#------------------------------------------------------------------------------
#$Date: 2016-03-22 22:09:21 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179033 $
#$URL: svn://www.crystallography.net/cod/cif/4/12/31/4123139.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_4123139
loop_
_publ_author_name
'Omoto, Kenichiro'
'Tashiro, Shohei'
'Kuritani, Masumi'
'Shionoya, Mitsuhiko'
_publ_section_title
;
 Multipoint Recognition of Ditopic Aromatic Guest Molecules via Ag-π
 Interactions within a Dimetal Macrocycle.
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              141216134140000
_journal_paper_doi               10.1021/ja5106249
_journal_year                    2014
_chemical_formula_moiety
'C104 H80 Ag2 N4 O4, C112 H96 Ag2 N4 O4, 4(F6 Sb), 8.28(C H Cl3), 6.7(H2 O)'
_chemical_formula_sum
'C224.28 H197.68 Ag4 Cl24.85 F24 N8 O14.7 Sb4'
_chemical_formula_weight         5478.22
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                92.3790(10)
_cell_angle_beta                 90.2280(10)
_cell_angle_gamma                105.3960(10)
_cell_formula_units_Z            1
_cell_length_a                   12.4086(6)
_cell_length_b                   22.2413(9)
_cell_length_c                   23.7368(10)
_cell_measurement_reflns_used    28484
_cell_measurement_temperature    113
_cell_measurement_theta_max      25.34
_cell_measurement_theta_min      3.00
_cell_volume                     6309.7(5)
_computing_cell_refinement       'RAPID AUTO'
_computing_data_collection       'RAPID AUTO (Rigaku, ????)'
_computing_data_reduction        'RAPID AUTO'
_computing_molecular_graphics    'CrystalStructure 4.1'
_computing_publication_material  'CrystalStructure 4.1 (Rigaku, 2014)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      113
_diffrn_detector_area_resol_mean 10.000
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0657
_diffrn_reflns_Laue_measured_fraction_full 0.000
_diffrn_reflns_Laue_measured_fraction_max 0.000
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            50534
_diffrn_reflns_point_group_measured_fraction_full 0.000
_diffrn_reflns_point_group_measured_fraction_max 0.000
_diffrn_reflns_theta_full        25.350
_diffrn_reflns_theta_max         25.350
_diffrn_reflns_theta_min         3.004
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.059
_exptl_absorpt_correction_T_max  0.900
_exptl_absorpt_correction_T_min  0.543
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.442
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             2730.01
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.100
_refine_diff_density_max         1.73
_refine_diff_density_min         -1.69
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.112
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     1369
_refine_ls_number_reflns         22741
_refine_ls_number_restraints     48
_refine_ls_R_factor_all          0.1247
_refine_ls_R_factor_gt           0.0798
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.1502P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2229
_refine_ls_wR_factor_ref         0.2675
_reflns_number_gt                13521
_reflns_number_total             22741
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            ja5106249_si_006.cif
_cod_data_source_block           Ag2L1
_cod_database_code               4123139
loop_
_symmetry_equiv_pos_site_id
_space_group_symop_operation_xyz
1 +X,+Y,+Z
2 -X,-Y,-Z
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_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Sb1 Sb -0.00647(5) 0.68435(2) 0.97538(2) 0.03791(17) Uani 1 2 d .
Sb2 Sb 0.15036(5) 0.54686(3) 0.32895(2) 0.04472(19) Uani 1 2 d .
Ag1 Ag 0.26959(6) 0.48708(3) 0.65902(3) 0.0497(2) Uani 1 2 d .
Ag2 Ag 0.36297(7) 0.78793(3) 1.01188(3) 0.0526(2) Uani 1 2 d .
Cl1A Cl 0.0996(4) 0.3006(2) 0.26027(19) 0.0795(16) Uani 0.659(6) 2 d .
Cl1B Cl 0.4484(3) 0.51627(15) 0.13374(11) 0.0810(9) Uani 1 2 d .
Cl1C Cl 0.3593(8) 0.8163(5) 0.3187(4) 0.132(4) Uiso 0.483(8) 2 d .
Cl1D Cl -0.4317(2) 0.58332(12) 0.99973(11) 0.0675(7) Uani 1 2 d .
Cl1E Cl 0.9945(7) 1.0508(4) 0.1782(3) 0.109(3) Uiso 0.488(6) 2 d .
Cl1F Cl 0.9116(6) 0.8961(3) 0.3965(3) 0.096(2) Uiso 0.512(6) 2 d .
Cl2A Cl 0.1626(5) 0.3397(3) 0.3768(2) 0.0942(18) Uani 0.659(6) 2 d .
Cl2B Cl 0.3223(3) 0.42055(17) 0.2067(3) 0.1380(18) Uani 1 2 d .
Cl2C Cl 0.2099(9) 0.8297(5) 0.4041(4) 0.138(4) Uiso 0.483(8) 2 d .
Cl2D Cl -0.2704(2) 0.62105(14) 1.09066(10) 0.0667(7) Uani 1 2 d .
Cl2E Cl 1.0060(9) 1.1305(4) 0.2728(4) 0.130(3) Uiso 0.488(6) 2 d .
Cl2F Cl 0.9296(14) 0.9532(7) 0.2875(7) 0.233(7) Uiso 0.512(6) 2 d .
Cl3A Cl -0.0588(4) 0.2658(2) 0.3494(2) 0.0822(16) Uani 0.659(6) 2 d .
Cl3B Cl 0.5536(3) 0.47927(13) 0.22920(11) 0.0694(7) Uani 1 2 d .
Cl3C Cl 0.1321(9) 0.7770(5) 0.2917(4) 0.139(4) Uiso 0.483(8) 2 d .
Cl3D Cl -0.4165(3) 0.69738(17) 1.06379(15) 0.0944(10) Uani 1 2 d .
Cl3E Cl 0.8662(8) 1.0166(5) 0.2794(4) 0.130(3) Uiso 0.488(6) 2 d .
Cl3F Cl 0.7958(9) 0.8330(4) 0.3030(4) 0.119(3) Uiso 0.512(6) 2 d .
F1 F -0.1291(4) 0.6164(2) 0.9581(2) 0.0548(13) Uani 1 2 d .
F2 F 0.0905(4) 0.6417(2) 0.9430(2) 0.0527(13) Uani 1 2 d .
F3 F 0.0117(4) 0.6525(2) 1.04594(19) 0.0485(12) Uani 1 2 d .
F4 F -0.1015(4) 0.7285(2) 1.0064(3) 0.0624(15) Uani 1 2 d .
F5 F -0.0219(4) 0.7150(3) 0.9038(2) 0.0565(14) Uani 1 2 d .
F6 F 0.1166(4) 0.7526(2) 0.9921(2) 0.0491(12) Uani 1 2 d .
F7 F 0.2205(5) 0.6242(3) 0.3644(2) 0.0690(16) Uani 1 2 d .
F8 F 0.0154(5) 0.5493(2) 0.3632(2) 0.0588(14) Uani 1 2 d .
F9 F 0.1141(5) 0.5896(3) 0.2683(2) 0.0756(18) Uani 1 2 d .
F10 F 0.0757(5) 0.4699(3) 0.2946(2) 0.0710(17) Uani 1 2 d .
F11 F 0.1870(6) 0.5066(3) 0.3905(3) 0.084(2) Uani 1 2 d .
F12 F 0.2824(5) 0.5439(3) 0.2934(3) 0.0801(19) Uani 1 2 d .
O1W O 0.8424(13) 0.8248(6) 0.2909(6) 0.055(4) Uiso 0.488(6) 2 d .
O1X O 0.3827(6) 0.4673(3) 0.5945(3) 0.0641(18) Uani 1 2 d .
O1 O 0.5126(7) 0.8815(3) 0.4675(3) 0.067(2) Uani 1 2 d .
O1Y O 0.4266(13) 0.8898(4) 1.0070(7) 0.195(7) Uani 1 2 d .
O2 O 0.7035(8) 0.9382(4) 0.6522(3) 0.089(3) Uani 1 2 d .
O2W O 1.0744(17) 1.0229(9) 0.2861(8) 0.034(5) Uiso 0.256(3) 2 d .
O3W O 1.0958(18) 1.0891(10) 0.2880(9) 0.042(5) Uiso 0.256(3) 2 d .
O4W O 0.905(2) 1.0135(11) 0.2006(9) 0.131(8) Uiso 0.512(6) 2 d .
O5W O 0.7700(15) 0.9426(8) -0.0563(7) 0.188(10) Uiso 0.91(4) 2 d .
O6W O 0.948(2) 0.8851(13) -0.0109(11) 0.30(2) Uiso 0.93(6) 2 d .
N54 N 0.2986(5) 0.7137(3) 1.0755(3) 0.0372(15) Uani 1 2 d .
N55 N 0.3562(5) 0.6939(3) 0.9660(3) 0.0349(15) Uani 1 2 d .
N96 N 0.1827(6) 0.4277(3) 0.7318(3) 0.0401(16) Uani 1 2 d .
N97 N 0.2140(6) 0.5519(3) 0.7215(3) 0.0398(16) Uani 1 2 d .
C1 C 0.1800(7) 0.3216(4) 0.6374(3) 0.041(2) Uani 1 2 d .
C1A C 0.0530(12) 0.3210(8) 0.3262(7) 0.066(4) Uani 0.659(6) 2 d .
C1B C 0.4268(9) 0.4902(5) 0.2025(5) 0.066(3) Uani 1 2 d .
C1C C 0.2309(14) 0.7842(10) 0.3442(7) 0.083(7) Uiso 0.483(8) 2 d .
C1D C -0.3437(7) 0.6457(4) 1.0356(4) 0.049(2) Uani 1 2 d .
C1E C 0.995(2) 1.0531(9) 0.2496(8) 0.147(14) Uiso 0.488(6) 2 d .
C1F C 0.923(2) 0.8832(11) 0.3255(8) 0.176(17) Uiso 0.512(6) 2 d .
C1X C 0.2347(10) 0.4595(5) 0.5258(4) 0.072(3) Uani 1 2 d .
C2 C 0.0698(8) 0.3249(4) 0.6242(4) 0.049(2) Uani 1 2 d .
C2X C 0.3576(10) 0.4804(6) 0.5362(4) 0.075(3) Uani 1 2 d .
C3 C 0.0205(9) 0.3065(5) 0.5727(4) 0.057(2) Uani 1 2 d .
C3X C 0.5009(9) 0.4781(5) 0.6116(5) 0.070(3) Uani 1 2 d .
C4 C 0.0792(10) 0.2814(5) 0.5299(4) 0.067(3) Uani 1 2 d .
C4X C 0.5587(11) 0.5488(5) 0.6201(5) 0.077(3) Uani 1 2 d .
C5 C 0.1862(9) 0.2783(4) 0.5400(4) 0.049(2) Uani 1 2 d .
C6 C 0.2397(8) 0.2980(4) 0.5933(3) 0.041(2) Uani 1 2 d .
C7 C 0.3490(7) 0.2942(3) 0.6052(3) 0.039(2) Uani 1 2 d .
C8 C 0.4000(7) 0.3118(3) 0.6586(3) 0.0357(19) Uani 1 2 d .
C9 C 0.5103(7) 0.3097(4) 0.6711(4) 0.043(2) Uani 1 2 d .
C10 C 0.5570(8) 0.3267(4) 0.7234(4) 0.050(2) Uani 1 2 d .
C11 C 0.4953(8) 0.3464(4) 0.7669(4) 0.049(2) Uani 1 2 d .
C12 C 0.3920(8) 0.3509(4) 0.7566(3) 0.044(2) Uani 1 2 d .
C13 C 0.3372(7) 0.3337(4) 0.7020(3) 0.0393(19) Uani 1 2 d .
C14 C 0.2287(7) 0.3385(4) 0.6906(3) 0.0353(18) Uani 1 2 d .
C15 C 0.1716(7) 0.3662(4) 0.7350(3) 0.042(2) Uani 1 2 d .
C16 C 0.1113(7) 0.3330(4) 0.7806(3) 0.0388(19) Uani 1 2 d .
C17 C 0.0716(7) 0.3637(4) 0.8211(3) 0.0392(19) Uani 1 2 d .
C18 C 0.0854(6) 0.4293(4) 0.8199(3) 0.0349(18) Uani 1 2 d .
C19 C 0.1413(7) 0.4600(3) 0.7726(3) 0.0343(18) Uani 1 2 d .
C20 C 0.0454(7) 0.4661(4) 0.8620(3) 0.0371(19) Uani 1 2 d .
C21 C 0.0584(7) 0.5273(4) 0.8570(3) 0.0379(19) Uani 1 2 d .
C22 C 0.1576(7) 0.5251(4) 0.7668(3) 0.0374(19) Uani 1 2 d .
C23 C 0.1132(7) 0.5596(4) 0.8082(3) 0.0407(19) Uani 1 2 d .
C24 C 0.1300(7) 0.6238(4) 0.8007(3) 0.041(2) Uani 1 2 d .
C25 C 0.1889(8) 0.6505(4) 0.7563(3) 0.045(2) Uani 1 2 d .
C26 C 0.2293(8) 0.6136(4) 0.7156(3) 0.044(2) Uani 1 2 d .
C27 C 0.2384(8) 0.6291(4) 0.6124(3) 0.042(2) Uani 1 2 d .
C28 C 0.1265(8) 0.5936(4) 0.6047(3) 0.046(2) Uani 1 2 d .
C29 C 0.0735(8) 0.5818(4) 0.5531(4) 0.052(2) Uani 1 2 d .
C30 C 0.1348(9) 0.6071(4) 0.5037(4) 0.056(3) Uani 1 2 d .
C31 C 0.2421(8) 0.6431(4) 0.5093(3) 0.048(2) Uani 1 2 d .
C32 C 0.2988(8) 0.6559(4) 0.5627(3) 0.044(2) Uani 1 2 d .
C33 C 0.4097(8) 0.6921(4) 0.5690(3) 0.043(2) Uani 1 2 d .
C34 C 0.4656(8) 0.6994(4) 0.6211(3) 0.042(2) Uani 1 2 d .
C35 C 0.5812(8) 0.7320(4) 0.6276(4) 0.047(2) Uani 1 2 d .
C36 C 0.6360(8) 0.7377(4) 0.6780(4) 0.047(2) Uani 1 2 d .
C37 C 0.5776(8) 0.7116(4) 0.7277(4) 0.048(2) Uani 1 2 d .
C38 C 0.4666(8) 0.6808(4) 0.7237(3) 0.042(2) Uani 1 2 d .
C39 C 0.4045(7) 0.6727(3) 0.6708(3) 0.0347(19) Uani 1 2 d .
C40 C 0.2929(8) 0.6398(4) 0.6651(3) 0.0397(19) Uani 1 2 d .
C41 C 0.4689(8) 0.7260(4) 0.5202(3) 0.044(2) Uani 1 2 d .
C42 C 0.4657(9) 0.7867(4) 0.5137(4) 0.052(3) Uani 1 2 d .
C43 C 0.5213(9) 0.8215(4) 0.4704(4) 0.055(3) Uani 1 2 d .
C44 C 0.5829(8) 0.7956(4) 0.4328(4) 0.048(2) Uani 1 2 d .
C45 C 0.5888(8) 0.7335(4) 0.4381(3) 0.042(2) Uani 1 2 d .
C46 C 0.5305(8) 0.6989(4) 0.4825(3) 0.046(2) Uani 1 2 d .
C47 C 0.5760(11) 0.9176(4) 0.4231(4) 0.069(3) Uani 1 2 d .
C48 C 0.5557(10) 0.9823(4) 0.4264(4) 0.064(3) Uani 1 2 d .
C49 C 0.6128(11) 1.0182(4) 0.3771(4) 0.066(3) Uani 1 2 d .
C50 C 0.6088(10) 1.0868(4) 0.3795(4) 0.061(3) Uani 1 2 d .
C51 C 0.6632(14) 1.1176(5) 0.3265(5) 0.094(5) Uani 1 2 d .
C52 C 0.6507(12) 1.1863(4) 0.3257(5) 0.080(4) Uani 1 2 d .
C53 C 0.3959(8) 0.8229(4) 1.1712(4) 0.053(2) Uani 1 2 d .
C54 C 0.4866(9) 0.7963(5) 1.1733(6) 0.080(4) Uani 1 2 d .
C55 C 0.5857(12) 0.8286(6) 1.1980(8) 0.131(7) Uani 1 2 d .
C56 C 0.5996(14) 0.8922(6) 1.2172(9) 0.145(8) Uani 1 2 d .
C57 C 0.5171(10) 0.9199(5) 1.2150(6) 0.086(4) Uani 1 2 d .
C58 C 0.4113(9) 0.8870(4) 1.1934(5) 0.061(3) Uani 1 2 d .
C59 C 0.3205(8) 0.9137(4) 1.1930(4) 0.047(2) Uani 1 2 d .
C60 C 0.2155(8) 0.8808(4) 1.1716(4) 0.047(2) Uani 1 2 d .
C61 C 0.1222(10) 0.9064(5) 1.1709(5) 0.067(3) Uani 1 2 d .
C62 C 0.0225(11) 0.8745(5) 1.1507(6) 0.083(4) Uani 1 2 d .
C63 C 0.0051(10) 0.8111(5) 1.1272(5) 0.073(3) Uani 1 2 d .
C64 C 0.0941(7) 0.7857(4) 1.1261(4) 0.048(2) Uani 1 2 d .
C65 C 0.1998(8) 0.8185(4) 1.1486(4) 0.043(2) Uani 1 2 d .
C66 C 0.2915(7) 0.7906(4) 1.1499(3) 0.041(2) Uani 1 2 d .
C67 C 0.2718(7) 0.7230(4) 1.1284(3) 0.0379(19) Uani 1 2 d .
C68 C 0.2317(7) 0.6745(4) 1.1656(4) 0.043(2) Uani 1 2 d .
C69 C 0.2157(7) 0.6135(4) 1.1452(3) 0.0387(19) Uani 1 2 d .
C70 C 0.2385(6) 0.6017(3) 1.0875(3) 0.0335(17) Uani 1 2 d .
C71 C 0.2833(6) 0.6540(3) 1.0550(3) 0.0311(16) Uani 1 2 d .
C72 C 0.2189(7) 0.5397(3) 1.0627(4) 0.0373(18) Uani 1 2 d .
C73 C 0.2425(7) 0.5302(4) 1.0081(3) 0.0383(19) Uani 1 2 d .
C74 C 0.3104(6) 0.6423(3) 0.9973(3) 0.0335(17) Uani 1 2 d .
C75 C 0.2905(7) 0.5814(4) 0.9736(3) 0.0381(19) Uani 1 2 d .
C76 C 0.3205(7) 0.5747(4) 0.9176(3) 0.0351(18) Uani 1 2 d .
C77 C 0.3684(7) 0.6262(4) 0.8879(4) 0.043(2) Uani 1 2 d .
C78 C 0.3866(7) 0.6854(4) 0.9131(3) 0.0365(18) Uani 1 2 d .
C79 C 0.5573(7) 0.7569(4) 0.8722(3) 0.0400(19) Uani 1 2 d .
C80 C 0.6248(7) 0.7166(4) 0.8884(4) 0.047(2) Uani 1 2 d .
C81 C 0.7342(8) 0.7297(5) 0.8780(4) 0.058(3) Uani 1 2 d .
C82 C 0.7878(8) 0.7846(5) 0.8515(4) 0.061(3) Uani 1 2 d .
C83 C 0.7286(8) 0.8251(5) 0.8340(4) 0.057(3) Uani 1 2 d .
C84 C 0.6101(7) 0.8138(4) 0.8441(4) 0.046(2) Uani 1 2 d .
C85 C 0.5462(7) 0.8530(4) 0.8267(3) 0.0404(19) Uani 1 2 d .
C86 C 0.4325(7) 0.8401(4) 0.8373(4) 0.041(2) Uani 1 2 d .
C87 C 0.3664(8) 0.8799(4) 0.8221(4) 0.054(3) Uani 1 2 d .
C88 C 0.2557(9) 0.8657(4) 0.8321(4) 0.060(3) Uani 1 2 d .
C89 C 0.2012(8) 0.8104(4) 0.8584(4) 0.057(3) Uani 1 2 d .
C90 C 0.2621(7) 0.7712(4) 0.8752(4) 0.043(2) Uani 1 2 d .
C91 C 0.3788(7) 0.7839(4) 0.8655(3) 0.0370(18) Uani 1 2 d .
C92 C 0.4418(7) 0.7436(4) 0.8825(3) 0.0360(18) Uani 1 2 d .
C93 C 0.6022(8) 0.9081(4) 0.7935(4) 0.046(2) Uani 1 2 d .
C94 C 0.6316(8) 0.8996(4) 0.7378(4) 0.056(3) Uani 1 2 d .
C95 C 0.6769(9) 0.9502(4) 0.7040(4) 0.057(3) Uani 1 2 d .
C96 C 0.6918(9) 1.0107(4) 0.7270(4) 0.058(3) Uani 1 2 d .
C97 C 0.6630(8) 1.0202(4) 0.7824(4) 0.049(2) Uani 1 2 d .
C98 C 0.6187(8) 0.9695(4) 0.8157(4) 0.047(2) Uani 1 2 d .
C99 C 0.698(3) 0.8863(11) 0.6151(10) 0.102(11) Uiso 0.444(14) 2 d .
C100 C 0.734(3) 0.9041(17) 0.5559(12) 0.104(11) Uiso 0.444(14) 2 d .
C101 C 0.856(3) 0.9323(15) 0.5506(14) 0.091(9) Uiso 0.444(14) 2 d .
C102 C 0.920(3) 0.885(2) 0.549(2) 0.159(18) Uiso 0.444(14) 2 d .
C103 C 1.038(4) 0.917(2) 0.533(2) 0.17(2) Uiso 0.444(14) 2 d .
C104 C 1.130(5) 0.886(3) 0.524(3) 0.25(4) Uiso 0.444(14) 2 d .
C105 C 0.7489(15) 0.9827(7) 0.6141(6) 0.056(5) Uiso 0.556(14) 2 d .
C106 C 0.7397(16) 0.9509(8) 0.5559(7) 0.059(5) Uiso 0.556(14) 2 d .
C107 C 0.7988(16) 0.8989(8) 0.5514(9) 0.061(5) Uiso 0.556(14) 2 d .
C108 C 0.9216(14) 0.9205(9) 0.5610(9) 0.063(5) Uiso 0.556(14) 2 d .
C109 C 0.979(2) 0.8691(11) 0.5525(12) 0.101(8) Uiso 0.556(14) 2 d .
C110 C 1.105(2) 0.8867(18) 0.5615(18) 0.145(13) Uiso 0.556(14) 2 d .
H1A H 0.20823 0.41444 0.53068 0.0860 Uiso 1 2 d .
H1B H 0.21783 0.46867 0.48722 0.0860 Uiso 1 2 d .
H1C H 0.19725 0.48155 0.5526 0.0860 Uiso 1 2 d .
H1S H 0.62013 0.85959 0.61356 0.1225 Uiso 0.444(14) 2 calc R
H1T H 0.74604 0.86149 0.63019 0.1225 Uiso 0.444(14) 2 calc R
H1U H 0.02801 0.35971 0.32154 0.0796 Uiso 0.659(6) 2 calc R
H1V H 0.40574 0.52307 0.22659 0.0789 Uiso 1 2 calc R
H1W H 0.22864 0.74145 0.35657 0.1000 Uiso 0.483(8) 2 calc R
H1X H -0.2877 0.66866 1.00851 0.0583 Uiso 1 2 calc R
H1Y H 1.05669 1.03759 0.26527 0.1766 Uiso 0.488(6) 2 calc R
H1Z H 0.98701 0.86541 0.31652 0.2110 Uiso 0.512(6) 2 calc R
H2 H 0.02898 0.34053 0.65239 0.0583 Uiso 1 2 d .
H2A H 0.39591 0.45815 0.50926 0.0898 Uiso 1 2 d .
H2B H 0.38514 0.52574 0.5304 0.0898 Uiso 1 2 d .
H2S H 0.71189 0.86633 0.53048 0.1243 Uiso 0.444(14) 2 calc R
H2T H 0.69389 0.93411 0.54309 0.1243 Uiso 0.444(14) 2 calc R
H3 H -0.05261 0.31023 0.56524 0.0680 Uiso 1 2 d .
H3A H 0.54049 0.45969 0.58219 0.0844 Uiso 1 2 d .
H3B H 0.50547 0.45708 0.64711 0.0844 Uiso 1 2 d .
H3S H 0.8829 0.96205 0.58305 0.1090 Uiso 0.444(14) 2 calc R
H3T H 0.86973 0.95598 0.51579 0.1090 Uiso 0.444(14) 2 calc R
H4 H 0.04395 0.26686 0.49444 0.0803 Uiso 1 2 d .
H4A H 0.63713 0.55705 0.60907 0.0923 Uiso 1 2 calc R
H4B H 0.55505 0.56164 0.65994 0.0923 Uiso 1 2 calc R
H4C H 0.52059 0.57248 0.59688 0.0923 Uiso 1 2 calc R
H4S H 0.88675 0.85097 0.52039 0.1906 Uiso 0.444(14) 2 calc R
H4T H 0.91914 0.86615 0.58603 0.1906 Uiso 0.444(14) 2 calc R
H5 H 0.22551 0.26286 0.511 0.0594 Uiso 1 2 d .
H5S H 1.03217 0.93893 0.49835 0.2068 Uiso 0.444(14) 2 calc R
H5T H 1.06598 0.9501 0.56312 0.2068 Uiso 0.444(14) 2 calc R
H6S H 1.10697 0.85252 0.49433 0.3050 Uiso 0.444(14) 2 calc R
H6T H 1.14636 0.86794 0.55881 0.3050 Uiso 0.444(14) 2 calc R
H6U H 1.19756 0.91656 0.51177 0.3050 Uiso 0.444(14) 2 calc R
H7S H 0.82834 1.00268 0.62399 0.0671 Uiso 0.556(14) 2 calc R
H7T H 0.70813 1.0154 0.61484 0.0671 Uiso 0.556(14) 2 calc R
H8S H 0.77203 0.98249 0.52814 0.0703 Uiso 0.556(14) 2 calc R
H8T H 0.65969 0.93314 0.54592 0.0703 Uiso 0.556(14) 2 calc R
H9 H 0.55279 0.29603 0.64248 0.0517 Uiso 1 2 d .
H9S H 0.76643 0.86743 0.5792 0.0738 Uiso 0.556(14) 2 calc R
H9T H 0.78386 0.8782 0.51335 0.0738 Uiso 0.556(14) 2 calc R
H10 H 0.63164 0.32535 0.73064 0.0601 Uiso 1 2 d .
H10S H 0.93689 0.93848 0.6 0.0754 Uiso 0.556(14) 2 calc R
H10T H 0.95373 0.95393 0.53489 0.0754 Uiso 0.556(14) 2 calc R
H11 H 0.52736 0.35654 0.80364 0.0591 Uiso 1 2 d .
H11S H 0.96182 0.85111 0.51358 0.1212 Uiso 0.556(14) 2 calc R
H11T H 0.94507 0.83572 0.5785 0.1212 Uiso 0.556(14) 2 calc R
H12 H 0.35297 0.36586 0.78609 0.0531 Uiso 1 2 d .
H12S H 1.13558 0.93081 0.55351 0.1739 Uiso 0.556(14) 2 calc R
H12T H 1.13731 0.86081 0.536 0.1739 Uiso 0.556(14) 2 calc R
H12U H 1.12194 0.87997 0.6006 0.1739 Uiso 0.556(14) 2 calc R
H16 H 0.0998 0.28909 0.78187 0.0466 Uiso 1 2 d .
H17 H 0.0331 0.34148 0.85153 0.0470 Uiso 1 2 d .
H20 H 0.00893 0.44649 0.89411 0.0445 Uiso 1 2 d .
H21 H 0.03138 0.55022 0.88579 0.0455 Uiso 1 2 d .
H24 H 0.10004 0.64842 0.82679 0.0489 Uiso 1 2 d .
H25 H 0.20346 0.69419 0.7523 0.0542 Uiso 1 2 d .
H28 H 0.08585 0.57702 0.6369 0.0557 Uiso 1 2 d .
H29 H -0.00192 0.55747 0.54969 0.0627 Uiso 1 2 d .
H30 H 0.10007 0.59858 0.46743 0.0674 Uiso 1 2 d .
H31 H 0.28047 0.66012 0.47671 0.0573 Uiso 1 2 d .
H35 H 0.62093 0.75012 0.59572 0.0559 Uiso 1 2 d .
H36 H 0.71321 0.75899 0.68063 0.0559 Uiso 1 2 d .
H37 H 0.61616 0.71595 0.76291 0.0582 Uiso 1 2 d .
H38 H 0.42889 0.66403 0.7566 0.0506 Uiso 1 2 d .
H42 H 0.42433 0.80515 0.53958 0.0630 Uiso 1 2 d .
H44 H 0.62139 0.81966 0.40335 0.0571 Uiso 1 2 d .
H46 H 0.53335 0.65708 0.48678 0.0550 Uiso 1 2 d .
H47A H 0.55156 0.8968 0.38581 0.0826 Uiso 1 2 d .
H47B H 0.65671 0.92102 0.42827 0.0826 Uiso 1 2 d .
H48A H 0.47444 0.9786 0.42478 0.0767 Uiso 1 2 d .
H48B H 0.58635 1.00448 0.46236 0.0767 Uiso 1 2 d .
H49A H 0.57643 0.99751 0.34159 0.0789 Uiso 1 2 d .
H49B H 0.69187 1.01675 0.37653 0.0789 Uiso 1 2 d .
H50A H 0.53022 1.08907 0.38145 0.0734 Uiso 1 2 d .
H50B H 0.64935 1.10891 0.41355 0.0734 Uiso 1 2 d .
H51A H 0.62665 1.09324 0.29245 0.1134 Uiso 1 2 d .
H51B H 0.74334 1.11837 0.3262 0.1134 Uiso 1 2 d .
H52A H 0.68472 1.20973 0.36 0.0958 Uiso 1 2 d .
H52B H 0.5712 1.18509 0.32387 0.0958 Uiso 1 2 d .
H52C H 0.68828 1.20669 0.29257 0.0958 Uiso 1 2 d .
H54 H 0.47879 0.75542 1.15738 0.0963 Uiso 1 2 d .
H55 H 0.64469 0.80921 1.20234 0.1574 Uiso 1 2 d .
H56 H 0.6703 0.91541 1.23201 0.1740 Uiso 1 2 d .
H57 H 0.52976 0.96212 1.22817 0.1027 Uiso 1 2 d .
H61 H 0.13148 0.94802 1.18531 0.0801 Uiso 1 2 d .
H62 H -0.03798 0.8932 1.15172 0.0993 Uiso 1 2 d .
H63 H -0.06623 0.78798 1.11304 0.0876 Uiso 1 2 d .
H64 H 0.08453 0.74492 1.10978 0.0578 Uiso 1 2 d .
H68 H 0.21609 0.68346 1.20366 0.0512 Uiso 1 2 d .
H69 H 0.18993 0.57977 1.16938 0.0465 Uiso 1 2 d .
H72 H 0.18899 0.50489 1.08498 0.0447 Uiso 1 2 d .
H73 H 0.22687 0.48874 0.99237 0.0459 Uiso 1 2 d .
H76 H 0.30764 0.53427 0.89996 0.0421 Uiso 1 2 d .
H77 H 0.38924 0.62138 0.84981 0.0512 Uiso 1 2 d .
H80 H 0.59045 0.67946 0.90699 0.0563 Uiso 1 2 d .
H81 H 0.77588 0.70166 0.88864 0.0694 Uiso 1 2 d .
H82 H 0.86606 0.79401 0.84542 0.0735 Uiso 1 2 d .
H83 H 0.76646 0.86117 0.81494 0.0682 Uiso 1 2 d .
H87 H 0.40072 0.91763 0.80441 0.0652 Uiso 1 2 d .
H88 H 0.21374 0.89348 0.82131 0.0721 Uiso 1 2 d .
H89 H 0.1229 0.80046 0.86431 0.0688 Uiso 1 2 d .
H90 H 0.22554 0.7345 0.8938 0.0516 Uiso 1 2 d .
H94 H 0.62078 0.85836 0.72221 0.0666 Uiso 1 2 d .
H96 H 0.72179 1.04551 0.70464 0.0698 Uiso 1 2 d .
H98 H 0.59962 0.97649 0.85373 0.0568 Uiso 1 2 d .
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 for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
O O 0.0106 0.0060
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
N N 0.0061 0.0033
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
F F 0.0171 0.0103
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Sb Sb -0.5866 1.5461
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Ag Ag -0.8971 1.1015
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Cl Cl 0.1484 0.1585
;
International Tables for Crystallography
(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_publ_flag
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
F1 Sb1 F2 90.9(2) yes . .
F1 Sb1 F3 90.8(2) yes . .
F1 Sb1 F4 90.0(2) yes . .
F1 Sb1 F5 89.2(2) yes . .
F1 Sb1 F6 179.6(2) yes . .
F2 Sb1 F3 90.4(2) yes . .
F2 Sb1 F4 178.5(2) yes . .
F2 Sb1 F5 87.9(2) yes . .
F2 Sb1 F6 89.0(2) yes . .
F3 Sb1 F4 90.8(2) yes . .
F3 Sb1 F5 178.3(2) yes . .
F3 Sb1 F6 89.5(2) yes . .
F4 Sb1 F5 90.8(3) yes . .
F4 Sb1 F6 90.1(2) yes . .
F5 Sb1 F6 90.4(2) yes . .
F7 Sb2 F8 89.7(2) yes . .
F7 Sb2 F9 88.5(3) yes . .
F7 Sb2 F10 178.0(3) yes . .
F7 Sb2 F11 89.9(3) yes . .
F7 Sb2 F12 91.2(3) yes . .
F8 Sb2 F9 89.6(3) yes . .
F8 Sb2 F10 88.3(2) yes . .
F8 Sb2 F11 89.9(3) yes . .
F8 Sb2 F12 178.6(3) yes . .
F9 Sb2 F10 91.4(3) yes . .
F9 Sb2 F11 178.3(3) yes . .
F9 Sb2 F12 89.5(3) yes . .
F10 Sb2 F11 90.2(3) yes . .
F10 Sb2 F12 90.8(3) yes . .
F11 Sb2 F12 91.1(3) yes . .
O1X Ag1 N96 130.4(3) yes . .
O1X Ag1 N97 152.3(2) yes . .
N96 Ag1 N97 72.6(2) yes . .
O1Y Ag2 N54 140.8(5) yes . .
O1Y Ag2 N55 144.0(5) yes . .
N54 Ag2 N55 73.9(2) yes . .
Ag1 O1X C2X 115.8(7) yes . .
Ag1 O1X C3X 116.6(6) yes . .
C2X O1X C3X 118.1(8) yes . .
C43 O1 C47 115.7(8) yes . .
C95 O2 C99 139.2(12) yes . .
C95 O2 C105 124.9(9) yes . .
Ag2 N54 C67 126.7(5) yes . .
Ag2 N54 C71 114.7(5) yes . .
C67 N54 C71 118.5(6) yes . .
Ag2 N55 C74 114.2(5) yes . .
Ag2 N55 C78 126.4(5) yes . .
C74 N55 C78 119.3(6) yes . .
Ag1 N96 C15 124.3(5) yes . .
Ag1 N96 C19 114.6(5) yes . .
C15 N96 C19 121.1(7) yes . .
Ag1 N97 C22 116.3(5) yes . .
Ag1 N97 C26 124.9(5) yes . .
C22 N97 C26 118.8(7) yes . .
C2 C1 C6 117.1(7) yes . .
C2 C1 C14 122.4(8) yes . .
C6 C1 C14 120.5(8) yes . .
Cl1A C1A Cl2A 111.4(9) yes . .
Cl1A C1A Cl3A 112.9(9) yes . .
Cl2A C1A Cl3A 111.2(10) yes . .
Cl1B C1B Cl2B 113.5(6) yes . .
Cl1B C1B Cl3B 108.8(6) yes . .
Cl2B C1B Cl3B 108.7(6) yes . .
Cl1C C1C Cl2C 108.7(10) yes . .
Cl1C C1C Cl3C 109.6(11) yes . .
Cl2C C1C Cl3C 113.9(13) yes . .
Cl1D C1D Cl2D 111.3(5) yes . .
Cl1D C1D Cl3D 111.4(5) yes . .
Cl2D C1D Cl3D 109.4(5) yes . .
Cl1E C1E Cl2E 107.6(12) yes . .
Cl1E C1E Cl3E 114.7(13) yes . .
Cl2E C1E Cl3E 99.4(13) yes . .
Cl1F C1F Cl2F 111.5(14) yes . .
Cl1F C1F Cl3F 106.2(12) yes . .
Cl2F C1F Cl3F 103.3(14) yes . .
C1 C2 C3 122.5(9) yes . .
O1X C2X C1X 109.4(8) yes . .
C2 C3 C4 119.8(10) yes . .
O1X C3X C4X 111.1(10) yes . .
C3 C4 C5 119.9(9) yes . .
C4 C5 C6 121.1(9) yes . .
C1 C6 C5 119.4(9) yes . .
C1 C6 C7 118.3(7) yes . .
C5 C6 C7 122.3(8) yes . .
C6 C7 C8 122.0(8) yes . .
C6 C7 C45 120.0(7) yes . 2_666
C8 C7 C45 117.9(8) yes . 2_666
C7 C8 C9 122.9(8) yes . .
C7 C8 C13 118.3(8) yes . .
C9 C8 C13 118.7(7) yes . .
C8 C9 C10 121.4(8) yes . .
C9 C10 C11 120.5(9) yes . .
C10 C11 C12 120.2(8) yes . .
C11 C12 C13 122.2(8) yes . .
C8 C13 C12 116.9(8) yes . .
C8 C13 C14 120.4(7) yes . .
C12 C13 C14 122.7(8) yes . .
C1 C14 C13 120.5(8) yes . .
C1 C14 C15 121.1(8) yes . .
C13 C14 C15 118.3(7) yes . .
N96 C15 C14 115.1(7) yes . .
N96 C15 C16 120.0(8) yes . .
C14 C15 C16 124.9(7) yes . .
C15 C16 C17 119.8(8) yes . .
C16 C17 C18 121.5(7) yes . .
C17 C18 C19 116.9(7) yes . .
C17 C18 C20 125.0(7) yes . .
C19 C18 C20 118.1(7) yes . .
N96 C19 C18 120.7(7) yes . .
N96 C19 C22 117.9(6) yes . .
C18 C19 C22 121.4(7) yes . .
C18 C20 C21 121.6(7) yes . .
C20 C21 C23 121.4(8) yes . .
N97 C22 C19 118.6(7) yes . .
N97 C22 C23 122.4(7) yes . .
C19 C22 C23 119.0(7) yes . .
C21 C23 C22 118.5(7) yes . .
C21 C23 C24 124.1(8) yes . .
C22 C23 C24 117.4(7) yes . .
C23 C24 C25 119.8(8) yes . .
C24 C25 C26 120.5(8) yes . .
N97 C26 C25 121.1(7) yes . .
N97 C26 C40 115.7(8) yes . .
C25 C26 C40 123.2(7) yes . .
C28 C27 C32 117.8(7) yes . .
C28 C27 C40 122.9(7) yes . .
C32 C27 C40 119.3(7) yes . .
C27 C28 C29 123.2(8) yes . .
C28 C29 C30 118.8(8) yes . .
C29 C30 C31 120.0(8) yes . .
C30 C31 C32 122.2(8) yes . .
C27 C32 C31 118.0(7) yes . .
C27 C32 C33 119.1(7) yes . .
C31 C32 C33 122.8(7) yes . .
C32 C33 C34 121.2(7) yes . .
C32 C33 C41 120.0(7) yes . .
C34 C33 C41 118.7(7) yes . .
C33 C34 C35 122.2(7) yes . .
C33 C34 C39 119.2(7) yes . .
C35 C34 C39 118.6(7) yes . .
C34 C35 C36 122.0(8) yes . .
C35 C36 C37 120.5(8) yes . .
C36 C37 C38 119.6(8) yes . .
C37 C38 C39 122.1(7) yes . .
C34 C39 C38 117.2(7) yes . .
C34 C39 C40 119.4(7) yes . .
C38 C39 C40 123.3(7) yes . .
C26 C40 C27 118.7(7) yes . .
C26 C40 C39 119.9(7) yes . .
C27 C40 C39 121.4(7) yes . .
C33 C41 C42 118.5(8) yes . .
C33 C41 C46 122.2(8) yes . .
C42 C41 C46 119.3(8) yes . .
C41 C42 C43 121.6(9) yes . .
O1 C43 C42 117.1(9) yes . .
O1 C43 C44 122.9(8) yes . .
C42 C43 C44 120.0(9) yes . .
C43 C44 C45 120.3(8) yes . .
C7 C45 C44 118.8(7) yes 2_666 .
C7 C45 C46 122.6(8) yes 2_666 .
C44 C45 C46 118.5(8) yes . .
C41 C46 C45 120.4(8) yes . .
O1 C47 C48 108.1(9) yes . .
C47 C48 C49 108.4(9) yes . .
C48 C49 C50 113.0(9) yes . .
C49 C50 C51 108.6(9) yes . .
C50 C51 C52 109.3(10) yes . .
C54 C53 C58 118.8(8) yes . .
C54 C53 C66 122.8(8) yes . .
C58 C53 C66 118.4(9) yes . .
C53 C54 C55 120.6(11) yes . .
C54 C55 C56 119.0(14) yes . .
C55 C56 C57 122.4(14) yes . .
C56 C57 C58 120.4(11) yes . .
C53 C58 C57 118.5(10) yes . .
C53 C58 C59 119.5(8) yes . .
C57 C58 C59 122.0(9) yes . .
C58 C59 C60 121.9(8) yes . .
C58 C59 C97 118.9(8) yes . 2_677
C60 C59 C97 119.3(9) yes . 2_677
C59 C60 C61 123.1(8) yes . .
C59 C60 C65 119.3(9) yes . .
C61 C60 C65 117.6(8) yes . .
C60 C61 C62 122.5(10) yes . .
C61 C62 C63 120.6(12) yes . .
C62 C63 C64 118.2(10) yes . .
C63 C64 C65 121.8(8) yes . .
C60 C65 C64 119.2(9) yes . .
C60 C65 C66 119.1(7) yes . .
C64 C65 C66 121.7(7) yes . .
C53 C66 C65 121.9(8) yes . .
C53 C66 C67 119.6(8) yes . .
C65 C66 C67 118.6(7) yes . .
N54 C67 C66 116.8(6) yes . .
N54 C67 C68 123.6(7) yes . .
C66 C67 C68 119.5(7) yes . .
C67 C68 C69 118.5(7) yes . .
C68 C69 C70 119.2(7) yes . .
C69 C70 C71 117.3(7) yes . .
C69 C70 C72 122.5(7) yes . .
C71 C70 C72 120.2(7) yes . .
N54 C71 C70 122.7(7) yes . .
N54 C71 C74 119.8(6) yes . .
C70 C71 C74 117.5(7) yes . .
C70 C72 C73 121.0(7) yes . .
C72 C73 C75 121.1(7) yes . .
N55 C74 C71 117.1(6) yes . .
N55 C74 C75 121.3(7) yes . .
C71 C74 C75 121.6(7) yes . .
C73 C75 C74 118.5(7) yes . .
C73 C75 C76 124.0(7) yes . .
C74 C75 C76 117.5(7) yes . .
C75 C76 C77 120.3(7) yes . .
C76 C77 C78 120.2(8) yes . .
N55 C78 C77 121.4(7) yes . .
N55 C78 C92 116.5(7) yes . .
C77 C78 C92 122.2(7) yes . .
C80 C79 C84 118.8(8) yes . .
C80 C79 C92 122.8(7) yes . .
C84 C79 C92 118.4(8) yes . .
C79 C80 C81 122.1(8) yes . .
C80 C81 C82 120.4(11) yes . .
C81 C82 C83 120.9(9) yes . .
C82 C83 C84 121.5(8) yes . .
C79 C84 C83 116.2(9) yes . .
C79 C84 C85 120.1(8) yes . .
C83 C84 C85 123.6(8) yes . .
C84 C85 C86 121.4(7) yes . .
C84 C85 C93 118.2(8) yes . .
C86 C85 C93 120.3(8) yes . .
C85 C86 C87 122.8(7) yes . .
C85 C86 C91 119.2(8) yes . .
C87 C86 C91 118.0(8) yes . .
C86 C87 C88 121.6(8) yes . .
C87 C88 C89 121.2(10) yes . .
C88 C89 C90 119.3(9) yes . .
C89 C90 C91 121.7(8) yes . .
C86 C91 C90 118.1(8) yes . .
C86 C91 C92 120.0(7) yes . .
C90 C91 C92 121.9(7) yes . .
C78 C92 C79 118.8(8) yes . .
C78 C92 C91 120.3(7) yes . .
C79 C92 C91 120.9(7) yes . .
C85 C93 C94 120.1(7) yes . .
C85 C93 C98 121.6(8) yes . .
C94 C93 C98 118.2(8) yes . .
C93 C94 C95 121.9(8) yes . .
O2 C95 C94 118.1(8) yes . .
O2 C95 C96 123.2(8) yes . .
C94 C95 C96 118.8(8) yes . .
C95 C96 C97 120.2(8) yes . .
C59 C97 C96 119.7(7) yes 2_677 .
C59 C97 C98 119.9(8) yes 2_677 .
C96 C97 C98 120.5(8) yes . .
C93 C98 C97 120.5(8) yes . .
O2 C99 C100 113(2) yes . .
C99 C100 C101 114(3) yes . .
C100 C101 C102 112(3) yes . .
C101 C102 C103 107(4) yes . .
C102 C103 C104 125(5) yes . .
O2 C105 C106 108.3(11) yes . .
C105 C106 C107 113.5(15) yes . .
C106 C107 C108 114.2(14) yes . .
C107 C108 C109 113.0(16) yes . .
C108 C109 C110 117(2) yes . .
Cl1A C1A H1U 106.979 no . .
Cl2A C1A H1U 106.963 no . .
Cl3A C1A H1U 106.974 no . .
Cl1B C1B H1V 108.559 no . .
Cl2B C1B H1V 108.555 no . .
Cl3B C1B H1V 108.555 no . .
Cl1C C1C H1W 108.168 no . .
Cl2C C1C H1W 108.173 no . .
Cl3C C1C H1W 108.170 no . .
Cl1D C1D H1X 108.203 no . .
Cl2D C1D H1X 108.209 no . .
Cl3D C1D H1X 108.205 no . .
Cl1E C1E H1Y 111.489 no . .
Cl2E C1E H1Y 111.472 no . .
Cl3E C1E H1Y 111.476 no . .
Cl1F C1F H1Z 111.820 no . .
Cl2F C1F H1Z 111.817 no . .
Cl3F C1F H1Z 111.804 no . .
C2X C1X H1A 109.5(12) no . .
C2X C1X H1B 109.5(10) no . .
C2X C1X H1C 109.5(9) no . .
H1A C1X H1B 109.5(10) no . .
H1A C1X H1C 109.5(10) no . .
H1B C1X H1C 109.5(13) no . .
C1 C2 H2 118.7(8) no . .
C3 C2 H2 118.7(10) no . .
O1X C2X H2A 109.8(12) no . .
O1X C2X H2B 109.8(9) no . .
C1X C2X H2A 109.8(9) no . .
C1X C2X H2B 109.8(12) no . .
H2A C2X H2B 108.2(10) no . .
C2 C3 H3 120.1(10) no . .
C4 C3 H3 120.1(9) no . .
O1X C3X H3A 109.4(9) no . .
O1X C3X H3B 109.4(9) no . .
C4X C3X H3A 109.4(9) no . .
C4X C3X H3B 109.4(9) no . .
H3A C3X H3B 108.0(12) no . .
C3 C4 H4 120.0(12) no . .
C5 C4 H4 120.0(11) no . .
C3X C4X H4A 109.474 no . .
C3X C4X H4B 109.474 no . .
C3X C4X H4C 109.473 no . .
H4A C4X H4B 109.459 no . .
H4A C4X H4C 109.475 no . .
H4B C4X H4C 109.473 no . .
C4 C5 H5 119.4(9) no . .
C6 C5 H5 119.4(10) no . .
C8 C9 H9 119.3(8) no . .
C10 C9 H9 119.3(9) no . .
C9 C10 H10 119.8(10) no . .
C11 C10 H10 119.8(9) no . .
C10 C11 H11 119.9(10) no . .
C12 C11 H11 119.9(10) no . .
C11 C12 H12 118.9(8) no . .
C13 C12 H12 118.9(9) no . .
C15 C16 H16 120.1(8) no . .
C17 C16 H16 120.1(8) no . .
C16 C17 H17 119.2(8) no . .
C18 C17 H17 119.2(8) no . .
C18 C20 H20 119.2(8) no . .
C21 C20 H20 119.2(8) no . .
C20 C21 H21 119.3(7) no . .
C23 C21 H21 119.3(8) no . .
C23 C24 H24 120.1(7) no . .
C25 C24 H24 120.1(8) no . .
C24 C25 H25 119.8(9) no . .
C26 C25 H25 119.8(8) no . .
C27 C28 H28 118.4(8) no . .
C29 C28 H28 118.4(9) no . .
C28 C29 H29 120.6(9) no . .
C30 C29 H29 120.6(9) no . .
C29 C30 H30 120.0(9) no . .
C31 C30 H30 120.0(9) no . .
C30 C31 H31 118.9(8) no . .
C32 C31 H31 118.9(8) no . .
C34 C35 H35 119.0(8) no . .
C36 C35 H35 119.0(8) no . .
C35 C36 H36 119.8(8) no . .
C37 C36 H36 119.8(8) no . .
C36 C37 H37 120.2(9) no . .
C38 C37 H37 120.2(8) no . .
C37 C38 H38 118.9(8) no . .
C39 C38 H38 118.9(8) no . .
C41 C42 H42 119.2(8) no . .
C43 C42 H42 119.2(9) no . .
C43 C44 H44 119.9(9) no . .
C45 C44 H44 119.9(9) no . .
C41 C46 H46 119.8(8) no . .
C45 C46 H46 119.8(9) no . .
O1 C47 H47A 110.1(8) no . .
O1 C47 H47B 110.1(9) no . .
C48 C47 H47A 110.1(10) no . .
C48 C47 H47B 110.1(8) no . .
H47A C47 H47B 108.4(11) no . .
C47 C48 H48A 110.0(8) no . .
C47 C48 H48B 110.0(10) no . .
C49 C48 H48A 110.0(10) no . .
C49 C48 H48B 110.0(8) no . .
H48A C48 H48B 108.4(10) no . .
C48 C49 H49A 109.0(8) no . .
C48 C49 H49B 109.0(10) no . .
C50 C49 H49A 109.0(9) no . .
C50 C49 H49B 109.0(8) no . .
H49A C49 H49B 107.8(10) no . .
C49 C50 H50A 110.0(8) no . .
C49 C50 H50B 110.0(9) no . .
C51 C50 H50A 110.0(10) no . .
C51 C50 H50B 110.0(9) no . .
H50A C50 H50B 108.3(10) no . .
C50 C51 H51A 109.8(10) no . .
C50 C51 H51B 109.8(11) no . .
C52 C51 H51A 109.8(12) no . .
C52 C51 H51B 109.8(10) no . .
H51A C51 H51B 108.3(13) no . .
C51 C52 H52A 109.5(11) no . .
C51 C52 H52B 109.5(9) no . .
C51 C52 H52C 109.5(11) no . .
H52A C52 H52B 109.5(12) no . .
H52A C52 H52C 109.5(10) no . .
H52B C52 H52C 109.5(12) no . .
C53 C54 H54 119.7(10) no . .
C55 C54 H54 119.7(13) no . .
C54 C55 H55 120.5(14) no . .
C56 C55 H55 120.5(14) no . .
C55 C56 H56 118.8(17) no . .
C57 C56 H56 118.8(14) no . .
C56 C57 H57 119.8(12) no . .
C58 C57 H57 119.8(12) no . .
C60 C61 H61 118.8(10) no . .
C62 C61 H61 118.8(13) no . .
C61 C62 H62 119.7(11) no . .
C63 C62 H62 119.7(11) no . .
C62 C63 H63 120.9(13) no . .
C64 C63 H63 120.9(11) no . .
C63 C64 H64 119.1(8) no . .
C65 C64 H64 119.1(9) no . .
C67 C68 H68 120.8(8) no . .
C69 C68 H68 120.8(8) no . .
C68 C69 H69 120.4(8) no . .
C70 C69 H69 120.4(7) no . .
C70 C72 H72 119.5(8) no . .
C73 C72 H72 119.5(7) no . .
C72 C73 H73 119.4(7) no . .
C75 C73 H73 119.4(7) no . .
C75 C76 H76 119.9(7) no . .
C77 C76 H76 119.8(7) no . .
C76 C77 H77 119.9(8) no . .
C78 C77 H77 119.9(7) no . .
C79 C80 H80 119.0(8) no . .
C81 C80 H80 118.9(10) no . .
C80 C81 H81 119.8(10) no . .
C82 C81 H81 119.8(10) no . .
C81 C82 H82 119.5(11) no . .
C83 C82 H82 119.5(10) no . .
C82 C83 H83 119.2(10) no . .
C84 C83 H83 119.3(10) no . .
C86 C87 H87 119.2(10) no . .
C88 C87 H87 119.2(11) no . .
C87 C88 H88 119.4(9) no . .
C89 C88 H88 119.4(10) no . .
C88 C89 H89 120.4(11) no . .
C90 C89 H89 120.3(9) no . .
C89 C90 H90 119.2(9) no . .
C91 C90 H90 119.2(9) no . .
C93 C94 H94 119.1(8) no . .
C95 C94 H94 119.1(9) no . .
C95 C96 H96 119.9(9) no . .
C97 C96 H96 119.9(9) no . .
C93 C98 H98 119.8(8) no . .
C97 C98 H98 119.8(8) no . .
O2 C99 H1S 108.914 no . .
O2 C99 H1T 108.916 no . .
C100 C99 H1S 108.899 no . .
C100 C99 H1T 108.900 no . .
H1S C99 H1T 107.730 no . .
C99 C100 H2S 108.723 no . .
C99 C100 H2T 108.710 no . .
C101 C100 H2S 108.724 no . .
C101 C100 H2T 108.724 no . .
H2S C100 H2T 107.633 no . .
C100 C101 H3S 109.150 no . .
C100 C101 H3T 109.145 no . .
C102 C101 H3S 109.135 no . .
C102 C101 H3T 109.144 no . .
H3S C101 H3T 107.874 no . .
C101 C102 H4S 110.238 no . .
C101 C102 H4T 110.254 no . .
C103 C102 H4S 110.249 no . .
C103 C102 H4T 110.255 no . .
H4S C102 H4T 108.521 no . .
C102 C103 H5S 105.996 no . .
C102 C103 H5T 105.983 no . .
C104 C103 H5S 105.992 no . .
C104 C103 H5T 105.977 no . .
H5S C103 H5T 106.271 no . .
C103 C104 H6S 109.464 no . .
C103 C104 H6T 109.476 no . .
C103 C104 H6U 109.470 no . .
H6S C104 H6T 109.476 no . .
H6S C104 H6U 109.467 no . .
H6T C104 H6U 109.476 no . .
O2 C105 H7S 110.035 no . .
O2 C105 H7T 110.039 no . .
C106 C105 H7S 110.054 no . .
C106 C105 H7T 110.057 no . .
H7S C105 H7T 108.403 no . .
C105 C106 H8S 108.877 no . .
C105 C106 H8T 108.890 no . .
C107 C106 H8S 108.878 no . .
C107 C106 H8T 108.873 no . .
H8S C106 H8T 107.710 no . .
C106 C107 H9S 108.707 no . .
C106 C107 H9T 108.708 no . .
C108 C107 H9S 108.720 no . .
C108 C107 H9T 108.703 no . .
H9S C107 H9T 107.622 no . .
C107 C108 H10S 108.968 no . .
C107 C108 H10T 108.987 no . .
C109 C108 H10S 108.983 no . .
C109 C108 H10T 108.984 no . .
H10S C108 H10T 107.766 no . .
C108 C109 H11S 108.104 no . .
C108 C109 H11T 108.101 no . .
C110 C109 H11S 108.112 no . .
C110 C109 H11T 108.098 no . .
H11S C109 H11T 107.313 no . .
C109 C110 H12S 109.466 no . .
C109 C110 H12T 109.463 no . .
C109 C110 H12U 109.479 no . .
H12S C110 H12T 109.469 no . .
H12S C110 H12U 109.487 no . .
H12T C110 H12U 109.462 no . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
_geom_bond_site_symmetry_2
Sb1 F1 1.867(5) yes .
Sb1 F2 1.868(6) yes .
Sb1 F3 1.881(5) yes .
Sb1 F4 1.859(6) yes .
Sb1 F5 1.884(5) yes .
Sb1 F6 1.873(4) yes .
Sb2 F7 1.872(5) yes .
Sb2 F8 1.877(6) yes .
Sb2 F9 1.875(6) yes .
Sb2 F10 1.868(5) yes .
Sb2 F11 1.861(7) yes .
Sb2 F12 1.861(7) yes .
Ag1 O1X 2.190(7) yes .
Ag1 N96 2.311(6) yes .
Ag1 N97 2.261(7) yes .
Ag2 O1Y 2.202(8) yes .
Ag2 N54 2.272(6) yes .
Ag2 N55 2.299(6) yes .
Cl1A C1A 1.755(18) yes .
Cl1B C1B 1.752(11) yes .
Cl1C C1C 1.690(19) yes .
Cl1D C1D 1.712(8) yes .
Cl1E C1E 1.69(2) yes .
Cl1F C1F 1.71(2) yes .
Cl2A C1A 1.764(17) yes .
Cl2B C1B 1.743(10) yes .
Cl2C C1C 1.77(2) yes .
Cl2D C1D 1.775(10) yes .
Cl2E C1E 1.75(2) yes .
Cl2F C1F 1.81(3) yes .
Cl3A C1A 1.700(15) yes .
Cl3B C1B 1.773(12) yes .
Cl3C C1C 1.72(2) yes .
Cl3D C1D 1.755(10) yes .
Cl3E C1E 1.75(2) yes .
Cl3F C1F 1.74(2) yes .
O1X C2X 1.476(13) yes .
O1X C3X 1.474(14) yes .
O1 C43 1.372(12) yes .
O1 C47 1.453(11) yes .
O2 C95 1.309(12) yes .
O2 C99 1.41(3) yes .
O2 C105 1.378(16) yes .
N54 C67 1.322(10) yes .
N54 C71 1.361(10) yes .
N55 C74 1.386(9) yes .
N55 C78 1.334(10) yes .
N96 C15 1.342(10) yes .
N96 C19 1.364(10) yes .
N97 C22 1.357(10) yes .
N97 C26 1.348(11) yes .
C1 C2 1.424(14) yes .
C1 C6 1.444(12) yes .
C1 C14 1.391(11) yes .
C1X C2X 1.487(16) yes .
C2 C3 1.362(13) yes .
C3 C4 1.432(16) yes .
C3X C4X 1.551(15) yes .
C4 C5 1.368(17) yes .
C5 C6 1.423(11) yes .
C6 C7 1.409(13) yes .
C7 C8 1.406(11) yes .
C7 C45 1.496(12) yes 2_666
C8 C9 1.413(13) yes .
C8 C13 1.439(12) yes .
C9 C10 1.364(12) yes .
C10 C11 1.411(14) yes .
C11 C12 1.334(14) yes .
C12 C13 1.451(11) yes .
C13 C14 1.405(13) yes .
C14 C15 1.477(12) yes .
C15 C16 1.434(11) yes .
C16 C17 1.326(12) yes .
C17 C18 1.425(11) yes .
C18 C19 1.422(10) yes .
C18 C20 1.437(11) yes .
C19 C22 1.420(11) yes .
C20 C21 1.338(11) yes .
C21 C23 1.462(11) yes .
C22 C23 1.423(12) yes .
C23 C24 1.407(12) yes .
C24 C25 1.350(11) yes .
C25 C26 1.418(13) yes .
C26 C40 1.491(11) yes .
C27 C28 1.410(12) yes .
C27 C32 1.461(11) yes .
C27 C40 1.402(11) yes .
C28 C29 1.370(12) yes .
C29 C30 1.450(13) yes .
C30 C31 1.362(13) yes .
C31 C32 1.427(11) yes .
C32 C33 1.401(12) yes .
C33 C34 1.397(12) yes .
C33 C41 1.496(11) yes .
C34 C35 1.429(12) yes .
C34 C39 1.465(11) yes .
C35 C36 1.357(12) yes .
C36 C37 1.447(12) yes .
C37 C38 1.367(13) yes .
C38 C39 1.449(11) yes .
C39 C40 1.387(11) yes .
C41 C42 1.376(13) yes .
C41 C46 1.396(13) yes .
C42 C43 1.387(12) yes .
C43 C44 1.379(14) yes .
C44 C45 1.413(12) yes .
C45 C46 1.417(11) yes .
C47 C48 1.524(15) yes .
C48 C49 1.514(13) yes .
C49 C50 1.540(14) yes .
C50 C51 1.531(15) yes .
C51 C52 1.577(16) yes .
C53 C54 1.405(16) yes .
C53 C58 1.463(13) yes .
C53 C66 1.386(12) yes .
C54 C55 1.365(18) yes .
C55 C56 1.43(2) yes .
C56 C57 1.33(2) yes .
C57 C58 1.406(15) yes .
C58 C59 1.407(16) yes .
C59 C60 1.396(12) yes .
C59 C97 1.521(12) yes 2_677
C60 C61 1.419(17) yes .
C60 C65 1.432(12) yes .
C61 C62 1.328(16) yes .
C62 C63 1.456(16) yes .
C63 C64 1.367(16) yes .
C64 C65 1.411(12) yes .
C65 C66 1.435(14) yes .
C66 C67 1.522(11) yes .
C67 C68 1.410(11) yes .
C68 C69 1.385(11) yes .
C69 C70 1.428(11) yes .
C70 C71 1.410(10) yes .
C70 C72 1.436(10) yes .
C71 C74 1.440(11) yes .
C72 C73 1.349(11) yes .
C73 C75 1.430(11) yes .
C74 C75 1.404(11) yes .
C75 C76 1.394(11) yes .
C76 C77 1.368(11) yes .
C77 C78 1.384(11) yes .
C78 C92 1.509(10) yes .
C79 C80 1.443(14) yes .
C79 C84 1.452(11) yes .
C79 C92 1.408(12) yes .
C80 C81 1.337(13) yes .
C81 C82 1.402(14) yes .
C82 C83 1.379(16) yes .
C83 C84 1.447(13) yes .
C84 C85 1.400(14) yes .
C85 C86 1.389(12) yes .
C85 C93 1.494(11) yes .
C86 C87 1.414(15) yes .
C86 C91 1.443(11) yes .
C87 C88 1.350(14) yes .
C88 C89 1.407(13) yes .
C89 C90 1.367(15) yes .
C90 C91 1.421(12) yes .
C91 C92 1.408(13) yes .
C93 C94 1.393(13) yes .
C93 C98 1.404(12) yes .
C94 C95 1.403(12) yes .
C95 C96 1.396(13) yes .
C96 C97 1.387(13) yes .
C97 C98 1.396(11) yes .
C99 C100 1.51(4) yes .
C100 C101 1.48(4) yes .
C101 C102 1.48(6) yes .
C102 C103 1.50(6) yes .
C103 C104 1.50(9) yes .
C105 C106 1.52(2) yes .
C106 C107 1.52(3) yes .
C107 C108 1.49(3) yes .
C108 C109 1.50(3) yes .
C109 C110 1.52(4) yes .
C1A H1U 1.000 no .
C1B H1V 1.000 no .
C1C H1W 1.000 no .
C1D H1X 1.000 no .
C1E H1Y 1.000 no .
C1F H1Z 1.000 no .
C1X H1A 0.980(11) no .
C1X H1B 0.980(11) no .
C1X H1C 0.980(12) no .
C2 H2 0.950(10) no .
C2X H2A 0.990(13) no .
C2X H2B 0.990(13) no .
C3 H3 0.950(11) no .
C3X H3A 0.990(12) no .
C3X H3B 0.990(12) no .
C4 H4 0.950(10) no .
C4X H4A 0.980 no .
C4X H4B 0.980 no .
C4X H4C 0.980 no .
C5 H5 0.950(10) no .
C9 H9 0.950(9) no .
C10 H10 0.950(10) no .
C11 H11 0.950(9) no .
C12 H12 0.950(9) no .
C16 H16 0.950(8) no .
C17 H17 0.950(8) no .
C20 H20 0.950(7) no .
C21 H21 0.950(8) no .
C24 H24 0.950(9) no .
C25 H25 0.950(8) no .
C28 H28 0.950(8) no .
C29 H29 0.950(9) no .
C30 H30 0.950(9) no .
C31 H31 0.950(8) no .
C35 H35 0.950(9) no .
C36 H36 0.950(9) no .
C37 H37 0.950(9) no .
C38 H38 0.950(8) no .
C42 H42 0.950(10) no .
C44 H44 0.950(8) no .
C46 H46 0.950(9) no .
C47 H47A 0.990(9) no .
C47 H47B 0.990(13) no .
C48 H48A 0.990(12) no .
C48 H48B 0.990(9) no .
C49 H49A 0.990(9) no .
C49 H49B 0.990(13) no .
C50 H50A 0.990(13) no .
C50 H50B 0.990(9) no .
C51 H51A 0.990(11) no .
C51 H51B 0.990(17) no .
C52 H52A 0.980(11) no .
C52 H52B 0.980(14) no .
C52 H52C 0.980(11) no .
C54 H54 0.950(11) no .
C55 H55 0.950(16) no .
C56 H56 0.950(16) no .
C57 H57 0.950(11) no .
C61 H61 0.950(10) no .
C62 H62 0.950(14) no .
C63 H63 0.950(11) no .
C64 H64 0.950(9) no .
C68 H68 0.950(8) no .
C69 H69 0.950(8) no .
C72 H72 0.950(8) no .
C73 H73 0.950(8) no .
C76 H76 0.950(8) no .
C77 H77 0.950(8) no .
C80 H80 0.950(9) no .
C81 H81 0.950(12) no .
C82 H82 0.950(10) no .
C83 H83 0.950(9) no .
C87 H87 0.950(9) no .
C88 H88 0.950(11) no .
C89 H89 0.950(10) no .
C90 H90 0.950(8) no .
C94 H94 0.950(8) no .
C96 H96 0.950(9) no .
C98 H98 0.950(9) no .
C99 H1S 0.990 no .
C99 H1T 0.990 no .
C100 H2S 0.990 no .
C100 H2T 0.990 no .
C101 H3S 0.990 no .
C101 H3T 0.990 no .
C102 H4S 0.990 no .
C102 H4T 0.990 no .
C103 H5S 0.990 no .
C103 H5T 0.990 no .
C104 H6S 0.980 no .
C104 H6T 0.980 no .
C104 H6U 0.980 no .
C105 H7S 0.990 no .
C105 H7T 0.990 no .
C106 H8S 0.990 no .
C106 H8T 0.990 no .
C107 H9S 0.990 no .
C107 H9T 0.990 no .
C108 H10S 0.990 no .
C108 H10T 0.990 no .
C109 H11S 0.990 no .
C109 H11T 0.990 no .
C110 H12S 0.980 no .
C110 H12T 0.980 no .
C110 H12U 0.980 no .
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_publ_flag
_geom_contact_site_symmetry_2
Ag1 C1 3.566(8) no .
Ag1 C1X 3.202(10) no .
Ag1 C14 3.326(8) no .
Ag1 C27 3.506(9) no .
Ag1 C28 3.591(10) no .
Ag1 C40 3.328(8) no .
Ag2 C66 3.399(8) no .
Ag2 C90 3.443(9) no .
Ag2 C91 3.480(8) no .
Ag2 C92 3.413(8) no .
O2 C101 3.09(3) no .
O2 C107 2.88(2) no .
O2 C108 3.57(2) no .
N54 C53 3.236(11) no .
N54 C54 3.395(13) no .
N54 C64 3.532(12) no .
N54 C65 3.339(11) no .
N54 C69 2.805(10) no .
N55 C76 2.767(10) no .
N55 C79 3.404(10) no .
N55 C90 3.213(11) no .
N55 C91 3.144(10) no .
N96 C1 3.181(10) no .
N96 C2 3.392(10) no .
N96 C12 3.526(13) no .
N96 C13 3.251(12) no .
N96 C17 2.765(10) no .
N97 C24 2.799(11) no .
N97 C27 3.138(11) no .
N97 C28 3.232(11) no .
N97 C39 3.344(9) no .
C1 C4 2.841(13) no .
C1 C8 2.839(13) no .
C1 C16 3.524(11) no .
C2 C5 2.792(14) no .
C2 C15 2.919(12) no .
C2X C4X 3.195(15) no .
C3 C6 2.818(15) no .
C5 C45 2.919(15) no 2_666
C5 C46 3.462(14) no 2_666
C6 C13 2.836(11) no .
C6 C44 3.450(14) no 2_666
C6 C46 3.365(13) no 2_666
C7 C14 2.818(12) no .
C8 C11 2.817(12) no .
C8 C44 3.210(11) no 2_666
C8 C46 3.476(11) no 2_666
C9 C12 2.775(13) no .
C9 C44 3.312(11) no 2_666
C9 C45 2.880(11) no 2_666
C10 C13 2.817(14) no .
C12 C15 2.890(14) no .
C12 C16 3.451(13) no .
C13 C16 3.372(12) no .
C15 C18 2.784(12) no .
C16 C19 2.765(11) no .
C18 C23 2.851(12) no .
C19 C21 2.810(11) no .
C20 C22 2.839(10) no .
C22 C25 2.733(12) no .
C23 C26 2.769(11) no .
C25 C27 3.509(12) no .
C25 C38 3.429(13) no .
C25 C39 3.308(12) no .
C26 C28 2.887(12) no .
C26 C38 2.928(12) no .
C27 C30 2.843(12) no .
C27 C34 2.840(12) no .
C28 C31 2.790(12) no .
C29 C32 2.847(12) no .
C31 C41 2.930(12) no .
C31 C46 3.533(13) no .
C32 C39 2.842(11) no .
C32 C42 3.346(11) no .
C32 C46 3.396(12) no .
C33 C40 2.829(11) no .
C34 C37 2.849(12) no .
C34 C42 3.267(12) no .
C34 C46 3.390(11) no .
C35 C38 2.810(12) no .
C35 C41 2.882(12) no .
C35 C42 3.466(13) no .
C35 C46 3.510(12) no .
C36 C39 2.853(12) no .
C41 C44 2.798(11) no .
C42 C45 2.786(13) no .
C43 C46 2.785(13) no .
C44 C47 2.756(13) no .
C53 C56 2.779(18) no .
C53 C60 2.865(15) no .
C53 C68 3.384(11) no .
C54 C57 2.810(16) no .
C54 C67 2.901(13) no .
C54 C68 3.574(12) no .
C55 C58 2.81(2) no .
C57 C97 2.890(17) no 2_677
C57 C98 3.432(16) no 2_677
C58 C65 2.839(12) no .
C58 C96 3.404(15) no 2_677
C58 C98 3.327(13) no 2_677
C59 C66 2.813(11) no .
C60 C63 2.833(14) no .
C60 C96 3.310(12) no 2_677
C60 C98 3.418(11) no 2_677
C61 C64 2.778(13) no .
C61 C96 3.453(14) no 2_677
C61 C97 2.918(14) no 2_677
C62 C65 2.800(17) no .
C64 C67 2.907(14) no .
C64 C68 3.513(14) no .
C65 C68 3.371(12) no .
C67 C70 2.754(11) no .
C68 C71 2.753(11) no .
C70 C75 2.828(11) no .
C71 C73 2.841(11) no .
C72 C74 2.798(10) no .
C74 C77 2.733(11) no .
C75 C78 2.768(11) no .
C77 C79 3.249(10) no .
C77 C80 3.281(11) no .
C77 C91 3.537(12) no .
C78 C80 2.918(12) no .
C78 C90 2.921(13) no .
C79 C82 2.812(13) no .
C79 C86 2.853(13) no .
C80 C83 2.787(13) no .
C81 C84 2.856(15) no .
C83 C93 2.910(15) no .
C83 C94 3.281(15) no .
C84 C91 2.823(12) no .
C84 C94 3.197(13) no .
C84 C98 3.529(12) no .
C85 C92 2.824(11) no .
C86 C89 2.821(13) no .
C86 C94 3.465(12) no .
C86 C98 3.238(10) no .
C87 C90 2.777(12) no .
C87 C93 2.914(14) no .
C87 C98 3.242(12) no .
C88 C91 2.802(14) no .
C93 C96 2.811(12) no .
C94 C97 2.770(12) no .
C94 C99 3.05(3) no .
C95 C98 2.798(13) no .
C96 C105 2.861(17) no .
C99 C102 3.19(6) no .
C105 C108 3.09(3) no .
Ag1 Cl3B 3.366(3) no 2_666
Ag1 F8 3.445(5) no 2_566
Ag2 F6 2.978(5) no .
Cl1A Cl2B 3.573(6) no .
Cl1B C72 3.471(9) no 1_554
Cl1C C53 3.537(14) no 1_554
Cl1C C58 3.406(15) no 1_554
Cl1D C75 3.489(9) no 1_455
Cl1D C76 3.592(8) no 1_455
Cl2B Cl1A 3.573(6) no .
Cl2B F12 3.502(8) no .
Cl2C C104 3.31(8) no 1_455
Cl2D F3 3.559(6) no .
Cl2D F4 3.446(6) no .
Cl2D C16 3.591(8) no 2_567
Cl2D C17 3.169(9) no 2_567
Cl2D C18 3.544(9) no 2_567
Cl3A C28 3.577(11) no 2_566
Cl3A C52 3.600(13) no 1_445
Cl3B Ag1 3.366(3) no 2_666
Cl3B N96 3.474(7) no 2_666
Cl3B N97 3.357(8) no 2_666
Cl3C C2 3.577(13) no 2_566
Cl3D C71 3.595(8) no 1_455
Cl3F C55 3.58(2) no 1_554
F1 C1D 3.429(11) no .
F1 C72 3.369(9) no 2_567
F1 C73 3.323(9) no 2_567
F2 N55 3.227(8) no .
F2 C21 3.135(9) no .
F2 C24 3.438(9) no .
F2 C71 3.521(9) no .
F2 C74 3.009(10) no .
F2 C75 3.213(11) no .
F2 C76 3.595(11) no .
F2 C90 3.546(9) no .
F3 Cl2D 3.559(6) no .
F3 N54 3.514(8) no .
F3 C17 3.330(9) no 2_567
F3 C20 3.426(9) no 2_567
F3 C64 3.370(10) no .
F3 C70 3.453(10) no .
F3 C71 3.367(9) no .
F4 Cl2D 3.446(6) no .
F4 O6W 3.41(3) no 1_456
F4 C1D 3.176(9) no .
F4 C63 3.406(12) no .
F5 C81 3.189(12) no 1_455
F5 C82 3.405(13) no 1_455
F5 C89 3.229(10) no .
F5 C90 3.492(10) no .
F6 Ag2 2.978(5) no .
F6 N54 3.303(9) no .
F6 N55 3.597(9) no .
F6 C64 3.265(10) no .
F6 C89 3.534(11) no .
F6 C90 3.298(10) no .
F7 C1C 3.58(2) no .
F7 C9 3.399(10) no 2_666
F7 C10 3.435(11) no 2_666
F7 C30 3.482(11) no .
F7 C31 3.449(10) no .
F8 Ag1 3.445(5) no 2_566
F8 N96 3.480(9) no 2_566
F8 C2 3.247(11) no 2_566
F8 C28 3.320(9) no 2_566
F8 C29 3.530(10) no 2_566
F9 C17 3.508(11) no 2_566
F9 C18 3.166(10) no 2_566
F9 C19 3.199(10) no 2_566
F9 C68 3.254(10) no 1_554
F9 C69 3.195(10) no 1_554
F10 N97 3.514(9) no 2_566
F10 C1A 3.365(19) no .
F10 C22 3.267(11) no 2_566
F10 C23 3.299(10) no 2_566
F10 C24 3.566(9) no 2_566
F10 C28 3.528(10) no 2_566
F11 C1X 3.515(13) no .
F11 C30 3.595(12) no .
F12 Cl2B 3.502(8) no .
F12 C1B 3.202(13) no .
F12 C10 3.077(10) no 2_666
F12 C11 3.516(10) no 2_666
O1W C14 3.549(16) no 2_666
O1 C100 3.37(3) no .
O1 C106 3.479(18) no .
O2 O2W 3.01(2) no 2_776
O2 O3W 3.07(3) no 2_776
O2W O2 3.01(2) no 2_776
O2W C95 2.99(2) no 2_776
O2W C96 3.20(2) no 2_776
O3W O2 3.07(3) no 2_776
O3W C94 3.38(3) no 2_776
O3W C95 3.17(3) no 2_776
O5W O6W 3.04(4) no .
O5W C83 3.55(2) no 1_554
O6W F4 3.41(3) no 1_654
O6W O5W 3.04(4) no .
N54 F3 3.514(8) no .
N54 F6 3.303(9) no .
N55 F2 3.227(8) no .
N55 F6 3.597(9) no .
N96 Cl3B 3.474(7) no 2_666
N96 F8 3.480(9) no 2_566
N97 Cl3B 3.357(8) no 2_666
N97 F10 3.514(9) no 2_566
C1A F10 3.365(19) no .
C1B F12 3.202(13) no .
C1B C11 3.547(13) no 2_666
C1C F7 3.58(2) no .
C1D F1 3.429(11) no .
C1D F4 3.176(9) no .
C1X F11 3.515(13) no .
C2 Cl3C 3.577(13) no 2_566
C2 F8 3.247(11) no 2_566
C3 C30 3.596(16) no 2_566
C9 F7 3.399(10) no 2_666
C10 F7 3.435(11) no 2_666
C10 F12 3.077(10) no 2_666
C11 F12 3.516(10) no 2_666
C11 C1B 3.547(13) no 2_666
C11 C54 3.590(15) no 2_667
C14 O1W 3.549(16) no 2_666
C16 Cl2D 3.591(8) no 2_567
C17 Cl2D 3.169(9) no 2_567
C17 F3 3.330(9) no 2_567
C17 F9 3.508(11) no 2_566
C18 Cl2D 3.544(9) no 2_567
C18 F9 3.166(10) no 2_566
C19 F9 3.199(10) no 2_566
C20 F3 3.426(9) no 2_567
C20 C69 3.254(10) no 2_567
C21 F2 3.135(9) no .
C21 C76 3.432(11) no .
C22 F10 3.267(11) no 2_566
C23 F10 3.299(10) no 2_566
C23 C76 3.590(11) no .
C24 F2 3.438(9) no .
C24 F10 3.566(9) no 2_566
C24 C77 3.590(13) no .
C28 Cl3A 3.577(11) no 2_566
C28 F8 3.320(9) no 2_566
C28 F10 3.528(10) no 2_566
C29 F8 3.530(10) no 2_566
C30 F7 3.482(11) no .
C30 F11 3.595(12) no .
C30 C3 3.596(16) no 2_566
C31 F7 3.449(10) no .
C34 C52 3.440(16) no 2_676
C35 C99 3.38(2) no .
C36 C99 3.58(3) no .
C37 C79 3.565(12) no .
C37 C84 3.456(12) no .
C39 C52 3.380(14) no 2_676
C43 C100 3.40(3) no .
C51 C87 3.548(14) no 2_676
C52 Cl3A 3.600(13) no 1_665
C52 C34 3.440(16) no 2_676
C52 C39 3.380(14) no 2_676
C53 Cl1C 3.537(14) no 1_556
C54 C11 3.590(15) no 2_667
C55 Cl3F 3.58(2) no 1_556
C58 Cl1C 3.406(15) no 1_556
C63 F4 3.406(12) no .
C64 F3 3.370(10) no .
C64 F6 3.265(10) no .
C68 F9 3.254(10) no 1_556
C69 F9 3.195(10) no 1_556
C69 C20 3.254(10) no 2_567
C70 F3 3.453(10) no .
C71 Cl3D 3.595(8) no 1_655
C71 F2 3.521(9) no .
C71 F3 3.367(9) no .
C72 Cl1B 3.471(9) no 1_556
C72 F1 3.369(9) no 2_567
C73 F1 3.323(9) no 2_567
C74 F2 3.009(10) no .
C75 Cl1D 3.489(9) no 1_655
C75 F2 3.213(11) no .
C76 Cl1D 3.592(8) no 1_655
C76 F2 3.595(11) no .
C76 C21 3.432(11) no .
C76 C23 3.590(11) no .
C77 C24 3.590(13) no .
C79 C37 3.565(12) no .
C81 F5 3.189(12) no 1_655
C82 F5 3.405(13) no 1_655
C83 O5W 3.55(2) no 1_556
C84 C37 3.456(12) no .
C87 C51 3.548(14) no 2_676
C89 F5 3.229(10) no .
C89 F6 3.534(11) no .
C90 F2 3.546(9) no .
C90 F5 3.492(10) no .
C90 F6 3.298(10) no .
C94 O3W 3.38(3) no 2_776
C95 O2W 2.99(2) no 2_776
C95 O3W 3.17(3) no 2_776
C96 O2W 3.20(2) no 2_776
C99 C35 3.38(2) no .
C99 C36 3.58(3) no .
C100 O1 3.37(3) no .
C100 C43 3.40(3) no .
C104 Cl2C 3.31(8) no 1_655
C106 O1 3.479(18) no .
Ag1 H1A 3.3749(7) no .
Ag1 H1C 2.6645(7) no .
Ag1 H2B 3.4226(7) no .
Ag1 H3B 3.1812(8) no .
Ag1 H4B 3.4892 no .
Ag1 H4C 3.5513 no .
Ag1 H28 3.4605(8) no .
Ag2 H90 3.2841(7) no .
O1X H1A 2.616(7) no .
O1X H1B 3.267(7) no .
O1X H1C 2.604(8) no .
O1X H4A 3.2644 no .
O1X H4B 2.9506 no .
O1X H4C 2.5028 no .
O1 H42 2.507(6) no .
O1 H44 2.619(7) no .
O1 H48A 2.576(7) no .
O1 H48B 2.652(6) no .
O2 H2S 3.2600 no .
O2 H2T 2.5899 no .
O2 H3S 2.7217 no .
O2 H8S 3.1915 no .
O2 H8T 2.5711 no .
O2 H9S 2.5556 no .
O2 H10S 3.1534 no .
O2 H94 2.502(7) no .
O2 H96 2.599(8) no .
N54 H54 2.889(6) no .
N54 H64 3.025(7) no .
N54 H68 3.253(6) no .
N55 H77 3.219(6) no .
N55 H80 3.317(7) no .
N55 H90 2.695(7) no .
N96 H2 2.942(6) no .
N96 H12 3.111(8) no .
N96 H16 3.256(6) no .
N97 H25 3.255(7) no .
N97 H28 2.722(7) no .
N97 H38 3.210(6) no .
C1 H1A 3.296(8) no .
C1 H3 3.297(9) no .
C1 H5 3.332(8) no .
C2 H1A 3.229(9) no .
C2 H4 3.270(9) no .
C2X H2A 3.211(11) no 2_666
C2X H2B 3.600(12) no 2_666
C2X H3A 2.671(13) no .
C2X H3A 3.273(10) no 2_666
C2X H3B 3.339(11) no .
C2X H4A 3.5178 no 2_666
C2X H4C 2.8093 no .
C3 H1A 3.072(9) no .
C3 H5 3.283(11) no .
C3X H2A 2.715(11) no .
C3X H2A 3.358(11) no 2_666
C3X H2B 2.803(12) no .
C4 H1A 2.967(9) no .
C4 H2 3.273(11) no .
C4X H2A 3.526(11) no .
C4X H2A 3.130(11) no 2_666
C4X H2B 2.954(12) no .
C5 H1A 2.984(9) no .
C5 H3 3.277(11) no .
C5 H46 3.466(10) no 2_666
C6 H1A 3.151(9) no .
C6 H2 3.307(9) no .
C6 H4 3.288(8) no .
C6 H44 3.497(10) no 2_666
C6 H46 3.354(8) no 2_666
C7 H5 2.667(8) no .
C7 H9 2.665(9) no .
C7 H44 2.653(8) no 2_666
C7 H46 2.732(8) no 2_666
C8 H3B 3.171(7) no .
C8 H10 3.277(8) no .
C8 H12 3.322(8) no .
C8 H44 3.164(7) no 2_666
C9 H3B 3.367(8) no .
C9 H11 3.261(8) no .
C9 H44 3.335(7) no 2_666
C10 H12 3.236(10) no .
C11 H9 3.265(9) no .
C12 H10 3.229(10) no .
C12 H16 3.582(9) no .
C13 H3B 3.296(7) no .
C13 H9 3.312(9) no .
C13 H11 3.296(8) no .
C13 H16 3.451(8) no .
C14 H2 2.648(9) no .
C14 H12 2.692(7) no .
C14 H16 2.784(7) no .
C15 H2 2.579(8) no .
C15 H12 2.554(9) no .
C15 H17 3.250(8) no .
C16 H2 3.232(8) no .
C16 H12 2.893(8) no .
C17 H12 3.580(9) no .
C17 H20 2.740(8) no .
C18 H16 3.262(8) no .
C18 H21 3.277(8) no .
C19 H17 3.288(7) no .
C19 H20 3.309(7) no .
C20 H17 2.736(8) no .
C21 H24 2.732(8) no .
C22 H21 3.333(8) no .
C22 H24 3.284(9) no .
C22 H28 3.530(8) no .
C23 H20 3.299(8) no .
C23 H25 3.246(8) no .
C24 H21 2.737(7) no .
C25 H28 3.289(8) no .
C25 H38 2.912(10) no .
C26 H24 3.264(9) no .
C26 H28 2.530(8) no .
C26 H38 2.599(9) no .
C27 H1C 3.430(8) no .
C27 H29 3.300(8) no .
C27 H31 3.335(8) no .
C28 H1C 3.070(9) no .
C28 H30 3.283(8) no .
C29 H1C 3.023(11) no .
C29 H31 3.292(9) no .
C30 H1B 3.504(11) no .
C30 H1C 3.340(11) no .
C30 H28 3.284(9) no .
C31 H2B 3.573(11) no .
C31 H29 3.290(9) no .
C31 H46 3.588(10) no .
C32 H2B 3.404(9) no .
C32 H28 3.316(8) no .
C32 H30 3.297(8) no .
C32 H42 3.340(8) no .
C32 H46 3.424(9) no .
C33 H4C 3.3892 no .
C33 H31 2.668(8) no .
C33 H35 2.657(9) no .
C33 H42 2.599(9) no .
C33 H46 2.703(9) no .
C34 H4C 3.1080 no .
C34 H36 3.292(9) no .
C34 H38 3.347(8) no .
C34 H42 3.248(8) no .
C34 H46 3.458(8) no .
C35 H4C 3.4705 no .
C35 H37 3.285(9) no .
C35 H42 3.569(10) no .
C36 H38 3.290(8) no .
C37 H4B 3.5848 no .
C37 H35 3.291(9) no .
C38 H4B 3.4263 no .
C38 H25 3.425(10) no .
C38 H36 3.284(8) no .
C39 H4B 3.4733 no .
C39 H4C 3.3952 no .
C39 H25 3.284(9) no .
C39 H35 3.345(7) no .
C39 H37 3.323(8) no .
C40 H25 2.739(8) no .
C40 H28 2.647(8) no .
C40 H38 2.691(8) no .
C41 H31 2.591(8) no .
C41 H35 2.533(8) no .
C42 H31 3.212(8) no .
C42 H35 3.015(10) no .
C42 H44 3.253(9) no .
C42 H46 3.249(10) no .
C43 H47A 2.632(9) no .
C43 H47B 2.635(8) no .
C44 H5 3.299(10) no 2_666
C44 H9 2.835(8) no 2_666
C44 H42 3.248(9) no .
C44 H46 3.292(8) no .
C44 H47A 2.670(9) no .
C44 H47B 2.702(8) no .
C45 H5 2.578(9) no 2_666
C45 H9 2.536(8) no 2_666
C46 H5 2.921(9) no 2_666
C46 H9 3.155(8) no 2_666
C46 H31 2.993(9) no .
C46 H35 2.969(8) no .
C46 H42 3.249(10) no .
C46 H44 3.293(8) no .
C47 H44 2.418(11) no .
C47 H49A 2.681(10) no .
C47 H49B 2.586(9) no .
C48 H50A 2.736(10) no .
C48 H50B 2.777(8) no .
C49 H47A 2.620(9) no .
C49 H47B 2.698(10) no .
C49 H51A 2.643(9) no .
C49 H51B 2.715(9) no .
C50 H48A 2.797(9) no .
C50 H48B 2.708(9) no .
C50 H52A 2.705(9) no .
C50 H52B 2.741(10) no .
C50 H52C 3.379(9) no .
C51 H49A 2.641(10) no .
C51 H49B 2.685(12) no .
C52 H50A 2.683(10) no .
C52 H50B 2.756(11) no .
C53 H55 3.266(10) no .
C53 H57 3.329(8) no .
C53 H68 3.424(8) no .
C54 H56 3.259(10) no .
C55 H57 3.277(16) no .
C56 H54 3.274(14) no .
C57 H55 3.265(13) no .
C57 H87 3.536(11) no 2_677
C57 H98 3.485(13) no 2_677
C58 H54 3.331(11) no .
C58 H56 3.227(10) no .
C58 H96 3.447(11) no 2_677
C58 H98 3.315(10) no 2_677
C59 H57 2.650(9) no .
C59 H61 2.660(11) no .
C59 H96 2.660(9) no 2_677
C59 H98 2.671(8) no 2_677
C60 H62 3.263(10) no .
C60 H64 3.307(8) no .
C60 H96 3.290(8) no 2_677
C60 H98 3.464(8) no 2_677
C61 H63 3.271(10) no .
C61 H96 3.495(11) no 2_677
C62 H64 3.286(13) no .
C63 H61 3.276(10) no .
C64 H62 3.276(10) no .
C65 H61 3.296(9) no .
C65 H63 3.288(9) no .
C65 H68 3.379(9) no .
C66 H54 2.649(9) no .
C66 H64 2.655(8) no .
C66 H68 2.694(8) no .
C67 H54 2.559(8) no .
C67 H64 2.538(9) no .
C67 H69 3.268(8) no .
C68 H54 3.127(8) no .
C68 H64 3.036(9) no .
C69 H72 2.696(8) no .
C70 H68 3.293(8) no .
C70 H73 3.281(7) no .
C71 H69 3.290(7) no .
C71 H72 3.318(7) no .
C72 H69 2.708(8) no .
C73 H76 2.692(7) no .
C74 H73 3.292(7) no .
C74 H76 3.257(7) no .
C74 H90 3.591(8) no .
C75 H72 3.277(8) no .
C75 H77 3.254(8) no .
C76 H73 2.698(7) no .
C76 H80 3.552(7) no .
C77 H80 2.723(8) no .
C77 H90 3.347(10) no .
C78 H76 3.243(8) no .
C78 H80 2.572(9) no .
C78 H90 2.567(9) no .
C79 H77 3.200(7) no .
C79 H81 3.290(9) no .
C79 H83 3.325(7) no .
C80 H77 3.224(8) no .
C80 H82 3.225(8) no .
C81 H83 3.271(11) no .
C82 H80 3.231(9) no .
C83 H81 3.271(11) no .
C83 H94 3.169(10) no .
C84 H80 3.346(9) no .
C84 H82 3.320(10) no .
C84 H94 3.090(9) no .
C85 H83 2.707(9) no .
C85 H87 2.652(9) no .
C85 H94 2.646(8) no .
C85 H98 2.697(8) no .
C86 H88 3.266(10) no .
C86 H90 3.316(8) no .
C86 H94 3.567(9) no .
C86 H98 3.195(7) no .
C87 H89 3.255(9) no .
C87 H98 3.178(9) no .
C88 H90 3.252(10) no .
C89 H87 3.256(9) no .
C90 H88 3.247(9) no .
C91 H87 3.309(8) no .
C91 H89 3.292(9) no .
C92 H77 2.700(7) no .
C92 H80 2.689(9) no .
C92 H90 2.653(9) no .
C93 H83 2.583(10) no .
C93 H87 2.577(10) no .
C94 H1S 3.0366 no .
C94 H1T 3.1220 no .
C94 H83 2.783(10) no .
C94 H87 3.386(10) no .
C94 H96 3.270(8) no .
C94 H98 3.261(9) no .
C95 H1S 2.8361 no .
C95 H1T 2.8852 no .
C95 H7S 2.7471 no .
C95 H7T 2.5871 no .
C96 H7S 3.0068 no .
C96 H7T 2.6755 no .
C96 H57 3.148(11) no 2_677
C96 H61 2.953(10) no 2_677
C96 H94 3.264(9) no .
C96 H98 3.269(9) no .
C97 H57 2.538(10) no 2_677
C97 H61 2.564(9) no 2_677
C97 H87 3.498(8) no .
C98 H57 2.898(10) no 2_677
C98 H61 3.156(8) no 2_677
C98 H83 3.392(10) no .
C98 H87 2.651(9) no .
C98 H94 3.258(8) no .
C98 H96 3.271(8) no .
C99 H3S 2.5982 no .
C99 H3T 3.3303 no .
C99 H4S 3.4694 no .
C99 H4T 2.9761 no .
C99 H94 2.76(2) no .
C100 H4S 2.6097 no .
C100 H4T 2.7493 no .
C101 H1S 3.3365 no .
C101 H1T 2.6521 no .
C101 H5S 2.4916 no .
C101 H5T 2.5441 no .
C102 H1T 2.8616 no .
C102 H2S 2.5390 no .
C102 H2T 3.2788 no .
C102 H6S 2.8965 no .
C102 H6T 2.9388 no .
C102 H6U 3.4509 no .
C103 H3S 2.6539 no .
C103 H3T 2.5027 no .
C104 H4S 2.9131 no .
C104 H4T 2.9525 no .
C105 H9S 2.7255 no .
C105 H9T 3.3753 no .
C105 H10S 2.7778 no .
C105 H10T 3.3474 no .
C105 H96 2.586(15) no .
C106 H10S 2.7421 no .
C106 H10T 2.6874 no .
C107 H7S 2.7650 no .
C107 H7T 3.3884 no .
C107 H11S 2.6658 no .
C107 H11T 2.6660 no .
C108 H7S 2.7982 no .
C108 H8S 2.7195 no .
C108 H8T 3.3553 no .
C108 H12S 2.6106 no .
C108 H12T 3.3328 no .
C108 H12U 3.0187 no .
C109 H9S 2.7020 no .
C109 H9T 2.6466 no .
C110 H10S 2.7727 no .
C110 H10T 2.7724 no .
H1A H2A 2.33998(10) no .
H1A H2B 2.83953(9) no .
H1A H3 3.56605(12) no .
H1A H4 3.44502(11) no .
H1A H5 3.44731(13) no .
H1B H2A 2.34240(10) no .
H1B H2B 2.33402(8) no .
H1B H3A 3.45932(12) no 2_666
H1B H4A 3.0432 no 2_666
H1C H2A 2.83952(11) no .
H1C H2B 2.34850(10) no .
H1C H28 3.41341(9) no .
H1C H29 3.34487(11) no .
H1S H2S 2.2715 no .
H1S H2T 2.4124 no .
H1S H3S 3.5440 no .
H1S H94 2.5803 no .
H1T H2S 2.4146 no .
H1T H2T 2.8502 no .
H1T H3S 2.7101 no .
H1T H3T 3.5973 no .
H1T H4S 3.1778 no .
H1T H4T 2.3732 no .
H1T H94 2.6784 no .
H2 H3 2.29431(8) no .
H2 H16 3.51163(12) no .
H2A H2A 2.80275(10) no 2_666
H2A H2B 2.81558(12) no 2_666
H2A H3A 2.48078(8) no .
H2A H3A 2.87250(9) no 2_666
H2A H3B 3.54172(13) no .
H2A H4A 2.8302 no 2_666
H2A H4C 3.2606 no .
H2A H4C 2.8528 no 2_666
H2A H46 2.92599(10) no 2_666
H2B H3A 3.00333(9) no .
H2B H3A 2.83404(11) no 2_666
H2B H4A 3.5268 no .
H2B H4C 2.3045 no .
H2B H46 3.22509(10) no .
H2S H3S 2.8199 no .
H2S H3T 2.4337 no .
H2S H4S 2.2963 no .
H2S H4T 2.8864 no .
H2T H3S 2.4385 no .
H2T H3T 2.2116 no .
H2T H4S 3.4226 no .
H3 H4 2.38443(7) no .
H3A H4A 2.2438 no .
H3A H4B 2.8307 no .
H3A H4C 2.5947 no .
H3A H46 2.93875(9) no 2_666
H3B H4A 2.5841 no .
H3B H4B 2.2493 no .
H3B H4C 2.8363 no .
H3S H4S 2.8419 no .
H3S H4T 2.2974 no .
H3S H5S 2.8613 no .
H3S H5T 2.4029 no .
H3T H4S 2.4071 no .
H3T H4T 2.8401 no .
H3T H5S 2.1858 no .
H3T H5T 2.7146 no .
H4 H5 2.31091(10) no .
H4C H46 3.2633 no .
H4S H5S 2.3612 no .
H4S H5T 2.8335 no .
H4S H6S 2.7958 no .
H4S H6T 3.2641 no .
H4T H5S 2.8313 no .
H4T H5T 2.3211 no .
H4T H6S 3.2593 no .
H4T H6T 2.8854 no .
H5 H35 3.22506(10) no 2_666
H5 H46 3.04774(12) no 2_666
H5S H6S 2.3445 no .
H5S H6T 2.8143 no .
H5S H6U 2.2607 no .
H5T H6S 2.8167 no .
H5T H6T 2.3016 no .
H5T H6U 2.3011 no .
H7S H8S 2.3669 no .
H7S H8T 2.8668 no .
H7S H9S 3.0447 no .
H7S H10S 2.2666 no .
H7S H10T 2.9667 no .
H7S H96 2.6187 no .
H7T H8S 2.3656 no .
H7T H8T 2.3547 no .
H7T H96 2.1998 no .
H8S H9S 2.8612 no .
H8S H9T 2.3746 no .
H8S H10S 3.0375 no .
H8S H10T 2.5057 no .
H8T H9S 2.3727 no .
H8T H9T 2.3228 no .
H8T H10T 3.5661 no .
H9 H10 2.30072(8) no .
H9 H31 3.52711(12) no 2_666
H9 H44 3.04493(9) no 2_666
H9 H46 3.53207(12) no 2_666
H9S H10S 2.3167 no .
H9S H10T 2.8324 no .
H9S H11S 2.9810 no .
H9S H11T 2.4982 no .
H9T H10S 2.8323 no .
H9T H10T 2.3614 no .
H9T H11S 2.4384 no .
H9T H11T 2.8959 no .
H10 H11 2.35644(7) no .
H10S H11S 2.8413 no .
H10S H11T 2.3497 no .
H10S H12S 2.7486 no .
H10S H12U 2.9248 no .
H10T H11S 2.3499 no .
H10T H11T 2.8412 no .
H10T H12S 2.4857 no .
H10T H12T 3.4624 no .
H10T H12U 3.3920 no .
H11 H12 2.26657(10) no .
H11S H12S 2.5503 no .
H11S H12T 2.1917 no .
H11S H12U 2.7940 no .
H11T H12S 2.8060 no .
H11T H12T 2.5256 no .
H11T H12U 2.2049 no .
H12 H16 3.15113(13) no .
H16 H17 2.26712(6) no .
H17 H20 2.59705(9) no .
H20 H21 2.26633(9) no .
H21 H24 2.59477(8) no .
H24 H25 2.29855(7) no .
H25 H38 3.04711(13) no .
H28 H29 2.30572(8) no .
H29 H30 2.40909(8) no .
H30 H31 2.29719(9) no .
H31 H42 3.51286(11) no .
H31 H46 3.16483(15) no .
H35 H36 2.28932(8) no .
H35 H42 3.30456(11) no .
H35 H46 3.23871(10) no .
H36 H37 2.39643(8) no .
H37 H38 2.30518(10) no .
H44 H47A 2.17107(7) no .
H44 H47B 2.23311(9) no .
H47A H48A 2.42347(7) no .
H47A H48B 2.88224(9) no .
H47A H49A 2.45865(9) no .
H47A H49B 2.78975(9) no .
H47B H48A 2.88229(10) no .
H47B H48B 2.36731(7) no .
H47B H49A 3.04861(8) no .
H47B H49B 2.44133(8) no .
H48A H49A 2.34180(8) no .
H48A H49B 2.86368(11) no .
H48A H50A 2.62416(9) no .
H48A H50B 3.14806(10) no .
H48B H49A 2.86484(12) no .
H48B H49B 2.41190(8) no .
H48B H50A 2.94929(8) no .
H48B H50B 2.57190(9) no .
H49A H50A 2.41564(8) no .
H49A H50B 2.88464(9) no .
H49A H51A 2.40617(8) no .
H49A H51B 2.96314(10) no .
H49B H50A 2.88509(9) no .
H49B H50B 2.38337(8) no .
H49B H51A 2.92103(8) no .
H49B H51B 2.53125(8) no .
H50A H51A 2.42504(9) no .
H50A H51B 2.88472(11) no .
H50A H52A 2.91991(9) no .
H50A H52B 2.52164(8) no .
H50A H52C 3.59277(10) no .
H50B H51A 2.88478(12) no .
H50B H51B 2.37249(8) no .
H50B H52A 2.56028(8) no .
H50B H52B 3.08189(9) no .
H51A H52A 2.90818(9) no .
H51A H52B 2.41389(8) no .
H51A H52C 2.43444(10) no .
H51B H52A 2.44044(8) no .
H51B H52B 2.90803(10) no .
H51B H52C 2.40855(7) no .
H54 H55 2.31880(8) no .
H54 H68 3.43490(13) no .
H55 H56 2.37438(9) no .
H56 H57 2.25774(8) no .
H57 H87 2.72896(10) no 2_677
H57 H96 3.47798(14) no 2_677
H57 H98 3.09523(8) no 2_677
H61 H62 2.25579(8) no .
H61 H96 3.15457(11) no 2_677
H61 H98 3.46270(14) no 2_677
H62 H63 2.41371(9) no .
H63 H64 2.31713(9) no .
H64 H68 3.30275(9) no .
H68 H69 2.35173(9) no .
H69 H72 2.54948(8) no .
H72 H73 2.28356(9) no .
H73 H76 2.55039(9) no .
H76 H77 2.31417(7) no .
H77 H80 2.80349(10) no .
H80 H81 2.26945(10) no .
H81 H82 2.34247(7) no .
H82 H83 2.31191(7) no .
H83 H94 2.83081(9) no .
H87 H88 2.27951(10) no .
H87 H98 2.70369(10) no .
H88 H89 2.35348(7) no .
H89 H90 2.30967(7) no .
Sb1 H1X 3.5094 no .
Sb1 H64 3.4748(5) no .
Sb1 H81 3.5007(6) no 1_455
Sb1 H90 3.4352(6) no .
Sb2 H28 3.5715(6) no 2_566
Sb2 H30 3.5498(5) no .
Cl1A H36 3.299(5) no 2_666
Cl1A H82 3.309(5) no 2_666
Cl1B H11 3.082(3) no 2_666
Cl1B H12 3.562(3) no 2_666
Cl1B H72 3.358(4) no 1_554
Cl1B H76 3.581(4) no 2_666
Cl1C H9 3.148(11) no 2_666
Cl1C H10 3.346(10) no 2_666
Cl1C H47A 2.983(9) no .
Cl1C H96 3.542(11) no 2_676
Cl1D H73 3.354(3) no 2_567
Cl1D H80 3.095(3) no 1_455
Cl1E H61 3.199(10) no 1_654
Cl1E H62 3.451(9) no 1_654
Cl1E H82 3.496(8) no 2_776
Cl1E H83 3.090(8) no 2_776
Cl1E H88 3.148(10) no 2_676
Cl1F H44 3.558(7) no .
Cl1F H47B 3.434(8) no .
Cl2A H4 3.424(6) no .
Cl2A H4A 2.9089 no 2_666
Cl2A H36 3.257(6) no 2_666
Cl2B H4B 3.4676 no 2_666
Cl2B H37 3.424(4) no 2_666
Cl2B H81 3.422(5) no 2_666
Cl2C H3 3.316(9) no 2_566
Cl2C H6S 2.5982 no 1_455
Cl2C H6U 3.1682 no 1_455
Cl2C H7T 3.3735 no 2_676
Cl2C H12T 3.3562 no 1_455
Cl2D H12 3.131(2) no 2_567
Cl2D H17 3.134(3) no 2_567
Cl2D H73 3.232(3) no 2_567
Cl2D H76 3.378(3) no 2_567
Cl2E H51B 3.449(11) no .
Cl2E H82 3.497(10) no 2_776
Cl2E H83 3.486(10) no 2_776
Cl2E H88 3.434(10) no 2_676
Cl2F H56 3.351(17) no 1_554
Cl2F H61 3.514(17) no 1_654
Cl2F H62 3.503(16) no 1_654
Cl3A H11T 3.4666 no 2_666
Cl3A H12U 3.3934 no 2_666
Cl3A H25 3.291(5) no 2_566
Cl3A H51B 3.556(4) no 1_445
Cl3A H52A 3.110(5) no 1_445
Cl3A H52C 3.320(5) no 1_445
Cl3B H3B 3.374(3) no 2_666
Cl3B H4B 3.0242 no 2_666
Cl3B H12 3.366(3) no 2_666
Cl3B H38 3.283(3) no 2_666
Cl3B H76 3.563(3) no 2_666
Cl3B H77 3.088(3) no 2_666
Cl3C H1Z 3.0413 no 1_455
Cl3C H2 3.182(10) no 2_566
Cl3C H16 3.316(10) no 2_566
Cl3C H68 3.254(11) no 1_554
Cl3D H11 3.564(4) no 2_567
Cl3D H54 2.994(4) no 1_455
Cl3E H49B 3.167(10) no .
Cl3E H51B 3.211(11) no .
Cl3E H56 3.018(9) no 1_554
Cl3E H88 3.483(11) no 2_676
Cl3F H44 3.195(10) no .
Cl3F H55 2.973(10) no 1_554
Cl3F H56 3.222(11) no 1_554
F1 H1X 2.7873 no .
F1 H21 3.234(6) no .
F1 H72 2.754(5) no 2_567
F1 H73 2.657(5) no 2_567
F1 H81 3.022(6) no 1_455
F2 H21 2.344(5) no .
F2 H24 2.770(5) no .
F2 H90 2.610(5) no .
F3 H17 2.505(5) no 2_567
F3 H20 2.627(5) no 2_567
F3 H64 2.466(4) no .
F4 H1X 2.3420 no .
F4 H63 2.786(6) no .
F4 H64 3.305(6) no .
F4 H81 3.134(6) no 1_455
F5 H24 2.967(6) no .
F5 H81 2.471(5) no 1_455
F5 H82 2.903(6) no 1_455
F5 H89 2.463(5) no .
F5 H90 2.996(5) no .
F6 H64 2.828(5) no .
F6 H89 3.252(5) no .
F6 H90 2.770(5) no .
F7 H1W 2.5971 no .
F7 H2 3.415(6) no 2_566
F7 H3 3.270(6) no 2_566
F7 H9 2.910(5) no 2_666
F7 H10 2.978(6) no 2_666
F7 H30 2.868(6) no .
F7 H31 2.790(6) no .
F8 H1C 3.260(5) no 2_566
F8 H2 2.690(6) no 2_566
F8 H3 3.413(5) no 2_566
F8 H28 2.757(5) no 2_566
F8 H29 3.185(5) no 2_566
F8 H30 2.751(5) no .
F9 H2 3.219(7) no 2_566
F9 H10 3.218(6) no 2_666
F9 H68 2.682(6) no 1_554
F9 H69 2.555(6) no 1_554
F10 H1U 2.4748 no .
F10 H28 2.609(6) no 2_566
F11 H1B 2.541(7) no .
F11 H3A 3.318(7) no 2_666
F11 H4A 2.8995 no 2_666
F11 H28 3.447(6) no 2_566
F11 H29 2.789(6) no 2_566
F11 H30 3.092(7) no .
F12 H1V 2.3254 no .
F12 H3B 2.988(7) no 2_666
F12 H10 2.901(6) no 2_666
F12 H69 3.357(7) no 1_554
O1W H16 3.246(15) no 2_666
O1W H55 3.164(15) no 1_554
O1 H2S 2.9867 no .
O1 H2T 2.8366 no .
O1 H8T 2.6076 no .
O1 H9T 3.5535 no .
O1 H48B 3.469(7) no 2_676
O1 H50B 3.505(7) no 2_676
O2 H1Y 3.4631 no 2_776
O2 H50A 2.903(9) no 2_676
O2W H61 3.05(2) no 1_654
O2W H96 3.29(2) no 2_776
O3W H83 3.06(2) no 2_776
O3W H94 3.41(2) no 2_776
O4W H56 3.25(2) no 1_554
O4W H61 3.50(3) no 1_654
O4W H62 3.12(3) no 1_654
O4W H88 2.90(3) no 2_676
O5W H83 3.481(17) no 1_554
O5W H98 3.246(19) no 1_554
C1A H28 3.287(19) no 2_566
C1B H4B 3.5342 no 2_666
C1B H11 3.314(10) no 2_666
C1C H3 3.445(17) no 2_566
C1D H80 3.324(9) no 1_455
C1E H61 3.54(2) no 1_654
C1E H83 3.47(2) no 2_776
C1E H88 3.56(3) no 2_676
C1X H29 3.320(12) no 2_566
C3 H1W 3.4573 no 2_566
C3 H30 3.073(12) no 2_566
C4 H4S 3.2615 no 2_666
C4 H6S 3.2758 no 2_666
C4 H11S 2.9919 no 2_666
C4 H11T 3.5370 no 2_666
C5 H4S 3.0677 no 2_666
C5 H11S 3.1861 no 2_666
C10 H1V 3.4099 no 2_666
C10 H54 3.398(9) no 2_667
C10 H68 3.363(10) no 2_667
C11 H1V 2.8329 no 2_666
C11 H54 3.031(10) no 2_667
C11 H55 3.544(8) no 2_667
C12 H1V 3.2371 no 2_666
C17 H64 3.187(7) no 2_567
C17 H68 3.483(8) no 2_567
C18 H69 3.380(8) no 2_567
C18 H76 3.583(7) no .
C20 H69 2.909(8) no 2_567
C20 H72 3.379(9) no 2_567
C20 H76 3.308(8) no .
C21 H69 3.394(7) no 2_567
C21 H72 3.283(8) no 2_567
C21 H76 3.215(8) no .
C23 H76 3.416(9) no .
C23 H77 3.458(8) no .
C24 H1U 3.5809 no 2_566
C24 H77 3.432(9) no .
C24 H90 3.213(7) no .
C25 H1U 3.2118 no 2_566
C25 H52C 3.393(8) no 2_676
C25 H77 3.528(9) no .
C26 H1U 3.5145 no 2_566
C27 H52A 3.489(8) no 2_676
C28 H1U 2.9587 no 2_566
C29 H1U 3.5664 no 2_566
C30 H3 2.886(11) no 2_566
C31 H3 3.341(10) no 2_566
C32 H52A 3.399(8) no 2_676
C33 H52A 3.170(9) no 2_676
C34 H1S 3.5814 no .
C34 H52A 3.114(10) no 2_676
C34 H52B 2.977(8) no 2_676
C35 H1S 2.7847 no .
C35 H1T 3.0566 no .
C35 H9S 3.5091 no .
C35 H52B 3.162(10) no 2_676
C35 H94 3.452(8) no .
C36 H1S 3.2176 no .
C36 H1T 3.0014 no .
C36 H52B 3.451(10) no 2_676
C36 H94 2.894(9) no .
C37 H52B 3.557(10) no 2_676
C37 H94 3.172(9) no .
C38 H52B 3.378(9) no 2_676
C38 H52C 3.568(10) no 2_676
C38 H77 3.363(8) no .
C39 H52A 3.207(9) no 2_676
C39 H52B 3.093(7) no 2_676
C39 H52C 3.275(8) no 2_676
C40 H52A 3.363(8) no 2_676
C40 H52C 3.466(8) no 2_676
C42 H1S 3.1486 no .
C42 H2S 3.1128 no .
C42 H8T 3.5508 no .
C42 H50B 3.444(10) no 2_676
C42 H52A 3.546(9) no 2_676
C43 H1S 3.5988 no .
C43 H2S 2.6879 no .
C43 H2T 3.2563 no .
C43 H8T 3.1102 no .
C43 H9T 3.3059 no .
C44 H2S 2.9562 no .
C44 H9T 3.2379 no .
C45 H2S 3.5927 no .
C47 H2S 3.4440 no .
C47 H2T 3.1585 no .
C47 H8S 3.4641 no .
C47 H8T 3.0649 no .
C48 H2T 3.5980 no .
C48 H6U 3.5532 no 2_776
C48 H7T 3.4271 no 2_676
C48 H8T 3.4477 no .
C48 H48B 3.227(11) no 2_676
C49 H6U 3.5244 no 2_776
C49 H12S 3.4163 no 2_776
C49 H12U 3.4890 no 2_776
C50 H1S 3.3612 no 2_676
C50 H6T 3.2571 no 2_776
C50 H6U 3.5362 no 2_776
C50 H12U 3.2533 no 2_776
C50 H42 3.127(10) no 2_676
C51 H6T 3.5465 no 2_776
C51 H12U 3.1604 no 2_776
C51 H87 3.215(11) no 2_676
C52 H1S 3.5713 no 2_676
C52 H25 3.413(10) no 2_676
C52 H42 3.347(12) no 2_676
C52 H94 3.424(13) no 2_676
C54 H11 3.424(11) no 2_667
C57 H49A 3.380(13) no 1_556
C63 H16 3.193(11) no 2_567
C63 H17 3.359(11) no 2_567
C64 H16 3.398(9) no 2_567
C64 H17 2.922(8) no 2_567
C68 H10 2.985(9) no 2_667
C68 H11 3.327(9) no 2_667
C68 H17 3.232(9) no 2_567
C69 H10 3.518(8) no 2_667
C69 H11 3.295(8) no 2_667
C69 H17 3.490(9) no 2_567
C69 H20 2.885(8) no 2_567
C70 H20 3.011(7) no 2_567
C72 H20 3.098(8) no 2_567
C72 H21 3.476(7) no 2_567
C76 H21 3.556(8) no .
C77 H38 3.298(8) no .
C79 H37 2.876(8) no .
C79 H38 3.477(7) no .
C80 H1X 3.3595 no 1_655
C80 H37 2.979(8) no .
C81 H1X 3.4168 no 1_655
C81 H37 3.060(10) no .
C82 H37 3.043(10) no .
C83 H37 2.920(9) no .
C84 H37 2.863(9) no .
C86 H52C 3.421(8) no 2_676
C87 H51A 2.805(9) no 2_676
C87 H52C 3.231(9) no 2_676
C88 H51A 3.356(10) no 2_676
C88 H52C 3.472(10) no 2_676
C89 H24 3.533(9) no .
C89 H25 3.538(10) no .
C90 H24 3.103(7) no .
C90 H25 3.298(8) no .
C92 H38 3.390(7) no .
C93 H51A 3.483(9) no 2_676
C94 H50A 3.520(10) no 2_676
C94 H51A 3.328(11) no 2_676
C94 H52B 3.042(9) no 2_676
C95 H1Y 3.3198 no 2_776
C95 H50A 3.179(10) no 2_676
C96 H1Y 3.5664 no 2_776
C99 H35 2.94(2) no .
C99 H36 3.34(3) no .
C99 H50A 3.02(4) no 2_676
C100 H35 3.51(3) no .
C100 H47B 3.24(3) no .
C101 H5S 3.1082 no 2_776
C102 H5 3.54(4) no 2_666
C103 H3T 3.0335 no 2_776
C104 H4 3.52(6) no 2_666
C104 H49B 3.49(7) no 2_776
C104 H50B 3.08(7) no 2_776
C105 H48A 3.254(19) no 2_676
C105 H50A 3.412(17) no 2_676
C106 H47B 3.182(15) no .
C106 H48A 3.45(2) no 2_676
C106 H48B 3.371(19) no .
C106 H50A 3.576(18) no 2_676
C107 H47B 3.52(2) no .
C109 H4 3.12(2) no 2_666
C109 H5 3.60(2) no 2_666
C110 H49B 3.16(3) no 2_776
C110 H50B 3.08(3) no 2_776
C110 H51B 3.28(4) no 2_776
H1A H29 3.39010(11) no 2_566
H1B F11 2.541(7) no .
H1B H29 2.71945(12) no 2_566
H1C F8 3.260(5) no 2_566
H1C H29 3.34434(11) no 2_566
H1S C34 3.5814 no .
H1S C35 2.7847 no .
H1S C36 3.2176 no .
H1S C42 3.1486 no .
H1S C43 3.5988 no .
H1S C50 3.3612 no 2_676
H1S C52 3.5713 no 2_676
H1S H35 2.4566 no .
H1S H36 3.2447 no .
H1S H42 2.9462 no .
H1S H50A 2.4331 no 2_676
H1S H52B 2.7799 no 2_676
H1T C35 3.0566 no .
H1T C36 3.0014 no .
H1T H35 2.6448 no .
H1T H36 2.5562 no .
H1U F10 2.4748 no .
H1U C24 3.5809 no 2_566
H1U C25 3.2118 no 2_566
H1U C26 3.5145 no 2_566
H1U C28 2.9587 no 2_566
H1U C29 3.5664 no 2_566
H1U H25 3.2735 no 2_566
H1U H28 2.4292 no 2_566
H1U H29 3.5634 no 2_566
H1V F12 2.3254 no .
H1V C10 3.4099 no 2_666
H1V C11 2.8329 no 2_666
H1V C12 3.2371 no 2_666
H1V H3B 3.1626 no 2_666
H1V H4B 3.4552 no 2_666
H1V H11 2.7125 no 2_666
H1V H12 3.3614 no 2_666
H1V H69 3.5372 no 1_554
H1W F7 2.5971 no .
H1W C3 3.4573 no 2_566
H1W H2 3.2336 no 2_566
H1W H3 2.9006 no 2_566
H1W H9 3.0418 no 2_666
H1W H10 3.2618 no 2_666
H1W H31 3.5846 no .
H1X Sb1 3.5094 no .
H1X F1 2.7873 no .
H1X F4 2.3420 no .
H1X C80 3.3595 no 1_455
H1X C81 3.4168 no 1_455
H1X H80 2.8918 no 1_455
H1X H81 3.0234 no 1_455
H1Y O2 3.4631 no 2_776
H1Y C95 3.3198 no 2_776
H1Y C96 3.5664 no 2_776
H1Y H61 3.0190 no 1_654
H1Y H83 3.3580 no 2_776
H1Z Cl3C 3.0413 no 1_655
H2 Cl3C 3.182(10) no 2_566
H2 F7 3.415(6) no 2_566
H2 F8 2.690(6) no 2_566
H2 F9 3.219(7) no 2_566
H2 H1W 3.2336 no 2_566
H2S O1 2.9867 no .
H2S C42 3.1128 no .
H2S C43 2.6879 no .
H2S C44 2.9562 no .
H2S C45 3.5927 no .
H2S C47 3.4440 no .
H2S H5 3.2841 no 2_666
H2S H35 3.0248 no .
H2S H42 3.4760 no .
H2S H44 3.2464 no .
H2S H47B 2.9169 no .
H2T O1 2.8366 no .
H2T C43 3.2563 no .
H2T C47 3.1585 no .
H2T C48 3.5980 no .
H2T H6U 3.5410 no 2_776
H2T H47B 2.7529 no .
H2T H48A 3.2797 no 2_676
H2T H48B 3.0397 no .
H2T H50A 3.2500 no 2_676
H3 Cl2C 3.316(9) no 2_566
H3 F7 3.270(6) no 2_566
H3 F8 3.413(5) no 2_566
H3 C1C 3.445(17) no 2_566
H3 C30 2.886(11) no 2_566
H3 C31 3.341(10) no 2_566
H3 H1W 2.9006 no 2_566
H3 H30 2.41306(8) no 2_566
H3 H31 3.23155(13) no 2_566
H3A F11 3.318(7) no 2_666
H3B Cl3B 3.374(3) no 2_666
H3B F12 2.988(7) no 2_666
H3B H1V 3.1626 no 2_666
H3S H5S 2.9717 no 2_776
H3T C103 3.0335 no 2_776
H3T H3T 3.4100 no 2_776
H3T H5S 2.3696 no 2_776
H3T H5T 2.8214 no 2_776
H3T H6U 3.2509 no 2_776
H3T H47B 3.2616 no .
H4 Cl2A 3.424(6) no .
H4 C104 3.52(6) no 2_666
H4 C109 3.12(2) no 2_666
H4 H4S 2.9755 no 2_666
H4 H4T 3.5871 no 2_666
H4 H6S 2.8373 no 2_666
H4 H6T 3.4735 no 2_666
H4 H11S 2.6047 no 2_666
H4 H11T 2.8391 no 2_666
H4 H12T 3.1732 no 2_666
H4A Cl2A 2.9089 no 2_666
H4A F11 2.8995 no 2_666
H4B Cl2B 3.4676 no 2_666
H4B Cl3B 3.0242 no 2_666
H4B C1B 3.5342 no 2_666
H4B H1V 3.4552 no 2_666
H4S C4 3.2615 no 2_666
H4S C5 3.0677 no 2_666
H4S H4 2.9755 no 2_666
H4S H5 2.6206 no 2_666
H4T H4 3.5871 no 2_666
H5 C102 3.54(4) no 2_666
H5 C109 3.60(2) no 2_666
H5 H2S 3.2841 no 2_666
H5 H4S 2.6206 no 2_666
H5 H9S 3.5541 no 2_666
H5 H9T 3.1378 no 2_666
H5 H11S 2.9844 no 2_666
H5 H11T 3.3036 no 2_666
H5S C101 3.1082 no 2_776
H5S H3S 2.9717 no 2_776
H5S H3T 2.3696 no 2_776
H5S H5S 3.0261 no 2_776
H5S H5T 3.4036 no 2_776
H5T H3T 2.8214 no 2_776
H5T H5S 3.4036 no 2_776
H5T H49B 3.2134 no 2_776
H6S Cl2C 2.5982 no 1_655
H6S C4 3.2758 no 2_666
H6S H4 2.8373 no 2_666
H6T C50 3.2571 no 2_776
H6T C51 3.5465 no 2_776
H6T H4 3.4735 no 2_666
H6T H49B 3.1429 no 2_776
H6T H50B 2.5273 no 2_776
H6T H51B 3.0160 no 2_776
H6U Cl2C 3.1682 no 1_655
H6U C48 3.5532 no 2_776
H6U C49 3.5244 no 2_776
H6U C50 3.5362 no 2_776
H6U H2T 3.5410 no 2_776
H6U H3T 3.2509 no 2_776
H6U H48B 2.8369 no 2_776
H6U H49B 3.1107 no 2_776
H6U H50B 2.7749 no 2_776
H7T Cl2C 3.3735 no 2_676
H7T C48 3.4271 no 2_676
H7T H48A 2.4877 no 2_676
H7T H50A 3.2441 no 2_676
H8S C47 3.4641 no .
H8S H12S 2.8184 no 2_776
H8S H47B 2.8639 no .
H8S H48A 3.5642 no 2_676
H8S H48B 2.9358 no .
H8T O1 2.6076 no .
H8T C42 3.5508 no .
H8T C43 3.1102 no .
H8T C47 3.0649 no .
H8T C48 3.4477 no .
H8T H42 3.4931 no .
H8T H47B 2.7936 no .
H8T H48A 2.9560 no 2_676
H8T H48B 2.8798 no .
H8T H50A 2.8730 no 2_676
H9 Cl1C 3.148(11) no 2_666
H9 F7 2.910(5) no 2_666
H9 H1W 3.0418 no 2_666
H9S C35 3.5091 no .
H9S H5 3.5541 no 2_666
H9S H35 2.7947 no .
H9S H36 3.4203 no .
H9T O1 3.5535 no .
H9T C43 3.3059 no .
H9T C44 3.2379 no .
H9T H5 3.1378 no 2_666
H9T H44 3.2953 no .
H9T H47B 2.8995 no .
H10 Cl1C 3.346(10) no 2_666
H10 F7 2.978(6) no 2_666
H10 F9 3.218(6) no 2_666
H10 F12 2.901(6) no 2_666
H10 C68 2.985(9) no 2_667
H10 C69 3.518(8) no 2_667
H10 H1W 3.2618 no 2_666
H10 H54 3.35982(11) no 2_667
H10 H68 2.49781(8) no 2_667
H10 H69 3.47116(10) no 2_667
H10T H10T 2.7036 no 2_776
H11 Cl1B 3.082(3) no 2_666
H11 Cl3D 3.564(4) no 2_567
H11 C1B 3.314(10) no 2_666
H11 C54 3.424(11) no 2_667
H11 C68 3.327(9) no 2_667
H11 C69 3.295(8) no 2_667
H11 H1V 2.7125 no 2_666
H11 H54 2.67462(10) no 2_667
H11 H68 3.52862(15) no 2_667
H11 H69 3.46285(15) no 2_667
H11S C4 2.9919 no 2_666
H11S C5 3.1861 no 2_666
H11S H4 2.6047 no 2_666
H11S H5 2.9844 no 2_666
H11T Cl3A 3.4666 no 2_666
H11T C4 3.5370 no 2_666
H11T H4 2.8391 no 2_666
H11T H5 3.3036 no 2_666
H12 Cl1B 3.562(3) no 2_666
H12 Cl2D 3.131(2) no 2_567
H12 Cl3B 3.366(3) no 2_666
H12 H1V 3.3614 no 2_666
H12S C49 3.4163 no 2_776
H12S H8S 2.8184 no 2_776
H12S H48B 3.3967 no 2_776
H12S H49B 2.6809 no 2_776
H12S H50B 3.1315 no 2_776
H12S H51B 3.5643 no 2_776
H12T Cl2C 3.3562 no 1_655
H12T H4 3.1732 no 2_666
H12T H49B 3.5567 no 2_776
H12T H50B 2.8030 no 2_776
H12T H51B 3.5466 no 2_776
H12U Cl3A 3.3934 no 2_666
H12U C49 3.4890 no 2_776
H12U C50 3.2533 no 2_776
H12U C51 3.1604 no 2_776
H12U H49B 2.8245 no 2_776
H12U H50B 2.8053 no 2_776
H12U H51B 2.3987 no 2_776
H16 Cl3C 3.316(10) no 2_566
H16 O1W 3.246(15) no 2_666
H16 C63 3.193(11) no 2_567
H16 C64 3.398(9) no 2_567
H16 H63 3.05261(10) no 2_567
H16 H64 3.42171(11) no 2_567
H17 Cl2D 3.134(3) no 2_567
H17 F3 2.505(5) no 2_567
H17 C63 3.359(11) no 2_567
H17 C64 2.922(8) no 2_567
H17 C68 3.232(9) no 2_567
H17 C69 3.490(9) no 2_567
H17 H63 3.16129(11) no 2_567
H17 H64 2.30965(7) no 2_567
H17 H68 3.25296(14) no 2_567
H20 F3 2.627(5) no 2_567
H20 C69 2.885(8) no 2_567
H20 C70 3.011(7) no 2_567
H20 C72 3.098(8) no 2_567
H20 H69 2.79881(10) no 2_567
H20 H72 2.97028(11) no 2_567
H20 H73 3.47203(12) no .
H21 F1 3.234(6) no .
H21 F2 2.344(5) no .
H21 C72 3.476(7) no 2_567
H21 C76 3.556(8) no .
H21 H72 2.78698(11) no 2_567
H21 H76 3.55481(16) no .
H24 F2 2.770(5) no .
H24 F5 2.967(6) no .
H24 C89 3.533(9) no .
H24 C90 3.103(7) no .
H24 H89 3.39812(13) no .
H24 H90 2.60095(7) no .
H25 Cl3A 3.291(5) no 2_566
H25 C52 3.413(10) no 2_676
H25 C89 3.538(10) no .
H25 C90 3.298(8) no .
H25 H1U 3.2735 no 2_566
H25 H52A 3.53912(11) no 2_676
H25 H52C 2.53631(8) no 2_676
H25 H90 3.43109(14) no .
H28 Sb2 3.5715(6) no 2_566
H28 F8 2.757(5) no 2_566
H28 F10 2.609(6) no 2_566
H28 F11 3.447(6) no 2_566
H28 C1A 3.287(19) no 2_566
H28 H1U 2.4292 no 2_566
H29 F8 3.185(5) no 2_566
H29 F11 2.789(6) no 2_566
H29 C1X 3.320(12) no 2_566
H29 H1A 3.39010(11) no 2_566
H29 H1B 2.71945(12) no 2_566
H29 H1C 3.34434(11) no 2_566
H29 H1U 3.5634 no 2_566
H29 H29 3.41572(10) no 2_566
H29 H30 3.36586(13) no 2_566
H30 Sb2 3.5498(5) no .
H30 F7 2.868(6) no .
H30 F8 2.751(5) no .
H30 F11 3.092(7) no .
H30 C3 3.073(12) no 2_566
H30 H3 2.41306(8) no 2_566
H30 H29 3.36586(13) no 2_566
H31 F7 2.790(6) no .
H31 H1W 3.5846 no .
H31 H3 3.23155(13) no 2_566
H35 C99 2.94(2) no .
H35 C100 3.51(3) no .
H35 H1S 2.4566 no .
H35 H1T 2.6448 no .
H35 H2S 3.0248 no .
H35 H9S 2.7947 no .
H36 Cl1A 3.299(5) no 2_666
H36 Cl2A 3.257(6) no 2_666
H36 C99 3.34(3) no .
H36 H1S 3.2447 no .
H36 H1T 2.5562 no .
H36 H9S 3.4203 no .
H36 H94 2.88930(9) no .
H37 Cl2B 3.424(4) no 2_666
H37 C79 2.876(8) no .
H37 C80 2.979(8) no .
H37 C81 3.060(10) no .
H37 C82 3.043(10) no .
H37 C83 2.920(9) no .
H37 C84 2.863(9) no .
H37 H80 3.54379(14) no .
H37 H83 3.44785(11) no .
H37 H94 3.33571(12) no .
H38 Cl3B 3.283(3) no 2_666
H38 C77 3.298(8) no .
H38 C79 3.477(7) no .
H38 C92 3.390(7) no .
H38 H77 2.44380(9) no .
H42 C50 3.127(10) no 2_676
H42 C52 3.347(12) no 2_676
H42 H1S 2.9462 no .
H42 H2S 3.4760 no .
H42 H8T 3.4931 no .
H42 H50A 2.87886(9) no 2_676
H42 H50B 2.54688(7) no 2_676
H42 H52A 2.73418(10) no 2_676
H42 H52B 3.23879(14) no 2_676
H44 Cl1F 3.558(7) no .
H44 Cl3F 3.195(10) no .
H44 H2S 3.2464 no .
H44 H9T 3.2953 no .
H47A Cl1C 2.983(9) no .
H47B Cl1F 3.434(8) no .
H47B C100 3.24(3) no .
H47B C106 3.182(15) no .
H47B C107 3.52(2) no .
H47B H2S 2.9169 no .
H47B H2T 2.7529 no .
H47B H3T 3.2616 no .
H47B H8S 2.8639 no .
H47B H8T 2.7936 no .
H47B H9T 2.8995 no .
H48A C105 3.254(19) no 2_676
H48A C106 3.45(2) no 2_676
H48A H2T 3.2797 no 2_676
H48A H7T 2.4877 no 2_676
H48A H8S 3.5642 no 2_676
H48A H8T 2.9560 no 2_676
H48A H48B 2.82320(11) no 2_676
H48B O1 3.469(7) no 2_676
H48B C48 3.227(11) no 2_676
H48B C106 3.371(19) no .
H48B H2T 3.0397 no .
H48B H6U 2.8369 no 2_776
H48B H8S 2.9358 no .
H48B H8T 2.8798 no .
H48B H12S 3.3967 no 2_776
H48B H48A 2.82320(11) no 2_676
H48B H48B 2.76737(9) no 2_676
H49A C57 3.380(13) no 1_554
H49A H56 3.49512(10) no 1_554
H49A H57 2.78795(11) no 1_554
H49B Cl3E 3.167(10) no .
H49B C104 3.49(7) no 2_776
H49B C110 3.16(3) no 2_776
H49B H5T 3.2134 no 2_776
H49B H6T 3.1429 no 2_776
H49B H6U 3.1107 no 2_776
H49B H12S 2.6809 no 2_776
H49B H12T 3.5567 no 2_776
H49B H12U 2.8245 no 2_776
H50A O2 2.903(9) no 2_676
H50A C94 3.520(10) no 2_676
H50A C95 3.179(10) no 2_676
H50A C99 3.02(4) no 2_676
H50A C105 3.412(17) no 2_676
H50A C106 3.576(18) no 2_676
H50A H1S 2.4331 no 2_676
H50A H2T 3.2500 no 2_676
H50A H7T 3.2441 no 2_676
H50A H8T 2.8730 no 2_676
H50A H42 2.87886(9) no 2_676
H50A H94 3.50679(10) no 2_676
H50B O1 3.505(7) no 2_676
H50B C42 3.444(10) no 2_676
H50B C104 3.08(7) no 2_776
H50B C110 3.08(3) no 2_776
H50B H6T 2.5273 no 2_776
H50B H6U 2.7749 no 2_776
H50B H12S 3.1315 no 2_776
H50B H12T 2.8030 no 2_776
H50B H12U 2.8053 no 2_776
H50B H42 2.54688(7) no 2_676
H51A C87 2.805(9) no 2_676
H51A C88 3.356(10) no 2_676
H51A C93 3.483(9) no 2_676
H51A C94 3.328(11) no 2_676
H51A H57 3.16741(10) no 1_554
H51A H87 2.31601(10) no 2_676
H51A H88 3.33160(11) no 2_676
H51A H94 3.53327(14) no 2_676
H51B Cl2E 3.449(11) no .
H51B Cl3A 3.556(4) no 1_665
H51B Cl3E 3.211(11) no .
H51B C110 3.28(4) no 2_776
H51B H6T 3.0160 no 2_776
H51B H12S 3.5643 no 2_776
H51B H12T 3.5466 no 2_776
H51B H12U 2.3987 no 2_776
H51B H87 3.52676(12) no 2_676
H51B H88 3.55328(15) no 2_676
H52A Cl3A 3.110(5) no 1_665
H52A C27 3.489(8) no 2_676
H52A C32 3.399(8) no 2_676
H52A C33 3.170(9) no 2_676
H52A C34 3.114(10) no 2_676
H52A C39 3.207(9) no 2_676
H52A C40 3.363(8) no 2_676
H52A C42 3.546(9) no 2_676
H52A H25 3.53912(11) no 2_676
H52A H42 2.73418(10) no 2_676
H52B C34 2.977(8) no 2_676
H52B C35 3.162(10) no 2_676
H52B C36 3.451(10) no 2_676
H52B C37 3.557(10) no 2_676
H52B C38 3.378(9) no 2_676
H52B C39 3.093(7) no 2_676
H52B C94 3.042(9) no 2_676
H52B H1S 2.7799 no 2_676
H52B H42 3.23879(14) no 2_676
H52B H94 2.54447(10) no 2_676
H52C Cl3A 3.320(5) no 1_665
H52C C25 3.393(8) no 2_676
H52C C38 3.568(10) no 2_676
H52C C39 3.275(8) no 2_676
H52C C40 3.466(8) no 2_676
H52C C86 3.421(8) no 2_676
H52C C87 3.231(9) no 2_676
H52C C88 3.472(10) no 2_676
H52C H25 2.53631(8) no 2_676
H52C H87 3.46326(11) no 2_676
H54 Cl3D 2.994(4) no 1_655
H54 C10 3.398(9) no 2_667
H54 C11 3.031(10) no 2_667
H54 H10 3.35982(11) no 2_667
H54 H11 2.67462(10) no 2_667
H55 Cl3F 2.973(10) no 1_556
H55 O1W 3.164(15) no 1_556
H55 C11 3.544(8) no 2_667
H56 Cl2F 3.351(17) no 1_556
H56 Cl3E 3.018(9) no 1_556
H56 Cl3F 3.222(11) no 1_556
H56 O4W 3.25(2) no 1_556
H56 H49A 3.49512(10) no 1_556
H57 H49A 2.78795(11) no 1_556
H57 H51A 3.16741(10) no 1_556
H61 Cl1E 3.199(10) no 1_456
H61 Cl2F 3.514(17) no 1_456
H61 O2W 3.05(2) no 1_456
H61 O4W 3.50(3) no 1_456
H61 C1E 3.54(2) no 1_456
H61 H1Y 3.0190 no 1_456
H62 Cl1E 3.451(9) no 1_456
H62 Cl2F 3.503(16) no 1_456
H62 O4W 3.12(3) no 1_456
H63 F4 2.786(6) no .
H63 H16 3.05261(10) no 2_567
H63 H17 3.16129(11) no 2_567
H64 Sb1 3.4748(5) no .
H64 F3 2.466(4) no .
H64 F4 3.305(6) no .
H64 F6 2.828(5) no .
H64 C17 3.187(7) no 2_567
H64 H16 3.42171(11) no 2_567
H64 H17 2.30965(7) no 2_567
H68 Cl3C 3.254(11) no 1_556
H68 F9 2.682(6) no 1_556
H68 C10 3.363(10) no 2_667
H68 C17 3.483(8) no 2_567
H68 H10 2.49781(8) no 2_667
H68 H11 3.52862(15) no 2_667
H68 H17 3.25296(14) no 2_567
H69 F9 2.555(6) no 1_556
H69 F12 3.357(7) no 1_556
H69 C18 3.380(8) no 2_567
H69 C20 2.909(8) no 2_567
H69 C21 3.394(7) no 2_567
H69 H1V 3.5372 no 1_556
H69 H10 3.47116(10) no 2_667
H69 H11 3.46285(15) no 2_667
H69 H20 2.79881(10) no 2_567
H72 Cl1B 3.358(4) no 1_556
H72 F1 2.754(5) no 2_567
H72 C20 3.379(9) no 2_567
H72 C21 3.283(8) no 2_567
H72 H20 2.97028(11) no 2_567
H72 H21 2.78698(11) no 2_567
H73 Cl1D 3.354(3) no 2_567
H73 Cl2D 3.232(3) no 2_567
H73 F1 2.657(5) no 2_567
H73 H20 3.47203(12) no .
H76 Cl1B 3.581(4) no 2_666
H76 Cl2D 3.378(3) no 2_567
H76 Cl3B 3.563(3) no 2_666
H76 C18 3.583(7) no .
H76 C20 3.308(8) no .
H76 C21 3.215(8) no .
H76 C23 3.416(9) no .
H76 H21 3.55481(16) no .
H77 Cl3B 3.088(3) no 2_666
H77 C23 3.458(8) no .
H77 C24 3.432(9) no .
H77 C25 3.528(9) no .
H77 C38 3.363(8) no .
H77 H38 2.44380(9) no .
H80 Cl1D 3.095(3) no 1_655
H80 C1D 3.324(9) no 1_655
H80 H1X 2.8918 no 1_655
H80 H37 3.54379(14) no .
H81 Sb1 3.5007(6) no 1_655
H81 Cl2B 3.422(5) no 2_666
H81 F1 3.022(6) no 1_655
H81 F4 3.134(6) no 1_655
H81 F5 2.471(5) no 1_655
H81 H1X 3.0234 no 1_655
H82 Cl1A 3.309(5) no 2_666
H82 Cl1E 3.496(8) no 2_776
H82 Cl2E 3.497(10) no 2_776
H82 F5 2.903(6) no 1_655
H82 H89 3.18109(15) no 1_655
H83 Cl1E 3.090(8) no 2_776
H83 Cl2E 3.486(10) no 2_776
H83 O3W 3.06(2) no 2_776
H83 O5W 3.481(17) no 1_556
H83 C1E 3.47(2) no 2_776
H83 H1Y 3.3580 no 2_776
H83 H37 3.44785(11) no .
H87 C51 3.215(11) no 2_676
H87 H51A 2.31601(10) no 2_676
H87 H51B 3.52676(12) no 2_676
H87 H52C 3.46326(11) no 2_676
H88 Cl1E 3.148(10) no 2_676
H88 Cl2E 3.434(10) no 2_676
H88 Cl3E 3.483(11) no 2_676
H88 O4W 2.90(3) no 2_676
H88 C1E 3.56(3) no 2_676
H88 H51A 3.33160(11) no 2_676
H88 H51B 3.55328(15) no 2_676
H89 F5 2.463(5) no .
H89 F6 3.252(5) no .
H89 H24 3.39812(13) no .
H89 H82 3.18109(15) no 1_455
H90 Sb1 3.4352(6) no .
H90 F2 2.610(5) no .
H90 F5 2.996(5) no .
H90 F6 2.770(5) no .
H90 C24 3.213(7) no .
H90 H24 2.60095(7) no .
H90 H25 3.43109(14) no .
H94 O3W 3.41(2) no 2_776
H94 C35 3.452(8) no .
H94 C36 2.894(9) no .
H94 C37 3.172(9) no .
H94 C52 3.424(13) no 2_676
H94 H36 2.88930(9) no .
H94 H37 3.33571(12) no .
H94 H50A 3.50679(10) no 2_676
H94 H51A 3.53327(14) no 2_676
H94 H52B 2.54447(10) no 2_676
H96 Cl1C 3.542(11) no 2_676
H96 O2W 3.29(2) no 2_776
H98 O5W 3.246(19) no 1_556
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_publ_flag
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
O1X Ag1 N96 C15 -16.6(6) no . . .
O1X Ag1 N96 C19 163.8(4) no . . .
N96 Ag1 O1X C2X 133.4(4) no . . .
N96 Ag1 O1X C3X -80.8(5) no . . .
O1X Ag1 N97 C22 -151.8(5) no . . .
O1X Ag1 N97 C26 30.7(9) no . . .
N97 Ag1 O1X C2X -85.7(6) no . . .
N97 Ag1 O1X C3X 60.1(8) no . . .
N96 Ag1 N97 C22 -2.0(4) no . . .
N96 Ag1 N97 C26 -179.5(5) no . . .
N97 Ag1 N96 C15 -178.7(6) no . . .
N97 Ag1 N96 C19 1.7(4) no . . .
O1Y Ag2 N54 C67 11.1(10) no . . .
O1Y Ag2 N54 C71 -171.5(7) no . . .
O1Y Ag2 N55 C74 172.0(8) no . . .
O1Y Ag2 N55 C78 -11.3(10) no . . .
N54 Ag2 N55 C74 4.7(4) no . . .
N54 Ag2 N55 C78 -178.6(6) no . . .
N55 Ag2 N54 C67 179.3(6) no . . .
N55 Ag2 N54 C71 -3.3(4) no . . .
Ag1 O1X C2X C1X -41.4(10) no . . .
Ag1 O1X C3X C4X -70.6(8) no . . .
C2X O1X C3X C4X 74.4(11) no . . .
C3X O1X C2X C1X 173.3(8) no . . .
C43 O1 C47 C48 179.7(7) no . . .
C47 O1 C43 C42 177.3(7) no . . .
C47 O1 C43 C44 -2.1(12) no . . .
C95 O2 C99 C100 174.1(13) no . . .
C99 O2 C95 C94 3(3) no . . .
C99 O2 C95 C96 -177(2) no . . .
C95 O2 C105 C106 -165.7(10) no . . .
C105 O2 C95 C94 -179.8(12) no . . .
C105 O2 C95 C96 -0.0(18) no . . .
C99 O2 C105 C106 12.5(19) no . . .
C105 O2 C99 C100 -4(2) no . . .
Ag2 N54 C67 C66 -3.3(10) no . . .
Ag2 N54 C67 C68 179.7(5) no . . .
Ag2 N54 C71 C70 -176.7(5) no . . .
Ag2 N54 C71 C74 1.6(8) no . . .
C67 N54 C71 C70 0.9(11) no . . .
C67 N54 C71 C74 179.2(6) no . . .
C71 N54 C67 C66 179.4(6) no . . .
C71 N54 C67 C68 2.4(12) no . . .
Ag2 N55 C74 C71 -5.6(8) no . . .
Ag2 N55 C74 C75 173.9(5) no . . .
Ag2 N55 C78 C77 -173.4(4) no . . .
Ag2 N55 C78 C92 6.7(10) no . . .
C74 N55 C78 C77 3.2(11) no . . .
C74 N55 C78 C92 -176.7(6) no . . .
C78 N55 C74 C71 177.5(6) no . . .
C78 N55 C74 C75 -3.0(11) no . . .
Ag1 N96 C15 C14 5.4(10) no . . .
Ag1 N96 C15 C16 -176.9(4) no . . .
Ag1 N96 C19 C18 179.8(4) no . . .
Ag1 N96 C19 C22 -1.3(8) no . . .
C15 N96 C19 C18 0.2(11) no . . .
C15 N96 C19 C22 179.1(7) no . . .
C19 N96 C15 C14 -175.0(6) no . . .
C19 N96 C15 C16 2.7(11) no . . .
Ag1 N97 C22 C19 2.0(9) no . . .
Ag1 N97 C22 C23 -177.1(5) no . . .
Ag1 N97 C26 C25 178.3(5) no . . .
Ag1 N97 C26 C40 -3.2(10) no . . .
C22 N97 C26 C25 0.9(12) no . . .
C22 N97 C26 C40 179.4(6) no . . .
C26 N97 C22 C19 179.7(7) no . . .
C26 N97 C22 C23 0.6(11) no . . .
C2 C1 C6 C5 -1.2(10) no . . .
C2 C1 C6 C7 -180.0(6) no . . .
C6 C1 C2 C3 0.5(11) no . . .
C2 C1 C14 C13 179.2(6) no . . .
C2 C1 C14 C15 -5.5(11) no . . .
C14 C1 C2 C3 -177.8(7) no . . .
C6 C1 C14 C13 0.9(11) no . . .
C6 C1 C14 C15 176.3(6) no . . .
C14 C1 C6 C5 177.2(6) no . . .
C14 C1 C6 C7 -1.6(10) no . . .
C1 C2 C3 C4 1.4(13) no . . .
C2 C3 C4 C5 -2.6(14) no . . .
C3 C4 C5 C6 2.0(13) no . . .
C4 C5 C6 C1 -0.1(12) no . . .
C4 C5 C6 C7 178.7(7) no . . .
C1 C6 C7 C8 0.8(10) no . . .
C1 C6 C7 C45 176.4(6) no . . 2_666
C5 C6 C7 C8 -178.0(6) no . . .
C5 C6 C7 C45 -2.4(11) no . . 2_666
C6 C7 C8 C9 -178.6(6) no . . .
C6 C7 C8 C13 0.7(10) no . . .
C6 C7 C45 C44 -101.0(9) no . 2_666 2_666
C6 C7 C45 C46 82.5(9) no . 2_666 2_666
C8 C7 C45 C44 74.8(8) no . 2_666 2_666
C8 C7 C45 C46 -101.7(9) no . 2_666 2_666
C45 C7 C8 C9 5.7(10) no 2_666 . .
C45 C7 C8 C13 -175.0(5) no 2_666 . .
C7 C8 C9 C10 -179.5(6) no . . .
C7 C8 C13 C12 179.4(6) no . . .
C7 C8 C13 C14 -1.4(10) no . . .
C9 C8 C13 C12 -1.3(10) no . . .
C9 C8 C13 C14 177.9(6) no . . .
C13 C8 C9 C10 1.2(10) no . . .
C8 C9 C10 C11 0.8(12) no . . .
C9 C10 C11 C12 -2.7(12) no . . .
C10 C11 C12 C13 2.5(12) no . . .
C11 C12 C13 C8 -0.5(11) no . . .
C11 C12 C13 C14 -179.7(7) no . . .
C8 C13 C14 C1 0.6(10) no . . .
C8 C13 C14 C15 -174.8(6) no . . .
C12 C13 C14 C1 179.8(6) no . . .
C12 C13 C14 C15 4.3(10) no . . .
C1 C14 C15 N96 -81.6(9) no . . .
C1 C14 C15 C16 100.8(9) no . . .
C13 C14 C15 N96 93.9(9) no . . .
C13 C14 C15 C16 -83.7(9) no . . .
N96 C15 C16 C17 -3.5(12) no . . .
C14 C15 C16 C17 174.0(7) no . . .
C15 C16 C17 C18 1.3(12) no . . .
C16 C17 C18 C19 1.5(11) no . . .
C16 C17 C18 C20 -179.8(7) no . . .
C17 C18 C19 N96 -2.3(11) no . . .
C17 C18 C19 C22 178.9(6) no . . .
C17 C18 C20 C21 -177.7(7) no . . .
C19 C18 C20 C21 0.9(11) no . . .
C20 C18 C19 N96 178.9(6) no . . .
C20 C18 C19 C22 0.1(11) no . . .
N96 C19 C22 N97 -0.4(11) no . . .
N96 C19 C22 C23 178.7(6) no . . .
C18 C19 C22 N97 178.4(6) no . . .
C18 C19 C22 C23 -2.5(11) no . . .
C18 C20 C21 C23 0.5(12) no . . .
C20 C21 C23 C22 -2.9(11) no . . .
C20 C21 C23 C24 -179.5(7) no . . .
N97 C22 C23 C21 -177.1(6) no . . .
N97 C22 C23 C24 -0.2(11) no . . .
C19 C22 C23 C21 3.8(11) no . . .
C19 C22 C23 C24 -179.3(6) no . . .
C21 C23 C24 C25 175.0(7) no . . .
C22 C23 C24 C25 -1.7(12) no . . .
C23 C24 C25 C26 3.1(13) no . . .
C24 C25 C26 N97 -2.8(13) no . . .
C24 C25 C26 C40 178.8(7) no . . .
N97 C26 C40 C27 76.7(10) no . . .
N97 C26 C40 C39 -102.0(8) no . . .
C25 C26 C40 C27 -104.8(9) no . . .
C25 C26 C40 C39 76.5(12) no . . .
C28 C27 C32 C31 -1.8(12) no . . .
C28 C27 C32 C33 179.3(8) no . . .
C32 C27 C28 C29 1.9(13) no . . .
C28 C27 C40 C26 -1.4(13) no . . .
C28 C27 C40 C39 177.3(8) no . . .
C40 C27 C28 C29 -178.4(8) no . . .
C32 C27 C40 C26 178.4(7) no . . .
C32 C27 C40 C39 -3.0(13) no . . .
C40 C27 C32 C31 178.5(7) no . . .
C40 C27 C32 C33 -0.5(13) no . . .
C27 C28 C29 C30 -0.3(15) no . . .
C28 C29 C30 C31 -1.5(15) no . . .
C29 C30 C31 C32 1.5(16) no . . .
C30 C31 C32 C27 0.1(14) no . . .
C30 C31 C32 C33 179.0(9) no . . .
C27 C32 C33 C34 4.3(13) no . . .
C27 C32 C33 C41 -173.0(7) no . . .
C31 C32 C33 C34 -174.6(8) no . . .
C31 C32 C33 C41 8.1(14) no . . .
C32 C33 C34 C35 175.0(8) no . . .
C32 C33 C34 C39 -4.6(13) no . . .
C32 C33 C41 C42 92.3(9) no . . .
C32 C33 C41 C46 -90.2(11) no . . .
C34 C33 C41 C42 -85.0(11) no . . .
C34 C33 C41 C46 92.4(9) no . . .
C41 C33 C34 C35 -7.7(13) no . . .
C41 C33 C34 C39 172.7(7) no . . .
C33 C34 C35 C36 -178.3(8) no . . .
C33 C34 C39 C38 179.1(7) no . . .
C33 C34 C39 C40 1.1(12) no . . .
C35 C34 C39 C38 -0.6(11) no . . .
C35 C34 C39 C40 -178.5(7) no . . .
C39 C34 C35 C36 1.3(13) no . . .
C34 C35 C36 C37 -1.2(14) no . . .
C35 C36 C37 C38 0.3(14) no . . .
C36 C37 C38 C39 0.4(13) no . . .
C37 C38 C39 C34 -0.2(12) no . . .
C37 C38 C39 C40 177.6(8) no . . .
C34 C39 C40 C26 -178.7(7) no . . .
C34 C39 C40 C27 2.7(12) no . . .
C38 C39 C40 C26 3.5(12) no . . .
C38 C39 C40 C27 -175.1(7) no . . .
C33 C41 C42 C43 178.1(7) no . . .
C33 C41 C46 C45 -177.6(7) no . . .
C42 C41 C46 C45 -0.2(12) no . . .
C46 C41 C42 C43 0.6(13) no . . .
C41 C42 C43 O1 179.8(8) no . . .
C41 C42 C43 C44 -0.8(14) no . . .
O1 C43 C44 C45 179.9(7) no . . .
C42 C43 C44 C45 0.5(13) no . . .
C43 C44 C45 C7 176.6(7) no . . 2_666
C43 C44 C45 C46 -0.1(12) no . . .
C7 C45 C46 C41 -176.6(7) no 2_666 . .
C44 C45 C46 C41 -0.1(12) no . . .
O1 C47 C48 C49 -174.9(7) no . . .
C47 C48 C49 C50 -173.8(8) no . . .
C48 C49 C50 C51 -177.1(8) no . . .
C49 C50 C51 C52 175.2(9) no . . .
C54 C53 C58 C57 1.2(14) no . . .
C54 C53 C58 C59 -178.3(9) no . . .
C58 C53 C54 C55 3.0(16) no . . .
C54 C53 C66 C65 179.5(9) no . . .
C54 C53 C66 C67 1.0(14) no . . .
C66 C53 C54 C55 -175.8(9) no . . .
C58 C53 C66 C65 0.7(13) no . . .
C58 C53 C66 C67 -177.8(7) no . . .
C66 C53 C58 C57 -180.0(8) no . . .
C66 C53 C58 C59 0.6(14) no . . .
C53 C54 C55 C56 -6(2) no . . .
C54 C55 C56 C57 4(3) no . . .
C55 C56 C57 C58 0(3) no . . .
C56 C57 C58 C53 -3(2) no . . .
C56 C57 C58 C59 176.8(13) no . . .
C53 C58 C59 C60 -0.5(14) no . . .
C53 C58 C59 C97 178.6(8) no . . 2_677
C57 C58 C59 C60 -180.0(9) no . . .
C57 C58 C59 C97 -0.9(15) no . . 2_677
C58 C59 C60 C61 179.7(8) no . . .
C58 C59 C60 C65 -0.8(13) no . . .
C58 C59 C97 C96 -95.5(10) no . 2_677 2_677
C58 C59 C97 C98 84.3(11) no . 2_677 2_677
C60 C59 C97 C96 83.6(10) no . 2_677 2_677
C60 C59 C97 C98 -96.6(10) no . 2_677 2_677
C97 C59 C60 C61 0.7(12) no 2_677 . .
C97 C59 C60 C65 -179.9(7) no 2_677 . .
C59 C60 C61 C62 -179.4(8) no . . .
C59 C60 C65 C64 -179.0(7) no . . .
C59 C60 C65 C66 2.0(11) no . . .
C61 C60 C65 C64 0.5(12) no . . .
C61 C60 C65 C66 -178.5(7) no . . .
C65 C60 C61 C62 1.1(14) no . . .
C60 C61 C62 C63 -1.2(18) no . . .
C61 C62 C63 C64 -0.4(17) no . . .
C62 C63 C64 C65 2.0(15) no . . .
C63 C64 C65 C60 -2.1(13) no . . .
C63 C64 C65 C66 176.9(8) no . . .
C60 C65 C66 C53 -2.0(11) no . . .
C60 C65 C66 C67 176.5(6) no . . .
C64 C65 C66 C53 179.1(7) no . . .
C64 C65 C66 C67 -2.4(11) no . . .
C53 C66 C67 N54 -85.6(10) no . . .
C53 C66 C67 C68 91.5(9) no . . .
C65 C66 C67 N54 95.9(9) no . . .
C65 C66 C67 C68 -87.0(9) no . . .
N54 C67 C68 C69 -2.3(13) no . . .
C66 C67 C68 C69 -179.3(7) no . . .
C67 C68 C69 C70 -1.0(12) no . . .
C68 C69 C70 C71 3.9(11) no . . .
C68 C69 C70 C72 -177.0(7) no . . .
C69 C70 C71 N54 -4.0(11) no . . .
C69 C70 C71 C74 177.6(6) no . . .
C69 C70 C72 C73 -179.2(7) no . . .
C71 C70 C72 C73 -0.2(12) no . . .
C72 C70 C71 N54 176.9(7) no . . .
C72 C70 C71 C74 -1.4(11) no . . .
N54 C71 C74 N55 2.8(11) no . . .
N54 C71 C74 C75 -176.7(6) no . . .
C70 C71 C74 N55 -178.9(6) no . . .
C70 C71 C74 C75 1.6(11) no . . .
C70 C72 C73 C75 1.7(13) no . . .
C72 C73 C75 C74 -1.5(12) no . . .
C72 C73 C75 C76 177.6(7) no . . .
N55 C74 C75 C73 -179.7(6) no . . .
N55 C74 C75 C76 1.1(11) no . . .
C71 C74 C75 C73 -0.2(12) no . . .
C71 C74 C75 C76 -179.4(7) no . . .
C73 C75 C76 C77 -178.5(7) no . . .
C74 C75 C76 C77 0.6(12) no . . .
C75 C76 C77 C78 -0.5(13) no . . .
C76 C77 C78 N55 -1.4(13) no . . .
C76 C77 C78 C92 178.4(7) no . . .
N55 C78 C92 C79 107.8(8) no . . .
N55 C78 C92 C91 -71.2(9) no . . .
C77 C78 C92 C79 -72.1(10) no . . .
C77 C78 C92 C91 108.9(9) no . . .
C80 C79 C84 C83 0.5(10) no . . .
C80 C79 C84 C85 178.3(6) no . . .
C84 C79 C80 C81 -0.4(11) no . . .
C80 C79 C92 C78 1.7(11) no . . .
C80 C79 C92 C91 -179.3(6) no . . .
C92 C79 C80 C81 179.5(7) no . . .
C84 C79 C92 C78 -178.4(6) no . . .
C84 C79 C92 C91 0.6(10) no . . .
C92 C79 C84 C83 -179.3(6) no . . .
C92 C79 C84 C85 -1.6(11) no . . .
C79 C80 C81 C82 1.1(13) no . . .
C80 C81 C82 C83 -2.0(14) no . . .
C81 C82 C83 C84 2.3(14) no . . .
C82 C83 C84 C79 -1.5(13) no . . .
C82 C83 C84 C85 -179.2(8) no . . .
C79 C84 C85 C86 2.3(11) no . . .
C79 C84 C85 C93 -174.8(6) no . . .
C83 C84 C85 C86 179.9(7) no . . .
C83 C84 C85 C93 2.8(12) no . . .
C84 C85 C86 C87 177.6(7) no . . .
C84 C85 C86 C91 -1.9(11) no . . .
C84 C85 C93 C94 72.3(10) no . . .
C84 C85 C93 C98 -112.7(9) no . . .
C86 C85 C93 C94 -104.9(10) no . . .
C86 C85 C93 C98 70.1(10) no . . .
C93 C85 C86 C87 -5.4(11) no . . .
C93 C85 C86 C91 175.1(6) no . . .
C85 C86 C87 C88 178.9(7) no . . .
C85 C86 C91 C90 -179.1(6) no . . .
C85 C86 C91 C92 0.9(11) no . . .
C87 C86 C91 C90 1.4(10) no . . .
C87 C86 C91 C92 -178.6(6) no . . .
C91 C86 C87 C88 -1.6(12) no . . .
C86 C87 C88 C89 0.1(14) no . . .
C87 C88 C89 C90 1.6(14) no . . .
C88 C89 C90 C91 -1.8(13) no . . .
C89 C90 C91 C86 0.3(11) no . . .
C89 C90 C91 C92 -179.7(7) no . . .
C86 C91 C92 C78 178.7(6) no . . .
C86 C91 C92 C79 -0.3(10) no . . .
C90 C91 C92 C78 -1.3(11) no . . .
C90 C91 C92 C79 179.7(6) no . . .
C85 C93 C94 C95 175.3(8) no . . .
C85 C93 C98 C97 -174.8(7) no . . .
C94 C93 C98 C97 0.3(13) no . . .
C98 C93 C94 C95 0.1(14) no . . .
C93 C94 C95 O2 179.3(9) no . . .
C93 C94 C95 C96 -0.5(15) no . . .
O2 C95 C96 C97 -179.3(9) no . . .
C94 C95 C96 C97 0.5(15) no . . .
C95 C96 C97 C59 -180.0(8) no . . 2_677
C95 C96 C97 C98 -0.1(15) no . . .
C59 C97 C98 C93 179.5(8) no 2_677 . .
C96 C97 C98 C93 -0.3(14) no . . .
O2 C99 C100 C101 71(4) no . . .
C99 C100 C101 C102 79(3) no . . .
C100 C101 C102 C103 170(3) no . . .
C101 C102 C103 C104 -177(4) no . . .
O2 C105 C106 C107 -58.7(17) no . . .
C105 C106 C107 C108 -63.1(18) no . . .
C106 C107 C108 C109 -176.2(13) no . . .
C107 C108 C109 C110 180.0(17) no . . .
