1 d . . . . .
F7 F 0.5248(11) 0.2620(10) 0.2023(7) 0.199(15) Uani 1 1 d . . . . .
F8 F 0.5726(8) 0.2025(8) 0.2026(6) 0.133(8) Uani 1 1 d . . . . .
F9 F 0.5010(6) 0.2072(6) 0.2379(5) 0.101(5) Uani 1 1 d . . . . .
F10 F 1.0205(4) 0.3446(4) 0.4909(4) 0.054(3) Uani 1 1 d . . . . .
F11 F 0.9737(4) 0.2976(3) 0.5230(4) 0.054(3) Uani 1 1 d . . . . .
F12 F 0.9614(4) 0.3080(3) 0.4575(3) 0.052(3) Uani 1 1 d . . . . .
F13 F 0.7717(10) 0.1258(8) 0.3876(9) 0.196(11) Uiso 1 1 d D U . . .
F14 F 0.7217(11) 0.0649(8) 0.4094(9) 0.199(11) Uiso 1 1 d D U . . .
F15 F 0.6917(15) 0.1076(14) 0.3529(11) 0.38(3) Uiso 1 1 d D U . . .
F16 F 0.4133(10) 0.0869(9) 0.4312(6) 0.167(11) Uani 1 1 d . . . . .
F17 F 0.4444(10) 0.0358(6) 0.4738(7) 0.138(8) Uani 1 1 d . . . . .
F18 F 0.3721(8) 0.0718(8) 0.4854(6) 0.135(8) Uani 1 1 d . . . . .
F19 F 0.4661(8) 0.2222(5) 0.7619(5) 0.107(6) Uani 1 1 d . . . . .
F20 F 0.5057(7) 0.2722(6) 0.7931(5) 0.098(5) Uani 1 1 d . . . . .
F21 F 0.4206(6) 0.2686(5) 0.7954(4) 0.088(5) Uani 1 1 d . . . . .
F22 F 0.8045(5) 0.3076(5) 0.8090(4) 0.077(4) Uani 1 1 d . . . . .
F23 F 0.7491(6) 0.3619(4) 0.8165(4) 0.080(4) Uani 1 1 d . . . . .
F24 F 0.7201(5) 0.2984(5) 0.7999(4) 0.071(3) Uani 1 1 d . . . . .
O1 O 0.7624(8) 0.1649(8) 0.5542(7) 0.065(3) Uani 0.5 1 d D U P . .
O1A O 0.7834(11) 0.2253(9) 0.6514(9) 0.060(7) Uani 0.5 1 d . . P . .
O2 O 0.7342(12) 0.2046(11) 0.5921(12) 0.069(4) Uani 0.5 1 d . U P . .
O2A O 0.7366(6) 0.2178(8) 0.6040(10) 0.067(3) Uani 0.5 1 d D U P . .
O3 O 0.8275(4) 0.2086(5) 0.5883(5) 0.072(3) Uani 1 1 d D U . . .
O4 O 0.8728(4) 0.3454(4) 0.5070(4) 0.039(3) Uani 1 1 d . . . . .
O5 O 0.9244(4) 0.3989(4) 0.4697(4) 0.037(3) Uani 1 1 d . . . . .
O6 O 0.9411(5) 0.3880(4) 0.5440(4) 0.045(3) Uani 1 1 d . . . . .
O7 O 0.7707(5) 0.2972(4) 0.7182(4) 0.048(3) Uani 1 1 d . . . . .
O8 O 0.7218(6) 0.3623(5) 0.7286(5) 0.064(4) Uani 1 1 d . . . . .
O9 O 0.8161(6) 0.3663(5) 0.7406(5) 0.076(5) Uani 1 1 d . . . . .
O10 O 0.5055(5) 0.2888(4) 0.7032(4) 0.050(3) Uani 1 1 d . . . . .
O11 O 0.4094(6) 0.2828(6) 0.7032(5) 0.074(5) Uani 1 1 d . . . . .
O12 O 0.4535(6) 0.3400(5) 0.7433(4) 0.058(4) Uani 1 1 d . . . . .
O13 O 0.4550(8) 0.1020(6) 0.5409(5) 0.088(5) Uani 1 1 d . . . . .
O14 O 0.4337(6) 0.1562(5) 0.4888(6) 0.078(5) Uani 1 1 d . . . . .
O15 O 0.5117(5) 0.1114(5) 0.4796(6) 0.068(4) Uani 1 1 d . . . . .
O16 O 0.6358(5) 0.1253(5) 0.4331(6) 0.096(3) Uani 1 1 d D U . . .
O17 O 0.6819(7) 0.1879(4) 0.4081(6) 0.108(3) Uani 1 1 d D U . . .
O18 O 0.7216(6) 0.1430(6) 0.4584(5) 0.105(3) Uani 1 1 d D U . . .
O19 O 0.5959(6) 0.2099(5) 0.2928(5) 0.065(4) Uani 1 1 d . . . . .
O20 O 0.5424(6) 0.2748(5) 0.2935(5) 0.069(4) Uani 1 1 d . . . . .
O21 O 0.6216(6) 0.2735(5) 0.2511(5) 0.072(4) Uani 1 1 d . . . . .
O22 O 0.7752(13) 0.4166(7) 0.2850(7) 0.151(12) Uani 1 1 d . . . . .
O23 O 0.7207(6) 0.4775(7) 0.2760(6) 0.100(7) Uani 1 1 d . . . . .
O24 O 0.8043(9) 0.4828(7) 0.3116(6) 0.105(7) Uani 1 1 d . . . . .
O25 O 0.6304(4) 0.6114(4) 0.5797(4) 0.038(3) Uani 1 1 d . . . . .
O26 O 0.7427(4) 0.6240(4) 0.5739(4) 0.046(3) Uani 1 1 d . . . . .
O27 O 0.6806(4) 0.6182(4) 0.4990(4) 0.040(3) Uani 1 1 d . . . . .
O28 O 0.7014(4) 0.5416(4) 0.5494(4) 0.040(3) Uani 1 1 d . . . . .
O31 O 0.3260(5) 0.1758(4) 0.5468(5) 0.059(4) Uani 1 1 d . . . . .
O33 O 0.7600(7) 0.5935(6) 0.3043(6) 0.085(5) Uani 1 1 d . . . . .
O34 O 0.7067(5) 0.4666(5) 0.7703(4) 0.055(3) Uani 1 1 d . . . . .
O35 O 0.6120(4) 0.4360(3) 0.5926(3) 0.030(2) Uani 1 1 d . . . . .
O36 O 0.6567(4) 0.3562(3) 0.6103(3) 0.031(2) Uani 1 1 d . . . . .
O37 O 0.5504(4) 0.3637(3) 0.6207(3) 0.026(2) Uani 1 1 d . . . . .
O38 O 0.5275(3) 0.3922(3) 0.5488(3) 0.0200(19) Uani 1 1 d . . . . .
O39 O 0.6348(3) 0.3796(3) 0.5283(3) 0.023(2) Uani 1 1 d . . . . .
O40 O 0.6847(4) 0.2978(3) 0.5333(3) 0.032(2) Uani 1 1 d . . . . .
O41 O 0.5801(3) 0.3156(3) 0.5511(3) 0.023(2) Uani 1 1 d . . . . .
O42 O 0.4506(4) 0.3529(3) 0.4904(3) 0.029(2) Uani 1 1 d . . . . .
O43 O 0.4992(4) 0.2745(3) 0.5087(3) 0.028(2) Uani 1 1 d . . . . .
O44 O 0.4720(3) 0.3283(3) 0.5730(3) 0.027(2) Uani 1 1 d . . . . .
O45 O 0.5005(4) 0.4465(3) 0.6182(3) 0.030(2) Uani 1 1 d . . . . .
O46 O 0.4503(4) 0.3693(3) 0.6443(3) 0.029(2) Uani 1 1 d . . . . .
O47 O 0.4206(4) 0.4098(3) 0.5698(3) 0.028(2) Uani 1 1 d . . . . .
O48 O 0.5138(4) 0.3890(3) 0.4115(3) 0.025(2) Uani 1 1 d . . . . .
O49 O 0.5572(3) 0.3458(3) 0.4795(3) 0.024(2) Uani 1 1 d . . . . .
O50 O 0.5665(4) 0.4781(3) 0.3931(3) 0.031(2) Uani 1 1 d . . . . .
O51 O 0.6033(3) 0.4255(3) 0.4595(3) 0.023(2) Uani 1 1 d . . . . .
O52 O 0.6479(4) 0.5082(4) 0.4445(3) 0.032(2) Uani 1 1 d . . . . .
O53 O 0.6822(3) 0.4572(3) 0.5187(3) 0.027(2) Uani 1 1 d . . . . .
O54 O 0.6124(4) 0.2659(3) 0.4773(3) 0.033(2) Uani 1 1 d . . . . .
O55 O 0.5777(4) 0.3180(3) 0.3984(3) 0.031(2) Uani 1 1 d . . . . .
O56 O 0.6557(4) 0.3477(3) 0.4590(3) 0.026(2) Uani 1 1 d . . . . .
O57 O 0.6729(4) 0.4719(3) 0.3674(3) 0.029(2) Uani 1 1 d . . . . .
O58 O 0.7005(3) 0.4286(3) 0.4372(3) 0.028(2) Uani 1 1 d . . . . .
O59 O 0.6213(3) 0.3973(3) 0.3878(3) 0.024(2) Uani 1 1 d . . . . .
O60 O 0.7420(3) 0.3830(3) 0.5034(3) 0.027(2) Uani 1 1 d . . . . .
N1 N 0.2906(9) 0.1096(7) 0.5576(9) 0.097(8) Uani 1 1 d . . . . .
N3 N 0.7866(9) 0.4766(7) 0.8059(7) 0.080(6) Uani 1 1 d . . . . .
N4 N 0.8267(9) 0.6116(8) 0.2607(8) 0.090(7) Uani 1 1 d D . . . .
C1 C 0.5717(12) 0.3845(13) 0.7859(8) 0.113(5) Uani 1 1 d . U . . .
H1 H 0.5548 0.3563 0.7796 0.135 Uiso 1 1 calc R . . . .
C2 C 0.6150(12) 0.3689(13) 0.8030(8) 0.115(5) Uani 1 1 d . U . . .
H2A H 0.6398 0.3930 0.8064 0.138 Uiso 1 1 calc R . . . .
H2B H 0.6306 0.3486 0.7833 0.138 Uiso 1 1 calc R . . . .
C3 C 0.6109(13) 0.3448(13) 0.8461(8) 0.116(5) Uani 1 1 d . U . . .
H3A H 0.6000 0.3146 0.8416 0.139 Uiso 1 1 calc R . . . .
H3B H 0.6456 0.3445 0.8598 0.139 Uiso 1 1 calc R . . . .
C4 C 0.5735(12) 0.3662(13) 0.8725(8) 0.116(5) Uani 1 1 d . U . . .
H4A H 0.5639 0.3458 0.8944 0.139 Uiso 1 1 calc R . . . .
H4B H 0.5914 0.3907 0.8859 0.139 Uiso 1 1 calc R . . . .
C5 C 0.5272(12) 0.3817(13) 0.8546(8) 0.114(5) Uani 1 1 d . U . . .
H5A H 0.5123 0.4029 0.8739 0.137 Uiso 1 1 calc R . . . .
H5B H 0.5025 0.3574 0.8531 0.137 Uiso 1 1 calc R . . . .
C6 C 0.5275(12) 0.4030(13) 0.8123(8) 0.112(5) Uani 1 1 d . U . . .
H6A H 0.5323 0.4344 0.8154 0.135 Uiso 1 1 calc R . . . .
H6B H 0.4936 0.3980 0.7984 0.135 Uiso 1 1 calc R . . . .
C7 C 0.5646(7) 0.5518(7) 0.7299(6) 0.058(6) Uani 1 1 d . . . . .
H7 H 0.5522 0.5820 0.7338 0.070 Uiso 1 1 calc R . . . .
C8 C 0.6223(7) 0.5535(7) 0.7354(6) 0.048(4) Uani 1 1 d . . . . .
H8A H 0.6370 0.5731 0.7147 0.057 Uiso 1 1 calc R . . . .
H8B H 0.6368 0.5245 0.7305 0.057 Uiso 1 1 calc R . . . .
C9 C 0.6398(7) 0.5688(7) 0.7786(6) 0.052(5) Uani 1 1 d . . . . .
H9A H 0.6783 0.5686 0.7805 0.062 Uiso 1 1 calc R . . . .
H9B H 0.6278 0.5987 0.7830 0.062 Uiso 1 1 calc R . . . .
C10 C 0.6176(8) 0.5400(7) 0.8118(6) 0.056(5) Uani 1 1 d . . . . .
H10A H 0.6286 0.5509 0.8390 0.067 Uiso 1 1 calc R . . . .
H10B H 0.6317 0.5106 0.8088 0.067 Uiso 1 1 calc R . . . .
C11 C 0.5580(8) 0.5385(7) 0.8093(6) 0.053(5) Uani 1 1 d . . . . .
H11A H 0.5438 0.5673 0.8157 0.064 Uiso 1 1 calc R . . . .
H11B H 0.5449 0.5181 0.8301 0.064 Uiso 1 1 calc R . . . .
C12 C 0.5382(8) 0.5243(7) 0.7663(5) 0.048(4) Uani 1 1 d . . . . .
H12A H 0.4999 0.5279 0.7647 0.057 Uiso 1 1 calc R . . . .
H12B H 0.5461 0.4935 0.7623 0.057 Uiso 1 1 calc R . . . .
C13 C 0.3610(7) 0.4482(6) 0.7545(5) 0.039(4) Uani 1 1 d . . . . .
H13 H 0.3256 0.4617 0.7540 0.047 Uiso 1 1 calc R . . . .
C14 C 0.3952(8) 0.4779(7) 0.7806(6) 0.052(5) Uani 1 1 d . . . . .
H14A H 0.3924 0.5078 0.7704 0.062 Uiso 1 1 calc R . . . .
H14B H 0.4321 0.4689 0.7788 0.062 Uiso 1 1 calc R . . . .
C15 C 0.3771(10) 0.4757(9) 0.8256(7) 0.080(8) Uani 1 1 d . . . . .
H15A H 0.4037 0.4901 0.8430 0.096 Uiso 1 1 calc R . . . .
H15B H 0.3445 0.4924 0.8279 0.096 Uiso 1 1 calc R . . . .
C16 C 0.3679(10) 0.4322(8) 0.8426(6) 0.069(6) Uani 1 1 d . . . . .
H16A H 0.3508 0.4351 0.8695 0.082 Uiso 1 1 calc R . . . .
H16B H 0.4019 0.4179 0.8473 0.082 Uiso 1 1 calc R . . . .
C17 C 0.3336(9) 0.4030(8) 0.8147(7) 0.067(6) Uani 1 1 d . . . . .
H17A H 0.3340 0.3733 0.8256 0.080 Uiso 1 1 calc R . . . .
H17B H 0.2972 0.4134 0.8150 0.080 Uiso 1 1 calc R . . . .
C18 C 0.3530(8) 0.4026(7) 0.7707(6) 0.050(5) Uani 1 1 d . . . . .
H18A H 0.3273 0.3874 0.7530 0.060 Uiso 1 1 calc R . . . .
H18B H 0.3863 0.3867 0.7695 0.060 Uiso 1 1 calc R . . . .
C19 C 0.4507(7) 0.1748(6) 0.6341(6) 0.044(4) Uani 1 1 d . . . . .
H19 H 0.4558 0.1486 0.6170 0.053 Uiso 1 1 calc R . . . .
C20 C 0.4891(8) 0.1723(6) 0.6714(6) 0.049(5) Uani 1 1 d . . . . .
H20A H 0.5253 0.1700 0.6616 0.059 Uiso 1 1 calc R . . . .
H20B H 0.4863 0.1988 0.6880 0.059 Uiso 1 1 calc R . . . .
C21 C 0.4757(8) 0.1328(7) 0.6979(8) 0.067(6) Uani 1 1 d . . . . .
H21A H 0.4833 0.1064 0.6822 0.080 Uiso 1 1 calc R . . . .
H21B H 0.4982 0.1328 0.7227 0.080 Uiso 1 1 calc R . . . .
C22 C 0.4183(9) 0.1320(7) 0.7108(7) 0.061(6) Uani 1 1 d . . . . .
H22A H 0.4116 0.1055 0.7267 0.074 Uiso 1 1 calc R . . . .
H22B H 0.4115 0.1569 0.7289 0.074 Uiso 1 1 calc R . . . .
C23 C 0.3810(8) 0.1336(7) 0.6743(7) 0.058(5) Uani 1 1 d . . . . .
H23A H 0.3446 0.1345 0.6838 0.070 Uiso 1 1 calc R . . . .
H23B H 0.3855 0.1077 0.6571 0.070 Uiso 1 1 calc R . . . .
C24 C 0.3937(6) 0.1753(6) 0.6487(6) 0.041(4) Uani 1 1 d . . . . .
H24A H 0.3699 0.1770 0.6247 0.049 Uiso 1 1 calc R . . . .
H24B H 0.3878 0.2011 0.6659 0.049 Uiso 1 1 calc R . . . .
C25 C 0.2592(11) 0.2715(13) 0.5818(13) 0.129(6) Uani 1 1 d . U . . .
H25A H 0.2843 0.2484 0.5888 0.155 Uiso 1 1 calc R . . . .
H25B H 0.2690 0.2827 0.5546 0.155 Uiso 1 1 calc R . . . .
C26 C 0.2664(11) 0.3063(13) 0.6116(13) 0.125(6) Uani 1 1 d . U . . .
H26 H 0.2396 0.3287 0.6056 0.150 Uiso 1 1 calc R . . . .
C27 C 0.2570(10) 0.2897(12) 0.6555(13) 0.127(6) Uani 1 1 d D U . . .
H27A H 0.2561 0.3139 0.6751 0.152 Uiso 1 1 calc R . . . .
H27B H 0.2850 0.2696 0.6640 0.152 Uiso 1 1 calc R . . . .
C28 C 0.2009(12) 0.2321(14) 0.6182(14) 0.135(6) Uani 1 1 d . U . . .
H28A H 0.2308 0.2123 0.6218 0.162 Uiso 1 1 calc R . . . .
H28B H 0.1687 0.2149 0.6204 0.162 Uiso 1 1 calc R . . . .
C29 C 0.2023(10) 0.2657(13) 0.6540(14) 0.137(7) Uani 1 1 d D U . . .
H29A H 0.1965 0.2508 0.6804 0.164 Uiso 1 1 calc R . . . .
H29B H 0.1741 0.2869 0.6500 0.164 Uiso 1 1 calc R . . . .
C30 C 0.2029(11) 0.2503(13) 0.5775(14) 0.132(6) Uani 1 1 d . U . . .
H30A H 0.1752 0.2719 0.5726 0.159 Uiso 1 1 calc R . . . .
H30B H 0.2013 0.2280 0.5559 0.159 Uiso 1 1 calc R . . . .
C31 C 0.6173(6) 0.2317(6) 0.6983(6) 0.043(4) Uani 1 1 d . . . . .
H31 H 0.5793 0.2248 0.6994 0.052 Uiso 1 1 calc R . . . .
C32 C 0.6356(10) 0.2473(9) 0.7413(8) 0.082(8) Uani 1 1 d . . . . .
H32A H 0.6164 0.2737 0.7488 0.099 Uiso 1 1 calc R . . . .
H32B H 0.6732 0.2544 0.7406 0.099 Uiso 1 1 calc R . . . .
C33 C 0.6259(16) 0.2116(10) 0.7741(8) 0.110(11) Uani 1 1 d . . . . .
H33A H 0.6396 0.2211 0.8010 0.132 Uiso 1 1 calc R . . . .
H33B H 0.5880 0.2065 0.7766 0.132 Uiso 1 1 calc R . . . .
C34 C 0.6518(9) 0.1720(10) 0.7619(10) 0.086(9) Uani 1 1 d . . . . .
H34A H 0.6441 0.1495 0.7824 0.103 Uiso 1 1 calc R . . . .
H34B H 0.6899 0.1769 0.7625 0.103 Uiso 1 1 calc R . . . .
C35 C 0.6360(12) 0.1548(8) 0.7189(10) 0.090(9) Uani 1 1 d . . . . .
H35A H 0.5988 0.1465 0.7185 0.108 Uiso 1 1 calc R . . . .
H35B H 0.6571 0.1292 0.7120 0.108 Uiso 1 1 calc R . . . .
C36 C 0.6460(9) 0.1926(8) 0.6862(8) 0.072(7) Uani 1 1 d . . . . .
H36A H 0.6837 0.1989 0.6850 0.086 Uiso 1 1 calc R . . . .
H36B H 0.6342 0.1832 0.6587 0.086 Uiso 1 1 calc R . . . .
C37 C 0.6319(7) 0.1334(5) 0.5651(6) 0.040(4) Uani 1 1 d . . . . .
H37 H 0.6618 0.1371 0.5847 0.048 Uiso 1 1 calc R . . . .
C38 C 0.5842(9) 0.1239(8) 0.5899(7) 0.066(6) Uani 1 1 d . . . . .
H38A H 0.5537 0.1199 0.5715 0.079 Uiso 1 1 calc R . . . .
H38B H 0.5769 0.1481 0.6086 0.079 Uiso 1 1 calc R . . . .
C39 C 0.5948(11) 0.0812(7) 0.6155(8) 0.075(7) Uani 1 1 d . . . . .
H39A H 0.6239 0.0860 0.6351 0.090 Uiso 1 1 calc R . . . .
H39B H 0.5634 0.0736 0.6312 0.090 Uiso 1 1 calc R . . . .
C40 C 0.6086(10) 0.0446(8) 0.5862(8) 0.075(7) Uani 1 1 d . . . . .
H40A H 0.6145 0.0181 0.6024 0.090 Uiso 1 1 calc R . . . .
H40B H 0.5785 0.0393 0.5676 0.090 Uiso 1 1 calc R . . . .
C41 C 0.6555(13) 0.0531(8) 0.5611(11) 0.097(9) Uani 1 1 d . . . . .
H41A H 0.6611 0.0293 0.5415 0.116 Uiso 1 1 calc R . . . .
H41B H 0.6868 0.0556 0.5790 0.116 Uiso 1 1 calc R . . . .
C42 C 0.6455(10) 0.0976(7) 0.5368(9) 0.077(7) Uani 1 1 d . . . . .
H42A H 0.6773 0.1054 0.5215 0.092 Uiso 1 1 calc R . . . .
H42B H 0.6168 0.0935 0.5166 0.092 Uiso 1 1 calc R . . . .
C43 C 0.8341(13) 0.2293(13) 0.4591(9) 0.117(5) Uani 1 1 d . U . . .
H43 H 0.8592 0.2539 0.4580 0.140 Uiso 1 1 calc R . . . .
C44 C 0.8602(12) 0.2062(13) 0.4863(9) 0.119(5) Uani 1 1 d . U . . .
H44A H 0.8374 0.1826 0.4959 0.143 Uiso 1 1 calc R . . . .
H44B H 0.8686 0.2245 0.5102 0.143 Uiso 1 1 calc R . . . .
C45 C 0.9136(13) 0.1855(13) 0.4696(9) 0.121(5) Uani 1 1 d . U . . .
H45A H 0.9412 0.2078 0.4689 0.145 Uiso 1 1 calc R . . . .
H45B H 0.9253 0.1622 0.4881 0.145 Uiso 1 1 calc R . . . .
C46 C 0.9039(13) 0.1683(13) 0.4278(9) 0.121(5) Uani 1 1 d . U . . .
H46A H 0.9375 0.1592 0.4161 0.145 Uiso 1 1 calc R . . . .
H46B H 0.8815 0.1426 0.4298 0.145 Uiso 1 1 calc R . . . .
C47 C 0.8800(13) 0.1980(12) 0.4008(9) 0.119(5) Uani 1 1 d . U . . .
H47A H 0.8709 0.1825 0.3752 0.143 Uiso 1 1 calc R . . . .
H47B H 0.9062 0.2200 0.3937 0.143 Uiso 1 1 calc R . . . .
C48 C 0.8310(12) 0.2216(12) 0.4152(9) 0.117(5) Uani 1 1 d . U . . .
H48A H 0.8276 0.2493 0.4005 0.141 Uiso 1 1 calc R . . . .
H48B H 0.7998 0.2040 0.4088 0.141 Uiso 1 1 calc R . . . .
C49 C 0.8591(6) 0.3832(5) 0.3641(5) 0.034(3) Uani 1 1 d . . . . .
H49 H 0.8454 0.3812 0.3354 0.040 Uiso 1 1 calc R . . . .
C50 C 0.8846(7) 0.3388(6) 0.3756(5) 0.042(4) Uani 1 1 d . . . . .
H50A H 0.8952 0.3391 0.4048 0.050 Uiso 1 1 calc R . . . .
H50B H 0.8587 0.3156 0.3716 0.050 Uiso 1 1 calc R . . . .
C51 C 0.9323(7) 0.3301(7) 0.3490(6) 0.054(5) Uani 1 1 d . . . . .
H51A H 0.9208 0.3262 0.3202 0.065 Uiso 1 1 calc R . . . .
H51B H 0.9493 0.3032 0.3582 0.065 Uiso 1 1 calc R . . . .
C52 C 0.9725(6) 0.3680(8) 0.3515(7) 0.060(6) Uani 1 1 d . . . . .
H52A H 0.9866 0.3700 0.3798 0.072 Uiso 1 1 calc R . . . .
H52B H 1.0019 0.3618 0.3331 0.072 Uiso 1 1 calc R . . . .
C53 C 0.9483(7) 0.4101(7) 0.3397(6) 0.053(5) Uani 1 1 d . . . . .
H53A H 0.9378 0.4090 0.3104 0.063 Uiso 1 1 calc R . . . .
H53B H 0.9745 0.4332 0.3430 0.063 Uiso 1 1 calc R . . . .
C54 C 0.8990(6) 0.4212(6) 0.3663(5) 0.037(4) Uani 1 1 d . . . . .
H54A H 0.9098 0.4262 0.3951 0.044 Uiso 1 1 calc R . . . .
H54B H 0.8824 0.4478 0.3558 0.044 Uiso 1 1 calc R . . . .
C55 C 0.7358(12) 0.2760(10) 0.3219(10) 0.099(4) Uani 1 1 d . U . . .
H55 H 0.7655 0.2802 0.3416 0.118 Uiso 1 1 calc R . . . .
C56 C 0.7412(11) 0.2320(10) 0.3127(10) 0.102(4) Uani 1 1 d . U . . .
H56A H 0.7102 0.2218 0.2972 0.122 Uiso 1 1 calc R . . . .
H56B H 0.7442 0.2152 0.3383 0.122 Uiso 1 1 calc R . . . .
C57 C 0.7926(12) 0.2253(11) 0.2858(10) 0.103(4) Uani 1 1 d . U . . .
H57A H 0.8236 0.2252 0.3041 0.124 Uiso 1 1 calc R . . . .
H57B H 0.7907 0.1971 0.2719 0.124 Uiso 1 1 calc R . . . .
C58 C 0.7984(12) 0.2593(10) 0.2549(10) 0.103(4) Uani 1 1 d . U . . .
H58A H 0.8342 0.2567 0.2444 0.124 Uiso 1 1 calc R . . . .
H58B H 0.7746 0.2517 0.2320 0.124 Uiso 1 1 calc R . . . .
C59 C 0.7908(11) 0.3010(10) 0.2623(10) 0.101(4) Uani 1 1 d . U . . .
H59A H 0.7844 0.3156 0.2358 0.121 Uiso 1 1 calc R . . . .
H59B H 0.8235 0.3130 0.2740 0.121 Uiso 1 1 calc R . . . .
C60 C 0.7463(11) 0.3125(10) 0.2911(10) 0.098(4) Uani 1 1 d . U . . .
H60A H 0.7143 0.3181 0.2748 0.117 Uiso 1 1 calc R . . . .
H60B H 0.7553 0.3391 0.3063 0.117 Uiso 1 1 calc R . . . .
C61 C 0.8962(6) 0.4833(6) 0.5877(5) 0.036(4) Uani 1 1 d . . . . .
H61A H 0.8701 0.4806 0.6096 0.044 Uiso 1 1 calc R . . . .
H61B H 0.9095 0.4542 0.5813 0.044 Uiso 1 1 calc R . . . .
C62 C 0.8703(6) 0.5036(5) 0.5485(5) 0.034(4) Uani 1 1 d . . . . .
H62 H 0.8564 0.5325 0.5560 0.040 Uiso 1 1 calc R . . . .
C63 C 0.9109(6) 0.5097(5) 0.5144(5) 0.035(4) Uani 1 1 d . . . . .
H63A H 0.8938 0.5228 0.4900 0.042 Uiso 1 1 calc R . . . .
H63B H 0.9250 0.4814 0.5063 0.042 Uiso 1 1 calc R . . . .
C64 C 0.9566(6) 0.5395(6) 0.5297(5) 0.041(4) Uani 1 1 d . . . . .
H64A H 0.9429 0.5684 0.5363 0.049 Uiso 1 1 calc R . . . .
H64B H 0.9826 0.5427 0.5078 0.049 Uiso 1 1 calc R . . . .
C65 C 0.9837(6) 0.5190(6) 0.5694(6) 0.045(4) Uani 1 1 d . . . . .
H65A H 0.9997 0.4911 0.5624 0.055 Uiso 1 1 calc R . . . .
H65B H 1.0115 0.5384 0.5798 0.055 Uiso 1 1 calc R . . . .
C66 C 0.9422(7) 0.5124(7) 0.6029(6) 0.052(5) Uani 1 1 d . . . . .
H66A H 0.9282 0.5408 0.6111 0.062 Uiso 1 1 calc R . . . .
H66B H 0.9588 0.4992 0.6272 0.062 Uiso 1 1 calc R . . . .
C67 C 0.7446(7) 0.5070(6) 0.6809(6) 0.044(4) Uani 1 1 d . . . . .
H67 H 0.7295 0.5132 0.7084 0.053 Uiso 1 1 calc R . . . .
C68 C 0.7986(7) 0.4857(7) 0.6868(7) 0.053(5) Uani 1 1 d . . . . .
H68A H 0.8122 0.4773 0.6597 0.064 Uiso 1 1 calc R . . . .
H68B H 0.7947 0.4593 0.7033 0.064 Uiso 1 1 calc R . . . .
C69 C 0.8387(8) 0.5166(8) 0.7086(9) 0.077(8) Uani 1 1 d . . . . .
H69A H 0.8275 0.5219 0.7370 0.093 Uiso 1 1 calc R . . . .
H69B H 0.8733 0.5026 0.7097 0.093 Uiso 1 1 calc R . . . .
C70 C 0.8429(7) 0.5594(7) 0.6859(9) 0.071(7) Uani 1 1 d . . . . .
H70A H 0.8585 0.5545 0.6587 0.085 Uiso 1 1 calc R . . . .
H70B H 0.8663 0.5789 0.7014 0.085 Uiso 1 1 calc R . . . .
C71 C 0.7885(8) 0.5813(7) 0.6802(8) 0.064(6) Uani 1 1 d . . . . .
H71A H 0.7923 0.6083 0.6645 0.077 Uiso 1 1 calc R . . . .
H71B H 0.7740 0.5885 0.7073 0.077 Uiso 1 1 calc R . . . .
C72 C 0.7499(7) 0.5501(6) 0.6566(6) 0.044(4) Uani 1 1 d . . . . .
H72A H 0.7153 0.5639 0.6536 0.053 Uiso 1 1 calc R . . . .
H72B H 0.7633 0.5441 0.6288 0.053 Uiso 1 1 calc R . . . .
C73 C 0.8559(5) 0.3319(6) 0.6409(5) 0.038(4) Uani 1 1 d . . . . .
H73 H 0.8504 0.3160 0.6670 0.046 Uiso 1 1 calc R . . . .
C74 C 0.8950(7) 0.3067(8) 0.6153(6) 0.056(5) Uani 1 1 d . . . . .
H74A H 0.8989 0.3206 0.5883 0.068 Uiso 1 1 calc R . . . .
H74B H 0.8819 0.2771 0.6108 0.068 Uiso 1 1 calc R . . . .
C75 C 0.9497(8) 0.3049(10) 0.6381(8) 0.077(8) Uani 1 1 d . . . . .
H75A H 0.9468 0.2873 0.6632 0.093 Uiso 1 1 calc R . . . .
H75B H 0.9756 0.2911 0.6202 0.093 Uiso 1 1 calc R . . . .
C76 C 0.9682(8) 0.3504(9) 0.6496(7) 0.069(7) Uani 1 1 d . . . . .
H76A H 1.0014 0.3482 0.6653 0.083 Uiso 1 1 calc R . . . .
H76B H 0.9753 0.3666 0.6242 0.083 Uiso 1 1 calc R . . . .
C77 C 0.9301(8) 0.3749(8) 0.6744(7) 0.067(6) Uani 1 1 d . . . . .
H77A H 0.9437 0.4042 0.6796 0.080 Uiso 1 1 calc R . . . .
H77B H 0.9256 0.3605 0.7011 0.080 Uiso 1 1 calc R . . . .
C78 C 0.8760(8) 0.3779(7) 0.6516(7) 0.058(5) Uani 1 1 d . . . . .
H78A H 0.8505 0.3926 0.6693 0.070 Uiso 1 1 calc R . . . .
H78B H 0.8796 0.3949 0.6262 0.070 Uiso 1 1 calc R . . . .
C79 C 0.6034(12) 0.3773(11) 0.2217(8) 0.092(4) Uani 1 1 d . U . . .
H79 H 0.6068 0.3453 0.2240 0.110 Uiso 1 1 calc R . . . .
C80 C 0.5641(12) 0.3858(10) 0.1911(8) 0.094(4) Uani 1 1 d . U . . .
H80A H 0.5585 0.4172 0.1885 0.112 Uiso 1 1 calc R . . . .
H80B H 0.5307 0.3724 0.1991 0.112 Uiso 1 1 calc R . . . .
C81 C 0.5833(12) 0.3662(11) 0.1482(9) 0.095(4) Uani 1 1 d . U . . .
H81A H 0.5859 0.3345 0.1500 0.114 Uiso 1 1 calc R . . . .
H81B H 0.5582 0.3735 0.1260 0.114 Uiso 1 1 calc R . . . .
C82 C 0.6365(12) 0.3854(11) 0.1390(9) 0.095(4) Uani 1 1 d . U . . .
H82A H 0.6486 0.3742 0.1124 0.115 Uiso 1 1 calc R . . . .
H82B H 0.6330 0.4170 0.1365 0.115 Uiso 1 1 calc R . . . .
C83 C 0.6753(12) 0.3756(11) 0.1704(8) 0.094(4) Uani 1 1 d . U . . .
H83A H 0.7093 0.3882 0.1628 0.113 Uiso 1 1 calc R . . . .
H83B H 0.6797 0.3441 0.1728 0.113 Uiso 1 1 calc R . . . .
C84 C 0.6570(12) 0.3950(10) 0.2136(8) 0.092(4) Uani 1 1 d . U . . .
H84A H 0.6815 0.3864 0.2357 0.111 Uiso 1 1 calc R . . . .
H84B H 0.6559 0.4268 0.2124 0.111 Uiso 1 1 calc R . . . .
C85 C 0.3875(6) 0.3028(7) 0.3204(6) 0.049(5) Uani 1 1 d . . . . .
H85 H 0.3847 0.2720 0.3289 0.059 Uiso 1 1 calc R . . . .
C86 C 0.3355(7) 0.3261(7) 0.3285(6) 0.052(5) Uani 1 1 d . . . . .
H86A H 0.3385 0.3569 0.3211 0.063 Uiso 1 1 calc R . . . .
H86B H 0.3269 0.3242 0.3579 0.063 Uiso 1 1 calc R . . . .
C87 C 0.2912(8) 0.3038(8) 0.3017(7) 0.062(6) Uani 1 1 d . . . . .
H87A H 0.2872 0.2736 0.3104 0.075 Uiso 1 1 calc R . . . .
H87B H 0.2577 0.3187 0.3061 0.075 Uiso 1 1 calc R . . . .
C88 C 0.3042(8) 0.3052(9) 0.2571(7) 0.071(7) Uani 1 1 d . . . . .
H88A H 0.3050 0.3354 0.2478 0.085 Uiso 1 1 calc R . . . .
H88B H 0.2766 0.2901 0.2412 0.085 Uiso 1 1 calc R . . . .
C89 C 0.3577(9) 0.2837(9) 0.2484(8) 0.075(7) Uani 1 1 d . . . . .
H89A H 0.3660 0.2868 0.2190 0.091 Uiso 1 1 calc R . . . .
H89B H 0.3559 0.2527 0.2548 0.091 Uiso 1 1 calc R . . . .
C90 C 0.4017(8) 0.3053(7) 0.2750(6) 0.054(5) Uani 1 1 d . . . . .
H90A H 0.4352 0.2904 0.2705 0.065 Uiso 1 1 calc R . . . .
H90B H 0.4058 0.3357 0.2668 0.065 Uiso 1 1 calc R . . . .
C91 C 0.1859(6) 0.4172(5) 0.5917(6) 0.038(4) Uani 1 1 d . . . . .
H91 H 0.1939 0.3960 0.6139 0.045 Uiso 1 1 calc R . . . .
C92 C 0.1369(6) 0.4435(5) 0.6052(6) 0.037(4) Uani 1 1 d . . . . .
H92A H 0.1445 0.4578 0.6317 0.045 Uiso 1 1 calc R . . . .
H92B H 0.1293 0.4660 0.5846 0.045 Uiso 1 1 calc R . . . .
C93 C 0.0890(7) 0.4141(7) 0.6097(6) 0.054(5) Uani 1 1 d . . . . .
H93A H 0.0949 0.3943 0.6330 0.065 Uiso 1 1 calc R . . . .
H93B H 0.0582 0.4320 0.6159 0.065 Uiso 1 1 calc R . . . .
C94 C 0.0781(7) 0.3881(7) 0.5711(7) 0.058(5) Uani 1 1 d . . . . .
H94A H 0.0679 0.4078 0.5486 0.070 Uiso 1 1 calc R . . . .
H94B H 0.0487 0.3683 0.5760 0.070 Uiso 1 1 calc R . . . .
C95 C 0.1269(6) 0.3618(6) 0.5581(7) 0.048(5) Uani 1 1 d . . . . .
H95A H 0.1348 0.3398 0.5792 0.058 Uiso 1 1 calc R . . . .
H95B H 0.1194 0.3468 0.5319 0.058 Uiso 1 1 calc R . . . .
C96 C 0.1747(6) 0.3919(5) 0.5530(5) 0.037(4) Uani 1 1 d . . . . .
H96A H 0.2057 0.3745 0.5460 0.044 Uiso 1 1 calc R . . . .
H96B H 0.1679 0.4121 0.5301 0.044 Uiso 1 1 calc R . . . .
C97 C 0.4966(7) 0.1624(6) 0.3748(6) 0.049(5) Uani 1 1 d . . . . .
H97 H 0.4759 0.1465 0.3956 0.058 Uiso 1 1 calc R . . . .
C98 C 0.4579(11) 0.1788(9) 0.3471(10) 0.094(10) Uani 1 1 d . . . . .
H98A H 0.4747 0.2000 0.3289 0.113 Uiso 1 1 calc R . . . .
H98B H 0.4315 0.1944 0.3633 0.113 Uiso 1 1 calc R . . . .
C99 C 0.4285(10) 0.1444(8) 0.3193(10) 0.092(10) Uani 1 1 d . . . . .
H99A H 0.4039 0.1275 0.3360 0.110 Uiso 1 1 calc R . . . .
H99B H 0.4086 0.1590 0.2972 0.110 Uiso 1 1 calc R . . . .
C100 C 0.4704(12) 0.1146(9) 0.3008(9) 0.090(9) Uani 1 1 d . . . . .
H10C H 0.4936 0.1316 0.2831 0.108 Uiso 1 1 calc R . . . .
H10D H 0.4533 0.0924 0.2837 0.108 Uiso 1 1 calc R . . . .
C101 C 0.5041(10) 0.0921(8) 0.3358(9) 0.076(7) Uani 1 1 d . . . . .
H10E H 0.4814 0.0759 0.3547 0.091 Uiso 1 1 calc R . . . .
H10F H 0.5297 0.0720 0.3239 0.091 Uiso 1 1 calc R . . . .
C102 C 0.5323(8) 0.1294(7) 0.3588(7) 0.061(6) Uani 1 1 d . . . . .
H10G H 0.5528 0.1172 0.3820 0.074 Uiso 1 1 calc R . . . .
H10H H 0.5571 0.1433 0.3400 0.074 Uiso 1 1 calc R . . . .
C103 C 0.6865(8) 0.7604(8) 0.5392(7) 0.064(6) Uani 1 1 d . . . . .
H103 H 0.6991 0.7775 0.5154 0.077 Uiso 1 1 calc R . . . .
C104 C 0.6797(10) 0.7909(9) 0.5726(9) 0.083(8) Uani 1 1 d . . . . .
H10I H 0.6645 0.7760 0.5965 0.100 Uiso 1 1 calc R . . . .
H10J H 0.6554 0.8139 0.5639 0.100 Uiso 1 1 calc R . . . .
C105 C 0.7332(12) 0.8108(10) 0.5850(10) 0.098(10) Uani 1 1 d . . . . .
H10K H 0.7460 0.8285 0.5620 0.118 Uiso 1 1 calc R . . . .
H10L H 0.7283 0.8301 0.6087 0.118 Uiso 1 1 calc R . . . .
C106 C 0.7734(14) 0.7781(12) 0.5957(13) 0.127(14) Uani 1 1 d . . . . .
H10M H 0.7621 0.7613 0.6197 0.152 Uiso 1 1 calc R . . . .
H10N H 0.8066 0.7925 0.6030 0.152 Uiso 1 1 calc R . . . .
C107 C 0.7819(10) 0.7464(9) 0.5570(13) 0.114(13) Uani 1 1 d . . . . .
H10O H 0.7951 0.7625 0.5332 0.137 Uiso 1 1 calc R . . . .
H10P H 0.8071 0.7233 0.5640 0.137 Uiso 1 1 calc R . . . .
C108 C 0.7270(9) 0.7272(10) 0.5475(11) 0.102(11) Uani 1 1 d . . . . .
H10Q H 0.7294 0.7081 0.5233 0.122 Uiso 1 1 calc R . . . .
H10R H 0.7160 0.7094 0.5710 0.122 Uiso 1 1 calc R . . . .
C109 C 0.2405(11) 0.1221(12) 0.5467(17) 0.18(2) Uani 1 1 d . . . . .
H10S H 0.2271 0.1033 0.5250 0.268 Uiso 1 1 calc GR . . . .
H10T H 0.2410 0.1519 0.5369 0.268 Uiso 1 1 calc GR . . . .
H10U H 0.2179 0.1201 0.5706 0.268 Uiso 1 1 calc GR . . . .
C110 C 0.2995(19) 0.0640(9) 0.5701(15) 0.162(19) Uani 1 1 d . . . . .
H11C H 0.2804 0.0580 0.5952 0.243 Uiso 1 1 calc GR . . . .
H11D H 0.3368 0.0592 0.5750 0.243 Uiso 1 1 calc GR . . . .
H11E H 0.2871 0.0448 0.5483 0.243 Uiso 1 1 calc GR . . . .
C111 C 0.3296(10) 0.1378(9) 0.5545(10) 0.088(9) Uani 1 1 d . . . . .
H111 H 0.3638 0.1270 0.5588 0.105 Uiso 1 1 calc R . . . .
C112 C 0.7531(9) 0.4555(8) 0.7786(8) 0.071(7) Uani 1 1 d . . . . .
H112 H 0.7661 0.4307 0.7652 0.086 Uiso 1 1 calc R . . . .
C113 C 0.8404(11) 0.4603(9) 0.8147(11) 0.101(10) Uani 1 1 d . . . . .
H11F H 0.8428 0.4507 0.8432 0.151 Uiso 1 1 calc GR . . . .
H11G H 0.8657 0.4833 0.8101 0.151 Uiso 1 1 calc GR . . . .
H11H H 0.8480 0.4361 0.7964 0.151 Uiso 1 1 calc GR . . . .
C114 C 0.7705(13) 0.5176(11) 0.8244(10) 0.112(12) Uani 1 1 d . . . . .
H11I H 0.7636 0.5387 0.8027 0.167 Uiso 1 1 calc GR . . . .
H11J H 0.7983 0.5283 0.8424 0.167 Uiso 1 1 calc GR . . . .
H11K H 0.7388 0.5132 0.8402 0.167 Uiso 1 1 calc GR . . . .
C118 C 0.8011(13) 0.5857(12) 0.2861(8) 0.105(11) Uani 1 1 d . . . . .
H118 H 0.8160 0.5583 0.2907 0.126 Uiso 1 1 calc R . . . .
C119 C 0.8760(17) 0.6014(12) 0.2406(17) 0.18(2) Uani 1 1 d . . . . .
H11L H 0.8874 0.5725 0.2488 0.275 Uiso 1 1 calc GR . . . .
H11M H 0.9025 0.6224 0.2488 0.275 Uiso 1 1 calc GR . . . .
H11N H 0.8709 0.6023 0.2109 0.275 Uiso 1 1 calc GR . . . .
C120 C 0.7995(14) 0.6497(12) 0.2442(17) 0.20(3) Uani 1 1 d D . . . .
H12C H 0.7627 0.6486 0.2516 0.301 Uiso 1 1 calc GR . . . .
H12D H 0.8024 0.6500 0.2143 0.301 Uiso 1 1 calc GR . . . .
H12E H 0.8154 0.6758 0.2555 0.301 Uiso 1 1 calc GR . . . .
C127 C 0.4195(14) 0.0754(12) 0.4698(10) 0.099(10) Uani 1 1 d . . . . .
C128 C 0.7188(9) 0.1087(7) 0.3930(8) 0.104(3) Uiso 1 1 d D U . . .
C129 C 0.7857(7) 0.1478(7) 0.6316(7) 0.102(6) Uiso 1 1 d D U . . .
C130 C 0.9721(6) 0.3272(6) 0.4933(6) 0.039(4) Uani 1 1 d . . . . .
C131 C 0.5408(14) 0.2303(11) 0.2271(9) 0.100(11) Uani 1 1 d . . . . .
C132 C 0.8031(10) 0.4756(11) 0.2308(8) 0.082(8) Uani 1 1 d . . . . .
C133 C 0.4626(12) 0.2616(8) 0.7712(8) 0.074(8) Uani 1 1 d . . . . .
C134 C 0.7596(8) 0.3266(6) 0.7946(7) 0.055(5) Uani 1 1 d . . . . .
O29 O 0.9504(10) 0.5282(10) 0.7834(9) 0.140(10) Uani 1 1 d . . . . .
H29 H 0.9603 0.5102 0.8008 0.210 Uiso 1 1 calc GR . . . .
C121 C 1.049(2) 0.4810(17) 0.7053(14) 0.17(2) Uani 1 1 d . . . . .
H12F H 1.0351 0.4894 0.6783 0.260 Uiso 1 1 calc GR . . . .
H12G H 1.0617 0.4514 0.7041 0.260 Uiso 1 1 calc GR . . . .
H12H H 1.0774 0.5003 0.7132 0.260 Uiso 1 1 calc GR . . . .
C122 C 1.002(2) 0.4842(10) 0.7391(11) 0.140(17) Uani 1 1 d . . . . .
H12I H 0.9727 0.4666 0.7293 0.168 Uiso 1 1 calc R . . . .
H12J H 1.0153 0.4711 0.7649 0.168 Uiso 1 1 calc R . . . .
C123 C 0.9839(14) 0.5260(11) 0.7480(11) 0.106(10) Uani 1 1 d . . . . .
H12K H 0.9644 0.5369 0.7238 0.127 Uiso 1 1 calc R . . . .
H12L H 1.0141 0.5452 0.7526 0.127 Uiso 1 1 calc R . . . .
O30 O 0.8487(6) 0.6064(5) 0.5829(7) 0.079(5) Uani 1 1 d . . . . .
H30 H 0.8178 0.6137 0.5868 0.118 Uiso 1 1 calc GR . . . .
C124 C 0.9177(10) 0.7127(8) 0.6108(10) 0.082(8) Uani 1 1 d . . . . .
H12M H 0.9063 0.7286 0.5864 0.122 Uiso 1 1 calc GR . . . .
H12N H 0.9539 0.7035 0.6076 0.122 Uiso 1 1 calc GR . . . .
H12O H 0.9151 0.7314 0.6349 0.122 Uiso 1 1 calc GR . . . .
C125 C 0.8812(8) 0.6714(7) 0.6167(7) 0.055(5) Uani 1 1 d . . . . .
H12P H 0.8942 0.6542 0.6402 0.066 Uiso 1 1 calc R . . . .
H12Q H 0.8452 0.6808 0.6228 0.066 Uiso 1 1 calc R . . . .
C126 C 0.8808(8) 0.6445(8) 0.5790(9) 0.075(7) Uani 1 1 d . . . . .
H12R H 0.8676 0.6619 0.5558 0.090 Uiso 1 1 calc R . . . .
H12S H 0.9169 0.6357 0.5729 0.090 Uiso 1 1 calc R . . . .
O32 O 0.5286(15) -0.0281(9) 0.3487(10) 0.203(15) Uani 1 1 d D U . . .
N2 N 0.5759(10) 0.0066(6) 0.3972(7) 0.135(8) Uani 1 1 d D U . . .
C115 C 0.5812(15) 0.0193(10) 0.4437(8) 0.116(11) Uani 1 1 d D U . . .
H11O H 0.5839 -0.0069 0.4604 0.174 Uiso 1 1 calc GR . . . .
H11P H 0.5505 0.0357 0.4519 0.174 Uiso 1 1 calc GR . . . .
H11Q H 0.6125 0.0368 0.4478 0.174 Uiso 1 1 calc GR . . . .
C116 C 0.6176(17) 0.0213(15) 0.3650(12) 0.19(2) Uani 1 1 d D U . . .
H11R H 0.6342 0.0479 0.3743 0.291 Uiso 1 1 calc GR . . . .
H11S H 0.6005 0.0261 0.3384 0.291 Uiso 1 1 calc GR . . . .
H11T H 0.6441 -0.0012 0.3622 0.291 Uiso 1 1 calc GR . . . .
C117 C 0.5263(12) -0.0211(8) 0.3871(10) 0.136(8) Uani 1 1 d D U . . .
H117 H 0.5004 -0.0306 0.4055 0.163 Uiso 1 1 calc R . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 Ag1A 0.946(17) . ?
Ag1 Ag14 2.863(2) 3_666 ?
Ag1 S10 2.489(5) . ?
Ag1 S11 2.603(4) . ?
Ag1 O12 2.491(14) . ?
Ag1 O46 2.477(11) . ?
Ag1A Ag2 2.747(18) . ?
Ag1A Mo1 3.186(16) . ?
Ag1A S10 2.046(16) . ?
Ag1A O12 2.52(2) . ?
Ag1A O46 2.264(19) . ?
Ag2 Ag3 3.142(2) . ?
Ag2 Ag40 3.2065(18) . ?
Ag2 S8 2.461(4) . ?
Ag2 S10 2.407(5) . ?
Ag2 O37 2.541(9) . ?
Ag3 Ag4 3.058(2) . ?
Ag3 Ag31 3.255(2) . ?
Ag3 S10 2.441(4) . ?
Ag3 S14 2.536(5) . ?
Ag3 O34 2.458(14) . ?
Ag4 Ag5 3.076(2) . ?
Ag4 Ag6 3.2410(18) . ?
Ag4 Ag39 3.3038(18) 3_666 ?
Ag4 S14 2.570(4) . ?
Ag4 S22 2.395(4) . ?
Ag4 O35 2.340(11) . ?
Ag5 Ag37 2.8523(19) 3_666 ?
Ag5 S22 2.400(5) . ?
Ag5 S25 2.722(5) 3_666 ?
Ag5 O25 2.252(11) . ?
Ag6 Ag7 2.7201(16) . ?
Ag6 Ag8 3.2968(15) . ?
Ag6 Ag37 2.9090(16) 3_666 ?
Ag6 Ag38 2.8920(15) . ?
Ag6 Ag39 2.7424(14) 3_666 ?
Ag6 O28 2.490(11) . ?
Ag6 O35 2.432(10) . ?
Ag6 O53 2.357(10) . ?
Ag7 Ag37 2.6588(17) 3_666 ?
Ag7 Ag38 2.7954(15) . ?
Ag7 Ag38 2.8465(14) 3_666 ?
Ag7 Ag39 2.8882(15) . ?
Ag7 O47 2.284(10) 3_666 ?
Ag7 O52 2.309(10) . ?
Ag8 Ag11 3.3289(17) . ?
Ag8 Ag30 2.9816(17) . ?
Ag8 Ag31 2.9681(17) . ?
Ag8 S14 2.476(4) . ?
Ag8 S17 2.557(4) . ?
Ag8 O28 2.454(11) . ?
Ag8 O53 2.437(10) . ?
Ag9 Ag22 3.1263(19) 3_666 ?
Ag9 Ag24 3.143(2) 3_666 ?
Ag9 Ag25 3.1818(17) 3_666 ?
Ag9 S12 2.511(4) 3_666 ?
Ag9 S23 2.487(4) . ?
Ag9 O27 2.424(11) . ?
Ag10 Ag18 3.0106(19) 3_666 ?
Ag10 Ag20 2.9822(18) 3_666 ?
Ag10 Ag37 3.3621(18) 3_666 ?
Ag10 S23 2.476(4) . ?
Ag10 S25 2.488(5) 3_666 ?
Ag10 O25 2.454(11) . ?
Ag10 O42 2.515(10) 3_666 ?
Ag11 Ag12 3.2245(18) . ?
Ag11 Ag32 3.2766(17) . ?
Ag11 S13 2.486(4) 3_666 ?
Ag11 S17 2.585(4) . ?
Ag11 O28 2.568(11) . ?
Ag12 Ag13 3.1892(17) . ?
Ag12 Ag32 2.9118(17) . ?
Ag12 S13 2.444(4) 3_666 ?
Ag12 S19 2.454(4) . ?
Ag13 Ag25 3.0835(19) 3_666 ?
Ag13 Ag26 2.833(2) 3_666 ?
Ag13 S11 2.621(4) 3_666 ?
Ag13 S13 2.550(4) 3_666 ?
Ag13 O33 2.413(16) . ?
Ag13 O57 2.466(10) . ?
Ag14 Ag1 2.862(2) 3_666 ?
Ag14 Ag15 3.100(2) . ?
Ag14 S11 2.450(4) 3_666 ?
Ag14 S22 2.445(4) 3_666 ?
Ag14 O50 2.425(10) . ?
Ag15 Ag17 3.006(2) . ?
Ag15 S21 2.389(5) . ?
Ag15 O23 2.406(15) . ?
Ag15 O57 2.211(10) . ?
Ag16 Ag17 2.8999(19) . ?
Ag16 Ag18 3.286(2) . ?
Ag16 S21 2.415(5) . ?
Ag16 S25 2.413(5) . ?
Ag17 Ag33 3.0020(18) . ?
Ag17 S4 2.428(4) . ?
Ag17 S21 2.427(5) . ?
Ag18 Ag10 3.0106(19) 3_666 ?
Ag18 Ag19 3.1461(19) . ?
Ag18 Ag20 2.9306(19) . ?
Ag18 S24 2.468(4) . ?
Ag18 S25 2.434(4) . ?
Ag18 O55 2.398(10) . ?
Ag19 Ag35 3.259(2) . ?
Ag19 S4 2.505(4) . ?
Ag19 S24 2.513(4) . ?
Ag19 O17 2.464(14) . ?
Ag19 O19 2.600(16) . ?
Ag20 Ag10 2.9824(18) 3_666 ?
Ag20 Ag21 3.3300(18) . ?
Ag20 Ag22 3.2885(19) . ?
Ag20 S23 2.508(4) 3_666 ?
Ag20 S24 2.471(4) . ?
Ag20 O43 2.422(10) . ?
Ag21 Ag23 2.9961(19) . ?
Ag21 S2 2.458(5) . ?
Ag21 S24 2.473(5) . ?
Ag21 O15 2.519(14) . ?
Ag21 O16 2.526(17) . ?
Ag22 Ag9 3.1263(19) 3_666 ?
Ag22 Ag24 3.110(2) . ?
Ag22 S7 2.448(5) . ?
Ag22 S23 2.501(5) 3_666 ?
Ag22 O31 2.390(13) . ?
Ag23 Ag36 2.9241(18) . ?
Ag23 Ag40 3.1157(19) . ?
Ag23 S2 2.455(4) . ?
Ag23 S7 2.467(4) . ?
Ag23 O43 2.372(10) . ?
Ag24 Ag9 3.143(2) 3_666 ?
Ag24 Ag40 3.1555(17) . ?
Ag24 S7 2.427(4) . ?
Ag24 S12 2.420(4) . ?
Ag25 Ag9 3.1818(17) 3_666 ?
Ag25 Ag13 3.0835(19) 3_666 ?
Ag25 Ag26 3.1099(19) . ?
Ag25 S12 2.618(4) . ?
Ag25 S13 2.476(4) . ?
Ag25 O27 2.505(11) 3_666 ?
Ag25 O47 2.363(9) . ?
Ag26 Ag13 2.833(2) 3_666 ?
Ag26 S11 2.452(5) . ?
Ag26 S12 2.431(5) . ?
Ag26 O46 2.435(9) . ?
Ag27 Ag35 3.254(2) . ?
Ag27 S2 2.479(4) . ?
Ag27 S20 2.469(5) . ?
Ag27 O1 2.43(3) . ?
Ag27 O18 2.543(19) . ?
Ag28 Ag31 3.2781(19) . ?
Ag28 Ag36 3.2147(19) . ?
Ag28 S8 2.454(4) . ?
Ag28 S16 2.517(4) . ?
Ag28 O1A 2.53(3) . ?
Ag28 O7 2.492(12) . ?
Ag29 Ag30 3.1912(18) . ?
Ag29 Ag34 3.3223(18) . ?
Ag29 S16 2.422(4) . ?
Ag29 S20 2.452(5) . ?
Ag29 O40 2.510(10) . ?
Ag30 Ag31 2.9897(17) . ?
Ag30 S16 2.475(4) . ?
Ag30 S17 2.476(4) . ?
Ag30 O60 2.486(9) . ?
Ag31 S14 2.445(4) . ?
Ag31 S16 2.459(4) . ?
Ag31 O36 2.510(10) . ?
Ag32 Ag34 3.0756(17) . ?
Ag32 S17 2.455(4) . ?
Ag32 S19 2.467(4) . ?
Ag32 O5 2.583(10) . ?
Ag33 Ag34 3.1291(17) . ?
Ag33 Ag35 3.0148(19) . ?
Ag33 S4 2.578(4) . ?
Ag33 S19 2.530(4) . ?
Ag33 O58 2.558(11) . ?
Ag33 O59 2.440(9) . ?
Ag34 Ag35 2.9574(18) . ?
Ag34 S19 2.509(4) . ?
Ag34 S20 2.507(5) . ?
Ag34 O60 2.447(10) . ?
Ag35 S4 2.469(5) . ?
Ag35 S20 2.467(4) . ?
Ag36 Ag40 3.0786(18) . ?
Ag36 S2 2.508(5) . ?
Ag36 S8 2.453(4) . ?
Ag37 Ag5 2.8523(19) 3_666 ?
Ag37 Ag6 2.9090(16) 3_666 ?
Ag37 Ag7 2.6587(17) 3_666 ?
Ag37 Ag10 3.3621(18) 3_666 ?
Ag37 Ag38 2.8665(15) . ?
Ag37 Ag39 2.6880(16) . ?
Ag37 O25 2.421(11) 3_666 ?
Ag37 O42 2.306(10) . ?
Ag37 O48 2.379(10) . ?
Ag38 Ag7 2.8466(14) 3_666 ?
Ag38 Ag39 2.8526(15) 3_666 ?
Ag38 Ag39 2.9804(15) . ?
Ag38 O38 2.350(9) . ?
Ag38 O51 2.341(9) . ?
Ag39 Ag4 3.3036(18) 3_666 ?
Ag39 Ag6 2.7424(14) 3_666 ?
Ag39 Ag38 2.8526(15) 3_666 ?
Ag39 O45 2.334(10) 3_666 ?
Ag39 O50 2.311(10) . ?
Ag40 S7 2.608(4) . ?
Ag40 S8 2.648(4) . ?
Ag40 O37 2.495(10) . ?
Mo1 O37 2.162(9) . ?
Mo1 O38 2.074(9) . ?
Mo1 O44 2.204(10) . ?
Mo1 O45 1.778(10) . ?
Mo1 O46 1.769(9) . ?
Mo1 O47 1.776(9) . ?
Mo2 O35 1.749(10) . ?
Mo2 O36 1.743(10) . ?
Mo2 O37 1.853(9) . ?
Mo2 O38 2.227(9) . ?
Mo2 O39 1.956(9) . ?
Mo2 O41 2.293(9) . ?
Mo3 O25 1.810(11) . ?
Mo3 O26 1.723(11) . ?
Mo3 O27 1.742(12) . ?
Mo3 O28 1.773(12) . ?
Mo4 O39 1.956(9) . ?
Mo4 O51 2.241(8) . ?
Mo4 O53 1.759(10) . ?
Mo4 O56 2.193(10) . ?
Mo4 O58 1.825(10) . ?
Mo4 O60 1.759(9) . ?
Mo5 O48 1.746(9) . ?
Mo5 O49 1.956(9) . ?
Mo5 O51 2.182(10) . ?
Mo5 O55 1.741(11) . ?
Mo5 O56 2.353(9) . ?
Mo5 O59 1.862(9) . ?
Mo6 O39 2.173(9) . ?
Mo6 O40 1.739(10) . ?
Mo6 O41 1.935(9) . ?
Mo6 O49 2.197(9) . ?
Mo6 O54 1.728(10) . ?
Mo6 O56 1.937(9) . ?
Mo7 O38 2.163(9) . ?
Mo7 O41 2.219(9) . ?
Mo7 O42 1.757(10) . ?
Mo7 O43 1.765(9) . ?
Mo7 O44 1.832(10) . ?
Mo7 O49 1.988(9) . ?
Mo8 O50 1.765(9) . ?
Mo8 O51 2.046(9) . ?
Mo8 O52 1.778(11) . ?
Mo8 O57 1.798(10) . ?
Mo8 O58 2.208(9) . ?
Mo8 O59 2.164(10) . ?
S1 S1A 0.798(15) . ?
S1 O1 1.421(9) . ?
S1 O2 1.19(3) . ?
S1 O2A 1.431(9) . ?
S1 O3 1.432(9) . ?
S1 C129 1.78(2) . ?
S1A F2A 2.13(3) . ?
S1A O1A 1.46(3) . ?
S1A O2 1.39(3) . ?
S1A O2A 1.31(2) . ?
S1A O3 1.410(18) . ?
S1A C129 1.69(2) . ?
S2 C37 1.860(16) . ?
S3 O16 1.426(8) . ?
S3 O17 1.432(8) . ?
S3 O18 1.479(9) . ?
S3 C128 1.62(2) . ?
S4 C55 1.85(2) . ?
S5 O19 1.440(16) . ?
S5 O20 1.448(16) . ?
S5 O21 1.432(17) . ?
S5 C131 1.78(3) . ?
S6 O13 1.451(18) . ?
S6 O14 1.426(16) . ?
S6 O15 1.444(15) . ?
S6 C127 1.82(3) . ?
S7 C19 1.843(16) . ?
S8 C31 1.842(15) . ?
S9 O10 1.442(13) . ?
S9 O11 1.428(16) . ?
S9 O12 1.429(15) . ?
S9 C133 1.87(3) . ?
S10 C1 1.84(3) . ?
S11 Ag13 2.621(4) 3_666 ?
S11 Ag14 2.450(4) 3_666 ?
S11 C13 1.841(16) . ?
S12 Ag9 2.511(4) 3_666 ?
S12 C26 1.82(2) . ?
S13 Ag11 2.486(4) 3_666 ?
S13 Ag12 2.444(4) 3_666 ?
S13 Ag13 2.550(4) 3_666 ?
S13 C91 1.850(15) . ?
S14 C67 1.835(17) . ?
S15 O7 1.449(14) . ?
S15 O8 1.366(15) . ?
S15 O9 1.500(16) . ?
S15 C134 1.83(2) . ?
S16 C73 1.852(14) . ?
S17 C62 1.840(14) . ?
S18 O4 1.462(11) . ?
S18 O5 1.434(12) . ?
S18 O6 1.443(12) . ?
S18 C130 1.837(16) . ?
S19 C49 1.843(15) . ?
S20 C43 1.86(2) . ?
S21 C79 1.92(3) . ?
S22 Ag14 2.445(4) 3_666 ?
S22 C7 1.787(19) . ?
S23 Ag20 2.508(4) 3_666 ?
S23 Ag22 2.501(5) 3_666 ?
S23 C103 1.848(19) . ?
S24 C97 1.841(18) . ?
S25 Ag5 2.722(5) 3_666 ?
S25 Ag10 2.488(5) 3_666 ?
S25 C85 1.852(17) . ?
S26 O22 1.36(2) . ?
S26 O23 1.426(17) . ?
S26 O24 1.394(19) . ?
S26 C132 1.86(3) . ?
F1 F1A 1.13(5) . ?
F1 C129 1.44(6) . ?
F1A F2 1.15(4) . ?
F1A C129 1.444(10) . ?
F2 F2A 1.33(4) . ?
F2 C129 1.23(4) . ?
F2A C129 1.449(10) . ?
F3 C129 1.438(10) . ?
F4 C132 1.22(3) . ?
F5 C132 1.32(3) . ?
F6 C132 1.31(3) . ?
F7 C131 1.31(4) . ?
F8 C131 1.41(4) . ?
F9 C131 1.27(3) . ?
F10 C130 1.332(19) . ?
F11 C130 1.31(2) . ?
F12 C130 1.31(2) . ?
F13 C128 1.440(10) . ?
F14 C128 1.437(10) . ?
F15 C128 1.446(10) . ?
F16 C127 1.29(3) . ?
F17 C127 1.37(4) . ?
F18 C127 1.30(4) . ?
F19 C133 1.24(3) . ?
F20 C133 1.32(3) . ?
F21 C133 1.33(3) . ?
F22 C134 1.35(2) . ?
F23 C134 1.31(2) . ?
F24 C134 1.32(2) . ?
O2 O2A 0.56(4) . ?
O25 Ag37 2.421(11) 3_666 ?
O27 Ag25 2.505(11) 3_666 ?
O31 C111 1.19(3) . ?
O33 C118 1.22(3) . ?
O34 C112 1.24(3) . ?
O42 Ag10 2.515(10) 3_666 ?
O45 Ag39 2.334(10) 3_666 ?
O47 Ag7 2.284(10) 3_666 ?
N1 C109 1.36(4) . ?
N1 C110 1.46(4) . ?
N1 C111 1.31(3) . ?
N3 C112 1.37(3) . ?
N3 C113 1.47(3) . ?
N3 C114 1.44(3) . ?
N4 C118 1.31(3) . ?
N4 C119 1.44(4) . ?
N4 C120 1.445(10) . ?
C1 H1 0.9800 . ?
C1 C2 1.30(4) . ?
C1 C6 1.51(3) . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C2 C3 1.57(4) . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C3 C4 1.43(4) . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C4 C5 1.38(4) . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C5 C6 1.50(3) . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C7 H7 0.9800 . ?
C7 C8 1.46(3) . ?
C7 C12 1.58(3) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C8 C9 1.52(2) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C9 C10 1.49(3) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C10 C11 1.50(3) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C11 C12 1.52(2) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 H13 0.9800 . ?
C13 C14 1.50(2) . ?
C13 C18 1.50(3) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C14 C15 1.52(3) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C15 C16 1.45(3) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C16 C17 1.52(3) . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C17 C18 1.50(3) . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C19 H19 0.9800 . ?
C19 C20 1.53(3) . ?
C19 C24 1.52(2) . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C20 C21 1.51(3) . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C21 C22 1.51(3) . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C22 C23 1.49(3) . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C23 C24 1.55(2) . ?
C24 H24A 0.9700 . ?
C24 H24B 0.9700 . ?
C25 H25A 0.9700 . ?
C25 H25B 0.9700 . ?
C25 C26 1.44(5) . ?
C25 C30 1.56(4) . ?
C26 H26 0.9800 . ?
C26 C27 1.51(5) . ?
C27 H27A 0.9700 . ?
C27 H27B 0.9700 . ?
C27 C29 1.557(10) . ?
C28 H28A 0.9700 . ?
C28 H28B 0.9700 . ?
C28 C29 1.54(5) . ?
C28 C30 1.42(5) . ?
C29 H29A 0.9700 . ?
C29 H29B 0.9700 . ?
C30 H30A 0.9700 . ?
C30 H30B 0.9700 . ?
C31 H31 0.9800 . ?
C31 C32 1.52(3) . ?
C31 C36 1.45(3) . ?
C32 H32A 0.9700 . ?
C32 H32B 0.9700 . ?
C32 C33 1.53(3) . ?
C33 H33A 0.9700 . ?
C33 H33B 0.9700 . ?
C33 C34 1.43(4) . ?
C34 H34A 0.9700 . ?
C34 H34B 0.9700 . ?
C34 C35 1.52(4) . ?
C35 H35A 0.9700 . ?
C35 H35B 0.9700 . ?
C35 C36 1.58(3) . ?
C36 H36A 0.9700 . ?
C36 H36B 0.9700 . ?
C37 H37 0.9800 . ?
C37 C38 1.48(3) . ?
C37 C42 1.46(3) . ?
C38 H38A 0.9700 . ?
C38 H38B 0.9700 . ?
C38 C39 1.56(3) . ?
C39 H39A 0.9700 . ?
C39 H39B 0.9700 . ?
C39 C40 1.50(4) . ?
C40 H40A 0.9700 . ?
C40 H40B 0.9700 . ?
C40 C41 1.46(4) . ?
C41 H41A 0.9700 . ?
C41 H41B 0.9700 . ?
C41 C42 1.58(3) . ?
C42 H42A 0.9700 . ?
C42 H42B 0.9700 . ?
C43 H43 0.9800 . ?
C43 C44 1.30(4) . ?
C43 C48 1.43(4) . ?
C44 H44A 0.9700 . ?
C44 H44B 0.9700 . ?
C44 C45 1.58(3) . ?
C45 H45A 0.9700 . ?
C45 H45B 0.9700 . ?
C45 C46 1.46(4) . ?
C46 H46A 0.9700 . ?
C46 H46B 0.9700 . ?
C46 C47 1.38(4) . ?
C47 H47A 0.9700 . ?
C47 H47B 0.9700 . ?
C47 C48 1.50(3) . ?
C48 H48A 0.9700 . ?
C48 H48B 0.9700 . ?
C49 H49 0.9800 . ?
C49 C50 1.54(2) . ?
C49 C54 1.53(2) . ?
C50 H50A 0.9700 . ?
C50 H50B 0.9700 . ?
C50 C51 1.50(2) . ?
C51 H51A 0.9700 . ?
C51 H51B 0.9700 . ?
C51 C52 1.54(3) . ?
C52 H52A 0.9700 . ?
C52 H52B 0.9700 . ?
C52 C53 1.47(3) . ?
C53 H53A 0.9700 . ?
C53 H53B 0.9700 . ?
C53 C54 1.55(2) . ?
C54 H54A 0.9700 . ?
C54 H54B 0.9700 . ?
C55 H55 0.9800 . ?
C55 C56 1.38(4) . ?
C55 C60 1.51(4) . ?
C56 H56A 0.9700 . ?
C56 H56B 0.9700 . ?
C56 C57 1.57(3) . ?
C57 H57A 0.9700 . ?
C57 H57B 0.9700 . ?
C57 C58 1.44(4) . ?
C58 H58A 0.9700 . ?
C58 H58B 0.9700 . ?
C58 C59 1.31(4) . ?
C59 H59A 0.9700 . ?
C59 H59B 0.9700 . ?
C59 C60 1.50(3) . ?
C60 H60A 0.9700 . ?
C60 H60B 0.9700 . ?
C61 H61A 0.9700 . ?
C61 H61B 0.9700 . ?
C61 C62 1.54(2) . ?
C61 C66 1.53(2) . ?
C62 H62 0.9800 . ?
C62 C63 1.51(2) . ?
C63 H63A 0.9700 . ?
C63 H63B 0.9700 . ?
C63 C64 1.54(2) . ?
C64 H64A 0.9700 . ?
C64 H64B 0.9700 . ?
C64 C65 1.57(3) . ?
C65 H65A 0.9700 . ?
C65 H65B 0.9700 . ?
C65 C66 1.52(2) . ?
C66 H66A 0.9700 . ?
C66 H66B 0.9700 . ?
C67 H67 0.9800 . ?
C67 C68 1.52(2) . ?
C67 C72 1.53(3) . ?
C68 H68A 0.9700 . ?
C68 H68B 0.9700 . ?
C68 C69 1.54(3) . ?
C69 H69A 0.9700 . ?
C69 H69B 0.9700 . ?
C69 C70 1.50(3) . ?
C70 H70A 0.9700 . ?
C70 H70B 0.9700 . ?
C70 C71 1.53(3) . ?
C71 H71A 0.9700 . ?
C71 H71B 0.9700 . ?
C71 C72 1.55(2) . ?
C72 H72A 0.9700 . ?
C72 H72B 0.9700 . ?
C73 H73 0.9800 . ?
C73 C74 1.50(3) . ?
C73 C78 1.53(3) . ?
C74 H74A 0.9700 . ?
C74 H74B 0.9700 . ?
C74 C75 1.55(2) . ?
C75 H75A 0.9700 . ?
C75 H75B 0.9700 . ?
C75 C76 1.51(4) . ?
C76 H76A 0.9700 . ?
C76 H76B 0.9700 . ?
C76 C77 1.46(3) . ?
C77 H77A 0.9700 . ?
C77 H77B 0.9700 . ?
C77 C78 1.54(3) . ?
C78 H78A 0.9700 . ?
C78 H78B 0.9700 . ?
C79 H79 0.9800 . ?
C79 C80 1.41(4) . ?
C79 C84 1.48(4) . ?
C80 H80A 0.9700 . ?
C80 H80B 0.9700 . ?
C80 C81 1.58(3) . ?
C81 H81A 0.9700 . ?
C81 H81B 0.9700 . ?
C81 C82 1.49(4) . ?
C82 H82A 0.9700 . ?
C82 H82B 0.9700 . ?
C82 C83 1.43(4) . ?
C83 H83A 0.9700 . ?
C83 H83B 0.9700 . ?
C83 C84 1.58(3) . ?
C84 H84A 0.9700 . ?
C84 H84B 0.9700 . ?
C85 H85 0.9800 . ?
C85 C86 1.51(3) . ?
C85 C90 1.50(3) . ?
C86 H86A 0.9700 . ?
C86 H86B 0.9700 . ?
C86 C87 1.56(3) . ?
C87 H87A 0.9700 . ?
C87 H87B 0.9700 . ?
C87 C88 1.47(3) . ?
C88 H88A 0.9700 . ?
C88 H88B 0.9700 . ?
C88 C89 1.53(3) . ?
C89 H89A 0.9700 . ?
C89 H89B 0.9700 . ?
C89 C90 1.54(3) . ?
C90 H90A 0.9700 . ?
C90 H90B 0.9700 . ?
C91 H91 0.9800 . ?
C91 C92 1.54(2) . ?
C91 C96 1.48(2) . ?
C92 H92A 0.9700 . ?
C92 H92B 0.9700 . ?
C92 C93 1.51(2) . ?
C93 H93A 0.9700 . ?
C93 H93B 0.9700 . ?
C93 C94 1.49(3) . ?
C94 H94A 0.9700 . ?
C94 H94B 0.9700 . ?
C94 C95 1.53(3) . ?
C95 H95A 0.9700 . ?
C95 H95B 0.9700 . ?
C95 C96 1.53(2) . ?
C96 H96A 0.9700 . ?
C96 H96B 0.9700 . ?
C97 H97 0.9800 . ?
C97 C98 1.40(3) . ?
C97 C102 1.45(3) . ?
C98 H98A 0.9700 . ?
C98 H98B 0.9700 . ?
C98 C99 1.56(3) . ?
C99 H99A 0.9700 . ?
C99 H99B 0.9700 . ?
C99 C100 1.52(3) . ?
C100 H10C 0.9700 . ?
C100 H10D 0.9700 . ?
C100 C101 1.56(3) . ?
C101 H10E 0.9700 . ?
C101 H10F 0.9700 . ?
C101 C102 1.53(3) . ?
C102 H10G 0.9700 . ?
C102 H10H 0.9700 . ?
C103 H103 0.9800 . ?
C103 C104 1.43(3) . ?
C103 C108 1.46(3) . ?
C104 H10I 0.9700 . ?
C104 H10J 0.9700 . ?
C104 C105 1.53(3) . ?
C105 H10K 0.9700 . ?
C105 H10L 0.9700 . ?
C105 C106 1.46(4) . ?
C106 H10M 0.9700 . ?
C106 H10N 0.9700 . ?
C106 C107 1.59(5) . ?
C107 H10O 0.9700 . ?
C107 H10P 0.9700 . ?
C107 C108 1.53(3) . ?
C108 H10Q 0.9700 . ?
C108 H10R 0.9700 . ?
C109 H10S 0.9600 . ?
C109 H10T 0.9600 . ?
C109 H10U 0.9600 . ?
C110 H11C 0.9600 . ?
C110 H11D 0.9600 . ?
C110 H11E 0.9600 . ?
C111 H111 0.9300 . ?
C112 H112 0.9300 . ?
C113 H11F 0.9600 . ?
C113 H11G 0.9600 . ?
C113 H11H 0.9600 . ?
C114 H11I 0.9600 . ?
C114 H11J 0.9600 . ?
C114 H11K 0.9600 . ?
C118 H118 0.9300 . ?
C119 H11L 0.9600 . ?
C119 H11M 0.9600 . ?
C119 H11N 0.9600 . ?
C120 H12C 0.9600 . ?
C120 H12D 0.9600 . ?
C120 H12E 0.9600 . ?
O29 H29 0.8200 . ?
O29 C123 1.42(4) . ?
C121 H12F 0.9600 . ?
C121 H12G 0.9600 . ?
C121 H12H 0.9600 . ?
C121 C122 1.60(6) . ?
C122 H12I 0.9700 . ?
C122 H12J 0.9700 . ?
C122 C123 1.39(4) . ?
C123 H12K 0.9700 . ?
C123 H12L 0.9700 . ?
O30 H30 0.8200 . ?
O30 C126 1.42(3) . ?
C124 H12M 0.9600 . ?
C124 H12N 0.9600 . ?
C124 H12O 0.9600 . ?
C124 C125 1.57(3) . ?
C125 H12P 0.9700 . ?
C125 H12Q 0.9700 . ?
C125 C126 1.46(3) . ?
C126 H12R 0.9700 . ?
C126 H12S 0.9700 . ?
O32 C117 1.249(10) . ?
N2 C115 1.541(10) . ?
N2 C116 1.548(10) . ?
N2 C117 1.537(10) . ?
C115 H11O 0.9600 . ?
C115 H11P 0.9600 . ?
C115 H11Q 0.9600 . ?
C116 H11R 0.9600 . ?
C116 H11S 0.9600 . ?
C116 H11T 0.9600 . ?
C117 H117 0.9300 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Ag1A Ag1 Ag14 122.1(10) . 3_666 ?
Ag1A Ag1 S10 51.9(9) . . ?
Ag1A Ag1 S11 150.3(9) . . ?
Ag1A Ag1 O12 81.0(11) . . ?
Ag1A Ag1 O46 66.0(10) . . ?
S10 Ag1 Ag14 109.39(12) . 3_666 ?
S10 Ag1 S11 154.71(16) . . ?
S10 Ag1 O12 91.9(3) . . ?
S11 Ag1 Ag14 53.00(10) . 3_666 ?
O12 Ag1 Ag14 155.1(3) . 3_666 ?
O12 Ag1 S11 102.6(3) . . ?
O46 Ag1 Ag14 97.6(2) . 3_666 ?
O46 Ag1 S10 117.7(3) . . ?
O46 Ag1 S11 85.0(2) . . ?
O46 Ag1 O12 83.0(4) . . ?
Ag1 Ag1A Ag2 162.9(12) . . ?
Ag1 Ag1A Mo1 102.0(11) . . ?
Ag1 Ag1A S10 106.8(12) . . ?
Ag1 Ag1A O12 77.3(11) . . ?
Ag1 Ag1A O46 91.5(11) . . ?
Ag2 Ag1A Mo1 94.8(5) . . ?
S10 Ag1A Ag2 58.1(4) . . ?
S10 Ag1A Mo1 133.4(7) . . ?
S10 Ag1A O12 102.6(7) . . ?
S10 Ag1A O46 160.8(10) . . ?
O12 Ag1A Ag2 97.3(7) . . ?
O12 Ag1A Mo1 119.2(7) . . ?
O46 Ag1A Ag2 104.5(7) . . ?
O46 Ag1A Mo1 32.7(3) . . ?
O46 Ag1A O12 86.8(7) . . ?
Ag1A Ag2 Ag3 88.0(3) . . ?
Ag1A Ag2 Ag40 88.0(3) . . ?
Ag3 Ag2 Ag40 151.63(6) . . ?
S8 Ag2 Ag1A 141.1(4) . . ?
S8 Ag2 Ag3 128.54(11) . . ?
S8 Ag2 Ag40 53.79(10) . . ?
S8 Ag2 O37 89.8(2) . . ?
S10 Ag2 Ag1A 46.2(3) . . ?
S10 Ag2 Ag3 50.09(11) . . ?
S10 Ag2 Ag40 134.07(12) . . ?
S10 Ag2 S8 168.70(15) . . ?
S10 Ag2 O37 101.4(3) . . ?
O37 Ag2 Ag1A 66.0(4) . . ?
O37 Ag2 Ag3 103.4(2) . . ?
O37 Ag2 Ag40 49.8(2) . . ?
Ag2 Ag3 Ag31 83.56(5) . . ?
Ag4 Ag3 Ag2 92.96(5) . . ?
Ag4 Ag3 Ag31 87.60(5) . . ?
S10 Ag3 Ag2 49.14(12) . . ?
S10 Ag3 Ag4 83.79(12) . . ?
S10 Ag3 Ag31 131.08(13) . . ?
S10 Ag3 S14 136.19(16) . . ?
S10 Ag3 O34 112.7(3) . . ?
S14 Ag3 Ag2 115.88(11) . . ?
S14 Ag3 Ag4 53.72(10) . . ?
S14 Ag3 Ag31 47.99(10) . . ?
O34 Ag3 Ag2 142.9(3) . . ?
O34 Ag3 Ag4 119.3(3) . . ?
O34 Ag3 Ag31 113.4(3) . . ?
O34 Ag3 S14 98.8(3) . . ?
Ag3 Ag4 Ag5 136.51(6) . . ?
Ag3 Ag4 Ag6 133.11(6) . . ?
Ag3 Ag4 Ag39 156.51(6) . 3_666 ?
Ag5 Ag4 Ag6 72.96(5) . . ?
Ag5 Ag4 Ag39 66.01(4) . 3_666 ?
Ag6 Ag4 Ag39 49.53(3) . 3_666 ?
S14 Ag4 Ag3 52.69(10) . . ?
S14 Ag4 Ag5 109.10(11) . . ?
S14 Ag4 Ag6 86.69(10) . . ?
S14 Ag4 Ag39 136.09(11) . 3_666 ?
S22 Ag4 Ag3 111.36(12) . . ?
S22 Ag4 Ag5 50.15(11) . . ?
S22 Ag4 Ag6 114.56(12) . . ?
S22 Ag4 Ag39 76.82(11) . 3_666 ?
S22 Ag4 S14 135.88(15) . . ?
O35 Ag4 Ag3 95.3(2) . . ?
O35 Ag4 Ag5 121.0(3) . . ?
O35 Ag4 Ag6 48.4(2) . . ?
O35 Ag4 Ag39 70.6(2) . 3_666 ?
O35 Ag4 S14 77.5(2) . . ?
O35 Ag4 S22 145.7(3) . . ?
Ag37 Ag5 Ag4 100.26(6) 3_666 . ?
S22 Ag5 Ag4 50.03(11) . . ?
S22 Ag5 Ag37 120.84(12) . 3_666 ?
S22 Ag5 S25 112.43(15) . 3_666 ?
S25 Ag5 Ag4 158.90(11) 3_666 . ?
S25 Ag5 Ag37 99.56(11) 3_666 3_666 ?
O25 Ag5 Ag4 114.3(3) . . ?
O25 Ag5 Ag37 55.1(3) . 3_666 ?
O25 Ag5 S22 164.3(3) . . ?
O25 Ag5 S25 83.2(3) . 3_666 ?
Ag4 Ag6 Ag8 77.60(4) . . ?
Ag7 Ag6 Ag4 145.99(5) . . ?
Ag7 Ag6 Ag8 135.27(5) . . ?
Ag7 Ag6 Ag37 56.25(4) . 3_666 ?
Ag7 Ag6 Ag38 59.66(4) . . ?
Ag7 Ag6 Ag39 81.22(4) . 3_666 ?
Ag37 Ag6 Ag4 95.36(5) 3_666 . ?
Ag37 Ag6 Ag8 136.23(5) 3_666 . ?
Ag38 Ag6 Ag4 109.02(5) . . ?
Ag38 Ag6 Ag8 130.93(5) . . ?
Ag38 Ag6 Ag37 92.44(4) . 3_666 ?
Ag39 Ag6 Ag4 66.42(4) 3_666 . ?
Ag39 Ag6 Ag8 143.51(5) 3_666 . ?
Ag39 Ag6 Ag37 56.70(4) 3_666 3_666 ?
Ag39 Ag6 Ag38 60.76(4) 3_666 . ?
O28 Ag6 Ag4 100.6(3) . . ?
O28 Ag6 Ag7 99.4(3) . . ?
O28 Ag6 Ag8 47.7(3) . . ?
O28 Ag6 Ag37 93.0(3) . 3_666 ?
O28 Ag6 Ag38 149.2(3) . . ?
O28 Ag6 Ag39 143.5(3) . 3_666 ?
O35 Ag6 Ag4 46.0(3) . . ?
O35 Ag6 Ag7 140.5(2) . . ?
O35 Ag6 Ag8 69.8(2) . . ?
O35 Ag6 Ag37 133.2(2) . 3_666 ?
O35 Ag6 Ag38 80.8(2) . . ?
O35 Ag6 Ag39 80.6(2) . 3_666 ?
O35 Ag6 O28 115.9(3) . . ?
O53 Ag6 Ag4 114.3(2) . . ?
O53 Ag6 Ag7 98.3(2) . . ?
O53 Ag6 Ag8 47.6(2) . . ?
O53 Ag6 Ag37 147.8(2) . 3_666 ?
O53 Ag6 Ag38 89.5(2) . . ?
O53 Ag6 Ag39 146.1(2) . 3_666 ?
O53 Ag6 O28 70.4(4) . . ?
O53 Ag6 O35 78.7(3) . . ?
Ag6 Ag7 Ag38 103.61(5) . 3_666 ?
Ag6 Ag7 Ag38 63.23(4) . . ?
Ag6 Ag7 Ag39 126.36(5) . . ?
Ag37 Ag7 Ag6 65.47(4) 3_666 . ?
Ag37 Ag7 Ag38 100.30(5) 3_666 . ?
Ag37 Ag7 Ag38 62.64(4) 3_666 3_666 ?
Ag37 Ag7 Ag39 122.23(5) 3_666 . ?
Ag38 Ag7 Ag38 75.58(4) . 3_666 ?
Ag38 Ag7 Ag39 59.65(4) 3_666 . ?
Ag38 Ag7 Ag39 63.23(4) . . ?
O47 Ag7 Ag6 142.8(2) 3_666 . ?
O47 Ag7 Ag37 98.2(3) 3_666 3_666 ?
O47 Ag7 Ag38 153.5(3) 3_666 . ?
O47 Ag7 Ag38 96.6(2) 3_666 3_666 ?
O47 Ag7 Ag39 90.8(2) 3_666 . ?
O47 Ag7 O52 83.9(4) 3_666 . ?
O52 Ag7 Ag6 86.1(3) . . ?
O52 Ag7 Ag37 135.3(3) . 3_666 ?
O52 Ag7 Ag38 161.9(3) . 3_666 ?
O52 Ag7 Ag38 95.9(3) . . ?
O52 Ag7 Ag39 102.3(3) . . ?
Ag6 Ag8 Ag11 73.08(4) . . ?
Ag30 Ag8 Ag6 132.38(5) . . ?
Ag30 Ag8 Ag11 92.64(4) . . ?
Ag31 Ag8 Ag6 112.52(5) . . ?
Ag31 Ag8 Ag11 148.90(5) . . ?
Ag31 Ag8 Ag30 60.33(4) . . ?
S14 Ag8 Ag6 87.01(10) . . ?
S14 Ag8 Ag11 155.54(11) . . ?
S14 Ag8 Ag30 111.47(11) . . ?
S14 Ag8 Ag31 52.43(11) . . ?
S14 Ag8 S17 151.04(13) . . ?
S17 Ag8 Ag6 121.83(9) . . ?
S17 Ag8 Ag11 50.01(9) . . ?
S17 Ag8 Ag30 52.42(9) . . ?
S17 Ag8 Ag31 111.13(10) . . ?
O28 Ag8 Ag6 48.6(2) . . ?
O28 Ag8 Ag11 50.0(3) . . ?
O28 Ag8 Ag30 142.5(3) . . ?
O28 Ag8 Ag31 155.6(3) . . ?
O28 Ag8 S14 106.0(3) . . ?
O28 Ag8 S17 93.2(3) . . ?
O53 Ag8 Ag6 45.6(2) . . ?
O53 Ag8 Ag11 50.9(2) . . ?
O53 Ag8 Ag30 90.0(2) . . ?
O53 Ag8 Ag31 109.8(2) . . ?
O53 Ag8 S14 122.2(2) . . ?
O53 Ag8 S17 84.4(2) . . ?
O53 Ag8 O28 69.7(4) . . ?
Ag22 Ag9 Ag24 59.47(5) 3_666 3_666 ?
Ag22 Ag9 Ag25 150.75(6) 3_666 3_666 ?
Ag24 Ag9 Ag25 92.65(5) 3_666 3_666 ?
S12 Ag9 Ag22 98.32(10) 3_666 3_666 ?
S12 Ag9 Ag24 49.14(10) 3_666 3_666 ?
S12 Ag9 Ag25 53.18(10) 3_666 3_666 ?
S23 Ag9 Ag22 51.38(11) . 3_666 ?
S23 Ag9 Ag24 110.48(11) . 3_666 ?
S23 Ag9 Ag25 156.70(11) . 3_666 ?
S23 Ag9 S12 143.01(15) . 3_666 ?
O27 Ag9 Ag22 155.0(3) . 3_666 ?
O27 Ag9 Ag24 143.4(3) . 3_666 ?
O27 Ag9 Ag25 50.9(3) . 3_666 ?
O27 Ag9 S12 97.6(3) . 3_666 ?
O27 Ag9 S23 105.8(3) . . ?
Ag18 Ag10 Ag37 110.10(5) 3_666 3_666 ?
Ag20 Ag10 Ag18 58.55(4) 3_666 3_666 ?
Ag20 Ag10 Ag37 128.74(5) 3_666 3_666 ?
S23 Ag10 Ag18 111.17(11) . 3_666 ?
S23 Ag10 Ag20 53.73(10) . 3_666 ?
S23 Ag10 Ag37 119.81(11) . 3_666 ?
S23 Ag10 S25 148.03(15) . 3_666 ?
S23 Ag10 O42 82.3(2) . 3_666 ?
S25 Ag10 Ag18 51.48(10) 3_666 3_666 ?
S25 Ag10 Ag20 107.60(11) 3_666 3_666 ?
S25 Ag10 Ag37 92.15(11) 3_666 3_666 ?
S25 Ag10 O42 126.9(2) 3_666 3_666 ?
O25 Ag10 Ag18 132.0(3) . 3_666 ?
O25 Ag10 Ag20 167.7(3) . 3_666 ?
O25 Ag10 Ag37 46.0(3) . 3_666 ?
O25 Ag10 S23 116.8(3) . . ?
O25 Ag10 S25 84.4(3) . 3_666 ?
O25 Ag10 O42 80.3(4) . 3_666 ?
O42 Ag10 Ag18 109.5(2) 3_666 3_666 ?
O42 Ag10 Ag20 90.2(2) 3_666 3_666 ?
O42 Ag10 Ag37 43.3(2) 3_666 3_666 ?
Ag12 Ag11 Ag8 135.70(5) . . ?
Ag12 Ag11 Ag32 53.21(4) . . ?
Ag32 Ag11 Ag8 89.16(4) . . ?
S13 Ag11 Ag8 175.63(10) 3_666 . ?
S13 Ag11 Ag12 48.60(9) 3_666 . ?
S13 Ag11 Ag32 94.20(9) 3_666 . ?
S13 Ag11 S17 132.18(12) 3_666 . ?
S13 Ag11 O28 129.2(3) 3_666 . ?
S17 Ag11 Ag8 49.29(9) . . ?
S17 Ag11 Ag12 100.85(10) . . ?
S17 Ag11 Ag32 47.74(9) . . ?
O28 Ag11 Ag8 47.0(3) . . ?
O28 Ag11 Ag12 164.5(2) . . ?
O28 Ag11 Ag32 135.6(3) . . ?
O28 Ag11 S17 90.0(3) . . ?
Ag13 Ag12 Ag11 93.78(5) . . ?
Ag32 Ag12 Ag11 64.31(4) . . ?
Ag32 Ag12 Ag13 156.49(6) . . ?
S13 Ag12 Ag11 49.73(9) 3_666 . ?
S13 Ag12 Ag13 51.79(9) 3_666 . ?
S13 Ag12 Ag32 104.90(10) 3_666 . ?
S13 Ag12 S19 158.78(14) 3_666 . ?
S19 Ag12 Ag11 111.75(10) . . ?
S19 Ag12 Ag13 149.24(10) . . ?
S19 Ag12 Ag32 53.91(9) . . ?
Ag25 Ag13 Ag12 92.06(5) 3_666 . ?
Ag26 Ag13 Ag12 155.27(6) 3_666 . ?
Ag26 Ag13 Ag25 63.25(5) 3_666 3_666 ?
S11 Ag13 Ag12 140.22(11) 3_666 . ?
S11 Ag13 Ag25 100.36(11) 3_666 3_666 ?
S11 Ag13 Ag26 53.25(11) 3_666 3_666 ?
S13 Ag13 Ag12 48.87(9) 3_666 . ?
S13 Ag13 Ag25 51.08(9) 3_666 3_666 ?
S13 Ag13 Ag26 108.47(10) 3_666 3_666 ?
S13 Ag13 S11 150.32(14) 3_666 3_666 ?
O33 Ag13 Ag12 113.5(4) . . ?
O33 Ag13 Ag25 108.9(5) . 3_666 ?
O33 Ag13 Ag26 76.2(4) . 3_666 ?
O33 Ag13 S11 98.0(5) . 3_666 ?
O33 Ag13 S13 99.3(5) . 3_666 ?
O33 Ag13 O57 155.6(5) . . ?
O57 Ag13 Ag12 53.2(2) . . ?
O57 Ag13 Ag25 92.9(2) . 3_666 ?
O57 Ag13 Ag26 125.0(2) . 3_666 ?
O57 Ag13 S11 88.3(2) . 3_666 ?
O57 Ag13 S13 85.8(2) . 3_666 ?
Ag1 Ag14 Ag15 128.94(6) 3_666 . ?
S11 Ag14 Ag1 58.06(11) 3_666 3_666 ?
S11 Ag14 Ag15 74.07(11) 3_666 . ?
S22 Ag14 Ag1 105.16(12) 3_666 3_666 ?
S22 Ag14 Ag15 114.55(12) 3_666 . ?
S22 Ag14 S11 157.58(15) 3_666 3_666 ?
O50 Ag14 Ag1 130.6(3) . 3_666 ?
O50 Ag14 Ag15 78.7(2) . . ?
O50 Ag14 S11 108.8(3) . 3_666 ?
O50 Ag14 S22 93.4(3) . 3_666 ?
Ag17 Ag15 Ag14 115.18(5) . . ?
S21 Ag15 Ag14 82.10(12) . . ?
S21 Ag15 Ag17 51.95(12) . . ?
S21 Ag15 O23 127.7(6) . . ?
O23 Ag15 Ag14 117.5(4) . . ?
O23 Ag15 Ag17 126.4(5) . . ?
O57 Ag15 Ag14 83.7(2) . . ?
O57 Ag15 Ag17 107.9(3) . . ?
O57 Ag15 S21 145.1(3) . . ?
O57 Ag15 O23 87.1(6) . . ?
Ag17 Ag16 Ag18 86.78(5) . . ?
S21 Ag16 Ag17 53.40(11) . . ?
S21 Ag16 Ag18 140.14(12) . . ?
S25 Ag16 Ag17 131.90(12) . . ?
S25 Ag16 Ag18 47.59(11) . . ?
S25 Ag16 S21 167.53(18) . . ?
Ag16 Ag17 Ag15 92.48(6) . . ?
Ag16 Ag17 Ag33 137.98(7) . . ?
Ag33 Ag17 Ag15 78.82(5) . . ?
S4 Ag17 Ag15 131.86(11) . . ?
S4 Ag17 Ag16 130.71(11) . . ?
S4 Ag17 Ag33 55.48(10) . . ?
S21 Ag17 Ag15 50.81(11) . . ?
S21 Ag17 Ag16 53.02(11) . . ?
S21 Ag17 Ag33 129.34(12) . . ?
S21 Ag17 S4 170.55(16) . . ?
Ag10 Ag18 Ag16 94.75(5) 3_666 . ?
Ag10 Ag18 Ag19 152.84(6) 3_666 . ?
Ag19 Ag18 Ag16 101.51(5) . . ?
Ag20 Ag18 Ag10 60.24(4) . 3_666 ?
Ag20 Ag18 Ag16 154.78(6) . . ?
Ag20 Ag18 Ag19 100.64(5) . . ?
S24 Ag18 Ag10 113.88(11) . 3_666 ?
S24 Ag18 Ag16 151.30(11) . . ?
S24 Ag18 Ag19 51.47(10) . . ?
S24 Ag18 Ag20 53.65(10) . . ?
S25 Ag18 Ag10 53.11(11) . 3_666 ?
S25 Ag18 Ag16 47.06(11) . . ?
S25 Ag18 Ag19 148.38(12) . . ?
S25 Ag18 Ag20 110.77(12) . . ?
S25 Ag18 S24 157.53(15) . . ?
O55 Ag18 Ag10 102.8(3) . 3_666 ?
O55 Ag18 Ag16 72.9(2) . . ?
O55 Ag18 Ag19 62.4(2) . . ?
O55 Ag18 Ag20 107.4(3) . . ?
O55 Ag18 S24 97.5(3) . . ?
O55 Ag18 S25 103.2(3) . . ?
Ag18 Ag19 Ag35 113.83(6) . . ?
S4 Ag19 Ag18 106.73(11) . . ?
S4 Ag19 Ag35 48.58(11) . . ?
S4 Ag19 S24 150.44(15) . . ?
S4 Ag19 O19 96.0(4) . . ?
S24 Ag19 Ag18 50.19(10) . . ?
S24 Ag19 Ag35 117.82(11) . . ?
S24 Ag19 O19 102.1(4) . . ?
O17 Ag19 Ag18 144.2(4) . . ?
O17 Ag19 Ag35 58.3(4) . . ?
O17 Ag19 S4 92.6(3) . . ?
O17 Ag19 S24 99.7(4) . . ?
O17 Ag19 O19 116.7(6) . . ?
O19 Ag19 Ag18 91.5(3) . . ?
O19 Ag19 Ag35 140.1(3) . . ?
Ag10 Ag20 Ag21 146.59(6) 3_666 . ?
Ag10 Ag20 Ag22 97.26(5) 3_666 . ?
Ag18 Ag20 Ag10 61.21(4) . 3_666 ?
Ag18 Ag20 Ag21 94.62(5) . . ?
Ag18 Ag20 Ag22 157.03(6) . . ?
Ag22 Ag20 Ag21 101.20(5) . . ?
S23 Ag20 Ag10 52.76(10) 3_666 3_666 ?
S23 Ag20 Ag18 112.83(11) 3_666 . ?
S23 Ag20 Ag21 149.74(11) 3_666 . ?
S23 Ag20 Ag22 48.87(10) 3_666 . ?
S24 Ag20 Ag10 114.74(11) . 3_666 ?
S24 Ag20 Ag18 53.55(11) . . ?
S24 Ag20 Ag21 47.68(10) . . ?
S24 Ag20 Ag22 147.26(12) . . ?
S24 Ag20 S23 162.41(15) . 3_666 ?
O43 Ag20 Ag10 84.0(2) . 3_666 ?
O43 Ag20 Ag18 103.3(2) . . ?
O43 Ag20 Ag21 79.4(2) . . ?
O43 Ag20 Ag22 64.0(2) . . ?
O43 Ag20 S23 82.0(2) . 3_666 ?
O43 Ag20 S24 110.7(2) . . ?
Ag23 Ag21 Ag20 70.69(4) . . ?
S2 Ag21 Ag20 121.37(11) . . ?
S2 Ag21 Ag23 52.39(10) . . ?
S2 Ag21 S24 151.97(15) . . ?
S2 Ag21 O15 108.4(4) . . ?
S2 Ag21 O16 99.3(4) . . ?
S24 Ag21 Ag20 47.63(10) . . ?
S24 Ag21 Ag23 115.95(11) . . ?
S24 Ag21 O15 96.7(4) . . ?
S24 Ag21 O16 93.9(4) . . ?
O15 Ag21 Ag20 84.3(3) . . ?
O15 Ag21 Ag23 92.2(4) . . ?
O15 Ag21 O16 87.8(4) . . ?
O16 Ag21 Ag20 139.0(4) . . ?
O16 Ag21 Ag23 150.0(4) . . ?
Ag9 Ag22 Ag20 88.91(5) 3_666 . ?
Ag24 Ag22 Ag9 60.54(5) . 3_666 ?
Ag24 Ag22 Ag20 129.73(6) . . ?
S7 Ag22 Ag9 104.36(11) . 3_666 ?
S7 Ag22 Ag20 112.57(11) . . ?
S7 Ag22 Ag24 50.08(11) . . ?
S7 Ag22 S23 142.04(14) . 3_666 ?
S23 Ag22 Ag9 50.99(10) 3_666 3_666 ?
S23 Ag22 Ag20 49.05(10) 3_666 . ?
S23 Ag22 Ag24 111.15(11) 3_666 . ?
O31 Ag22 Ag9 110.5(3) . 3_666 ?
O31 Ag22 Ag20 118.2(4) . . ?
O31 Ag22 Ag24 110.0(4) . . ?
O31 Ag22 S7 117.4(4) . . ?
O31 Ag22 S23 99.6(4) . 3_666 ?
Ag21 Ag23 Ag40 158.69(6) . . ?
Ag36 Ag23 Ag21 102.18(5) . . ?
Ag36 Ag23 Ag40 61.19(4) . . ?
S2 Ag23 Ag21 52.47(11) . . ?
S2 Ag23 Ag36 54.73(11) . . ?
S2 Ag23 Ag40 115.32(11) . . ?
S2 Ag23 S7 145.14(15) . . ?
S7 Ag23 Ag21 146.51(12) . . ?
S7 Ag23 Ag36 109.31(12) . . ?
S7 Ag23 Ag40 54.21(11) . . ?
O43 Ag23 Ag21 87.6(2) . . ?
O43 Ag23 Ag36 110.3(2) . . ?
O43 Ag23 Ag40 86.4(2) . . ?
O43 Ag23 S2 122.1(3) . . ?
O43 Ag23 S7 91.9(3) . . ?
Ag9 Ag24 Ag40 111.27(5) 3_666 . ?
Ag22 Ag24 Ag9 59.99(5) . 3_666 ?
Ag22 Ag24 Ag40 93.70(5) . . ?
S7 Ag24 Ag9 104.37(13) . 3_666 ?
S7 Ag24 Ag22 50.66(12) . . ?
S7 Ag24 Ag40 53.81(10) . . ?
S12 Ag24 Ag9 51.69(11) . 3_666 ?
S12 Ag24 Ag22 100.82(12) . . ?
S12 Ag24 Ag40 142.66(11) . . ?
S12 Ag24 S7 151.47(17) . . ?
Ag13 Ag25 Ag9 144.84(5) 3_666 3_666 ?
Ag13 Ag25 Ag26 54.44(4) 3_666 . ?
Ag26 Ag25 Ag9 92.27(5) . 3_666 ?
S12 Ag25 Ag9 50.17(10) . 3_666 ?
S12 Ag25 Ag13 95.11(10) . 3_666 ?
S12 Ag25 Ag26 49.31(10) . . ?
S13 Ag25 Ag9 140.72(10) . 3_666 ?
S13 Ag25 Ag13 53.25(9) . 3_666 ?
S13 Ag25 Ag26 102.40(10) . . ?
S13 Ag25 S12 116.86(13) . . ?
S13 Ag25 O27 106.0(3) . 3_666 ?
O27 Ag25 Ag9 48.7(3) 3_666 3_666 ?
O27 Ag25 Ag13 159.1(2) 3_666 3_666 ?
O27 Ag25 Ag26 140.5(3) 3_666 . ?
O27 Ag25 S12 92.9(3) 3_666 . ?
O47 Ag25 Ag9 70.1(2) . 3_666 ?
O47 Ag25 Ag13 109.1(3) . 3_666 ?
O47 Ag25 Ag26 79.2(2) . . ?
O47 Ag25 S12 88.7(3) . . ?
O47 Ag25 S13 148.1(3) . . ?
O47 Ag25 O27 90.4(4) . 3_666 ?
Ag13 Ag26 Ag25 62.30(5) 3_666 . ?
S11 Ag26 Ag13 58.94(11) . 3_666 ?
S11 Ag26 Ag25 103.67(11) . . ?
S12 Ag26 Ag13 106.29(11) . 3_666 ?
S12 Ag26 Ag25 54.75(10) . . ?
S12 Ag26 S11 158.28(15) . . ?
S12 Ag26 O46 89.1(3) . . ?
O46 Ag26 Ag13 128.2(2) . 3_666 ?
O46 Ag26 Ag25 91.8(2) . . ?
O46 Ag26 S11 89.3(3) . . ?
S2 Ag27 Ag35 117.73(11) . . ?
S2 Ag27 O18 96.8(4) . . ?
S20 Ag27 Ag35 48.73(11) . . ?
S20 Ag27 S2 156.47(15) . . ?
S20 Ag27 O18 102.7(4) . . ?
O1 Ag27 Ag35 148.7(5) . . ?
O1 Ag27 S2 93.6(5) . . ?
O1 Ag27 S20 101.7(5) . . ?
O1 Ag27 O18 82.7(4) . . ?
O18 Ag27 Ag35 93.2(3) . . ?
Ag36 Ag28 Ag31 115.05(5) . . ?
S8 Ag28 Ag31 108.07(11) . . ?
S8 Ag28 Ag36 49.06(10) . . ?
S8 Ag28 S16 147.15(13) . . ?
S8 Ag28 O1A 115.8(7) . . ?
S8 Ag28 O7 111.7(3) . . ?
S16 Ag28 Ag31 48.03(10) . . ?
S16 Ag28 Ag36 114.30(11) . . ?
S16 Ag28 O1A 91.1(7) . . ?
O1A Ag28 Ag31 136.1(7) . . ?
O1A Ag28 Ag36 94.3(6) . . ?
O7 Ag28 Ag31 88.8(3) . . ?
O7 Ag28 Ag36 152.1(3) . . ?
O7 Ag28 S16 92.2(3) . . ?
O7 Ag28 O1A 75.6(7) . . ?
Ag30 Ag29 Ag34 73.62(4) . . ?
S16 Ag29 Ag30 50.05(10) . . ?
S16 Ag29 Ag34 123.67(11) . . ?
S16 Ag29 S20 172.29(15) . . ?
S16 Ag29 O40 103.1(3) . . ?
S20 Ag29 Ag30 122.25(11) . . ?
S20 Ag29 Ag34 48.64(11) . . ?
S20 Ag29 O40 77.5(3) . . ?
O40 Ag29 Ag30 99.0(2) . . ?
O40 Ag29 Ag34 83.1(2) . . ?
Ag8 Ag30 Ag29 134.00(5) . . ?
Ag8 Ag30 Ag31 59.61(4) . . ?
Ag31 Ag30 Ag29 90.84(5) . . ?
S16 Ag30 Ag8 111.91(10) . . ?
S16 Ag30 Ag29 48.61(10) . . ?
S16 Ag30 Ag31 52.46(10) . . ?
S16 Ag30 S17 163.33(14) . . ?
S16 Ag30 O60 106.5(2) . . ?
S17 Ag30 Ag8 54.93(9) . . ?
S17 Ag30 Ag29 147.32(10) . . ?
S17 Ag30 Ag31 112.86(10) . . ?
S17 Ag30 O60 83.8(2) . . ?
O60 Ag30 Ag8 84.9(2) . . ?
O60 Ag30 Ag29 68.2(2) . . ?
O60 Ag30 Ag31 104.4(2) . . ?
Ag3 Ag31 Ag28 98.54(5) . . ?
Ag8 Ag31 Ag3 102.90(5) . . ?
Ag8 Ag31 Ag28 147.97(6) . . ?
Ag8 Ag31 Ag30 60.06(4) . . ?
Ag30 Ag31 Ag3 162.52(6) . . ?
Ag30 Ag31 Ag28 98.57(5) . . ?
S14 Ag31 Ag3 50.41(11) . . ?
S14 Ag31 Ag8 53.38(11) . . ?
S14 Ag31 Ag28 146.67(11) . . ?
S14 Ag31 Ag30 112.12(11) . . ?
S14 Ag31 S16 163.76(14) . . ?
S14 Ag31 O36 102.8(3) . . ?
S16 Ag31 Ag3 144.26(11) . . ?
S16 Ag31 Ag8 112.84(10) . . ?
S16 Ag31 Ag28 49.55(9) . . ?
S16 Ag31 Ag30 52.94(10) . . ?
S16 Ag31 O36 87.5(3) . . ?
O36 Ag31 Ag3 86.2(2) . . ?
O36 Ag31 Ag8 100.3(2) . . ?
O36 Ag31 Ag28 57.5(2) . . ?
O36 Ag31 Ag30 100.1(2) . . ?
Ag12 Ag32 Ag11 62.48(4) . . ?
Ag12 Ag32 Ag34 98.44(5) . . ?
Ag34 Ag32 Ag11 120.78(4) . . ?
S17 Ag32 Ag11 51.19(9) . . ?
S17 Ag32 Ag12 113.53(10) . . ?
S17 Ag32 Ag34 116.88(10) . . ?
S17 Ag32 S19 153.50(12) . . ?
S17 Ag32 O5 106.2(3) . . ?
S19 Ag32 Ag11 109.77(9) . . ?
S19 Ag32 Ag12 53.53(9) . . ?
S19 Ag32 Ag34 52.45(9) . . ?
S19 Ag32 O5 97.3(3) . . ?
O5 Ag32 Ag11 150.4(3) . . ?
O5 Ag32 Ag12 132.7(3) . . ?
O5 Ag32 Ag34 85.0(3) . . ?
Ag17 Ag33 Ag34 153.63(6) . . ?
Ag17 Ag33 Ag35 97.17(5) . . ?
Ag35 Ag33 Ag34 57.51(4) . . ?
S4 Ag33 Ag17 50.90(10) . . ?
S4 Ag33 Ag34 103.02(11) . . ?
S4 Ag33 Ag35 51.67(10) . . ?
S19 Ag33 Ag17 145.57(10) . . ?
S19 Ag33 Ag34 51.32(9) . . ?
S19 Ag33 Ag35 105.87(10) . . ?
S19 Ag33 S4 130.61(13) . . ?
S19 Ag33 O58 73.6(2) . . ?
O58 Ag33 Ag17 121.2(2) . . ?
O58 Ag33 Ag34 78.9(2) . . ?
O58 Ag33 Ag35 111.4(2) . . ?
O58 Ag33 S4 150.7(2) . . ?
O59 Ag33 Ag17 57.2(2) . . ?
O59 Ag33 Ag34 132.7(2) . . ?
O59 Ag33 Ag35 107.3(2) . . ?
O59 Ag33 S4 94.9(2) . . ?
O59 Ag33 S19 134.2(2) . . ?
O59 Ag33 O58 65.5(3) . . ?
Ag32 Ag34 Ag29 108.65(5) . . ?
Ag32 Ag34 Ag33 90.82(4) . . ?
Ag33 Ag34 Ag29 134.56(5) . . ?
Ag35 Ag34 Ag29 87.30(5) . . ?
Ag35 Ag34 Ag32 147.37(5) . . ?
Ag35 Ag34 Ag33 59.30(4) . . ?
S19 Ag34 Ag29 159.34(10) . . ?
S19 Ag34 Ag32 51.20(9) . . ?
S19 Ag34 Ag33 51.90(8) . . ?
S19 Ag34 Ag35 108.13(10) . . ?
S20 Ag34 Ag29 47.24(11) . . ?
S20 Ag34 Ag32 154.51(12) . . ?
S20 Ag34 Ag33 112.15(11) . . ?
S20 Ag34 Ag35 52.90(11) . . ?
S20 Ag34 S19 153.40(15) . . ?
O60 Ag34 Ag29 66.2(2) . . ?
O60 Ag34 Ag32 64.8(2) . . ?
O60 Ag34 Ag33 87.8(2) . . ?
O60 Ag34 Ag35 98.6(2) . . ?
O60 Ag34 S19 97.2(2) . . ?
O60 Ag34 S20 103.7(2) . . ?
Ag27 Ag35 Ag19 99.76(6) . . ?
Ag33 Ag35 Ag19 98.99(5) . . ?
Ag33 Ag35 Ag27 156.91(6) . . ?
Ag34 Ag35 Ag19 160.51(7) . . ?
Ag34 Ag35 Ag27 99.48(6) . . ?
Ag34 Ag35 Ag33 63.19(4) . . ?
S4 Ag35 Ag19 49.54(10) . . ?
S4 Ag35 Ag27 147.34(11) . . ?
S4 Ag35 Ag33 55.01(10) . . ?
S4 Ag35 Ag34 111.00(11) . . ?
S20 Ag35 Ag19 142.21(12) . . ?
S20 Ag35 Ag27 48.78(11) . . ?
S20 Ag35 Ag33 117.26(12) . . ?
S20 Ag35 Ag34 54.14(11) . . ?
S20 Ag35 S4 149.14(14) . . ?
Ag23 Ag36 Ag28 163.11(6) . . ?
Ag23 Ag36 Ag40 62.48(4) . . ?
Ag40 Ag36 Ag28 100.71(5) . . ?
S2 Ag36 Ag23 53.08(10) . . ?
S2 Ag36 Ag28 143.03(11) . . ?
S2 Ag36 Ag40 114.96(11) . . ?
S8 Ag36 Ag23 114.68(10) . . ?
S8 Ag36 Ag28 49.08(9) . . ?
S8 Ag36 Ag40 55.84(9) . . ?
S8 Ag36 S2 151.71(14) . . ?
Ag5 Ag37 Ag6 81.42(5) 3_666 3_666 ?
Ag5 Ag37 Ag10 69.29(5) 3_666 3_666 ?
Ag5 Ag37 Ag38 134.80(5) 3_666 . ?
Ag6 Ag37 Ag10 129.01(5) 3_666 3_666 ?
Ag7 Ag37 Ag5 139.57(6) 3_666 3_666 ?
Ag7 Ag37 Ag6 58.29(4) 3_666 3_666 ?
Ag7 Ag37 Ag10 133.01(5) 3_666 3_666 ?
Ag7 Ag37 Ag38 61.89(4) 3_666 . ?
Ag7 Ag37 Ag39 83.37(5) 3_666 . ?
Ag38 Ag37 Ag6 98.51(5) . 3_666 ?
Ag38 Ag37 Ag10 131.81(5) . 3_666 ?
Ag39 Ag37 Ag5 77.77(5) . 3_666 ?
Ag39 Ag37 Ag6 58.52(4) . 3_666 ?
Ag39 Ag37 Ag10 143.06(6) . 3_666 ?
Ag39 Ag37 Ag38 64.81(4) . . ?
O25 Ag37 Ag5 49.7(3) 3_666 3_666 ?
O25 Ag37 Ag6 82.4(3) 3_666 3_666 ?
O25 Ag37 Ag7 115.4(3) 3_666 3_666 ?
O25 Ag37 Ag10 46.8(3) 3_666 3_666 ?
O25 Ag37 Ag38 175.4(3) 3_666 . ?
O25 Ag37 Ag39 119.1(3) 3_666 . ?
O42 Ag37 Ag5 117.4(3) . 3_666 ?
O42 Ag37 Ag6 140.5(2) . 3_666 ?
O42 Ag37 Ag7 94.7(3) . 3_666 ?
O42 Ag37 Ag10 48.4(2) . 3_666 ?
O42 Ag37 Ag38 91.3(2) . . ?
O42 Ag37 Ag39 153.9(2) . . ?
O42 Ag37 O25 85.3(3) . 3_666 ?
O42 Ag37 O48 86.0(3) . . ?
O48 Ag37 Ag5 65.6(2) . 3_666 ?
O48 Ag37 Ag6 133.0(2) . 3_666 ?
O48 Ag37 Ag7 145.9(2) . 3_666 ?
O48 Ag37 Ag10 70.1(2) . 3_666 ?
O48 Ag37 Ag38 84.0(2) . . ?
O48 Ag37 Ag39 81.5(2) . . ?
O48 Ag37 O25 98.7(4) . 3_666 ?
Ag6 Ag38 Ag39 116.94(5) . . ?
Ag7 Ag38 Ag6 117.53(5) 3_666 . ?
Ag7 Ag38 Ag6 57.11(4) . . ?
Ag7 Ag38 Ag7 104.42(4) . 3_666 ?
Ag7 Ag38 Ag37 55.47(4) 3_666 . ?
Ag7 Ag38 Ag37 114.41(5) . . ?
Ag7 Ag38 Ag39 59.90(4) . . ?
Ag7 Ag38 Ag39 75.17(4) 3_666 . ?
Ag7 Ag38 Ag39 78.02(4) . 3_666 ?
Ag7 Ag38 Ag39 60.90(4) 3_666 3_666 ?
Ag37 Ag38 Ag6 168.98(5) . . ?
Ag37 Ag38 Ag39 54.70(4) . . ?
Ag39 Ag38 Ag6 57.03(4) 3_666 . ?
Ag39 Ag38 Ag37 116.31(4) 3_666 . ?
Ag39 Ag38 Ag39 107.34(4) 3_666 . ?
O38 Ag38 Ag6 98.6(2) . . ?
O38 Ag38 Ag7 83.2(2) . 3_666 ?
O38 Ag38 Ag7 155.5(2) . . ?
O38 Ag38 Ag37 89.2(2) . . ?
O38 Ag38 Ag39 143.9(2) . . ?
O38 Ag38 Ag39 85.9(2) . 3_666 ?
O51 Ag38 Ag6 88.6(2) . . ?
O51 Ag38 Ag7 153.0(2) . 3_666 ?
O51 Ag38 Ag7 83.6(2) . . ?
O51 Ag38 Ag37 97.7(2) . . ?
O51 Ag38 Ag39 87.5(2) . . ?
O51 Ag38 Ag39 145.6(2) . 3_666 ?
O51 Ag38 O38 100.2(3) . . ?
Ag6 Ag39 Ag4 64.04(4) 3_666 3_666 ?
Ag6 Ag39 Ag7 121.23(5) 3_666 . ?
Ag6 Ag39 Ag38 62.21(4) 3_666 3_666 ?
Ag6 Ag39 Ag38 99.66(4) 3_666 . ?
Ag7 Ag39 Ag4 143.10(5) . 3_666 ?
Ag7 Ag39 Ag38 56.87(4) . . ?
Ag37 Ag39 Ag4 98.38(5) . 3_666 ?
Ag37 Ag39 Ag6 64.77(4) . 3_666 ?
Ag37 Ag39 Ag7 117.16(5) . . ?
Ag37 Ag39 Ag38 60.49(4) . . ?
Ag37 Ag39 Ag38 98.18(5) . 3_666 ?
Ag38 Ag39 Ag4 158.30(5) . 3_666 ?
Ag38 Ag39 Ag4 108.32(4) 3_666 3_666 ?
Ag38 Ag39 Ag7 59.45(4) 3_666 . ?
Ag38 Ag39 Ag38 72.66(4) 3_666 . ?
O45 Ag39 Ag4 59.0(3) 3_666 3_666 ?
O45 Ag39 Ag6 104.9(2) 3_666 3_666 ?
O45 Ag39 Ag7 86.0(3) 3_666 . ?
O45 Ag39 Ag37 156.8(3) 3_666 . ?
O45 Ag39 Ag38 94.3(2) 3_666 3_666 ?
O45 Ag39 Ag38 142.5(3) 3_666 . ?
O50 Ag39 Ag4 105.2(2) . 3_666 ?
O50 Ag39 Ag6 164.3(3) . 3_666 ?
O50 Ag39 Ag7 74.4(3) . . ?
O50 Ag39 Ag37 107.9(3) . . ?
O50 Ag39 Ag38 87.4(2) . . ?
O50 Ag39 Ag38 133.5(3) . 3_666 ?
O50 Ag39 O45 76.4(3) . 3_666 ?
Ag23 Ag40 Ag2 148.89(5) . . ?
Ag23 Ag40 Ag24 90.63(5) . . ?
Ag24 Ag40 Ag2 120.38(6) . . ?
Ag36 Ag40 Ag2 92.67(4) . . ?
Ag36 Ag40 Ag23 56.33(4) . . ?
Ag36 Ag40 Ag24 146.95(6) . . ?
S7 Ag40 Ag2 155.21(11) . . ?
S7 Ag40 Ag23 50.09(10) . . ?
S7 Ag40 Ag24 48.68(10) . . ?
S7 Ag40 Ag36 101.21(10) . . ?
S7 Ag40 S8 130.28(13) . . ?
S8 Ag40 Ag2 48.58(10) . . ?
S8 Ag40 Ag23 103.44(10) . . ?
S8 Ag40 Ag24 156.78(10) . . ?
S8 Ag40 Ag36 50.03(9) . . ?
O37 Ag40 Ag2 51.1(2) . . ?
O37 Ag40 Ag23 126.1(2) . . ?
O37 Ag40 Ag24 100.0(2) . . ?
O37 Ag40 Ag36 100.9(2) . . ?
O37 Ag40 S7 142.7(2) . . ?
O37 Ag40 S8 86.7(2) . . ?
O37 Mo1 Ag1A 61.9(4) . . ?
O37 Mo1 O44 76.6(4) . . ?
O38 Mo1 Ag1A 130.9(4) . . ?
O38 Mo1 O37 73.0(3) . . ?
O38 Mo1 O44 72.3(3) . . ?
O44 Mo1 Ag1A 112.2(4) . . ?
O45 Mo1 Ag1A 68.2(5) . . ?
O45 Mo1 O37 90.8(4) . . ?
O45 Mo1 O38 95.6(4) . . ?
O45 Mo1 O44 164.5(4) . . ?
O46 Mo1 Ag1A 43.7(5) . . ?
O46 Mo1 O37 84.0(4) . . ?
O46 Mo1 O38 149.7(4) . . ?
O46 Mo1 O44 83.5(4) . . ?
O46 Mo1 O45 104.4(5) . . ?
O46 Mo1 O47 103.3(4) . . ?
O47 Mo1 Ag1A 133.4(5) . . ?
O47 Mo1 O37 163.0(4) . . ?
O47 Mo1 O38 94.4(4) . . ?
O47 Mo1 O44 88.8(4) . . ?
O47 Mo1 O45 101.9(5) . . ?
O35 Mo2 O37 104.4(4) . . ?
O35 Mo2 O38 91.3(4) . . ?
O35 Mo2 O39 95.6(4) . . ?
O35 Mo2 O41 160.4(4) . . ?
O36 Mo2 O35 103.3(5) . . ?
O36 Mo2 O37 97.7(4) . . ?
O36 Mo2 O38 165.1(4) . . ?
O36 Mo2 O39 96.9(4) . . ?
O36 Mo2 O41 93.3(4) . . ?
O37 Mo2 O38 75.7(4) . . ?
O37 Mo2 O39 151.7(4) . . ?
O37 Mo2 O41 83.3(4) . . ?
O38 Mo2 O41 72.9(3) . . ?
O39 Mo2 O38 84.2(4) . . ?
O39 Mo2 O41 71.7(3) . . ?
O26 Mo3 O25 108.0(6) . . ?
O26 Mo3 O27 110.8(6) . . ?
O26 Mo3 O28 107.9(5) . . ?
O27 Mo3 O25 109.1(5) . . ?
O27 Mo3 O28 110.3(5) . . ?
O28 Mo3 O25 110.8(5) . . ?
O39 Mo4 O51 80.4(4) . . ?
O39 Mo4 O56 73.3(4) . . ?
O53 Mo4 O39 91.7(4) . . ?
O53 Mo4 O51 91.9(4) . . ?
O53 Mo4 O56 161.6(4) . . ?
O53 Mo4 O58 102.3(5) . . ?
O53 Mo4 O60 103.6(4) . . ?
O56 Mo4 O51 75.5(3) . . ?
O58 Mo4 O39 153.8(4) . . ?
O58 Mo4 O51 77.2(4) . . ?
O58 Mo4 O56 88.0(4) . . ?
O60 Mo4 O39 98.8(4) . . ?
O60 Mo4 O51 164.6(4) . . ?
O60 Mo4 O56 89.5(4) . . ?
O60 Mo4 O58 99.2(4) . . ?
O48 Mo5 O49 96.2(4) . . ?
O48 Mo5 O51 95.9(4) . . ?
O48 Mo5 O56 165.0(4) . . ?
O48 Mo5 O59 103.2(4) . . ?
O49 Mo5 O51 83.9(4) . . ?
O49 Mo5 O56 72.6(3) . . ?
O51 Mo5 O56 73.5(3) . . ?
O55 Mo5 O48 103.2(4) . . ?
O55 Mo5 O49 97.5(5) . . ?
O55 Mo5 O51 160.6(4) . . ?
O55 Mo5 O56 88.4(4) . . ?
O55 Mo5 O59 96.1(5) . . ?
O59 Mo5 O49 153.1(4) . . ?
O59 Mo5 O51 75.8(4) . . ?
O59 Mo5 O56 84.7(4) . . ?
O39 Mo6 O49 76.0(3) . . ?
O40 Mo6 O39 90.6(4) . . ?
O40 Mo6 O41 97.0(4) . . ?
O40 Mo6 O49 165.9(4) . . ?
O40 Mo6 O56 104.5(4) . . ?
O41 Mo6 O39 74.9(4) . . ?
O41 Mo6 O49 75.3(4) . . ?
O41 Mo6 O56 142.2(4) . . ?
O54 Mo6 O39 165.7(4) . . ?
O54 Mo6 O40 103.3(5) . . ?
O54 Mo6 O41 106.2(4) . . ?
O54 Mo6 O49 90.4(4) . . ?
O54 Mo6 O56 98.8(5) . . ?
O56 Mo6 O39 74.2(4) . . ?
O56 Mo6 O49 76.6(4) . . ?
O38 Mo7 O41 75.6(3) . . ?
O42 Mo7 O38 96.2(4) . . ?
O42 Mo7 O41 164.9(4) . . ?
O42 Mo7 O43 102.5(5) . . ?
O42 Mo7 O44 102.3(4) . . ?
O42 Mo7 O49 92.8(4) . . ?
O43 Mo7 O38 161.3(4) . . ?
O43 Mo7 O41 86.0(4) . . ?
O43 Mo7 O44 98.5(5) . . ?
O43 Mo7 O49 95.8(4) . . ?
O44 Mo7 O38 77.9(4) . . ?
O44 Mo7 O41 88.6(4) . . ?
O44 Mo7 O49 156.4(4) . . ?
O49 Mo7 O38 82.6(4) . . ?
O49 Mo7 O41 73.8(3) . . ?
O50 Mo8 O51 94.8(4) . . ?
O50 Mo8 O52 102.8(5) . . ?
O50 Mo8 O57 104.4(5) . . ?
O50 Mo8 O58 165.2(4) . . ?
O50 Mo8 O59 91.5(4) . . ?
O51 Mo8 O58 73.8(3) . . ?
O51 Mo8 O59 72.7(4) . . ?
O52 Mo8 O51 94.0(4) . . ?
O52 Mo8 O57 102.2(5) . . ?
O52 Mo8 O58 87.5(4) . . ?
O52 Mo8 O59 161.4(4) . . ?
O57 Mo8 O51 151.3(4) . . ?
O57 Mo8 O58 83.3(4) . . ?
O57 Mo8 O59 85.5(4) . . ?
O59 Mo8 O58 76.4(4) . . ?
S1A S1 O1 175.6(17) . . ?
S1A S1 O2 86(2) . . ?
S1A S1 O2A 65.0(17) . . ?
S1A S1 O3 72.2(14) . . ?
S1A S1 C129 70.9(17) . . ?
O1 S1 O2A 112.1(10) . . ?
O1 S1 O3 112.3(9) . . ?
O1 S1 C129 107.7(15) . . ?
O2 S1 O1 90(2) . . ?
O2 S1 O2A 22(2) . . ?
O2 S1 O3 127(2) . . ?
O2 S1 C129 113(2) . . ?
O2A S1 O3 111.2(9) . . ?
O2A S1 C129 108.6(18) . . ?
O3 S1 C129 104.6(11) . . ?
S1 S1A F2A 124.6(19) . . ?
S1 S1A O1A 169(2) . . ?
S1 S1A O2 58.8(18) . . ?
S1 S1A O2A 81.5(16) . . ?
S1 S1A O3 75.2(13) . . ?
S1 S1A C129 82.7(18) . . ?
O1A S1A F2A 61.9(13) . . ?
O1A S1A C129 101.8(15) . . ?
O2 S1A F2A 134(2) . . ?
O2 S1A O1A 111(2) . . ?
O2 S1A O3 114.3(19) . . ?
O2 S1A C129 107.7(19) . . ?
O2A S1A F2A 128.3(17) . . ?
O2A S1A O1A 87.9(16) . . ?
O2A S1A O2 23.5(16) . . ?
O2A S1A O3 120.4(17) . . ?
O2A S1A C129 120.3(16) . . ?
O3 S1A F2A 109.9(11) . . ?
O3 S1A O1A 111.6(17) . . ?
O3 S1A C129 110.1(11) . . ?
C129 S1A F2A 42.7(8) . . ?
Ag21 S2 Ag27 98.50(16) . . ?
Ag21 S2 Ag36 136.18(17) . . ?
Ag23 S2 Ag21 75.15(12) . . ?
Ag23 S2 Ag27 138.62(18) . . ?
Ag23 S2 Ag36 72.19(12) . . ?
Ag27 S2 Ag36 87.55(14) . . ?
C37 S2 Ag21 111.7(6) . . ?
C37 S2 Ag23 109.7(6) . . ?
C37 S2 Ag27 110.5(6) . . ?
C37 S2 Ag36 106.4(6) . . ?
O16 S3 O17 112.6(8) . . ?
O16 S3 O18 108.8(8) . . ?
O16 S3 C128 111.0(12) . . ?
O17 S3 O18 106.2(8) . . ?
O17 S3 C128 118.9(13) . . ?
O18 S3 C128 97.8(12) . . ?
Ag17 S4 Ag19 104.71(15) . . ?
Ag17 S4 Ag33 73.62(12) . . ?
Ag17 S4 Ag35 134.27(18) . . ?
Ag19 S4 Ag33 139.77(17) . . ?
Ag35 S4 Ag19 81.88(14) . . ?
Ag35 S4 Ag33 73.33(12) . . ?
C55 S4 Ag17 110.0(10) . . ?
C55 S4 Ag19 115.7(11) . . ?
C55 S4 Ag33 101.8(11) . . ?
C55 S4 Ag35 106.9(11) . . ?
O19 S5 O20 112.0(10) . . ?
O19 S5 C131 105.9(12) . . ?
O20 S5 C131 102.2(15) . . ?
O21 S5 O19 116.6(9) . . ?
O21 S5 O20 114.6(10) . . ?
O21 S5 C131 103.6(12) . . ?
O13 S6 C127 102.8(12) . . ?
O14 S6 O13 113.5(11) . . ?
O14 S6 O15 114.5(10) . . ?
O14 S6 C127 103.6(15) . . ?
O15 S6 O13 116.2(11) . . ?
O15 S6 C127 104.0(13) . . ?
Ag22 S7 Ag23 87.39(16) . . ?
Ag22 S7 Ag40 129.37(17) . . ?
Ag23 S7 Ag40 75.70(11) . . ?
Ag24 S7 Ag22 79.26(13) . . ?
Ag24 S7 Ag23 131.30(18) . . ?
Ag24 S7 Ag40 77.51(13) . . ?
C19 S7 Ag22 108.4(6) . . ?
C19 S7 Ag23 117.3(6) . . ?
C19 S7 Ag24 111.4(7) . . ?
C19 S7 Ag40 121.9(6) . . ?
Ag2 S8 Ag40 77.64(12) . . ?
Ag28 S8 Ag2 102.50(16) . . ?
Ag28 S8 Ag40 143.54(17) . . ?
Ag36 S8 Ag2 135.42(17) . . ?
Ag36 S8 Ag28 81.86(13) . . ?
Ag36 S8 Ag40 74.13(11) . . ?
C31 S8 Ag2 107.9(7) . . ?
C31 S8 Ag28 111.6(5) . . ?
C31 S8 Ag36 111.4(7) . . ?
C31 S8 Ag40 102.6(5) . . ?
O10 S9 C133 101.6(10) . . ?
O11 S9 O10 115.4(9) . . ?
O11 S9 O12 116.4(10) . . ?
O11 S9 C133 104.8(11) . . ?
O12 S9 O10 114.5(8) . . ?
O12 S9 C133 101.1(9) . . ?
Ag1A S10 Ag1 21.3(5) . . ?
Ag1A S10 Ag2 75.7(5) . . ?
Ag1A S10 Ag3 131.9(5) . . ?
Ag2 S10 Ag1 96.78(18) . . ?
Ag2 S10 Ag3 80.77(14) . . ?
Ag3 S10 Ag1 141.3(2) . . ?
C1 S10 Ag1 108.8(10) . . ?
C1 S10 Ag1A 116.7(13) . . ?
C1 S10 Ag2 103.6(11) . . ?
C1 S10 Ag3 109.3(11) . . ?
Ag1 S11 Ag13 148.24(19) . 3_666 ?
Ag14 S11 Ag1 68.95(11) 3_666 . ?
Ag14 S11 Ag13 113.32(16) 3_666 3_666 ?
Ag14 S11 Ag26 124.28(18) 3_666 . ?
Ag26 S11 Ag1 84.66(15) . . ?
Ag26 S11 Ag13 67.81(11) . 3_666 ?
C13 S11 Ag1 100.5(6) . . ?
C13 S11 Ag13 104.4(6) . 3_666 ?
C13 S11 Ag14 120.0(6) . 3_666 ?
C13 S11 Ag26 112.4(6) . . ?
Ag9 S12 Ag25 76.65(12) 3_666 . ?
Ag24 S12 Ag9 79.17(13) . 3_666 ?
Ag24 S12 Ag25 130.42(16) . . ?
Ag24 S12 Ag26 90.85(15) . . ?
Ag26 S12 Ag9 133.24(17) . 3_666 ?
Ag26 S12 Ag25 75.94(12) . . ?
C26 S12 Ag9 110.4(14) . 3_666 ?
C26 S12 Ag24 115.8(13) . . ?
C26 S12 Ag25 113.1(13) . . ?
C26 S12 Ag26 115.0(14) . . ?
Ag11 S13 Ag13 136.79(15) 3_666 3_666 ?
Ag12 S13 Ag11 81.68(12) 3_666 3_666 ?
Ag12 S13 Ag13 79.34(12) 3_666 3_666 ?
Ag12 S13 Ag25 133.17(15) 3_666 . ?
Ag25 S13 Ag11 90.23(13) . 3_666 ?
Ag25 S13 Ag13 75.68(11) . 3_666 ?
C91 S13 Ag11 114.2(6) . 3_666 ?
C91 S13 Ag12 113.3(5) . 3_666 ?
C91 S13 Ag13 109.0(6) . 3_666 ?
C91 S13 Ag25 112.1(5) . . ?
Ag3 S14 Ag4 73.59(12) . . ?
Ag8 S14 Ag3 152.72(19) . . ?
Ag8 S14 Ag4 108.56(16) . . ?
Ag31 S14 Ag3 81.60(14) . . ?
Ag31 S14 Ag4 121.32(16) . . ?
Ag31 S14 Ag8 74.19(12) . . ?
C67 S14 Ag3 99.3(6) . . ?
C67 S14 Ag4 121.1(6) . . ?
C67 S14 Ag8 102.1(6) . . ?
C67 S14 Ag31 114.8(6) . . ?
O7 S15 O9 115.8(9) . . ?
O7 S15 C134 106.0(8) . . ?
O8 S15 O7 114.0(9) . . ?
O8 S15 O9 113.8(10) . . ?
O8 S15 C134 105.2(10) . . ?
O9 S15 C134 100.1(10) . . ?
Ag29 S16 Ag28 93.08(14) . . ?
Ag29 S16 Ag30 81.34(13) . . ?
Ag29 S16 Ag31 128.97(16) . . ?
Ag30 S16 Ag28 144.55(16) . . ?
Ag31 S16 Ag28 82.42(12) . . ?
Ag31 S16 Ag30 74.60(12) . . ?
C73 S16 Ag28 110.1(5) . . ?
C73 S16 Ag29 115.8(6) . . ?
C73 S16 Ag30 103.7(5) . . ?
C73 S16 Ag31 113.3(6) . . ?
Ag8 S17 Ag11 80.70(11) . . ?
Ag30 S17 Ag8 72.65(11) . . ?
Ag30 S17 Ag11 129.14(14) . . ?
Ag32 S17 Ag8 135.37(15) . . ?
Ag32 S17 Ag11 81.07(12) . . ?
Ag32 S17 Ag30 88.46(13) . . ?
C62 S17 Ag8 111.4(5) . . ?
C62 S17 Ag11 113.2(6) . . ?
C62 S17 Ag30 116.6(6) . . ?
C62 S17 Ag32 113.2(5) . . ?
O4 S18 C130 103.6(7) . . ?
O5 S18 O4 112.7(6) . . ?
O5 S18 O6 115.5(7) . . ?
O5 S18 C130 104.7(7) . . ?
O6 S18 O4 114.9(7) . . ?
O6 S18 C130 103.7(7) . . ?
Ag12 S19 Ag32 72.56(11) . . ?
Ag12 S19 Ag33 91.71(12) . . ?
Ag12 S19 Ag34 132.03(16) . . ?
Ag32 S19 Ag33 124.37(15) . . ?
Ag32 S19 Ag34 76.35(12) . . ?
Ag34 S19 Ag33 76.78(11) . . ?
C49 S19 Ag12 112.8(5) . . ?
C49 S19 Ag32 112.4(5) . . ?
C49 S19 Ag33 122.7(5) . . ?
C49 S19 Ag34 112.5(5) . . ?
Ag27 S20 Ag34 144.91(17) . . ?
Ag29 S20 Ag27 89.44(15) . . ?
Ag29 S20 Ag34 84.13(15) . . ?
Ag29 S20 Ag35 123.97(17) . . ?
Ag35 S20 Ag27 82.49(14) . . ?
Ag35 S20 Ag34 72.97(12) . . ?
C43 S20 Ag27 108.7(14) . . ?
C43 S20 Ag29 119.7(10) . . ?
C43 S20 Ag34 104.4(13) . . ?
C43 S20 Ag35 115.3(9) . . ?
Ag15 S21 Ag16 125.3(2) . . ?
Ag15 S21 Ag17 77.24(14) . . ?
Ag16 S21 Ag17 73.58(14) . . ?
C79 S21 Ag15 111.0(9) . . ?
C79 S21 Ag16 118.4(9) . . ?
C79 S21 Ag17 98.7(10) . . ?
Ag4 S22 Ag5 79.83(14) . . ?
Ag4 S22 Ag14 103.86(17) . 3_666 ?
Ag5 S22 Ag14 131.3(2) . 3_666 ?
C7 S22 Ag4 110.1(8) . . ?
C7 S22 Ag5 104.5(6) . . ?
C7 S22 Ag14 118.6(7) . 3_666 ?
Ag9 S23 Ag20 128.25(16) . 3_666 ?
Ag9 S23 Ag22 77.63(13) . 3_666 ?
Ag10 S23 Ag9 95.30(15) . . ?
Ag10 S23 Ag20 73.51(12) . 3_666 ?
Ag10 S23 Ag22 142.32(17) . 3_666 ?
Ag22 S23 Ag20 82.08(13) 3_666 3_666 ?
C103 S23 Ag9 113.2(7) . . ?
C103 S23 Ag10 113.0(8) . . ?
C103 S23 Ag20 117.7(7) . 3_666 ?
C103 S23 Ag22 103.7(8) . 3_666 ?
Ag18 S24 Ag19 78.34(13) . . ?
Ag18 S24 Ag20 72.80(12) . . ?
Ag18 S24 Ag21 137.84(18) . . ?
Ag20 S24 Ag19 139.71(18) . . ?
Ag20 S24 Ag21 84.69(14) . . ?
Ag21 S24 Ag19 99.04(14) . . ?
C97 S24 Ag18 105.6(7) . . ?
C97 S24 Ag19 112.5(6) . . ?
C97 S24 Ag20 102.1(6) . . ?
C97 S24 Ag21 113.9(7) . . ?
Ag10 S25 Ag5 86.01(15) 3_666 3_666 ?
Ag16 S25 Ag5 86.02(15) . 3_666 ?
Ag16 S25 Ag10 142.17(19) . 3_666 ?
Ag16 S25 Ag18 85.35(14) . . ?
Ag18 S25 Ag5 136.33(18) . 3_666 ?
Ag18 S25 Ag10 75.41(13) . 3_666 ?
C85 S25 Ag5 114.7(6) . 3_666 ?
C85 S25 Ag10 104.6(6) . 3_666 ?
C85 S25 Ag16 112.3(6) . . ?
C85 S25 Ag18 108.2(7) . . ?
O22 S26 O23 113.1(16) . . ?
O22 S26 O24 113.7(13) . . ?
O22 S26 C132 107.1(17) . . ?
O23 S26 C132 100.7(10) . . ?
O24 S26 O23 115.6(14) . . ?
O24 S26 C132 105.0(14) . . ?
F1A F1 C129 67(3) . . ?
F1 F1A F2 122(4) . . ?
F1 F1A C129 67(3) . . ?
F2 F1A C129 55(2) . . ?
F1A F2 F2A 143(4) . . ?
F1A F2 C129 74(3) . . ?
C129 F2 F2A 69(2) . . ?
F2 F2A S1A 90(2) . . ?
F2 F2A C129 52.6(19) . . ?
C129 F2A S1A 52.4(12) . . ?
S1 O1 Ag27 113.4(13) . . ?
S1A O1A Ag28 114.1(14) . . ?
S1 O2 S1A 34.9(11) . . ?
O2A O2 S1 104(5) . . ?
O2A O2 S1A 70(4) . . ?
S1A O2A S1 33.5(7) . . ?
O2 O2A S1 54(4) . . ?
O2 O2A S1A 87(4) . . ?
S1A O3 S1 32.6(7) . . ?
S18 O5 Ag32 106.1(5) . . ?
S15 O7 Ag28 115.6(7) . . ?
Ag1 O12 Ag1A 21.7(4) . . ?
S9 O12 Ag1 125.1(7) . . ?
S9 O12 Ag1A 107.6(8) . . ?
S6 O15 Ag21 122.2(8) . . ?
S3 O16 Ag21 116.7(9) . . ?
S3 O17 Ag19 134.6(10) . . ?
S3 O18 Ag27 113.6(9) . . ?
S5 O19 Ag19 108.3(7) . . ?
S26 O23 Ag15 122.8(10) . . ?
Ag5 O25 Ag10 98.1(4) . . ?
Ag5 O25 Ag37 75.1(3) . 3_666 ?
Ag37 O25 Ag10 87.2(4) 3_666 . ?
Mo3 O25 Ag5 140.3(6) . . ?
Mo3 O25 Ag10 121.2(5) . . ?
Mo3 O25 Ag37 109.6(5) . 3_666 ?
Ag9 O27 Ag25 80.4(3) . 3_666 ?
Mo3 O27 Ag9 135.9(6) . . ?
Mo3 O27 Ag25 139.6(6) . 3_666 ?
Ag6 O28 Ag11 102.5(4) . . ?
Ag8 O28 Ag6 83.6(4) . . ?
Ag8 O28 Ag11 83.0(3) . . ?
Mo3 O28 Ag6 109.8(5) . . ?
Mo3 O28 Ag8 152.7(6) . . ?
Mo3 O28 Ag11 115.3(5) . . ?
C111 O31 Ag22 122.8(16) . . ?
C118 O33 Ag13 129(2) . . ?
C112 O34 Ag3 119.1(14) . . ?
Ag4 O35 Ag6 85.5(3) . . ?
Mo2 O35 Ag4 136.9(5) . . ?
Mo2 O35 Ag6 135.2(5) . . ?
Mo2 O36 Ag31 125.0(5) . . ?
Ag40 O37 Ag2 79.1(3) . . ?
Mo1 O37 Ag2 137.0(4) . . ?
Mo1 O37 Ag40 106.8(4) . . ?
Mo2 O37 Ag2 108.1(4) . . ?
Mo2 O37 Ag40 115.2(4) . . ?
Mo2 O37 Mo1 107.2(4) . . ?
Mo1 O38 Ag38 121.7(4) . . ?
Mo1 O38 Mo2 97.6(4) . . ?
Mo1 O38 Mo7 100.1(3) . . ?
Mo2 O38 Ag38 111.3(3) . . ?
Mo7 O38 Ag38 116.2(4) . . ?
Mo7 O38 Mo2 107.7(4) . . ?
Mo2 O39 Mo4 147.3(5) . . ?
Mo2 O39 Mo6 106.9(4) . . ?
Mo4 O39 Mo6 104.1(4) . . ?
Mo6 O40 Ag29 155.2(6) . . ?
Mo6 O41 Mo2 103.1(3) . . ?
Mo6 O41 Mo7 103.7(4) . . ?
Mo7 O41 Mo2 103.6(4) . . ?
Ag37 O42 Ag10 88.3(3) . 3_666 ?
Mo7 O42 Ag10 124.2(5) . 3_666 ?
Mo7 O42 Ag37 129.3(5) . . ?
Ag23 O43 Ag20 99.9(3) . . ?
Mo7 O43 Ag20 135.3(5) . . ?
Mo7 O43 Ag23 124.8(5) . . ?
Mo7 O44 Mo1 106.8(4) . . ?
Mo1 O45 Ag39 121.2(5) . 3_666 ?
Ag1A O46 Ag1 22.4(5) . . ?
Ag1A O46 Ag26 108.8(6) . . ?
Ag26 O46 Ag1 87.8(3) . . ?
Mo1 O46 Ag1 110.2(5) . . ?
Mo1 O46 Ag1A 103.7(6) . . ?
Mo1 O46 Ag26 122.1(5) . . ?
Ag7 O47 Ag25 96.7(3) 3_666 . ?
Mo1 O47 Ag7 118.7(5) . 3_666 ?
Mo1 O47 Ag25 140.3(5) . . ?
Mo5 O48 Ag37 129.9(5) . . ?
Mo5 O49 Mo6 106.3(4) . . ?
Mo5 O49 Mo7 150.1(5) . . ?
Mo7 O49 Mo6 102.7(4) . . ?
Ag39 O50 Ag14 101.5(4) . . ?
Mo8 O50 Ag14 124.8(5) . . ?
Mo8 O50 Ag39 132.3(5) . . ?
Mo4 O51 Ag38 118.2(4) . . ?
Mo5 O51 Ag38 110.9(4) . . ?
Mo5 O51 Mo4 107.4(4) . . ?
Mo8 O51 Ag38 120.1(4) . . ?
Mo8 O51 Mo4 98.2(4) . . ?
Mo8 O51 Mo5 99.8(4) . . ?
Mo8 O52 Ag7 109.2(5) . . ?
Ag6 O53 Ag8 86.9(3) . . ?
Mo4 O53 Ag6 134.4(5) . . ?
Mo4 O53 Ag8 127.7(5) . . ?
Mo5 O55 Ag18 126.2(5) . . ?
Mo4 O56 Mo5 103.3(4) . . ?
Mo6 O56 Mo4 104.0(4) . . ?
Mo6 O56 Mo5 101.2(4) . . ?
Ag15 O57 Ag13 100.5(4) . . ?
Mo8 O57 Ag13 124.7(5) . . ?
Mo8 O57 Ag15 115.9(5) . . ?
Mo4 O58 Ag33 111.7(4) . . ?
Mo4 O58 Mo8 106.6(4) . . ?
Mo8 O58 Ag33 101.5(4) . . ?
Mo5 O59 Ag33 113.3(4) . . ?
Mo5 O59 Mo8 106.7(4) . . ?
Mo8 O59 Ag33 106.7(4) . . ?
Ag34 O60 Ag30 104.6(3) . . ?
Mo4 O60 Ag30 131.6(5) . . ?
Mo4 O60 Ag34 121.9(5) . . ?
C109 N1 C110 118(3) . . ?
C111 N1 C109 119(3) . . ?
C111 N1 C110 122(3) . . ?
C112 N3 C113 122(2) . . ?
C112 N3 C114 120(2) . . ?
C114 N3 C113 119(2) . . ?
C118 N4 C119 125(3) . . ?
C118 N4 C120 119(3) . . ?
C119 N4 C120 115(3) . . ?
S10 C1 H1 97.0 . . ?
C2 C1 S10 122(2) . . ?
C2 C1 H1 97.0 . . ?
C2 C1 C6 121(3) . . ?
C6 C1 S10 112.0(19) . . ?
C6 C1 H1 97.0 . . ?
C1 C2 H2A 107.7 . . ?
C1 C2 H2B 107.7 . . ?
C1 C2 C3 119(3) . . ?
H2A C2 H2B 107.1 . . ?
C3 C2 H2A 107.7 . . ?
C3 C2 H2B 107.7 . . ?
C2 C3 H3A 109.5 . . ?
C2 C3 H3B 109.5 . . ?
H3A C3 H3B 108.1 . . ?
C4 C3 C2 111(2) . . ?
C4 C3 H3A 109.5 . . ?
C4 C3 H3B 109.5 . . ?
C3 C4 H4A 107.8 . . ?
C3 C4 H4B 107.8 . . ?
H4A C4 H4B 107.1 . . ?
C5 C4 C3 118(3) . . ?
C5 C4 H4A 107.8 . . ?
C5 C4 H4B 107.8 . . ?
C4 C5 H5A 107.1 . . ?
C4 C5 H5B 107.1 . . ?
C4 C5 C6 121(3) . . ?
H5A C5 H5B 106.8 . . ?
C6 C5 H5A 107.1 . . ?
C6 C5 H5B 107.1 . . ?
C1 C6 H6A 109.5 . . ?
C1 C6 H6B 109.5 . . ?
C5 C6 C1 111(2) . . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
H6A C6 H6B 108.1 . . ?
S22 C7 H7 105.6 . . ?
C8 C7 S22 117.6(17) . . ?
C8 C7 H7 105.6 . . ?
C8 C7 C12 110.7(14) . . ?
C12 C7 S22 110.7(11) . . ?
C12 C7 H7 105.6 . . ?
C7 C8 H8A 108.9 . . ?
C7 C8 H8B 108.9 . . ?
C7 C8 C9 113.3(16) . . ?
H8A C8 H8B 107.7 . . ?
C9 C8 H8A 108.9 . . ?
C9 C8 H8B 108.9 . . ?
C8 C9 H9A 109.4 . . ?
C8 C9 H9B 109.4 . . ?
H9A C9 H9B 108.0 . . ?
C10 C9 C8 111.1(17) . . ?
C10 C9 H9A 109.4 . . ?
C10 C9 H9B 109.4 . . ?
C9 C10 H10A 109.4 . . ?
C9 C10 H10B 109.4 . . ?
C9 C10 C11 111.2(16) . . ?
H10A C10 H10B 108.0 . . ?
C11 C10 H10A 109.4 . . ?
C11 C10 H10B 109.4 . . ?
C10 C11 H11A 109.2 . . ?
C10 C11 H11B 109.2 . . ?
C10 C11 C12 111.9(17) . . ?
H11A C11 H11B 107.9 . . ?
C12 C11 H11A 109.2 . . ?
C12 C11 H11B 109.2 . . ?
C7 C12 H12A 109.1 . . ?
C7 C12 H12B 109.1 . . ?
C11 C12 C7 112.3(15) . . ?
C11 C12 H12A 109.1 . . ?
C11 C12 H12B 109.1 . . ?
H12A C12 H12B 107.9 . . ?
S11 C13 H13 105.7 . . ?
C14 C13 S11 111.3(12) . . ?
C14 C13 H13 105.7 . . ?
C14 C13 C18 116.5(15) . . ?
C18 C13 S11 111.1(12) . . ?
C18 C13 H13 105.7 . . ?
C13 C14 H14A 109.9 . . ?
C13 C14 H14B 109.9 . . ?
C13 C14 C15 109.1(16) . . ?
H14A C14 H14B 108.3 . . ?
C15 C14 H14A 109.9 . . ?
C15 C14 H14B 109.9 . . ?
C14 C15 H15A 108.1 . . ?
C14 C15 H15B 108.1 . . ?
H15A C15 H15B 107.3 . . ?
C16 C15 C14 117(2) . . ?
C16 C15 H15A 108.1 . . ?
C16 C15 H15B 108.1 . . ?
C15 C16 H16A 108.8 . . ?
C15 C16 H16B 108.8 . . ?
C15 C16 C17 113.9(19) . . ?
H16A C16 H16B 107.7 . . ?
C17 C16 H16A 108.8 . . ?
C17 C16 H16B 108.8 . . ?
C16 C17 H17A 109.3 . . ?
C16 C17 H17B 109.3 . . ?
H17A C17 H17B 107.9 . . ?
C18 C17 C16 111.7(18) . . ?
C18 C17 H17A 109.3 . . ?
C18 C17 H17B 109.3 . . ?
C13 C18 H18A 109.3 . . ?
C13 C18 H18B 109.3 . . ?
C17 C18 C13 111.4(17) . . ?
C17 C18 H18A 109.3 . . ?
C17 C18 H18B 109.3 . . ?
H18A C18 H18B 108.0 . . ?
S7 C19 H19 108.2 . . ?
C20 C19 S7 111.4(12) . . ?
C20 C19 H19 108.2 . . ?
C24 C19 S7 110.2(12) . . ?
C24 C19 H19 108.2 . . ?
C24 C19 C20 110.6(16) . . ?
C19 C20 H20A 109.8 . . ?
C19 C20 H20B 109.8 . . ?
H20A C20 H20B 108.2 . . ?
C21 C20 C19 109.5(15) . . ?
C21 C20 H20A 109.8 . . ?
C21 C20 H20B 109.8 . . ?
C20 C21 H21A 109.0 . . ?
C20 C21 H21B 109.0 . . ?
H21A C21 H21B 107.8 . . ?
C22 C21 C20 112.8(17) . . ?
C22 C21 H21A 109.0 . . ?
C22 C21 H21B 109.0 . . ?
C21 C22 H22A 109.2 . . ?
C21 C22 H22B 109.2 . . ?
H22A C22 H22B 107.9 . . ?
C23 C22 C21 112.2(19) . . ?
C23 C22 H22A 109.2 . . ?
C23 C22 H22B 109.2 . . ?
C22 C23 H23A 110.1 . . ?
C22 C23 H23B 110.1 . . ?
C22 C23 C24 108.1(15) . . ?
H23A C23 H23B 108.4 . . ?
C24 C23 H23A 110.1 . . ?
C24 C23 H23B 110.1 . . ?
C19 C24 C23 110.8(15) . . ?
C19 C24 H24A 109.5 . . ?
C19 C24 H24B 109.5 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 108.1 . . ?
H25A C25 H25B 107.1 . . ?
C26 C25 H25A 107.8 . . ?
C26 C25 H25B 107.8 . . ?
C26 C25 C30 118(3) . . ?
C30 C25 H25A 107.8 . . ?
C30 C25 H25B 107.8 . . ?
S12 C26 H26 107.6 . . ?
C25 C26 S12 111(3) . . ?
C25 C26 H26 107.6 . . ?
C25 C26 C27 110(3) . . ?
C27 C26 S12 112(2) . . ?
C27 C26 H26 107.6 . . ?
C26 C27 H27A 110.5 . . ?
C26 C27 H27B 110.5 . . ?
C26 C27 C29 106(3) . . ?
H27A C27 H27B 108.7 . . ?
C29 C27 H27A 110.5 . . ?
C29 C27 H27B 110.5 . . ?
H28A C28 H28B 107.5 . . ?
C29 C28 H28A 108.5 . . ?
C29 C28 H28B 108.5 . . ?
C30 C28 H28A 108.5 . . ?
C30 C28 H28B 108.5 . . ?
C30 C28 C29 115(4) . . ?
C27 C29 H29A 109.6 . . ?
C27 C29 H29B 109.6 . . ?
C28 C29 C27 110(3) . . ?
C28 C29 H29A 109.6 . . ?
C28 C29 H29B 109.6 . . ?
H29A C29 H29B 108.1 . . ?
C25 C30 H30A 112.4 . . ?
C25 C30 H30B 112.4 . . ?
C28 C30 C25 97(3) . . ?
C28 C30 H30A 112.4 . . ?
C28 C30 H30B 112.4 . . ?
H30A C30 H30B 109.9 . . ?
S8 C31 H31 108.8 . . ?
C32 C31 S8 109.5(13) . . ?
C32 C31 H31 108.8 . . ?
C36 C31 S8 110.3(13) . . ?
C36 C31 H31 108.8 . . ?
C36 C31 C32 110.7(18) . . ?
C31 C32 H32A 109.6 . . ?
C31 C32 H32B 109.6 . . ?
C31 C32 C33 110(2) . . ?
H32A C32 H32B 108.1 . . ?
C33 C32 H32A 109.6 . . ?
C33 C32 H32B 109.6 . . ?
C32 C33 H33A 109.7 . . ?
C32 C33 H33B 109.7 . . ?
H33A C33 H33B 108.2 . . ?
C34 C33 C32 110(3) . . ?
C34 C33 H33A 109.7 . . ?
C34 C33 H33B 109.7 . . ?
C33 C34 H34A 108.5 . . ?
C33 C34 H34B 108.5 . . ?
C33 C34 C35 115(2) . . ?
H34A C34 H34B 107.5 . . ?
C35 C34 H34A 108.5 . . ?
C35 C34 H34B 108.5 . . ?
C34 C35 H35A 110.1 . . ?
C34 C35 H35B 110.1 . . ?
C34 C35 C36 108(2) . . ?
H35A C35 H35B 108.5 . . ?
C36 C35 H35A 110.1 . . ?
C36 C35 H35B 110.1 . . ?
C31 C36 C35 109.9(19) . . ?
C31 C36 H36A 109.7 . . ?
C31 C36 H36B 109.7 . . ?
C35 C36 H36A 109.7 . . ?
C35 C36 H36B 109.7 . . ?
H36A C36 H36B 108.2 . . ?
S2 C37 H37 107.4 . . ?
C38 C37 S2 110.7(13) . . ?
C38 C37 H37 107.4 . . ?
C42 C37 S2 111.1(14) . . ?
C42 C37 H37 107.4 . . ?
C42 C37 C38 112.6(18) . . ?
C37 C38 H38A 110.1 . . ?
C37 C38 H38B 110.1 . . ?
C37 C38 C39 108.2(19) . . ?
H38A C38 H38B 108.4 . . ?
C39 C38 H38A 110.1 . . ?
C39 C38 H38B 110.1 . . ?
C38 C39 H39A 109.8 . . ?
C38 C39 H39B 109.8 . . ?
H39A C39 H39B 108.2 . . ?
C40 C39 C38 109(2) . . ?
C40 C39 H39A 109.8 . . ?
C40 C39 H39B 109.8 . . ?
C39 C40 H40A 108.8 . . ?
C39 C40 H40B 108.8 . . ?
H40A C40 H40B 107.7 . . ?
C41 C40 C39 114(2) . . ?
C41 C40 H40A 108.8 . . ?
C41 C40 H40B 108.8 . . ?
C40 C41 H41A 110.2 . . ?
C40 C41 H41B 110.2 . . ?
C40 C41 C42 107(2) . . ?
H41A C41 H41B 108.5 . . ?
C42 C41 H41A 110.2 . . ?
C42 C41 H41B 110.2 . . ?
C37 C42 C41 112(2) . . ?
C37 C42 H42A 109.2 . . ?
C37 C42 H42B 109.2 . . ?
C41 C42 H42A 109.2 . . ?
C41 C42 H42B 109.2 . . ?
H42A C42 H42B 107.9 . . ?
S20 C43 H43 96.8 . . ?
C44 C43 S20 116(2) . . ?
C44 C43 H43 96.8 . . ?
C44 C43 C48 126(3) . . ?
C48 C43 S20 113.5(18) . . ?
C48 C43 H43 96.8 . . ?
C43 C44 H44A 108.6 . . ?
C43 C44 H44B 108.6 . . ?
C43 C44 C45 115(3) . . ?
H44A C44 H44B 107.6 . . ?
C45 C44 H44A 108.6 . . ?
C45 C44 H44B 108.6 . . ?
C44 C45 H45A 110.0 . . ?
C44 C45 H45B 110.0 . . ?
H45A C45 H45B 108.3 . . ?
C46 C45 C44 109(2) . . ?
C46 C45 H45A 110.0 . . ?
C46 C45 H45B 110.0 . . ?
C45 C46 H46A 108.8 . . ?
C45 C46 H46B 108.8 . . ?
H46A C46 H46B 107.7 . . ?
C47 C46 C45 114(3) . . ?
C47 C46 H46A 108.8 . . ?
C47 C46 H46B 108.8 . . ?
C46 C47 H47A 107.7 . . ?
C46 C47 H47B 107.7 . . ?
C46 C47 C48 118(3) . . ?
H47A C47 H47B 107.1 . . ?
C48 C47 H47A 107.7 . . ?
C48 C47 H47B 107.7 . . ?
C43 C48 C47 110(2) . . ?
C43 C48 H48A 109.6 . . ?
C43 C48 H48B 109.6 . . ?
C47 C48 H48A 109.6 . . ?
C47 C48 H48B 109.6 . . ?
H48A C48 H48B 108.1 . . ?
S19 C49 H49 108.1 . . ?
C50 C49 S19 110.3(11) . . ?
C50 C49 H49 108.1 . . ?
C54 C49 S19 109.4(11) . . ?
C54 C49 H49 108.1 . . ?
C54 C49 C50 112.5(13) . . ?
C49 C50 H50A 109.5 . . ?
C49 C50 H50B 109.5 . . ?
H50A C50 H50B 108.1 . . ?
C51 C50 C49 110.7(16) . . ?
C51 C50 H50A 109.5 . . ?
C51 C50 H50B 109.5 . . ?
C50 C51 H51A 109.3 . . ?
C50 C51 H51B 109.3 . . ?
C50 C51 C52 111.5(15) . . ?
H51A C51 H51B 108.0 . . ?
C52 C51 H51A 109.3 . . ?
C52 C51 H51B 109.3 . . ?
C51 C52 H52A 109.3 . . ?
C51 C52 H52B 109.3 . . ?
H52A C52 H52B 107.9 . . ?
C53 C52 C51 111.8(15) . . ?
C53 C52 H52A 109.3 . . ?
C53 C52 H52B 109.3 . . ?
C52 C53 H53A 109.1 . . ?
C52 C53 H53B 109.1 . . ?
C52 C53 C54 112.5(17) . . ?
H53A C53 H53B 107.8 . . ?
C54 C53 H53A 109.1 . . ?
C54 C53 H53B 109.1 . . ?
C49 C54 C53 109.7(14) . . ?
C49 C54 H54A 109.7 . . ?
C49 C54 H54B 109.7 . . ?
C53 C54 H54A 109.7 . . ?
C53 C54 H54B 109.7 . . ?
H54A C54 H54B 108.2 . . ?
S4 C55 H55 100.8 . . ?
C56 C55 S4 117(2) . . ?
C56 C55 H55 100.8 . . ?
C56 C55 C60 124(3) . . ?
C60 C55 S4 108.9(17) . . ?
C60 C55 H55 100.8 . . ?
C55 C56 H56A 109.9 . . ?
C55 C56 H56B 109.9 . . ?
C55 C56 C57 109(3) . . ?
H56A C56 H56B 108.3 . . ?
C57 C56 H56A 109.9 . . ?
C57 C56 H56B 109.9 . . ?
C56 C57 H57A 109.2 . . ?
C56 C57 H57B 109.2 . . ?
H57A C57 H57B 107.9 . . ?
C58 C57 C56 112(2) . . ?
C58 C57 H57A 109.2 . . ?
C58 C57 H57B 109.2 . . ?
C57 C58 H58A 106.3 . . ?
C57 C58 H58B 106.3 . . ?
H58A C58 H58B 106.4 . . ?
C59 C58 C57 124(3) . . ?
C59 C58 H58A 106.3 . . ?
C59 C58 H58B 106.3 . . ?
C58 C59 H59A 108.1 . . ?
C58 C59 H59B 108.1 . . ?
C58 C59 C60 117(3) . . ?
H59A C59 H59B 107.3 . . ?
C60 C59 H59A 108.1 . . ?
C60 C59 H59B 108.1 . . ?
C55 C60 H60A 109.3 . . ?
C55 C60 H60B 109.3 . . ?
C59 C60 C55 111(2) . . ?
C59 C60 H60A 109.3 . . ?
C59 C60 H60B 109.3 . . ?
H60A C60 H60B 108.0 . . ?
H61A C61 H61B 108.2 . . ?
C62 C61 H61A 109.7 . . ?
C62 C61 H61B 109.7 . . ?
C66 C61 H61A 109.7 . . ?
C66 C61 H61B 109.7 . . ?
C66 C61 C62 109.6(14) . . ?
S17 C62 H62 108.0 . . ?
C61 C62 S17 110.6(11) . . ?
C61 C62 H62 108.0 . . ?
C63 C62 S17 111.2(11) . . ?
C63 C62 C61 110.8(13) . . ?
C63 C62 H62 108.0 . . ?
C62 C63 H63A 109.5 . . ?
C62 C63 H63B 109.5 . . ?
C62 C63 C64 110.6(14) . . ?
H63A C63 H63B 108.1 . . ?
C64 C63 H63A 109.5 . . ?
C64 C63 H63B 109.5 . . ?
C63 C64 H64A 109.7 . . ?
C63 C64 H64B 109.7 . . ?
C63 C64 C65 109.9(14) . . ?
H64A C64 H64B 108.2 . . ?
C65 C64 H64A 109.7 . . ?
C65 C64 H64B 109.7 . . ?
C64 C65 H65A 109.8 . . ?
C64 C65 H65B 109.8 . . ?
H65A C65 H65B 108.3 . . ?
C66 C65 C64 109.2(14) . . ?
C66 C65 H65A 109.8 . . ?
C66 C65 H65B 109.8 . . ?
C61 C66 H66A 109.2 . . ?
C61 C66 H66B 109.2 . . ?
C65 C66 C61 112.1(15) . . ?
C65 C66 H66A 109.2 . . ?
C65 C66 H66B 109.2 . . ?
H66A C66 H66B 107.9 . . ?
S14 C67 H67 109.2 . . ?
C68 C67 S14 110.2(13) . . ?
C68 C67 H67 109.2 . . ?
C68 C67 C72 110.3(15) . . ?
C72 C67 S14 108.8(12) . . ?
C72 C67 H67 109.2 . . ?
C67 C68 H68A 109.2 . . ?
C67 C68 H68B 109.2 . . ?
C67 C68 C69 112.1(17) . . ?
H68A C68 H68B 107.9 . . ?
C69 C68 H68A 109.2 . . ?
C69 C68 H68B 109.2 . . ?
C68 C69 H69A 109.4 . . ?
C68 C69 H69B 109.4 . . ?
H69A C69 H69B 108.0 . . ?
C70 C69 C68 111.2(19) . . ?
C70 C69 H69A 109.4 . . ?
C70 C69 H69B 109.4 . . ?
C69 C70 H70A 109.3 . . ?
C69 C70 H70B 109.3 . . ?
C69 C70 C71 111.6(18) . . ?
H70A C70 H70B 108.0 . . ?
C71 C70 H70A 109.3 . . ?
C71 C70 H70B 109.3 . . ?
C70 C71 H71A 109.6 . . ?
C70 C71 H71B 109.6 . . ?
C70 C71 C72 110.2(17) . . ?
H71A C71 H71B 108.1 . . ?
C72 C71 H71A 109.6 . . ?
C72 C71 H71B 109.6 . . ?
C67 C72 C71 109.5(16) . . ?
C67 C72 H72A 109.8 . . ?
C67 C72 H72B 109.8 . . ?
C71 C72 H72A 109.8 . . ?
C71 C72 H72B 109.8 . . ?
H72A C72 H72B 108.2 . . ?
S16 C73 H73 108.2 . . ?
C74 C73 S16 110.8(12) . . ?
C74 C73 H73 108.2 . . ?
C74 C73 C78 112.2(15) . . ?
C78 C73 S16 109.2(12) . . ?
C78 C73 H73 108.2 . . ?
C73 C74 H74A 109.6 . . ?
C73 C74 H74B 109.6 . . ?
C73 C74 C75 110.2(18) . . ?
H74A C74 H74B 108.1 . . ?
C75 C74 H74A 109.6 . . ?
C75 C74 H74B 109.6 . . ?
C74 C75 H75A 109.5 . . ?
C74 C75 H75B 109.5 . . ?
H75A C75 H75B 108.1 . . ?
C76 C75 C74 111(2) . . ?
C76 C75 H75A 109.5 . . ?
C76 C75 H75B 109.5 . . ?
C75 C76 H76A 108.9 . . ?
C75 C76 H76B 108.9 . . ?
H76A C76 H76B 107.7 . . ?
C77 C76 C75 113.6(18) . . ?
C77 C76 H76A 108.9 . . ?
C77 C76 H76B 108.9 . . ?
C76 C77 H77A 109.5 . . ?
C76 C77 H77B 109.5 . . ?
C76 C77 C78 110.9(19) . . ?
H77A C77 H77B 108.0 . . ?
C78 C77 H77A 109.5 . . ?
C78 C77 H77B 109.5 . . ?
C73 C78 C77 109.9(17) . . ?
C73 C78 H78A 109.7 . . ?
C73 C78 H78B 109.7 . . ?
C77 C78 H78A 109.7 . . ?
C77 C78 H78B 109.7 . . ?
H78A C78 H78B 108.2 . . ?
S21 C79 H79 107.3 . . ?
C80 C79 S21 109(2) . . ?
C80 C79 H79 107.3 . . ?
C80 C79 C84 117(3) . . ?
C84 C79 S21 109.4(18) . . ?
C84 C79 H79 107.3 . . ?
C79 C80 H80A 110.0 . . ?
C79 C80 H80B 110.0 . . ?
C79 C80 C81 108(3) . . ?
H80A C80 H80B 108.4 . . ?
C81 C80 H80A 110.0 . . ?
C81 C80 H80B 110.0 . . ?
C80 C81 H81A 110.1 . . ?
C80 C81 H81B 110.1 . . ?
H81A C81 H81B 108.5 . . ?
C82 C81 C80 108(2) . . ?
C82 C81 H81A 110.1 . . ?
C82 C81 H81B 110.1 . . ?
C81 C82 H82A 109.0 . . ?
C81 C82 H82B 109.0 . . ?
H82A C82 H82B 107.8 . . ?
C83 C82 C81 113(3) . . ?
C83 C82 H82A 109.0 . . ?
C83 C82 H82B 109.0 . . ?
C82 C83 H83A 109.8 . . ?
C82 C83 H83B 109.8 . . ?
C82 C83 C84 109(3) . . ?
H83A C83 H83B 108.2 . . ?
C84 C83 H83A 109.8 . . ?
C84 C83 H83B 109.8 . . ?
C79 C84 C83 107(2) . . ?
C79 C84 H84A 110.3 . . ?
C79 C84 H84B 110.3 . . ?
C83 C84 H84A 110.3 . . ?
C83 C84 H84B 110.3 . . ?
H84A C84 H84B 108.6 . . ?
S25 C85 H85 109.7 . . ?
C86 C85 S25 107.0(14) . . ?
C86 C85 H85 109.7 . . ?
C90 C85 S25 109.7(12) . . ?
C90 C85 H85 109.7 . . ?
C90 C85 C86 111.1(16) . . ?
C85 C86 H86A 110.0 . . ?
C85 C86 H86B 110.0 . . ?
C85 C86 C87 108.3(16) . . ?
H86A C86 H86B 108.4 . . ?
C87 C86 H86A 110.0 . . ?
C87 C86 H86B 110.0 . . ?
C86 C87 H87A 109.4 . . ?
C86 C87 H87B 109.4 . . ?
H87A C87 H87B 108.0 . . ?
C88 C87 C86 111.1(18) . . ?
C88 C87 H87A 109.4 . . ?
C88 C87 H87B 109.4 . . ?
C87 C88 H88A 109.2 . . ?
C87 C88 H88B 109.2 . . ?
C87 C88 C89 111.9(19) . . ?
H88A C88 H88B 107.9 . . ?
C89 C88 H88A 109.2 . . ?
C89 C88 H88B 109.2 . . ?
C88 C89 H89A 109.6 . . ?
C88 C89 H89B 109.6 . . ?
C88 C89 C90 110.3(19) . . ?
H89A C89 H89B 108.1 . . ?
C90 C89 H89A 109.6 . . ?
C90 C89 H89B 109.6 . . ?
C85 C90 C89 109.6(17) . . ?
C85 C90 H90A 109.7 . . ?
C85 C90 H90B 109.7 . . ?
C89 C90 H90A 109.7 . . ?
C89 C90 H90B 109.7 . . ?
H90A C90 H90B 108.2 . . ?
S13 C91 H91 107.4 . . ?
C92 C91 S13 111.3(11) . . ?
C92 C91 H91 107.4 . . ?
C96 C91 S13 111.9(11) . . ?
C96 C91 H91 107.4 . . ?
C96 C91 C92 111.2(14) . . ?
C91 C92 H92A 109.4 . . ?
C91 C92 H92B 109.4 . . ?
H92A C92 H92B 108.0 . . ?
C93 C92 C91 111.2(14) . . ?
C93 C92 H92A 109.4 . . ?
C93 C92 H92B 109.4 . . ?
C92 C93 H93A 109.2 . . ?
C92 C93 H93B 109.2 . . ?
H93A C93 H93B 107.9 . . ?
C94 C93 C92 112.1(15) . . ?
C94 C93 H93A 109.2 . . ?
C94 C93 H93B 109.2 . . ?
C93 C94 H94A 109.3 . . ?
C93 C94 H94B 109.3 . . ?
C93 C94 C95 111.4(16) . . ?
H94A C94 H94B 108.0 . . ?
C95 C94 H94A 109.3 . . ?
C95 C94 H94B 109.3 . . ?
C94 C95 H95A 109.6 . . ?
C94 C95 H95B 109.6 . . ?
H95A C95 H95B 108.1 . . ?
C96 C95 C94 110.4(15) . . ?
C96 C95 H95A 109.6 . . ?
C96 C95 H95B 109.6 . . ?
C91 C96 C95 111.4(15) . . ?
C91 C96 H96A 109.3 . . ?
C91 C96 H96B 109.3 . . ?
C95 C96 H96A 109.3 . . ?
C95 C96 H96B 109.3 . . ?
H96A C96 H96B 108.0 . . ?
S24 C97 H97 103.6 . . ?
C98 C97 S24 114.8(15) . . ?
C98 C97 H97 103.6 . . ?
C98 C97 C102 117(2) . . ?
C102 C97 S24 111.9(14) . . ?
C102 C97 H97 103.6 . . ?
C97 C98 H98A 108.2 . . ?
C97 C98 H98B 108.2 . . ?
C97 C98 C99 116(2) . . ?
H98A C98 H98B 107.4 . . ?
C99 C98 H98A 108.2 . . ?
C99 C98 H98B 108.2 . . ?
C98 C99 H99A 110.2 . . ?
C98 C99 H99B 110.2 . . ?
H99A C99 H99B 108.5 . . ?
C100 C99 C98 107(2) . . ?
C100 C99 H99A 110.2 . . ?
C100 C99 H99B 110.2 . . ?
C99 C100 H10C 109.4 . . ?
C99 C100 H10D 109.4 . . ?
C99 C100 C101 111(2) . . ?
H10C C100 H10D 108.0 . . ?
C101 C100 H10C 109.4 . . ?
C101 C100 H10D 109.4 . . ?
C100 C101 H10E 110.7 . . ?
C100 C101 H10F 110.7 . . ?
H10E C101 H10F 108.8 . . ?
C102 C101 C100 105(2) . . ?
C102 C101 H10E 110.7 . . ?
C102 C101 H10F 110.7 . . ?
C97 C102 C101 113.6(18) . . ?
C97 C102 H10G 108.8 . . ?
C97 C102 H10H 108.8 . . ?
C101 C102 H10G 108.8 . . ?
C101 C102 H10H 108.8 . . ?
H10G C102 H10H 107.7 . . ?
S23 C103 H103 106.2 . . ?
C104 C103 S23 112.5(16) . . ?
C104 C103 H103 106.2 . . ?
C104 C103 C108 114(2) . . ?
C108 C103 S23 111.3(17) . . ?
C108 C103 H103 106.2 . . ?
C103 C104 H10I 109.7 . . ?
C103 C104 H10J 109.7 . . ?
C103 C104 C105 110(2) . . ?
H10I C104 H10J 108.2 . . ?
C105 C104 H10I 109.7 . . ?
C105 C104 H10J 109.7 . . ?
C104 C105 H10K 108.9 . . ?
C104 C105 H10L 108.9 . . ?
H10K C105 H10L 107.7 . . ?
C106 C105 C104 113(3) . . ?
C106 C105 H10K 108.9 . . ?
C106 C105 H10L 108.9 . . ?
C105 C106 H10M 109.8 . . ?
C105 C106 H10N 109.8 . . ?
C105 C106 C107 109(3) . . ?
H10M C106 H10N 108.3 . . ?
C107 C106 H10M 109.8 . . ?
C107 C106 H10N 109.8 . . ?
C106 C107 H10O 110.7 . . ?
C106 C107 H10P 110.7 . . ?
H10O C107 H10P 108.8 . . ?
C108 C107 C106 105(3) . . ?
C108 C107 H10O 110.7 . . ?
C108 C107 H10P 110.7 . . ?
C103 C108 C107 114(2) . . ?
C103 C108 H10Q 108.9 . . ?
C103 C108 H10R 108.9 . . ?
C107 C108 H10Q 108.9 . . ?
C107 C108 H10R 108.9 . . ?
H10Q C108 H10R 107.7 . . ?
N1 C109 H10S 109.5 . . ?
N1 C109 H10T 109.5 . . ?
N1 C109 H10U 109.5 . . ?
H10S C109 H10T 109.5 . . ?
H10S C109 H10U 109.5 . . ?
H10T C109 H10U 109.5 . . ?
N1 C110 H11C 109.5 . . ?
N1 C110 H11D 109.5 . . ?
N1 C110 H11E 109.5 . . ?
H11C C110 H11D 109.5 . . ?
H11C C110 H11E 109.5 . . ?
H11D C110 H11E 109.5 . . ?
O31 C111 N1 127(3) . . ?
O31 C111 H111 116.5 . . ?
N1 C111 H111 116.5 . . ?
O34 C112 N3 125(2) . . ?
O34 C112 H112 117.3 . . ?
N3 C112 H112 117.3 . . ?
N3 C113 H11F 109.5 . . ?
N3 C113 H11G 109.5 . . ?
N3 C113 H11H 109.5 . . ?
H11F C113 H11G 109.5 . . ?
H11F C113 H11H 109.5 . . ?
H11G C113 H11H 109.5 . . ?
N3 C114 H11I 109.5 . . ?
N3 C114 H11J 109.5 . . ?
N3 C114 H11K 109.5 . . ?
H11I C114 H11J 109.5 . . ?
H11I C114 H11K 109.5 . . ?
H11J C114 H11K 109.5 . . ?
O33 C118 N4 127(4) . . ?
O33 C118 H118 116.3 . . ?
N4 C118 H118 116.3 . . ?
N4 C119 H11L 109.5 . . ?
N4 C119 H11M 109.5 . . ?
N4 C119 H11N 109.5 . . ?
H11L C119 H11M 109.5 . . ?
H11L C119 H11N 109.5 . . ?
H11M C119 H11N 109.5 . . ?
N4 C120 H12C 109.5 . . ?
N4 C120 H12D 109.5 . . ?
N4 C120 H12E 109.5 . . ?
H12C C120 H12D 109.5 . . ?
H12C C120 H12E 109.5 . . ?
H12D C120 H12E 109.5 . . ?
F16 C127 S6 110(2) . . ?
F16 C127 F17 112(3) . . ?
F16 C127 F18 107(3) . . ?
F17 C127 S6 107(2) . . ?
F18 C127 S6 112(2) . . ?
F18 C127 F17 108(3) . . ?
F13 C128 S3 108.2(19) . . ?
F13 C128 F15 109.2(10) . . ?
F14 C128 S3 114.8(19) . . ?
F14 C128 F13 109.7(10) . . ?
F14 C128 F15 108.9(10) . . ?
F15 C128 S3 106(2) . . ?
S1A C129 S1 26.4(6) . . ?
F1 C129 S1 84(2) . . ?
F1 C129 S1A 110(3) . . ?
F1 C129 F1A 46(2) . . ?
F1 C129 F2A 155(2) . . ?
F1A C129 S1 108.7(18) . . ?
F1A C129 S1A 124.2(17) . . ?
F1A C129 F2A 108.5(10) . . ?
F2 C129 S1 127(2) . . ?
F2 C129 S1A 118(2) . . ?
F2 C129 F1 96(3) . . ?
F2 C129 F1A 50(2) . . ?
F2 C129 F2A 59(2) . . ?
F2 C129 F3 121(3) . . ?
F2A C129 S1 110.9(18) . . ?
F2A C129 S1A 85.0(17) . . ?
F3 C129 S1 111.6(14) . . ?
F3 C129 S1A 117.5(15) . . ?
F3 C129 F1 84(2) . . ?
F3 C129 F1A 109.3(10) . . ?
F3 C129 F2A 107.8(10) . . ?
F10 C130 S18 110.5(12) . . ?
F11 C130 S18 110.8(12) . . ?
F11 C130 F10 107.3(13) . . ?
F12 C130 S18 111.0(10) . . ?
F12 C130 F10 107.8(14) . . ?
F12 C130 F11 109.4(14) . . ?
F7 C131 S5 114(2) . . ?
F7 C131 F8 106(3) . . ?
F8 C131 S5 108(2) . . ?
F9 C131 S5 113(2) . . ?
F9 C131 F7 110(3) . . ?
F9 C131 F8 106(2) . . ?
F4 C132 S26 109(2) . . ?
F4 C132 F5 108(3) . . ?
F4 C132 F6 111(3) . . ?
F5 C132 S26 107(2) . . ?
F6 C132 S26 112.5(17) . . ?
F6 C132 F5 108(2) . . ?
F19 C133 S9 112.4(17) . . ?
F19 C133 F20 108(3) . . ?
F19 C133 F21 110.8(19) . . ?
F20 C133 S9 109.9(15) . . ?
F20 C133 F21 108(2) . . ?
F21 C133 S9 108(2) . . ?
F22 C134 S15 109.5(14) . . ?
F23 C134 S15 111.7(13) . . ?
F23 C134 F22 110.1(19) . . ?
F23 C134 F24 107.9(17) . . ?
F24 C134 S15 109.9(15) . . ?
F24 C134 F22 107.8(15) . . ?
C123 O29 H29 109.5 . . ?
H12F C121 H12G 109.5 . . ?
H12F C121 H12H 109.5 . . ?
H12G C121 H12H 109.5 . . ?
C122 C121 H12F 109.5 . . ?
C122 C121 H12G 109.5 . . ?
C122 C121 H12H 109.5 . . ?
C121 C122 H12I 108.2 . . ?
C121 C122 H12J 108.2 . . ?
H12I C122 H12J 107.4 . . ?
C123 C122 C121 116(3) . . ?
C123 C122 H12I 108.2 . . ?
C123 C122 H12J 108.2 . . ?
O29 C123 H12K 108.7 . . ?
O29 C123 H12L 108.7 . . ?
C122 C123 O29 114(3) . . ?
C122 C123 H12K 108.7 . . ?
C122 C123 H12L 108.7 . . ?
H12K C123 H12L 107.6 . . ?
C126 O30 H30 109.5 . . ?
H12M C124 H12N 109.5 . . ?
H12M C124 H12O 109.5 . . ?
H12N C124 H12O 109.5 . . ?
C125 C124 H12M 109.5 . . ?
C125 C124 H12N 109.5 . . ?
C125 C124 H12O 109.5 . . ?
C124 C125 H12P 109.6 . . ?
C124 C125 H12Q 109.6 . . ?
H12P C125 H12Q 108.1 . . ?
C126 C125 C124 110.5(19) . . ?
C126 C125 H12P 109.6 . . ?
C126 C125 H12Q 109.6 . . ?
O30 C126 C125 113(2) . . ?
O30 C126 H12R 109.1 . . ?
O30 C126 H12S 109.1 . . ?
C125 C126 H12R 109.1 . . ?
C125 C126 H12S 109.1 . . ?
H12R C126 H12S 107.8 . . ?
C115 N2 C116 121(3) . . ?
C117 N2 C115 114(2) . . ?
C117 N2 C116 125(3) . . ?
N2 C115 H11O 109.5 . . ?
N2 C115 H11P 109.5 . . ?
N2 C115 H11Q 109.5 . . ?
H11O C115 H11P 109.5 . . ?
H11O C115 H11Q 109.5 . . ?
H11P C115 H11Q 109.5 . . ?
N2 C116 H11R 109.5 . . ?
N2 C116 H11S 109.5 . . ?
N2 C116 H11T 109.5 . . ?
H11R C116 H11S 109.5 . . ?
H11R C116 H11T 109.5 . . ?
H11S C116 H11T 109.5 . . ?
O32 C117 N2 105(3) . . ?
O32 C117 H117 127.6 . . ?
N2 C117 H117 127.6 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.312
_oxdiff_exptl_absorpt_empirical_full_min 0.801


_vrf_PLAT910_SD/Ag80a            
;
PROBLEM: Missing # of FCF Reflection(s) Below Theta(Min).         96 Note  
RESPONSE: Theta min = 3.193 deg. The theta value of 
the missing reflections are less than 3.193 deg. and
therefore reflections were excluded. 
;
####################################################################### 
# 
# 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_Ag80b
_database_code_depnum_ccdc_archive 'CCDC 1850395'
_audit_update_record             
;
2018-06-19 deposited with the CCDC.
2018-10-15 downloaded from the CCDC.
;
_audit_creation_date             2018-03-27
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'C139 H287 Ag80 F48 Mo16 N5 O113 S52, C3 H7 N O'
_chemical_formula_sum            'C142 H294 Ag80 F48 Mo16 N6 O114 S52'
_chemical_formula_weight         16653.57
_chemical_melting_point          ?
_chemical_oxdiff_formula         AgS
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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 0.6857 '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'
O O 0.0106 0.0060 '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                   21.9533(3)
_cell_length_b                   22.1690(3)
_cell_length_c                   22.9990(3)
_cell_angle_alpha                111.8795(11)
_cell_angle_beta                 109.2284(11)
_cell_angle_gamma                92.0299(10)
_cell_volume                     9646.4(2)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    51456
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      30.1730
_cell_measurement_theta_min      3.3520
_shelx_estimated_absorpt_T_max   0.795
_shelx_estimated_absorpt_T_min   0.644
_exptl_absorpt_coefficient_mu    4.816
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.54318
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.30d (Rigaku Oxford Diffraction, 2017)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light red'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    2.867
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             7796
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0391
_diffrn_reflns_av_unetI/netI     0.0442
_diffrn_reflns_Laue_measured_fraction_full 0.988
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            100166
_diffrn_reflns_point_group_measured_fraction_full 0.988
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_theta_full        25.123
_diffrn_reflns_theta_max         25.123
_diffrn_reflns_theta_min         2.261
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -67.00  27.00   0.50    7.00    --    8.83 -37.00 -60.00  188
  2  ω    -19.00  69.00   0.50    7.00    --   -7.73  37.00-155.00  176
  3  ω    -26.00  30.00   0.50    7.00    --   -7.73 -99.00  30.00  112
  4  ω    -26.00  46.00   0.50    7.00    --    8.83 -99.00  60.00  144
  5  ω    -83.00  11.00   0.50    7.00    --   -7.73 -37.00  48.00  188
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0097503000
_diffrn_orient_matrix_UB_12      -0.0310779000
_diffrn_orient_matrix_UB_13      -0.0048736000
_diffrn_orient_matrix_UB_21      -0.0130877000
_diffrn_orient_matrix_UB_22      -0.0096054000
_diffrn_orient_matrix_UB_23      -0.0353521000
_diffrn_orient_matrix_UB_31      0.0306754000
_diffrn_orient_matrix_UB_32      0.0129339000
_diffrn_orient_matrix_UB_33      0.0014056000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                27886
_reflns_number_total             34057
_reflns_odcompleteness_completeness 99.05
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_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       'CrysAlisPro 1.171.39.30d (Rigaku OD, 2017)'
_computing_data_collection       'CrysAlisPro 1.171.39.30d (Rigaku OD, 2017)'
_computing_data_reduction        'CrysAlisPro 1.171.39.30d (Rigaku OD, 2017)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    ?
_refine_diff_density_max         3.071
_refine_diff_density_min         -2.423
_refine_diff_density_rms         0.211
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2248
_refine_ls_number_reflns         34057
_refine_ls_number_restraints     486
_refine_ls_R_factor_all          0.0576
_refine_ls_R_factor_gt           0.0439
_refine_ls_restrained_S_all      1.058
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0607P)²+73.3388P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1137
_refine_ls_wR_factor_ref         0.1216
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 F16-C63
 1.45 with sigma of 0.01
 C63-F18
 1.45 with sigma of 0.01
 C63-F17
 1.45 with sigma of 0.01
 F17-F16
 2.35 with sigma of 0.01
 F16-F18
 2.35 with sigma of 0.01
 F18-F17
 2.35 with sigma of 0.01
 C4A-C5A
 2.35 with sigma of 0.01
 C6A-N3A = N3A-C4A
 1.45 with sigma of 0.01
 N3A-C5A
 1.45 with sigma of 0.01
 C6A-N3A
 1.45 with sigma of 0.01
 C12-C11
 1.55 with sigma of 0.01
 C11-C10
 1.55 with sigma of 0.01
 C12-C10
 2.35 with sigma of 0.01
 S23-C65
 1.85 with sigma of 0.01
 N3-C4
 1.45 with sigma of 0.01
 N3-C6
 1.45 with sigma of 0.01
 C44-C45
 1.55 with sigma of 0.01
 C44-C43
 1.55 with sigma of 0.01
 C43-C45
 2.35 with sigma of 0.01
 C50-C51
 1.55 with sigma of 0.01
 C51-C50
 1.55 with sigma of 0.01
 C50-C49
 1.55 with sigma of 0.01
 C51-C49
 2.35 with sigma of 0.01
 S8-C50
 1.85 with sigma of 0.01
 S8-C51
 2.75 with sigma of 0.01
 C49-S8
 2.75 with sigma of 0.01
 C65-F22
 1.45 with sigma of 0.01
 F23-C65
 1.45 with sigma of 0.01
 C65-F24
 1.45 with sigma of 0.01
 S23-F23
 2.75 with sigma of 0.01
 S23-F24
 2.75 with sigma of 0.01
 S23-F22
 2.75 with sigma of 0.01
 F23-F24
 2.35 with sigma of 0.01
 F23-F22
 2.35 with sigma of 0.01
 F22-F24
 2.35 with sigma of 0.01
 C69-N1
 1.45 with sigma of 0.01
 C26-C25
 1.55 with sigma of 0.01
 C27-C26
 1.55 with sigma of 0.01
 C25-C27
 2.35 with sigma of 0.01
 O47-S24
 1.45 with sigma of 0.01
3. Restrained planarity
 C4A, C5A, C6A, N3A, O57A
 with sigma of 0.01
4. Uiso/Uaniso restraints and constraints
C63 \\sim F16 \\sim F17 \\sim F18 \\sim O49 \\sim O50 \\sim O51 \\sim S26:
within 1.7A with sigma of 0.004 and sigma for terminal atoms of 0.008
C4 \\sim C5 \\sim C6 \\sim N3 \\sim O57: within 1.7A with sigma of 0.004 and
sigma for terminal atoms of 0.008
C4A \\sim C5A \\sim C6A \\sim N3A \\sim O57A: within 1.7A with sigma of 0.004
and sigma for terminal atoms of 0.008
C64 \\sim F13 \\sim F14 \\sim F15 \\sim O46 \\sim O47 \\sim O48 \\sim S24:
within 1.7A with sigma of 0.004 and sigma for terminal atoms of 0.008
C1A \\sim C2A \\sim C3A \\sim N2A \\sim O56A: within 1.7A with sigma of 0.004
and sigma for terminal atoms of 0.008
Ag2 \\sim Ag2A: within 1.7A with sigma of 0.004 and sigma for terminal atoms of
0.08
Ag6 \\sim Ag6A: within 1.7A with sigma of 0.004 and sigma for terminal atoms of
0.08
Ag5 \\sim Ag5A: within 1.7A with sigma of 0.004 and sigma for terminal atoms of
0.008
Ag7 \\sim Ag7A: within 1.7A with sigma of 0.004 and sigma for terminal atoms of
0.008
Ag4 \\sim Ag4A: within 1.7A with sigma of 0.004 and sigma for terminal atoms of
0.08
C65 \\sim F22 \\sim F23 \\sim F24 \\sim O52 \\sim O53 \\sim S23: within 1.7A
with sigma of 0.002 and sigma for terminal atoms of 0.004
S23: within 1.7A with sigma of 0.004 and sigma for terminal atoms of 0.008
C55 \\sim C56 \\sim C57 \\sim S5: within 1.7A with sigma of 0.004 and sigma for
terminal atoms of 0.08
C43 \\sim C44 \\sim C45 \\sim S6: within 1.7A with sigma of 0.004 and sigma for
terminal atoms of 0.008
C10 \\sim C11 \\sim C12 \\sim S10: within 1.7A with sigma of 0.002 and sigma
for terminal atoms of 0.004
C68 \\sim C69 \\sim C70 \\sim N1 \\sim O55: within 1.7A with sigma of 0.004 and
sigma for terminal atoms of 0.08
C49 \\sim C50 \\sim C51 \\sim S8: within 1.7A with sigma of 0.002 and sigma for
terminal atoms of 0.004
C1 \\sim C2 \\sim C3 \\sim N2 \\sim O56: within 1.7A with sigma of 0.001 and
sigma for terminal atoms of 0.004
C25 \\sim C26 \\sim C27 \\sim S13: within 1.7A with sigma of 0.004 and sigma
for terminal atoms of 0.008
C0AA \\sim F10 \\sim F11 \\sim F11A \\sim F12 \\sim F12A \\sim O31 \\sim O31A
\\sim O32 \\sim O33 \\sim S1 \\sim S1A: within 1.7A with sigma of 0.004 and
sigma for terminal atoms of 0.008
S1A \\sim S1 \\sim O32A \\sim O32 \\sim O31 \\sim O31A \\sim F10 \\sim F10A
\\sim F12A \\sim C0AA \\sim F11A \\sim F11 \\sim F12 \\sim O33 \\sim O33A:
within 1.7A with sigma of 0.002 and sigma for terminal atoms of 0.004
5. Others
 Sof(Ag2A)=1-FVAR(1)
 Sof(Ag2)=FVAR(1)
 Sof(Ag3A)=1-FVAR(2)
 Sof(Ag3)=FVAR(2)
 Sof(Ag5A)=Sof(Ag6A)=1-FVAR(3)
 Sof(Ag5)=Sof(Ag6)=FVAR(3)
 Sof(Ag1A)=1-FVAR(4)
 Sof(Ag1)=FVAR(4)
 Sof(Ag7A)=1-FVAR(5)
 Sof(Ag7)=FVAR(5)
 Sof(Ag4A)=1-FVAR(6)
 Sof(Ag4)=FVAR(6)
 Sof(S1A)=1-FVAR(7)
 Sof(S1)=FVAR(7)
 Fixed Sof: C1(0.5) H1A(0.5) H1B(0.5) H1C(0.5) C1A(0.5) H1AA(0.5) H1AB(0.5)
 H1AC(0.5) C2(0.5) H2A(0.5) H2B(0.5) H2C(0.5) C2A(0.5) H2AA(0.5) H2AB(0.5)
 H2AC(0.5) C3(0.5) H3(0.5) C3A(0.5) H3A(0.5) C4(0.5) H4A(0.5) H4B(0.5) H4C(0.5)
 C4A(0.5) H4AA(0.5) H4AB(0.5) H4AC(0.5) C5(0.5) H5A(0.5) H5B(0.5) H5C(0.5)
 C5A(0.5) H5AA(0.5) H5AB(0.5) H5AC(0.5) C6(0.5) H6(0.5) C6A(0.5) H6A(0.5)
 F10(0.5) F11(0.5) F11A(0.5) F12(0.6) F12A(0.4) N2(0.5) N2A(0.5) N3(0.5)
 N3A(0.5) O31(0.6) O31A(0.4) O32(0.5) O33(0.5) O56(0.5) O56A(0.5) O57(0.5)
 O57A(0.5) O32A(0.5) O33A(0.5) F10A(0.5)
6.a Riding coordinates:
 C1(H1A,H1B,H1C), C1A(H1AA,H1AB,H1AC), C2(H2A,H2B,H2C), C2A(H2AA,H2AB,H2AC),
 C4(H4A,H4B,H4C), C4A(H4AA,H4AB,H4AC), C5(H5A,H5B,H5C), C5A(H5AA,H5AB,H5AC),
 C7(H7A,H7B,H7C), C9(H9A,H9B,H9C), C10(H10A,H10B,H10C), C12(H12A,H12B,H12C),
 C13(H13A,H13B,H13C), C15(H15A,H15B,H15C), C16(H16A,H16B,H16C), C18(H18A,H18B,
 H18C), C19(H19A,H19B,H19C), C21(H21A,H21B,H21C), C22(H22A,H22B,H22C), C24(H24A,
 H24B,H24C), C25(H25A,H25B,H25C), C27(H27A,H27B,H27C), C28(H28A,H28B,H28C),
 C30(H30A,H30B,H30C), C31(H31A,H31B,H31C), C33(H33A,H33B,H33C), C34(H34A,H34B,
 H34C), C36(H36A,H36B,H36C), C37(H37A,H37B,H37C), C39(H39A,H39B,H39C), C40(H40A,
 H40B,H40C), C42(H42A,H42B,H42C), C45(H45A,H45B,H45C), C46(H46A,H46B,H46C),
 C48(H48A,H48B,H48C), C52(H52A,H52B,H52C), C54(H54A,H54B,H54C), C55(H55A,H55B,
 H55C), C57(H57A,H57B,H57C), C58(H58A,H58B,H58C), C60(H60A,H60B,H60C), C68(H68A,
 H68B,H68C), C69(H69A,H69B,H69C)
6.b Ternary CH refined with riding coordinates:
 C8(H8), C11(H11), C14(H14), C17(H17), C20(H20), C23(H23), C26(H26), C29(H29),
 C32(H32), C35(H35), C38(H38), C41(H41), C44(H44), C47(H47), C50(H50), C53(H53),
  C56(H56), C59(H59)
6.c Aromatic/amide H refined with riding coordinates:
 C3(H3), C3A(H3A), C6(H6), C6A(H6A), C70(H70)
6.d Idealised Me refined as rotating group:
 C43(H43A,H43B,H43C), C49(H49A,H49B,H49C), C51(H51A,H51B,H51C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag -0.4438(5) 0.4564(3) -0.29398(13) 0.0439(12) Uani 0.70(4) 1 d . . P A 1
Ag1A Ag -0.4244(10) 0.4385(14) -0.2956(3) 0.051(3) Uani 0.30(4) 1 d . . P A 2
Ag2 Ag 0.22119(4) 0.36374(4) 0.00384(5) 0.0366(3) Uani 0.894(3) 1 d . U P B 1
Ag2A Ag 0.2004(4) 0.3737(3) -0.0354(5) 0.0379(19) Uani 0.106(3) 1 d . U P B 2
Ag3 Ag 0.34478(15) 0.3390(2) 0.0896(2) 0.0449(6) Uani 0.73(4) 1 d . . P B 1
Ag3A Ag 0.326(3) 0.3462(9) 0.0853(9) 0.069(6) Uani 0.27(4) 1 d . . P B 2
Ag4 Ag 0.45752(13) 0.70362(11) 0.30760(7) 0.0384(5) Uani 0.885(9) 1 d . U P C 1
Ag4A Ag 0.4821(10) 0.7216(7) 0.3132(5) 0.042(2) Uani 0.115(9) 1 d . U P C 2
Ag5 Ag 0.20320(8) 0.88304(10) 0.40554(7) 0.0751(5) Uani 0.860(3) 1 d . U P D 1
Ag5A Ag 0.2150(5) 0.8445(6) 0.3973(4) 0.0737(19) Uani 0.140(3) 1 d . U P D 2
Ag6 Ag 0.10272(7) 0.70043(5) 0.41960(5) 0.0437(3) Uani 0.860(3) 1 d . U P D 1
Ag6A Ag 0.0737(4) 0.7053(3) 0.4360(3) 0.0411(16) Uani 0.140(3) 1 d . U P D 2
Ag7 Ag 0.10166(8) 0.8127(2) -0.05332(8) 0.0391(5) Uani 0.853(13) 1 d . U P E 1
Ag7A Ag 0.0952(5) 0.7886(10) -0.0531(5) 0.0377(19) Uani 0.147(13) 1 d . U P E 2
Ag8 Ag 0.06090(4) 0.79079(4) 0.35109(4) 0.04005(17) Uani 1 1 d . . . . .
Ag9 Ag -0.01232(3) 0.65629(3) 0.29237(3) 0.03263(15) Uani 1 1 d . . . . .
Ag10 Ag -0.04245(3) 0.59523(3) 0.01984(3) 0.02084(12) Uani 1 1 d . . . . .
Ag11 Ag -0.02645(3) 0.58095(3) 0.13618(3) 0.02203(12) Uani 1 1 d . . . . .
Ag12 Ag -0.04142(3) 0.45372(3) 0.05399(3) 0.02242(12) Uani 1 1 d . . . . .
Ag13 Ag 0.06966(3) 0.54259(3) 0.07303(3) 0.01995(12) Uani 1 1 d . . . . .
Ag14 Ag 0.14144(3) 0.48575(3) -0.01363(3) 0.02361(13) Uani 1 1 d . . . . .
Ag15 Ag 0.40133(3) 0.50041(4) 0.14084(3) 0.03433(15) Uani 1 1 d . . . . .
Ag16 Ag 0.30236(3) 0.52176(3) 0.02049(3) 0.02645(13) Uani 1 1 d . . . . .
Ag17 Ag 0.41701(3) 0.62882(4) 0.13341(3) 0.03354(15) Uani 1 1 d . . . . .
Ag18 Ag 0.36800(3) 0.74664(4) 0.08766(4) 0.03856(16) Uani 1 1 d . . . . .
Ag19 Ag 0.38239(4) 0.78466(4) 0.24271(4) 0.04633(19) Uani 1 1 d . . . . .
Ag20 Ag 0.31469(4) 0.83264(5) 0.34054(6) 0.0636(3) Uani 1 1 d . . . . .
Ag21 Ag 0.24110(3) 0.83697(3) 0.20268(4) 0.03730(16) Uani 1 1 d . . . . .
Ag22 Ag 0.12814(4) 0.88933(4) 0.24208(4) 0.04158(17) Uani 1 1 d . . . . .
Ag23 Ag -0.00886(4) 0.85033(4) 0.24882(4) 0.04297(17) Uani 1 1 d . . . . .
Ag24 Ag -0.05598(3) 0.71427(4) 0.13497(3) 0.03710(16) Uani 1 1 d . . . . .
Ag25 Ag -0.07412(3) 0.74458(3) -0.01747(3) 0.02854(14) Uani 1 1 d . . . . .
Ag26 Ag 0.03852(3) 0.85278(3) 0.07244(4) 0.03442(15) Uani 1 1 d . . . . .
Ag27 Ag -0.01344(4) 0.71517(4) -0.16424(4) 0.04522(19) Uani 1 1 d . . . . .
Ag28 Ag 0.09553(3) 0.64349(3) -0.12434(3) 0.03032(14) Uani 1 1 d . . . . .
Ag29 Ag 0.24685(3) 0.66102(3) -0.02720(3) 0.02962(14) Uani 1 1 d . . . . .
Ag30 Ag 0.24762(3) 0.80371(3) 0.05533(3) 0.03223(15) Uani 1 1 d . . . . .
Ag31 Ag 0.01609(3) 0.50294(4) -0.25207(4) 0.03748(16) Uani 1 1 d . . . . .
Ag32 Ag -0.09924(3) 0.58450(4) -0.30793(3) 0.03935(17) Uani 1 1 d . . . . .
Ag33 Ag -0.10730(3) 0.45577(4) -0.41017(4) 0.04015(17) Uani 1 1 d . . . . .
Ag34 Ag -0.25316(4) 0.24149(4) -0.46077(4) 0.0505(2) Uani 1 1 d . . . . .
Ag35 Ag -0.24721(4) 0.39457(4) -0.44028(4) 0.04067(17) Uani 1 1 d . . . . .
Ag36 Ag -0.34448(5) 0.40273(5) -0.37893(5) 0.0599(2) Uani 1 1 d . . . . .
Ag37 Ag -0.24753(4) 0.53368(5) -0.31133(4) 0.04374(19) Uani 1 1 d . . . . .
Ag38 Ag -0.32324(4) 0.60754(4) -0.22415(4) 0.04156(17) Uani 1 1 d . . . . .
Ag39 Ag -0.18939(4) 0.69350(4) -0.16901(4) 0.04732(19) Uani 1 1 d . . . . .
Ag40 Ag 0.40149(4) 0.76488(6) 0.44038(5) 0.0654(3) Uani 1 1 d . . . . .
C0AA C -0.1993(7) 0.9374(7) 0.3049(8) 0.0762(19) Uani 1 1 d . U . . .
C1 C 0.1816(11) 0.8964(12) -0.1944(13) 0.055(3) Uani 0.5 1 d . U P E 1
H1A H 0.1407 0.8673 -0.2106 0.082 Uiso 0.5 1 d R . P E 1
H1B H 0.2148 0.8709 -0.2019 0.082 Uiso 0.5 1 d R . P E 1
H1C H 0.1767 0.9248 -0.2180 0.082 Uiso 0.5 1 d R . P E 1
C1A C 0.1193(13) 0.8431(13) -0.2686(14) 0.067(5) Uani 0.5 1 d . U P F 2
H1AA H 0.1393 0.8244 -0.3011 0.101 Uiso 0.5 1 d R . P F 2
H1AB H 0.1393 0.8326 -0.2304 0.101 Uiso 0.5 1 d R . P F 2
H1AC H 0.1255 0.8902 -0.2542 0.101 Uiso 0.5 1 d R . P F 2
C2 C 0.2533(11) 0.9901(12) -0.0956(14) 0.058(3) Uani 0.5 1 d . U P E 1
H2A H 0.2383 1.0239 -0.1104 0.087 Uiso 0.5 1 d R . P E 1
H2B H 0.2876 0.9744 -0.1113 0.087 Uiso 0.5 1 d R . P E 1
H2C H 0.2699 1.0080 -0.0472 0.087 Uiso 0.5 1 d R . P E 1
C2A C 0.0126(14) 0.8169(14) -0.3630(14) 0.070(5) Uani 0.5 1 d . U P F 2
H2AA H -0.0061 0.7726 -0.3961 0.105 Uiso 0.5 1 d R . P F 2
H2AB H 0.0415 0.8372 -0.3766 0.105 Uiso 0.5 1 d R . P F 2
H2AC H -0.0219 0.8418 -0.3592 0.105 Uiso 0.5 1 d R . P F 2
C3 C 0.1714(10) 0.9290(11) -0.0830(13) 0.048(2) Uani 0.5 1 d . U P E 1
H3 H 0.1809 0.9615 -0.0387 0.058 Uiso 0.5 1 calc R . P E 1
C3A C 0.0200(14) 0.7921(13) -0.2657(14) 0.063(4) Uani 0.5 1 d . U P F 2
H3A H -0.0260 0.7765 -0.2867 0.075 Uiso 0.5 1 calc R . P F 2
C4 C 0.1552(15) 1.1235(16) 0.4781(15) 0.100(6) Uani 0.5 1 d D U P D 1
H4A H 0.1706 1.1397 0.4512 0.149 Uiso 0.5 1 d R . P D 1
H4B H 0.1393 1.1578 0.5064 0.149 Uiso 0.5 1 d R . P D 1
H4C H 0.1203 1.0863 0.4492 0.149 Uiso 0.5 1 d R . P D 1
C4A C 0.1036(16) 1.0921(12) 0.4966(12) 0.126(8) Uani 0.5 1 d D U P G 2
H4AA H 0.1487 1.0930 0.5213 0.189 Uiso 0.5 1 d R . P G 2
H4AB H 0.0809 1.1066 0.5272 0.189 Uiso 0.5 1 d R . P G 2
H4AC H 0.1014 1.1209 0.4737 0.189 Uiso 0.5 1 d R . P G 2
C5 C 0.2607(17) 1.1507(17) 0.5800(15) 0.098(6) Uani 0.5 1 d . U P D 1
H5A H 0.2687 1.1373 0.6166 0.147 Uiso 0.5 1 d R . P D 1
H5B H 0.2485 1.1935 0.5923 0.147 Uiso 0.5 1 d R . P D 1
H5C H 0.2999 1.1526 0.5702 0.147 Uiso 0.5 1 d R . P D 1
C5A C 0.0060(12) 1.0141(17) 0.4323(15) 0.127(8) Uani 0.5 1 d D U P G 2
H5AA H -0.0172 1.0204 0.3922 0.191 Uiso 0.5 1 d R . P G 2
H5AB H -0.0014 1.0461 0.4699 0.191 Uiso 0.5 1 d R . P G 2
H5AC H -0.0096 0.9704 0.4265 0.191 Uiso 0.5 1 d R . P G 2
C6 C 0.2011(17) 1.0327(11) 0.5001(14) 0.089(4) Uani 0.5 1 d D U P D 1
H6 H 0.2347 1.0200 0.5293 0.106 Uiso 0.5 1 calc R . P D 1
C6A C 0.0995(15) 0.9677(11) 0.4117(10) 0.099(5) Uani 0.5 1 d D U P G 2
H6A H 0.1440 0.9666 0.4161 0.118 Uiso 0.5 1 calc R . P G 2
C7 C -0.3750(8) 0.2413(10) -0.6095(6) 0.101(6) Uani 1 1 d . . . . .
H7A H -0.3319 0.2566 -0.6059 0.152 Uiso 1 1 d R . . . .
H7B H -0.4056 0.2309 -0.6543 0.152 Uiso 1 1 d R . . . .
H7C H -0.3748 0.2025 -0.6002 0.152 Uiso 1 1 d R . . . .
C8 C -0.3949(6) 0.2937(7) -0.5602(5) 0.064(3) Uani 1 1 d . . . . .
H8 H -0.4413 0.2786 -0.5675 0.077 Uiso 1 1 calc R . . . .
C9 C -0.3912(11) 0.3537(13) -0.5700(11) 0.136(8) Uani 1 1 d . . . . .
H9A H -0.3750 0.3906 -0.5269 0.204 Uiso 1 1 d R . . . .
H9B H -0.4337 0.3577 -0.5964 0.204 Uiso 1 1 d R . . . .
H9C H -0.3616 0.3530 -0.5929 0.204 Uiso 1 1 d R . . . .
C10 C -0.4884(6) 0.5374(11) -0.4007(10) 0.123(5) Uani 1 1 d D U . . .
H10A H -0.4997 0.5171 -0.3746 0.184 Uiso 1 1 d R . . . .
H10B H -0.5198 0.5181 -0.4462 0.184 Uiso 1 1 d R . . . .
H10C H -0.4887 0.5840 -0.3814 0.184 Uiso 1 1 d R . . . .
C11 C -0.4207(7) 0.5267(9) -0.4003(9) 0.114(5) Uani 1 1 d D U . . .
H11 H -0.4252 0.4883 -0.4428 0.137 Uiso 1 1 calc R . . . .
C12 C -0.3911(7) 0.5885(10) -0.4012(10) 0.131(5) Uani 1 1 d D U . . .
H12A H -0.3977 0.6258 -0.3670 0.197 Uiso 1 1 d R . . . .
H12B H -0.4119 0.5899 -0.4444 0.197 Uiso 1 1 d R . . . .
H12C H -0.3449 0.5898 -0.3917 0.197 Uiso 1 1 d R . . . .
C13 C -0.3036(10) 0.7828(8) -0.2121(9) 0.101(6) Uani 1 1 d . . . . .
H13A H -0.2569 0.7970 -0.1924 0.151 Uiso 1 1 d R . . . .
H13B H -0.3241 0.8167 -0.2231 0.151 Uiso 1 1 d R . . . .
H13C H -0.3149 0.7430 -0.2523 0.151 Uiso 1 1 d R . . . .
C14 C -0.3284(7) 0.7694(6) -0.1643(7) 0.063(3) Uani 1 1 d . . . . .
H14 H -0.3750 0.7461 -0.1893 0.075 Uiso 1 1 calc R . . . .
C15 C -0.3254(9) 0.8306(7) -0.1050(9) 0.090(5) Uani 1 1 d . . . . .
H15A H -0.3378 0.8185 -0.0739 0.134 Uiso 1 1 d R . . . .
H15B H -0.3553 0.8567 -0.1208 0.134 Uiso 1 1 d R . . . .
H15C H -0.2817 0.8559 -0.0827 0.134 Uiso 1 1 d R . . . .
C16 C -0.1930(8) 0.8393(7) 0.0474(7) 0.074(4) Uani 1 1 d . . . . .
H16A H -0.1593 0.8504 0.0330 0.111 Uiso 1 1 d R . . . .
H16B H -0.2058 0.8790 0.0718 0.111 Uiso 1 1 d R . . . .
H16C H -0.2302 0.8112 0.0087 0.111 Uiso 1 1 d R . . . .
C17 C -0.1677(5) 0.8046(5) 0.0912(5) 0.043(2) Uani 1 1 d . . . . .
H17 H -0.1289 0.8351 0.1306 0.052 Uiso 1 1 calc R . . . .
C18 C -0.2143(6) 0.7856(6) 0.1187(6) 0.061(3) Uani 1 1 d . . . . .
H18A H -0.2556 0.7633 0.0825 0.091 Uiso 1 1 d R . . . .
H18B H -0.2206 0.8246 0.1512 0.091 Uiso 1 1 d R . . . .
H18C H -0.1969 0.7567 0.1399 0.091 Uiso 1 1 d R . . . .
C19 C -0.0268(6) 0.8925(6) -0.1153(7) 0.063(3) Uani 1 1 d . . . . .
H19A H 0.0179 0.9125 -0.0863 0.094 Uiso 1 1 d R . . . .
H19B H -0.0496 0.9249 -0.1270 0.094 Uiso 1 1 d R . . . .
H19C H -0.0277 0.8569 -0.1555 0.094 Uiso 1 1 d R . . . .
C20 C -0.0581(5) 0.8671(4) -0.0803(5) 0.036(2) Uani 1 1 d . . . . .
H20 H -0.1046 0.8468 -0.1108 0.044 Uiso 1 1 calc R . . . .
C21 C -0.0578(5) 0.9201(5) -0.0158(5) 0.050(3) Uani 1 1 d . . . . .
H21A H -0.0777 0.9002 0.0056 0.075 Uiso 1 1 d R . . . .
H21B H -0.0821 0.9525 -0.0256 0.075 Uiso 1 1 d R . . . .
H21C H -0.0134 0.9411 0.0137 0.075 Uiso 1 1 d R . . . .
C22 C -0.1721(6) 0.5698(8) -0.4812(6) 0.068(4) Uani 1 1 d . . . . .
H22A H -0.1399 0.6017 -0.4399 0.103 Uiso 1 1 d R . . . .
H22B H -0.1874 0.5897 -0.5127 0.103 Uiso 1 1 d R . . . .
H22C H -0.1527 0.5328 -0.4998 0.103 Uiso 1 1 d R . . . .
C23 C -0.2296(5) 0.5462(6) -0.4673(5) 0.049(3) Uani 1 1 d . . . . .
H23 H -0.2482 0.5860 -0.4474 0.058 Uiso 1 1 calc R . . . .
C24 C -0.2854(7) 0.4969(8) -0.5303(7) 0.089(5) Uani 1 1 d . . . . .
H24A H -0.2699 0.4570 -0.5493 0.134 Uiso 1 1 d R . . . .
H24B H -0.2999 0.5159 -0.5627 0.134 Uiso 1 1 d R . . . .
H24C H -0.3214 0.4870 -0.5184 0.134 Uiso 1 1 d R . . . .
C25 C 0.1135(7) 0.5879(8) -0.2949(8) 0.110(5) Uani 1 1 d D U . . .
H25A H 0.1399 0.5928 -0.2502 0.164 Uiso 1 1 d R . . . .
H25B H 0.1413 0.5967 -0.3165 0.164 Uiso 1 1 d R . . . .
H25C H 0.0891 0.5437 -0.3205 0.164 Uiso 1 1 d R . . . .
C26 C 0.0668(6) 0.6391(7) -0.2841(5) 0.082(3) Uani 1 1 d D U . . .
H26 H 0.0910 0.6858 -0.2602 0.099 Uiso 1 1 calc R . . . .
C27 C 0.0225(5) 0.6227(7) -0.3570(5) 0.075(3) Uani 1 1 d D U . . .
H27A H 0.0065 0.5760 -0.3810 0.113 Uiso 1 1 d R . . . .
H27B H 0.0467 0.6372 -0.3788 0.113 Uiso 1 1 d R . . . .
H27C H -0.0138 0.6455 -0.3565 0.113 Uiso 1 1 d R . . . .
C28 C 0.2602(6) 0.7118(6) -0.1501(6) 0.057(3) Uani 1 1 d . . . . .
H28A H 0.2924 0.7002 -0.1180 0.085 Uiso 1 1 d R . . . .
H28B H 0.2804 0.7254 -0.1755 0.085 Uiso 1 1 d R . . . .
H28C H 0.2259 0.6742 -0.1801 0.085 Uiso 1 1 d R . . . .
C29 C 0.2332(5) 0.7670(5) -0.1137(5) 0.041(2) Uani 1 1 d . . . . .
H29 H 0.2016 0.7811 -0.1467 0.049 Uiso 1 1 calc R . . . .
C30 C 0.2914(7) 0.8266(6) -0.0627(7) 0.073(4) Uani 1 1 d . . . . .
H30A H 0.2751 0.8620 -0.0363 0.110 Uiso 1 1 d R . . . .
H30B H 0.3110 0.8419 -0.0875 0.110 Uiso 1 1 d R . . . .
H30C H 0.3237 0.8122 -0.0334 0.110 Uiso 1 1 d R . . . .
C31 C 0.3928(7) 0.9264(7) 0.1285(7) 0.072(4) Uani 1 1 d . . . . .
H31A H 0.4140 0.8920 0.1080 0.109 Uiso 1 1 d R . . . .
H31B H 0.4181 0.9687 0.1416 0.109 Uiso 1 1 d R . . . .
H31C H 0.3497 0.9221 0.0968 0.109 Uiso 1 1 d R . . . .
C32 C 0.3868(6) 0.9208(6) 0.1881(6) 0.066(3) Uani 1 1 d . . . . .
H32 H 0.3608 0.9549 0.2046 0.079 Uiso 1 1 calc R . . . .
C33 C 0.4480(8) 0.9353(9) 0.2435(11) 0.128(8) Uani 1 1 d . . . . .
H33A H 0.4383 0.9373 0.2819 0.192 Uiso 1 1 d R . . . .
H33B H 0.4727 0.9770 0.2538 0.192 Uiso 1 1 d R . . . .
H33C H 0.4733 0.9012 0.2326 0.192 Uiso 1 1 d R . . . .
C34 C 0.4326(7) 0.6694(7) -0.0319(7) 0.070(4) Uani 1 1 d . . . . .
H34A H 0.4015 0.6979 -0.0387 0.105 Uiso 1 1 d R . . . .
H34B H 0.4517 0.6591 -0.0658 0.105 Uiso 1 1 d R . . . .
H34C H 0.4665 0.6913 0.0119 0.105 Uiso 1 1 d R . . . .
C35 C 0.3987(4) 0.6079(5) -0.0369(5) 0.035(2) Uani 1 1 d . . . . .
H35 H 0.4324 0.5815 -0.0235 0.042 Uiso 1 1 calc R . . . .
C36 C 0.3513(5) 0.5664(5) -0.1078(5) 0.044(2) Uani 1 1 d . . . . .
H36A H 0.3368 0.5235 -0.1111 0.066 Uiso 1 1 d R . . . .
H36B H 0.3727 0.5619 -0.1391 0.066 Uiso 1 1 d R . . . .
H36C H 0.3142 0.5875 -0.1182 0.066 Uiso 1 1 d R . . . .
C37 C 0.3278(4) 0.3685(5) -0.0988(4) 0.038(2) Uani 1 1 d . . . . .
H37A H 0.2910 0.3360 -0.1101 0.057 Uiso 1 1 d R . . . .
H37B H 0.3497 0.3513 -0.1299 0.057 Uiso 1 1 d R . . . .
H37C H 0.3129 0.4079 -0.1016 0.057 Uiso 1 1 d R . . . .
C38 C 0.3753(4) 0.3846(5) -0.0277(4) 0.0312(19) Uani 1 1 d . . . . .
H38 H 0.3892 0.3429 -0.0252 0.037 Uiso 1 1 calc R . . . .
C39 C 0.4349(5) 0.4331(7) -0.0083(6) 0.060(3) Uani 1 1 d . . . . .
H39A H 0.4221 0.4719 -0.0146 0.090 Uiso 1 1 d R . . . .
H39B H 0.4595 0.4135 -0.0358 0.090 Uiso 1 1 d R . . . .
H39C H 0.4614 0.4451 0.0383 0.090 Uiso 1 1 d R . . . .
C40 C 0.6022(7) 0.6626(12) 0.2980(10) 0.132(9) Uani 1 1 d . . . . .
H40A H 0.5964 0.6980 0.2833 0.197 Uiso 1 1 d R . . . .
H40B H 0.6474 0.6576 0.3100 0.197 Uiso 1 1 d R . . . .
H40C H 0.5899 0.6725 0.3364 0.197 Uiso 1 1 d R . . . .
C41 C 0.5614(4) 0.6007(6) 0.2447(5) 0.047(3) Uani 1 1 d . . . . .
H41 H 0.5716 0.5681 0.2655 0.057 Uiso 1 1 calc R . . . .
C42 C 0.5722(6) 0.5700(8) 0.1817(7) 0.073(4) Uani 1 1 d . . . . .
H42A H 0.5541 0.5236 0.1612 0.110 Uiso 1 1 d R . . . .
H42B H 0.6184 0.5758 0.1906 0.110 Uiso 1 1 d R . . . .
H42C H 0.5511 0.5900 0.1516 0.110 Uiso 1 1 d R . . . .
C43 C 0.5075(8) 0.9067(9) 0.4850(6) 0.120(5) Uani 1 1 d D U . . .
H43A H 0.4714 0.9283 0.4942 0.180 Uiso 1 1 calc GR . . . .
H43B H 0.5486 0.9389 0.5097 0.180 Uiso 1 1 calc GR . . . .
H43C H 0.5113 0.8703 0.4996 0.180 Uiso 1 1 calc GR . . . .
C44 C 0.4936(5) 0.8797(7) 0.4093(6) 0.079(3) Uani 1 1 d D U . . .
H44 H 0.4849 0.9142 0.3909 0.094 Uiso 1 1 calc R . . . .
C45 C 0.5578(6) 0.8553(8) 0.4079(8) 0.107(5) Uani 1 1 d D U . . .
H45A H 0.5645 0.8206 0.4235 0.161 Uiso 1 1 d R . . . .
H45B H 0.5942 0.8915 0.4352 0.161 Uiso 1 1 d R . . . .
H45C H 0.5546 0.8390 0.3618 0.161 Uiso 1 1 d R . . . .
C46 C 0.1974(8) 0.8576(7) 0.5893(6) 0.076(4) Uani 1 1 d . . . . .
H46A H 0.1834 0.8151 0.5873 0.114 Uiso 1 1 d R . . . .
H46B H 0.1983 0.8915 0.6306 0.114 Uiso 1 1 d R . . . .
H46C H 0.2405 0.8599 0.5877 0.114 Uiso 1 1 d R . . . .
C47 C 0.1518(5) 0.8673(5) 0.5311(5) 0.045(2) Uani 1 1 d . . . . .
H47 H 0.1642 0.9137 0.5372 0.054 Uiso 1 1 calc R . . . .
C48 C 0.0800(8) 0.8560(10) 0.5225(7) 0.116(7) Uani 1 1 d . . . . .
H48A H 0.0524 0.8504 0.4780 0.174 Uiso 1 1 d R . . . .
H48B H 0.0718 0.8935 0.5552 0.174 Uiso 1 1 d R . . . .
H48C H 0.0706 0.8171 0.5294 0.174 Uiso 1 1 d R . . . .
C49 C -0.0257(6) 0.5715(12) 0.4609(8) 0.141(6) Uani 1 1 d D U . . .
H49A H -0.0535 0.5278 0.4331 0.211 Uiso 1 1 calc GR . . . .
H49B H -0.0364 0.5928 0.5011 0.211 Uiso 1 1 calc GR . . . .
H49C H 0.0205 0.5667 0.4745 0.211 Uiso 1 1 calc GR . . . .
C50 C -0.0377(5) 0.6140(9) 0.4201(6) 0.146(6) Uani 1 1 d D U . . .
H50 H -0.0345 0.6618 0.4480 0.176 Uiso 1 1 calc R . . . .
C51 C -0.1072(4) 0.5800(14) 0.3685(8) 0.164(7) Uani 1 1 d D U . . .
H51A H -0.1098 0.5758 0.3237 0.246 Uiso 1 1 calc GR . . . .
H51B H -0.1390 0.6064 0.3815 0.246 Uiso 1 1 calc GR . . . .
H51C H -0.1170 0.5359 0.3672 0.246 Uiso 1 1 calc GR . . . .
C52 C -0.1653(5) 0.7069(6) 0.2591(7) 0.056(3) Uani 1 1 d . . . . .
H52A H -0.1811 0.6887 0.2108 0.083 Uiso 1 1 d R . . . .
H52B H -0.2012 0.7173 0.2738 0.083 Uiso 1 1 d R . . . .
H52C H -0.1452 0.6753 0.2748 0.083 Uiso 1 1 d R . . . .
C53 C -0.1148(4) 0.7698(5) 0.2875(5) 0.038(2) Uani 1 1 d . . . . .
H53 H -0.1357 0.8010 0.2684 0.046 Uiso 1 1 calc R . . . .
C54 C -0.0911(6) 0.8036(7) 0.3630(6) 0.062(3) Uani 1 1 d . . . . .
H54A H -0.0676 0.7757 0.3823 0.093 Uiso 1 1 d R . . . .
H54B H -0.1281 0.8118 0.3763 0.093 Uiso 1 1 d R . . . .
H54C H -0.0626 0.8448 0.3786 0.093 Uiso 1 1 d R . . . .
C55 C 0.3401(11) 0.9951(11) 0.3447(14) 0.151(9) Uani 1 1 d . U . . .
H55A H 0.3673 0.9659 0.3578 0.226 Uiso 1 1 d R . . . .
H55B H 0.3638 1.0397 0.3691 0.226 Uiso 1 1 d R . . . .
H55C H 0.3280 0.9830 0.2972 0.226 Uiso 1 1 d R . . . .
C56 C 0.2839(6) 0.9903(6) 0.3581(8) 0.069(4) Uani 1 1 d . U . . .
H56 H 0.3005 1.0040 0.4080 0.083 Uiso 1 1 calc R . . . .
C57 C 0.2405(8) 1.0375(6) 0.3470(8) 0.086(5) Uani 1 1 d . U . . .
H57A H 0.2127 1.0209 0.3002 0.129 Uiso 1 1 d R . . . .
H57B H 0.2668 1.0792 0.3597 0.129 Uiso 1 1 d R . . . .
H57C H 0.2141 1.0433 0.3740 0.129 Uiso 1 1 d R . . . .
C58 C -0.0473(6) 0.9956(7) 0.1698(7) 0.066(3) Uani 1 1 d . . . . .
H58A H -0.0551 0.9778 0.1225 0.099 Uiso 1 1 d R . . . .
H58B H -0.0486 1.0420 0.1854 0.099 Uiso 1 1 d R . . . .
H58C H -0.0804 0.9735 0.1773 0.099 Uiso 1 1 d R . . . .
C59 C 0.0184(6) 0.9852(6) 0.2070(6) 0.058(3) Uani 1 1 d . . . . .
H59 H 0.0500 1.0033 0.1921 0.070 Uiso 1 1 calc R . . . .
C60 C 0.0423(8) 1.0213(7) 0.2804(9) 0.093(5) Uani 1 1 d . . . . .
H60A H 0.0108 1.0099 0.2969 0.139 Uiso 1 1 d R . . . .
H60B H 0.0486 1.0681 0.2921 0.139 Uiso 1 1 d R . . . .
H60C H 0.0832 1.0095 0.3003 0.139 Uiso 1 1 d R . . . .
C61 C -0.2220(7) 0.3030(10) -0.6533(8) 0.074(4) Uani 1 1 d . . . . .
C62 C -0.1941(6) 0.7774(7) -0.3313(6) 0.058(3) Uani 1 1 d . . . . .
C63 C 0.5724(8) 0.3648(9) 0.2280(8) 0.203(6) Uani 1 1 d D U . . .
C64 C 0.6141(10) 0.7004(15) 0.5087(14) 0.129(4) Uani 1 1 d . U . . .
C65 C 0.3953(8) 0.9630(8) 0.6183(6) 0.317(8) Uiso 1 1 d D U . . .
C67 C 0.6105(6) 0.8039(7) 0.2067(8) 0.074(4) Uani 1 1 d . . . . .
C68 C 0.5074(10) 0.1657(10) 0.0155(14) 0.138(9) Uani 1 1 d . U . . .
H68A H 0.5279 0.1774 -0.0107 0.206 Uiso 1 1 d R . . . .
H68B H 0.5084 0.1202 0.0077 0.206 Uiso 1 1 d R . . . .
H68C H 0.5306 0.1930 0.0625 0.206 Uiso 1 1 d R . . . .
C69 C 0.3913(12) 0.1281(11) -0.0649(10) 0.168(11) Uani 1 1 d D U . . .
H69A H 0.3485 0.1391 -0.0705 0.252 Uiso 1 1 d R . . . .
H69B H 0.3915 0.0854 -0.0634 0.252 Uiso 1 1 d R . . . .
H69C H 0.4025 0.1273 -0.1022 0.252 Uiso 1 1 d R . . . .
C70 C 0.4275(9) 0.2323(9) 0.0277(10) 0.093(3) Uani 1 1 d . U . . .
H70 H 0.4629 0.2629 0.0657 0.112 Uiso 1 1 calc R . . . .
C71 C 0.2189(5) 1.0358(5) 0.1440(7) 0.058(3) Uani 1 1 d . . . . .
F1 F -0.1898(5) 0.3123(8) -0.6897(4) 0.149(6) Uani 1 1 d . . . . .
F2 F -0.2491(5) 0.2422(6) -0.6752(4) 0.104(3) Uani 1 1 d . . . . .
F3 F -0.2687(4) 0.3417(6) -0.6553(5) 0.104(3) Uani 1 1 d . . . . .
F4 F -0.1477(4) 0.8247(5) -0.3116(5) 0.093(3) Uani 1 1 d . . . . .
F5 F -0.2160(4) 0.7457(5) -0.3976(4) 0.086(2) Uani 1 1 d . . . . .
F6 F -0.2457(4) 0.8019(4) -0.3188(4) 0.077(2) Uani 1 1 d . . . . .
F7 F 0.1945(5) 1.0737(4) 0.1843(5) 0.090(3) Uani 1 1 d . . . . .
F8 F 0.2071(3) 1.0551(3) 0.0930(5) 0.078(2) Uani 1 1 d . . . . .
F9 F 0.2829(3) 1.0456(4) 0.1733(5) 0.102(3) Uani 1 1 d . . . . .
F10 F -0.2179(9) 0.8780(9) 0.2970(9) 0.072(3) Uani 0.5 1 d . U P H 2
F11 F -0.2437(8) 0.9787(8) 0.3044(9) 0.078(2) Uani 0.5 1 d . U P H 1
F11A F -0.2241(8) 0.9806(8) 0.3419(9) 0.078(2) Uani 0.5 1 d . U P H 2
F12 F -0.1603(6) 0.9500(6) 0.3754(7) 0.078(2) Uani 0.6 1 d . U P H 1
F12A F -0.2429(9) 0.9312(9) 0.2350(10) 0.078(2) Uani 0.4 1 d . U P H 2
F13 F 0.6405(5) 0.6482(8) 0.4871(7) 0.143(4) Uani 1 1 d . U . . .
F14 F 0.6324(6) 0.7187(8) 0.5732(8) 0.155(4) Uani 1 1 d . U . . .
F15 F 0.6417(5) 0.7424(8) 0.4959(7) 0.145(4) Uani 1 1 d . U . . .
F16 F 0.5711(7) 0.3043(9) 0.1727(7) 0.232(6) Uani 1 1 d D U . . .
F17 F 0.5842(7) 0.3494(9) 0.2854(7) 0.195(5) Uani 1 1 d D U . . .
F18 F 0.6301(7) 0.4103(8) 0.2423(9) 0.217(6) Uani 1 1 d D U . . .
F19 F 0.6475(4) 0.7810(6) 0.2478(6) 0.114(3) Uani 1 1 d . . . . .
F20 F 0.6334(4) 0.7930(5) 0.1604(5) 0.098(3) Uani 1 1 d . . . . .
F21 F 0.6167(5) 0.8676(5) 0.2410(6) 0.127(4) Uani 1 1 d . . . . .
F22 F 0.4622(7) 0.9506(13) 0.6310(9) 0.322(8) Uiso 1 1 d D U . . .
F23 F 0.3667(11) 0.9336(12) 0.6521(8) 0.317(8) Uiso 1 1 d D U . . .
F24 F 0.3981(12) 1.0338(7) 0.6492(8) 0.314(8) Uiso 1 1 d D U . . .
Mo1 Mo -0.17209(3) 0.51980(4) 0.15007(3) 0.02600(15) Uani 1 1 d . . . . .
Mo2 Mo -0.10374(3) 0.29167(3) -0.05800(3) 0.02094(14) Uani 1 1 d . . . . .
Mo3 Mo -0.12711(3) 0.28337(3) -0.20798(3) 0.02221(14) Uani 1 1 d . . . . .
Mo4 Mo -0.23412(3) 0.34540(3) -0.12152(3) 0.01969(14) Uani 1 1 d . . . . .
Mo5 Mo -0.26179(3) 0.33497(3) -0.27407(3) 0.02332(15) Uani 1 1 d . . . . .
Mo6 Mo -0.23225(3) 0.49255(3) -0.16680(3) 0.02034(14) Uani 1 1 d . . . . .
Mo7 Mo -0.10134(3) 0.57598(3) -0.15487(3) 0.02136(14) Uani 1 1 d . . . . .
Mo8 Mo -0.13488(3) 0.42344(3) -0.26460(3) 0.02009(14) Uani 1 1 d . . . . .
N1 N 0.4408(8) 0.1759(8) -0.0041(9) 0.097(3) Uani 1 1 d D U . . .
N2 N 0.2016(8) 0.9377(9) -0.1214(10) 0.050(2) Uani 0.5 1 d . U P E 1
N2A N 0.0484(11) 0.8157(10) -0.2987(11) 0.064(3) Uani 0.5 1 d . U P F 2
N3 N 0.2081(13) 1.1033(11) 0.5207(11) 0.092(4) Uani 0.5 1 d D U P D 1
N3A N 0.0760(12) 1.0246(10) 0.4476(8) 0.112(5) Uani 0.5 1 d D U P G 2
O1 O -0.1169(3) 0.2164(3) -0.0508(3) 0.0278(12) Uani 1 1 d . . . . .
O2 O -0.0210(3) 0.3034(3) -0.0497(3) 0.0271(12) Uani 1 1 d . . . . .
O3 O -0.1019(3) 0.3517(3) 0.0199(3) 0.0255(12) Uani 1 1 d . . . . .
O4 O -0.2111(2) 0.2785(3) -0.0961(3) 0.0239(11) Uani 1 1 d . . . . .
O5 O -0.1321(2) 0.3509(2) -0.1114(2) 0.0190(10) Uani 1 1 d . . . . .
O6 O -0.2188(2) 0.4120(3) -0.0446(3) 0.0232(11) Uani 1 1 d . . . . .
O7 O -0.3200(2) 0.3205(3) -0.1548(3) 0.0243(12) Uani 1 1 d . . . . .
O8 O -0.2337(2) 0.4037(3) -0.1695(3) 0.0205(11) Uani 1 1 d . . . . .
O9 O -0.1320(3) 0.2287(3) -0.1652(3) 0.0259(12) Uani 1 1 d . . . . .
O10 O -0.0431(3) 0.3129(3) -0.1804(3) 0.0272(12) Uani 1 1 d . . . . .
O11 O -0.2368(3) 0.2807(3) -0.2243(3) 0.0247(12) Uani 1 1 d . . . . .
O12 O -0.1439(3) 0.2222(3) -0.2872(3) 0.0317(13) Uani 1 1 d . . . . .
O13 O -0.2652(3) 0.2768(3) -0.3516(3) 0.0334(13) Uani 1 1 d . . . . .
O14 O -0.1608(3) 0.3763(3) -0.3515(3) 0.0289(13) Uani 1 1 d . . . . .
O15 O -0.3436(3) 0.3375(3) -0.2873(3) 0.0315(13) Uani 1 1 d . . . . .
O16 O -0.1557(2) 0.3527(3) -0.2379(3) 0.0219(11) Uani 1 1 d . . . . .
O17 O -0.2380(2) 0.4203(3) -0.2738(3) 0.0226(11) Uani 1 1 d . . . . .
O18 O -0.1305(2) 0.4858(2) -0.1605(2) 0.0181(10) Uani 1 1 d . . . . .
O19 O -0.2099(3) 0.5325(3) -0.0795(3) 0.0259(12) Uani 1 1 d . . . . .
O20 O -0.3161(3) 0.4898(3) -0.1969(3) 0.0269(12) Uani 1 1 d . . . . .
O21 O -0.2091(3) 0.5576(3) -0.1910(3) 0.0252(12) Uani 1 1 d . . . . .
O22 O -0.0949(3) 0.6204(3) -0.0715(3) 0.0266(12) Uani 1 1 d . . . . .
O23 O -0.0203(3) 0.5653(3) -0.1467(3) 0.0274(12) Uani 1 1 d . . . . .
O24 O -0.1128(3) 0.6366(3) -0.1902(3) 0.0285(12) Uani 1 1 d . . . . .
O25 O -0.0510(3) 0.4202(3) -0.2354(3) 0.0251(12) Uani 1 1 d . . . . .
O26 O -0.1338(3) 0.5063(3) -0.2624(3) 0.0235(11) Uani 1 1 d . . . . .
O27 O -0.2174(3) 0.5457(3) 0.2008(3) 0.0402(15) Uani 1 1 d . . . . .
O28 O -0.2050(3) 0.5412(3) 0.0801(3) 0.0320(13) Uani 1 1 d . . . . .
O29 O -0.1760(3) 0.4340(3) 0.1218(3) 0.0363(14) Uani 1 1 d . . . . .
O30 O -0.0882(3) 0.5600(3) 0.1982(3) 0.0312(13) Uani 1 1 d . . . . .
O31 O -0.1893(7) 0.9503(7) 0.2075(8) 0.067(2) Uani 0.6 1 d . U P H 1
O31A O -0.0891(11) 0.9650(11) 0.3772(12) 0.070(2) Uani 0.4 1 d . U P H 2
O32 O -0.1049(14) 0.9110(13) 0.2608(12) 0.0522(14) Uani 0.5 1 d . U P H 2
O33 O -0.1199(9) 1.0255(11) 0.3065(11) 0.055(2) Uani 0.5 1 d . U P H 2
O34 O -0.1199(4) 0.6962(5) -0.3148(6) 0.077(3) Uani 1 1 d . . . . .
O35 O -0.1514(5) 0.7612(4) -0.2220(4) 0.080(3) Uani 1 1 d . . . . .
O36 O -0.2272(4) 0.6714(4) -0.3163(4) 0.0522(18) Uani 1 1 d . . . . .
O37 O -0.1425(4) 0.4052(5) -0.5438(4) 0.062(2) Uani 1 1 d . . . . .
O38 O -0.1151(4) 0.2952(5) -0.5702(5) 0.078(3) Uani 1 1 d . . . . .
O39 O -0.2037(4) 0.3223(4) -0.5304(4) 0.062(2) Uani 1 1 d . . . . .
O40 O 0.1135(3) 0.9488(4) 0.0825(4) 0.058(2) Uani 1 1 d . . . . .
O41 O 0.2011(3) 0.9366(3) 0.1715(4) 0.0481(17) Uani 1 1 d . . . . .
O42 O 0.2119(5) 0.9163(4) 0.0649(5) 0.066(2) Uani 1 1 d . . . . .
O43 O 0.4913(4) 0.7961(4) 0.1292(4) 0.061(2) Uani 1 1 d . . . . .
O44 O 0.5071(5) 0.7780(7) 0.2294(6) 0.094(3) Uani 1 1 d . . . . .
O45 O 0.5254(4) 0.6960(4) 0.1376(5) 0.068(2) Uani 1 1 d . . . . .
O46 O 0.5051(5) 0.6328(7) 0.4899(6) 0.104(3) Uani 1 1 d . U . . .
O47 O 0.5106(6) 0.7466(6) 0.5002(6) 0.124(3) Uani 1 1 d D U . . .
O48 O 0.5037(6) 0.6648(8) 0.4052(6) 0.123(3) Uani 1 1 d . U . . .
O49 O 0.4579(6) 0.3532(7) 0.1947(9) 0.140(4) Uani 1 1 d . U . . .
O50 O 0.5038(7) 0.4179(7) 0.1563(7) 0.122(4) Uani 1 1 d . U . . .
O51 O 0.5201(6) 0.4615(6) 0.2745(7) 0.111(3) Uani 1 1 d . U . . .
O52 O 0.3787(9) 0.9722(9) 0.5029(9) 0.155(4) Uiso 1 1 d . U . D 1
O53 O 0.2826(8) 0.9508(9) 0.5265(9) 0.148(3) Uiso 1 1 d . U . D 1
O54 O 0.3405(7) 0.8646(8) 0.4953(8) 0.127(5) Uiso 1 1 d . . . D 1
O55 O 0.3753(6) 0.2509(5) 0.0149(6) 0.092(3) Uani 1 1 d . U . . .
O56 O 0.1315(6) 0.8789(7) -0.1052(8) 0.047(2) Uani 0.5 1 d . U P E 1
O56A O 0.0475(9) 0.7888(9) -0.2117(9) 0.065(4) Uani 0.5 1 d . U P F 2
O57 O 0.1650(11) 0.9903(10) 0.4577(9) 0.087(4) Uani 0.5 1 d . U P D 1
O57A O 0.0532(10) 0.9199(9) 0.3739(7) 0.083(5) Uani 0.5 1 d . U P G 2
S1 S -0.1419(3) 0.9584(2) 0.2728(3) 0.0523(11) Uani 0.607(7) 1 d . U P H 1
S1A S -0.1187(4) 0.9615(4) 0.3117(5) 0.0527(12) Uani 0.393(7) 1 d . U P H 2
S2 S -0.27935(14) 0.71470(13) -0.13193(14) 0.0448(6) Uani 1 1 d . . . . .
S3 S -0.13786(10) 0.72987(10) 0.04582(11) 0.0283(4) Uani 1 1 d . . . . .
S4 S 0.01964(12) 0.89533(11) 0.17801(12) 0.0371(5) Uani 1 1 d . . . . .
S5 S 0.23756(12) 0.90564(11) 0.32374(13) 0.0406(5) Uani 1 1 d . U . . .
S6 S 0.42615(10) 0.80726(11) 0.36469(11) 0.0330(5) Uani 1 1 d . U . . .
S7 S 0.15772(13) 0.81063(14) 0.45132(12) 0.0475(6) Uani 1 1 d . . . . .
S8 S 0.01819(11) 0.59908(13) 0.37267(11) 0.0367(5) Uani 1 1 d D U . . .
S9 S -0.04601(11) 0.74762(12) 0.25883(11) 0.0332(5) Uani 1 1 d . . . . .
S10 S -0.37103(11) 0.51102(13) -0.32939(11) 0.0353(5) Uani 1 1 d . U . . .
S11 S -0.34190(11) 0.30570(12) -0.47399(11) 0.0360(5) Uani 1 1 d . . . . .
S12 S -0.20014(10) 0.51207(11) -0.40336(11) 0.0309(5) Uani 1 1 d . . . . .
S13 S 0.01943(10) 0.61939(12) -0.23990(11) 0.0324(5) Uani 1 1 d . U . . .
S14 S 0.19092(10) 0.74385(11) -0.06604(11) 0.0298(4) Uani 1 1 d . . . . .
S15 S 0.35274(9) 0.62661(11) 0.02108(11) 0.0278(4) Uani 1 1 d . . . . .
S16 S 0.33281(10) 0.41781(11) 0.03181(11) 0.0284(4) Uani 1 1 d . . . . .
S17 S 0.47322(10) 0.60222(12) 0.23020(11) 0.0308(5) Uani 1 1 d . . . . .
S18 S 0.33802(11) 0.83964(11) 0.16520(12) 0.0335(5) Uani 1 1 d . . . . .
S19 S -0.01581(10) 0.80176(11) -0.06001(11) 0.0287(4) Uani 1 1 d . . . . .
S20 S -0.16438(14) 0.33595(17) -0.56463(13) 0.0522(7) Uani 1 1 d . . . . .
S21 S -0.17021(13) 0.71980(13) -0.29190(13) 0.0462(6) Uani 1 1 d . . . . .
S22 S 0.18251(12) 0.94886(12) 0.11149(14) 0.0415(6) Uani 1 1 d . . . . .
S23 S 0.3478(4) 0.9292(4) 0.5266(4) 0.145(2) Uiso 1 1 d D U . D 1
S24 S 0.5265(2) 0.6790(3) 0.4680(3) 0.1166(17) Uani 1 1 d D U . . .
S25 S 0.52424(12) 0.76407(16) 0.17201(16) 0.0532(7) Uani 1 1 d . . . . .
S26 S 0.5009(2) 0.3974(3) 0.2098(3) 0.0975(13) Uani 1 1 d . U . . .
O32A O -0.1015(14) 0.9064(13) 0.2730(12) 0.0520(14) Uani 0.5 1 d . U P H 1
O33A O -0.1027(9) 1.0221(11) 0.3201(11) 0.055(2) Uani 0.5 1 d . U P H 1
F10A F -0.2312(9) 0.8765(9) 0.2673(9) 0.074(2) Uani 0.5 1 d . U P H 1


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 Ag15 3.074(3) 2_565 ?
Ag1 Ag36 3.353(11) . ?
Ag1 O51 2.534(17) 2_565 ?
Ag1 S10 2.477(6) . ?
Ag1 S17 2.499(3) 2_565 ?
Ag1A Ag15 3.150(10) 2_565 ?
Ag1A Ag36 2.93(2) . ?
Ag1A O20 2.537(13) . ?
Ag1A S10 2.442(11) . ?
Ag1A S17 2.495(6) 2_565 ?
Ag2 Ag3 2.990(3) . ?
Ag2 Ag14 3.3503(11) . ?
Ag2 O19 2.393(6) 2_565 ?
Ag2 S3 2.355(2) 2_565 ?
Ag2 S16 2.456(2) . ?
Ag2A Ag14 2.797(8) . ?
Ag2A Ag24 3.248(8) 2_565 ?
Ag2A O28 2.474(11) 2_565 ?
Ag2A S3 2.523(7) 2_565 ?
Ag2A S16 2.740(8) . ?
Ag3 Ag15 3.363(4) . ?
Ag3 Ag38 3.078(4) 2_565 ?
Ag3 O55 2.360(11) . ?
Ag3 S2 2.468(4) 2_565 ?
Ag3 S16 2.534(4) . ?
Ag3A Ag15 3.317(9) . ?
Ag3A Ag38 2.992(11) 2_565 ?
Ag3A S2 2.395(11) 2_565 ?
Ag3A S16 2.370(19) . ?
Ag4 Ag19 2.9600(14) . ?
Ag4 O15 2.459(6) 2_565 ?
Ag4 S6 2.436(3) . ?
Ag4 S17 2.412(3) . ?
Ag4A Ag19 2.991(11) . ?
Ag4A S6 2.443(11) . ?
Ag4A S17 2.576(12) . ?
Ag5 Ag8 3.2514(17) . ?
Ag5 Ag20 3.2913(19) . ?
Ag5 O53 2.556(17) . ?
Ag5 O57 2.55(2) . ?
Ag5 S5 2.444(3) . ?
Ag5 S7 2.554(3) . ?
Ag5A Ag8 3.224(10) . ?
Ag5A Ag20 2.869(10) . ?
Ag5A Ag34 2.802(12) 2_565 ?
Ag5A O12 2.340(10) 2_565 ?
Ag5A S5 2.675(10) . ?
Ag5A S7 2.313(9) . ?
Ag6 Ag8 2.9781(13) . ?
Ag6 Ag9 2.9533(12) . ?
Ag6 Ag34 3.1924(17) 2_565 ?
Ag6 O14 2.541(6) 2_565 ?
Ag6 S7 2.417(3) . ?
Ag6 S8 2.497(3) . ?
Ag6A Ag8 3.150(7) . ?
Ag6A Ag9 2.955(6) . ?
Ag6A S7 2.763(8) . ?
Ag6A S8 2.285(7) . ?
Ag7 Ag27 2.970(3) . ?
Ag7 O56 2.400(12) . ?
Ag7 S14 2.552(3) . ?
Ag7 S19 2.530(3) . ?
Ag7A Ag26 3.367(10) . ?
Ag7A Ag27 2.735(12) . ?
Ag7A Ag28 3.019(19) . ?
Ag7A Ag30 3.366(9) . ?
Ag7A O1 2.322(15) 2_565 ?
Ag7A S14 2.414(10) . ?
Ag7A S19 2.425(10) . ?
Ag8 Ag9 2.9204(10) . ?
Ag8 Ag23 3.1151(11) . ?
Ag8 S7 2.445(3) . ?
Ag8 S9 2.444(2) . ?
Ag9 Ag11 3.2478(8) . ?
Ag9 Ag31 3.2888(10) 2_565 ?
Ag9 O25 2.497(5) 2_565 ?
Ag9 O30 2.439(6) . ?
Ag9 S8 2.542(2) . ?
Ag9 S9 2.477(2) . ?
Ag10 Ag11 2.7207(8) . ?
Ag10 Ag12 2.8772(8) 2_565 ?
Ag10 Ag13 2.8635(8) . ?
Ag10 Ag13 2.9018(8) 2_565 ?
Ag10 Ag14 2.7006(8) 2_565 ?
Ag10 Ag24 3.0707(9) . ?
Ag10 O2 2.336(6) 2_565 ?
Ag10 O22 2.319(5) . ?
Ag11 Ag12 2.6810(8) . ?
Ag11 Ag13 2.9170(8) . ?
Ag11 Ag14 2.9062(8) 2_565 ?
Ag11 Ag24 3.0564(9) . ?
Ag11 O10 2.417(5) 2_565 ?
Ag11 O25 2.364(5) 2_565 ?
Ag11 O30 2.410(5) . ?
Ag12 Ag10 2.8771(8) 2_565 ?
Ag12 Ag13 2.8132(8) 2_565 ?
Ag12 Ag13 2.8866(8) . ?
Ag12 Ag14 2.6980(8) 2_565 ?
Ag12 O3 2.296(5) . ?
Ag12 O23 2.318(6) 2_565 ?
Ag13 Ag10 2.9019(8) 2_565 ?
Ag13 Ag12 2.8132(8) 2_565 ?
Ag13 Ag14 2.8950(8) . ?
Ag13 O5 2.378(5) 2_565 ?
Ag13 O18 2.337(5) 2_565 ?
Ag14 Ag10 2.7007(8) 2_565 ?
Ag14 Ag11 2.9061(8) 2_565 ?
Ag14 Ag12 2.6979(8) 2_565 ?
Ag14 Ag16 3.3526(8) . ?
Ag14 O6 2.406(5) 2_565 ?
Ag14 O19 2.362(5) 2_565 ?
Ag14 O28 2.328(5) 2_565 ?
Ag15 Ag1 3.074(3) 2_565 ?
Ag15 Ag1A 3.150(10) 2_565 ?
Ag15 Ag16 3.1138(9) . ?
Ag15 Ag17 2.9298(10) . ?
Ag15 O20 2.573(5) 2_565 ?
Ag15 S16 2.409(2) . ?
Ag15 S17 2.442(2) . ?
Ag16 Ag17 3.0644(9) . ?
Ag16 O6 2.466(5) 2_565 ?
Ag16 O28 2.448(6) 2_565 ?
Ag16 S15 2.532(2) . ?
Ag16 S16 2.503(2) . ?
Ag17 Ag18 3.2541(10) . ?
Ag17 O7 2.547(5) 2_565 ?
Ag17 S15 2.483(2) . ?
Ag17 S17 2.459(2) . ?
Ag18 Ag19 3.2444(11) . ?
Ag18 Ag29 2.9887(10) . ?
Ag18 Ag30 2.9631(9) . ?
Ag18 O43 2.598(8) . ?
Ag18 S15 2.470(2) . ?
Ag18 S18 2.448(2) . ?
Ag19 Ag20 2.9889(14) . ?
Ag19 Ag21 3.3142(11) . ?
Ag19 O7 2.415(6) 2_565 ?
Ag19 S6 2.487(2) . ?
Ag19 S18 2.485(2) . ?
Ag20 Ag21 3.0881(14) . ?
Ag20 Ag40 3.3245(14) . ?
Ag20 S5 2.422(3) . ?
Ag20 S6 2.459(2) . ?
Ag21 Ag22 3.0361(10) . ?
Ag21 Ag30 3.2424(10) . ?
Ag21 O9 2.462(5) 2_565 ?
Ag21 S5 2.658(3) . ?
Ag21 S18 2.552(2) . ?
Ag22 Ag23 3.1686(10) . ?
Ag22 O9 2.578(5) 2_565 ?
Ag22 S4 2.391(3) . ?
Ag22 S5 2.427(3) . ?
Ag23 Ag24 3.0220(11) . ?
Ag23 O32 2.58(3) . ?
Ag23 O57A 2.544(15) . ?
Ag23 S4 2.424(2) . ?
Ag23 S9 2.507(3) . ?
Ag23 O32A 2.53(3) . ?
Ag24 Ag2A 3.248(8) 2_565 ?
Ag24 O10 2.292(6) 2_565 ?
Ag24 S3 2.387(2) . ?
Ag24 S9 2.592(2) . ?
Ag25 Ag26 2.9426(9) . ?
Ag25 Ag39 3.2983(11) . ?
Ag25 O22 2.513(5) . ?
Ag25 S3 2.418(2) . ?
Ag25 S19 2.416(2) . ?
Ag26 O1 2.396(6) 2_565 ?
Ag26 O40 2.535(7) . ?
Ag26 S4 2.437(2) . ?
Ag26 S19 2.631(2) . ?
Ag27 Ag28 3.0001(10) . ?
Ag27 Ag32 3.3526(11) . ?
Ag27 O24 2.500(5) . ?
Ag27 S13 2.498(3) . ?
Ag27 S19 2.468(2) . ?
Ag28 Ag29 3.2481(9) . ?
Ag28 Ag31 3.2860(10) . ?
Ag28 O3 2.321(5) 2_565 ?
Ag28 O29 2.509(6) 2_565 ?
Ag28 S13 2.469(2) . ?
Ag28 S14 2.594(2) . ?
Ag29 Ag30 3.0181(10) . ?
Ag29 O29 2.390(6) 2_565 ?
Ag29 S14 2.517(2) . ?
Ag29 S15 2.505(2) . ?
Ag30 O4 2.550(5) 2_565 ?
Ag30 O42 2.595(8) . ?
Ag30 S14 2.436(2) . ?
Ag30 S18 2.458(2) . ?
Ag31 Ag9 3.2888(10) 2_565 ?
Ag31 Ag32 3.3530(11) . ?
Ag31 O25 2.527(5) . ?
Ag31 O30 2.477(6) 2_565 ?
Ag31 S8 2.684(3) 2_565 ?
Ag31 S13 2.486(2) . ?
Ag32 Ag33 2.8971(12) . ?
Ag32 Ag37 3.3734(10) . ?
Ag32 O26 2.543(5) . ?
Ag32 O34 2.585(9) . ?
Ag32 S12 2.494(2) . ?
Ag32 S13 2.470(2) . ?
Ag33 Ag35 3.0590(10) . ?
Ag33 S8 2.426(2) 2_565 ?
Ag33 S12 2.446(2) . ?
Ag34 Ag5A 2.802(12) 2_565 ?
Ag34 Ag6 3.1924(17) 2_565 ?
Ag34 Ag35 3.2392(12) . ?
Ag34 O13 2.444(6) . ?
Ag34 S7 2.415(3) 2_565 ?
Ag34 S11 2.458(2) . ?
Ag35 Ag36 2.8991(12) . ?
Ag35 O14 2.460(6) . ?
Ag35 O39 2.591(7) . ?
Ag35 S11 2.513(2) . ?
Ag35 S12 2.481(2) . ?
Ag36 Ag37 3.0649(14) . ?
Ag36 S10 2.429(3) . ?
Ag36 S11 2.448(3) . ?
Ag37 Ag38 3.0668(10) . ?
Ag37 O21 2.448(5) . ?
Ag37 O26 2.577(5) . ?
Ag37 S10 2.604(2) . ?
Ag37 S12 2.554(2) . ?
Ag38 Ag3 3.078(4) 2_565 ?
Ag38 Ag3A 2.992(11) 2_565 ?
Ag38 Ag39 3.0368(12) . ?
Ag38 S2 2.410(3) . ?
Ag38 S10 2.418(3) . ?
Ag39 O24 2.211(6) . ?
Ag39 O35 2.525(8) . ?
Ag39 S2 2.393(3) . ?
Ag40 O47 2.472(11) . ?
Ag40 S6 2.452(2) . ?
Ag40 S11 2.486(2) 2_565 ?
C0AA F10 1.29(2) . ?
C0AA F11 1.36(2) . ?
C0AA F11A 1.29(2) . ?
C0AA F12 1.47(2) . ?
C0AA F12A 1.53(3) . ?
C0AA S1 1.781(16) . ?
C0AA S1A 1.768(16) . ?
C0AA F10A 1.31(2) . ?
C1 N2 1.48(3) . ?
C1A N2A 1.48(3) . ?
C2 N2 1.39(3) . ?
C2A N2A 1.44(3) . ?
C3 N2 1.33(3) . ?
C3 O56 1.21(2) . ?
C3A N2A 1.35(3) . ?
C3A O56A 1.22(3) . ?
C4 N3 1.458(10) . ?
C4A N3A 1.450(10) . ?
C5 N3 1.45(3) . ?
C5A N3A 1.449(10) . ?
C6 N3 1.442(10) . ?
C6 O57 1.10(3) . ?
C6A N3A 1.446(7) . ?
C6A O57A 1.25(3) . ?
C7 C8 1.48(2) . ?
C8 C9 1.43(2) . ?
C8 S11 1.850(10) . ?
C10 C11 1.511(9) . ?
C11 C12 1.506(10) . ?
C11 S10 1.802(13) . ?
C13 C14 1.489(18) . ?
C14 C15 1.504(19) . ?
C14 S2 1.850(12) . ?
C16 C17 1.467(16) . ?
C17 C18 1.489(15) . ?
C17 S3 1.872(10) . ?
C19 C20 1.453(14) . ?
C20 C21 1.508(14) . ?
C20 S19 1.869(8) . ?
C22 C23 1.522(15) . ?
C23 C24 1.533(17) . ?
C23 S12 1.842(10) . ?
C25 C26 1.562(9) . ?
C26 C27 1.527(9) . ?
C26 S13 1.818(10) . ?
C28 C29 1.470(15) . ?
C29 C30 1.579(17) . ?
C29 S14 1.839(9) . ?
C31 C32 1.466(18) . ?
C32 C33 1.44(2) . ?
C32 S18 1.858(11) . ?
C34 C35 1.478(15) . ?
C35 C36 1.511(14) . ?
C35 S15 1.863(9) . ?
C37 C38 1.518(12) . ?
C38 C39 1.492(14) . ?
C38 S16 1.850(8) . ?
C40 C41 1.46(2) . ?
C41 C42 1.456(16) . ?
C41 S17 1.857(9) . ?
C43 C44 1.531(9) . ?
C44 C45 1.533(9) . ?
C44 S6 1.851(11) . ?
C46 C47 1.480(16) . ?
C47 C48 1.521(19) . ?
C47 S7 1.848(9) . ?
C49 C50 1.534(10) . ?
C50 C51 1.538(7) . ?
C50 S8 1.855(9) . ?
C52 C53 1.528(15) . ?
C53 C54 1.501(14) . ?
C53 S9 1.850(9) . ?
C55 C56 1.38(2) . ?
C56 C57 1.476(19) . ?
C56 S5 1.848(12) . ?
C58 C59 1.491(16) . ?
C59 C60 1.46(2) . ?
C59 S4 1.855(11) . ?
C61 F1 1.323(15) . ?
C61 F2 1.290(19) . ?
C61 F3 1.360(17) . ?
C61 S20 1.850(15) . ?
C62 F4 1.269(14) . ?
C62 F5 1.320(14) . ?
C62 F6 1.341(14) . ?
C62 S21 1.824(12) . ?
C63 F16 1.455(10) . ?
C63 F17 1.429(10) . ?
C63 F18 1.455(10) . ?
C63 S26 1.741(15) . ?
C64 F13 1.32(3) . ?
C64 F14 1.29(3) . ?
C64 F15 1.26(2) . ?
C64 S24 1.79(2) . ?
C65 F22 1.458(9) . ?
C65 F23 1.445(9) . ?
C65 F24 1.452(9) . ?
C65 S23 1.849(9) . ?
C67 F19 1.300(18) . ?
C67 F20 1.272(17) . ?
C67 F21 1.313(16) . ?
C67 S25 1.834(13) . ?
C68 N1 1.44(2) . ?
C69 N1 1.440(10) . ?
C70 N1 1.29(2) . ?
C70 O55 1.213(17) . ?
C71 F7 1.277(15) . ?
C71 F8 1.344(15) . ?
C71 F9 1.313(13) . ?
C71 S22 1.827(11) . ?
Mo1 O27 1.728(6) . ?
Mo1 O28 1.780(6) . ?
Mo1 O29 1.754(6) . ?
Mo1 O30 1.794(6) . ?
Mo2 O1 1.761(5) . ?
Mo2 O2 1.763(5) . ?
Mo2 O3 1.776(5) . ?
Mo2 O4 2.192(5) . ?
Mo2 O5 2.091(5) . ?
Mo2 O9 2.187(5) . ?
Mo3 O5 2.209(5) . ?
Mo3 O9 1.843(6) . ?
Mo3 O10 1.751(5) . ?
Mo3 O11 2.306(5) . ?
Mo3 O12 1.725(6) . ?
Mo3 O16 1.949(5) . ?
Mo4 O4 1.818(5) . ?
Mo4 O5 2.169(5) . ?
Mo4 O6 1.746(5) . ?
Mo4 O7 1.763(5) . ?
Mo4 O8 1.990(5) . ?
Mo4 O11 2.242(5) . ?
Mo5 O8 2.170(5) . ?
Mo5 O11 1.928(5) . ?
Mo5 O13 1.743(6) . ?
Mo5 O15 1.728(6) . ?
Mo5 O16 2.166(5) . ?
Mo5 O17 1.943(5) . ?
Mo6 O8 1.946(5) . ?
Mo6 O17 2.342(5) . ?
Mo6 O18 2.205(5) . ?
Mo6 O19 1.746(5) . ?
Mo6 O20 1.729(5) . ?
Mo6 O21 1.839(5) . ?
Mo7 O18 2.020(5) . ?
Mo7 O21 2.199(5) . ?
Mo7 O22 1.753(5) . ?
Mo7 O23 1.761(5) . ?
Mo7 O24 1.798(5) . ?
Mo7 O26 2.219(5) . ?
Mo8 O14 1.750(5) . ?
Mo8 O16 1.975(5) . ?
Mo8 O17 2.198(5) . ?
Mo8 O18 2.241(5) . ?
Mo8 O25 1.755(5) . ?
Mo8 O26 1.816(5) . ?
O1 Ag7A 2.322(15) 2_565 ?
O1 Ag26 2.396(5) 2_565 ?
O2 Ag10 2.336(6) 2_565 ?
O3 Ag28 2.321(5) 2_565 ?
O4 Ag30 2.550(5) 2_565 ?
O5 Ag13 2.378(5) 2_565 ?
O6 Ag14 2.406(5) 2_565 ?
O6 Ag16 2.466(5) 2_565 ?
O7 Ag17 2.547(5) 2_565 ?
O7 Ag19 2.415(6) 2_565 ?
O9 Ag21 2.462(5) 2_565 ?
O9 Ag22 2.577(5) 2_565 ?
O10 Ag11 2.417(5) 2_565 ?
O10 Ag24 2.292(6) 2_565 ?
O12 Ag5A 2.340(10) 2_565 ?
O14 Ag6 2.541(6) 2_565 ?
O15 Ag4 2.459(6) 2_565 ?
O18 Ag13 2.337(5) 2_565 ?
O19 Ag2 2.393(6) 2_565 ?
O19 Ag14 2.362(5) 2_565 ?
O20 Ag15 2.573(5) 2_565 ?
O23 Ag12 2.317(6) 2_565 ?
O25 Ag9 2.497(5) 2_565 ?
O25 Ag11 2.364(5) 2_565 ?
O28 Ag2A 2.474(11) 2_565 ?
O28 Ag14 2.328(5) 2_565 ?
O28 Ag16 2.448(6) 2_565 ?
O29 Ag28 2.510(6) 2_565 ?
O29 Ag29 2.390(6) 2_565 ?
O30 Ag31 2.477(6) 2_565 ?
O31 S1 1.460(16) . ?
O31A S1A 1.40(3) . ?
O32 S1A 1.41(3) . ?
O33 S1A 1.47(2) . ?
O34 S21 1.411(9) . ?
O35 S21 1.427(9) . ?
O36 S21 1.424(8) . ?
O37 S20 1.437(10) . ?
O38 S20 1.441(9) . ?
O39 S20 1.436(8) . ?
O40 S22 1.440(7) . ?
O41 S22 1.435(8) . ?
O42 S22 1.414(9) . ?
O43 S25 1.445(8) . ?
O44 S25 1.419(10) . ?
O45 S25 1.425(9) . ?
O46 S24 1.423(11) . ?
O47 S24 1.516(9) . ?
O48 S24 1.270(12) . ?
O49 S26 1.198(15) . ?
O50 S26 1.481(15) . ?
O51 Ag1 2.534(17) 2_565 ?
O51 S26 1.542(14) . ?
O52 S23 1.500(18) . ?
O53 S23 1.524(17) . ?
O54 S23 1.317(16) . ?
S1 O32A 1.48(3) . ?
S1 O33A 1.44(2) . ?
S2 Ag3 2.468(4) 2_565 ?
S2 Ag3A 2.395(10) 2_565 ?
S3 Ag2 2.355(2) 2_565 ?
S3 Ag2A 2.523(7) 2_565 ?
S7 Ag34 2.415(3) 2_565 ?
S8 Ag31 2.684(3) 2_565 ?
S8 Ag33 2.426(2) 2_565 ?
S11 Ag40 2.486(2) 2_565 ?
S17 Ag1 2.499(3) 2_565 ?
S17 Ag1A 2.495(6) 2_565 ?

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
Ag15 Ag1 Ag36 123.5(4) 2_565 . ?
O51 Ag1 Ag15 82.5(4) 2_565 2_565 ?
O51 Ag1 Ag36 143.0(3) 2_565 . ?
S10 Ag1 Ag15 114.99(17) . 2_565 ?
S10 Ag1 Ag36 46.29(19) . . ?
S10 Ag1 O51 101.1(4) . 2_565 ?
S10 Ag1 S17 157.1(5) . 2_565 ?
S17 Ag1 Ag15 50.70(7) 2_565 2_565 ?
S17 Ag1 Ag36 121.8(4) 2_565 . ?
S17 Ag1 O51 94.8(5) 2_565 2_565 ?
Ag36 Ag1A Ag15 137.5(7) . 2_565 ?
O20 Ag1A Ag15 52.46(18) . 2_565 ?
O20 Ag1A Ag36 85.4(6) . . ?
S10 Ag1A Ag15 113.5(6) . 2_565 ?
S10 Ag1A Ag36 52.9(3) . . ?
S10 Ag1A O20 77.2(2) . . ?
S10 Ag1A S17 162.0(11) . 2_565 ?
S17 Ag1A Ag15 49.61(16) 2_565 2_565 ?
S17 Ag1A Ag36 142.2(14) 2_565 . ?
S17 Ag1A O20 92.7(4) 2_565 . ?
Ag3 Ag2 Ag14 142.00(9) . . ?
O19 Ag2 Ag3 101.74(16) 2_565 . ?
O19 Ag2 Ag14 44.84(13) 2_565 . ?
O19 Ag2 S16 86.12(14) 2_565 . ?
S3 Ag2 Ag3 110.05(10) 2_565 . ?
S3 Ag2 Ag14 104.42(6) 2_565 . ?
S3 Ag2 O19 120.92(14) 2_565 2_565 ?
S3 Ag2 S16 152.48(8) 2_565 . ?
S16 Ag2 Ag3 54.39(9) . . ?
S16 Ag2 Ag14 98.67(6) . . ?
Ag14 Ag2A Ag24 87.9(2) . 2_565 ?
O28 Ag2A Ag14 52.0(2) 2_565 . ?
O28 Ag2A Ag24 101.2(4) 2_565 2_565 ?
O28 Ag2A S3 147.9(5) 2_565 2_565 ?
O28 Ag2A S16 85.2(2) 2_565 . ?
S3 Ag2A Ag14 117.5(2) 2_565 . ?
S3 Ag2A Ag24 46.81(13) 2_565 2_565 ?
S3 Ag2A S16 125.2(4) 2_565 . ?
S16 Ag2A Ag14 106.7(2) . . ?
S16 Ag2A Ag24 164.8(3) . 2_565 ?
Ag2 Ag3 Ag15 85.23(10) . . ?
Ag2 Ag3 Ag38 98.45(11) . 2_565 ?
Ag38 Ag3 Ag15 81.23(10) 2_565 . ?
O55 Ag3 Ag2 105.5(3) . . ?
O55 Ag3 Ag15 125.4(3) . . ?
O55 Ag3 Ag38 145.0(3) . 2_565 ?
O55 Ag3 S2 104.5(3) . 2_565 ?
O55 Ag3 S16 100.3(3) . . ?
S2 Ag3 Ag2 89.22(11) 2_565 . ?
S2 Ag3 Ag15 129.48(17) 2_565 . ?
S2 Ag3 Ag38 50.04(10) 2_565 2_565 ?
S2 Ag3 S16 138.54(15) 2_565 . ?
S16 Ag3 Ag2 52.01(8) . . ?
S16 Ag3 Ag15 45.58(8) . . ?
S16 Ag3 Ag38 114.59(16) . 2_565 ?
Ag38 Ag3A Ag15 83.3(2) 2_565 . ?
S2 Ag3A Ag15 134.9(4) 2_565 . ?
S2 Ag3A Ag38 51.7(2) 2_565 2_565 ?
S16 Ag3A Ag15 46.52(16) . . ?
S16 Ag3A Ag38 123.4(9) . 2_565 ?
S16 Ag3A S2 158(3) . 2_565 ?
O15 Ag4 Ag19 77.19(15) 2_565 . ?
S6 Ag4 Ag19 53.84(6) . . ?
S6 Ag4 O15 80.23(16) . 2_565 ?
S17 Ag4 Ag19 114.49(7) . . ?
S17 Ag4 O15 95.59(18) . 2_565 ?
S17 Ag4 S6 168.13(9) . . ?
S6 Ag4A Ag19 53.3(2) . . ?
S6 Ag4A S17 147.8(9) . . ?
S17 Ag4A Ag19 108.6(4) . . ?
Ag8 Ag5 Ag20 121.71(6) . . ?
O53 Ag5 Ag8 129.7(4) . . ?
O53 Ag5 Ag20 97.0(4) . . ?
O57 Ag5 Ag8 94.4(5) . . ?
O57 Ag5 Ag20 138.8(5) . . ?
O57 Ag5 O53 69.4(6) . . ?
O57 Ag5 S7 100.7(5) . . ?
S5 Ag5 Ag8 118.08(8) . . ?
S5 Ag5 Ag20 47.15(7) . . ?
S5 Ag5 O53 111.7(4) . . ?
S5 Ag5 O57 100.4(5) . . ?
S5 Ag5 S7 155.55(11) . . ?
S7 Ag5 Ag8 47.98(6) . . ?
S7 Ag5 Ag20 117.81(9) . . ?
S7 Ag5 O53 87.3(4) . . ?
Ag20 Ag5A Ag8 139.3(3) . . ?
Ag34 Ag5A Ag8 93.1(3) 2_565 . ?
Ag34 Ag5A Ag20 96.4(4) 2_565 . ?
O12 Ag5A Ag8 54.2(2) 2_565 . ?
O12 Ag5A Ag20 85.2(3) 2_565 . ?
O12 Ag5A Ag34 105.8(5) 2_565 2_565 ?
O12 Ag5A S5 76.2(3) 2_565 . ?
S5 Ag5A Ag8 112.0(3) . . ?
S5 Ag5A Ag20 51.67(17) . . ?
S5 Ag5A Ag34 148.0(5) . 2_565 ?
S7 Ag5A Ag8 49.08(19) . . ?
S7 Ag5A Ag20 151.1(6) . . ?
S7 Ag5A Ag34 55.3(2) . 2_565 ?
S7 Ag5A O12 96.5(4) . 2_565 ?
S7 Ag5A S5 156.5(6) . . ?
Ag8 Ag6 Ag34 90.53(4) . 2_565 ?
Ag9 Ag6 Ag8 58.99(3) . . ?
Ag9 Ag6 Ag34 132.93(5) . 2_565 ?
O14 Ag6 Ag8 104.52(13) 2_565 . ?
O14 Ag6 Ag9 86.78(13) 2_565 . ?
O14 Ag6 Ag34 65.72(14) 2_565 2_565 ?
S7 Ag6 Ag8 52.65(7) . . ?
S7 Ag6 Ag9 111.48(7) . . ?
S7 Ag6 Ag34 48.61(7) . 2_565 ?
S7 Ag6 O14 105.02(16) . 2_565 ?
S7 Ag6 S8 163.69(10) . . ?
S8 Ag6 Ag8 112.46(7) . . ?
S8 Ag6 Ag9 54.82(6) . . ?
S8 Ag6 Ag34 146.31(7) . 2_565 ?
S8 Ag6 O14 84.24(14) . 2_565 ?
Ag9 Ag6A Ag8 57.05(11) . . ?
S7 Ag6A Ag8 48.30(13) . . ?
S7 Ag6A Ag9 102.1(2) . . ?
S8 Ag6A Ag8 113.1(2) . . ?
S8 Ag6A Ag9 56.30(13) . . ?
S8 Ag6A S7 148.8(4) . . ?
O56 Ag7 Ag27 103.1(4) . . ?
O56 Ag7 S14 93.3(3) . . ?
O56 Ag7 S19 116.7(3) . . ?
S14 Ag7 Ag27 98.92(12) . . ?
S19 Ag7 Ag27 52.59(7) . . ?
S19 Ag7 S14 141.10(19) . . ?
Ag27 Ag7A Ag26 104.8(4) . . ?
Ag27 Ag7A Ag28 62.6(4) . . ?
Ag27 Ag7A Ag30 151.3(7) . . ?
Ag28 Ag7A Ag26 124.8(7) . . ?
Ag28 Ag7A Ag30 88.7(4) . . ?
Ag30 Ag7A Ag26 92.5(2) . . ?
O1 Ag7A Ag26 45.3(2) 2_565 . ?
O1 Ag7A Ag27 122.6(8) 2_565 . ?
O1 Ag7A Ag28 93.7(7) 2_565 . ?
O1 Ag7A Ag30 56.6(2) 2_565 . ?
O1 Ag7A S14 93.2(5) 2_565 . ?
O1 Ag7A S19 89.1(5) 2_565 . ?
S14 Ag7A Ag26 136.9(4) . . ?
S14 Ag7A Ag27 109.4(5) . . ?
S14 Ag7A Ag28 55.7(3) . . ?
S14 Ag7A Ag30 46.34(17) . . ?
S14 Ag7A S19 164.0(9) . . ?
S19 Ag7A Ag26 50.92(19) . . ?
S19 Ag7A Ag27 56.8(2) . . ?
S19 Ag7A Ag28 108.3(7) . . ?
S19 Ag7A Ag30 143.2(4) . . ?
Ag6 Ag8 Ag5 98.11(4) . . ?
Ag6 Ag8 Ag23 164.34(4) . . ?
Ag6A Ag8 Ag5A 98.0(2) . . ?
Ag9 Ag8 Ag5 146.21(5) . . ?
Ag9 Ag8 Ag5A 130.8(2) . . ?
Ag9 Ag8 Ag6 60.08(3) . . ?
Ag9 Ag8 Ag6A 58.11(11) . . ?
Ag9 Ag8 Ag23 104.38(3) . . ?
Ag23 Ag8 Ag5 94.75(4) . . ?
Ag23 Ag8 Ag5A 104.55(19) . . ?
Ag23 Ag8 Ag6A 157.44(15) . . ?
S7 Ag8 Ag5 50.89(8) . . ?
S7 Ag8 Ag5A 45.63(16) . . ?
S7 Ag8 Ag6 51.80(8) . . ?
S7 Ag8 Ag6A 57.54(15) . . ?
S7 Ag8 Ag9 111.73(8) . . ?
S7 Ag8 Ag23 143.37(8) . . ?
S9 Ag8 Ag5 144.33(7) . . ?
S9 Ag8 Ag5A 147.07(15) . . ?
S9 Ag8 Ag6 113.30(7) . . ?
S9 Ag8 Ag6A 106.87(14) . . ?
S9 Ag8 Ag9 54.12(6) . . ?
S9 Ag8 Ag23 51.92(6) . . ?
S9 Ag8 S7 164.41(10) . . ?
Ag6 Ag9 Ag11 131.47(4) . . ?
Ag6 Ag9 Ag31 96.02(3) . 2_565 ?
Ag6A Ag9 Ag11 147.1(2) . . ?
Ag6A Ag9 Ag31 98.44(12) . 2_565 ?
Ag8 Ag9 Ag6 60.93(3) . . ?
Ag8 Ag9 Ag6A 64.84(13) . . ?
Ag8 Ag9 Ag11 110.56(3) . . ?
Ag8 Ag9 Ag31 150.59(3) . 2_565 ?
Ag11 Ag9 Ag31 69.66(2) . 2_565 ?
O25 Ag9 Ag6 88.47(12) 2_565 . ?
O25 Ag9 Ag6A 102.2(2) 2_565 . ?
O25 Ag9 Ag8 108.03(13) 2_565 . ?
O25 Ag9 Ag11 46.36(12) 2_565 . ?
O25 Ag9 Ag31 49.50(12) 2_565 2_565 ?
O25 Ag9 S8 83.16(13) 2_565 . ?
O30 Ag9 Ag6 144.44(15) . . ?
O30 Ag9 Ag6A 142.91(19) . . ?
O30 Ag9 Ag8 152.23(14) . . ?
O30 Ag9 Ag11 47.57(12) . . ?
O30 Ag9 Ag31 48.51(14) . 2_565 ?
O30 Ag9 O25 70.71(18) . 2_565 ?
O30 Ag9 S8 94.58(15) . . ?
O30 Ag9 S9 102.31(15) . . ?
S8 Ag9 Ag6 53.42(6) . . ?
S8 Ag9 Ag6A 48.42(14) . . ?
S8 Ag9 Ag8 112.99(6) . . ?
S8 Ag9 Ag11 121.12(6) . . ?
S8 Ag9 Ag31 52.95(6) . 2_565 ?
S9 Ag9 Ag6 113.11(6) . . ?
S9 Ag9 Ag6A 112.05(13) . . ?
S9 Ag9 Ag8 53.08(6) . . ?
S9 Ag9 Ag11 83.76(5) . . ?
S9 Ag9 Ag31 149.50(6) . 2_565 ?
S9 Ag9 O25 119.65(13) . 2_565 ?
S9 Ag9 S8 155.03(8) . . ?
Ag11 Ag10 Ag12 121.27(3) . 2_565 ?
Ag11 Ag10 Ag13 62.92(2) . . ?
Ag11 Ag10 Ag13 99.91(2) . 2_565 ?
Ag11 Ag10 Ag24 63.37(2) . . ?
Ag12 Ag10 Ag13 59.931(19) 2_565 2_565 ?
Ag12 Ag10 Ag24 143.71(3) 2_565 . ?
Ag13 Ag10 Ag12 58.688(19) . 2_565 ?
Ag13 Ag10 Ag13 74.94(2) . 2_565 ?
Ag13 Ag10 Ag24 155.22(3) 2_565 . ?
Ag13 Ag10 Ag24 109.20(2) . . ?
Ag14 Ag10 Ag11 64.83(2) 2_565 . ?
Ag14 Ag10 Ag12 121.84(3) 2_565 2_565 ?
Ag14 Ag10 Ag13 102.05(2) 2_565 . ?
Ag14 Ag10 Ag13 62.10(2) 2_565 2_565 ?
Ag14 Ag10 Ag24 93.41(2) 2_565 . ?
O2 Ag10 Ag11 107.03(14) 2_565 . ?
O2 Ag10 Ag12 82.09(14) 2_565 2_565 ?
O2 Ag10 Ag13 141.18(14) 2_565 2_565 ?
O2 Ag10 Ag13 92.89(13) 2_565 . ?
O2 Ag10 Ag14 155.90(14) 2_565 2_565 ?
O2 Ag10 Ag24 63.59(14) 2_565 . ?
O22 Ag10 Ag11 156.08(14) . . ?
O22 Ag10 Ag12 82.32(14) . 2_565 ?
O22 Ag10 Ag13 140.93(14) . . ?
O22 Ag10 Ag13 88.43(14) . 2_565 ?
O22 Ag10 Ag14 100.68(14) . 2_565 ?
O22 Ag10 Ag24 100.66(14) . . ?
O22 Ag10 O2 78.17(19) . 2_565 ?
Ag10 Ag11 Ag9 145.06(3) . . ?
Ag10 Ag11 Ag13 60.931(19) . . ?
Ag10 Ag11 Ag14 57.250(19) . 2_565 ?
Ag10 Ag11 Ag24 63.91(2) . . ?
Ag12 Ag11 Ag9 133.73(3) . . ?
Ag12 Ag11 Ag10 80.92(2) . . ?
Ag12 Ag11 Ag13 61.91(2) . . ?
Ag12 Ag11 Ag14 57.58(2) . 2_565 ?
Ag12 Ag11 Ag24 141.97(3) . . ?
Ag13 Ag11 Ag9 132.53(2) . . ?
Ag13 Ag11 Ag24 108.17(2) . . ?
Ag14 Ag11 Ag9 131.10(2) 2_565 . ?
Ag14 Ag11 Ag13 95.98(2) 2_565 . ?
Ag14 Ag11 Ag24 89.75(2) 2_565 . ?
Ag24 Ag11 Ag9 81.47(2) . . ?
O10 Ag11 Ag9 73.38(13) 2_565 . ?
O10 Ag11 Ag10 79.56(13) 2_565 . ?
O10 Ag11 Ag12 141.80(13) 2_565 . ?
O10 Ag11 Ag13 79.91(13) 2_565 . ?
O10 Ag11 Ag14 131.06(14) 2_565 2_565 ?
O10 Ag11 Ag24 47.76(13) 2_565 . ?
O25 Ag11 Ag9 49.85(13) 2_565 . ?
O25 Ag11 Ag10 144.90(12) 2_565 . ?
O25 Ag11 Ag12 98.57(14) 2_565 . ?
O25 Ag11 Ag13 87.63(13) 2_565 . ?
O25 Ag11 Ag14 149.06(14) 2_565 2_565 ?
O25 Ag11 Ag24 118.34(14) 2_565 . ?
O25 Ag11 O10 79.85(19) 2_565 2_565 ?
O25 Ag11 O30 73.49(18) 2_565 . ?
O30 Ag11 Ag9 48.33(14) . . ?
O30 Ag11 Ag10 141.61(14) . . ?
O30 Ag11 Ag12 95.31(15) . . ?
O30 Ag11 Ag13 148.27(15) . . ?
O30 Ag11 Ag14 88.37(14) . 2_565 ?
O30 Ag11 Ag24 103.25(15) . . ?
O30 Ag11 O10 120.01(19) . 2_565 ?
Ag10 Ag12 Ag13 60.460(19) 2_565 . ?
Ag11 Ag12 Ag10 123.44(3) . 2_565 ?
Ag11 Ag12 Ag13 103.18(3) . 2_565 ?
Ag11 Ag12 Ag13 63.07(2) . . ?
Ag11 Ag12 Ag14 65.41(2) . 2_565 ?
Ag13 Ag12 Ag10 60.415(19) 2_565 2_565 ?
Ag13 Ag12 Ag13 75.94(2) 2_565 . ?
Ag14 Ag12 Ag10 123.51(3) 2_565 2_565 ?
Ag14 Ag12 Ag13 63.34(2) 2_565 2_565 ?
Ag14 Ag12 Ag13 101.52(2) 2_565 . ?
O3 Ag12 Ag10 95.03(14) . 2_565 ?
O3 Ag12 Ag11 141.37(14) . . ?
O3 Ag12 Ag13 154.52(14) . . ?
O3 Ag12 Ag13 98.84(13) . 2_565 ?
O3 Ag12 Ag14 98.04(14) . 2_565 ?
O3 Ag12 O23 84.28(19) . 2_565 ?
O23 Ag12 Ag10 94.56(14) 2_565 2_565 ?
O23 Ag12 Ag11 88.75(14) 2_565 . ?
O23 Ag12 Ag13 90.50(13) 2_565 . ?
O23 Ag12 Ag13 154.90(14) 2_565 2_565 ?
O23 Ag12 Ag14 141.23(14) 2_565 2_565 ?
Ag10 Ag13 Ag10 105.07(2) . 2_565 ?
Ag10 Ag13 Ag11 114.56(2) 2_565 . ?
Ag10 Ag13 Ag11 56.147(18) . . ?
Ag10 Ag13 Ag12 75.12(2) . . ?
Ag10 Ag13 Ag14 117.08(2) . . ?
Ag12 Ag13 Ag10 60.899(19) 2_565 . ?
Ag12 Ag13 Ag10 75.65(2) 2_565 2_565 ?
Ag12 Ag13 Ag10 59.608(19) . 2_565 ?
Ag12 Ag13 Ag11 116.74(2) 2_565 . ?
Ag12 Ag13 Ag11 55.022(19) . . ?
Ag12 Ag13 Ag12 104.06(2) 2_565 . ?
Ag12 Ag13 Ag14 114.97(2) . . ?
Ag12 Ag13 Ag14 56.389(19) 2_565 . ?
Ag14 Ag13 Ag10 55.535(19) . 2_565 ?
Ag14 Ag13 Ag11 167.91(3) . . ?
O5 Ag13 Ag10 145.67(12) 2_565 2_565 ?
O5 Ag13 Ag10 86.51(12) 2_565 . ?
O5 Ag13 Ag11 98.84(12) 2_565 . ?
O5 Ag13 Ag12 82.63(12) 2_565 2_565 ?
O5 Ag13 Ag12 153.47(12) 2_565 . ?
O5 Ag13 Ag14 90.30(12) 2_565 . ?
O18 Ag13 Ag10 146.58(12) 2_565 . ?
O18 Ag13 Ag10 89.28(12) 2_565 2_565 ?
O18 Ag13 Ag11 90.46(12) 2_565 . ?
O18 Ag13 Ag12 87.24(12) 2_565 . ?
O18 Ag13 Ag12 152.40(12) 2_565 2_565 ?
O18 Ag13 Ag14 96.01(12) 2_565 . ?
O18 Ag13 O5 98.53(17) 2_565 2_565 ?
Ag2 Ag14 Ag16 67.04(2) . . ?
Ag2A Ag14 Ag11 93.08(19) . 2_565 ?
Ag2A Ag14 Ag13 131.78(17) . . ?
Ag2A Ag14 Ag16 67.46(13) . . ?
Ag10 Ag14 Ag2 81.16(2) 2_565 . ?
Ag10 Ag14 Ag2A 83.59(12) 2_565 . ?
Ag10 Ag14 Ag11 57.92(2) 2_565 2_565 ?
Ag10 Ag14 Ag13 62.36(2) 2_565 . ?
Ag10 Ag14 Ag16 147.56(3) 2_565 . ?
Ag11 Ag14 Ag2 104.05(3) 2_565 . ?
Ag11 Ag14 Ag16 134.68(2) 2_565 . ?
Ag12 Ag14 Ag2 159.23(3) 2_565 . ?
Ag12 Ag14 Ag2A 150.08(19) 2_565 . ?
Ag12 Ag14 Ag10 80.98(2) 2_565 2_565 ?
Ag12 Ag14 Ag11 57.02(2) 2_565 2_565 ?
Ag12 Ag14 Ag13 60.28(2) 2_565 . ?
Ag12 Ag14 Ag16 131.46(3) 2_565 . ?
Ag13 Ag14 Ag2 119.10(3) . . ?
Ag13 Ag14 Ag11 95.85(2) . 2_565 ?
Ag13 Ag14 Ag16 128.06(2) . . ?
O6 Ag14 Ag2 108.71(13) 2_565 . ?
O6 Ag14 Ag2A 113.53(19) 2_565 . ?
O6 Ag14 Ag10 149.84(12) 2_565 2_565 ?
O6 Ag14 Ag11 139.47(13) 2_565 2_565 ?
O6 Ag14 Ag12 92.06(13) 2_565 2_565 ?
O6 Ag14 Ag13 88.64(12) 2_565 . ?
O6 Ag14 Ag16 47.26(12) 2_565 . ?
O19 Ag14 Ag2 45.58(14) 2_565 . ?
O19 Ag14 Ag2A 60.4(2) 2_565 . ?
O19 Ag14 Ag10 87.88(13) 2_565 2_565 ?
O19 Ag14 Ag11 140.00(14) 2_565 2_565 ?
O19 Ag14 Ag12 143.69(13) 2_565 2_565 ?
O19 Ag14 Ag13 83.92(13) 2_565 . ?
O19 Ag14 Ag16 65.59(13) 2_565 . ?
O19 Ag14 O6 80.51(19) 2_565 2_565 ?
O28 Ag14 Ag2 68.48(15) 2_565 . ?
O28 Ag14 Ag2A 56.8(2) 2_565 . ?
O28 Ag14 Ag10 126.95(16) 2_565 2_565 ?
O28 Ag14 Ag11 87.93(14) 2_565 2_565 ?
O28 Ag14 Ag12 115.25(15) 2_565 2_565 ?
O28 Ag14 Ag13 170.09(16) 2_565 . ?
O28 Ag14 Ag16 46.90(14) 2_565 . ?
O28 Ag14 O6 82.58(19) 2_565 2_565 ?
O28 Ag14 O19 99.08(19) 2_565 2_565 ?
Ag1 Ag15 Ag3 99.21(10) 2_565 . ?
Ag1 Ag15 Ag16 141.8(2) 2_565 . ?
Ag1A Ag15 Ag3A 104.1(4) 2_565 . ?
Ag16 Ag15 Ag1A 131.0(6) . 2_565 ?
Ag16 Ag15 Ag3 97.94(6) . . ?
Ag16 Ag15 Ag3A 92.5(8) . . ?
Ag17 Ag15 Ag1 100.77(11) . 2_565 ?
Ag17 Ag15 Ag1A 94.4(5) . 2_565 ?
Ag17 Ag15 Ag3 158.32(6) . . ?
Ag17 Ag15 Ag3A 153.4(8) . . ?
Ag17 Ag15 Ag16 60.84(2) . . ?
O20 Ag15 Ag1 58.9(2) 2_565 2_565 ?
O20 Ag15 Ag1A 51.4(4) 2_565 2_565 ?
O20 Ag15 Ag3 80.59(15) 2_565 . ?
O20 Ag15 Ag3A 75.5(7) 2_565 . ?
O20 Ag15 Ag16 90.97(12) 2_565 . ?
O20 Ag15 Ag17 102.75(13) 2_565 . ?
S16 Ag15 Ag1 144.96(8) . 2_565 ?
S16 Ag15 Ag1A 144.61(13) . 2_565 ?
S16 Ag15 Ag3 48.70(8) . . ?
S16 Ag15 Ag3A 45.6(4) . . ?
S16 Ag15 Ag16 52.02(5) . . ?
S16 Ag15 Ag17 109.75(6) . . ?
S16 Ag15 O20 96.93(14) . 2_565 ?
S16 Ag15 S17 162.34(8) . . ?
S17 Ag15 Ag1 52.36(7) . 2_565 ?
S17 Ag15 Ag1A 51.09(19) . 2_565 ?
S17 Ag15 Ag3 148.12(8) . . ?
S17 Ag15 Ag3A 152.0(5) . . ?
S17 Ag15 Ag16 113.46(6) . . ?
S17 Ag15 Ag17 53.55(5) . . ?
S17 Ag15 O20 93.03(14) . 2_565 ?
Ag15 Ag16 Ag14 118.62(2) . . ?
Ag17 Ag16 Ag14 135.42(3) . . ?
Ag17 Ag16 Ag15 56.61(2) . . ?
O6 Ag16 Ag14 45.77(12) 2_565 . ?
O6 Ag16 Ag15 116.55(12) 2_565 . ?
O6 Ag16 Ag17 93.55(12) 2_565 . ?
O6 Ag16 S15 82.57(13) 2_565 . ?
O6 Ag16 S16 133.94(13) 2_565 . ?
O28 Ag16 Ag14 43.96(13) 2_565 . ?
O28 Ag16 Ag15 138.16(15) 2_565 . ?
O28 Ag16 Ag17 165.23(15) 2_565 . ?
O28 Ag16 O6 78.95(18) 2_565 2_565 ?
O28 Ag16 S15 114.27(15) 2_565 . ?
O28 Ag16 S16 91.07(15) 2_565 . ?
S15 Ag16 Ag14 121.74(5) . . ?
S15 Ag16 Ag15 106.45(5) . . ?
S15 Ag16 Ag17 51.62(5) . . ?
S16 Ag16 Ag14 97.64(5) . . ?
S16 Ag16 Ag15 49.33(5) . . ?
S16 Ag16 Ag17 103.18(5) . . ?
S16 Ag16 S15 140.49(7) . . ?
Ag15 Ag17 Ag16 62.55(2) . . ?
Ag15 Ag17 Ag18 155.33(3) . . ?
Ag16 Ag17 Ag18 94.67(2) . . ?
O7 Ag17 Ag15 105.23(12) 2_565 . ?
O7 Ag17 Ag16 79.34(12) 2_565 . ?
O7 Ag17 Ag18 58.35(12) 2_565 . ?
S15 Ag17 Ag15 113.58(6) . . ?
S15 Ag17 Ag16 53.06(5) . . ?
S15 Ag17 Ag18 48.75(6) . . ?
S15 Ag17 O7 78.69(13) . 2_565 ?
S17 Ag17 Ag15 53.02(6) . . ?
S17 Ag17 Ag16 114.61(6) . . ?
S17 Ag17 Ag18 144.68(6) . . ?
S17 Ag17 O7 106.26(13) . 2_565 ?
S17 Ag17 S15 166.32(8) . . ?
Ag19 Ag18 Ag17 69.74(2) . . ?
Ag29 Ag18 Ag17 94.87(3) . . ?
Ag29 Ag18 Ag19 121.11(3) . . ?
Ag30 Ag18 Ag17 138.87(3) . . ?
Ag30 Ag18 Ag19 93.71(3) . . ?
Ag30 Ag18 Ag29 60.94(2) . . ?
O43 Ag18 Ag17 86.72(18) . . ?
O43 Ag18 Ag19 89.63(19) . . ?
O43 Ag18 Ag29 147.8(2) . . ?
O43 Ag18 Ag30 131.96(19) . . ?
S15 Ag18 Ag17 49.11(5) . . ?
S15 Ag18 Ag19 113.53(5) . . ?
S15 Ag18 Ag29 53.62(5) . . ?
S15 Ag18 Ag30 114.26(5) . . ?
S15 Ag18 O43 107.9(2) . . ?
S18 Ag18 Ag17 118.76(6) . . ?
S18 Ag18 Ag19 49.36(6) . . ?
S18 Ag18 Ag29 109.51(6) . . ?
S18 Ag18 Ag30 53.00(6) . . ?
S18 Ag18 O43 97.5(2) . . ?
S18 Ag18 S15 149.78(7) . . ?
Ag4 Ag19 Ag18 115.45(4) . . ?
Ag4 Ag19 Ag20 94.78(4) . . ?
Ag4 Ag19 Ag21 145.40(6) . . ?
Ag4A Ag19 Ag18 113.4(2) . . ?
Ag4A Ag19 Ag21 155.4(4) . . ?
Ag18 Ag19 Ag21 86.16(2) . . ?
Ag20 Ag19 Ag4A 100.0(3) . . ?
Ag20 Ag19 Ag18 144.29(4) . . ?
Ag20 Ag19 Ag21 58.40(3) . . ?
O7 Ag19 Ag4 84.59(14) 2_565 . ?
O7 Ag19 Ag4A 92.9(3) 2_565 . ?
O7 Ag19 Ag18 59.38(12) 2_565 . ?
O7 Ag19 Ag20 108.45(12) 2_565 . ?
O7 Ag19 Ag21 84.27(13) 2_565 . ?
O7 Ag19 S6 123.71(14) 2_565 . ?
O7 Ag19 S18 90.05(14) 2_565 . ?
S6 Ag19 Ag4 52.26(6) . . ?
S6 Ag19 Ag4A 52.0(2) . . ?
S6 Ag19 Ag18 163.28(6) . . ?
S6 Ag19 Ag20 52.40(6) . . ?
S6 Ag19 Ag21 110.22(6) . . ?
S18 Ag19 Ag4 162.52(7) . . ?
S18 Ag19 Ag4A 154.9(4) . . ?
S18 Ag19 Ag18 48.39(6) . . ?
S18 Ag19 Ag20 102.70(6) . . ?
S18 Ag19 Ag21 49.73(5) . . ?
S18 Ag19 S6 141.37(8) . . ?
Ag5 Ag20 Ag40 102.25(5) . . ?
Ag5A Ag20 Ag19 160.63(19) . . ?
Ag5A Ag20 Ag21 102.3(2) . . ?
Ag5A Ag20 Ag40 92.2(2) . . ?
Ag19 Ag20 Ag5 162.02(5) . . ?
Ag19 Ag20 Ag21 66.08(3) . . ?
Ag19 Ag20 Ag40 93.73(3) . . ?
Ag21 Ag20 Ag5 96.21(4) . . ?
Ag21 Ag20 Ag40 154.18(4) . . ?
S5 Ag20 Ag5 47.71(7) . . ?
S5 Ag20 Ag5A 60.0(3) . . ?
S5 Ag20 Ag19 117.83(8) . . ?
S5 Ag20 Ag21 56.14(7) . . ?
S5 Ag20 Ag40 147.93(8) . . ?
S5 Ag20 S6 151.57(9) . . ?
S6 Ag20 Ag5 144.72(7) . . ?
S6 Ag20 Ag5A 138.4(2) . . ?
S6 Ag20 Ag19 53.26(6) . . ?
S6 Ag20 Ag21 118.66(7) . . ?
S6 Ag20 Ag40 47.30(6) . . ?
Ag20 Ag21 Ag19 55.52(3) . . ?
Ag20 Ag21 Ag30 143.00(3) . . ?
Ag22 Ag21 Ag19 148.87(3) . . ?
Ag22 Ag21 Ag20 93.37(3) . . ?
Ag22 Ag21 Ag30 123.60(3) . . ?
Ag30 Ag21 Ag19 87.48(2) . . ?
O9 Ag21 Ag19 125.52(13) 2_565 . ?
O9 Ag21 Ag20 103.21(13) 2_565 . ?
O9 Ag21 Ag22 54.72(12) 2_565 . ?
O9 Ag21 Ag30 98.03(13) 2_565 . ?
O9 Ag21 S5 91.13(14) 2_565 . ?
O9 Ag21 S18 140.57(14) 2_565 . ?
S5 Ag21 Ag19 101.48(6) . . ?
S5 Ag21 Ag20 49.15(6) . . ?
S5 Ag21 Ag22 49.91(6) . . ?
S5 Ag21 Ag30 160.18(6) . . ?
S18 Ag21 Ag19 47.98(5) . . ?
S18 Ag21 Ag20 98.48(6) . . ?
S18 Ag21 Ag22 155.63(6) . . ?
S18 Ag21 Ag30 48.42(5) . . ?
S18 Ag21 S5 127.56(8) . . ?
Ag21 Ag22 Ag23 145.12(3) . . ?
O9 Ag22 Ag21 51.22(12) 2_565 . ?
O9 Ag22 Ag23 95.02(12) 2_565 . ?
S4 Ag22 Ag21 132.83(7) . . ?
S4 Ag22 Ag23 49.30(6) . . ?
S4 Ag22 O9 98.02(14) . 2_565 ?
S4 Ag22 S5 168.03(9) . . ?
S5 Ag22 Ag21 56.93(6) . . ?
S5 Ag22 Ag23 128.74(7) . . ?
S5 Ag22 O9 93.90(13) . 2_565 ?
Ag8 Ag23 Ag22 89.37(3) . . ?
Ag24 Ag23 Ag8 91.03(3) . . ?
Ag24 Ag23 Ag22 100.53(3) . . ?
O32 Ag23 Ag8 120.5(5) . . ?
O32 Ag23 Ag22 134.2(6) . . ?
O32 Ag23 Ag24 111.7(6) . . ?
O57A Ag23 Ag8 56.7(4) . . ?
O57A Ag23 Ag22 81.7(5) . . ?
O57A Ag23 Ag24 147.7(4) . . ?
O57A Ag23 O32 87.2(8) . . ?
S4 Ag23 Ag8 137.33(6) . . ?
S4 Ag23 Ag22 48.41(6) . . ?
S4 Ag23 Ag24 91.26(6) . . ?
S4 Ag23 O32 97.9(5) . . ?
S4 Ag23 O57A 112.6(4) . . ?
S4 Ag23 S9 145.85(8) . . ?
S4 Ag23 O32A 104.7(5) . . ?
S9 Ag23 Ag8 50.12(5) . . ?
S9 Ag23 Ag22 125.96(6) . . ?
S9 Ag23 Ag24 54.96(5) . . ?
S9 Ag23 O32 99.4(6) . . ?
S9 Ag23 O57A 97.5(3) . . ?
S9 Ag23 O32A 94.5(6) . . ?
O32A Ag23 Ag8 113.4(5) . . ?
O32A Ag23 Ag22 138.0(6) . . ?
O32A Ag23 Ag24 113.1(6) . . ?
Ag10 Ag24 Ag2A 70.84(12) . 2_565 ?
Ag11 Ag24 Ag2A 82.04(16) . 2_565 ?
Ag11 Ag24 Ag10 52.725(19) . . ?
Ag23 Ag24 Ag2A 133.49(12) . 2_565 ?
Ag23 Ag24 Ag10 153.76(3) . . ?
Ag23 Ag24 Ag11 129.28(3) . . ?
O10 Ag24 Ag2A 132.8(2) 2_565 2_565 ?
O10 Ag24 Ag10 74.26(14) 2_565 . ?
O10 Ag24 Ag11 51.35(14) 2_565 . ?
O10 Ag24 Ag23 88.84(14) 2_565 . ?
O10 Ag24 S3 152.04(15) 2_565 . ?
O10 Ag24 S9 78.46(14) 2_565 . ?
S3 Ag24 Ag2A 50.40(18) . 2_565 ?
S3 Ag24 Ag10 83.98(5) . . ?
S3 Ag24 Ag11 125.60(6) . . ?
S3 Ag24 Ag23 104.37(6) . . ?
S3 Ag24 S9 129.10(7) . . ?
S9 Ag24 Ag2A 108.84(16) . 2_565 ?
S9 Ag24 Ag10 138.63(6) . . ?
S9 Ag24 Ag11 85.93(6) . . ?
S9 Ag24 Ag23 52.37(6) . . ?
Ag26 Ag25 Ag39 138.92(3) . . ?
O22 Ag25 Ag26 137.67(13) . . ?
O22 Ag25 Ag39 71.14(12) . . ?
S3 Ag25 Ag26 109.43(6) . . ?
S3 Ag25 Ag39 100.48(6) . . ?
S3 Ag25 O22 84.56(13) . . ?
S19 Ag25 Ag26 57.82(6) . . ?
S19 Ag25 Ag39 84.33(6) . . ?
S19 Ag25 O22 116.96(14) . . ?
S19 Ag25 S3 158.16(8) . . ?
Ag25 Ag26 Ag7A 83.6(3) . . ?
O1 Ag26 Ag7A 43.6(3) 2_565 . ?
O1 Ag26 Ag25 93.21(14) 2_565 . ?
O1 Ag26 O40 89.3(2) 2_565 . ?
O1 Ag26 S4 124.77(15) 2_565 . ?
O1 Ag26 S19 82.85(15) 2_565 . ?
O40 Ag26 Ag7A 74.9(4) . . ?
O40 Ag26 Ag25 145.84(18) . . ?
O40 Ag26 S19 95.7(2) . . ?
S4 Ag26 Ag7A 167.64(19) . . ?
S4 Ag26 Ag25 103.04(6) . . ?
S4 Ag26 O40 103.3(2) . . ?
S4 Ag26 S19 145.94(8) . . ?
S19 Ag26 Ag7A 45.68(16) . . ?
S19 Ag26 Ag25 51.00(5) . . ?
Ag7 Ag27 Ag28 70.97(7) . . ?
Ag7 Ag27 Ag32 159.06(5) . . ?
Ag7A Ag27 Ag28 63.3(4) . . ?
Ag7A Ag27 Ag32 155.7(3) . . ?
Ag28 Ag27 Ag32 93.35(3) . . ?
O24 Ag27 Ag7 144.07(14) . . ?
O24 Ag27 Ag7A 136.6(4) . . ?
O24 Ag27 Ag28 102.33(13) . . ?
O24 Ag27 Ag32 51.17(13) . . ?
S13 Ag27 Ag7 112.25(7) . . ?
S13 Ag27 Ag7A 108.9(3) . . ?
S13 Ag27 Ag28 52.39(5) . . ?
S13 Ag27 Ag32 47.22(5) . . ?
S13 Ag27 O24 86.93(14) . . ?
S19 Ag27 Ag7 54.49(6) . . ?
S19 Ag27 Ag7A 55.3(2) . . ?
S19 Ag27 Ag28 107.69(6) . . ?
S19 Ag27 Ag32 146.24(6) . . ?
S19 Ag27 O24 97.65(14) . . ?
S19 Ag27 S13 160.04(8) . . ?
Ag7A Ag28 Ag29 91.13(18) . . ?
Ag7A Ag28 Ag31 146.46(17) . . ?
Ag27 Ag28 Ag7A 54.06(17) . . ?
Ag27 Ag28 Ag29 144.76(3) . . ?
Ag27 Ag28 Ag31 92.42(3) . . ?
Ag29 Ag28 Ag31 122.03(3) . . ?
O3 Ag28 Ag7A 79.7(3) 2_565 . ?
O3 Ag28 Ag27 105.15(14) 2_565 . ?
O3 Ag28 Ag29 69.08(14) 2_565 . ?
O3 Ag28 Ag31 114.72(13) 2_565 . ?
O3 Ag28 O29 86.6(2) 2_565 2_565 ?
O3 Ag28 S13 144.04(14) 2_565 . ?
O3 Ag28 S14 90.29(14) 2_565 . ?
O29 Ag28 Ag7A 137.9(2) 2_565 . ?
O29 Ag28 Ag27 165.77(14) 2_565 . ?
O29 Ag28 Ag29 46.92(14) 2_565 . ?
O29 Ag28 Ag31 75.11(14) 2_565 . ?
O29 Ag28 S14 90.60(15) 2_565 . ?
S13 Ag28 Ag7A 101.3(2) . . ?
S13 Ag28 Ag27 53.28(6) . . ?
S13 Ag28 Ag29 145.94(5) . . ?
S13 Ag28 Ag31 48.69(6) . . ?
S13 Ag28 O29 112.50(15) . 2_565 ?
S13 Ag28 S14 118.33(7) . . ?
S14 Ag28 Ag7A 50.2(2) . . ?
S14 Ag28 Ag27 97.21(5) . . ?
S14 Ag28 Ag29 49.51(5) . . ?
S14 Ag28 Ag31 149.78(5) . . ?
Ag18 Ag29 Ag28 149.97(3) . . ?
Ag18 Ag29 Ag30 59.11(2) . . ?
Ag30 Ag29 Ag28 90.92(2) . . ?
O29 Ag29 Ag18 159.88(14) 2_565 . ?
O29 Ag29 Ag28 50.07(14) 2_565 . ?
O29 Ag29 Ag30 140.98(14) 2_565 . ?
O29 Ag29 S14 95.31(16) 2_565 . ?
O29 Ag29 S15 107.55(15) 2_565 . ?
S14 Ag29 Ag18 101.93(6) . . ?
S14 Ag29 Ag28 51.60(5) . . ?
S14 Ag29 Ag30 51.25(5) . . ?
S15 Ag29 Ag18 52.54(6) . . ?
S15 Ag29 Ag28 157.42(6) . . ?
S15 Ag29 Ag30 111.36(6) . . ?
S15 Ag29 S14 147.39(7) . . ?
Ag18 Ag30 Ag7A 148.3(3) . . ?
Ag18 Ag30 Ag21 92.32(3) . . ?
Ag18 Ag30 Ag29 59.95(2) . . ?
Ag21 Ag30 Ag7A 108.2(2) . . ?
Ag29 Ag30 Ag7A 88.9(3) . . ?
Ag29 Ag30 Ag21 116.28(3) . . ?
O4 Ag30 Ag7A 93.1(4) 2_565 . ?
O4 Ag30 Ag18 79.77(12) 2_565 . ?
O4 Ag30 Ag21 53.31(12) 2_565 . ?
O4 Ag30 Ag29 65.22(12) 2_565 . ?
O4 Ag30 O42 128.4(2) 2_565 . ?
O42 Ag30 Ag7A 66.6(4) . . ?
O42 Ag30 Ag18 140.3(2) . . ?
O42 Ag30 Ag21 87.23(19) . . ?
O42 Ag30 Ag29 151.0(2) . . ?
S14 Ag30 Ag7A 45.78(18) . . ?
S14 Ag30 Ag18 104.70(6) . . ?
S14 Ag30 Ag21 145.80(5) . . ?
S14 Ag30 Ag29 53.70(5) . . ?
S14 Ag30 O4 100.22(13) . 2_565 ?
S14 Ag30 O42 97.3(2) . . ?
S14 Ag30 S18 157.03(8) . . ?
S18 Ag30 Ag7A 157.07(18) . . ?
S18 Ag30 Ag18 52.69(6) . . ?
S18 Ag30 Ag21 50.94(5) . . ?
S18 Ag30 Ag29 108.31(6) . . ?
S18 Ag30 O4 81.13(13) . 2_565 ?
S18 Ag30 O42 99.7(2) . . ?
Ag9 Ag31 Ag32 130.53(3) 2_565 . ?
Ag28 Ag31 Ag9 138.43(3) . 2_565 ?
Ag28 Ag31 Ag32 88.38(2) . . ?
O25 Ag31 Ag9 48.72(13) . 2_565 ?
O25 Ag31 Ag28 119.70(13) . . ?
O25 Ag31 Ag32 100.82(12) . . ?
O25 Ag31 S8 79.78(13) . 2_565 ?
O30 Ag31 Ag9 47.51(14) 2_565 2_565 ?
O30 Ag31 Ag28 91.34(14) 2_565 . ?
O30 Ag31 Ag32 168.71(12) 2_565 . ?
O30 Ag31 O25 69.61(18) 2_565 . ?
O30 Ag31 S8 90.25(15) 2_565 2_565 ?
O30 Ag31 S13 136.95(15) 2_565 . ?
S8 Ag31 Ag9 49.09(5) 2_565 2_565 ?
S8 Ag31 Ag28 159.60(5) 2_565 . ?
S8 Ag31 Ag32 93.95(6) 2_565 . ?
S13 Ag31 Ag9 170.75(6) . 2_565 ?
S13 Ag31 Ag28 48.22(5) . . ?
S13 Ag31 Ag32 47.23(5) . . ?
S13 Ag31 O25 137.70(13) . . ?
S13 Ag31 S8 122.18(8) . 2_565 ?
Ag27 Ag32 Ag31 85.28(2) . . ?
Ag27 Ag32 Ag37 111.70(3) . . ?
Ag31 Ag32 Ag37 113.35(3) . . ?
Ag33 Ag32 Ag27 150.56(3) . . ?
Ag33 Ag32 Ag31 67.28(3) . . ?
Ag33 Ag32 Ag37 89.75(3) . . ?
O26 Ag32 Ag27 100.92(12) . . ?
O26 Ag32 Ag31 64.62(12) . . ?
O26 Ag32 Ag33 77.45(12) . . ?
O26 Ag32 Ag37 49.23(12) . . ?
O26 Ag32 O34 139.9(2) . . ?
O34 Ag32 Ag27 67.0(2) . . ?
O34 Ag32 Ag31 144.4(2) . . ?
O34 Ag32 Ag33 131.9(2) . . ?
O34 Ag32 Ag37 97.96(18) . . ?
S12 Ag32 Ag27 155.74(6) . . ?
S12 Ag32 Ag31 114.48(6) . . ?
S12 Ag32 Ag33 53.32(6) . . ?
S12 Ag32 Ag37 48.82(5) . . ?
S12 Ag32 O26 77.16(13) . . ?
S12 Ag32 O34 98.6(2) . . ?
S13 Ag32 Ag27 47.91(6) . . ?
S13 Ag32 Ag31 47.64(6) . . ?
S13 Ag32 Ag33 103.16(6) . . ?
S13 Ag32 Ag37 145.36(5) . . ?
S13 Ag32 O26 101.89(13) . . ?
S13 Ag32 O34 96.8(2) . . ?
S13 Ag32 S12 156.35(8) . . ?
Ag32 Ag33 Ag35 98.96(3) . . ?
S8 Ag33 Ag32 112.61(7) 2_565 . ?
S8 Ag33 Ag35 118.61(6) 2_565 . ?
S8 Ag33 S12 155.41(7) 2_565 . ?
S12 Ag33 Ag32 54.88(6) . . ?
S12 Ag33 Ag35 52.14(6) . . ?
Ag5A Ag34 Ag35 145.4(2) 2_565 . ?
Ag6 Ag34 Ag35 73.90(3) 2_565 . ?
O13 Ag34 Ag5A 66.7(3) . 2_565 ?
O13 Ag34 Ag6 102.55(14) . 2_565 ?
O13 Ag34 Ag35 86.72(15) . . ?
O13 Ag34 S11 77.77(15) . . ?
S7 Ag34 Ag5A 52.0(2) 2_565 2_565 ?
S7 Ag34 Ag6 48.67(8) 2_565 2_565 ?
S7 Ag34 Ag35 122.46(8) 2_565 . ?
S7 Ag34 O13 106.49(16) 2_565 . ?
S7 Ag34 S11 171.78(10) 2_565 . ?
S11 Ag34 Ag5A 135.8(2) . 2_565 ?
S11 Ag34 Ag6 123.96(7) . 2_565 ?
S11 Ag34 Ag35 50.07(6) . . ?
Ag33 Ag35 Ag34 109.67(3) . . ?
Ag36 Ag35 Ag33 141.64(4) . . ?
Ag36 Ag35 Ag34 88.23(3) . . ?
O14 Ag35 Ag33 64.68(13) . . ?
O14 Ag35 Ag34 65.66(14) . . ?
O14 Ag35 Ag36 95.28(12) . . ?
O14 Ag35 O39 90.8(2) . . ?
O14 Ag35 S11 102.73(15) . . ?
O14 Ag35 S12 95.64(15) . . ?
O39 Ag35 Ag33 69.35(19) . . ?
O39 Ag35 Ag34 64.95(19) . . ?
O39 Ag35 Ag36 147.02(19) . . ?
S11 Ag35 Ag33 157.90(7) . . ?
S11 Ag35 Ag34 48.61(6) . . ?
S11 Ag35 Ag36 53.22(6) . . ?
S11 Ag35 O39 93.82(19) . . ?
S12 Ag35 Ag33 51.10(5) . . ?
S12 Ag35 Ag34 159.14(6) . . ?
S12 Ag35 Ag36 103.32(6) . . ?
S12 Ag35 O39 108.30(19) . . ?
S12 Ag35 S11 151.00(8) . . ?
Ag1A Ag36 Ag37 98.4(3) . . ?
Ag35 Ag36 Ag1 164.36(7) . . ?
Ag35 Ag36 Ag1A 167.5(2) . . ?
Ag35 Ag36 Ag37 69.26(3) . . ?
Ag37 Ag36 Ag1 95.98(6) . . ?
S10 Ag36 Ag1 47.49(9) . . ?
S10 Ag36 Ag1A 53.3(5) . . ?
S10 Ag36 Ag35 117.07(7) . . ?
S10 Ag36 Ag37 55.14(6) . . ?
S10 Ag36 S11 153.21(9) . . ?
S11 Ag36 Ag1 138.98(8) . . ?
S11 Ag36 Ag1A 137.1(3) . . ?
S11 Ag36 Ag35 55.28(6) . . ?
S11 Ag36 Ag37 124.51(7) . . ?
Ag36 Ag37 Ag32 136.04(3) . . ?
Ag36 Ag37 Ag38 94.32(3) . . ?
Ag38 Ag37 Ag32 129.12(4) . . ?
O21 Ag37 Ag32 94.87(13) . . ?
O21 Ag37 Ag36 104.19(13) . . ?
O21 Ag37 Ag38 58.95(12) . . ?
O21 Ag37 O26 64.77(17) . . ?
O21 Ag37 S10 94.06(13) . . ?
O21 Ag37 S12 138.59(13) . . ?
O26 Ag37 Ag32 48.35(11) . . ?
O26 Ag37 Ag36 105.85(12) . . ?
O26 Ag37 Ag38 123.26(12) . . ?
O26 Ag37 S10 144.80(12) . . ?
S10 Ag37 Ag32 166.84(6) . . ?
S10 Ag37 Ag36 49.93(6) . . ?
S10 Ag37 Ag38 49.66(6) . . ?
S12 Ag37 Ag32 47.32(5) . . ?
S12 Ag37 Ag36 97.19(6) . . ?
S12 Ag37 Ag38 154.05(6) . . ?
S12 Ag37 O26 75.51(12) . . ?
S12 Ag37 S10 126.39(7) . . ?
Ag3A Ag38 Ag37 143.0(11) 2_565 . ?
Ag3A Ag38 Ag39 90.7(7) 2_565 . ?
Ag37 Ag38 Ag3 151.05(7) . 2_565 ?
Ag39 Ag38 Ag3 95.24(7) . 2_565 ?
Ag39 Ag38 Ag37 73.00(3) . . ?
S2 Ag38 Ag3 51.73(10) . 2_565 ?
S2 Ag38 Ag3A 51.25(18) . 2_565 ?
S2 Ag38 Ag37 123.52(7) . . ?
S2 Ag38 Ag39 50.53(6) . . ?
S2 Ag38 S10 169.65(9) . . ?
S10 Ag38 Ag3 135.33(9) . 2_565 ?
S10 Ag38 Ag3A 137.1(3) . 2_565 ?
S10 Ag38 Ag37 55.17(5) . . ?
S10 Ag38 Ag39 127.07(6) . . ?
Ag38 Ag39 Ag25 128.86(3) . . ?
O24 Ag39 Ag25 78.19(15) . . ?
O24 Ag39 Ag38 113.21(15) . . ?
O24 Ag39 O35 84.3(3) . . ?
O24 Ag39 S2 153.83(15) . . ?
O35 Ag39 Ag25 103.8(2) . . ?
O35 Ag39 Ag38 126.3(2) . . ?
S2 Ag39 Ag25 96.33(7) . . ?
S2 Ag39 Ag38 51.03(7) . . ?
S2 Ag39 O35 121.7(3) . . ?
O47 Ag40 Ag20 147.4(3) . . ?
O47 Ag40 S11 94.0(3) . 2_565 ?
S6 Ag40 Ag20 47.49(6) . . ?
S6 Ag40 O47 101.1(3) . . ?
S6 Ag40 S11 157.34(8) . 2_565 ?
S11 Ag40 Ag20 118.51(6) 2_565 . ?
F10 C0AA F11A 112.5(17) . . ?
F10 C0AA F12A 97.5(14) . . ?
F10 C0AA S1A 119.5(13) . . ?
F11 C0AA F12 108.7(13) . . ?
F11 C0AA S1 109.2(13) . . ?
F11A C0AA F12A 100.2(14) . . ?
F11A C0AA S1A 117.6(13) . . ?
F12 C0AA S1 105.1(10) . . ?
F12A C0AA S1A 104.7(12) . . ?
F10A C0AA F11 108.2(15) . . ?
F10A C0AA F12 114.6(16) . . ?
F10A C0AA S1 110.9(12) . . ?
O56 C3 N2 119(2) . . ?
O56A C3A N2A 127(3) . . ?
O57 C6 N3 134(3) . . ?
O57A C6A N3A 111(3) . . ?
C7 C8 S11 108.8(10) . . ?
C9 C8 C7 110.5(15) . . ?
C9 C8 S11 111.7(12) . . ?
C10 C11 S10 113.7(10) . . ?
C12 C11 C10 104.6(8) . . ?
C12 C11 S10 112.2(11) . . ?
C13 C14 C15 113.8(12) . . ?
C13 C14 S2 109.2(9) . . ?
C15 C14 S2 108.2(10) . . ?
C16 C17 C18 115.4(10) . . ?
C16 C17 S3 109.9(8) . . ?
C18 C17 S3 109.8(8) . . ?
C19 C20 C21 112.8(9) . . ?
C19 C20 S19 110.0(7) . . ?
C21 C20 S19 108.6(7) . . ?
C22 C23 C24 114.2(11) . . ?
C22 C23 S12 109.7(7) . . ?
C24 C23 S12 111.0(8) . . ?
C25 C26 S13 108.1(9) . . ?
C27 C26 C25 100.9(7) . . ?
C27 C26 S13 109.9(7) . . ?
C28 C29 C30 108.7(9) . . ?
C28 C29 S14 111.6(7) . . ?
C30 C29 S14 108.7(7) . . ?
C31 C32 S18 111.1(9) . . ?
C33 C32 C31 114.8(14) . . ?
C33 C32 S18 111.7(11) . . ?
C34 C35 C36 112.0(9) . . ?
C34 C35 S15 110.9(8) . . ?
C36 C35 S15 108.6(6) . . ?
C37 C38 S16 109.1(6) . . ?
C39 C38 C37 112.0(8) . . ?
C39 C38 S16 109.9(7) . . ?
C40 C41 S17 110.9(9) . . ?
C42 C41 C40 121.3(12) . . ?
C42 C41 S17 111.9(8) . . ?
C43 C44 C45 100.4(8) . . ?
C43 C44 S6 109.1(9) . . ?
C45 C44 S6 108.5(9) . . ?
C46 C47 C48 114.2(12) . . ?
C46 C47 S7 111.0(8) . . ?
C48 C47 S7 106.7(7) . . ?
C49 C50 C51 100.4(8) . . ?
C49 C50 S8 108.3(7) . . ?
C51 C50 S8 107.0(7) . . ?
C52 C53 S9 108.2(7) . . ?
C54 C53 C52 112.3(10) . . ?
C54 C53 S9 111.3(7) . . ?
C55 C56 C57 116.0(16) . . ?
C55 C56 S5 115.4(12) . . ?
C57 C56 S5 112.0(9) . . ?
C58 C59 S4 109.3(9) . . ?
C60 C59 C58 114.9(11) . . ?
C60 C59 S4 114.3(9) . . ?
F1 C61 F3 107.0(13) . . ?
F1 C61 S20 107.7(11) . . ?
F2 C61 F1 113.0(15) . . ?
F2 C61 F3 109.9(12) . . ?
F2 C61 S20 112.6(10) . . ?
F3 C61 S20 106.3(11) . . ?
F4 C62 F5 110.1(11) . . ?
F4 C62 F6 109.3(12) . . ?
F4 C62 S21 112.6(8) . . ?
F5 C62 F6 104.2(9) . . ?
F5 C62 S21 110.1(9) . . ?
F6 C62 S21 110.3(8) . . ?
F16 C63 S26 113.2(10) . . ?
F17 C63 F16 106.6(9) . . ?
F17 C63 F18 106.9(9) . . ?
F17 C63 S26 111.7(10) . . ?
F18 C63 F16 105.6(9) . . ?
F18 C63 S26 112.3(10) . . ?
F13 C64 S24 110(2) . . ?
F14 C64 F13 106.0(19) . . ?
F14 C64 S24 111.4(14) . . ?
F15 C64 F13 103.1(17) . . ?
F15 C64 F14 110(2) . . ?
F15 C64 S24 115.7(16) . . ?
F22 C65 S23 110.1(8) . . ?
F23 C65 F22 108.1(8) . . ?
F23 C65 F24 107.4(8) . . ?
F23 C65 S23 112.0(8) . . ?
F24 C65 F22 108.2(8) . . ?
F24 C65 S23 110.9(8) . . ?
F19 C67 F21 107.1(13) . . ?
F19 C67 S25 112.0(11) . . ?
F20 C67 F19 105.8(12) . . ?
F20 C67 F21 110.5(14) . . ?
F20 C67 S25 111.2(10) . . ?
F21 C67 S25 110.1(9) . . ?
O55 C70 N1 128(2) . . ?
F7 C71 F8 106.3(9) . . ?
F7 C71 F9 110.3(12) . . ?
F7 C71 S22 112.2(9) . . ?
F8 C71 S22 110.1(9) . . ?
F9 C71 F8 106.4(10) . . ?
F9 C71 S22 111.3(7) . . ?
O27 Mo1 O28 108.3(3) . . ?
O27 Mo1 O29 110.2(3) . . ?
O27 Mo1 O30 108.9(3) . . ?
O28 Mo1 O30 110.5(3) . . ?
O29 Mo1 O28 109.9(3) . . ?
O29 Mo1 O30 108.9(3) . . ?
O1 Mo2 O2 104.9(3) . . ?
O1 Mo2 O3 103.3(3) . . ?
O1 Mo2 O4 84.1(2) . . ?
O1 Mo2 O5 149.3(2) . . ?
O1 Mo2 O9 84.0(2) . . ?
O2 Mo2 O3 102.3(3) . . ?
O2 Mo2 O4 163.6(2) . . ?
O2 Mo2 O5 94.7(2) . . ?
O2 Mo2 O9 90.2(2) . . ?
O3 Mo2 O4 88.7(2) . . ?
O3 Mo2 O5 95.2(2) . . ?
O3 Mo2 O9 163.1(2) . . ?
O5 Mo2 O4 71.94(19) . . ?
O5 Mo2 O9 72.3(2) . . ?
O9 Mo2 O4 76.9(2) . . ?
O5 Mo3 O11 73.20(18) . . ?
O9 Mo3 O5 76.5(2) . . ?
O9 Mo3 O11 83.6(2) . . ?
O9 Mo3 O16 152.6(2) . . ?
O10 Mo3 O5 91.9(2) . . ?
O10 Mo3 O9 104.6(2) . . ?
O10 Mo3 O11 161.1(2) . . ?
O10 Mo3 O16 95.4(2) . . ?
O12 Mo3 O5 164.9(2) . . ?
O12 Mo3 O9 97.2(3) . . ?
O12 Mo3 O10 103.0(3) . . ?
O12 Mo3 O11 92.6(2) . . ?
O12 Mo3 O16 96.4(3) . . ?
O16 Mo3 O5 84.3(2) . . ?
O16 Mo3 O11 72.06(19) . . ?
O4 Mo4 O5 77.7(2) . . ?
O4 Mo4 O8 155.5(2) . . ?
O4 Mo4 O11 87.9(2) . . ?
O5 Mo4 O11 75.23(19) . . ?
O6 Mo4 O4 102.7(2) . . ?
O6 Mo4 O5 94.8(2) . . ?
O6 Mo4 O7 103.7(2) . . ?
O6 Mo4 O8 93.1(2) . . ?
O6 Mo4 O11 163.7(2) . . ?
O7 Mo4 O4 98.7(2) . . ?
O7 Mo4 O5 161.5(2) . . ?
O7 Mo4 O8 95.6(2) . . ?
O7 Mo4 O11 86.6(2) . . ?
O8 Mo4 O5 82.45(19) . . ?
O8 Mo4 O11 73.1(2) . . ?
O11 Mo5 O8 76.0(2) . . ?
O11 Mo5 O16 75.7(2) . . ?
O11 Mo5 O17 143.2(2) . . ?
O13 Mo5 O8 166.4(2) . . ?
O13 Mo5 O11 96.9(3) . . ?
O13 Mo5 O16 90.1(2) . . ?
O13 Mo5 O17 105.3(3) . . ?
O15 Mo5 O8 90.8(2) . . ?
O15 Mo5 O11 105.8(3) . . ?
O15 Mo5 O13 102.5(3) . . ?
O15 Mo5 O16 166.9(2) . . ?
O15 Mo5 O17 97.7(3) . . ?
O16 Mo5 O8 76.92(19) . . ?
O17 Mo5 O8 75.8(2) . . ?
O17 Mo5 O16 75.3(2) . . ?
O8 Mo6 O17 71.74(19) . . ?
O8 Mo6 O18 83.07(19) . . ?
O18 Mo6 O17 73.16(18) . . ?
O19 Mo6 O8 95.5(2) . . ?
O19 Mo6 O17 162.4(2) . . ?
O19 Mo6 O18 93.7(2) . . ?
O19 Mo6 O21 103.9(2) . . ?
O20 Mo6 O8 97.8(2) . . ?
O20 Mo6 O17 90.9(2) . . ?
O20 Mo6 O18 163.0(2) . . ?
O20 Mo6 O19 103.1(3) . . ?
O20 Mo6 O21 97.3(2) . . ?
O21 Mo6 O8 151.9(2) . . ?
O21 Mo6 O17 84.5(2) . . ?
O21 Mo6 O18 75.6(2) . . ?
O18 Mo7 O21 72.4(2) . . ?
O18 Mo7 O26 72.96(19) . . ?
O21 Mo7 O26 75.14(19) . . ?
O22 Mo7 O18 96.3(2) . . ?
O22 Mo7 O21 91.7(2) . . ?
O22 Mo7 O23 103.4(3) . . ?
O22 Mo7 O24 103.5(3) . . ?
O22 Mo7 O26 164.9(2) . . ?
O23 Mo7 O18 95.3(2) . . ?
O23 Mo7 O21 161.6(2) . . ?
O23 Mo7 O24 102.4(3) . . ?
O23 Mo7 O26 88.4(2) . . ?
O24 Mo7 O18 149.4(2) . . ?
O24 Mo7 O21 83.8(2) . . ?
O24 Mo7 O26 82.7(2) . . ?
O14 Mo8 O16 98.2(2) . . ?
O14 Mo8 O17 89.5(2) . . ?
O14 Mo8 O18 164.5(2) . . ?
O14 Mo8 O25 103.2(3) . . ?
O14 Mo8 O26 100.6(3) . . ?
O16 Mo8 O17 73.9(2) . . ?
O16 Mo8 O18 80.8(2) . . ?
O17 Mo8 O18 75.30(18) . . ?
O25 Mo8 O16 91.3(2) . . ?
O25 Mo8 O17 161.9(2) . . ?
O25 Mo8 O18 92.3(2) . . ?
O25 Mo8 O26 102.1(2) . . ?
O26 Mo8 O16 153.7(2) . . ?
O26 Mo8 O17 88.0(2) . . ?
O26 Mo8 O18 76.2(2) . . ?
C68 N1 C69 120.1(18) . . ?
C70 N1 C68 119.2(19) . . ?
C70 N1 C69 119.9(17) . . ?
C2 N2 C1 114.7(18) . . ?
C3 N2 C1 124.0(19) . . ?
C3 N2 C2 121(2) . . ?
C2A N2A C1A 117(2) . . ?
C3A N2A C1A 120(2) . . ?
C3A N2A C2A 123(2) . . ?
C5 N3 C4 122(3) . . ?
C6 N3 C4 114(3) . . ?
C6 N3 C5 124(3) . . ?
C5A N3A C4A 108.2(10) . . ?
C6A N3A C4A 137(2) . . ?
C6A N3A C5A 114(2) . . ?
Ag7A O1 Ag26 91.1(3) 2_565 2_565 ?
Mo2 O1 Ag7A 122.0(6) . 2_565 ?
Mo2 O1 Ag26 113.9(3) . 2_565 ?
Mo2 O2 Ag10 125.0(3) . 2_565 ?
Ag12 O3 Ag28 99.2(2) . 2_565 ?
Mo2 O3 Ag12 114.8(3) . . ?
Mo2 O3 Ag28 138.1(3) . 2_565 ?
Mo2 O4 Ag30 105.0(2) . 2_565 ?
Mo4 O4 Ag30 144.0(3) . 2_565 ?
Mo4 O4 Mo2 107.7(2) . . ?
Mo2 O5 Ag13 120.7(2) . 2_565 ?
Mo2 O5 Mo3 98.1(2) . . ?
Mo2 O5 Mo4 99.2(2) . . ?
Mo3 O5 Ag13 110.8(2) . 2_565 ?
Mo4 O5 Ag13 117.3(2) . 2_565 ?
Mo4 O5 Mo3 108.5(2) . . ?
Ag14 O6 Ag16 86.96(18) 2_565 2_565 ?
Mo4 O6 Ag14 131.8(3) . 2_565 ?
Mo4 O6 Ag16 123.0(2) . 2_565 ?
Ag19 O7 Ag17 96.93(18) 2_565 2_565 ?
Mo4 O7 Ag17 136.2(3) . 2_565 ?
Mo4 O7 Ag19 126.8(3) . 2_565 ?
Mo4 O8 Mo5 103.7(2) . . ?
Mo6 O8 Mo4 147.5(3) . . ?
Mo6 O8 Mo5 107.8(2) . . ?
Ag21 O9 Ag22 74.06(15) 2_565 2_565 ?
Mo2 O9 Ag21 107.1(2) . 2_565 ?
Mo2 O9 Ag22 139.6(3) . 2_565 ?
Mo3 O9 Ag21 115.5(3) . 2_565 ?
Mo3 O9 Ag22 108.3(2) . 2_565 ?
Mo3 O9 Mo2 107.1(2) . . ?
Ag24 O10 Ag11 80.90(17) 2_565 2_565 ?
Mo3 O10 Ag11 136.5(3) . 2_565 ?
Mo3 O10 Ag24 139.9(3) . 2_565 ?
Mo4 O11 Mo3 102.8(2) . . ?
Mo5 O11 Mo3 102.4(2) . . ?
Mo5 O11 Mo4 103.2(2) . . ?
Mo3 O12 Ag5A 152.3(5) . 2_565 ?
Mo5 O13 Ag34 154.4(3) . . ?
Ag35 O14 Ag6 101.26(19) . 2_565 ?
Mo8 O14 Ag6 130.1(3) . 2_565 ?
Mo8 O14 Ag35 126.3(3) . . ?
Mo5 O15 Ag4 157.0(3) . 2_565 ?
Mo3 O16 Mo5 106.9(2) . . ?
Mo3 O16 Mo8 148.7(3) . . ?
Mo8 O16 Mo5 103.3(2) . . ?
Mo5 O17 Mo6 101.5(2) . . ?
Mo5 O17 Mo8 103.1(2) . . ?
Mo8 O17 Mo6 104.0(2) . . ?
Mo6 O18 Ag13 113.2(2) . 2_565 ?
Mo6 O18 Mo8 107.2(2) . . ?
Mo7 O18 Ag13 117.4(2) . 2_565 ?
Mo7 O18 Mo6 99.9(2) . . ?
Mo7 O18 Mo8 99.42(19) . . ?
Mo8 O18 Ag13 117.5(2) . 2_565 ?
Ag14 O19 Ag2 89.59(19) 2_565 2_565 ?
Mo6 O19 Ag2 135.2(3) . 2_565 ?
Mo6 O19 Ag14 134.6(3) . 2_565 ?
Ag1A O20 Ag15 76.1(4) . 2_565 ?
Mo6 O20 Ag1A 146.9(7) . . ?
Mo6 O20 Ag15 132.2(3) . 2_565 ?
Mo6 O21 Ag37 117.6(3) . . ?
Mo6 O21 Mo7 106.3(2) . . ?
Mo7 O21 Ag37 106.0(2) . . ?
Ag10 O22 Ag25 101.8(2) . . ?
Mo7 O22 Ag10 126.3(3) . . ?
Mo7 O22 Ag25 122.4(3) . . ?
Mo7 O23 Ag12 116.7(3) . 2_565 ?
Ag39 O24 Ag27 108.9(2) . . ?
Mo7 O24 Ag27 117.6(3) . . ?
Mo7 O24 Ag39 112.8(3) . . ?
Ag9 O25 Ag31 81.79(15) 2_565 . ?
Ag11 O25 Ag9 83.80(17) 2_565 2_565 ?
Ag11 O25 Ag31 99.47(19) 2_565 . ?
Mo8 O25 Ag9 129.6(3) . 2_565 ?
Mo8 O25 Ag11 135.9(3) . 2_565 ?
Mo8 O25 Ag31 111.8(2) . . ?
Ag32 O26 Ag37 82.42(16) . . ?
Mo7 O26 Ag32 98.4(2) . . ?
Mo7 O26 Ag37 101.2(2) . . ?
Mo8 O26 Ag32 144.9(3) . . ?
Mo8 O26 Ag37 114.9(2) . . ?
Mo8 O26 Mo7 107.1(2) . . ?
Ag14 O28 Ag2A 71.2(2) 2_565 2_565 ?
Ag14 O28 Ag16 89.1(2) 2_565 2_565 ?
Ag16 O28 Ag2A 88.9(3) 2_565 2_565 ?
Mo1 O28 Ag2A 145.9(4) . 2_565 ?
Mo1 O28 Ag14 110.1(3) . 2_565 ?
Mo1 O28 Ag16 124.9(3) . 2_565 ?
Ag29 O29 Ag28 83.01(19) 2_565 2_565 ?
Mo1 O29 Ag28 136.6(3) . 2_565 ?
Mo1 O29 Ag29 135.6(3) . 2_565 ?
Ag9 O30 Ag31 83.97(18) . 2_565 ?
Ag11 O30 Ag9 84.10(18) . . ?
Ag11 O30 Ag31 99.62(19) . 2_565 ?
Mo1 O30 Ag9 146.6(3) . . ?
Mo1 O30 Ag11 116.2(3) . . ?
Mo1 O30 Ag31 115.6(3) . 2_565 ?
S1A O32 Ag23 137.9(16) . . ?
S21 O34 Ag32 112.3(4) . . ?
S21 O35 Ag39 106.8(4) . . ?
S20 O39 Ag35 134.6(5) . . ?
S22 O40 Ag26 114.8(4) . . ?
S22 O42 Ag30 121.0(4) . . ?
S25 O43 Ag18 103.9(4) . . ?
S24 O47 Ag40 115.9(6) . . ?
S26 O51 Ag1 122.8(7) . 2_565 ?
S23 O53 Ag5 103.6(9) . . ?
C70 O55 Ag3 126.2(13) . . ?
C3 O56 Ag7 132.5(15) . . ?
C6 O57 Ag5 119(2) . . ?
C6A O57A Ag23 139.5(13) . . ?
O31 S1 C0AA 97.0(8) . . ?
O31 S1 O32A 116.5(12) . . ?
O32A S1 C0AA 101.1(11) . . ?
O33A S1 C0AA 108.6(11) . . ?
O33A S1 O31 120.5(11) . . ?
O33A S1 O32A 109.9(14) . . ?
O31A S1A C0AA 94.6(12) . . ?
O31A S1A O32 116.0(14) . . ?
O31A S1A O33 115.1(14) . . ?
O32 S1A C0AA 108.2(14) . . ?
O32 S1A O33 115.7(14) . . ?
O33 S1A C0AA 103.7(11) . . ?
Ag3A S2 Ag38 77.0(2) 2_565 . ?
Ag38 S2 Ag3 78.23(13) . 2_565 ?
Ag39 S2 Ag3 136.62(14) . 2_565 ?
Ag39 S2 Ag3A 127.2(13) . 2_565 ?
Ag39 S2 Ag38 78.44(8) . . ?
C14 S2 Ag3 107.7(4) . 2_565 ?
C14 S2 Ag3A 117.8(15) . 2_565 ?
C14 S2 Ag38 103.0(5) . . ?
C14 S2 Ag39 113.0(4) . . ?
Ag2 S3 Ag24 104.98(9) 2_565 . ?
Ag2 S3 Ag25 119.32(9) 2_565 . ?
Ag24 S3 Ag2A 82.8(2) . 2_565 ?
Ag24 S3 Ag25 101.04(8) . . ?
Ag25 S3 Ag2A 130.44(18) . 2_565 ?
C17 S3 Ag2 109.6(3) . 2_565 ?
C17 S3 Ag2A 110.7(4) . 2_565 ?
C17 S3 Ag24 103.4(3) . . ?
C17 S3 Ag25 116.1(3) . . ?
Ag22 S4 Ag23 82.29(8) . . ?
Ag22 S4 Ag26 92.78(8) . . ?
Ag23 S4 Ag26 137.15(10) . . ?
C59 S4 Ag22 104.2(4) . . ?
C59 S4 Ag23 111.5(4) . . ?
C59 S4 Ag26 110.9(4) . . ?
Ag5 S5 Ag21 137.19(11) . . ?
Ag20 S5 Ag5 85.14(10) . . ?
Ag20 S5 Ag5A 68.3(3) . . ?
Ag20 S5 Ag21 74.71(7) . . ?
Ag20 S5 Ag22 133.58(11) . . ?
Ag21 S5 Ag5A 120.9(3) . . ?
Ag22 S5 Ag5 96.47(10) . . ?
Ag22 S5 Ag5A 101.6(2) . . ?
Ag22 S5 Ag21 73.16(7) . . ?
C56 S5 Ag5 112.9(5) . . ?
C56 S5 Ag5A 125.2(6) . . ?
C56 S5 Ag20 108.6(4) . . ?
C56 S5 Ag21 109.3(5) . . ?
C56 S5 Ag22 113.1(5) . . ?
Ag4 S6 Ag19 73.90(7) . . ?
Ag4 S6 Ag20 126.85(11) . . ?
Ag4 S6 Ag40 91.14(10) . . ?
Ag4A S6 Ag19 74.7(2) . . ?
Ag4A S6 Ag20 138.2(4) . . ?
Ag4A S6 Ag40 100.0(4) . . ?
Ag20 S6 Ag19 74.35(7) . . ?
Ag40 S6 Ag19 138.13(10) . . ?
Ag40 S6 Ag20 85.22(8) . . ?
C44 S6 Ag4 114.4(4) . . ?
C44 S6 Ag4A 100.4(7) . . ?
C44 S6 Ag19 108.5(4) . . ?
C44 S6 Ag20 115.6(4) . . ?
C44 S6 Ag40 113.3(4) . . ?
Ag5A S7 Ag6A 142.6(3) . . ?
Ag5A S7 Ag8 85.3(3) . . ?
Ag5A S7 Ag34 72.7(3) . 2_565 ?
Ag6 S7 Ag5 142.64(11) . . ?
Ag6 S7 Ag8 75.56(8) . . ?
Ag8 S7 Ag5 81.13(9) . . ?
Ag8 S7 Ag6A 74.16(14) . . ?
Ag34 S7 Ag5 89.98(10) 2_565 . ?
Ag34 S7 Ag6 82.72(10) 2_565 . ?
Ag34 S7 Ag6A 96.30(19) 2_565 . ?
Ag34 S7 Ag8 129.00(10) 2_565 . ?
C47 S7 Ag5 106.5(4) . . ?
C47 S7 Ag5A 122.5(5) . . ?
C47 S7 Ag6 109.6(4) . . ?
C47 S7 Ag6A 94.6(4) . . ?
C47 S7 Ag8 114.1(4) . . ?
C47 S7 Ag34 116.5(4) . 2_565 ?
Ag6 S8 Ag9 71.76(7) . . ?
Ag6 S8 Ag31 127.38(9) . 2_565 ?
Ag6A S8 Ag9 75.28(17) . . ?
Ag6A S8 Ag31 144.4(3) . 2_565 ?
Ag6A S8 Ag33 97.4(2) . 2_565 ?
Ag9 S8 Ag31 77.95(6) . 2_565 ?
Ag33 S8 Ag6 87.18(8) 2_565 . ?
Ag33 S8 Ag9 135.87(9) 2_565 . ?
Ag33 S8 Ag31 85.77(8) 2_565 2_565 ?
C50 S8 Ag6 109.6(5) . . ?
C50 S8 Ag6A 90.3(6) . . ?
C50 S8 Ag9 108.6(5) . . ?
C50 S8 Ag31 120.5(5) . 2_565 ?
C50 S8 Ag33 115.0(4) . 2_565 ?
Ag8 S9 Ag9 72.80(7) . . ?
Ag8 S9 Ag23 77.97(7) . . ?
Ag8 S9 Ag24 120.78(9) . . ?
Ag9 S9 Ag23 146.28(10) . . ?
Ag9 S9 Ag24 108.58(8) . . ?
Ag23 S9 Ag24 72.67(6) . . ?
C53 S9 Ag8 112.6(3) . . ?
C53 S9 Ag9 104.5(3) . . ?
C53 S9 Ag23 102.0(3) . . ?
C53 S9 Ag24 123.0(3) . . ?
Ag1 S10 Ag37 139.8(3) . . ?
Ag1A S10 Ag37 128.0(7) . . ?
Ag36 S10 Ag1 86.2(3) . . ?
Ag36 S10 Ag1A 73.9(8) . . ?
Ag36 S10 Ag37 74.94(7) . . ?
Ag38 S10 Ag1 96.66(12) . . ?
Ag38 S10 Ag1A 101.2(4) . . ?
Ag38 S10 Ag36 136.15(10) . . ?
Ag38 S10 Ag37 75.17(7) . . ?
C11 S10 Ag1 108.8(5) . . ?
C11 S10 Ag1A 117.4(7) . . ?
C11 S10 Ag36 104.8(6) . . ?
C11 S10 Ag37 110.2(4) . . ?
C11 S10 Ag38 115.2(6) . . ?
Ag34 S11 Ag35 81.32(7) . . ?
Ag34 S11 Ag40 88.33(9) . 2_565 ?
Ag36 S11 Ag34 121.44(9) . . ?
Ag36 S11 Ag35 71.50(7) . . ?
Ag36 S11 Ag40 89.00(8) . 2_565 ?
Ag40 S11 Ag35 148.17(10) 2_565 . ?
C8 S11 Ag34 118.4(5) . . ?
C8 S11 Ag35 104.9(4) . . ?
C8 S11 Ag36 118.3(5) . . ?
C8 S11 Ag40 106.5(4) . 2_565 ?
Ag32 S12 Ag37 83.86(7) . . ?
Ag33 S12 Ag32 71.81(6) . . ?
Ag33 S12 Ag35 76.76(7) . . ?
Ag33 S12 Ag37 125.11(9) . . ?
Ag35 S12 Ag32 131.08(9) . . ?
Ag35 S12 Ag37 84.68(7) . . ?
C23 S12 Ag32 111.3(4) . . ?
C23 S12 Ag33 113.6(4) . . ?
C23 S12 Ag35 115.3(4) . . ?
C23 S12 Ag37 121.0(4) . . ?
Ag28 S13 Ag27 74.32(7) . . ?
Ag28 S13 Ag31 83.08(7) . . ?
Ag28 S13 Ag32 139.11(9) . . ?
Ag31 S13 Ag27 131.38(9) . . ?
Ag32 S13 Ag27 84.88(7) . . ?
Ag32 S13 Ag31 85.13(7) . . ?
C26 S13 Ag27 115.8(5) . . ?
C26 S13 Ag28 107.6(4) . . ?
C26 S13 Ag31 111.9(5) . . ?
C26 S13 Ag32 113.1(4) . . ?
Ag7 S14 Ag28 84.66(10) . . ?
Ag7A S14 Ag28 74.0(5) . . ?
Ag7A S14 Ag29 130.5(5) . . ?
Ag7A S14 Ag30 87.9(2) . . ?
Ag29 S14 Ag7 140.98(12) . . ?
Ag29 S14 Ag28 78.89(7) . . ?
Ag30 S14 Ag7 86.53(8) . . ?
Ag30 S14 Ag28 125.31(8) . . ?
Ag30 S14 Ag29 75.05(6) . . ?
C29 S14 Ag7 109.9(3) . . ?
C29 S14 Ag7A 120.6(6) . . ?
C29 S14 Ag28 121.6(4) . . ?
C29 S14 Ag29 108.8(3) . . ?
C29 S14 Ag30 112.1(3) . . ?
Ag17 S15 Ag16 75.32(6) . . ?
Ag17 S15 Ag29 134.57(9) . . ?
Ag18 S15 Ag16 136.63(9) . . ?
Ag18 S15 Ag17 82.14(7) . . ?
Ag18 S15 Ag29 73.85(6) . . ?
Ag29 S15 Ag16 96.53(7) . . ?
C35 S15 Ag16 111.2(3) . . ?
C35 S15 Ag17 113.4(3) . . ?
C35 S15 Ag18 111.7(3) . . ?
C35 S15 Ag29 111.1(3) . . ?
Ag2 S16 Ag3 73.60(9) . . ?
Ag2 S16 Ag16 96.54(7) . . ?
Ag3A S16 Ag2A 85.2(12) . . ?
Ag3A S16 Ag15 87.9(5) . . ?
Ag3A S16 Ag16 145.0(10) . . ?
Ag15 S16 Ag2 124.72(9) . . ?
Ag15 S16 Ag2A 134.97(17) . . ?
Ag15 S16 Ag3 85.72(11) . . ?
Ag15 S16 Ag16 78.65(7) . . ?
Ag16 S16 Ag2A 82.04(19) . . ?
Ag16 S16 Ag3 152.11(13) . . ?
C38 S16 Ag2 119.5(3) . . ?
C38 S16 Ag2A 109.3(3) . . ?
C38 S16 Ag3 102.8(3) . . ?
C38 S16 Ag3A 110.2(10) . . ?
C38 S16 Ag15 114.8(3) . . ?
C38 S16 Ag16 104.7(3) . . ?
Ag1A S17 Ag4A 89.0(8) 2_565 . ?
Ag4 S17 Ag1 88.8(2) . 2_565 ?
Ag4 S17 Ag15 135.20(11) . . ?
Ag4 S17 Ag17 91.57(8) . . ?
Ag15 S17 Ag1 76.95(9) . 2_565 ?
Ag15 S17 Ag1A 79.3(3) . 2_565 ?
Ag15 S17 Ag4A 147.1(4) . . ?
Ag15 S17 Ag17 73.43(6) . . ?
Ag17 S17 Ag1 137.9(2) . 2_565 ?
Ag17 S17 Ag1A 128.6(6) . 2_565 ?
Ag17 S17 Ag4A 91.1(2) . . ?
C41 S17 Ag1 106.5(5) . 2_565 ?
C41 S17 Ag1A 118.2(8) . 2_565 ?
C41 S17 Ag4 111.8(4) . . ?
C41 S17 Ag4A 99.6(6) . . ?
C41 S17 Ag15 113.0(4) . . ?
C41 S17 Ag17 112.4(3) . . ?
Ag18 S18 Ag19 82.25(8) . . ?
Ag18 S18 Ag21 127.27(9) . . ?
Ag18 S18 Ag30 74.31(7) . . ?
Ag19 S18 Ag21 82.29(7) . . ?
Ag30 S18 Ag19 133.03(9) . . ?
Ag30 S18 Ag21 80.64(7) . . ?
C32 S18 Ag18 113.2(5) . . ?
C32 S18 Ag19 115.5(4) . . ?
C32 S18 Ag21 119.0(5) . . ?
C32 S18 Ag30 111.1(4) . . ?
Ag7 S19 Ag26 83.81(7) . . ?
Ag7A S19 Ag26 83.4(2) . . ?
Ag7A S19 Ag27 68.0(3) . . ?
Ag25 S19 Ag7 132.30(12) . . ?
Ag25 S19 Ag7A 121.2(5) . . ?
Ag25 S19 Ag26 71.18(6) . . ?
Ag25 S19 Ag27 104.80(8) . . ?
Ag27 S19 Ag7 72.92(8) . . ?
Ag27 S19 Ag26 143.98(9) . . ?
C20 S19 Ag7 112.8(3) . . ?
C20 S19 Ag7A 125.1(6) . . ?
C20 S19 Ag25 112.5(3) . . ?
C20 S19 Ag26 104.7(3) . . ?
C20 S19 Ag27 109.5(3) . . ?
O37 S20 C61 107.7(7) . . ?
O37 S20 O38 115.3(6) . . ?
O38 S20 C61 101.0(6) . . ?
O39 S20 C61 103.0(6) . . ?
O39 S20 O37 113.8(5) . . ?
O39 S20 O38 114.1(6) . . ?
O34 S21 C62 101.6(5) . . ?
O34 S21 O35 117.2(7) . . ?
O34 S21 O36 114.7(6) . . ?
O35 S21 C62 102.4(5) . . ?
O36 S21 C62 106.4(5) . . ?
O36 S21 O35 112.4(5) . . ?
O40 S22 C71 102.8(5) . . ?
O41 S22 C71 102.5(5) . . ?
O41 S22 O40 114.0(5) . . ?
O42 S22 C71 103.6(6) . . ?
O42 S22 O40 115.5(6) . . ?
O42 S22 O41 115.9(5) . . ?
O52 S23 C65 103.8(10) . . ?
O52 S23 O53 106.2(11) . . ?
O53 S23 C65 100.2(9) . . ?
O54 S23 C65 114.6(10) . . ?
O54 S23 O52 118.5(11) . . ?
O54 S23 O53 111.5(11) . . ?
O46 S24 C64 107.1(8) . . ?
O46 S24 O47 112.1(9) . . ?
O47 S24 C64 98.0(11) . . ?
O48 S24 C64 116.0(10) . . ?
O48 S24 O46 117.3(9) . . ?
O48 S24 O47 104.8(9) . . ?
O43 S25 C67 103.9(6) . . ?
O44 S25 C67 104.3(7) . . ?
O44 S25 O43 114.1(6) . . ?
O44 S25 O45 113.7(7) . . ?
O45 S25 C67 103.7(6) . . ?
O45 S25 O43 115.2(6) . . ?
O49 S26 C63 104.4(9) . . ?
O49 S26 O50 117.7(12) . . ?
O49 S26 O51 123.0(11) . . ?
O50 S26 C63 102.2(7) . . ?
O50 S26 O51 106.0(8) . . ?
O51 S26 C63 99.9(8) . . ?
S1 O32A Ag23 151.1(14) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.751
_oxdiff_exptl_absorpt_empirical_full_min 0.723
