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#$Date: 2022-09-07 01:06:10 +0300 (Wed, 07 Sep 2022) $
#$Revision: 277691 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/75/1567594.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1567594
loop_
_publ_author_name
'Mandal, Sukhendu'
'Biswas, Sourav'
'Das, Anish Kumar'
'Manna, Surya Sekhar'
'Pathak, Biswarup'
_publ_section_title
;
 Template-Assisted Alloying of Atom-Precise Silver Nanocluster: A New
 Approach to Generate Cluster Functionality
;
_journal_name_full               'Chemical Science'
_journal_paper_doi               10.1039/D2SC04390D
_journal_year                    2022
_chemical_formula_sum            'C69 H118 Ag20 Cu0 F24 N4 O24 S10'
_chemical_formula_weight         4321.67
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2022-07-04 deposited with the CCDC.	2022-09-05 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 103.798(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.4136(17)
_cell_length_b                   30.794(3)
_cell_length_c                   28.051(3)
_cell_measurement_reflns_used    188717
_cell_measurement_temperature    150
_cell_measurement_theta_max      28.416
_cell_measurement_theta_min      0.998
_cell_volume                     12930(2)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker SAINT'
_computing_data_reduction        'Bruker APEX2'
_computing_molecular_graphics    'Mercury (Macrae et al. , 2008)'
_computing_publication_material  'WINZX (Farrugia, 2014) and PLATON(Spek, 2009)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      150
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1480
_diffrn_reflns_av_unetI/netI     0.1104
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       41
_diffrn_reflns_limit_k_min       -41
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_number            188717
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.416
_diffrn_reflns_theta_min         0.998
_exptl_absorpt_coefficient_mu    3.201
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.220
_exptl_crystal_description       block
_exptl_crystal_F_000             8272
_exptl_crystal_size_max          0.085
_exptl_crystal_size_mid          0.078
_exptl_crystal_size_min          0.048
_refine_diff_density_max         4.030
_refine_diff_density_min         -1.698
_refine_diff_density_rms         0.264
_refine_ls_extinction_coef       0.00030(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1338
_refine_ls_number_reflns         32294
_refine_ls_number_restraints     1580
_refine_ls_restrained_S_all      1.008
_refine_ls_R_factor_all          0.2141
_refine_ls_R_factor_gt           0.0938
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1203P)²+150.7932P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2318
_refine_ls_wR_factor_ref         0.2987
_reflns_Friedel_coverage         0.000
_reflns_number_gt                13751
_reflns_number_total             32294
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2sc04390d1.cif
_cod_data_source_block           shelx_CCDC1
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1567594
_shelx_shelxl_version_number     2018/3
_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.
;
_shelx_estimated_absorpt_t_min   0.773
_shelx_estimated_absorpt_t_max   0.862
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag01 Ag 0.83640(9) 0.43816(4) 0.79760(5) 0.0437(3) Uani 1 1 d . . . . .
Ag02 Ag 0.67305(8) 0.37778(4) 0.79090(5) 0.0423(3) Uani 1 1 d . . . . .
Ag03 Ag 0.65617(9) 0.13020(4) 0.70334(5) 0.0445(3) Uani 1 1 d . . . . .
Ag04 Ag 0.89994(8) 0.35707(4) 0.75883(5) 0.0432(3) Uani 1 1 d . . . . .
Ag05 Ag 0.75827(9) 0.21004(4) 0.83728(5) 0.0470(3) Uani 1 1 d . . . . .
Ag06 Ag 0.80801(8) 0.19462(4) 0.70856(5) 0.0445(3) Uani 1 1 d . . . . .
Ag07 Ag 0.51957(8) 0.19780(4) 0.63404(5) 0.0472(3) Uani 1 1 d . . . . .
Ag08 Ag 0.96572(8) 0.37211(4) 0.87487(5) 0.0470(3) Uani 1 1 d . . . . .
Ag09 Ag 0.57994(9) 0.21270(4) 0.74350(5) 0.0450(3) Uani 1 1 d . . . . .
Ag0A Ag 0.67003(9) 0.26485(4) 0.63166(5) 0.0484(3) Uani 1 1 d . . . . .
Ag0B Ag 0.66622(9) 0.44604(4) 0.71305(5) 0.0494(3) Uani 1 1 d . . . . .
Ag0C Ag 1.02141(9) 0.28027(4) 0.89394(5) 0.0501(4) Uani 1 1 d . . . . .
Ag0D Ag 0.81166(10) 0.30836(4) 0.86835(5) 0.0516(4) Uani 1 1 d . . . . .
Ag0E Ag 0.82190(9) 0.12591(4) 0.79525(6) 0.0534(4) Uani 1 1 d . . . . .
Ag0F Ag 0.96329(10) 0.25404(4) 0.78457(5) 0.0529(4) Uani 1 1 d . . . . .
Ag0G Ag 0.95548(10) 0.18314(5) 0.86248(5) 0.0538(4) Uani 1 1 d . . . . .
Ag0H Ag 0.71934(11) 0.36000(5) 0.66141(5) 0.0562(4) Uani 1 1 d . . . . .
Ag0I Ag 0.52429(10) 0.31739(5) 0.71786(6) 0.0621(4) Uani 1 1 d . . . . .
Ag0J Ag 0.46236(11) 0.28728(5) 0.60557(6) 0.0652(4) Uani 1 1 d . . . . .
Ag0K Ag 0.53104(12) 0.39912(6) 0.63285(6) 0.0721(5) Uani 1 1 d . . . . .
S00L S 0.6813(3) 0.18477(12) 0.63935(14) 0.0353(9) Uani 1 1 d . . . . .
S00M S 0.8015(3) 0.38776(13) 0.86093(14) 0.0368(9) Uani 1 1 d . . . . .
S00N S 0.6649(3) 0.15267(14) 0.79061(16) 0.0431(10) Uani 1 1 d D . . . .
S00O S 1.0250(2) 0.32386(13) 0.81759(15) 0.0361(9) Uani 1 1 d . . . . .
S00P S 0.5426(3) 0.39459(13) 0.72373(15) 0.0380(9) Uani 1 1 d . . . . .
S00Q S 0.9388(3) 0.17644(13) 0.77184(16) 0.0431(10) Uani 1 1 d . . . . .
S00R S 0.5909(3) 0.33339(14) 0.59874(15) 0.0438(10) Uani 1 1 d . . . . .
S00S S 0.8178(3) 0.41521(14) 0.70854(15) 0.0420(10) Uani 1 1 d D . . . .
S00T S 0.4581(3) 0.24969(14) 0.68604(17) 0.0453(10) Uani 1 1 d . . . . .
S00U S 0.8812(3) 0.24019(15) 0.90073(16) 0.0491(11) Uani 1 1 d . . . . .
O00V O 0.9957(8) 0.4503(4) 0.8507(4) 0.052(3) Uani 1 1 d . . . . .
O00W O 0.6877(9) 0.0580(4) 0.6961(5) 0.066(4) Uani 1 1 d . . . . .
O00X O 0.9989(9) 0.1230(4) 0.9065(5) 0.070(4) Uani 1 1 d . . . . .
O00Y O 0.6779(8) 0.4997(4) 0.7799(5) 0.065(4) Uani 1 1 d . . . . .
O010 O 0.8241(9) 0.5130(4) 0.7984(5) 0.068(4) Uani 1 1 d . . . . .
O011 O 1.0308(10) 0.3759(5) 0.9574(5) 0.072(4) Uani 1 1 d . . . . .
O012 O 0.4930(9) 0.1223(4) 0.6522(5) 0.067(4) Uani 1 1 d . . . . .
F013 F 0.7845(11) 0.5951(4) 0.8163(7) 0.125(5) Uani 1 1 d . . . . .
F014 F 0.6455(9) 0.5843(5) 0.7830(7) 0.128(6) Uani 1 1 d . . . . .
F015 F 0.7383(10) 0.5868(5) 0.7386(6) 0.109(5) Uani 1 1 d . . . . .
C016 C 0.4494(10) 0.4237(6) 0.7410(7) 0.046(4) Uani 1 1 d . . . . .
C017 C 0.7058(12) 0.1569(5) 0.5845(6) 0.042(3) Uani 1 1 d . . . . .
O018 O 0.8833(10) 0.0837(5) 0.8668(7) 0.102(5) Uani 1 1 d . . . . .
C019 C 0.7749(11) 0.4168(5) 0.9146(5) 0.037(3) Uani 1 1 d . . . . .
F01A F 0.7225(12) -0.0238(7) 0.6823(8) 0.064(6) Uiso 0.5 1 d D . P A 1
O01B O 1.0811(10) 0.3096(5) 0.9709(5) 0.079(4) Uani 1 1 d . . . . .
F01C F 0.5956(15) 0.5738(5) 0.6076(7) 0.162(8) Uani 1 1 d D . . B 1
O01D O 0.4309(10) 0.1831(5) 0.5581(5) 0.082(4) Uani 1 1 d . . . . .
O01E O 0.6207(11) 0.5041(4) 0.6615(6) 0.081(4) Uani 1 1 d . . . . .
F01H F 0.9855(11) 0.2455(6) 0.6184(6) 0.130(6) Uani 1 1 d . . . . .
C01I C 0.8366(12) 0.4575(6) 0.9262(6) 0.050(4) Uani 1 1 d . . . . .
H01A H 0.897402 0.448950 0.928580 0.075 Uiso 1 1 calc R U . . .
H01B H 0.831457 0.470026 0.956675 0.075 Uiso 1 1 calc R U . . .
H01C H 0.818906 0.478403 0.900313 0.075 Uiso 1 1 calc R U . . .
F01J F 1.0728(11) 0.0493(6) 0.9488(8) 0.156(7) Uani 1 1 d . . . . .
C01K C 1.0314(11) 0.1439(6) 0.7544(8) 0.058(4) Uani 1 1 d . . . . .
C01L C 0.7466(12) 0.5238(6) 0.7892(7) 0.050(4) Uani 1 1 d . . . . .
C01M C 0.6050(10) 0.1198(5) 0.8220(6) 0.056(5) Uiso 1 1 d D . . . .
F01N F 0.9464(15) 0.0469(6) 0.9659(7) 0.154(7) Uani 1 1 d . . . . .
C01O C 0.6768(11) 0.4301(6) 0.8989(7) 0.054(4) Uani 1 1 d . . . . .
H01D H 0.667853 0.448437 0.870512 0.081 Uiso 1 1 calc R U . . .
H01E H 0.660563 0.445535 0.925217 0.081 Uiso 1 1 calc R U . . .
H01F H 0.640341 0.404576 0.891182 0.081 Uiso 1 1 calc R U . . .
F01P F 0.9665(13) 0.0126(5) 0.9065(7) 0.130(5) Uani 1 1 d . . . . .
C01Q C 0.8794(11) 0.4445(6) 0.6772(6) 0.067(6) Uiso 1 1 d D . . . .
C01R C 0.7645(12) 0.0460(5) 0.7154(8) 0.057(5) Uani 1 1 d D . . . .
N01S N 0.4050(10) 0.0640(5) 0.6206(7) 0.063(4) Uani 1 1 d . . . . .
C01U C 1.1413(10) 0.3383(6) 0.8160(7) 0.047(4) Uani 1 1 d . . . . .
N01V N 1.0596(12) 0.5028(6) 0.9043(6) 0.070(4) Uani 1 1 d . . . . .
C01W C 0.7961(14) 0.3858(6) 0.9584(7) 0.064(5) Uani 1 1 d . . . . .
H01G H 0.759584 0.360322 0.950909 0.096 Uiso 1 1 calc R U . . .
H01H H 0.783989 0.399985 0.986633 0.096 Uiso 1 1 calc R U . . .
H01I H 0.857955 0.377745 0.965192 0.096 Uiso 1 1 calc R U . . .
N01X N 0.5905(14) -0.0435(7) 0.5409(7) 0.084(5) Uani 1 1 d . . . . .
F01Y F 1.0371(10) 0.2780(10) 0.6827(6) 0.199(11) Uani 1 1 d . . . . .
C01Z C 0.3646(12) 0.4001(7) 0.7185(9) 0.078(7) Uani 1 1 d . . . . .
H01J H 0.365771 0.390839 0.685986 0.117 Uiso 1 1 calc R U . . .
H01K H 0.314652 0.419162 0.716869 0.117 Uiso 1 1 calc R U . . .
H01L H 0.358979 0.375252 0.738176 0.117 Uiso 1 1 calc R U . . .
O020 O 0.5736(14) 0.4649(6) 0.5950(6) 0.111(6) Uani 1 1 d . . . . .
F022 F 1.0255(14) 0.3520(7) 1.0593(6) 0.154(7) Uani 1 1 d . . . . .
C023 C 0.7868(9) 0.0031(5) 0.7083(6) 0.071(6) Uiso 1 1 d D . . . .
C024 C 0.7306(14) 0.5721(7) 0.7816(9) 0.071(4) Uani 1 1 d . . . . .
C025 C 1.0104(13) 0.4869(6) 0.8652(7) 0.059(5) Uani 1 1 d . . . . .
H025 H 0.979625 0.507729 0.843657 0.070 Uiso 1 1 calc R U . . .
C026 C 0.4689(14) 0.0331(6) 0.6444(9) 0.079(7) Uani 1 1 d . . . . .
H02A H 0.449804 0.020541 0.671555 0.119 Uiso 1 1 calc R U . . .
H02B H 0.525577 0.047121 0.656247 0.119 Uiso 1 1 calc R U . . .
H02C H 0.474671 0.010637 0.621625 0.119 Uiso 1 1 calc R U . . .
O027 O 0.8216(11) 0.2868(8) 0.6137(7) 0.125(8) Uani 1 1 d . . . . .
C028 C 0.5945(17) 0.4989(8) 0.6181(9) 0.079(6) Uani 1 1 d D . . . .
O029 O 0.6539(17) 0.0111(6) 0.5057(7) 0.134(8) Uani 1 1 d . . . . .
C02A C 0.5986(14) 0.3448(6) 0.5348(7) 0.058(4) Uani 1 1 d . . . . .
C02B C 0.3147(13) 0.0500(7) 0.5924(8) 0.076(6) Uani 1 1 d . . . . .
H02D H 0.320614 0.026238 0.571274 0.114 Uiso 1 1 calc R U . . .
H02E H 0.285377 0.073827 0.573006 0.114 Uiso 1 1 calc R U . . .
H02F H 0.279894 0.040929 0.614836 0.114 Uiso 1 1 calc R U . . .
F02D F 1.1171(14) 0.3954(7) 1.0485(6) 0.154(7) Uani 1 1 d . . . . .
O02E O 0.8236(9) 0.0672(5) 0.7431(8) 0.127(7) Uani 1 1 d . . . . .
F02F F 0.9923(14) 0.3114(7) 0.6160(9) 0.169(8) Uani 1 1 d . . . . .
F02G F 0.8017(16) -0.0224(8) 0.7507(7) 0.086(7) Uiso 0.5 1 d D . P A 1
C02H C 0.4431(14) 0.4675(7) 0.7209(10) 0.091(7) Uani 1 1 d . . . . .
H02G H 0.497721 0.482784 0.734219 0.137 Uiso 1 1 calc R U . . .
H02H H 0.394303 0.482479 0.729477 0.137 Uiso 1 1 calc R U . . .
H02I H 0.432970 0.466010 0.685854 0.137 Uiso 1 1 calc R U . . .
C02I C 1.1101(13) 0.1750(7) 0.7592(10) 0.093(8) Uani 1 1 d . . . . .
H02J H 1.120625 0.189694 0.790180 0.140 Uiso 1 1 calc R U . . .
H02K H 1.096756 0.195907 0.733065 0.140 Uiso 1 1 calc R U . . .
H02L H 1.162464 0.158871 0.757193 0.140 Uiso 1 1 calc R U . . .
C02J C 0.8755(17) 0.2254(7) 0.9634(7) 0.072(5) Uani 1 1 d . . . . .
C02L C 0.8031(13) 0.1611(8) 0.5885(8) 0.079(7) Uani 1 1 d . . . . .
H02M H 0.817055 0.190802 0.582837 0.119 Uiso 1 1 calc R U . . .
H02N H 0.819874 0.142877 0.564418 0.119 Uiso 1 1 calc R U . . .
H02O H 0.835289 0.152478 0.620703 0.119 Uiso 1 1 calc R U . . .
C02M C 0.9848(19) 0.0497(9) 0.9313(11) 0.094(5) Uani 1 1 d . . . . .
O02N O 0.8752(12) 0.2774(8) 0.6931(7) 0.125(8) Uani 1 1 d . . . . .
O02O O 1.1293(13) 0.2137(6) 0.8996(7) 0.113(7) Uani 1 1 d . . . . .
C02P C 0.612(2) 0.3009(7) 0.5106(8) 0.097(8) Uani 1 1 d . . . . .
H02P H 0.621224 0.306016 0.478357 0.145 Uiso 1 1 calc R U . . .
H02Q H 0.560776 0.282893 0.508362 0.145 Uiso 1 1 calc R U . . .
H02R H 0.664059 0.286514 0.530257 0.145 Uiso 1 1 calc R U . . .
C02Q C 0.9521(13) 0.0879(7) 0.8956(9) 0.070(5) Uani 1 1 d . . . . .
C02R C 0.4214(13) 0.1059(6) 0.6249(8) 0.062(5) Uani 1 1 d . . . . .
H02S H 0.378674 0.124779 0.607077 0.074 Uiso 1 1 calc R U . . .
C02S C 0.830(2) 0.1837(8) 0.9629(9) 0.101(8) Uani 1 1 d . . . . .
H02T H 0.766749 0.188218 0.955160 0.151 Uiso 1 1 calc R U . . .
H02U H 0.848663 0.170326 0.994649 0.151 Uiso 1 1 calc R U . . .
H02V H 0.845403 0.165125 0.938654 0.151 Uiso 1 1 calc R U . . .
O02T O 0.3880(11) 0.2505(6) 0.5331(6) 0.090(5) Uani 1 1 d . . . . .
C02U C 0.3428(11) 0.2379(7) 0.6926(8) 0.063(5) Uani 1 1 d . . . . .
C02V C 0.682(2) 0.1113(6) 0.5882(9) 0.103(9) Uani 1 1 d . . . . .
H02W H 0.697377 0.102535 0.621994 0.154 Uiso 1 1 calc R U . . .
H02X H 0.713276 0.093740 0.569689 0.154 Uiso 1 1 calc R U . . .
H02Y H 0.618516 0.107838 0.575348 0.154 Uiso 1 1 calc R U . . .
C02W C 0.9758(15) 0.2790(10) 0.6435(9) 0.083(5) Uani 1 1 d . . . . .
C02Y C 0.635(2) -0.0080(9) 0.5411(11) 0.104(9) Uani 1 1 d . . . . .
H02 H 0.656498 0.004942 0.571636 0.124 Uiso 1 1 calc R U . . .
C02Z C 1.0477(17) 0.1048(8) 0.7874(12) 0.114(9) Uani 1 1 d . . . . .
H02Z H 1.071713 0.081731 0.771422 0.170 Uiso 1 1 calc R U . . .
HA H 0.992418 0.095587 0.794219 0.170 Uiso 1 1 calc R U . . .
HB H 1.089443 0.112123 0.817570 0.170 Uiso 1 1 calc R U . . .
F030 F 0.4952(19) 0.5403(7) 0.5579(10) 0.259(12) Uani 1 1 d D . . C 1
C031 C 0.8829(13) 0.2836(7) 0.6512(8) 0.061(5) Uani 1 1 d . . . . .
F032 F 0.2879(19) 0.2200(8) 0.4485(10) 0.107(10) Uiso 0.5 1 d D . P D 1
C033 C 0.9999(18) 0.1295(11) 0.7020(10) 0.134(11) Uani 1 1 d . . . . .
H03A H 0.983012 0.154389 0.681328 0.200 Uiso 1 1 calc R U . . .
H03B H 0.949304 0.110576 0.698965 0.200 Uiso 1 1 calc R U . . .
H03C H 1.047172 0.114220 0.692303 0.200 Uiso 1 1 calc R U . . .
C034 C 1.1094(16) 0.4702(7) 0.9404(8) 0.090(7) Uani 1 1 d . . . . .
H03D H 1.074089 0.462420 0.963028 0.135 Uiso 1 1 calc R U . . .
H03E H 1.165018 0.482467 0.958075 0.135 Uiso 1 1 calc R U . . .
H03F H 1.120940 0.444698 0.923127 0.135 Uiso 1 1 calc R U . . .
C035 C 1.0672(14) 0.3454(9) 0.9821(8) 0.071(5) Uani 1 1 d . . . . .
F037 F 0.3914(14) 0.1719(8) 0.4574(8) 0.075(7) Uiso 0.5 1 d D . P D 1
F038 F 0.2794(16) 0.1621(8) 0.4923(10) 0.082(8) Uiso 0.5 1 d D . P D 1
N039 N 0.2987(18) 0.4803(9) 0.5580(9) 0.127(9) Uani 1 1 d . . . . .
C03A C 0.4645(16) 0.4212(11) 0.7958(8) 0.116(10) Uani 1 1 d . . . . .
H03G H 0.472618 0.391378 0.806042 0.174 Uiso 1 1 calc R U . . .
H03H H 0.413743 0.432962 0.805551 0.174 Uiso 1 1 calc R U . . .
H03I H 0.516925 0.437497 0.810896 0.174 Uiso 1 1 calc R U . . .
F03B F 1.1560(17) 0.3331(9) 1.0622(6) 0.206(10) Uani 1 1 d . . . . .
C03C C 0.552(3) -0.0653(12) 0.4941(12) 0.166(15) Uani 1 1 d . . . . .
H3 H 0.519021 -0.044583 0.471053 0.249 Uiso 1 1 calc R U . . .
HC H 0.511734 -0.087865 0.499263 0.249 Uiso 1 1 calc R U . . .
HD H 0.598393 -0.077795 0.481249 0.249 Uiso 1 1 calc R U . . .
O03E O 0.3843(14) 0.4259(8) 0.5958(7) 0.141(8) Uani 1 1 d . . . . .
C03F C 0.816(2) 0.4777(11) 0.6388(12) 0.051(9) Uiso 0.5 1 d D . P E 1
H03J H 0.785866 0.496944 0.656543 0.076 Uiso 0.5 1 calc R U P E 1
H03K H 0.772441 0.461355 0.615470 0.076 Uiso 0.5 1 calc R U P E 1
H03L H 0.851948 0.494295 0.621944 0.076 Uiso 0.5 1 calc R U P E 1
C C 0.3723(19) 0.4561(9) 0.5658(10) 0.103(8) Uani 1 1 d . . . . .
H H 0.415348 0.461973 0.548458 0.123 Uiso 1 1 calc R U . . .
C03I C 1.1357(16) 0.3635(10) 0.7696(10) 0.115(10) Uani 1 1 d . . . . .
H03M H 1.120573 0.393100 0.774565 0.173 Uiso 1 1 calc R U . . .
H03N H 1.090527 0.350984 0.743635 0.173 Uiso 1 1 calc R U . . .
H03O H 1.192287 0.362436 0.761036 0.173 Uiso 1 1 calc R U . . .
C03K C 0.861(3) 0.2611(8) 0.9913(9) 0.143(13) Uani 1 1 d . . . . .
H03P H 0.904829 0.283022 0.990654 0.214 Uiso 1 1 calc R U . . .
H03Q H 0.865170 0.252146 1.024528 0.214 Uiso 1 1 calc R U . . .
H03R H 0.802274 0.272712 0.977722 0.214 Uiso 1 1 calc R U . . .
C03L C 0.6521(19) 0.1801(9) 0.5399(8) 0.108(9) Uani 1 1 d . . . . .
H03S H 0.589905 0.178943 0.539917 0.162 Uiso 1 1 calc R U . . .
H03T H 0.661362 0.166359 0.510831 0.162 Uiso 1 1 calc R U . . .
H03U H 0.670955 0.209889 0.540610 0.162 Uiso 1 1 calc R U . . .
C03M C 1.1817(15) 0.3645(9) 0.8572(10) 0.108(9) Uani 1 1 d . . . . .
H03V H 1.242941 0.369893 0.857077 0.162 Uiso 1 1 calc R U . . .
H03W H 1.178932 0.349647 0.886933 0.162 Uiso 1 1 calc R U . . .
H03X H 1.150305 0.391613 0.855477 0.162 Uiso 1 1 calc R U . . .
C03N C 1.071(2) 0.5462(8) 0.9186(11) 0.120(10) Uani 1 1 d . . . . .
H03Y H 1.043667 0.564547 0.891443 0.180 Uiso 1 1 calc R U . . .
HE H 1.133221 0.552770 0.929111 0.180 Uiso 1 1 calc R U . . .
HF H 1.042658 0.551277 0.945263 0.180 Uiso 1 1 calc R U . . .
C03O C 0.6728(18) 0.3723(8) 0.5354(8) 0.096(7) Uani 1 1 d . . . . .
H03Z H 0.726276 0.355182 0.540795 0.144 Uiso 1 1 calc R U . . .
HG H 0.678163 0.393281 0.561224 0.144 Uiso 1 1 calc R U . . .
HH H 0.664057 0.387059 0.504421 0.144 Uiso 1 1 calc R U . . .
C03Q C 0.3924(13) 0.2109(9) 0.5316(9) 0.074(6) Uani 1 1 d D . . . .
F03R F 0.627(2) 0.5357(5) 0.5528(8) 0.229(12) Uani 1 1 d D . . F 1
C03S C 0.5796(18) -0.0638(10) 0.5869(10) 0.118(10) Uani 1 1 d . . . . .
H4 H 0.625888 -0.053706 0.613878 0.177 Uiso 1 1 calc R U . . .
HI H 0.583451 -0.094800 0.584331 0.177 Uiso 1 1 calc R U . . .
HJ H 0.522362 -0.056089 0.592281 0.177 Uiso 1 1 calc R U . . .
C03T C 1.091(2) 0.3583(11) 1.0382(10) 0.104(6) Uani 1 1 d . . . . .
C03U C 0.955(2) 0.4739(11) 0.7131(11) 0.049(9) Uiso 0.5 1 d D . P E 1
H03 H 0.992073 0.487498 0.694190 0.073 Uiso 0.5 1 calc R U P E 1
HK H 0.991821 0.455717 0.737815 0.073 Uiso 0.5 1 calc R U P E 1
HL H 0.927157 0.495757 0.728590 0.073 Uiso 0.5 1 calc R U P E 1
C03V C 0.350(2) 0.2161(16) 0.7401(14) 0.200(17) Uani 1 1 d . . . . .
H1 H 0.389469 0.191497 0.742342 0.300 Uiso 1 1 calc R U . . .
HM H 0.292494 0.206577 0.742723 0.300 Uiso 1 1 calc R U . . .
HN H 0.374483 0.236042 0.766224 0.300 Uiso 1 1 calc R U . . .
C040 C 1.1953(18) 0.2985(9) 0.8142(13) 0.126(10) Uani 1 1 d . . . . .
H04A H 1.182693 0.287669 0.781155 0.189 Uiso 1 1 calc R U . . .
H04B H 1.180327 0.276813 0.835432 0.189 Uiso 1 1 calc R U . . .
H04C H 1.257622 0.305474 0.824776 0.189 Uiso 1 1 calc R U . . .
C042 C 0.5138(19) 0.3670(11) 0.5108(9) 0.124(10) Uani 1 1 d . . . . .
H04D H 0.517396 0.377408 0.479099 0.186 Uiso 1 1 calc R U . . .
H04E H 0.504117 0.391074 0.530726 0.186 Uiso 1 1 calc R U . . .
H04F H 0.465021 0.346923 0.507195 0.186 Uiso 1 1 calc R U . . .
C044 C 0.971(2) 0.2090(10) 0.9900(11) 0.129(10) Uani 1 1 d . . . . .
H04G H 0.985758 0.183699 0.973479 0.194 Uiso 1 1 calc R U . . .
H04H H 0.972153 0.201771 1.023436 0.194 Uiso 1 1 calc R U . . .
H04I H 1.014091 0.231429 0.989404 0.194 Uiso 1 1 calc R U . . .
C21 C 0.278(2) 0.5160(9) 0.5209(12) 0.145(13) Uani 1 1 d . . . . .
H21A H 0.332571 0.529304 0.517617 0.218 Uiso 1 1 calc R U . . .
H21B H 0.241086 0.537358 0.531354 0.218 Uiso 1 1 calc R U . . .
H21C H 0.246887 0.504244 0.489779 0.218 Uiso 1 1 calc R U . . .
C22 C 0.2973(19) 0.2767(11) 0.6954(17) 0.190(17) Uani 1 1 d . . . . .
H22A H 0.336588 0.296783 0.716315 0.285 Uiso 1 1 calc R U . . .
H22B H 0.246537 0.271081 0.708757 0.285 Uiso 1 1 calc R U . . .
H22C H 0.277553 0.289023 0.663209 0.285 Uiso 1 1 calc R U . . .
C32 C 0.305(2) 0.2054(13) 0.6602(14) 0.209(18) Uani 1 1 d . . . . .
H32A H 0.282888 0.217625 0.628071 0.314 Uiso 1 1 calc R U . . .
H32B H 0.256399 0.192388 0.671032 0.314 Uiso 1 1 calc R U . . .
H32C H 0.349127 0.183789 0.658982 0.314 Uiso 1 1 calc R U . . .
C37 C 0.227(2) 0.4760(16) 0.5871(17) 0.23(3) Uani 1 1 d . . . . .
H37A H 0.217320 0.445895 0.592921 0.350 Uiso 1 1 calc R U . . .
H37B H 0.172113 0.488695 0.568729 0.350 Uiso 1 1 calc R U . . .
H37C H 0.246006 0.490861 0.617946 0.350 Uiso 1 1 calc R U . . .
C26 C 0.5785(15) 0.5341(6) 0.5866(7) 0.141(8) Uani 1 1 d D . . . .
C43 C 0.671(3) 0.0790(12) 0.8494(17) 0.111(19) Uiso 0.5 1 d D . P G 1
H43A H 0.710782 0.089481 0.879013 0.167 Uiso 0.5 1 calc R U P G 1
H43B H 0.706010 0.068332 0.827615 0.167 Uiso 0.5 1 calc R U P G 1
H43C H 0.635242 0.055925 0.857222 0.167 Uiso 0.5 1 calc R U P G 1
C83 C 0.569(4) 0.145(2) 0.8667(16) 0.18(3) Uiso 0.5 1 d D . P G 1
H83A H 0.597845 0.132762 0.897892 0.272 Uiso 0.5 1 calc R U P G 1
H83B H 0.505415 0.141350 0.861250 0.272 Uiso 0.5 1 calc R U P G 1
H83C H 0.582686 0.175426 0.866508 0.272 Uiso 0.5 1 calc R U P G 1
C86 C 0.5169(19) 0.0974(12) 0.7836(12) 0.065(11) Uiso 0.5 1 d D . P G 1
H86A H 0.487067 0.078279 0.801503 0.097 Uiso 0.5 1 calc R U P G 1
H86B H 0.536452 0.081289 0.758802 0.097 Uiso 0.5 1 calc R U P G 1
H86C H 0.476377 0.119850 0.768352 0.097 Uiso 0.5 1 calc R U P G 1
F110 F 0.8628(12) -0.0037(8) 0.6945(9) 0.071(7) Uiso 0.5 1 d D . P A 1
C28 C 0.933(2) 0.4154(12) 0.6447(14) 0.066(11) Uiso 0.5 1 d D . P E 1
H28A H 0.973900 0.433628 0.632739 0.099 Uiso 0.5 1 calc R U P E 1
H28B H 0.891271 0.402622 0.617378 0.099 Uiso 0.5 1 calc R U P E 1
H28C H 0.966021 0.392783 0.664797 0.099 Uiso 0.5 1 calc R U P E 1
F22 F 0.519(2) 0.2607(9) 0.9096(11) 0.117(11) Uiso 0.5 1 d D . P H 1
F23 F 0.4427(18) 0.2920(13) 0.8436(11) 0.136(13) Uiso 0.5 1 d D . P H 1
C24 C 0.5899(10) 0.2843(6) 0.8489(6) 0.037(4) Uiso 1 1 d D . . . .
F35 F 0.532(2) 0.3297(8) 0.8988(12) 0.119(11) Uiso 0.5 1 d D . P H 1
C107 C 0.5249(12) 0.2902(6) 0.8750(7) 0.092(8) Uiso 1 1 d D . . . .
C1 C 0.3408(13) 0.1943(6) 0.4859(7) 0.146(13) Uiso 1 1 d D . . . .
O8 O 0.6834(14) 0.3032(7) 0.7179(8) 0.128(7) Uiso 1 1 d . . . . .
C9 C 0.7419(8) 0.2864(4) 0.7508(5) 0.023(3) Uiso 1 1 d . . . . .
O65 O 0.7983(14) 0.3047(7) 0.7796(8) 0.127(7) Uiso 1 1 d . . . . .
O2 O 0.7297(11) 0.2466(6) 0.7536(6) 0.098(5) Uiso 1 1 d . . . . .
F01B F 0.775(2) -0.0053(11) 0.6585(7) 0.133(12) Uiso 0.5 1 d D . P A 2
F02H F 0.7397(16) -0.0299(7) 0.7200(10) 0.091(8) Uiso 0.5 1 d D . P A 2
F1 F 0.8740(11) -0.0085(8) 0.7228(10) 0.079(7) Uiso 0.5 1 d D . P A 2
C86A C 0.5015(19) 0.1406(14) 0.8149(16) 0.098(16) Uiso 0.5 1 d D . P G 2
H86D H 0.466330 0.121495 0.829868 0.146 Uiso 0.5 1 calc R U P G 2
H86E H 0.473861 0.143463 0.780600 0.146 Uiso 0.5 1 calc R U P G 2
H86F H 0.505250 0.168569 0.830355 0.146 Uiso 0.5 1 calc R U P G 2
C83A C 0.650(3) 0.1189(13) 0.8821(9) 0.073(12) Uiso 0.5 1 d D . P G 2
H83D H 0.634232 0.145061 0.896729 0.110 Uiso 0.5 1 calc R U P G 2
H83E H 0.713772 0.117005 0.887837 0.110 Uiso 0.5 1 calc R U P G 2
H83F H 0.627789 0.094252 0.896423 0.110 Uiso 0.5 1 calc R U P G 2
C43A C 0.592(3) 0.0691(10) 0.8001(17) 0.12(2) Uiso 0.5 1 d D . P G 2
H43D H 0.649220 0.054633 0.807630 0.177 Uiso 0.5 1 calc R U P G 2
H43E H 0.569383 0.069943 0.765139 0.177 Uiso 0.5 1 calc R U P G 2
H43F H 0.551497 0.053704 0.814896 0.177 Uiso 0.5 1 calc R U P G 2
C28A C 0.9868(19) 0.4341(19) 0.688(2) 0.13(2) Uiso 0.5 1 d D . P E 2
H28D H 1.017770 0.459614 0.681166 0.191 Uiso 0.5 1 calc R U P E 2
H28E H 0.996529 0.410901 0.666760 0.191 Uiso 0.5 1 calc R U P E 2
H28F H 1.008793 0.425734 0.721427 0.191 Uiso 0.5 1 calc R U P E 2
C2 C 0.873(5) 0.4971(10) 0.685(4) 0.22(4) Uiso 0.5 1 d D . P E 2
H2A H 0.856591 0.511096 0.653432 0.335 Uiso 0.5 1 calc R U P E 2
H2B H 0.929812 0.507887 0.702830 0.335 Uiso 0.5 1 calc R U P E 2
H2C H 0.828574 0.503169 0.702903 0.335 Uiso 0.5 1 calc R U P E 2
C03G C 0.836(3) 0.4501(18) 0.6183(10) 0.097(16) Uiso 0.5 1 d D . P E 2
H2 H 0.775085 0.459365 0.613099 0.146 Uiso 0.5 1 calc R U P E 2
HO H 0.838487 0.422880 0.602060 0.146 Uiso 0.5 1 calc R U P E 2
HP H 0.869446 0.471506 0.605211 0.146 Uiso 0.5 1 calc R U P E 2
O49A O 0.582(5) 0.305(2) 0.8046(16) 0.24(3) Uiso 0.5 1 d D . P I 2
O41 O 0.599(3) 0.2592(14) 0.8306(15) 0.113(12) Uiso 0.5 1 d . . P I .
O68 O 0.632(3) 0.3081(17) 0.837(2) 0.143(16) Uiso 0.5 1 d . . P I .
F22A F 0.482(3) 0.2518(9) 0.8787(18) 0.19(2) Uiso 0.5 1 d D . P H 2
F23A F 0.455(2) 0.3183(11) 0.8592(13) 0.131(12) Uiso 0.5 1 d D . P H 2
F35A F 0.554(3) 0.3003(15) 0.9239(10) 0.177(17) Uiso 0.5 1 d D . P H 2
F0 F 0.373(3) 0.1999(15) 0.4431(14) 0.22(2) Uiso 0.5 1 d D . P D 2
F2 F 0.2590(19) 0.2177(10) 0.4712(15) 0.134(14) Uiso 0.5 1 d D . P D 2
F3 F 0.309(2) 0.1513(7) 0.4807(14) 0.130(14) Uiso 0.5 1 d D . P D 2
O22 O 0.659(3) 0.2660(16) 0.8755(18) 0.146(16) Uiso 0.5 1 d . . P I .
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'
Cu Cu 0.3201 1.2651 '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'
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'
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
O010 Ag01 S00M 125.2(4) . . ?
O010 Ag01 S00S 107.2(4) . . ?
S00M Ag01 S00S 121.96(14) . . ?
O010 Ag01 O00V 85.3(4) . . ?
S00M Ag01 O00V 90.9(3) . . ?
S00S Ag01 O00V 118.4(3) . . ?
O010 Ag01 Ag04 150.8(4) . . ?
S00M Ag01 Ag04 83.39(10) . . ?
S00S Ag01 Ag04 51.64(10) . . ?
O00V Ag01 Ag04 89.0(3) . . ?
O010 Ag01 Ag0B 82.7(3) . . ?
S00M Ag01 Ag0B 107.73(11) . . ?
S00S Ag01 Ag0B 52.69(10) . . ?
O00V Ag01 Ag0B 161.3(3) . . ?
Ag04 Ag01 Ag0B 94.49(5) . . ?
O010 Ag01 Ag02 122.1(3) . . ?
S00M Ag01 Ag02 50.52(10) . . ?
S00S Ag01 Ag02 82.78(10) . . ?
O00V Ag01 Ag02 140.4(3) . . ?
Ag04 Ag01 Ag02 78.94(5) . . ?
Ag0B Ag01 Ag02 58.22(4) . . ?
O010 Ag01 Ag08 130.5(4) . . ?
S00M Ag01 Ag08 49.33(10) . . ?
S00S Ag01 Ag08 112.64(11) . . ?
O00V Ag01 Ag08 50.4(3) . . ?
Ag04 Ag01 Ag08 61.35(4) . . ?
Ag0B Ag01 Ag08 145.59(5) . . ?
Ag02 Ag01 Ag08 91.43(5) . . ?
S00M Ag02 S00P 160.55(15) . . ?
S00M Ag02 Ag0B 112.02(11) . . ?
S00P Ag02 Ag0B 54.38(10) . . ?
S00M Ag02 Ag01 52.24(10) . . ?
S00P Ag02 Ag01 115.07(11) . . ?
Ag0B Ag02 Ag01 60.86(4) . . ?
S00M Ag02 Ag0I 152.27(11) . . ?
S00P Ag02 Ag0I 46.87(10) . . ?
Ag0B Ag02 Ag0I 92.55(5) . . ?
Ag01 Ag02 Ag0I 144.88(6) . . ?
O00W Ag03 S00N 112.9(4) . . ?
O00W Ag03 S00L 120.3(4) . . ?
S00N Ag03 S00L 121.38(14) . . ?
O00W Ag03 O012 93.3(4) . . ?
S00N Ag03 O012 112.6(3) . . ?
S00L Ag03 O012 87.8(3) . . ?
O00W Ag03 Ag06 117.3(3) . . ?
S00N Ag03 Ag06 84.96(10) . . ?
S00L Ag03 Ag06 50.34(10) . . ?
O012 Ag03 Ag06 136.1(3) . . ?
O00W Ag03 Ag09 157.9(4) . . ?
S00N Ag03 Ag09 50.37(10) . . ?
S00L Ag03 Ag09 81.44(9) . . ?
O012 Ag03 Ag09 82.9(3) . . ?
Ag06 Ag03 Ag09 78.66(5) . . ?
O00W Ag03 Ag0E 83.4(3) . . ?
S00N Ag03 Ag0E 51.30(10) . . ?
S00L Ag03 Ag0E 111.79(10) . . ?
O012 Ag03 Ag0E 159.0(3) . . ?
Ag06 Ag03 Ag0E 61.77(4) . . ?
Ag09 Ag03 Ag0E 92.30(5) . . ?
O00W Ag03 Ag07 133.4(4) . . ?
S00N Ag03 Ag07 106.37(11) . . ?
S00L Ag03 Ag07 49.03(9) . . ?
O012 Ag03 Ag07 47.6(3) . . ?
Ag06 Ag03 Ag07 89.56(5) . . ?
Ag09 Ag03 Ag07 56.58(4) . . ?
Ag0E Ag03 Ag07 142.51(5) . . ?
O65 Ag04 S00S 110.6(5) . . ?
O65 Ag04 S00O 90.6(5) . . ?
S00S Ag04 S00O 156.25(15) . . ?
O65 Ag04 Ag01 100.5(5) . . ?
S00S Ag04 Ag01 54.94(11) . . ?
S00O Ag04 Ag01 112.31(11) . . ?
O65 Ag04 Ag08 85.3(5) . . ?
S00S Ag04 Ag08 118.45(12) . . ?
S00O Ag04 Ag08 50.73(10) . . ?
Ag01 Ag04 Ag08 63.90(4) . . ?
O65 Ag04 Ag0F 59.2(5) . . ?
S00S Ag04 Ag0F 154.85(12) . . ?
S00O Ag04 Ag0F 46.74(10) . . ?
Ag01 Ag04 Ag0F 145.05(6) . . ?
Ag08 Ag04 Ag0F 84.98(4) . . ?
S00N Ag05 S00U 156.12(16) . . ?
S00N Ag05 O2 82.9(4) . . ?
S00U Ag05 O2 115.8(4) . . ?
S00N Ag05 Ag0G 110.62(11) . . ?
S00U Ag05 Ag0G 51.89(12) . . ?
O2 Ag05 Ag0G 106.0(4) . . ?
S00N Ag05 Ag0E 52.67(11) . . ?
S00U Ag05 Ag0E 109.42(12) . . ?
O2 Ag05 Ag0E 91.1(4) . . ?
Ag0G Ag05 Ag0E 58.39(4) . . ?
S00N Ag05 Ag0D 155.03(12) . . ?
S00U Ag05 Ag0D 48.75(11) . . ?
O2 Ag05 Ag0D 79.0(4) . . ?
Ag0G Ag05 Ag0D 90.94(5) . . ?
Ag0E Ag05 Ag0D 144.01(6) . . ?
S00N Ag05 Ag09 47.56(11) . . ?
S00U Ag05 Ag09 156.32(12) . . ?
O2 Ag05 Ag09 48.0(4) . . ?
Ag0G Ag05 Ag09 140.98(6) . . ?
Ag0E Ag05 Ag09 89.80(5) . . ?
Ag0D Ag05 Ag09 107.61(5) . . ?
S00Q Ag06 S00L 158.93(15) . . ?
S00Q Ag06 O2 101.2(4) . . ?
S00L Ag06 O2 95.2(4) . . ?
S00Q Ag06 Ag03 112.46(12) . . ?
S00L Ag06 Ag03 54.28(10) . . ?
O2 Ag06 Ag03 89.1(4) . . ?
S00Q Ag06 Ag0E 52.65(11) . . ?
S00L Ag06 Ag0E 114.98(10) . . ?
O2 Ag06 Ag0E 89.6(4) . . ?
Ag03 Ag06 Ag0E 61.04(4) . . ?
S00Q Ag06 Ag0F 46.58(10) . . ?
S00L Ag06 Ag0F 153.77(11) . . ?
O2 Ag06 Ag0F 71.8(4) . . ?
Ag03 Ag06 Ag0F 144.29(6) . . ?
Ag0E Ag06 Ag0F 88.24(5) . . ?
O01D Ag07 O012 85.0(5) . . ?
O01D Ag07 S00L 113.0(4) . . ?
O012 Ag07 S00L 92.8(3) . . ?
O01D Ag07 S00T 116.4(4) . . ?
O012 Ag07 S00T 112.5(4) . . ?
S00L Ag07 S00T 125.51(14) . . ?
O01D Ag07 Ag0J 81.9(4) . . ?
O012 Ag07 Ag0J 153.6(3) . . ?
S00L Ag07 Ag0J 113.40(10) . . ?
S00T Ag07 Ag0J 55.18(12) . . ?
O01D Ag07 Ag09 161.3(4) . . ?
O012 Ag07 Ag09 87.7(3) . . ?
S00L Ag07 Ag09 84.41(10) . . ?
S00T Ag07 Ag09 51.50(11) . . ?
Ag0J Ag07 Ag09 97.65(6) . . ?
O01D Ag07 Ag0A 113.2(4) . . ?
O012 Ag07 Ag0A 143.1(3) . . ?
S00L Ag07 Ag0A 50.94(9) . . ?
S00T Ag07 Ag0A 88.65(10) . . ?
Ag0J Ag07 Ag0A 63.30(5) . . ?
Ag09 Ag07 Ag0A 82.58(5) . . ?
O01D Ag07 Ag03 126.0(4) . . ?
O012 Ag07 Ag03 51.8(3) . . ?
S00L Ag07 Ag03 50.69(9) . . ?
S00T Ag07 Ag03 109.99(12) . . ?
Ag0J Ag07 Ag03 150.42(6) . . ?
Ag09 Ag07 Ag03 59.47(4) . . ?
Ag0A Ag07 Ag03 93.31(5) . . ?
O011 Ag08 S00M 109.2(4) . . ?
O011 Ag08 S00O 122.5(4) . . ?
S00M Ag08 S00O 121.30(13) . . ?
O011 Ag08 O00V 98.9(5) . . ?
S00M Ag08 O00V 91.0(3) . . ?
S00O Ag08 O00V 105.6(3) . . ?
O011 Ag08 Ag0C 80.2(4) . . ?
S00M Ag08 Ag0C 116.61(11) . . ?
S00O Ag08 Ag0C 54.44(10) . . ?
O00V Ag08 Ag0C 151.3(3) . . ?
O011 Ag08 Ag0D 103.9(4) . . ?
S00M Ag08 Ag0D 51.24(10) . . ?
S00O Ag08 Ag0D 88.72(10) . . ?
O00V Ag08 Ag0D 140.6(3) . . ?
Ag0C Ag08 Ag0D 65.50(5) . . ?
O011 Ag08 Ag04 171.2(4) . . ?
S00M Ag08 Ag04 78.86(9) . . ?
S00O Ag08 Ag04 48.74(10) . . ?
O00V Ag08 Ag04 84.3(3) . . ?
Ag0C Ag08 Ag04 93.05(5) . . ?
Ag0D Ag08 Ag04 78.05(5) . . ?
O011 Ag08 Ag01 133.3(4) . . ?
S00M Ag08 Ag01 49.26(9) . . ?
S00O Ag08 Ag01 101.56(10) . . ?
O00V Ag08 Ag01 50.5(3) . . ?
Ag0C Ag08 Ag01 144.56(6) . . ?
Ag0D Ag08 Ag01 91.02(5) . . ?
Ag04 Ag08 Ag01 54.74(4) . . ?
S00T Ag09 S00N 158.55(15) . . ?
S00T Ag09 O2 115.2(4) . . ?
S00N Ag09 O2 83.9(4) . . ?
S00T Ag09 Ag07 53.08(11) . . ?
S00N Ag09 Ag07 115.27(12) . . ?
O2 Ag09 Ag07 103.4(4) . . ?
S00T Ag09 Ag03 115.94(12) . . ?
S00N Ag09 Ag03 51.98(11) . . ?
O2 Ag09 Ag03 87.9(4) . . ?
Ag07 Ag09 Ag03 63.96(4) . . ?
S00T Ag09 Ag05 153.38(12) . . ?
S00N Ag09 Ag05 47.34(11) . . ?
O2 Ag09 Ag05 49.5(4) . . ?
Ag07 Ag09 Ag05 142.81(6) . . ?
Ag03 Ag09 Ag05 87.37(5) . . ?
S00T Ag09 Ag0I 45.34(11) . . ?
S00N Ag09 Ag0I 155.43(12) . . ?
O2 Ag09 Ag0I 78.7(4) . . ?
Ag07 Ag09 Ag0I 85.84(5) . . ?
Ag03 Ag09 Ag0I 143.19(6) . . ?
Ag05 Ag09 Ag0I 108.25(5) . . ?
S00L Ag0A S00R 152.81(15) . . ?
S00L Ag0A O027 103.2(5) . . ?
S00R Ag0A O027 95.2(5) . . ?
S00L Ag0A Ag0H 155.81(11) . . ?
S00R Ag0A Ag0H 50.72(11) . . ?
O027 Ag0A Ag0H 68.4(5) . . ?
S00L Ag0A Ag07 51.38(10) . . ?
S00R Ag0A Ag07 105.48(12) . . ?
O027 Ag0A Ag07 152.3(5) . . ?
Ag0H Ag0A Ag07 139.31(6) . . ?
S00L Ag0A Ag0J 106.34(11) . . ?
S00R Ag0A Ag0J 50.00(11) . . ?
O027 Ag0A Ag0J 143.3(4) . . ?
Ag0H Ag0A Ag0J 91.46(5) . . ?
Ag07 Ag0A Ag0J 55.70(4) . . ?
O01E Ag0B O00Y 85.1(5) . . ?
O01E Ag0B S00P 115.6(4) . . ?
O00Y Ag0B S00P 104.3(3) . . ?
O01E Ag0B S00S 113.8(4) . . ?
O00Y Ag0B S00S 112.6(3) . . ?
S00P Ag0B S00S 119.54(14) . . ?
O01E Ag0B Ag02 161.7(4) . . ?
O00Y Ag0B Ag02 86.1(3) . . ?
S00P Ag0B Ag02 51.65(10) . . ?
S00S Ag0B Ag02 84.39(10) . . ?
O01E Ag0B Ag0K 81.5(4) . . ?
O00Y Ag0B Ag0K 142.3(3) . . ?
S00P Ag0B Ag0K 52.60(10) . . ?
S00S Ag0B Ag0K 105.09(11) . . ?
Ag02 Ag0B Ag0K 95.97(6) . . ?
O01E Ag0B Ag01 128.2(5) . . ?
O00Y Ag0B Ag01 64.9(3) . . ?
S00P Ag0B Ag01 112.41(10) . . ?
S00S Ag0B Ag01 52.48(10) . . ?
Ag02 Ag0B Ag01 60.92(4) . . ?
Ag0K Ag0B Ag01 146.57(6) . . ?
O01E Ag0B Ag0H 115.4(4) . . ?
O00Y Ag0B Ag0H 155.6(3) . . ?
S00P Ag0B Ag0H 79.55(10) . . ?
S00S Ag0B Ag0H 48.50(10) . . ?
Ag02 Ag0B Ag0H 77.48(5) . . ?
Ag0K Ag0B Ag0H 58.60(5) . . ?
Ag01 Ag0B Ag0H 91.16(5) . . ?
O01B Ag0C S00U 106.0(4) . . ?
O01B Ag0C S00O 119.7(4) . . ?
S00U Ag0C S00O 120.74(14) . . ?
O01B Ag0C Ag08 80.2(4) . . ?
S00U Ag0C Ag08 105.22(12) . . ?
S00O Ag0C Ag08 53.66(9) . . ?
O01B Ag0C Ag0F 169.3(4) . . ?
S00U Ag0C Ag0F 84.08(11) . . ?
S00O Ag0C Ag0F 50.25(9) . . ?
Ag08 Ag0C Ag0F 93.85(5) . . ?
O01B Ag0C Ag0G 130.3(4) . . ?
S00U Ag0C Ag0G 49.32(11) . . ?
S00O Ag0C Ag0G 109.23(10) . . ?
Ag08 Ag0C Ag0G 141.14(6) . . ?
Ag0F Ag0C Ag0G 59.10(4) . . ?
O01B Ag0C Ag0D 104.7(4) . . ?
S00U Ag0C Ag0D 47.68(11) . . ?
S00O Ag0C Ag0D 83.90(10) . . ?
Ag08 Ag0C Ag0D 58.52(4) . . ?
Ag0F Ag0C Ag0D 79.23(5) . . ?
Ag0G Ag0C Ag0D 87.39(5) . . ?
S00U Ag0D O65 105.2(5) . . ?
S00U Ag0D S00M 154.76(16) . . ?
O65 Ag0D S00M 88.4(5) . . ?
S00U Ag0D Ag08 105.38(12) . . ?
O65 Ag0D Ag08 88.1(5) . . ?
S00M Ag0D Ag08 52.99(10) . . ?
S00U Ag0D Ag05 49.28(11) . . ?
O65 Ag0D Ag05 74.1(5) . . ?
S00M Ag0D Ag05 155.63(11) . . ?
Ag08 Ag0D Ag05 140.33(6) . . ?
S00U Ag0D Ag0C 50.39(12) . . ?
O65 Ag0D Ag0C 92.9(5) . . ?
S00M Ag0D Ag0C 108.86(11) . . ?
Ag08 Ag0D Ag0C 55.98(4) . . ?
Ag05 Ag0D Ag0C 89.20(5) . . ?
O02E Ag0E O018 92.5(7) . . ?
O02E Ag0E S00N 112.0(4) . . ?
O018 Ag0E S00N 113.7(4) . . ?
O02E Ag0E S00Q 101.2(5) . . ?
O018 Ag0E S00Q 112.4(4) . . ?
S00N Ag0E S00Q 120.51(14) . . ?
O02E Ag0E Ag0G 137.7(4) . . ?
O018 Ag0E Ag0G 73.6(4) . . ?
S00N Ag0E Ag0G 110.17(11) . . ?
S00Q Ag0E Ag0G 52.51(10) . . ?
O02E Ag0E Ag05 159.9(4) . . ?
O018 Ag0E Ag05 103.5(5) . . ?
S00N Ag0E Ag05 50.37(11) . . ?
S00Q Ag0E Ag05 84.05(10) . . ?
Ag0G Ag0E Ag05 60.23(5) . . ?
O02E Ag0E Ag03 69.5(4) . . ?
O018 Ag0E Ag03 141.9(4) . . ?
S00N Ag0E Ag03 50.89(10) . . ?
S00Q Ag0E Ag03 104.12(11) . . ?
Ag0G Ag0E Ag03 141.61(6) . . ?
Ag05 Ag0E Ag03 90.45(5) . . ?
O02E Ag0E Ag06 92.6(6) . . ?
O018 Ag0E Ag06 160.4(3) . . ?
S00N Ag0E Ag06 81.69(10) . . ?
S00Q Ag0E Ag06 47.98(10) . . ?
Ag0G Ag0E Ag06 90.04(5) . . ?
Ag05 Ag0E Ag06 76.46(5) . . ?
Ag03 Ag0E Ag06 57.19(4) . . ?
S00Q Ag0F S00O 162.43(16) . . ?
S00Q Ag0F Ag0C 113.61(12) . . ?
S00O Ag0F Ag0C 53.07(10) . . ?
S00Q Ag0F Ag0G 51.91(11) . . ?
S00O Ag0F Ag0G 115.35(11) . . ?
Ag0C Ag0F Ag0G 62.41(5) . . ?
S00Q Ag0F Ag06 46.10(11) . . ?
S00O Ag0F Ag06 151.40(11) . . ?
Ag0C Ag0F Ag06 140.31(6) . . ?
Ag0G Ag0F Ag06 85.54(5) . . ?
S00Q Ag0F Ag04 150.75(12) . . ?
S00O Ag0F Ag04 46.73(10) . . ?
Ag0C Ag0F Ag04 88.11(5) . . ?
Ag0G Ag0F Ag04 139.32(6) . . ?
Ag06 Ag0F Ag04 104.68(5) . . ?
O00X Ag0G S00U 117.1(4) . . ?
O00X Ag0G S00Q 116.0(4) . . ?
S00U Ag0G S00Q 123.54(15) . . ?
O00X Ag0G Ag0E 86.1(4) . . ?
S00U Ag0G Ag0E 111.67(12) . . ?
S00Q Ag0G Ag0E 54.95(10) . . ?
O00X Ag0G Ag05 120.0(4) . . ?
S00U Ag0G Ag05 51.17(12) . . ?
S00Q Ag0G Ag05 86.10(10) . . ?
Ag0E Ag0G Ag05 61.38(5) . . ?
O00X Ag0G Ag0F 155.7(4) . . ?
S00U Ag0G Ag0F 84.60(11) . . ?
S00Q Ag0G Ag0F 49.91(10) . . ?
Ag0E Ag0G Ag0F 96.09(6) . . ?
Ag05 Ag0G Ag0F 81.42(5) . . ?
O00X Ag0G Ag0C 125.8(4) . . ?
S00U Ag0G Ag0C 50.90(11) . . ?
S00Q Ag0G Ag0C 107.75(11) . . ?
Ag0E Ag0G Ag0C 147.31(6) . . ?
Ag05 Ag0G Ag0C 92.47(5) . . ?
Ag0F Ag0G Ag0C 58.48(4) . . ?
S00S Ag0H S00R 155.47(15) . . ?
S00S Ag0H O8 110.2(5) . . ?
S00R Ag0H O8 87.6(5) . . ?
S00S Ag0H Ag0K 107.13(12) . . ?
S00R Ag0H Ag0K 52.59(11) . . ?
O8 Ag0H Ag0K 95.8(5) . . ?
S00S Ag0H Ag0A 152.31(12) . . ?
S00R Ag0H Ag0A 52.10(10) . . ?
O8 Ag0H Ag0A 55.4(5) . . ?
Ag0K Ag0H Ag0A 98.36(6) . . ?
S00S Ag0H Ag0B 51.40(11) . . ?
S00R Ag0H Ag0B 110.42(12) . . ?
O8 Ag0H Ag0B 99.9(5) . . ?
Ag0K Ag0H Ag0B 57.84(5) . . ?
Ag0A Ag0H Ag0B 146.04(6) . . ?
S00P Ag0I S00T 157.13(17) . . ?
S00P Ag0I O49A 94.6(19) . . ?
S00T Ag0I O49A 104.9(19) . . ?
S00P Ag0I O8 94.3(5) . . ?
S00T Ag0I O8 100.3(5) . . ?
O49A Ag0I O8 81(2) . . ?
S00P Ag0I Ag0J 110.95(12) . . ?
S00T Ag0I Ag0J 51.80(12) . . ?
O49A Ag0I Ag0J 153.7(19) . . ?
O8 Ag0I Ag0J 90.7(5) . . ?
S00P Ag0I Ag02 48.56(10) . . ?
S00T Ag0I Ag02 154.29(13) . . ?
O49A Ag0I Ag02 54.9(19) . . ?
O8 Ag0I Ag02 63.7(5) . . ?
Ag0J Ag0I Ag02 141.40(6) . . ?
S00P Ag0I Ag09 156.23(12) . . ?
S00T Ag0I Ag09 46.49(11) . . ?
O49A Ag0I Ag09 67.5(19) . . ?
O8 Ag0I Ag09 68.3(5) . . ?
Ag0J Ag0I Ag09 86.21(5) . . ?
Ag02 Ag0I Ag09 107.81(6) . . ?
O02T Ag0J S00R 116.0(4) . . ?
O02T Ag0J S00T 115.7(4) . . ?
S00R Ag0J S00T 121.15(15) . . ?
O02T Ag0J Ag07 80.7(4) . . ?
S00R Ag0J Ag07 111.32(11) . . ?
S00T Ag0J Ag07 53.47(10) . . ?
O02T Ag0J Ag0A 110.3(4) . . ?
S00R Ag0J Ag0A 50.56(10) . . ?
S00T Ag0J Ag0A 86.26(10) . . ?
Ag07 Ag0J Ag0A 61.00(5) . . ?
O02T Ag0J Ag0I 162.1(4) . . ?
S00R Ag0J Ag0I 81.61(11) . . ?
S00T Ag0J Ag0I 47.61(10) . . ?
Ag07 Ag0J Ag0I 90.26(6) . . ?
Ag0A Ag0J Ag0I 77.84(5) . . ?
O03E Ag0K O020 81.3(7) . . ?
O03E Ag0K S00R 120.5(6) . . ?
O020 Ag0K S00R 110.0(4) . . ?
O03E Ag0K S00P 106.8(5) . . ?
O020 Ag0K S00P 121.6(5) . . ?
S00R Ag0K S00P 113.47(14) . . ?
O03E Ag0K Ag0B 124.4(6) . . ?
O020 Ag0K Ag0B 73.8(5) . . ?
S00R Ag0K Ag0B 114.60(12) . . ?
S00P Ag0K Ag0B 53.60(10) . . ?
O03E Ag0K Ag0H 169.7(5) . . ?
O020 Ag0K Ag0H 96.0(5) . . ?
S00R Ag0K Ag0H 51.04(11) . . ?
S00P Ag0K Ag0H 83.08(10) . . ?
Ag0B Ag0K Ag0H 63.57(5) . . ?
C017 S00L Ag06 115.6(6) . . ?
C017 S00L Ag0A 114.0(5) . . ?
Ag06 S00L Ag0A 88.36(13) . . ?
C017 S00L Ag07 114.7(6) . . ?
Ag06 S00L Ag07 129.14(16) . . ?
Ag0A S00L Ag07 77.68(12) . . ?
C017 S00L Ag03 111.7(5) . . ?
Ag06 S00L Ag03 75.38(12) . . ?
Ag0A S00L Ag03 134.16(16) . . ?
Ag07 S00L Ag03 80.28(12) . . ?
C019 S00M Ag02 114.4(5) . . ?
C019 S00M Ag0D 115.4(5) . . ?
Ag02 S00M Ag0D 88.07(14) . . ?
C019 S00M Ag01 113.4(5) . . ?
Ag02 S00M Ag01 77.25(12) . . ?
Ag0D S00M Ag01 130.91(17) . . ?
C019 S00M Ag08 111.8(5) . . ?
Ag02 S00M Ag08 133.69(17) . . ?
Ag0D S00M Ag08 75.78(12) . . ?
Ag01 S00M Ag08 81.41(13) . . ?
C01M S00N Ag05 117.6(6) . . ?
C01M S00N Ag09 115.5(6) . . ?
Ag05 S00N Ag09 85.11(14) . . ?
C01M S00N Ag03 114.8(6) . . ?
Ag05 S00N Ag03 127.29(17) . . ?
Ag09 S00N Ag03 77.65(13) . . ?
C01M S00N Ag0E 113.6(6) . . ?
Ag05 S00N Ag0E 76.96(13) . . ?
Ag09 S00N Ag0E 130.70(17) . . ?
Ag03 S00N Ag0E 77.81(13) . . ?
C01U S00O Ag04 119.6(6) . . ?
C01U S00O Ag0F 119.4(6) . . ?
Ag04 S00O Ag0F 86.53(13) . . ?
C01U S00O Ag08 112.0(6) . . ?
Ag04 S00O Ag08 80.53(12) . . ?
Ag0F S00O Ag08 126.49(16) . . ?
C01U S00O Ag0C 111.2(6) . . ?
Ag04 S00O Ag0C 128.20(16) . . ?
Ag0F S00O Ag0C 76.68(12) . . ?
Ag08 S00O Ag0C 71.90(12) . . ?
C016 S00P Ag0I 114.3(6) . . ?
C016 S00P Ag02 116.4(6) . . ?
Ag0I S00P Ag02 84.57(13) . . ?
C016 S00P Ag0K 111.5(6) . . ?
Ag0I S00P Ag0K 90.38(15) . . ?
Ag02 S00P Ag0K 129.43(16) . . ?
C016 S00P Ag0B 112.2(6) . . ?
Ag0I S00P Ag0B 133.46(17) . . ?
Ag02 S00P Ag0B 73.97(12) . . ?
Ag0K S00P Ag0B 73.80(12) . . ?
C01K S00Q Ag06 118.7(7) . . ?
C01K S00Q Ag0F 117.1(6) . . ?
Ag06 S00Q Ag0F 87.32(15) . . ?
C01K S00Q Ag0G 113.8(7) . . ?
Ag06 S00Q Ag0G 126.42(17) . . ?
Ag0F S00Q Ag0G 78.17(13) . . ?
C01K S00Q Ag0E 111.1(6) . . ?
Ag06 S00Q Ag0E 79.37(13) . . ?
Ag0F S00Q Ag0E 130.40(17) . . ?
Ag0G S00Q Ag0E 72.54(13) . . ?
C02A S00R Ag0H 113.7(7) . . ?
C02A S00R Ag0J 114.8(7) . . ?
Ag0H S00R Ag0J 131.17(18) . . ?
C02A S00R Ag0A 112.2(6) . . ?
Ag0H S00R Ag0A 77.18(13) . . ?
Ag0J S00R Ag0A 79.44(13) . . ?
C02A S00R Ag0K 109.2(6) . . ?
Ag0H S00R Ag0K 76.37(14) . . ?
Ag0J S00R Ag0K 93.41(16) . . ?
Ag0A S00R Ag0K 137.03(18) . . ?
C01Q S00S Ag04 114.3(6) . . ?
C01Q S00S Ag0H 116.1(6) . . ?
Ag04 S00S Ag0H 88.39(15) . . ?
C01Q S00S Ag01 114.5(6) . . ?
Ag04 S00S Ag01 73.43(12) . . ?
Ag0H S00S Ag01 129.30(17) . . ?
C01Q S00S Ag0B 117.4(6) . . ?
Ag04 S00S Ag0B 126.83(17) . . ?
Ag0H S00S Ag0B 80.10(13) . . ?
Ag01 S00S Ag0B 74.83(13) . . ?
C02U S00T Ag0I 117.6(6) . . ?
C02U S00T Ag09 116.4(8) . . ?
Ag0I S00T Ag09 88.17(15) . . ?
C02U S00T Ag07 115.8(6) . . ?
Ag0I S00T Ag07 125.93(17) . . ?
Ag09 S00T Ag07 75.42(13) . . ?
C02U S00T Ag0J 113.6(8) . . ?
Ag0I S00T Ag0J 80.59(15) . . ?
Ag09 S00T Ag0J 128.09(17) . . ?
Ag07 S00T Ag0J 71.35(13) . . ?
C02J S00U Ag0D 117.0(8) . . ?
C02J S00U Ag05 113.3(8) . . ?
Ag0D S00U Ag05 81.97(16) . . ?
C02J S00U Ag0G 111.8(8) . . ?
Ag0D S00U Ag0G 131.19(19) . . ?
Ag05 S00U Ag0G 76.93(14) . . ?
C02J S00U Ag0C 115.4(8) . . ?
Ag0D S00U Ag0C 81.92(14) . . ?
Ag05 S00U Ag0C 130.92(19) . . ?
Ag0G S00U Ag0C 79.78(15) . . ?
C025 O00V Ag08 145.1(13) . . ?
C025 O00V Ag01 114.1(13) . . ?
Ag08 O00V Ag01 79.1(3) . . ?
C01R O00W Ag03 116.8(11) . . ?
C02Q O00X Ag0G 118.9(14) . . ?
C01L O00Y Ag0B 116.9(11) . . ?
C01L O010 Ag01 110.5(12) . . ?
C035 O011 Ag08 124.2(14) . . ?
C02R O012 Ag07 114.5(12) . . ?
C02R O012 Ag03 161.2(12) . . ?
Ag07 O012 Ag03 80.6(4) . . ?
C02H C016 C03A 115(2) . . ?
C02H C016 C01Z 108.3(18) . . ?
C03A C016 C01Z 108.3(19) . . ?
C02H C016 S00P 109.3(13) . . ?
C03A C016 S00P 107.6(13) . . ?
C01Z C016 S00P 108.0(12) . . ?
C02V C017 C02L 110.4(18) . . ?
C02V C017 C03L 115(2) . . ?
C02L C017 C03L 111.5(18) . . ?
C02V C017 S00L 106.0(12) . . ?
C02L C017 S00L 107.2(11) . . ?
C03L C017 S00L 106.6(13) . . ?
C02Q O018 Ag0E 128.8(15) . . ?
C01O C019 C01W 113.9(15) . . ?
C01O C019 C01I 111.1(13) . . ?
C01W C019 C01I 109.3(14) . . ?
C01O C019 S00M 106.7(11) . . ?
C01W C019 S00M 107.5(11) . . ?
C01I C019 S00M 108.1(11) . . ?
C035 O01B Ag0C 123.7(15) . . ?
C03Q O01D Ag07 122.3(16) . . ?
C028 O01E Ag0B 120.9(15) . . ?
C019 C01I H01A 109.5 . . ?
C019 C01I H01B 109.5 . . ?
H01A C01I H01B 109.5 . . ?
C019 C01I H01C 109.5 . . ?
H01A C01I H01C 109.5 . . ?
H01B C01I H01C 109.5 . . ?
C033 C01K C02Z 109(2) . . ?
C033 C01K C02I 110(2) . . ?
C02Z C01K C02I 116(2) . . ?
C033 C01K S00Q 108.7(15) . . ?
C02Z C01K S00Q 106.9(15) . . ?
C02I C01K S00Q 106.1(13) . . ?
O010 C01L O00Y 128.2(18) . . ?
O010 C01L C024 114.8(16) . . ?
O00Y C01L C024 116.5(18) . . ?
C83A C01M C43A 110.0(17) . . ?
C86 C01M C83 108.0(18) . . ?
C86 C01M C43 107.4(17) . . ?
C83 C01M C43 106.1(18) . . ?
C83A C01M C86A 106.2(16) . . ?
C43A C01M C86A 106.7(17) . . ?
C83A C01M S00N 112.3(17) . . ?
C86 C01M S00N 111.2(16) . . ?
C43A C01M S00N 113(2) . . ?
C83 C01M S00N 115(3) . . ?
C43 C01M S00N 109(2) . . ?
C86A C01M S00N 108.7(19) . . ?
C019 C01O H01D 109.5 . . ?
C019 C01O H01E 109.4 . . ?
H01D C01O H01E 109.5 . . ?
C019 C01O H01F 109.5 . . ?
H01D C01O H01F 109.5 . . ?
H01E C01O H01F 109.5 . . ?
C03U C01Q C03F 107(2) . . ?
C03U C01Q C28 105(2) . . ?
C03F C01Q C28 106(2) . . ?
C03G C01Q C2 90(4) . . ?
C03G C01Q C28A 111(3) . . ?
C2 C01Q C28A 105(3) . . ?
C03U C01Q S00S 112.6(15) . . ?
C03F C01Q S00S 110.7(16) . . ?
C03G C01Q S00S 116(2) . . ?
C28 C01Q S00S 114.7(18) . . ?
C2 C01Q S00S 113(3) . . ?
C28A C01Q S00S 118(2) . . ?
O02E C01R O00W 127.2(16) . . ?
O02E C01R C023 115.0(17) . . ?
O00W C01R C023 117.6(16) . . ?
C02R N01S C026 121.2(17) . . ?
C02R N01S C02B 117.8(17) . . ?
C026 N01S C02B 120.8(16) . . ?
C03M C01U C040 111(2) . . ?
C03M C01U C03I 110(2) . . ?
C040 C01U C03I 108(2) . . ?
C03M C01U S00O 110.6(15) . . ?
C040 C01U S00O 110.8(15) . . ?
C03I C01U S00O 106.8(13) . . ?
C025 N01V C03N 129(2) . . ?
C025 N01V C034 115.2(17) . . ?
C03N N01V C034 116.1(19) . . ?
C019 C01W H01G 109.5 . . ?
C019 C01W H01H 109.4 . . ?
H01G C01W H01H 109.5 . . ?
C019 C01W H01I 109.5 . . ?
H01G C01W H01I 109.5 . . ?
H01H C01W H01I 109.5 . . ?
C02Y N01X C03C 120(3) . . ?
C02Y N01X C03S 122(2) . . ?
C03C N01X C03S 119(2) . . ?
C016 C01Z H01J 109.4 . . ?
C016 C01Z H01K 109.5 . . ?
H01J C01Z H01K 109.5 . . ?
C016 C01Z H01L 109.5 . . ?
H01J C01Z H01L 109.5 . . ?
H01K C01Z H01L 109.5 . . ?
C028 O020 Ag0K 122.6(15) . . ?
F02H C023 F1 106.6(16) . . ?
F110 C023 F01A 109.0(15) . . ?
F02H C023 F01B 99.1(16) . . ?
F1 C023 F01B 97.7(16) . . ?
F02H C023 C01R 121.4(18) . . ?
F110 C023 C01R 117.0(17) . . ?
F1 C023 C01R 117.8(17) . . ?
F01A C023 C01R 118.8(16) . . ?
F01B C023 C01R 110(2) . . ?
F110 C023 F02G 100.5(15) . . ?
F01A C023 F02G 93.8(14) . . ?
C01R C023 F02G 114.0(18) . . ?
F015 C024 F013 108.1(17) . . ?
F015 C024 F014 103.1(18) . . ?
F013 C024 F014 106(2) . . ?
F015 C024 C01L 114.7(19) . . ?
F013 C024 C01L 111.7(19) . . ?
F014 C024 C01L 112.9(16) . . ?
O00V C025 N01V 133(2) . . ?
O00V C025 H025 113.6 . . ?
N01V C025 H025 113.7 . . ?
N01S C026 H02A 109.5 . . ?
N01S C026 H02B 109.5 . . ?
H02A C026 H02B 109.5 . . ?
N01S C026 H02C 109.4 . . ?
H02A C026 H02C 109.5 . . ?
H02B C026 H02C 109.5 . . ?
C031 O027 Ag0A 110.8(14) . . ?
O01E C028 O020 129(2) . . ?
O01E C028 C26 121(2) . . ?
O020 C028 C26 110(2) . . ?
C03O C02A C042 110(2) . . ?
C03O C02A C02P 109(2) . . ?
C042 C02A C02P 114(2) . . ?
C03O C02A S00R 109.8(15) . . ?
C042 C02A S00R 105.8(14) . . ?
C02P C02A S00R 107.7(13) . . ?
N01S C02B H02D 109.4 . . ?
N01S C02B H02E 109.5 . . ?
H02D C02B H02E 109.5 . . ?
N01S C02B H02F 109.5 . . ?
H02D C02B H02F 109.5 . . ?
H02E C02B H02F 109.5 . . ?
C01R O02E Ag0E 133.6(12) . . ?
C016 C02H H02G 109.5 . . ?
C016 C02H H02H 109.5 . . ?
H02G C02H H02H 109.5 . . ?
C016 C02H H02I 109.4 . . ?
H02G C02H H02I 109.5 . . ?
H02H C02H H02I 109.5 . . ?
C01K C02I H02J 109.4 . . ?
C01K C02I H02K 109.5 . . ?
H02J C02I H02K 109.5 . . ?
C01K C02I H02L 109.5 . . ?
H02J C02I H02L 109.5 . . ?
H02K C02I H02L 109.5 . . ?
C03K C02J C02S 124(2) . . ?
C03K C02J C044 104(2) . . ?
C02S C02J C044 97(2) . . ?
C03K C02J S00U 113.0(17) . . ?
C02S C02J S00U 110.0(15) . . ?
C044 C02J S00U 106.3(17) . . ?
C017 C02L H02M 109.5 . . ?
C017 C02L H02N 109.4 . . ?
H02M C02L H02N 109.5 . . ?
C017 C02L H02O 109.4 . . ?
H02M C02L H02O 109.5 . . ?
H02N C02L H02O 109.5 . . ?
F01N C02M F01J 110(3) . . ?
F01N C02M F01P 105(3) . . ?
F01J C02M F01P 105(2) . . ?
F01N C02M C02Q 114(2) . . ?
F01J C02M C02Q 113(2) . . ?
F01P C02M C02Q 109(2) . . ?
C02A C02P H02P 109.5 . . ?
C02A C02P H02Q 109.5 . . ?
H02P C02P H02Q 109.5 . . ?
C02A C02P H02R 109.4 . . ?
H02P C02P H02R 109.5 . . ?
H02Q C02P H02R 109.5 . . ?
O018 C02Q O00X 128(2) . . ?
O018 C02Q C02M 117(2) . . ?
O00X C02Q C02M 114(2) . . ?
O012 C02R N01S 124.0(19) . . ?
O012 C02R H02S 118.0 . . ?
N01S C02R H02S 118.0 . . ?
C02J C02S H02T 109.5 . . ?
C02J C02S H02U 109.3 . . ?
H02T C02S H02U 109.5 . . ?
C02J C02S H02V 109.6 . . ?
H02T C02S H02V 109.5 . . ?
H02U C02S H02V 109.5 . . ?
C03Q O02T Ag0J 119.1(15) . . ?
C32 C02U C22 121(3) . . ?
C32 C02U C03V 101(3) . . ?
C22 C02U C03V 106(3) . . ?
C32 C02U S00T 109.8(16) . . ?
C22 C02U S00T 110.0(18) . . ?
C03V C02U S00T 107.7(16) . . ?
C017 C02V H02W 109.3 . . ?
C017 C02V H02X 109.5 . . ?
H02W C02V H02X 109.5 . . ?
C017 C02V H02Y 109.6 . . ?
H02W C02V H02Y 109.5 . . ?
H02X C02V H02Y 109.5 . . ?
F01Y C02W F01H 107(3) . . ?
F01Y C02W F02F 108(2) . . ?
F01H C02W F02F 103(2) . . ?
F01Y C02W C031 115(2) . . ?
F01H C02W C031 113(2) . . ?
F02F C02W C031 109(2) . . ?
O029 C02Y N01X 128(3) . . ?
O029 C02Y H02 115.8 . . ?
N01X C02Y H02 115.8 . . ?
C01K C02Z H02Z 109.5 . . ?
C01K C02Z HA 109.4 . . ?
H02Z C02Z HA 109.5 . . ?
C01K C02Z HB 109.5 . . ?
H02Z C02Z HB 109.5 . . ?
HA C02Z HB 109.5 . . ?
O02N C031 O027 127(2) . . ?
O02N C031 C02W 116(2) . . ?
O027 C031 C02W 116(2) . . ?
C01K C033 H03A 109.5 . . ?
C01K C033 H03B 109.4 . . ?
H03A C033 H03B 109.5 . . ?
C01K C033 H03C 109.5 . . ?
H03A C033 H03C 109.5 . . ?
H03B C033 H03C 109.5 . . ?
N01V C034 H03D 109.4 . . ?
N01V C034 H03E 109.5 . . ?
H03D C034 H03E 109.5 . . ?
N01V C034 H03F 109.5 . . ?
H03D C034 H03F 109.5 . . ?
H03E C034 H03F 109.5 . . ?
O01B C035 O011 131(2) . . ?
O01B C035 C03T 119(2) . . ?
O011 C035 C03T 110(2) . . ?
C N039 C21 124(3) . . ?
C N039 C37 124(3) . . ?
C21 N039 C37 112(2) . . ?
C016 C03A H03G 109.5 . . ?
C016 C03A H03H 109.4 . . ?
H03G C03A H03H 109.5 . . ?
C016 C03A H03I 109.4 . . ?
H03G C03A H03I 109.5 . . ?
H03H C03A H03I 109.5 . . ?
N01X C03C H3 109.3 . . ?
N01X C03C HC 109.7 . . ?
H3 C03C HC 109.5 . . ?
N01X C03C HD 109.5 . . ?
H3 C03C HD 109.5 . . ?
HC C03C HD 109.5 . . ?
C O03E Ag0K 122(2) . . ?
C01Q C03F H03J 109.4 . . ?
C01Q C03F H03K 109.8 . . ?
H03J C03F H03K 109.5 . . ?
C01Q C03F H03L 109.3 . . ?
H03J C03F H03L 109.5 . . ?
H03K C03F H03L 109.5 . . ?
O03E C N039 121(3) . . ?
O03E C H 119.6 . . ?
N039 C H 119.4 . . ?
C01U C03I H03M 109.5 . . ?
C01U C03I H03N 109.4 . . ?
H03M C03I H03N 109.5 . . ?
C01U C03I H03O 109.6 . . ?
H03M C03I H03O 109.5 . . ?
H03N C03I H03O 109.5 . . ?
C02J C03K H03P 109.4 . . ?
C02J C03K H03Q 109.4 . . ?
H03P C03K H03Q 109.5 . . ?
C02J C03K H03R 109.6 . . ?
H03P C03K H03R 109.5 . . ?
H03Q C03K H03R 109.5 . . ?
C017 C03L H03S 109.5 . . ?
C017 C03L H03T 109.4 . . ?
H03S C03L H03T 109.5 . . ?
C017 C03L H03U 109.4 . . ?
H03S C03L H03U 109.5 . . ?
H03T C03L H03U 109.5 . . ?
C01U C03M H03V 109.5 . . ?
C01U C03M H03W 109.6 . . ?
H03V C03M H03W 109.5 . . ?
C01U C03M H03X 109.3 . . ?
H03V C03M H03X 109.5 . . ?
H03W C03M H03X 109.5 . . ?
N01V C03N H03Y 109.6 . . ?
N01V C03N HE 109.3 . . ?
H03Y C03N HE 109.5 . . ?
N01V C03N HF 109.4 . . ?
H03Y C03N HF 109.5 . . ?
HE C03N HF 109.5 . . ?
C02A C03O H03Z 109.3 . . ?
C02A C03O HG 109.6 . . ?
H03Z C03O HG 109.5 . . ?
C02A C03O HH 109.5 . . ?
H03Z C03O HH 109.5 . . ?
HG C03O HH 109.5 . . ?
O01D C03Q O02T 136(2) . . ?
O01D C03Q C1 113(2) . . ?
O02T C03Q C1 111(2) . . ?
N01X C03S H4 109.5 . . ?
N01X C03S HI 109.6 . . ?
H4 C03S HI 109.5 . . ?
N01X C03S HJ 109.4 . . ?
H4 C03S HJ 109.5 . . ?
HI C03S HJ 109.5 . . ?
F02D C03T F022 106(3) . . ?
F02D C03T F03B 105(3) . . ?
F022 C03T F03B 105(3) . . ?
F02D C03T C035 117(3) . . ?
F022 C03T C035 113(2) . . ?
F03B C03T C035 109(3) . . ?
C01Q C03U H03 109.3 . . ?
C01Q C03U HK 109.4 . . ?
H03 C03U HK 109.5 . . ?
C01Q C03U HL 109.8 . . ?
H03 C03U HL 109.5 . . ?
HK C03U HL 109.5 . . ?
C02U C03V H1 109.6 . . ?
C02U C03V HM 109.4 . . ?
H1 C03V HM 109.5 . . ?
C02U C03V HN 109.4 . . ?
H1 C03V HN 109.5 . . ?
HM C03V HN 109.5 . . ?
C01U C040 H04A 109.3 . . ?
C01U C040 H04B 109.5 . . ?
H04A C040 H04B 109.5 . . ?
C01U C040 H04C 109.6 . . ?
H04A C040 H04C 109.5 . . ?
H04B C040 H04C 109.5 . . ?
C02A C042 H04D 109.6 . . ?
C02A C042 H04E 109.6 . . ?
H04D C042 H04E 109.5 . . ?
C02A C042 H04F 109.2 . . ?
H04D C042 H04F 109.5 . . ?
H04E C042 H04F 109.5 . . ?
C02J C044 H04G 109.4 . . ?
C02J C044 H04H 109.5 . . ?
H04G C044 H04H 109.5 . . ?
C02J C044 H04I 109.4 . . ?
H04G C044 H04I 109.5 . . ?
H04H C044 H04I 109.5 . . ?
N039 C21 H21A 109.5 . . ?
N039 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
N039 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C02U C22 H22A 110.0 . . ?
C02U C22 H22B 109.3 . . ?
H22A C22 H22B 109.4 . . ?
C02U C22 H22C 109.4 . . ?
H22A C22 H22C 109.4 . . ?
H22B C22 H22C 109.4 . . ?
C02U C32 H32A 109.2 . . ?
C02U C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C02U C32 H32C 109.7 . . ?
H32A C32 H32C 109.4 . . ?
H32B C32 H32C 109.5 . . ?
N039 C37 H37A 109.1 . . ?
N039 C37 H37B 109.4 . . ?
H37A C37 H37B 109.5 . . ?
N039 C37 H37C 110.0 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
F03R C26 F01C 100.8(16) . . ?
F03R C26 F030 101(2) . . ?
F01C C26 F030 100.8(18) . . ?
F03R C26 C028 115.9(18) . . ?
F01C C26 C028 116(2) . . ?
F030 C26 C028 119(2) . . ?
C01M C43 H43A 109.1 . . ?
C01M C43 H43B 109.8 . . ?
H43A C43 H43B 109.5 . . ?
C01M C43 H43C 109.6 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C01M C83 H83A 109.9 . . ?
C01M C83 H83B 108.8 . . ?
H83A C83 H83B 109.5 . . ?
C01M C83 H83C 109.7 . . ?
H83A C83 H83C 109.5 . . ?
H83B C83 H83C 109.4 . . ?
C01M C86 H86A 109.5 . . ?
C01M C86 H86B 109.8 . . ?
H86A C86 H86B 109.5 . . ?
C01M C86 H86C 109.1 . . ?
H86A C86 H86C 109.5 . . ?
H86B C86 H86C 109.5 . . ?
C01Q C28 H28A 109.5 . . ?
C01Q C28 H28B 109.6 . . ?
H28A C28 H28B 109.5 . . ?
C01Q C28 H28C 109.3 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
O41 C24 O68 102(4) . . ?
O41 C24 O22 76(3) . . ?
O68 C24 O22 90(4) . . ?
O41 C24 O49A 83(4) . . ?
O68 C24 O49A 49(4) . . ?
O22 C24 O49A 128(4) . . ?
O41 C24 C107 127(3) . . ?
O68 C24 C107 130(3) . . ?
O22 C24 C107 111(3) . . ?
O49A C24 C107 120(4) . . ?
F22 C107 F23 106.2(19) . . ?
F23A C107 F35A 103.1(19) . . ?
F22 C107 F35 104.9(18) . . ?
F23 C107 F35 103.6(18) . . ?
F23A C107 F22A 102(2) . . ?
F35A C107 F22A 100(2) . . ?
F22 C107 C24 118(2) . . ?
F23 C107 C24 110(2) . . ?
F23A C107 C24 122(2) . . ?
F35A C107 C24 117(2) . . ?
F35 C107 C24 113(2) . . ?
F22A C107 C24 111(3) . . ?
F032 C1 F038 101.7(17) . . ?
F3 C1 F0 102(2) . . ?
F032 C1 F037 98.8(17) . . ?
F038 C1 F037 101.9(17) . . ?
F3 C1 F2 100.4(19) . . ?
F0 C1 F2 99(2) . . ?
F032 C1 C03Q 124(2) . . ?
F3 C1 C03Q 122(2) . . ?
F038 C1 C03Q 112(2) . . ?
F0 C1 C03Q 119(3) . . ?
F037 C1 C03Q 115(2) . . ?
F2 C1 C03Q 110(2) . . ?
C9 O8 Ag0I 128.0(15) . . ?
C9 O8 Ag0H 121.9(15) . . ?
Ag0I O8 Ag0H 104.0(8) . . ?
O65 C9 O8 127(2) . . ?
O65 C9 O2 121.6(18) . . ?
O8 C9 O2 111.3(17) . . ?
C9 O65 Ag04 124.6(16) . . ?
C9 O65 Ag0D 126.0(16) . . ?
Ag04 O65 Ag0D 108.2(9) . . ?
C9 O2 Ag09 123.8(13) . . ?
C9 O2 Ag06 119.8(12) . . ?
Ag09 O2 Ag06 102.6(7) . . ?
C9 O2 Ag05 119.9(13) . . ?
Ag09 O2 Ag05 82.6(5) . . ?
Ag06 O2 Ag05 100.5(6) . . ?
C01M C86A H86D 109.5 . . ?
C01M C86A H86E 109.5 . . ?
H86D C86A H86E 109.5 . . ?
C01M C86A H86F 109.4 . . ?
H86D C86A H86F 109.5 . . ?
H86E C86A H86F 109.5 . . ?
C01M C83A H83D 108.5 . . ?
C01M C83A H83E 110.2 . . ?
H83D C83A H83E 109.4 . . ?
C01M C83A H83F 109.7 . . ?
H83D C83A H83F 109.5 . . ?
H83E C83A H83F 109.5 . . ?
C01M C43A H43D 110.7 . . ?
C01M C43A H43E 108.6 . . ?
H43D C43A H43E 109.5 . . ?
C01M C43A H43F 109.1 . . ?
H43D C43A H43F 109.5 . . ?
H43E C43A H43F 109.5 . . ?
C01Q C28A H28D 109.8 . . ?
C01Q C28A H28E 109.3 . . ?
H28D C28A H28E 109.4 . . ?
C01Q C28A H28F 109.5 . . ?
H28D C28A H28F 109.4 . . ?
H28E C28A H28F 109.4 . . ?
C01Q C2 H2A 110.1 . . ?
C01Q C2 H2B 108.7 . . ?
H2A C2 H2B 109.4 . . ?
C01Q C2 H2C 109.8 . . ?
H2A C2 H2C 109.4 . . ?
H2B C2 H2C 109.5 . . ?
C01Q C03G H2 109.5 . . ?
C01Q C03G HO 109.4 . . ?
H2 C03G HO 109.5 . . ?
C01Q C03G HP 109.6 . . ?
H2 C03G HP 109.5 . . ?
HO C03G HP 109.5 . . ?
O68 O49A C24 51(3) . . ?
O68 O49A O41 71(4) . . ?
C24 O49A O41 37.0(18) . . ?
O68 O49A Ag0I 151(6) . . ?
C24 O49A Ag0I 157(5) . . ?
O41 O49A Ag0I 126(5) . . ?
C24 O41 O22 63(3) . . ?
C24 O41 O49A 60(3) . . ?
O22 O41 O49A 107(4) . . ?
C24 O41 O68 42(3) . . ?
O22 O41 O68 68(3) . . ?
O49A O41 O68 39(3) . . ?
O49A O68 C24 80(4) . . ?
O49A O68 O41 70(5) . . ?
C24 O68 O41 36(2) . . ?
O49A O68 O22 120(6) . . ?
C24 O68 O22 50(3) . . ?
O41 O68 O22 50(3) . . ?
C24 O22 O41 42(2) . . ?
C24 O22 O68 40(2) . . ?
O41 O22 O68 62(3) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag01 O010 2.313(13) . ?
Ag01 S00M 2.512(4) . ?
Ag01 S00S 2.546(4) . ?
Ag01 O00V 2.578(12) . ?
Ag01 Ag04 2.9810(18) . ?
Ag01 Ag0B 3.0979(19) . ?
Ag01 Ag02 3.0994(18) . ?
Ag01 Ag08 3.2784(19) . ?
Ag02 S00M 2.453(4) . ?
Ag02 S00P 2.460(4) . ?
Ag02 Ag0B 3.0149(18) . ?
Ag02 Ag0I 3.267(2) . ?
Ag03 O00W 2.296(13) . ?
Ag03 S00N 2.516(5) . ?
Ag03 S00L 2.555(4) . ?
Ag03 O012 2.593(13) . ?
Ag03 Ag06 3.0449(19) . ?
Ag03 Ag09 3.1202(18) . ?
Ag03 Ag0E 3.170(2) . ?
Ag03 Ag07 3.2547(19) . ?
Ag04 O65 2.41(2) . ?
Ag04 S00S 2.439(4) . ?
Ag04 S00O 2.442(4) . ?
Ag04 Ag08 3.2036(19) . ?
Ag04 Ag0F 3.3473(19) . ?
Ag05 S00N 2.451(5) . ?
Ag05 S00U 2.452(5) . ?
Ag05 O2 2.546(17) . ?
Ag05 Ag0G 3.066(2) . ?
Ag05 Ag0E 3.1007(19) . ?
Ag05 Ag0D 3.2036(19) . ?
Ag05 Ag09 3.3215(19) . ?
Ag06 S00Q 2.413(4) . ?
Ag06 S00L 2.423(4) . ?
Ag06 O2 2.518(18) . ?
Ag06 Ag0E 3.192(2) . ?
Ag06 Ag0F 3.3448(19) . ?
Ag07 O01D 2.285(14) . ?
Ag07 O012 2.435(12) . ?
Ag07 S00L 2.493(4) . ?
Ag07 S00T 2.498(4) . ?
Ag07 Ag0J 2.945(2) . ?
Ag07 Ag09 3.0235(19) . ?
Ag07 Ag0A 3.1178(19) . ?
Ag08 O011 2.297(14) . ?
Ag08 S00M 2.515(4) . ?
Ag08 S00O 2.515(4) . ?
Ag08 O00V 2.573(12) . ?
Ag08 Ag0C 2.9670(19) . ?
Ag08 Ag0D 3.053(2) . ?
Ag09 S00T 2.445(5) . ?
Ag09 S00N 2.460(5) . ?
Ag09 O2 2.488(17) . ?
Ag09 Ag0I 3.369(2) . ?
Ag0A S00L 2.478(4) . ?
Ag0A S00R 2.502(4) . ?
Ag0A O027 2.594(18) . ?
Ag0A Ag0H 3.0914(19) . ?
Ag0A Ag0J 3.185(2) . ?
Ag0B O01E 2.301(12) . ?
Ag0B O00Y 2.473(13) . ?
Ag0B S00P 2.550(4) . ?
Ag0B S00S 2.553(4) . ?
Ag0B Ag0K 3.042(2) . ?
Ag0B Ag0H 3.218(2) . ?
Ag0C O01B 2.317(14) . ?
Ag0C S00U 2.535(5) . ?
Ag0C S00O 2.539(4) . ?
Ag0C Ag0F 3.091(2) . ?
Ag0C Ag0G 3.214(2) . ?
Ag0C Ag0D 3.257(2) . ?
Ag0D S00U 2.433(5) . ?
Ag0D O65 2.45(2) . ?
Ag0D S00M 2.456(4) . ?
Ag0E O02E 2.328(15) . ?
Ag0E O018 2.390(16) . ?
Ag0E S00N 2.531(4) . ?
Ag0E S00Q 2.581(5) . ?
Ag0E Ag0G 3.008(2) . ?
Ag0F S00Q 2.432(4) . ?
Ag0F S00O 2.442(4) . ?
Ag0F Ag0G 3.112(2) . ?
Ag0G O00X 2.239(14) . ?
Ag0G S00U 2.477(5) . ?
Ag0G S00Q 2.502(5) . ?
Ag0H S00S 2.446(5) . ?
Ag0H S00R 2.454(5) . ?
Ag0H O8 2.51(2) . ?
Ag0H Ag0K 3.067(2) . ?
Ag0I S00P 2.395(4) . ?
Ag0I S00T 2.398(4) . ?
Ag0I O49A 2.41(4) . ?
Ag0I O8 2.49(2) . ?
Ag0I Ag0J 3.203(2) . ?
Ag0J O02T 2.370(17) . ?
Ag0J S00R 2.481(5) . ?
Ag0J S00T 2.552(5) . ?
Ag0K O03E 2.400(18) . ?
Ag0K O020 2.448(19) . ?
Ag0K S00R 2.507(4) . ?
Ag0K S00P 2.517(4) . ?
S00L C017 1.877(15) . ?
S00M C019 1.879(14) . ?
S00N C01M 1.743(13) . ?
S00O C01U 1.858(15) . ?
S00P C016 1.854(16) . ?
S00Q C01K 1.900(17) . ?
S00R C02A 1.859(17) . ?
S00S C01Q 1.697(13) . ?
S00T C02U 1.866(17) . ?
S00U C02J 1.839(18) . ?
O00V C025 1.20(2) . ?
O00W C01R 1.23(2) . ?
O00X C02Q 1.29(2) . ?
O00Y C01L 1.27(2) . ?
O010 C01L 1.21(2) . ?
O011 C035 1.22(3) . ?
O012 C02R 1.29(2) . ?
F013 C024 1.32(3) . ?
F014 C024 1.37(2) . ?
F015 C024 1.32(2) . ?
C016 C02H 1.46(3) . ?
C016 C03A 1.50(3) . ?
C016 C01Z 1.50(2) . ?
C017 C02V 1.46(2) . ?
C017 C02L 1.48(2) . ?
C017 C03L 1.50(3) . ?
O018 C02Q 1.18(3) . ?
C019 C01O 1.53(2) . ?
C019 C01W 1.53(2) . ?
C019 C01I 1.56(2) . ?
F01A C023 1.361(14) . ?
O01B C035 1.18(3) . ?
F01C C26 1.357(15) . ?
O01D C03Q 1.19(3) . ?
O01E C028 1.20(3) . ?
F01H C02W 1.28(3) . ?
C01I H01A 0.9600 . ?
C01I H01B 0.9600 . ?
C01I H01C 0.9600 . ?
F01J C02M 1.33(3) . ?
C01K C033 1.50(3) . ?
C01K C02Z 1.50(3) . ?
C01K C02I 1.53(3) . ?
C01L C024 1.51(3) . ?
C01M C83A 1.663(17) . ?
C01M C86 1.668(17) . ?
C01M C43A 1.672(18) . ?
C01M C83 1.679(18) . ?
C01M C43 1.686(18) . ?
C01M C86A 1.687(18) . ?
F01N C02M 1.26(3) . ?
C01O H01D 0.9600 . ?
C01O H01E 0.9600 . ?
C01O H01F 0.9600 . ?
F01P C02M 1.33(3) . ?
C01Q C03U 1.626(17) . ?
C01Q C03F 1.632(17) . ?
C01Q C03G 1.638(18) . ?
C01Q C28 1.640(17) . ?
C01Q C2 1.642(18) . ?
C01Q C28A 1.642(18) . ?
C01R O02E 1.23(2) . ?
C01R C023 1.392(13) . ?
N01S C02R 1.31(2) . ?
N01S C026 1.42(2) . ?
N01S C02B 1.49(2) . ?
C01U C03M 1.43(3) . ?
C01U C040 1.49(3) . ?
C01U C03I 1.50(3) . ?
N01V C025 1.27(2) . ?
N01V C03N 1.39(3) . ?
N01V C034 1.50(3) . ?
C01W H01G 0.9600 . ?
C01W H01H 0.9600 . ?
C01W H01I 0.9600 . ?
N01X C02Y 1.29(3) . ?
N01X C03C 1.47(3) . ?
N01X C03S 1.48(3) . ?
F01Y C02W 1.27(3) . ?
C01Z H01J 0.9600 . ?
C01Z H01K 0.9600 . ?
C01Z H01L 0.9600 . ?
O020 C028 1.23(3) . ?
F022 C03T 1.30(3) . ?
C023 F02H 1.333(15) . ?
C023 F110 1.335(14) . ?
C023 F1 1.356(14) . ?
C023 F01B 1.388(15) . ?
C023 F02G 1.398(15) . ?
C025 H025 0.9300 . ?
C026 H02A 0.9600 . ?
C026 H02B 0.9600 . ?
C026 H02C 0.9600 . ?
O027 C031 1.24(3) . ?
C028 C26 1.384(15) . ?
O029 C02Y 1.25(3) . ?
C02A C03O 1.42(3) . ?
C02A C042 1.49(3) . ?
C02A C02P 1.55(3) . ?
C02B H02D 0.9600 . ?
C02B H02E 0.9600 . ?
C02B H02F 0.9600 . ?
F02D C03T 1.22(3) . ?
F02F C02W 1.32(3) . ?
C02H H02G 0.9600 . ?
C02H H02H 0.9600 . ?
C02H H02I 0.9600 . ?
C02I H02J 0.9600 . ?
C02I H02K 0.9600 . ?
C02I H02L 0.9600 . ?
C02J C03K 1.40(3) . ?
C02J C02S 1.46(3) . ?
C02J C044 1.57(4) . ?
C02L H02M 0.9600 . ?
C02L H02N 0.9600 . ?
C02L H02O 0.9600 . ?
C02M C02Q 1.55(3) . ?
O02N C031 1.22(2) . ?
C02P H02P 0.9600 . ?
C02P H02Q 0.9600 . ?
C02P H02R 0.9600 . ?
C02R H02S 0.9300 . ?
C02S H02T 0.9600 . ?
C02S H02U 0.9600 . ?
C02S H02V 0.9600 . ?
O02T C03Q 1.22(3) . ?
C02U C32 1.38(3) . ?
C02U C22 1.40(3) . ?
C02U C03V 1.47(4) . ?
C02V H02W 0.9600 . ?
C02V H02X 0.9600 . ?
C02V H02Y 0.9600 . ?
C02W C031 1.50(3) . ?
C02Y H02 0.9300 . ?
C02Z H02Z 0.9600 . ?
C02Z HA 0.9600 . ?
C02Z HB 0.9600 . ?
F030 C26 1.357(15) . ?
F032 C1 1.408(16) . ?
C033 H03A 0.9600 . ?
C033 H03B 0.9600 . ?
C033 H03C 0.9600 . ?
C034 H03D 0.9600 . ?
C034 H03E 0.9600 . ?
C034 H03F 0.9600 . ?
C035 C03T 1.58(3) . ?
F037 C1 1.420(16) . ?
F038 C1 1.413(16) . ?
N039 C 1.33(3) . ?
N039 C21 1.50(3) . ?
N039 C37 1.53(4) . ?
C03A H03G 0.9600 . ?
C03A H03H 0.9600 . ?
C03A H03I 0.9600 . ?
F03B C03T 1.32(3) . ?
C03C H3 0.9600 . ?
C03C HC 0.9600 . ?
C03C HD 0.9600 . ?
O03E C 1.24(3) . ?
C03F H03J 0.9601 . ?
C03F H03K 0.9601 . ?
C03F H03L 0.9600 . ?
C H 0.9300 . ?
C03I H03M 0.9600 . ?
C03I H03N 0.9600 . ?
C03I H03O 0.9600 . ?
C03K H03P 0.9600 . ?
C03K H03Q 0.9600 . ?
C03K H03R 0.9600 . ?
C03L H03S 0.9600 . ?
C03L H03T 0.9600 . ?
C03L H03U 0.9600 . ?
C03M H03V 0.9600 . ?
C03M H03W 0.9600 . ?
C03M H03X 0.9600 . ?
C03N H03Y 0.9600 . ?
C03N HE 0.9600 . ?
C03N HF 0.9600 . ?
C03O H03Z 0.9600 . ?
C03O HG 0.9600 . ?
C03O HH 0.9600 . ?
C03Q C1 1.434(15) . ?
F03R C26 1.344(15) . ?
C03S H4 0.9600 . ?
C03S HI 0.9600 . ?
C03S HJ 0.9600 . ?
C03U H03 0.9601 . ?
C03U HK 0.9601 . ?
C03U HL 0.9601 . ?
C03V H1 0.9600 . ?
C03V HM 0.9600 . ?
C03V HN 0.9600 . ?
C040 H04A 0.9600 . ?
C040 H04B 0.9600 . ?
C040 H04C 0.9600 . ?
C042 H04D 0.9600 . ?
C042 H04E 0.9600 . ?
C042 H04F 0.9600 . ?
C044 H04G 0.9600 . ?
C044 H04H 0.9600 . ?
C044 H04I 0.9600 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C22 H22A 0.9608 . ?
C22 H22B 0.9607 . ?
C22 H22C 0.9607 . ?
C32 H32A 0.9601 . ?
C32 H32B 0.9601 . ?
C32 H32C 0.9601 . ?
C37 H37A 0.9601 . ?
C37 H37B 0.9601 . ?
C37 H37C 0.9601 . ?
C43 H43A 0.9601 . ?
C43 H43B 0.9601 . ?
C43 H43C 0.9601 . ?
C83 H83A 0.9601 . ?
C83 H83B 0.9601 . ?
C83 H83C 0.9601 . ?
C86 H86A 0.9600 . ?
C86 H86B 0.9600 . ?
C86 H86C 0.9600 . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
F22 C107 1.350(16) . ?
F23 C107 1.361(16) . ?
C24 O41 0.96(4) . ?
C24 O68 1.09(5) . ?
C24 O22 1.28(5) . ?
C24 O49A 1.373(18) . ?
C24 C107 1.386(14) . ?
F35 C107 1.379(16) . ?
C107 F23A 1.366(16) . ?
C107 F35A 1.375(17) . ?
C107 F22A 1.377(17) . ?
C1 F3 1.411(17) . ?
C1 F0 1.416(17) . ?
C1 F2 1.426(17) . ?
O8 C9 1.24(2) . ?
C9 O65 1.18(2) . ?
C9 O2 1.25(2) . ?
C86A H86D 0.9600 . ?
C86A H86E 0.9600 . ?
C86A H86F 0.9600 . ?
C83A H83D 0.9601 . ?
C83A H83E 0.9601 . ?
C83A H83F 0.9601 . ?
C43A H43D 0.9600 . ?
C43A H43E 0.9600 . ?
C43A H43F 0.9600 . ?
C28A H28D 0.9604 . ?
C28A H28E 0.9604 . ?
C28A H28F 0.9604 . ?
C2 H2A 0.9606 . ?
C2 H2B 0.9605 . ?
C2 H2C 0.9606 . ?
C03G H2 0.9601 . ?
C03G HO 0.9601 . ?
C03G HP 0.9601 . ?
O49A O68 1.05(7) . ?
O49A O41 1.58(6) . ?
O41 O22 1.39(6) . ?
O41 O68 1.59(6) . ?
O68 O22 1.68(7) . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ag0I S00P C016 C02H -152.2(14) . . . . ?
Ag02 S00P C016 C02H 111.6(15) . . . . ?
Ag0K S00P C016 C02H -51.5(16) . . . . ?
Ag0B S00P C016 C02H 29.1(17) . . . . ?
Ag0I S00P C016 C03A 82.2(17) . . . . ?
Ag02 S00P C016 C03A -14.0(18) . . . . ?
Ag0K S00P C016 C03A -177.1(15) . . . . ?
Ag0B S00P C016 C03A -96.5(17) . . . . ?
Ag0I S00P C016 C01Z -34.5(16) . . . . ?
Ag02 S00P C016 C01Z -130.7(13) . . . . ?
Ag0K S00P C016 C01Z 66.2(15) . . . . ?
Ag0B S00P C016 C01Z 146.8(13) . . . . ?
Ag06 S00L C017 C02V 97.5(16) . . . . ?
Ag0A S00L C017 C02V -162.2(14) . . . . ?
Ag07 S00L C017 C02V -75.1(16) . . . . ?
Ag03 S00L C017 C02V 13.9(17) . . . . ?
Ag06 S00L C017 C02L -20.4(15) . . . . ?
Ag0A S00L C017 C02L 80.0(14) . . . . ?
Ag07 S00L C017 C02L 167.0(12) . . . . ?
Ag03 S00L C017 C02L -104.0(13) . . . . ?
Ag06 S00L C017 C03L -139.9(15) . . . . ?
Ag0A S00L C017 C03L -39.6(17) . . . . ?
Ag07 S00L C017 C03L 47.4(17) . . . . ?
Ag03 S00L C017 C03L 136.4(15) . . . . ?
Ag02 S00M C019 C01O -3.8(13) . . . . ?
Ag0D S00M C019 C01O -103.8(11) . . . . ?
Ag01 S00M C019 C01O 82.3(12) . . . . ?
Ag08 S00M C019 C01O 172.1(10) . . . . ?
Ag02 S00M C019 C01W 118.8(11) . . . . ?
Ag0D S00M C019 C01W 18.8(14) . . . . ?
Ag01 S00M C019 C01W -155.1(11) . . . . ?
Ag08 S00M C019 C01W -65.3(13) . . . . ?
Ag02 S00M C019 C01I -123.3(10) . . . . ?
Ag0D S00M C019 C01I 136.7(9) . . . . ?
Ag01 S00M C019 C01I -37.2(12) . . . . ?
Ag08 S00M C019 C01I 52.7(11) . . . . ?
Ag06 S00Q C01K C033 -7(2) . . . . ?
Ag0F S00Q C01K C033 -110.2(17) . . . . ?
Ag0G S00Q C01K C033 161.3(17) . . . . ?
Ag0E S00Q C01K C033 81.7(19) . . . . ?
Ag06 S00Q C01K C02Z -125.5(15) . . . . ?
Ag0F S00Q C01K C02Z 131.8(15) . . . . ?
Ag0G S00Q C01K C02Z 43.3(17) . . . . ?
Ag0E S00Q C01K C02Z -36.3(17) . . . . ?
Ag06 S00Q C01K C02I 110.3(15) . . . . ?
Ag0F S00Q C01K C02I 7.6(18) . . . . ?
Ag0G S00Q C01K C02I -80.9(17) . . . . ?
Ag0E S00Q C01K C02I -160.5(14) . . . . ?
Ag01 O010 C01L O00Y 0(3) . . . . ?
Ag01 O010 C01L C024 -171.7(14) . . . . ?
Ag0B O00Y C01L O010 -54(3) . . . . ?
Ag0B O00Y C01L C024 117.5(16) . . . . ?
Ag05 S00N C01M C83A -23.1(17) . . . . ?
Ag09 S00N C01M C83A -121.2(15) . . . . ?
Ag03 S00N C01M C83A 151.1(15) . . . . ?
Ag0E S00N C01M C83A 64.1(16) . . . . ?
Ag05 S00N C01M C86 156.8(15) . . . . ?
Ag09 S00N C01M C86 58.6(16) . . . . ?
Ag03 S00N C01M C86 -29.1(17) . . . . ?
Ag0E S00N C01M C86 -116.1(15) . . . . ?
Ag05 S00N C01M C43A -147.9(17) . . . . ?
Ag09 S00N C01M C43A 114.0(18) . . . . ?
Ag03 S00N C01M C43A 26.3(18) . . . . ?
Ag0E S00N C01M C43A -60.7(18) . . . . ?
Ag05 S00N C01M C83 34(2) . . . . ?
Ag09 S00N C01M C83 -64(2) . . . . ?
Ag03 S00N C01M C83 -152(2) . . . . ?
Ag0E S00N C01M C83 121(2) . . . . ?
Ag05 S00N C01M C43 -85.0(18) . . . . ?
Ag09 S00N C01M C43 176.8(17) . . . . ?
Ag03 S00N C01M C43 89.1(18) . . . . ?
Ag0E S00N C01M C43 2.1(18) . . . . ?
Ag05 S00N C01M C86A 94.1(16) . . . . ?
Ag09 S00N C01M C86A -4.1(17) . . . . ?
Ag03 S00N C01M C86A -91.7(16) . . . . ?
Ag0E S00N C01M C86A -178.8(15) . . . . ?
Ag04 S00S C01Q C03U -68.7(18) . . . . ?
Ag0H S00S C01Q C03U -169.5(15) . . . . ?
Ag01 S00S C01Q C03U 13.4(18) . . . . ?
Ag0B S00S C01Q C03U 98.3(17) . . . . ?
Ag04 S00S C01Q C03F 171.8(16) . . . . ?
Ag0H S00S C01Q C03F 71.0(18) . . . . ?
Ag01 S00S C01Q C03F -106.2(17) . . . . ?
Ag0B S00S C01Q C03F -21.2(19) . . . . ?
Ag04 S00S C01Q C03G 129(2) . . . . ?
Ag0H S00S C01Q C03G 28(3) . . . . ?
Ag01 S00S C01Q C03G -149(2) . . . . ?
Ag0B S00S C01Q C03G -64(2) . . . . ?
Ag04 S00S C01Q C28 52(2) . . . . ?
Ag0H S00S C01Q C28 -49(2) . . . . ?
Ag01 S00S C01Q C28 133.8(18) . . . . ?
Ag0B S00S C01Q C28 -141.3(17) . . . . ?
Ag04 S00S C01Q C2 -129(4) . . . . ?
Ag0H S00S C01Q C2 130(3) . . . . ?
Ag01 S00S C01Q C2 -47(4) . . . . ?
Ag0B S00S C01Q C2 38(4) . . . . ?
Ag04 S00S C01Q C28A -6(3) . . . . ?
Ag0H S00S C01Q C28A -106(3) . . . . ?
Ag01 S00S C01Q C28A 76(3) . . . . ?
Ag0B S00S C01Q C28A 161(3) . . . . ?
Ag03 O00W C01R O02E 9(3) . . . . ?
Ag03 O00W C01R C023 -175.3(13) . . . . ?
Ag04 S00O C01U C03M 108.5(17) . . . . ?
Ag0F S00O C01U C03M -147.6(16) . . . . ?
Ag08 S00O C01U C03M 17.1(19) . . . . ?
Ag0C S00O C01U C03M -61.2(18) . . . . ?
Ag04 S00O C01U C040 -128.3(17) . . . . ?
Ag0F S00O C01U C040 -24(2) . . . . ?
Ag08 S00O C01U C040 140.2(17) . . . . ?
Ag0C S00O C01U C040 61.9(18) . . . . ?
Ag04 S00O C01U C03I -10.6(19) . . . . ?
Ag0F S00O C01U C03I 93.3(17) . . . . ?
Ag08 S00O C01U C03I -102.1(17) . . . . ?
Ag0C S00O C01U C03I 179.6(16) . . . . ?
O02E C01R C023 F02H 120(2) . . . . ?
O00W C01R C023 F02H -56(3) . . . . ?
O02E C01R C023 F110 -52(3) . . . . ?
O00W C01R C023 F110 132(2) . . . . ?
O02E C01R C023 F1 -14(3) . . . . ?
O00W C01R C023 F1 170(2) . . . . ?
O02E C01R C023 F01A 173(2) . . . . ?
O00W C01R C023 F01A -2(3) . . . . ?
O02E C01R C023 F01B -125(2) . . . . ?
O00W C01R C023 F01B 59(2) . . . . ?
O02E C01R C023 F02G 64(3) . . . . ?
O00W C01R C023 F02G -112(2) . . . . ?
O010 C01L C024 F015 77(2) . . . . ?
O00Y C01L C024 F015 -96(2) . . . . ?
O010 C01L C024 F013 -46(3) . . . . ?
O00Y C01L C024 F013 141.0(18) . . . . ?
O010 C01L C024 F014 -165(2) . . . . ?
O00Y C01L C024 F014 22(3) . . . . ?
Ag08 O00V C025 N01V 42(4) . . . . ?
Ag01 O00V C025 N01V 148(2) . . . . ?
C03N N01V C025 O00V -178(2) . . . . ?
C034 N01V C025 O00V -1(4) . . . . ?
Ag0B O01E C028 O020 13(4) . . . . ?
Ag0B O01E C028 C26 -171.3(16) . . . . ?
Ag0K O020 C028 O01E 22(4) . . . . ?
Ag0K O020 C028 C26 -154.7(15) . . . . ?
Ag0H S00R C02A C03O -8.0(18) . . . . ?
Ag0J S00R C02A C03O 178.4(15) . . . . ?
Ag0A S00R C02A C03O -93.3(16) . . . . ?
Ag0K S00R C02A C03O 75.1(17) . . . . ?
Ag0H S00R C02A C042 -127.3(17) . . . . ?
Ag0J S00R C02A C042 59.2(19) . . . . ?
Ag0A S00R C02A C042 147.5(17) . . . . ?
Ag0K S00R C02A C042 -44.1(19) . . . . ?
Ag0H S00R C02A C02P 110.8(16) . . . . ?
Ag0J S00R C02A C02P -62.7(17) . . . . ?
Ag0A S00R C02A C02P 25.6(18) . . . . ?
Ag0K S00R C02A C02P -166.0(15) . . . . ?
O00W C01R O02E Ag0E 24(4) . . . . ?
C023 C01R O02E Ag0E -151.2(17) . . . . ?
Ag0D S00U C02J C03K -22(3) . . . . ?
Ag05 S00U C02J C03K -114(2) . . . . ?
Ag0G S00U C02J C03K 161(2) . . . . ?
Ag0C S00U C02J C03K 72(3) . . . . ?
Ag0D S00U C02J C02S 121.2(17) . . . . ?
Ag05 S00U C02J C02S 28(2) . . . . ?
Ag0G S00U C02J C02S -56(2) . . . . ?
Ag0C S00U C02J C02S -145.0(17) . . . . ?
Ag0D S00U C02J C044 -135.4(16) . . . . ?
Ag05 S00U C02J C044 131.9(16) . . . . ?
Ag0G S00U C02J C044 47.2(18) . . . . ?
Ag0C S00U C02J C044 -41.5(19) . . . . ?
Ag0E O018 C02Q O00X 25(4) . . . . ?
Ag0E O018 C02Q C02M -165.8(17) . . . . ?
Ag0G O00X C02Q O018 -6(3) . . . . ?
Ag0G O00X C02Q C02M -175.5(15) . . . . ?
F01N C02M C02Q O018 -77(4) . . . . ?
F01J C02M C02Q O018 156(3) . . . . ?
F01P C02M C02Q O018 40(3) . . . . ?
F01N C02M C02Q O00X 93(3) . . . . ?
F01J C02M C02Q O00X -34(3) . . . . ?
F01P C02M C02Q O00X -150(2) . . . . ?
Ag07 O012 C02R N01S 163.7(17) . . . . ?
Ag03 O012 C02R N01S 22(6) . . . . ?
C026 N01S C02R O012 -4(3) . . . . ?
C02B N01S C02R O012 172.8(19) . . . . ?
Ag0I S00T C02U C32 162(3) . . . . ?
Ag09 S00T C02U C32 -96(3) . . . . ?
Ag07 S00T C02U C32 -10(3) . . . . ?
Ag0J S00T C02U C32 70(3) . . . . ?
Ag0I S00T C02U C22 26(3) . . . . ?
Ag09 S00T C02U C22 129(2) . . . . ?
Ag07 S00T C02U C22 -146(2) . . . . ?
Ag0J S00T C02U C22 -66(3) . . . . ?
Ag0I S00T C02U C03V -89(2) . . . . ?
Ag09 S00T C02U C03V 14(3) . . . . ?
Ag07 S00T C02U C03V 100(2) . . . . ?
Ag0J S00T C02U C03V 180(2) . . . . ?
C03C N01X C02Y O029 -2(5) . . . . ?
C03S N01X C02Y O029 176(3) . . . . ?
Ag0A O027 C031 O02N -10(3) . . . . ?
Ag0A O027 C031 C02W 158.1(17) . . . . ?
F01Y C02W C031 O02N -14(4) . . . . ?
F01H C02W C031 O02N 110(3) . . . . ?
F02F C02W C031 O02N -136(2) . . . . ?
F01Y C02W C031 O027 177(3) . . . . ?
F01H C02W C031 O027 -60(3) . . . . ?
F02F C02W C031 O027 55(3) . . . . ?
Ag0C O01B C035 O011 -10(4) . . . . ?
Ag0C O01B C035 C03T 165.0(18) . . . . ?
Ag08 O011 C035 O01B 4(4) . . . . ?
Ag08 O011 C035 C03T -171.5(16) . . . . ?
Ag0K O03E C N039 -157(2) . . . . ?
C21 N039 C O03E -177(3) . . . . ?
C37 N039 C O03E 5(5) . . . . ?
Ag07 O01D C03Q O02T 3(4) . . . . ?
Ag07 O01D C03Q C1 179.9(13) . . . . ?
Ag0J O02T C03Q O01D -5(4) . . . . ?
Ag0J O02T C03Q C1 177.8(12) . . . . ?
O01B C035 C03T F02D 146(3) . . . . ?
O011 C035 C03T F02D -38(4) . . . . ?
O01B C035 C03T F022 -90(3) . . . . ?
O011 C035 C03T F022 86(3) . . . . ?
O01B C035 C03T F03B 27(4) . . . . ?
O011 C035 C03T F03B -157(3) . . . . ?
O01E C028 C26 F03R 119(3) . . . . ?
O020 C028 C26 F03R -64(3) . . . . ?
O01E C028 C26 F01C 1(3) . . . . ?
O020 C028 C26 F01C 178(2) . . . . ?
O01E C028 C26 F030 -120(3) . . . . ?
O020 C028 C26 F030 56(3) . . . . ?
O41 C24 C107 F22 55(4) . . . . ?
O68 C24 C107 F22 -141(5) . . . . ?
O22 C24 C107 F22 -32(4) . . . . ?
O41 C24 C107 F23 -67(4) . . . . ?
O68 C24 C107 F23 97(5) . . . . ?
O22 C24 C107 F23 -154(3) . . . . ?
O41 C24 C107 F23A -109(4) . . . . ?
O68 C24 C107 F23A 55(5) . . . . ?
O22 C24 C107 F23A 163(3) . . . . ?
O49A C24 C107 F23A -4(5) . . . . ?
O41 C24 C107 F35A 123(4) . . . . ?
O68 C24 C107 F35A -72(5) . . . . ?
O22 C24 C107 F35A 36(4) . . . . ?
O49A C24 C107 F35A -131(5) . . . . ?
O41 C24 C107 F35 178(4) . . . . ?
O68 C24 C107 F35 -18(5) . . . . ?
O22 C24 C107 F35 91(3) . . . . ?
O41 C24 C107 F22A 10(5) . . . . ?
O68 C24 C107 F22A 175(5) . . . . ?
O22 C24 C107 F22A -77(4) . . . . ?
O49A C24 C107 F22A 115(5) . . . . ?
O01D C03Q C1 F032 179(2) . . . . ?
O02T C03Q C1 F032 -3(3) . . . . ?
O01D C03Q C1 F3 25(3) . . . . ?
O02T C03Q C1 F3 -157(2) . . . . ?
O01D C03Q C1 F038 55(3) . . . . ?
O02T C03Q C1 F038 -127(2) . . . . ?
O01D C03Q C1 F0 -105(3) . . . . ?
O02T C03Q C1 F0 73(3) . . . . ?
O01D C03Q C1 F037 -60(3) . . . . ?
O02T C03Q C1 F037 118(2) . . . . ?
O01D C03Q C1 F2 142(2) . . . . ?
O02T C03Q C1 F2 -40(3) . . . . ?
Ag0I O8 C9 O65 -100(2) . . . . ?
Ag0H O8 C9 O65 48(3) . . . . ?
Ag0I O8 C9 O2 73(2) . . . . ?
Ag0H O8 C9 O2 -138.6(14) . . . . ?
O8 C9 O65 Ag04 -53(3) . . . . ?
O2 C9 O65 Ag04 134.5(17) . . . . ?
O8 C9 O65 Ag0D 113(2) . . . . ?
O2 C9 O65 Ag0D -59(3) . . . . ?
O65 C9 O2 Ag09 134.9(17) . . . . ?
O8 C9 O2 Ag09 -39(2) . . . . ?
O65 C9 O2 Ag06 -92(2) . . . . ?
O8 C9 O2 Ag06 94.4(17) . . . . ?
O65 C9 O2 Ag05 33(2) . . . . ?
O8 C9 O2 Ag05 -140.7(15) . . . . ?
O41 C24 O49A O68 -113(6) . . . . ?
O22 C24 O49A O68 -47(8) . . . . ?
C107 C24 O49A O68 118(5) . . . . ?
O68 C24 O49A O41 113(6) . . . . ?
O22 C24 O49A O41 66(5) . . . . ?
C107 C24 O49A O41 -129(4) . . . . ?
O41 C24 O49A Ag0I 53(13) . . . . ?
O68 C24 O49A Ag0I 166(17) . . . . ?
O22 C24 O49A Ag0I 119(12) . . . . ?
C107 C24 O49A Ag0I -76(14) . . . . ?
O68 C24 O41 O22 87(4) . . . . ?
O49A C24 O41 O22 132(4) . . . . ?
C107 C24 O41 O22 -105(4) . . . . ?
O68 C24 O41 O49A -45(4) . . . . ?
O22 C24 O41 O49A -132(4) . . . . ?
C107 C24 O41 O49A 122(5) . . . . ?
O22 C24 O41 O68 -87(4) . . . . ?
O49A C24 O41 O68 45(4) . . . . ?
C107 C24 O41 O68 168(5) . . . . ?
O68 O49A O41 C24 49(5) . . . . ?
Ag0I O49A O41 C24 -157(6) . . . . ?
O68 O49A O41 O22 6(6) . . . . ?
C24 O49A O41 O22 -43(4) . . . . ?
Ag0I O49A O41 O22 160(5) . . . . ?
C24 O49A O41 O68 -49(5) . . . . ?
Ag0I O49A O41 O68 154(9) . . . . ?
O41 O49A O68 C24 -36(3) . . . . ?
Ag0I O49A O68 C24 -168(14) . . . . ?
C24 O49A O68 O41 36(3) . . . . ?
Ag0I O49A O68 O41 -133(15) . . . . ?
C24 O49A O68 O22 30(4) . . . . ?
O41 O49A O68 O22 -5(6) . . . . ?
Ag0I O49A O68 O22 -138(11) . . . . ?
O41 C24 O68 O49A 70(6) . . . . ?
O22 C24 O68 O49A 145(6) . . . . ?
C107 C24 O68 O49A -98(6) . . . . ?
O22 C24 O68 O41 75(3) . . . . ?
O49A C24 O68 O41 -70(6) . . . . ?
C107 C24 O68 O41 -167(5) . . . . ?
O41 C24 O68 O22 -75(3) . . . . ?
O49A C24 O68 O22 -145(6) . . . . ?
C107 C24 O68 O22 118(4) . . . . ?
C24 O41 O68 O49A -101(6) . . . . ?
O22 O41 O68 O49A -174(7) . . . . ?
O22 O41 O68 C24 -73(4) . . . . ?
O49A O41 O68 C24 101(6) . . . . ?
C24 O41 O68 O22 73(4) . . . . ?
O49A O41 O68 O22 174(7) . . . . ?
O68 C24 O22 O41 -102(4) . . . . ?
O49A C24 O22 O41 -69(5) . . . . ?
C107 C24 O22 O41 125(3) . . . . ?
O41 C24 O22 O68 102(4) . . . . ?
O49A C24 O22 O68 33(6) . . . . ?
C107 C24 O22 O68 -133(4) . . . . ?
O49A O41 O22 C24 42(4) . . . . ?
O68 O41 O22 C24 46(3) . . . . ?
C24 O41 O22 O68 -46(3) . . . . ?
O49A O41 O22 O68 -4(4) . . . . ?
O49A O68 O22 C24 -41(6) . . . . ?
O41 O68 O22 C24 -48(3) . . . . ?
O49A O68 O22 O41 7(7) . . . . ?
C24 O68 O22 O41 48(3) . . . . ?
