#------------------------------------------------------------------------------
#$Date: 2019-02-09 01:30:03 +0200 (Sat, 09 Feb 2019) $
#$Revision: 213565 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/05/1550581.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_1550581
loop_
_publ_author_name
'houlton, andrew'
'Mistry, Liam'
'El-Zubir, Osama'
'Horrocks, Ben R.'
'Dura, Gema'
'Clegg, William'
'Waddell, Paul G.'
'Hofer, Werner'
'pope, thomas'
'Wright, Nicholas'
_publ_section_title
;
 Addressing the Properties of “Metallo-DNA” with a
 Ag(I)-Mediated Supramolecular Duplex
;
_journal_name_full               'Chemical Science'
_journal_paper_doi               10.1039/C8SC05103H
_journal_year                    2019
_chemical_absolute_configuration ad
_chemical_formula_moiety         'C18 H26 Ag N6 O10 +,N O3 -'
_chemical_formula_sum            'C18 H26 Ag N7 O13'
_chemical_formula_weight         656.33
_chemical_properties_physical    Air-sensitive,Light-sensitive
_space_group_crystal_system      trigonal
_space_group_IT_number           145
_space_group_name_Hall           'P 32'
_space_group_name_H-M_alt        'P 32'
_symmetry_space_group_name_Hall  'P 32'
_symmetry_space_group_name_H-M   'P 32'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2018-08-10 deposited with the CCDC.
2019-02-08 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            15
_cell_length_a                   30.382(7)
_cell_length_b                   30.382(7)
_cell_length_c                   14.976(3)
_cell_measurement_reflns_used    9382
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      23.43
_cell_measurement_theta_min      2.25
_cell_volume                     11972(5)
_computing_cell_refinement       'Bruker APEX3'
_computing_data_collection       'Diamond GDA'
_computing_data_reduction        'Bruker APEX3'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'SHELXL and local programs'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 5.814
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type
'fixed-χ diffractometer with Pilatus 2M detector'
_diffrn_measurement_method       'narrow-frame ω and φ scans'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.6889
_diffrn_reflns_av_R_equivalents  0.0718
_diffrn_reflns_av_unetI/netI     0.0790
_diffrn_reflns_Laue_measured_fraction_full 0.987
_diffrn_reflns_Laue_measured_fraction_max 0.987
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_k_min       -35
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            93293
_diffrn_reflns_point_group_measured_fraction_full 0.957
_diffrn_reflns_point_group_measured_fraction_max 0.957
_diffrn_reflns_theta_full        24.146
_diffrn_reflns_theta_max         24.146
_diffrn_reflns_theta_min         0.750
_diffrn_source                   'Diamond beamline I19'
_exptl_absorpt_coefficient_mu    0.644
_exptl_absorpt_correction_T_max  0.990
_exptl_absorpt_correction_T_min  0.860
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2014/5'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.366
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             5010
_exptl_crystal_preparation       'Electrical insulator'
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: Water and acetonitrile'
_exptl_crystal_size_max          0.194
_exptl_crystal_size_mid          0.016
_exptl_crystal_size_min          0.014
_refine_diff_density_max         1.533
_refine_diff_density_min         -0.664
_refine_diff_density_rms         0.090
_refine_ls_abs_structure_details
;
 Flack x determined using 4603 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.08(4)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.955
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1576
_refine_ls_number_reflns         26785
_refine_ls_number_restraints     4509
_refine_ls_restrained_S_all      0.959
_refine_ls_R_factor_all          0.1248
_refine_ls_R_factor_gt           0.0904
_refine_ls_shift/su_max          0.017
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1772P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2500
_refine_ls_wR_factor_ref         0.2777
_reflns_Friedel_coverage         0.939
_reflns_Friedel_fraction_full    0.927
_reflns_Friedel_fraction_max     0.927
_reflns_number_gt                14630
_reflns_number_total             26785
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8sc05103h2.cif
_cod_data_source_block           aho170073
_cod_original_cell_volume        11972(6)
_cod_database_code               1550581
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.885
_shelx_estimated_absorpt_t_max   0.991
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z+2/3'
'-x+y, -x, z+1/3'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
Ag1 Ag 0.40643(5) 0.40234(5) 0.23730(8) 0.0772(4) Uani 1 1 d . .
Ag2 Ag 0.39046(6) 0.40254(6) 0.43603(9) 0.0969(4) Uani 1 1 d . .
Ag3 Ag 0.40532(8) 0.40377(7) 0.63303(11) 0.1176(6) Uani 1 1 d . .
Ag4 Ag 0.39217(7) 0.39650(7) 0.83188(9) 0.1037(5) Uani 1 1 d . .
Ag5 Ag 0.40350(6) 0.40888(5) 1.03400(9) 0.0817(4) Uani 1 1 d . .
N1 N 0.2479(4) 0.3195(5) 0.2886(11) 0.124(4) Uani 1 1 d D U
C2 C 0.2995(5) 0.3546(5) 0.2842(11) 0.105(4) Uani 1 1 d D U
O2 O 0.3160(4) 0.3956(4) 0.3248(7) 0.104(3) Uani 1 1 d D U
N3 N 0.3307(4) 0.3456(4) 0.2337(7) 0.086(3) Uani 1 1 d D U
C4 C 0.3108(5) 0.2998(5) 0.1923(11) 0.108(4) Uani 1 1 d D U
N4 N 0.3427(5) 0.2899(5) 0.1467(9) 0.105(4) Uani 1 1 d D U
H41 H 0.375277 0.312689 0.144505 0.126 Uiso 1 1 calc R U
H42 H 0.331136 0.260660 0.119001 0.126 Uiso 1 1 calc R U
C5 C 0.2586(5) 0.2637(7) 0.1941(14) 0.136(6) Uani 1 1 d D U
H5 H 0.244258 0.234069 0.157873 0.163 Uiso 1 1 calc R U
C6 C 0.2301(6) 0.2738(6) 0.2509(15) 0.149(6) Uani 1 1 d D U
H6 H 0.196491 0.247679 0.264281 0.178 Uiso 1 1 calc R U
C1' C 0.2169(6) 0.3323(6) 0.3474(13) 0.169(5) Uani 1 1 d D U
H1' H 0.235635 0.346643 0.404517 0.203 Uiso 1 1 calc R U
O1' O 0.1723(6) 0.2883(6) 0.3656(13) 0.198(6) Uani 1 1 d D U
C2' C 0.2036(6) 0.3716(6) 0.3043(14) 0.174(6) Uani 1 1 d D U
H2'J H 0.228102 0.390734 0.255096 0.209 Uiso 1 1 calc R U
O2' O 0.2024(7) 0.4053(7) 0.3652(15) 0.207(8) Uani 1 1 d D U
H2' H 0.193932 0.424398 0.338811 0.248 Uiso 1 1 d R U
C3' C 0.1548(7) 0.3378(7) 0.2682(14) 0.200(7) Uani 1 1 d D U
H3'J H 0.157668 0.324353 0.208908 0.240 Uiso 1 1 calc R U
O3' O 0.1222(7) 0.3618(9) 0.2618(16) 0.227(8) Uani 1 1 d D U
H3' H 0.136861 0.386705 0.227125 0.272 Uiso 1 1 d R U
C4' C 0.1290(7) 0.2958(8) 0.3350(17) 0.218(7) Uani 1 1 d D U
H4' H 0.117814 0.308677 0.386606 0.261 Uiso 1 1 calc R U
C5' C 0.0859(8) 0.2477(10) 0.305(2) 0.254(11) Uani 1 1 d D U
H5'1 H 0.078178 0.221125 0.350629 0.304 Uiso 1 1 calc R U
H5'2 H 0.055632 0.251543 0.298380 0.304 Uiso 1 1 calc R U
O5' O 0.0969(12) 0.2327(12) 0.223(2) 0.318(15) Uani 1 1 d D U
H5' H 0.121471 0.227999 0.232834 0.381 Uiso 1 1 d R U
N1A N 0.5371(4) 0.5453(4) 0.1762(9) 0.102(3) Uani 1 1 d D U
C2A C 0.4885(4) 0.5050(4) 0.1883(10) 0.085(3) Uani 1 1 d D U
O2A O 0.4521(4) 0.5045(4) 0.1508(7) 0.094(3) Uani 1 1 d D U
N3A N 0.4812(4) 0.4647(4) 0.2371(7) 0.081(3) Uani 1 1 d D U
C4A C 0.5212(4) 0.4660(5) 0.2790(9) 0.085(3) Uani 1 1 d D U
N4A N 0.5123(5) 0.4259(5) 0.3286(8) 0.094(4) Uani 1 1 d D U
H4A1 H 0.481248 0.399883 0.333137 0.113 Uiso 1 1 calc R U
H4A2 H 0.537522 0.425437 0.356721 0.113 Uiso 1 1 calc R U
C5A C 0.5710(5) 0.5079(5) 0.2717(11) 0.097(4) Uani 1 1 d D U
H5A H 0.598911 0.508947 0.302139 0.116 Uiso 1 1 calc R U
C6A C 0.5764(5) 0.5459(5) 0.2193(11) 0.104(4) Uani 1 1 d D U
H6A H 0.609370 0.574665 0.212148 0.125 Uiso 1 1 calc R U
C1'A C 0.5459(6) 0.5892(5) 0.1211(10) 0.128(4) Uani 1 1 d D U
H1'A H 0.514405 0.581358 0.087301 0.153 Uiso 1 1 calc R U
O1'A O 0.5852(5) 0.6001(4) 0.0629(10) 0.142(4) Uani 1 1 d D U
C2'A C 0.5649(7) 0.6391(5) 0.1777(11) 0.146(5) Uani 1 1 d D U
H2'K H 0.589142 0.640526 0.224245 0.175 Uiso 1 1 calc R U
O2'A O 0.5249(7) 0.6404(5) 0.2192(14) 0.186(7) Uani 1 1 d D U
H2'A H 0.536146 0.667775 0.247703 0.223 Uiso 1 1 d R U
C3'A C 0.5923(6) 0.6772(6) 0.1124(12) 0.157(5) Uani 1 1 d D U
H3'K H 0.619599 0.708542 0.141899 0.188 Uiso 1 1 calc R U
O3'A O 0.5590(7) 0.6898(8) 0.0583(15) 0.207(8) Uani 1 1 d D U
H3'A H 0.545171 0.701456 0.091844 0.249 Uiso 1 1 d R U
C4'A C 0.6155(6) 0.6568(6) 0.0479(13) 0.163(5) Uani 1 1 d D U
H4'A H 0.608239 0.663905 -0.013902 0.195 Uiso 1 1 calc R U
C5'A C 0.6697(6) 0.6748(10) 0.0541(18) 0.184(8) Uani 1 1 d D U
H5'3 H 0.679050 0.655159 0.013274 0.221 Uiso 1 1 calc R U
H5'4 H 0.689558 0.711153 0.037366 0.221 Uiso 1 1 calc R U
O5'A O 0.6799(8) 0.6681(11) 0.1421(19) 0.257(11) Uani 1 1 d D U
H5'A H 0.663292 0.636487 0.149138 0.308 Uiso 1 1 d R U
N1B N 0.3512(5) 0.2510(4) 0.3728(10) 0.109(3) Uani 1 1 d D U
C2B C 0.3755(5) 0.3031(4) 0.3871(11) 0.099(4) Uani 1 1 d D U
O2B O 0.4171(4) 0.3301(4) 0.3499(7) 0.092(3) Uani 1 1 d D U
N3B N 0.3521(4) 0.3229(4) 0.4340(8) 0.089(3) Uani 1 1 d D U
C4B C 0.3061(5) 0.2923(5) 0.4709(11) 0.099(4) Uani 1 1 d D U
N4B N 0.2848(6) 0.3141(6) 0.5192(9) 0.109(4) Uani 1 1 d D U
H4B1 H 0.300845 0.347313 0.525988 0.131 Uiso 1 1 calc R U
H4B2 H 0.254845 0.295154 0.544086 0.131 Uiso 1 1 calc R U
C5B C 0.2823(6) 0.2390(5) 0.4641(12) 0.107(4) Uani 1 1 d D U
H5B H 0.252608 0.216917 0.497114 0.128 Uiso 1 1 calc R U
C6B C 0.3046(6) 0.2217(5) 0.4074(12) 0.111(4) Uani 1 1 d D U
H6B H 0.286381 0.186863 0.390973 0.133 Uiso 1 1 calc R U
C1'B C 0.3761(6) 0.2316(6) 0.3138(12) 0.153(5) Uani 1 1 d D U
H1'B H 0.399199 0.260135 0.273514 0.184 Uiso 1 1 calc R U
O1'B O 0.3400(6) 0.1938(6) 0.2606(11) 0.165(5) Uani 1 1 d D U
C2'B C 0.4092(7) 0.2110(7) 0.3588(14) 0.176(6) Uani 1 1 d D U
H2'L H 0.413820 0.219128 0.424006 0.211 Uiso 1 1 calc R U
O2'B O 0.4563(6) 0.2322(9) 0.3152(18) 0.230(9) Uani 1 1 d D U
H2'B H 0.470380 0.263688 0.324330 0.275 Uiso 1 1 d R U
C3'B C 0.3775(8) 0.1580(7) 0.3450(15) 0.196(6) Uani 1 1 d D U
H3'L H 0.351812 0.143210 0.393948 0.235 Uiso 1 1 calc R U
O3'B O 0.4046(9) 0.1291(8) 0.3362(19) 0.262(10) Uani 1 1 d D U
H3'B H 0.419868 0.131513 0.384326 0.314 Uiso 1 1 d R U
C4'B C 0.3511(8) 0.1508(7) 0.2569(16) 0.201(7) Uani 1 1 d D U
H4'B H 0.375403 0.156734 0.207099 0.241 Uiso 1 1 calc R U
C5'B C 0.3038(10) 0.1030(8) 0.242(2) 0.232(10) Uani 1 1 d D U
H5'5 H 0.288077 0.104385 0.185222 0.279 Uiso 1 1 calc R U
H5'6 H 0.310697 0.074469 0.239331 0.279 Uiso 1 1 calc R U
O5'B O 0.2711(11) 0.0959(10) 0.313(2) 0.306(14) Uani 1 1 d D U
H5'B H 0.264713 0.119710 0.316901 0.367 Uiso 1 1 d R U
N1C N 0.5173(5) 0.5462(4) 0.4942(11) 0.127(4) Uani 1 1 d D U
C2C C 0.4823(6) 0.4950(5) 0.4837(11) 0.108(4) Uani 1 1 d D U
O2C O 0.4893(5) 0.4644(4) 0.5262(8) 0.108(3) Uani 1 1 d D U
N3C N 0.4410(4) 0.4816(4) 0.4352(8) 0.092(3) Uani 1 1 d D U
C4C C 0.4352(5) 0.5175(5) 0.3919(11) 0.103(4) Uani 1 1 d D U
N4C N 0.3919(5) 0.5006(5) 0.3466(9) 0.101(4) Uani 1 1 d D U
H4C1 H 0.369340 0.467981 0.346271 0.122 Uiso 1 1 calc R U
H4C2 H 0.385970 0.522149 0.317090 0.122 Uiso 1 1 calc R U
C5C C 0.4721(6) 0.5692(5) 0.3949(13) 0.120(5) Uani 1 1 d D U
H5C H 0.470493 0.593803 0.357997 0.143 Uiso 1 1 calc R U
C6C C 0.5099(7) 0.5815(5) 0.4542(14) 0.130(5) Uani 1 1 d D U
H6C H 0.532077 0.616325 0.468057 0.156 Uiso 1 1 calc R U
C1'C C 0.5594(6) 0.5592(6) 0.5569(13) 0.163(5) Uani 1 1 d D U
H1'C H 0.545354 0.539201 0.613119 0.195 Uiso 1 1 calc R U
O1'C O 0.5835(6) 0.6099(6) 0.5770(13) 0.196(6) Uani 1 1 d D U
C2'C C 0.6004(6) 0.5473(7) 0.5172(15) 0.188(6) Uani 1 1 d D U
H2'M H 0.584803 0.522072 0.467736 0.226 Uiso 1 1 calc R U
O2'C O 0.6197(8) 0.5286(9) 0.5805(18) 0.248(9) Uani 1 1 d D U
H2'C H 0.641442 0.523093 0.556525 0.297 Uiso 1 1 d R U
C3'C C 0.6353(7) 0.5956(7) 0.4807(14) 0.201(7) Uani 1 1 d D U
H3'M H 0.623281 0.599982 0.421026 0.241 Uiso 1 1 calc R U
O3'C O 0.6873(7) 0.6024(9) 0.4732(18) 0.244(9) Uani 1 1 d D U
H3'C H 0.685458 0.579748 0.438799 0.293 Uiso 1 1 d R U
C4'C C 0.6380(7) 0.6344(7) 0.5448(16) 0.214(7) Uani 1 1 d D U
H4'C H 0.659878 0.636375 0.596285 0.257 Uiso 1 1 calc R U
C5'C C 0.6568(11) 0.6857(7) 0.510(2) 0.235(10) Uani 1 1 d D U
H5'7 H 0.648912 0.705592 0.553174 0.282 Uiso 1 1 calc R U
H5'8 H 0.694144 0.702915 0.502936 0.282 Uiso 1 1 calc R U
O5'C O 0.6339(13) 0.6832(10) 0.428(2) 0.292(13) Uani 1 1 d D U
H5'C H 0.602245 0.667594 0.435882 0.351 Uiso 1 1 d R U
N1D N 0.3415(5) 0.5003(5) 0.5819(10) 0.118(3) Uani 1 1 d D U
C2D C 0.3518(6) 0.4604(5) 0.5878(11) 0.107(4) Uani 1 1 d D U
O2D O 0.3249(5) 0.4211(4) 0.5445(8) 0.112(4) Uani 1 1 d D U
N3D N 0.3924(5) 0.4659(5) 0.6327(8) 0.107(3) Uani 1 1 d D U
C4D C 0.4219(6) 0.5097(5) 0.6775(11) 0.114(4) Uani 1 1 d D U
N4D N 0.4630(5) 0.5152(6) 0.7200(9) 0.117(5) Uani 1 1 d D U
H4D1 H 0.470368 0.490676 0.718456 0.140 Uiso 1 1 calc R U
H4D2 H 0.482678 0.543406 0.749484 0.140 Uiso 1 1 calc R U
C5D C 0.4126(6) 0.5508(6) 0.6731(11) 0.117(4) Uani 1 1 d D U
H5D H 0.434722 0.582582 0.700496 0.140 Uiso 1 1 calc R U
C6D C 0.3709(7) 0.5429(6) 0.6284(12) 0.116(4) Uani 1 1 d D U
H6D H 0.361784 0.568606 0.629747 0.139 Uiso 1 1 calc R U
C1'D C 0.2960(5) 0.4915(5) 0.5329(11) 0.129(4) Uani 1 1 d D U
H1'D H 0.295219 0.474733 0.475058 0.154 Uiso 1 1 calc R U
O1'D O 0.2972(5) 0.5366(5) 0.5133(9) 0.143(4) Uani 1 1 d D U
C2'D C 0.2437(6) 0.4567(5) 0.5822(11) 0.127(4) Uani 1 1 d D U
H2'N H 0.247135 0.433784 0.626089 0.152 Uiso 1 1 calc R U
O2'D O 0.2034(5) 0.4287(6) 0.5241(12) 0.168(6) Uani 1 1 d D U
H2'D H 0.211037 0.409964 0.494608 0.202 Uiso 1 1 d R U
C3'D C 0.2388(6) 0.4954(6) 0.6273(11) 0.150(5) Uani 1 1 d D U
H3'N H 0.263985 0.509034 0.677350 0.180 Uiso 1 1 calc R U
O3'D O 0.1876(5) 0.4792(7) 0.6634(12) 0.178(6) Uani 1 1 d D U
H3'D H 0.180174 0.455583 0.699991 0.214 Uiso 1 1 d R U
C4'D C 0.2526(6) 0.5367(6) 0.5598(12) 0.148(5) Uani 1 1 d D U
H4'D H 0.223956 0.525985 0.516514 0.178 Uiso 1 1 calc R U
C5'D C 0.2682(9) 0.5875(7) 0.5922(16) 0.152(6) Uani 1 1 d D U
H5'9 H 0.280331 0.611794 0.541723 0.183 Uiso 1 1 calc R U
H5'0 H 0.238943 0.588025 0.620173 0.183 Uiso 1 1 calc R U
O5'D O 0.3071(8) 0.6017(7) 0.6548(15) 0.196(7) Uani 1 1 d D U
H5'D H 0.315965 0.631053 0.673293 0.294 Uiso 1 1 d R U
N1E N 0.3569(6) 0.2490(5) 0.6910(13) 0.157(5) Uani 1 1 d D U
C2E C 0.3654(7) 0.2986(5) 0.6878(13) 0.133(5) Uani 1 1 d D U
O2E O 0.3355(6) 0.3079(6) 0.7274(9) 0.140(5) Uani 1 1 d D U
N3E N 0.4029(6) 0.3332(5) 0.6376(10) 0.123(4) Uani 1 1 d D U
C4E C 0.4342(7) 0.3212(6) 0.5937(14) 0.138(5) Uani 1 1 d D U
N4E N 0.4739(6) 0.3593(6) 0.5524(11) 0.133(5) Uani 1 1 d D U
H4E1 H 0.478466 0.390239 0.554821 0.159 Uiso 1 1 calc R U
H4E2 H 0.495433 0.353430 0.522774 0.159 Uiso 1 1 calc R U
C5E C 0.4301(8) 0.2731(6) 0.6018(15) 0.151(5) Uani 1 1 d D U
H5E H 0.454122 0.265574 0.575976 0.182 Uiso 1 1 calc R U
C6E C 0.3895(8) 0.2383(7) 0.6492(15) 0.155(5) Uani 1 1 d D U
H6E H 0.383815 0.204699 0.653069 0.185 Uiso 1 1 calc R U
C1'E C 0.3140(6) 0.2136(6) 0.7476(14) 0.202(6) Uani 1 1 d D U
H1'E H 0.314685 0.231323 0.804340 0.242 Uiso 1 1 calc R U
O1'E O 0.3180(8) 0.1717(7) 0.7678(15) 0.227(7) Uani 1 1 d D U
C2'E C 0.2608(7) 0.1946(8) 0.6998(17) 0.233(8) Uani 1 1 d D U
H2'O H 0.262908 0.220162 0.655487 0.280 Uiso 1 1 calc R U
O2'E O 0.2224(8) 0.1830(11) 0.762(2) 0.301(12) Uani 1 1 d D U
H2'E H 0.230204 0.209903 0.789305 0.361 Uiso 1 1 d R U
C3'E C 0.2567(9) 0.1510(9) 0.6560(15) 0.250(8) Uani 1 1 d D U
H3'O H 0.278853 0.160801 0.601804 0.300 Uiso 1 1 calc R U
O3'E O 0.2027(10) 0.1139(10) 0.633(2) 0.305(12) Uani 1 1 d D U
H3'E H 0.192986 0.128175 0.596462 0.366 Uiso 1 1 d R U
C4'E C 0.2732(9) 0.1261(8) 0.7249(18) 0.244(8) Uani 1 1 d D U
H4'E H 0.245604 0.109644 0.770492 0.292 Uiso 1 1 calc R U
C5'E C 0.2874(13) 0.0892(9) 0.696(2) 0.255(10) Uani 1 1 d D U
H5'J H 0.298504 0.077330 0.748802 0.306 Uiso 1 1 calc R U
H5'K H 0.257635 0.059440 0.669562 0.306 Uiso 1 1 calc R U
O5'E O 0.3268(12) 0.1110(11) 0.634(2) 0.289(11) Uani 1 1 d D U
H5'E H 0.334516 0.089103 0.618702 0.347 Uiso 1 1 d R U
N1F N 0.3308(5) 0.4915(4) 0.8995(8) 0.102(3) Uani 1 1 d D U
C2F C 0.3607(5) 0.4691(5) 0.8862(10) 0.092(3) Uani 1 1 d D U
O2F O 0.4030(4) 0.4880(4) 0.9229(7) 0.088(3) Uani 1 1 d D U
N3F N 0.3429(5) 0.4278(5) 0.8348(8) 0.097(3) Uani 1 1 d D U
C4F C 0.2964(6) 0.4083(6) 0.7957(11) 0.110(4) Uani 1 1 d D U
N4F N 0.2797(6) 0.3649(5) 0.7508(10) 0.118(5) Uani 1 1 d D U
H4F1 H 0.298537 0.350413 0.747637 0.142 Uiso 1 1 calc R U
H4F2 H 0.249852 0.350734 0.724426 0.142 Uiso 1 1 calc R U
C5F C 0.2636(6) 0.4272(6) 0.8144(11) 0.113(4) Uani 1 1 d D U
H5F H 0.229746 0.411426 0.792477 0.135 Uiso 1 1 calc R U
C6F C 0.2835(6) 0.4692(6) 0.8654(12) 0.113(4) Uani 1 1 d D U
H6F H 0.263050 0.483968 0.878177 0.136 Uiso 1 1 calc R U
C1'F C 0.3503(6) 0.5364(4) 0.9577(9) 0.108(4) Uani 1 1 d D U
H1'F H 0.381600 0.541877 0.989528 0.129 Uiso 1 1 calc R U
O1'F O 0.3129(5) 0.5277(4) 1.0183(8) 0.117(3) Uani 1 1 d D U
C2'F C 0.3612(6) 0.5867(5) 0.9077(10) 0.126(4) Uani 1 1 d D U
H2'P H 0.332941 0.578215 0.864570 0.152 Uiso 1 1 calc R U
O2'F O 0.4061(6) 0.6071(5) 0.8611(11) 0.157(6) Uani 1 1 d D U
H2'F H 0.403352 0.585593 0.822962 0.189 Uiso 1 1 d R U
C3'F C 0.3566(6) 0.6143(5) 0.9795(11) 0.132(5) Uani 1 1 d D U
H3'P H 0.347996 0.639873 0.955986 0.158 Uiso 1 1 calc R U
O3'F O 0.4031(6) 0.6403(6) 1.0360(12) 0.171(6) Uani 1 1 d D U
H3'F H 0.427149 0.661120 1.003679 0.205 Uiso 1 1 d R U
C4'F C 0.3146(6) 0.5772(5) 1.0382(12) 0.136(5) Uani 1 1 d D U
H4'F H 0.326289 0.586423 1.101405 0.163 Uiso 1 1 calc R U
C5'F C 0.2638(7) 0.5701(9) 1.0327(16) 0.148(6) Uani 1 1 d D U
H5'L H 0.241278 0.543630 1.075681 0.178 Uiso 1 1 calc R U
H5'M H 0.264760 0.602213 1.048775 0.178 Uiso 1 1 calc R U
O5'F O 0.2445(8) 0.5557(10) 0.9466(16) 0.227(9) Uani 1 1 d D U
H5'F H 0.243461 0.528200 0.934881 0.273 Uiso 1 1 d R U
N1G N 0.5285(6) 0.3904(6) 0.7818(11) 0.163(4) Uani 1 1 d D U
C2G C 0.4905(6) 0.4031(7) 0.7874(12) 0.144(5) Uani 1 1 d D U
O2G O 0.4955(6) 0.4400(6) 0.7432(8) 0.147(5) Uani 1 1 d D U
N3G N 0.4476(6) 0.3742(5) 0.8328(9) 0.137(4) Uani 1 1 d D U
C4G C 0.4436(6) 0.3341(6) 0.8787(11) 0.134(5) Uani 1 1 d D U
N4G N 0.4019(6) 0.3061(6) 0.9287(10) 0.146(6) Uani 1 1 d D U
H4G1 H 0.377776 0.314036 0.931153 0.175 Uiso 1 1 calc R U
H4G2 H 0.398811 0.279861 0.958940 0.175 Uiso 1 1 calc R U
C5G C 0.4845(7) 0.3247(8) 0.8850(12) 0.147(5) Uani 1 1 d D U
H5G H 0.483481 0.299931 0.925061 0.176 Uiso 1 1 calc R U
C6G C 0.5248(7) 0.3520(8) 0.8325(13) 0.152(5) Uani 1 1 d D U
H6G H 0.551326 0.344079 0.830910 0.183 Uiso 1 1 calc R U
C1'G C 0.5755(6) 0.4248(7) 0.7335(14) 0.206(6) Uani 1 1 d D U
H1'G H 0.565247 0.434991 0.677071 0.247 Uiso 1 1 calc R U
O1'G O 0.6026(8) 0.4015(8) 0.7094(14) 0.246(7) Uani 1 1 d D U
C2'G C 0.6118(8) 0.4754(8) 0.7862(17) 0.238(8) Uani 1 1 d D U
H2'Q H 0.592752 0.480451 0.835850 0.286 Uiso 1 1 calc R U
O2'G O 0.6343(11) 0.5180(8) 0.733(2) 0.287(11) Uani 1 1 d D U
H2'G H 0.610676 0.521062 0.709911 0.345 Uiso 1 1 d R U
C3'G C 0.6469(9) 0.4620(9) 0.8215(16) 0.264(8) Uani 1 1 d D U
H3'Q H 0.631123 0.439344 0.874383 0.317 Uiso 1 1 calc R U
O3'G O 0.6969(8) 0.5059(10) 0.8490(17) 0.291(11) Uani 1 1 d D U
H3'G H 0.691281 0.522352 0.887952 0.350 Uiso 1 1 d R U
C4'G C 0.6552(9) 0.4326(9) 0.7503(17) 0.257(7) Uani 1 1 d D U
H4'G H 0.678847 0.456783 0.704463 0.308 Uiso 1 1 calc R U
C5'G C 0.6746(12) 0.3997(13) 0.780(2) 0.271(9) Uani 1 1 d D U
H5'N H 0.668107 0.373994 0.733208 0.325 Uiso 1 1 calc R U
H5'O H 0.711725 0.420112 0.789480 0.325 Uiso 1 1 calc R U
O5'G O 0.6507(12) 0.3756(11) 0.858(2) 0.261(10) Uani 1 1 d D U
H5'G H 0.657936 0.398391 0.896727 0.314 Uiso 1 1 d R U
N1H N 0.5409(4) 0.4100(4) 1.0960(8) 0.089(3) Uani 1 1 d D U
C2H C 0.4909(4) 0.3992(5) 1.0876(10) 0.090(3) Uani 1 1 d D U
O2H O 0.4554(4) 0.3611(4) 1.1238(6) 0.080(3) Uani 1 1 d D U
N3H N 0.4805(4) 0.4275(4) 1.0324(7) 0.084(3) Uani 1 1 d D U
C4H C 0.5189(5) 0.4689(5) 0.9932(10) 0.099(4) Uani 1 1 d D U
N4H N 0.5064(6) 0.4994(5) 0.9481(8) 0.102(4) Uani 1 1 d D U
H4H1 H 0.474413 0.491882 0.945264 0.122 Uiso 1 1 calc R U
H4H2 H 0.530123 0.526870 0.921405 0.122 Uiso 1 1 calc R U
C5H C 0.5703(5) 0.4827(5) 1.0041(11) 0.102(4) Uani 1 1 d D U
H5H H 0.597296 0.511941 0.976720 0.122 Uiso 1 1 calc R U
C6H C 0.5785(5) 0.4512(5) 1.0565(10) 0.099(4) Uani 1 1 d D U
H6H H 0.612516 0.458587 1.065570 0.118 Uiso 1 1 calc R U
C1'H C 0.5519(5) 0.3780(5) 1.1554(8) 0.098(3) Uani 1 1 d D U
H1'H H 0.520164 0.352559 1.186617 0.118 Uiso 1 1 calc R U
O1'H O 0.5878(4) 0.4093(4) 1.2168(8) 0.113(3) Uani 1 1 d D U
C2'H C 0.5767(6) 0.3502(5) 1.1038(9) 0.108(4) Uani 1 1 d D U
H2'R H 0.602272 0.374198 1.059996 0.130 Uiso 1 1 calc R U
O2'H O 0.5402(5) 0.3076(5) 1.0592(9) 0.128(4) Uani 1 1 d D U
H2'H H 0.554029 0.292896 1.034168 0.153 Uiso 1 1 d R U
C3'H C 0.6023(5) 0.3427(5) 1.1765(10) 0.116(4) Uani 1 1 d D U
H3'R H 0.630664 0.338128 1.153277 0.139 Uiso 1 1 calc R U
O3'H O 0.5686(5) 0.2989(5) 1.2335(10) 0.132(4) Uani 1 1 d D U
H3'H H 0.556611 0.272473 1.202046 0.159 Uiso 1 1 d R U
C4'H C 0.6237(5) 0.3893(6) 1.2337(12) 0.124(4) Uani 1 1 d D U
H4'H H 0.621280 0.379122 1.297821 0.149 Uiso 1 1 calc R U
C5'H C 0.6755(6) 0.4299(7) 1.2148(18) 0.154(6) Uani 1 1 d D U
H5'P H 0.681070 0.434420 1.149528 0.185 Uiso 1 1 calc R U
H5'Q H 0.681307 0.462337 1.240810 0.185 Uiso 1 1 calc R U
O5'H O 0.7086(7) 0.4160(9) 1.2527(17) 0.205(8) Uani 1 1 d D U
H5'H H 0.704038 0.388414 1.231521 0.246 Uiso 1 1 d R U
N1I N 0.2439(4) 0.3313(5) 0.9806(11) 0.127(4) Uani 1 1 d D U
C2I C 0.2948(5) 0.3449(5) 0.9891(10) 0.098(4) Uani 1 1 d D U
O2I O 0.3126(4) 0.3219(4) 0.9483(8) 0.101(3) Uani 1 1 d D U
N3I N 0.3268(4) 0.3870(4) 1.0359(7) 0.088(3) Uani 1 1 d D U
C4I C 0.3079(5) 0.4136(5) 1.0783(9) 0.089(3) Uani 1 1 d D U
N4I N 0.3413(5) 0.4549(4) 1.1229(8) 0.089(3) Uani 1 1 d D U
H4I1 H 0.373598 0.463525 1.123785 0.107 Uiso 1 1 calc R U
H4I2 H 0.331066 0.473446 1.151561 0.107 Uiso 1 1 calc R U
C5I C 0.2567(5) 0.4001(6) 1.0721(11) 0.100(4) Uani 1 1 d D U
H5I H 0.243686 0.418757 1.102004 0.120 Uiso 1 1 calc R U
C6I C 0.2272(5) 0.3595(6) 1.0218(12) 0.111(4) Uani 1 1 d D U
H6I H 0.192527 0.350073 1.014842 0.133 Uiso 1 1 calc R U
C1'I C 0.2086(6) 0.2867(6) 0.9264(12) 0.172(6) Uani 1 1 d D U
H1'I H 0.228527 0.273518 0.894245 0.207 Uiso 1 1 calc R U
O1'I O 0.1849(6) 0.3014(6) 0.8645(12) 0.198(6) Uani 1 1 d D U
C2'I C 0.1647(7) 0.2419(7) 0.9813(13) 0.208(7) Uani 1 1 d D U
H2'S H 0.153267 0.256306 1.030179 0.250 Uiso 1 1 calc R U
O2'I O 0.1791(8) 0.2091(7) 1.0174(16) 0.230(9) Uani 1 1 d D U
H2'I H 0.203029 0.225981 1.053129 0.276 Uiso 1 1 d R U
C3'I C 0.1260(7) 0.2196(7) 0.9151(15) 0.226(8) Uani 1 1 d D U
H3'S H 0.092020 0.202309 0.944945 0.271 Uiso 1 1 calc R U
O3'I O 0.1300(11) 0.1831(9) 0.8538(18) 0.256(10) Uani 1 1 d D U
H3'I H 0.127142 0.158916 0.885172 0.307 Uiso 1 1 d R U
C4'I C 0.1297(7) 0.2611(7) 0.8562(16) 0.223(7) Uani 1 1 d D U
H4'I H 0.123504 0.248354 0.793255 0.268 Uiso 1 1 calc R U
C5'I C 0.0959(10) 0.2807(12) 0.875(2) 0.240(9) Uani 1 1 d D U
H5'R H 0.105903 0.312076 0.840696 0.288 Uiso 1 1 calc R U
H5'S H 0.060401 0.255259 0.859984 0.288 Uiso 1 1 calc R U
O5'I O 0.1003(10) 0.2911(12) 0.967(2) 0.270(10) Uani 1 1 d D U
H5'I H 0.081889 0.303569 0.979060 0.324 Uiso 1 1 d R U
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0030 0.0010 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0060 0.0030 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0110 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.9460 1.0390 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
Ag2 Ag1 Ag5 166.73(6) . 1_554
Ag2 Ag1 N3 85.1(3) . .
Ag2 Ag1 N3A 95.8(3) . .
Ag5 Ag1 N3 88.4(3) 1_554 .
Ag5 Ag1 N3A 89.6(3) 1_554 .
N3 Ag1 N3A 174.7(4) . .
Ag1 Ag2 Ag3 162.34(7) . .
Ag1 Ag2 N3B 88.9(3) . .
Ag1 Ag2 N3C 88.3(3) . .
Ag3 Ag2 N3B 91.3(3) . .
Ag3 Ag2 N3C 88.4(3) . .
N3B Ag2 N3C 169.6(5) . .
Ag2 Ag3 Ag4 165.48(8) . .
Ag2 Ag3 N3D 85.1(3) . .
Ag2 Ag3 N3E 95.2(4) . .
Ag4 Ag3 N3D 89.4(3) . .
Ag4 Ag3 N3E 87.5(4) . .
N3D Ag3 N3E 168.9(6) . .
Ag3 Ag4 Ag5 167.04(9) . .
Ag3 Ag4 N3F 94.8(3) . .
Ag3 Ag4 N3G 86.1(3) . .
Ag5 Ag4 N3F 89.2(3) . .
Ag5 Ag4 N3G 88.5(4) . .
N3F Ag4 N3G 173.3(6) . .
Ag1 Ag5 Ag4 170.63(6) 1_556 .
Ag1 Ag5 N3H 88.0(3) 1_556 .
Ag1 Ag5 N3I 91.7(3) 1_556 .
Ag4 Ag5 N3H 93.6(3) . .
Ag4 Ag5 N3I 86.2(3) . .
N3H Ag5 N3I 177.3(4) . .
C2 N1 C6 119.4(10) . .
C2 N1 C1' 116.9(10) . .
C6 N1 C1' 123.0(11) . .
N1 C2 O2 118.7(11) . .
N1 C2 N3 120.8(10) . .
O2 C2 N3 120.3(11) . .
Ag1 N3 C2 114.8(8) . .
Ag1 N3 C4 127.2(8) . .
C2 N3 C4 117.8(10) . .
N3 C4 N4 117.5(11) . .
N3 C4 C5 122.8(11) . .
N4 C4 C5 119.7(11) . .
C4 N4 H41 120.0 . .
C4 N4 H42 120.0 . .
H41 N4 H42 120.0 . .
C4 C5 H5 122.1 . .
C4 C5 C6 115.7(12) . .
H5 C5 C6 122.1 . .
N1 C6 C5 121.9(13) . .
N1 C6 H6 119.0 . .
C5 C6 H6 119.0 . .
N1 C1' H1' 109.0 . .
N1 C1' O1' 108.2(12) . .
N1 C1' C2' 113.2(13) . .
H1' C1' O1' 109.0 . .
H1' C1' C2' 109.0 . .
O1' C1' C2' 108.5(11) . .
C1' O1' C4' 107.6(11) . .
C1' C2' H2'J 110.1 . .
C1' C2' O2' 113.7(15) . .
C1' C2' C3' 100.2(11) . .
H2'J C2' O2' 110.1 . .
H2'J C2' C3' 110.1 . .
O2' C2' C3' 112.2(13) . .
C2' O2' H2' 109.2 . .
C2' C3' H3'J 111.0 . .
C2' C3' O3' 112.3(14) . .
C2' C3' C4' 105.8(12) . .
H3'J C3' O3' 111.0 . .
H3'J C3' C4' 111.0 . .
O3' C3' C4' 105.5(14) . .
C3' O3' H3' 107.3 . .
O1' C4' C3' 102.0(11) . .
O1' C4' H4' 108.5 . .
O1' C4' C5' 110.7(16) . .
C3' C4' H4' 108.5 . .
C3' C4' C5' 118.2(16) . .
H4' C4' C5' 108.5 . .
C4' C5' H5'1 109.5 . .
C4' C5' H5'2 109.5 . .
C4' C5' O5' 110.6(16) . .
H5'1 C5' H5'2 108.1 . .
H5'1 C5' O5' 109.5 . .
H5'2 C5' O5' 109.5 . .
C5' O5' H5' 106.5 . .
C2A N1A C6A 119.8(10) . .
C2A N1A C1'A 120.4(10) . .
C6A N1A C1'A 119.7(10) . .
N1A C2A O2A 120.4(10) . .
N1A C2A N3A 119.6(10) . .
O2A C2A N3A 119.9(10) . .
Ag1 N3A C2A 115.6(7) . .
Ag1 N3A C4A 125.1(7) . .
C2A N3A C4A 119.3(10) . .
N3A C4A N4A 117.6(10) . .
N3A C4A C5A 122.1(10) . .
N4A C4A C5A 120.2(11) . .
C4A N4A H4A1 120.0 . .
C4A N4A H4A2 120.0 . .
H4A1 N4A H4A2 120.0 . .
C4A C5A H5A 122.0 . .
C4A C5A C6A 116.0(11) . .
H5A C5A C6A 122.0 . .
N1A C6A C5A 122.8(11) . .
N1A C6A H6A 118.6 . .
C5A C6A H6A 118.6 . .
N1A C1'A H1'A 110.4 . .
N1A C1'A O1'A 108.3(11) . .
N1A C1'A C2'A 112.6(11) . .
H1'A C1'A O1'A 110.4 . .
H1'A C1'A C2'A 110.4 . .
O1'A C1'A C2'A 104.7(10) . .
C1'A O1'A C4'A 109.1(9) . .
C1'A C2'A H2'K 108.9 . .
C1'A C2'A O2'A 111.5(13) . .
C1'A C2'A C3'A 101.4(10) . .
H2'K C2'A O2'A 108.9 . .
H2'K C2'A C3'A 108.9 . .
O2'A C2'A C3'A 116.9(13) . .
C2'A O2'A H2'A 109.1 . .
C2'A C3'A H3'K 109.9 . .
C2'A C3'A O3'A 112.7(13) . .
C2'A C3'A C4'A 108.2(11) . .
H3'K C3'A O3'A 109.9 . .
H3'K C3'A C4'A 109.9 . .
O3'A C3'A C4'A 106.0(13) . .
C3'A O3'A H3'A 109.3 . .
O1'A C4'A C3'A 103.4(10) . .
O1'A C4'A H4'A 108.0 . .
O1'A C4'A C5'A 110.3(13) . .
C3'A C4'A H4'A 108.0 . .
C3'A C4'A C5'A 118.8(15) . .
H4'A C4'A C5'A 108.0 . .
C4'A C5'A H5'3 110.3 . .
C4'A C5'A H5'4 110.3 . .
C4'A C5'A O5'A 107.3(14) . .
H5'3 C5'A H5'4 108.5 . .
H5'3 C5'A O5'A 110.3 . .
H5'4 C5'A O5'A 110.3 . .
C5'A O5'A H5'A 103.6 . .
C2B N1B C6B 118.6(10) . .
C2B N1B C1'B 117.7(10) . .
C6B N1B C1'B 123.4(11) . .
N1B C2B O2B 117.9(10) . .
N1B C2B N3B 119.7(10) . .
O2B C2B N3B 122.2(10) . .
Ag2 N3B C2B 114.5(8) . .
Ag2 N3B C4B 125.1(8) . .
C2B N3B C4B 120.3(10) . .
N3B C4B N4B 117.9(11) . .
N3B C4B C5B 121.5(10) . .
N4B C4B C5B 120.5(11) . .
C4B N4B H4B1 120.0 . .
C4B N4B H4B2 120.0 . .
H4B1 N4B H4B2 120.0 . .
C4B C5B H5B 122.4 . .
C4B C5B C6B 115.1(11) . .
H5B C5B C6B 122.4 . .
N1B C6B C5B 123.6(12) . .
N1B C6B H6B 118.2 . .
C5B C6B H6B 118.2 . .
N1B C1'B H1'B 107.1 . .
N1B C1'B O1'B 109.0(12) . .
N1B C1'B C2'B 117.6(13) . .
H1'B C1'B O1'B 107.1 . .
H1'B C1'B C2'B 107.1 . .
O1'B C1'B C2'B 108.5(10) . .
C1'B O1'B C4'B 108.1(10) . .
C1'B C2'B H2'L 110.9 . .
C1'B C2'B O2'B 108.9(14) . .
C1'B C2'B C3'B 100.5(11) . .
H2'L C2'B O2'B 110.9 . .
H2'L C2'B C3'B 110.9 . .
O2'B C2'B C3'B 114.4(14) . .
C2'B O2'B H2'B 105.8 . .
C2'B C3'B H3'L 109.8 . .
C2'B C3'B O3'B 115.0(15) . .
C2'B C3'B C4'B 107.7(12) . .
H3'L C3'B O3'B 109.8 . .
H3'L C3'B C4'B 109.8 . .
O3'B C3'B C4'B 104.5(14) . .
C3'B O3'B H3'B 108.6 . .
O1'B C4'B C3'B 100.2(11) . .
O1'B C4'B H4'B 109.7 . .
O1'B C4'B C5'B 109.3(15) . .
C3'B C4'B H4'B 109.7 . .
C3'B C4'B C5'B 117.7(17) . .
H4'B C4'B C5'B 109.7 . .
C4'B C5'B H5'5 110.1 . .
C4'B C5'B H5'6 110.1 . .
C4'B C5'B O5'B 108.1(15) . .
H5'5 C5'B H5'6 108.4 . .
H5'5 C5'B O5'B 110.1 . .
H5'6 C5'B O5'B 110.1 . .
C5'B O5'B H5'B 111.6 . .
C2C N1C C6C 120.3(10) . .
C2C N1C C1'C 116.8(10) . .
C6C N1C C1'C 122.7(11) . .
N1C C2C O2C 117.6(11) . .
N1C C2C N3C 119.0(10) . .
O2C C2C N3C 123.1(12) . .
Ag2 N3C C2C 112.7(8) . .
Ag2 N3C C4C 127.4(8) . .
C2C N3C C4C 119.9(10) . .
N3C C4C N4C 115.7(11) . .
N3C C4C C5C 122.3(11) . .
N4C C4C C5C 121.9(11) . .
C4C N4C H4C1 120.0 . .
C4C N4C H4C2 120.0 . .
H4C1 N4C H4C2 120.0 . .
C4C C5C H5C 122.4 . .
C4C C5C C6C 115.1(12) . .
H5C C5C C6C 122.4 . .
N1C C6C C5C 122.2(12) . .
N1C C6C H6C 118.9 . .
C5C C6C H6C 118.9 . .
N1C C1'C H1'C 108.9 . .
N1C C1'C O1'C 110.3(12) . .
N1C C1'C C2'C 112.2(13) . .
H1'C C1'C O1'C 108.9 . .
H1'C C1'C C2'C 108.9 . .
O1'C C1'C C2'C 107.5(11) . .
C1'C O1'C C4'C 108.8(11) . .
C1'C C2'C H2'M 109.2 . .
C1'C C2'C O2'C 112.5(15) . .
C1'C C2'C C3'C 100.2(11) . .
H2'M C2'C O2'C 109.2 . .
H2'M C2'C C3'C 109.2 . .
O2'C C2'C C3'C 116.0(15) . .
C2'C O2'C H2'C 109.2 . .
C2'C C3'C H3'M 110.4 . .
C2'C C3'C O3'C 111.5(14) . .
C2'C C3'C C4'C 106.5(13) . .
H3'M C3'C O3'C 110.4 . .
H3'M C3'C C4'C 110.4 . .
O3'C C3'C C4'C 107.7(15) . .
C3'C O3'C H3'C 107.5 . .
O1'C C4'C C3'C 101.7(11) . .
O1'C C4'C H4'C 108.4 . .
O1'C C4'C C5'C 112.7(16) . .
C3'C C4'C H4'C 108.4 . .
C3'C C4'C C5'C 117.0(16) . .
H4'C C4'C C5'C 108.4 . .
C4'C C5'C H5'7 109.7 . .
C4'C C5'C H5'8 109.7 . .
C4'C C5'C O5'C 109.6(16) . .
H5'7 C5'C H5'8 108.2 . .
H5'7 C5'C O5'C 109.7 . .
H5'8 C5'C O5'C 109.8 . .
C5'C O5'C H5'C 107.7 . .
C2D N1D C6D 118.4(10) . .
C2D N1D C1'D 118.2(10) . .
C6D N1D C1'D 123.1(10) . .
N1D C2D O2D 118.5(11) . .
N1D C2D N3D 121.0(10) . .
O2D C2D N3D 120.2(10) . .
Ag3 N3D C2D 117.5(8) . .
Ag3 N3D C4D 123.4(8) . .
C2D N3D C4D 119.1(10) . .
N3D C4D N4D 118.5(11) . .
N3D C4D C5D 121.3(11) . .
N4D C4D C5D 119.9(12) . .
C4D N4D H4D1 120.0 . .
C4D N4D H4D2 120.0 . .
H4D1 N4D H4D2 120.0 . .
C4D C5D H5D 121.6 . .
C4D C5D C6D 116.9(12) . .
H5D C5D C6D 121.6 . .
N1D C6D C5D 123.0(11) . .
N1D C6D H6D 118.5 . .
C5D C6D H6D 118.5 . .
N1D C1'D H1'D 107.7 . .
N1D C1'D O1'D 111.7(11) . .
N1D C1'D C2'D 115.3(11) . .
H1'D C1'D O1'D 107.7 . .
H1'D C1'D C2'D 107.7 . .
O1'D C1'D C2'D 106.5(10) . .
C1'D O1'D C4'D 108.7(10) . .
C1'D C2'D H2'N 110.6 . .
C1'D C2'D O2'D 113.5(12) . .
C1'D C2'D C3'D 98.7(10) . .
H2'N C2'D O2'D 110.6 . .
H2'N C2'D C3'D 110.6 . .
O2'D C2'D C3'D 112.2(12) . .
C2'D O2'D H2'D 106.7 . .
C2'D C3'D H3'N 108.9 . .
C2'D C3'D O3'D 115.1(13) . .
C2'D C3'D C4'D 105.7(11) . .
H3'N C3'D O3'D 108.9 . .
H3'N C3'D C4'D 108.9 . .
O3'D C3'D C4'D 109.3(13) . .
C3'D O3'D H3'D 108.1 . .
O1'D C4'D C3'D 100.5(10) . .
O1'D C4'D H4'D 109.4 . .
O1'D C4'D C5'D 109.7(13) . .
C3'D C4'D H4'D 109.4 . .
C3'D C4'D C5'D 118.1(14) . .
H4'D C4'D C5'D 109.4 . .
C4'D C5'D H5'9 109.8 . .
C4'D C5'D H5'0 109.8 . .
C4'D C5'D O5'D 109.2(13) . .
H5'9 C5'D H5'0 108.3 . .
H5'9 C5'D O5'D 109.8 . .
H5'0 C5'D O5'D 109.8 . .
C5'D O5'D H5'D 108.7 . .
C2E N1E C6E 118.9(11) . .
C2E N1E C1'E 115.2(11) . .
C6E N1E C1'E 125.7(11) . .
N1E C2E O2E 118.0(12) . .
N1E C2E N3E 119.8(11) . .
O2E C2E N3E 122.0(12) . .
Ag3 N3E C2E 113.8(8) . .
Ag3 N3E C4E 126.1(9) . .
C2E N3E C4E 120.2(11) . .
N3E C4E N4E 116.4(12) . .
N3E C4E C5E 122.0(12) . .
N4E C4E C5E 120.9(13) . .
C4E N4E H4E1 120.0 . .
C4E N4E H4E2 120.0 . .
H4E1 N4E H4E2 120.0 . .
C4E C5E H5E 122.3 . .
C4E C5E C6E 115.3(12) . .
H5E C5E C6E 122.3 . .
N1E C6E C5E 123.4(12) . .
N1E C6E H6E 118.3 . .
C5E C6E H6E 118.3 . .
N1E C1'E H1'E 108.9 . .
N1E C1'E O1'E 110.3(14) . .
N1E C1'E C2'E 112.0(14) . .
H1'E C1'E O1'E 108.9 . .
H1'E C1'E C2'E 108.9 . .
O1'E C1'E C2'E 107.9(11) . .
C1'E O1'E C4'E 107.3(11) . .
C1'E C2'E H2'O 111.0 . .
C1'E C2'E O2'E 111.4(16) . .
C1'E C2'E C3'E 98.5(11) . .
H2'O C2'E O2'E 111.0 . .
H2'O C2'E C3'E 111.0 . .
O2'E C2'E C3'E 113.4(16) . .
C2'E O2'E H2'E 106.9 . .
C2'E C3'E H3'O 111.2 . .
C2'E C3'E O3'E 111.1(16) . .
C2'E C3'E C4'E 104.7(13) . .
H3'O C3'E O3'E 111.2 . .
H3'O C3'E C4'E 111.2 . .
O3'E C3'E C4'E 107.1(16) . .
C3'E O3'E H3'E 107.2 . .
O1'E C4'E C3'E 101.9(12) . .
O1'E C4'E H4'E 108.2 . .
O1'E C4'E C5'E 110.6(16) . .
C3'E C4'E H4'E 108.2 . .
C3'E C4'E C5'E 119.2(18) . .
H4'E C4'E C5'E 108.2 . .
C4'E C5'E H5'J 109.6 . .
C4'E C5'E H5'K 109.6 . .
C4'E C5'E O5'E 110.2(16) . .
H5'J C5'E H5'K 108.1 . .
H5'J C5'E O5'E 109.6 . .
H5'K C5'E O5'E 109.6 . .
C5'E O5'E H5'E 108.5 . .
C2F N1F C6F 119.6(10) . .
C2F N1F C1'F 118.6(10) . .
C6F N1F C1'F 121.6(10) . .
N1F C2F O2F 119.2(10) . .
N1F C2F N3F 118.9(10) . .
O2F C2F N3F 121.8(10) . .
Ag4 N3F C2F 112.7(8) . .
Ag4 N3F C4F 127.0(8) . .
C2F N3F C4F 120.2(10) . .
N3F C4F N4F 116.6(11) . .
N3F C4F C5F 122.0(10) . .
N4F C4F C5F 120.5(12) . .
C4F N4F H4F1 120.0 . .
C4F N4F H4F2 120.0 . .
H4F1 N4F H4F2 120.0 . .
C4F C5F H5F 122.4 . .
C4F C5F C6F 115.3(11) . .
H5F C5F C6F 122.4 . .
N1F C6F C5F 123.6(12) . .
N1F C6F H6F 118.2 . .
C5F C6F H6F 118.2 . .
N1F C1'F H1'F 110.1 . .
N1F C1'F O1'F 107.5(10) . .
N1F C1'F C2'F 114.2(11) . .
H1'F C1'F O1'F 110.1 . .
H1'F C1'F C2'F 110.1 . .
O1'F C1'F C2'F 104.7(9) . .
C1'F O1'F C4'F 108.9(9) . .
C1'F C2'F H2'P 108.6 . .
C1'F C2'F O2'F 110.9(11) . .
C1'F C2'F C3'F 100.3(10) . .
H2'P C2'F O2'F 108.6 . .
H2'P C2'F C3'F 108.6 . .
O2'F C2'F C3'F 119.3(13) . .
C2'F O2'F H2'F 107.8 . .
C2'F C3'F H3'P 109.6 . .
C2'F C3'F O3'F 113.5(12) . .
C2'F C3'F C4'F 107.5(11) . .
H3'P C3'F O3'F 109.6 . .
H3'P C3'F C4'F 109.6 . .
O3'F C3'F C4'F 106.9(12) . .
C3'F O3'F H3'F 108.0 . .
O1'F C4'F C3'F 103.1(9) . .
O1'F C4'F H4'F 107.3 . .
O1'F C4'F C5'F 109.7(12) . .
C3'F C4'F H4'F 107.3 . .
C3'F C4'F C5'F 121.5(14) . .
H4'F C4'F C5'F 107.3 . .
C4'F C5'F H5'L 109.6 . .
C4'F C5'F H5'M 109.6 . .
C4'F C5'F O5'F 110.4(14) . .
H5'L C5'F H5'M 108.1 . .
H5'L C5'F O5'F 109.6 . .
H5'M C5'F O5'F 109.6 . .
C5'F O5'F H5'F 107.9 . .
C2G N1G C6G 118.9(11) . .
C2G N1G C1'G 118.5(11) . .
C6G N1G C1'G 121.7(11) . .
N1G C2G O2G 118.2(11) . .
N1G C2G N3G 121.2(11) . .
O2G C2G N3G 120.3(12) . .
Ag4 N3G C2G 117.2(8) . .
Ag4 N3G C4G 124.5(9) . .
C2G N3G C4G 118.2(11) . .
N3G C4G N4G 119.1(11) . .
N3G C4G C5G 121.7(12) . .
N4G C4G C5G 118.7(11) . .
C4G N4G H4G1 120.0 . .
C4G N4G H4G2 120.0 . .
H4G1 N4G H4G2 120.0 . .
C4G C5G H5G 121.3 . .
C4G C5G C6G 117.4(12) . .
H5G C5G C6G 121.3 . .
N1G C6G C5G 121.5(12) . .
N1G C6G H6G 119.2 . .
C5G C6G H6G 119.2 . .
N1G C1'G H1'G 107.2 . .
N1G C1'G O1'G 112.3(13) . .
N1G C1'G C2'G 113.7(14) . .
H1'G C1'G O1'G 107.2 . .
H1'G C1'G C2'G 107.2 . .
O1'G C1'G C2'G 108.9(11) . .
C1'G O1'G C4'G 106.8(11) . .
C1'G C2'G H2'Q 110.0 . .
C1'G C2'G O2'G 113.5(16) . .
C1'G C2'G C3'G 99.6(11) . .
H2'Q C2'G O2'G 110.0 . .
H2'Q C2'G C3'G 110.0 . .
O2'G C2'G C3'G 113.3(16) . .
C2'G O2'G H2'G 106.8 . .
C2'G C3'G H3'Q 108.7 . .
C2'G C3'G O3'G 114.8(16) . .
C2'G C3'G C4'G 106.4(13) . .
H3'Q C3'G O3'G 108.7 . .
H3'Q C3'G C4'G 108.7 . .
O3'G C3'G C4'G 109.4(16) . .
C3'G O3'G H3'G 107.8 . .
O1'G C4'G C3'G 102.7(12) . .
O1'G C4'G H4'G 109.0 . .
O1'G C4'G C5'G 110.8(16) . .
C3'G C4'G H4'G 109.0 . .
C3'G C4'G C5'G 116.2(16) . .
H4'G C4'G C5'G 109.0 . .
C4'G C5'G H5'N 109.7 . .
C4'G C5'G H5'O 109.7 . .
C4'G C5'G O5'G 109.6(16) . .
H5'N C5'G H5'O 108.2 . .
H5'N C5'G O5'G 109.7 . .
H5'O C5'G O5'G 109.7 . .
C5'G O5'G H5'G 107.0 . .
C2H N1H C6H 120.1(9) . .
C2H N1H C1'H 118.7(9) . .
C6H N1H C1'H 120.9(10) . .
N1H C2H O2H 121.0(9) . .
N1H C2H N3H 119.0(10) . .
O2H C2H N3H 119.6(10) . .
Ag5 N3H C2H 113.9(7) . .
Ag5 N3H C4H 125.4(7) . .
C2H N3H C4H 119.7(10) . .
N3H C4H N4H 116.7(10) . .
N3H C4H C5H 122.6(10) . .
N4H C4H C5H 120.5(11) . .
C4H N4H H4H1 120.0 . .
C4H N4H H4H2 120.0 . .
H4H1 N4H H4H2 120.0 . .
C4H C5H H5H 122.4 . .
C4H C5H C6H 115.3(11) . .
H5H C5H C6H 122.4 . .
N1H C6H C5H 122.9(11) . .
N1H C6H H6H 118.5 . .
C5H C6H H6H 118.5 . .
N1H C1'H H1'H 110.2 . .
N1H C1'H O1'H 108.1(10) . .
N1H C1'H C2'H 112.5(10) . .
H1'H C1'H O1'H 110.2 . .
H1'H C1'H C2'H 110.2 . .
O1'H C1'H C2'H 105.6(9) . .
C1'H O1'H C4'H 108.4(9) . .
C1'H C2'H H2'R 109.4 . .
C1'H C2'H O2'H 111.1(11) . .
C1'H C2'H C3'H 99.1(9) . .
H2'R C2'H O2'H 109.4 . .
H2'R C2'H C3'H 109.4 . .
O2'H C2'H C3'H 117.9(11) . .
C2'H O2'H H2'H 109.3 . .
C2'H C3'H H3'R 109.5 . .
C2'H C3'H O3'H 113.4(11) . .
C2'H C3'H C4'H 107.5(10) . .
H3'R C3'H O3'H 109.5 . .
H3'R C3'H C4'H 109.5 . .
O3'H C3'H C4'H 107.4(11) . .
C3'H O3'H H3'H 108.1 . .
O1'H C4'H C3'H 103.1(9) . .
O1'H C4'H H4'H 109.1 . .
O1'H C4'H C5'H 108.4(11) . .
C3'H C4'H H4'H 109.1 . .
C3'H C4'H C5'H 117.6(14) . .
H4'H C4'H C5'H 109.1 . .
C4'H C5'H H5'P 110.2 . .
C4'H C5'H H5'Q 110.2 . .
C4'H C5'H O5'H 107.5(13) . .
H5'P C5'H H5'Q 108.5 . .
H5'P C5'H O5'H 110.2 . .
H5'Q C5'H O5'H 110.2 . .
C5'H O5'H H5'H 111.4 . .
C2I N1I C6I 118.9(10) . .
C2I N1I C1'I 120.7(11) . .
C6I N1I C1'I 120.3(11) . .
N1I C2I O2I 121.4(11) . .
N1I C2I N3I 119.8(10) . .
O2I C2I N3I 118.5(11) . .
Ag5 N3I C2I 117.2(7) . .
Ag5 N3I C4I 123.7(8) . .
C2I N3I C4I 119.1(10) . .
N3I C4I N4I 116.3(10) . .
N3I C4I C5I 122.1(10) . .
N4I C4I C5I 121.5(10) . .
C4I N4I H4I1 120.0 . .
C4I N4I H4I2 120.0 . .
H4I1 N4I H4I2 120.0 . .
C4I C5I H5I 121.9 . .
C4I C5I C6I 116.3(11) . .
H5I C5I C6I 121.9 . .
N1I C6I C5I 123.7(12) . .
N1I C6I H6I 118.1 . .
C5I C6I H6I 118.1 . .
N1I C1'I H1'I 109.0 . .
N1I C1'I O1'I 109.2(13) . .
N1I C1'I C2'I 114.6(13) . .
H1'I C1'I O1'I 109.0 . .
H1'I C1'I C2'I 109.0 . .
O1'I C1'I C2'I 106.0(11) . .
C1'I O1'I C4'I 110.0(11) . .
C1'I C2'I H2'S 109.5 . .
C1'I C2'I O2'I 112.9(16) . .
C1'I C2'I C3'I 100.9(11) . .
H2'S C2'I O2'I 109.5 . .
H2'S C2'I C3'I 109.5 . .
O2'I C2'I C3'I 114.4(14) . .
C2'I O2'I H2'I 107.3 . .
C2'I C3'I H3'S 109.3 . .
C2'I C3'I O3'I 115.4(15) . .
C2'I C3'I C4'I 108.3(12) . .
H3'S C3'I O3'I 109.3 . .
H3'S C3'I C4'I 109.3 . .
O3'I C3'I C4'I 105.2(14) . .
C3'I O3'I H3'I 107.2 . .
O1'I C4'I C3'I 102.7(11) . .
O1'I C4'I H4'I 108.1 . .
O1'I C4'I C5'I 112.2(15) . .
C3'I C4'I H4'I 108.1 . .
C3'I C4'I C5'I 117.3(16) . .
H4'I C4'I C5'I 108.1 . .
C4'I C5'I H5'R 110.5 . .
C4'I C5'I H5'S 110.5 . .
C4'I C5'I O5'I 106.1(15) . .
H5'R C5'I H5'S 108.7 . .
H5'R C5'I O5'I 110.5 . .
H5'S C5'I O5'I 110.5 . .
C5'I O5'I H5'I 107.6 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 Ag2 3.0160(17) .
Ag1 Ag5 3.0552(15) 1_554
Ag1 N3 2.075(11) .
Ag1 N3A 2.109(10) .
Ag2 Ag3 2.9820(18) .
Ag2 N3B 2.096(11) .
Ag2 N3C 2.106(11) .
Ag3 Ag4 2.9981(18) .
Ag3 N3D 2.111(11) .
Ag3 N3E 2.109(12) .
Ag4 Ag5 3.0484(16) .
Ag4 N3F 2.138(11) .
Ag4 N3G 2.107(12) .
Ag5 N3H 2.114(10) .
Ag5 N3I 2.080(11) .
N1 C2 1.387(11) .
N1 C6 1.339(12) .
N1 C1' 1.476(12) .
C2 O2 1.244(10) .
C2 N3 1.343(11) .
N3 C4 1.357(11) .
C4 N4 1.337(11) .
C4 C5 1.407(12) .
N4 H41 0.880 .
N4 H42 0.880 .
C5 H5 0.950 .
C5 C6 1.353(12) .
C6 H6 0.950 .
C1' H1' 1.000 .
C1' O1' 1.372(12) .
C1' C2' 1.578(14) .
O1' C4' 1.513(14) .
C2' H2'J 1.000 .
C2' O2' 1.387(13) .
C2' C3' 1.424(14) .
O2' H2' 0.8399 .
C3' H3'J 1.000 .
C3' O3' 1.495(14) .
C3' C4' 1.499(15) .
O3' H3' 0.840 .
C4' H4' 1.000 .
C4' C5' 1.462(16) .
C5' H5'1 0.990 .
C5' H5'2 0.990 .
C5' O5' 1.403(15) .
O5' H5' 0.8398 .
N1A C2A 1.379(10) .
N1A C6A 1.350(11) .
N1A C1'A 1.474(12) .
C2A O2A 1.233(10) .
C2A N3A 1.346(11) .
N3A C4A 1.352(11) .
C4A N4A 1.334(11) .
C4A C5A 1.411(11) .
N4A H4A1 0.880 .
N4A H4A2 0.880 .
C5A H5A 0.950 .
C5A C6A 1.338(12) .
C6A H6A 0.950 .
C1'A H1'A 1.000 .
C1'A O1'A 1.380(12) .
C1'A C2'A 1.573(14) .
O1'A C4'A 1.512(13) .
C2'A H2'K 1.000 .
C2'A O2'A 1.384(13) .
C2'A C3'A 1.423(14) .
O2'A H2'A 0.8398 .
C3'A H3'K 1.000 .
C3'A O3'A 1.488(13) .
C3'A C4'A 1.499(15) .
O3'A H3'A 0.8399 .
C4'A H4'A 1.000 .
C4'A C5'A 1.456(15) .
C5'A H5'3 0.990 .
C5'A H5'4 0.990 .
C5'A O5'A 1.391(15) .
O5'A H5'A 0.8399 .
N1B C2B 1.387(11) .
N1B C6B 1.343(11) .
N1B C1'B 1.467(12) .
C2B O2B 1.244(10) .
C2B N3B 1.336(11) .
N3B C4B 1.352(11) .
C4B N4B 1.345(11) .
C4B C5B 1.407(12) .
N4B H4B1 0.880 .
N4B H4B2 0.880 .
C5B H5B 0.950 .
C5B C6B 1.347(12) .
C6B H6B 0.950 .
C1'B H1'B 1.000 .
C1'B O1'B 1.378(12) .
C1'B C2'B 1.577(14) .
O1'B C4'B 1.506(13) .
C2'B H2'L 1.000 .
C2'B O2'B 1.401(13) .
C2'B C3'B 1.416(14) .
O2'B H2'B 0.8401 .
C3'B H3'L 1.000 .
C3'B O3'B 1.479(14) .
C3'B C4'B 1.501(15) .
O3'B H3'B 0.8401 .
C4'B H4'B 1.000 .
C4'B C5'B 1.462(15) .
C5'B H5'5 0.990 .
C5'B H5'6 0.990 .
C5'B O5'B 1.396(15) .
O5'B H5'B 0.8401 .
N1C C2C 1.386(11) .
N1C C6C 1.343(11) .
N1C C1'C 1.472(12) .
C2C O2C 1.230(11) .
C2C N3C 1.326(11) .
N3C C4C 1.354(11) .
C4C N4C 1.333(11) .
C4C C5C 1.402(12) .
N4C H4C1 0.880 .
N4C H4C2 0.880 .
C5C H5C 0.950 .
C5C C6C 1.349(12) .
C6C H6C 0.950 .
C1'C H1'C 1.000 .
C1'C O1'C 1.368(12) .
C1'C C2'C 1.576(14) .
O1'C C4'C 1.515(14) .
C2'C H2'M 1.000 .
C2'C O2'C 1.377(13) .
C2'C C3'C 1.420(14) .
O2'C H2'C 0.8399 .
C3'C H3'M 1.000 .
C3'C O3'C 1.489(14) .
C3'C C4'C 1.492(15) .
O3'C H3'C 0.840 .
C4'C H4'C 1.000 .
C4'C C5'C 1.460(16) .
C5'C H5'7 0.990 .
C5'C H5'8 0.990 .
C5'C O5'C 1.400(15) .
O5'C H5'C 0.8401 .
N1D C2D 1.397(11) .
N1D C6D 1.342(11) .
N1D C1'D 1.469(12) .
C2D O2D 1.240(11) .
C2D N3D 1.341(11) .
N3D C4D 1.353(11) .
C4D N4D 1.335(11) .
C4D C5D 1.415(11) .
N4D H4D1 0.880 .
N4D H4D2 0.880 .
C5D H5D 0.950 .
C5D C6D 1.343(12) .
C6D H6D 0.950 .
C1'D H1'D 1.000 .
C1'D O1'D 1.381(11) .
C1'D C2'D 1.583(14) .
O1'D C4'D 1.527(13) .
C2'D H2'N 1.000 .
C2'D O2'D 1.391(13) .
C2'D C3'D 1.427(14) .
O2'D H2'D 0.840 .
C3'D H3'N 1.000 .
C3'D O3'D 1.481(13) .
C3'D C4'D 1.499(15) .
O3'D H3'D 0.840 .
C4'D H4'D 1.000 .
C4'D C5'D 1.452(15) .
C5'D H5'9 0.990 .
C5'D H5'0 0.990 .
C5'D O5'D 1.398(14) .
O5'D H5'D 0.8399 .
N1E C2E 1.397(11) .
N1E C6E 1.340(12) .
N1E C1'E 1.474(13) .
C2E O2E 1.231(11) .
C2E N3E 1.330(11) .
N3E C4E 1.348(11) .
C4E N4E 1.333(12) .
C4E C5E 1.408(12) .
N4E H4E1 0.880 .
N4E H4E2 0.880 .
C5E H5E 0.950 .
C5E C6E 1.357(13) .
C6E H6E 0.950 .
C1'E H1'E 1.000 .
C1'E O1'E 1.374(12) .
C1'E C2'E 1.588(15) .
O1'E C4'E 1.517(14) .
C2'E H2'O 1.000 .
C2'E O2'E 1.388(14) .
C2'E C3'E 1.427(15) .
O2'E H2'E 0.840 .
C3'E H3'O 1.000 .
C3'E O3'E 1.493(14) .
C3'E C4'E 1.506(16) .
O3'E H3'E 0.8401 .
C4'E H4'E 1.000 .
C4'E C5'E 1.452(16) .
C5'E H5'J 0.990 .
C5'E H5'K 0.990 .
C5'E O5'E 1.399(16) .
O5'E H5'E 0.840 .
N1F C2F 1.393(10) .
N1F C6F 1.347(11) .
N1F C1'F 1.473(12) .
C2F O2F 1.242(10) .
C2F N3F 1.335(11) .
N3F C4F 1.361(11) .
C4F N4F 1.333(11) .
C4F C5F 1.407(12) .
N4F H4F1 0.880 .
N4F H4F2 0.880 .
C5F H5F 0.950 .
C5F C6F 1.344(12) .
C6F H6F 0.950 .
C1'F H1'F 1.000 .
C1'F O1'F 1.373(11) .
C1'F C2'F 1.581(13) .
O1'F C4'F 1.509(12) .
C2'F H2'P 1.000 .
C2'F O2'F 1.373(12) .
C2'F C3'F 1.411(13) .
O2'F H2'F 0.8399 .
C3'F H3'P 1.000 .
C3'F O3'F 1.490(13) .
C3'F C4'F 1.495(15) .
O3'F H3'F 0.8399 .
C4'F H4'F 1.000 .
C4'F C5'F 1.452(15) .
C5'F H5'L 0.990 .
C5'F H5'M 0.990 .
C5'F O5'F 1.393(15) .
O5'F H5'F 0.840 .
N1G C2G 1.393(11) .
N1G C6G 1.350(11) .
N1G C1'G 1.469(12) .
C2G O2G 1.243(11) .
C2G N3G 1.335(12) .
N3G C4G 1.350(11) .
C4G N4G 1.345(12) .
C4G C5G 1.411(12) .
N4G H4G1 0.880 .
N4G H4G2 0.880 .
C5G H5G 0.950 .
C5G C6G 1.337(13) .
C6G H6G 0.950 .
C1'G H1'G 1.000 .
C1'G O1'G 1.377(12) .
C1'G C2'G 1.584(15) .
O1'G C4'G 1.522(14) .
C2'G H2'Q 1.000 .
C2'G O2'G 1.379(14) .
C2'G C3'G 1.422(15) .
O2'G H2'G 0.840 .
C3'G H3'Q 1.000 .
C3'G O3'G 1.492(14) .
C3'G C4'G 1.491(15) .
O3'G H3'G 0.8398 .
C4'G H4'G 1.000 .
C4'G C5'G 1.459(16) .
C5'G H5'N 0.990 .
C5'G H5'O 0.990 .
C5'G O5'G 1.385(15) .
O5'G H5'G 0.840 .
N1H C2H 1.390(10) .
N1H C6H 1.339(11) .
N1H C1'H 1.472(11) .
C2H O2H 1.244(10) .
C2H N3H 1.340(11) .
N3H C4H 1.350(11) .
C4H N4H 1.346(11) .
C4H C5H 1.411(12) .
N4H H4H1 0.880 .
N4H H4H2 0.880 .
C5H H5H 0.950 .
C5H C6H 1.353(12) .
C6H H6H 0.950 .
C1'H H1'H 1.000 .
C1'H O1'H 1.379(11) .
C1'H C2'H 1.588(13) .
O1'H C4'H 1.514(12) .
C2'H H2'R 1.000 .
C2'H O2'H 1.385(12) .
C2'H C3'H 1.421(13) .
O2'H H2'H 0.840 .
C3'H H3'R 1.000 .
C3'H O3'H 1.478(13) .
C3'H C4'H 1.496(14) .
O3'H H3'H 0.840 .
C4'H H4'H 1.000 .
C4'H C5'H 1.462(15) .
C5'H H5'P 0.990 .
C5'H H5'Q 0.990 .
C5'H O5'H 1.392(15) .
O5'H H5'H 0.840 .
N1I C2I 1.392(11) .
N1I C6I 1.344(11) .
N1I C1'I 1.480(12) .
C2I O2I 1.240(10) .
C2I N3I 1.351(11) .
N3I C4I 1.362(11) .
C4I N4I 1.332(11) .
C4I C5I 1.398(11) .
N4I H4I1 0.880 .
N4I H4I2 0.880 .
C5I H5I 0.950 .
C5I C6I 1.337(12) .
C6I H6I 0.950 .
C1'I H1'I 1.000 .
C1'I O1'I 1.378(12) .
C1'I C2'I 1.579(15) .
O1'I C4'I 1.507(14) .
C2'I H2'S 1.000 .
C2'I O2'I 1.384(13) .
C2'I C3'I 1.423(14) .
O2'I H2'I 0.8401 .
C3'I H3'S 1.000 .
C3'I O3'I 1.491(14) .
C3'I C4'I 1.496(15) .
O3'I H3'I 0.840 .
C4'I H4'I 1.000 .
C4'I C5'I 1.453(16) .
C5'I H5'R 0.990 .
C5'I H5'S 0.990 .
C5'I O5'I 1.396(15) .
O5'I H5'I 0.8397 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
N4 H41 O2H 0.88 2.15 3.020(17) 171 1_554 yes
O2' H2' O3'A 0.84 2.35 2.90(3) 124 3_565 yes
N4A H4A1 O2B 0.88 2.06 2.920(17) 167 . yes
O2'A H2'A O3'D 0.84 1.96 2.70(2) 147 2_664 yes
O3'A H3'A O2'D 0.84 2.45 3.13(3) 138 2_664 yes
O5'A H5'A O1'A 0.84 2.43 2.83(3) 110 . yes
N4B H4B1 O2D 0.88 2.00 2.870(18) 170 . yes
O3'B H3'B O2'G 0.84 2.17 2.74(3) 125 2_654 yes
N4C H4C1 O2 0.88 2.00 2.873(18) 171 . yes
N4D H4D1 O2G 0.88 2.07 2.929(17) 167 . yes
O2'D H2'D O2' 0.84 1.95 2.48(3) 120 . yes
N4E H4E1 O2C 0.88 2.15 3.013(19) 166 . yes
N4F H4F1 O2E 0.88 2.12 2.988(19) 172 . yes
N4G H4G1 O2I 0.88 2.12 2.997(19) 171 . yes
N4H H4H1 O2F 0.88 2.14 3.005(16) 168 . yes
O2'H H2'H O5'H 0.84 1.95 2.64(3) 139 2_654 yes
O5'H H5'H O5'G 0.84 1.71 2.49(4) 153 3_665 yes
N4I H4I1 O2A 0.88 2.11 2.950(17) 161 1_556 yes
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
C6 N1 C2 O2 -175(2)
C6 N1 C2 N3 8(3)
C1' N1 C2 O2 -4(3)
C1' N1 C2 N3 178.7(15)
N1 C2 N3 Ag1 -179.4(13)
N1 C2 N3 C4 -4(2)
O2 C2 N3 Ag1 4(2)
O2 C2 N3 C4 178.8(16)
Ag1 N3 C4 N4 -2(2)
Ag1 N3 C4 C5 179.8(15)
C2 N3 C4 N4 -175.9(16)
C2 N3 C4 C5 5(3)
N3 C4 C5 C6 -10(3)
N4 C4 C5 C6 172(2)
C2 N1 C6 C5 -13(4)
C1' N1 C6 C5 177(2)
C4 C5 C6 N1 13(4)
C2 N1 C1' O1' -161.0(16)
C2 N1 C1' C2' 78.7(19)
C6 N1 C1' O1' 9(3)
C6 N1 C1' C2' -111(2)
N1 C1' O1' C4' -122.2(17)
C2' C1' O1' C4' 1(2)
N1 C1' C2' O2' -144.5(15)
N1 C1' C2' C3' 95.6(15)
O1' C1' C2' O2' 95.4(17)
O1' C1' C2' C3' -24.5(18)
C1' C2' C3' O3' 152.6(15)
C1' C2' C3' C4' 38.0(16)
O2' C2' C3' O3' 32(2)
O2' C2' C3' C4' -83.0(19)
C2' C3' C4' O1' -38.7(19)
C2' C3' C4' C5' -160.3(18)
O3' C3' C4' O1' -157.8(17)
O3' C3' C4' C5' 81(2)
C1' O1' C4' C3' 22(2)
C1' O1' C4' C5' 148.5(18)
O1' C4' C5' O5' -72(3)
C3' C4' C5' O5' 45(4)
C6A N1A C2A O2A 178.5(15)
C6A N1A C2A N3A -5(2)
C1'A N1A C2A O2A 2(2)
C1'A N1A C2A N3A 178.5(13)
N1A C2A N3A Ag1 -172.9(11)
N1A C2A N3A C4A 5(2)
O2A C2A N3A Ag1 3.2(19)
O2A C2A N3A C4A -179.1(14)
Ag1 N3A C4A N4A -4.2(19)
Ag1 N3A C4A C5A 176.1(11)
C2A N3A C4A N4A 178.3(13)
C2A N3A C4A C5A -1(2)
N3A C4A C5A C6A -1(2)
N4A C4A C5A C6A 178.9(16)
C4A C5A C6A N1A 1(3)
C2A N1A C6A C5A 3(3)
C1'A N1A C6A C5A 178.7(16)
C2A N1A C1'A O1'A -132.3(15)
C2A N1A C1'A C2'A 112.4(15)
C6A N1A C1'A O1'A 51.7(19)
C6A N1A C1'A C2'A -63.6(18)
N1A C1'A O1'A C4'A -146.0(13)
C2'A C1'A O1'A C4'A -25.7(17)
N1A C1'A C2'A O2'A -81.2(17)
N1A C1'A C2'A C3'A 153.7(12)
O1'A C1'A C2'A O2'A 161.4(15)
O1'A C1'A C2'A C3'A 36.3(15)
C1'A C2'A C3'A O3'A 84.3(16)
C1'A C2'A C3'A C4'A -32.6(16)
O2'A C2'A C3'A O3'A -37(2)
O2'A C2'A C3'A C4'A -153.9(17)
C2'A C3'A C4'A O1'A 18.4(18)
C2'A C3'A C4'A C5'A -104.2(18)
O3'A C3'A C4'A O1'A -102.8(16)
O3'A C3'A C4'A C5'A 134.7(17)
C1'A O1'A C4'A C3'A 6.2(18)
C1'A O1'A C4'A C5'A 134.2(16)
O1'A C4'A C5'A O5'A -67(3)
C3'A C4'A C5'A O5'A 53(3)
C6B N1B C2B O2B -175.4(17)
C6B N1B C2B N3B 0(3)
C1'B N1B C2B O2B -1(2)
C1'B N1B C2B N3B 174.2(15)
N1B C2B N3B Ag2 -173.1(12)
N1B C2B N3B C4B 3(2)
O2B C2B N3B Ag2 2(2)
O2B C2B N3B C4B 177.8(16)
Ag2 N3B C4B N4B -6(2)
Ag2 N3B C4B C5B 178.0(13)
C2B N3B C4B N4B 178.5(15)
C2B N3B C4B C5B 2(3)
N3B C4B C5B C6B -10(3)
N4B C4B C5B C6B 174.1(18)
C2B N1B C6B C5B -8(3)
C1'B N1B C6B C5B 177.6(17)
C4B C5B C6B N1B 13(3)
C2B N1B C1'B O1'B -139.3(16)
C2B N1B C1'B C2'B 96.7(17)
C6B N1B C1'B O1'B 35(2)
C6B N1B C1'B C2'B -89(2)
N1B C1'B O1'B C4'B -136.8(15)
C2'B C1'B O1'B C4'B -7.6(19)
N1B C1'B C2'B O2'B -131.7(17)
N1B C1'B C2'B C3'B 107.8(16)
O1'B C1'B C2'B O2'B 104.0(18)
O1'B C1'B C2'B C3'B -16.5(18)
C1'B C2'B C3'B O3'B 150.5(17)
C1'B C2'B C3'B C4'B 34.4(17)
O2'B C2'B C3'B O3'B 34(2)
O2'B C2'B C3'B C4'B -82(2)
C2'B C3'B C4'B O1'B -39.4(18)
C2'B C3'B C4'B C5'B -157.8(17)
O3'B C3'B C4'B O1'B -162.2(17)
O3'B C3'B C4'B C5'B 79(2)
C1'B O1'B C4'B C3'B 27.4(19)
C1'B O1'B C4'B C5'B 151.7(17)
O1'B C4'B C5'B O5'B -60(3)
C3'B C4'B C5'B O5'B 53(3)
C6C N1C C2C O2C -176(2)
C6C N1C C2C N3C -1(3)
C1'C N1C C2C O2C -1(3)
C1'C N1C C2C N3C 173.1(16)
N1C C2C N3C Ag2 -175.6(13)
N1C C2C N3C C4C 5(3)
O2C C2C N3C Ag2 -2(2)
O2C C2C N3C C4C 178.3(17)
Ag2 N3C C4C N4C 2(2)
Ag2 N3C C4C C5C -178.8(14)
C2C N3C C4C N4C -178.4(16)
C2C N3C C4C C5C 1(3)
N3C C4C C5C C6C -9(3)
N4C C4C C5C C6C 170.0(19)
C2C N1C C6C C5C -8(3)
C1'C N1C C6C C5C 178(2)
C4C C5C C6C N1C 13(3)
C2C N1C C1'C O1'C -165.5(16)
C2C N1C C1'C C2'C 74.7(19)
C6C N1C C1'C O1'C 9(3)
C6C N1C C1'C C2'C -111(2)
N1C C1'C O1'C C4'C -117.2(17)
C2'C C1'C O1'C C4'C 5(2)
N1C C1'C C2'C O2'C -142.1(16)
N1C C1'C C2'C C3'C 94.0(16)
O1'C C1'C C2'C O2'C 96.5(18)
O1'C C1'C C2'C C3'C -27.4(17)
C1'C C2'C C3'C O3'C 155.7(16)
C1'C C2'C C3'C C4'C 38.5(16)
O2'C C2'C C3'C O3'C 34(2)
O2'C C2'C C3'C C4'C -83(2)
C2'C C3'C C4'C O1'C -36.3(19)
C2'C C3'C C4'C C5'C -159.5(18)
O3'C C3'C C4'C O1'C -156.0(17)
O3'C C3'C C4'C C5'C 81(2)
C1'C O1'C C4'C C3'C 18(2)
C1'C O1'C C4'C C5'C 143.6(17)
O1'C C4'C C5'C O5'C -72(3)
C3'C C4'C C5'C O5'C 45(3)
C6D N1D C2D O2D -179.6(18)
C6D N1D C2D N3D -5(3)
C1'D N1D C2D O2D 7(3)
C1'D N1D C2D N3D -179.0(16)
N1D C2D N3D Ag3 -177.8(13)
N1D C2D N3D C4D 4(3)
O2D C2D N3D Ag3 -4(2)
O2D C2D N3D C4D 178.2(17)
Ag3 N3D C4D N4D 4(2)
Ag3 N3D C4D C5D 178.1(13)
C2D N3D C4D N4D -178.2(16)
C2D N3D C4D C5D -4(3)
N3D C4D C5D C6D 5(3)
N4D C4D C5D C6D 179.2(19)
C2D N1D C6D C5D 7(3)
C1'D N1D C6D C5D -180.0(18)
C4D C5D C6D N1D -7(3)
C2D N1D C1'D O1'D -164.9(15)
C2D N1D C1'D C2'D 73.4(18)
C6D N1D C1'D O1'D 22(2)
C6D N1D C1'D C2'D -99.9(18)
N1D C1'D O1'D C4'D -117.8(14)
C2'D C1'D O1'D C4'D 8.9(16)
N1D C1'D C2'D O2'D -149.5(13)
N1D C1'D C2'D C3'D 91.6(14)
O1'D C1'D C2'D O2'D 86.0(16)
O1'D C1'D C2'D C3'D -32.9(14)
C1'D C2'D C3'D O3'D 164.9(14)
C1'D C2'D C3'D C4'D 44.2(14)
O2'D C2'D C3'D O3'D 45.1(19)
O2'D C2'D C3'D C4'D -75.6(16)
C2'D C3'D C4'D O1'D -40.0(15)
C2'D C3'D C4'D C5'D -159.1(15)
O3'D C3'D C4'D O1'D -164.3(14)
O3'D C3'D C4'D C5'D 76.6(19)
C1'D O1'D C4'D C3'D 17.3(16)
C1'D O1'D C4'D C5'D 142.4(14)
O1'D C4'D C5'D O5'D -62(2)
C3'D C4'D C5'D O5'D 52(2)
C6E N1E C2E O2E -179(2)
C6E N1E C2E N3E 6(3)
C1'E N1E C2E O2E -4(3)
C1'E N1E C2E N3E -179.2(18)
N1E C2E N3E Ag3 174.9(15)
N1E C2E N3E C4E -3(3)
O2E C2E N3E Ag3 0(3)
O2E C2E N3E C4E -179(2)
Ag3 N3E C4E N4E 9(3)
Ag3 N3E C4E C5E 179.1(17)
C2E N3E C4E N4E -173(2)
C2E N3E C4E C5E -3(3)
N3E C4E C5E C6E 7(4)
N4E C4E C5E C6E 177(2)
C2E N1E C6E C5E -2(4)
C1'E N1E C6E C5E -176(2)
C4E C5E C6E N1E -4(4)
C2E N1E C1'E O1'E -161.8(18)
C2E N1E C1'E C2'E 78(2)
C6E N1E C1'E O1'E 13(3)
C6E N1E C1'E C2'E -107(2)
N1E C1'E O1'E C4'E -115(2)
C2'E C1'E O1'E C4'E 7(2)
N1E C1'E C2'E O2'E -151.1(19)
N1E C1'E C2'E C3'E 89.5(17)
O1'E C1'E C2'E O2'E 87(2)
O1'E C1'E C2'E C3'E -32.0(19)
C1'E C2'E C3'E O3'E 158.5(19)
C1'E C2'E C3'E C4'E 43.2(17)
O2'E C2'E C3'E O3'E 41(3)
O2'E C2'E C3'E C4'E -75(2)
C2'E C3'E C4'E O1'E -41(2)
C2'E C3'E C4'E C5'E -162.7(19)
O3'E C3'E C4'E O1'E -159(2)
O3'E C3'E C4'E C5'E 79(2)
C1'E O1'E C4'E C3'E 19(2)
C1'E O1'E C4'E C5'E 146.6(19)
O1'E C4'E C5'E O5'E -60(3)
C3'E C4'E C5'E O5'E 57(3)
C6F N1F C2F O2F -175.2(16)
C6F N1F C2F N3F 4(2)
C1'F N1F C2F O2F -1(2)
C1'F N1F C2F N3F 178.9(13)
N1F C2F N3F Ag4 -175.4(11)
N1F C2F N3F C4F 0(2)
O2F C2F N3F Ag4 4(2)
O2F C2F N3F C4F 180.0(16)
Ag4 N3F C4F N4F 0(2)
Ag4 N3F C4F C5F 168.9(13)
C2F N3F C4F N4F -175.1(16)
C2F N3F C4F C5F -6(3)
N3F C4F C5F C6F 7(3)
N4F C4F C5F C6F 175.4(18)
C4F C5F C6F N1F -2(3)
C2F N1F C6F C5F -4(3)
C1'F N1F C6F C5F -177.8(17)
C2F N1F C1'F O1'F -129.6(14)
C2F N1F C1'F C2'F 114.7(15)
C6F N1F C1'F O1'F 44.7(19)
C6F N1F C1'F C2'F -71.0(18)
N1F C1'F O1'F C4'F -145.3(12)
C2'F C1'F O1'F C4'F -23.6(15)
N1F C1'F C2'F O2'F -77.7(16)
N1F C1'F C2'F C3'F 155.2(12)
O1'F C1'F C2'F O2'F 164.9(14)
O1'F C1'F C2'F C3'F 37.9(14)
C1'F C2'F C3'F O3'F 80.9(14)
C1'F C2'F C3'F C4'F -37.1(14)
O2'F C2'F C3'F O3'F -40.3(19)
O2'F C2'F C3'F C4'F -158.3(15)
C2'F C3'F C4'F O1'F 24.4(16)
C2'F C3'F C4'F C5'F -98.8(16)
O3'F C3'F C4'F O1'F -97.8(14)
O3'F C3'F C4'F C5'F 139.0(15)
C1'F O1'F C4'F C3'F 1.5(16)
C1'F O1'F C4'F C5'F 132.2(15)
O1'F C4'F C5'F O5'F -62(2)
C3'F C4'F C5'F O5'F 58(2)
C6G N1G C2G O2G 177(2)
C6G N1G C2G N3G -9(3)
C1'G N1G C2G O2G 8(3)
C1'G N1G C2G N3G -177.9(18)
N1G C2G N3G Ag4 -177.9(15)
N1G C2G N3G C4G 5(3)
O2G C2G N3G Ag4 -4(3)
O2G C2G N3G C4G 179.0(18)
Ag4 N3G C4G N4G -1(3)
Ag4 N3G C4G C5G -172.4(14)
C2G N3G C4G N4G 176.4(18)
C2G N3G C4G C5G 5(3)
N3G C4G C5G C6G -10(3)
N4G C4G C5G C6G 178(2)
C4G C5G C6G N1G 6(4)
C2G N1G C6G C5G 3(3)
C1'G N1G C6G C5G 172(2)
C2G N1G C1'G O1'G -161.5(18)
C2G N1G C1'G C2'G 74(2)
C6G N1G C1'G O1'G 30(3)
C6G N1G C1'G C2'G -95(2)
N1G C1'G O1'G C4'G -122.7(18)
C2'G C1'G O1'G C4'G 4(2)
N1G C1'G C2'G O2'G -140.0(19)
N1G C1'G C2'G C3'G 99.3(17)
O1'G C1'G C2'G O2'G 94(2)
O1'G C1'G C2'G C3'G -27(2)
C1'G C2'G C3'G O3'G 159.6(19)
C1'G C2'G C3'G C4'G 38.5(18)
O2'G C2'G C3'G O3'G 39(3)
O2'G C2'G C3'G C4'G -82(2)
C2'G C3'G C4'G O1'G -38(2)
C2'G C3'G C4'G C5'G -158.8(19)
O3'G C3'G C4'G O1'G -162(2)
O3'G C3'G C4'G C5'G 77(2)
C1'G O1'G C4'G C3'G 19(2)
C1'G O1'G C4'G C5'G 143.7(17)
O1'G C4'G C5'G O5'G -76(3)
C3'G C4'G C5'G O5'G 41(3)
C6H N1H C2H O2H 180.0(15)
C6H N1H C2H N3H 7(2)
C1'H N1H C2H O2H -6(2)
C1'H N1H C2H N3H -178.8(12)
N1H C2H N3H Ag5 -176.4(10)
N1H C2H N3H C4H -7(2)
O2H C2H N3H Ag5 10.3(19)
O2H C2H N3H C4H 179.9(14)
Ag5 N3H C4H N4H -3(2)
Ag5 N3H C4H C5H 171.7(12)
C2H N3H C4H N4H -171.5(14)
C2H N3H C4H C5H 3(2)
N3H C4H C5H C6H 0(3)
N4H C4H C5H C6H 175.1(16)
C2H N1H C6H C5H -3(2)
C1'H N1H C6H C5H -177.4(14)
C4H C5H C6H N1H 0(3)
C2H N1H C1'H O1'H -124.1(13)
C2H N1H C1'H C2'H 119.7(13)
C6H N1H C1'H O1'H 50.3(17)
C6H N1H C1'H C2'H -65.8(17)
N1H C1'H O1'H C4'H -142.4(11)
C2'H C1'H O1'H C4'H -21.8(15)
N1H C1'H C2'H O2'H -79.7(15)
N1H C1'H C2'H C3'H 155.6(11)
O1'H C1'H C2'H O2'H 162.6(12)
O1'H C1'H C2'H C3'H 37.9(13)
C1'H C2'H C3'H O3'H 79.6(13)
C1'H C2'H C3'H C4'H -38.9(13)
O2'H C2'H C3'H O3'H -40.2(17)
O2'H C2'H C3'H C4'H -158.7(13)
C2'H C3'H C4'H O1'H 27.7(15)
C2'H C3'H C4'H C5'H -91.5(15)
O3'H C3'H C4'H O1'H -94.7(13)
O3'H C3'H C4'H C5'H 146.1(13)
C1'H O1'H C4'H C3'H -1.6(15)
C1'H O1'H C4'H C5'H 123.7(15)
O1'H C4'H C5'H O5'H 164.3(18)
C3'H C4'H C5'H O5'H -79(2)
C6I N1I C2I O2I -175.8(18)
C6I N1I C2I N3I -2(3)
C1'I N1I C2I O2I 4(3)
C1'I N1I C2I N3I 177.2(15)
N1I C2I N3I Ag5 -173.7(12)
N1I C2I N3I C4I 4(2)
O2I C2I N3I Ag5 0(2)
O2I C2I N3I C4I 177.7(15)
Ag5 N3I C4I N4I -2.3(19)
Ag5 N3I C4I C5I 174.6(12)
C2I N3I C4I N4I -179.7(14)
C2I N3I C4I C5I -3(2)
N3I C4I C5I C6I 0(3)
N4I C4I C5I C6I 176.6(16)
C4I C5I C6I N1I 2(3)
C2I N1I C6I C5I -1(3)
C1'I N1I C6I C5I 179.7(17)
C2I N1I C1'I O1'I -126.2(18)
C2I N1I C1'I C2'I 115.0(18)
C6I N1I C1'I O1'I 53(2)
C6I N1I C1'I C2'I -66(2)
N1I C1'I O1'I C4'I -139.8(16)
C2'I C1'I O1'I C4'I -16(2)
N1I C1'I C2'I O2'I -86(2)
N1I C1'I C2'I C3'I 151.7(15)
O1'I C1'I C2'I O2'I 153.7(18)
O1'I C1'I C2'I C3'I 31.2(18)
C1'I C2'I C3'I O3'I 83.0(19)
C1'I C2'I C3'I C4'I -34.6(18)
O2'I C2'I C3'I O3'I -38(2)
O2'I C2'I C3'I C4'I -156.0(19)
C2'I C3'I C4'I O1'I 26.2(19)
C2'I C3'I C4'I C5'I -97(2)
O3'I C3'I C4'I O1'I -97.7(19)
O3'I C3'I C4'I C5'I 138.7(19)
C1'I O1'I C4'I C3'I -5(2)
C1'I O1'I C4'I C5'I 122.1(19)
O1'I C4'I C5'I O5'I -69(3)
C3'I C4'I C5'I O5'I 49(3)
