#------------------------------------------------------------------------------
#$Date: 2019-11-02 04:55:57 +0200 (Sat, 02 Nov 2019) $
#$Revision: 220637 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/12/73/4127355.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_4127355
loop_
_publ_author_name
'Carpenter, John P.'
'McTernan, Charlie T.'
'Ronson, Tanya K.'
'Nitschke, Jonathan R.'
_publ_section_title
;
 Anion Pairs Template a Trigonal Prism with Disilver Vertices.
;
_journal_issue                   29
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              11409
_journal_page_last               11413
_journal_paper_doi               10.1021/jacs.9b05432
_journal_volume                  141
_journal_year                    2019
_chemical_formula_moiety
;        
'C270 H180 Ag12 N60, 10(C2 F6 N O4 S2), 2(H O4 S), 13(C2 H3 N)'
;
_chemical_formula_sum            'C325 H242 Ag12 F60 N83 O49.5 S22'
_chemical_formula_weight         9241.76
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2018/3
_cell_angle_alpha                90
_cell_angle_beta                 93.2690(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   43.3421(4)
_cell_length_b                   32.8367(2)
_cell_length_c                   27.6735(2)
_cell_measurement_reflns_used    42185
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      23.461985058
_cell_measurement_theta_min      1.49243917837
_cell_volume                     39321.2(5)
_computing_cell_refinement
'DIALS 2theta refinement, DIALS 1.12.1-g84e9f68aa-release'
_computing_data_collection       'Diamond GDA'
_computing_data_reduction
;
aimless (Evans, P. R. and Murshudov, G. N., 2013)
ccp4 (Winn, M. D. et al., 2011)
DIALS 1.12.1-g84e9f68aa-release (Winter, G. et al., 2018)
pointless (Evans, P., 2006)
XIA2 0.5.757-g89e4ddb2-dials-1.12 (Winter, G., 2010)
;
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/4 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'Photon counting pixel array'
_diffrn_measured_fraction_theta_full 0.969
_diffrn_measured_fraction_theta_max 0.941
_diffrn_measurement_device       'Fixed χ 3-circle diffractometer'
_diffrn_measurement_device_type  'Fluid Film Devices'
_diffrn_measurement_method       'shutterless scans'
_diffrn_measurement_specimen_support 'MiTeGen MicroMount'
_diffrn_radiation_monochromator  'Silicon 111'
_diffrn_radiation_source         'Diamond Light Source Beamline I19-1'
_diffrn_radiation_type           Synchrotron
_diffrn_radiation_wavelength     0.6889
_diffrn_reflns_av_R_equivalents  0.0446
_diffrn_reflns_av_unetI/netI     0.0542
_diffrn_reflns_Laue_measured_fraction_full 0.969
_diffrn_reflns_Laue_measured_fraction_max 0.941
_diffrn_reflns_limit_h_max       56
_diffrn_reflns_limit_h_min       -52
_diffrn_reflns_limit_k_max       42
_diffrn_reflns_limit_k_min       -41
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            143905
_diffrn_reflns_point_group_measured_fraction_full 0.969
_diffrn_reflns_point_group_measured_fraction_max 0.941
_diffrn_reflns_theta_full        24.415
_diffrn_reflns_theta_max         26.573
_diffrn_reflns_theta_min         1.021
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.729
_exptl_absorpt_correction_T_max  1.0
_exptl_absorpt_correction_T_min  0.973805583854
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
;
CCP4 7.0.067: AIMLESS, version 0.7.3 : 15/08/18
Scaling & analysis of unmerged intensities, absorption correction using spherical harmonics
;
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.561
_exptl_crystal_description       block
_exptl_crystal_F_000             18500
_exptl_crystal_size_max          0.030
_exptl_crystal_size_mid          0.020
_exptl_crystal_size_min          0.010
_refine_diff_density_max         1.565
_refine_diff_density_min         -1.989
_refine_diff_density_rms         0.132
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.117
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2742
_refine_ls_number_reflns         42439
_refine_ls_number_restraints     5757
_refine_ls_restrained_S_all      1.132
_refine_ls_R_factor_all          0.1192
_refine_ls_R_factor_gt           0.0888
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2773
_refine_ls_wR_factor_ref         0.3047
_reflns_Friedel_coverage         0.000
_reflns_number_gt                26507
_reflns_number_total             42439
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ja9b05432_si_004.cif
_cod_data_source_block           jc7140_sq
_cod_original_formula_sum        'C325 H242 Ag12 F60 N83 O49.50 S22'
_cod_database_code               4127355
_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   0.978
_shelx_estimated_absorpt_t_max   0.993
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.26770(2) 0.14403(2) 0.24347(3) 0.1224(2) Uani 1 1 d . . . . .
Ag2 Ag 0.31251(2) 0.20313(2) 0.27576(2) 0.08993(17) Uani 1 1 d . . . . .
Ag3 Ag 0.53208(2) 0.43189(2) 0.43446(2) 0.07863(15) Uani 1 1 d . . . . .
Ag4 Ag 0.58452(2) 0.48005(2) 0.46658(2) 0.08420(16) Uani 1 1 d . . . . .
Ag5 Ag 0.50642(2) 0.08801(2) 0.47671(2) 0.07038(14) Uani 1 1 d . . . . .
Ag6 Ag 0.50937(2) 0.09632(2) 0.57847(2) 0.07158(14) Uani 1 1 d . . . . .
N1 N 0.26074(16) 0.1430(2) 0.3238(3) 0.133(3) Uani 1 1 d D U . . .
N2 N 0.28220(12) 0.20669(19) 0.3400(2) 0.0987(15) Uani 1 1 d D U . . .
N3 N 0.31973(11) 0.26848(17) 0.3142(2) 0.0903(14) Uani 1 1 d D U . . .
N4 N 0.52118(11) 0.38531(14) 0.36516(16) 0.0745(11) Uani 1 1 d D U . . .
N5 N 0.57016(11) 0.38543(15) 0.43304(19) 0.0828(12) Uani 1 1 d D U . . .
N6 N 0.59703(14) 0.41773(16) 0.4972(2) 0.0962(15) Uani 1 1 d D U . . .
N7 N 0.37915(14) 0.48413(17) 0.0968(2) 0.0958(15) Uani 1 1 d D U . . .
N8 N 0.36926(13) 0.51554(17) 0.0051(2) 0.0933(14) Uani 1 1 d D U . . .
N9 N 0.38520(14) 0.52294(18) -0.0714(2) 0.0971(15) Uani 1 1 d D U . . .
N10 N 0.40666(12) 0.38564(15) 0.26002(18) 0.0858(12) Uani 1 1 d D U . . .
C1 C 0.2451(3) 0.1115(4) 0.3367(5) 0.189(5) Uani 1 1 d D U . . .
H1 H 0.242390 0.089241 0.314871 0.227 Uiso 1 1 calc R U . . .
C2 C 0.2322(3) 0.1094(4) 0.3817(5) 0.218(6) Uani 1 1 d D U . . .
H2 H 0.222411 0.084901 0.390921 0.261 Uiso 1 1 calc R U . . .
C3 C 0.2333(2) 0.1433(3) 0.4144(5) 0.167(4) Uani 1 1 d D U . . .
H3 H 0.223376 0.143179 0.444200 0.200 Uiso 1 1 calc R U . . .
C4 C 0.25004(19) 0.1764(3) 0.3987(4) 0.136(3) Uani 1 1 d D U . . .
C5 C 0.26362(17) 0.1760(3) 0.3550(3) 0.123(3) Uani 1 1 d D U . . .
C6 C 0.2509(2) 0.2141(3) 0.4252(4) 0.148(3) Uani 1 1 d D U . . .
H6 H 0.238843 0.217455 0.452568 0.178 Uiso 1 1 calc R U . . .
C7 C 0.26923(19) 0.2449(3) 0.4106(3) 0.121(2) Uani 1 1 d D U . . .
H7 H 0.271325 0.269776 0.428056 0.145 Uiso 1 1 calc R U . . .
C8 C 0.28510(17) 0.2379(2) 0.3676(3) 0.106(2) Uani 1 1 d D U . . .
C9 C 0.30538(15) 0.2727(2) 0.3542(3) 0.0987(19) Uani 1 1 d D U . . .
H9 H 0.307647 0.296447 0.373665 0.118 Uiso 1 1 calc R U . . .
C10 C 0.34154(13) 0.29884(18) 0.3021(2) 0.0810(14) Uani 1 1 d D U . . .
C11 C 0.35828(13) 0.32185(17) 0.3365(2) 0.0790(13) Uani 1 1 d D U . . .
H11 H 0.355037 0.318166 0.369847 0.095 Uiso 1 1 calc R U . . .
C12 C 0.37975(14) 0.35025(18) 0.3224(2) 0.0805(14) Uani 1 1 d D U . . .
H12 H 0.391048 0.365971 0.346161 0.097 Uiso 1 1 calc R U . . .
C13 C 0.38479(14) 0.35580(18) 0.2734(2) 0.0833(14) Uani 1 1 d D U . . .
C14 C 0.36838(15) 0.3317(2) 0.2391(2) 0.0916(16) Uani 1 1 d D U . . .
H14 H 0.371446 0.335331 0.205696 0.110 Uiso 1 1 calc R U . . .
C15 C 0.34796(15) 0.3029(2) 0.2534(2) 0.0900(16) Uani 1 1 d D U . . .
H15 H 0.338017 0.285521 0.229880 0.108 Uiso 1 1 calc R U . . .
C16 C 0.43582(14) 0.38596(17) 0.2843(2) 0.0798(13) Uani 1 1 d D U . . .
C17 C 0.44948(15) 0.42147(18) 0.3011(2) 0.0826(14) Uani 1 1 d D U . . .
H17 H 0.439336 0.446771 0.295144 0.099 Uiso 1 1 calc R U . . .
C18 C 0.47781(15) 0.42054(18) 0.3265(2) 0.0829(15) Uani 1 1 d D U . . .
H18 H 0.486829 0.445291 0.338118 0.099 Uiso 1 1 calc R U . . .
C19 C 0.49357(13) 0.38369(16) 0.33543(19) 0.0728(12) Uani 1 1 d D U . . .
C20 C 0.48022(14) 0.34769(17) 0.3173(2) 0.0773(13) Uani 1 1 d D U . . .
H20 H 0.490676 0.322473 0.322185 0.093 Uiso 1 1 calc R U . . .
C21 C 0.45179(14) 0.34889(18) 0.2923(2) 0.0824(14) Uani 1 1 d D U . . .
H21 H 0.442786 0.324289 0.280131 0.099 Uiso 1 1 calc R U . . .
C22 C 0.54036(14) 0.35625(18) 0.3657(2) 0.0813(14) Uani 1 1 d D U . . .
H22 H 0.537437 0.334708 0.343014 0.098 Uiso 1 1 calc R U . . .
C23 C 0.56730(14) 0.35518(17) 0.4012(2) 0.0813(14) Uani 1 1 d D U . . .
C24 C 0.58686(15) 0.32134(19) 0.4016(3) 0.0947(17) Uani 1 1 d D U . . .
H24 H 0.584098 0.300496 0.377975 0.114 Uiso 1 1 calc R U . . .
C25 C 0.61029(18) 0.3190(2) 0.4374(3) 0.113(2) Uani 1 1 d D U . . .
H25 H 0.623873 0.296311 0.439144 0.136 Uiso 1 1 calc R U . . .
C26 C 0.61374(18) 0.3505(2) 0.4710(3) 0.110(2) Uani 1 1 d D U . . .
C27 C 0.59396(15) 0.38377(18) 0.4662(2) 0.0888(16) Uani 1 1 d D U . . .
C28 C 0.6366(2) 0.3498(3) 0.5097(4) 0.136(3) Uani 1 1 d D U . . .
H28 H 0.650109 0.327197 0.514250 0.163 Uiso 1 1 calc R U . . .
C29 C 0.6389(2) 0.3826(3) 0.5405(4) 0.141(4) Uani 1 1 d D U . . .
H29 H 0.653703 0.382793 0.567100 0.169 Uiso 1 1 calc R U . . .
C30 C 0.6190(2) 0.4156(2) 0.5320(3) 0.113(2) Uani 1 1 d D U . . .
H30 H 0.621490 0.438307 0.553098 0.135 Uiso 1 1 calc R U . . .
C31 C 0.39931(15) 0.41317(19) 0.2212(2) 0.0877(15) Uani 1 1 d D U . . .
C32 C 0.36857(16) 0.4207(3) 0.2067(3) 0.106(2) Uani 1 1 d D U . . .
H32 H 0.352472 0.408585 0.223607 0.127 Uiso 1 1 calc R U . . .
C33 C 0.36146(16) 0.4461(2) 0.1674(3) 0.102(2) Uani 1 1 d D U . . .
H33 H 0.340451 0.452511 0.159059 0.123 Uiso 1 1 calc R U . . .
C34 C 0.38404(15) 0.4621(2) 0.1403(2) 0.0909(16) Uani 1 1 d D U . . .
C35 C 0.41459(15) 0.4539(2) 0.1556(2) 0.0908(16) Uani 1 1 d D U . . .
H35 H 0.430625 0.465320 0.137900 0.109 Uiso 1 1 calc R U . . .
C36 C 0.42255(15) 0.43007(18) 0.1953(2) 0.0817(14) Uani 1 1 d D U . . .
H36 H 0.443649 0.425288 0.204822 0.098 Uiso 1 1 calc R U . . .
C37 C 0.35354(18) 0.5022(2) 0.0854(2) 0.102(2) Uani 1 1 d D U . . .
H37 H 0.337984 0.503344 0.108161 0.123 Uiso 1 1 calc R U . . .
C38 C 0.34788(18) 0.5211(2) 0.0382(3) 0.105(2) Uani 1 1 d D U . . .
C39 C 0.3204(2) 0.5425(3) 0.0264(3) 0.140(3) Uani 1 1 d D U . . .
H39 H 0.305178 0.544901 0.049675 0.168 Uiso 1 1 calc R U . . .
C40 C 0.3156(2) 0.5591(4) -0.0161(3) 0.145(4) Uani 1 1 d D U . . .
H40 H 0.297975 0.575815 -0.022503 0.174 Uiso 1 1 calc R U . . .
C41 C 0.33645(18) 0.5524(3) -0.0531(3) 0.111(2) Uani 1 1 d D U . . .
C42 C 0.36289(16) 0.5302(2) -0.0402(2) 0.0924(16) Uani 1 1 d D U . . .
C43 C 0.3319(2) 0.5682(3) -0.1016(3) 0.122(3) Uani 1 1 d D U . . .
H43 H 0.314450 0.584534 -0.110929 0.147 Uiso 1 1 calc R U . . .
C44 C 0.35333(18) 0.5587(2) -0.1331(3) 0.111(2) Uani 1 1 d D U . . .
H44 H 0.350569 0.566294 -0.166184 0.133 Uiso 1 1 calc R U . . .
C45 C 0.37980(17) 0.5374(2) -0.1162(3) 0.107(2) Uani 1 1 d D U . . .
H45 H 0.395278 0.532835 -0.138519 0.128 Uiso 1 1 calc R U . . .
N11 N 0.28038(14) 0.1717(2) 0.1723(3) 0.122(2) Uani 1 1 d D U . . .
N12 N 0.33012(12) 0.18703(18) 0.20176(19) 0.0935(14) Uani 1 1 d D U . . .
N13 N 0.36919(11) 0.20307(15) 0.28074(17) 0.0773(11) Uani 1 1 d D U . . .
N14 N 0.48474(12) 0.16106(15) 0.60008(16) 0.0810(12) Uani 1 1 d D U . . .
N15 N 0.51987(12) 0.11159(14) 0.66221(16) 0.0778(11) Uani 1 1 d D U . . .
N16 N 0.54554(12) 0.05160(14) 0.67530(16) 0.0789(12) Uani 1 1 d D U . . .
N17 N 0.47875(11) 0.41765(14) 0.44768(17) 0.0758(11) Uani 1 1 d D U . . .
N18 N 0.50682(12) 0.49234(14) 0.44065(17) 0.0790(11) Uani 1 1 d D U . . .
N19 N 0.55180(13) 0.53051(15) 0.44353(19) 0.0871(13) Uani 1 1 d D U . . .
N20 N 0.43306(13) 0.25706(14) 0.44988(17) 0.0843(13) Uani 1 1 d D U . . .
C51 C 0.2616(2) 0.1678(4) 0.1342(4) 0.164(4) Uani 1 1 d D U . . .
H51 H 0.240125 0.166779 0.139154 0.197 Uiso 1 1 calc R U . . .
C52 C 0.2705(3) 0.1651(5) 0.0864(4) 0.181(5) Uani 1 1 d D U . . .
H52 H 0.255454 0.159145 0.061145 0.217 Uiso 1 1 calc R U . . .
C53 C 0.3015(3) 0.1710(4) 0.0753(4) 0.164(4) Uani 1 1 d D U . . .
H53 H 0.307932 0.171105 0.043039 0.197 Uiso 1 1 calc R U . . .
C54 C 0.3220(2) 0.1769(3) 0.1159(3) 0.127(3) Uani 1 1 d D U . . .
C55 C 0.31110(17) 0.1785(3) 0.1627(3) 0.114(2) Uani 1 1 d D U . . .
C56 C 0.3537(2) 0.1822(3) 0.1113(3) 0.125(3) Uani 1 1 d D U . . .
H56 H 0.361690 0.181687 0.080030 0.151 Uiso 1 1 calc R U . . .
C57 C 0.37305(19) 0.1880(3) 0.1506(2) 0.109(2) Uani 1 1 d D U . . .
H57 H 0.394794 0.189430 0.148088 0.131 Uiso 1 1 calc R U . . .
C58 C 0.35931(15) 0.1918(2) 0.1961(2) 0.0884(16) Uani 1 1 d D U . . .
C59 C 0.37990(14) 0.2008(2) 0.2388(2) 0.0837(15) Uani 1 1 d D U . . .
H59 H 0.401343 0.204858 0.235240 0.100 Uiso 1 1 calc R U . . .
C60 C 0.38721(12) 0.21494(16) 0.32177(18) 0.0702(12) Uani 1 1 d D U . . .
C61 C 0.41372(13) 0.23853(17) 0.3201(2) 0.0769(13) Uani 1 1 d D U . . .
H61 H 0.421366 0.245616 0.289720 0.092 Uiso 1 1 calc R U . . .
C62 C 0.42906(14) 0.25175(18) 0.3624(2) 0.0803(14) Uani 1 1 d D U . . .
H62 H 0.447399 0.267451 0.361067 0.096 Uiso 1 1 calc R U . . .
C63 C 0.41760(13) 0.24204(16) 0.4070(2) 0.0751(13) Uani 1 1 d D U . . .
C64 C 0.39187(13) 0.21767(18) 0.4095(2) 0.0799(14) Uani 1 1 d D U . . .
H64 H 0.384784 0.209834 0.440024 0.096 Uiso 1 1 calc R U . . .
C65 C 0.37649(13) 0.20476(19) 0.3672(2) 0.0779(13) Uani 1 1 d D U . . .
H65 H 0.358344 0.188718 0.368866 0.093 Uiso 1 1 calc R U . . .
C66 C 0.44243(15) 0.23234(17) 0.4892(2) 0.0809(14) Uani 1 1 d D U . . .
C67 C 0.44820(13) 0.19038(17) 0.4831(2) 0.0754(13) Uani 1 1 d D U . . .
H67 H 0.443223 0.177780 0.452709 0.090 Uiso 1 1 calc R U . . .
C68 C 0.46073(14) 0.16819(18) 0.5201(2) 0.0784(14) Uani 1 1 d D U . . .
H68 H 0.464835 0.140111 0.515270 0.094 Uiso 1 1 calc R U . . .
C69 C 0.46790(15) 0.18559(18) 0.56588(19) 0.0836(15) Uani 1 1 d D U . . .
C70 C 0.4587(2) 0.2252(2) 0.5736(2) 0.116(3) Uani 1 1 d D U . . .
H70 H 0.461118 0.236589 0.605132 0.139 Uiso 1 1 calc R U . . .
C71 C 0.4461(2) 0.2482(2) 0.5358(2) 0.111(2) Uani 1 1 d D U . . .
H71 H 0.439703 0.275380 0.541713 0.133 Uiso 1 1 calc R U . . .
C72 C 0.49425(18) 0.1745(2) 0.6411(2) 0.0955(18) Uani 1 1 d D U . . .
H72 H 0.487562 0.200654 0.650983 0.115 Uiso 1 1 calc R U . . .
C73 C 0.51525(16) 0.15113(19) 0.6740(2) 0.0863(15) Uani 1 1 d D U . . .
C74 C 0.52879(18) 0.1691(2) 0.7151(2) 0.0995(19) Uani 1 1 d D U . . .
H74 H 0.523569 0.196223 0.723176 0.119 Uiso 1 1 calc R U . . .
C75 C 0.55022(16) 0.1473(2) 0.7448(2) 0.0902(16) Uani 1 1 d D U . . .
H75 H 0.560347 0.159445 0.772558 0.108 Uiso 1 1 calc R U . . .
C76 C 0.55603(14) 0.10707(18) 0.73191(19) 0.0801(14) Uani 1 1 d D U . . .
C77 C 0.54061(13) 0.09003(16) 0.69088(18) 0.0729(12) Uani 1 1 d D U . . .
C78 C 0.57821(17) 0.0822(2) 0.7581(2) 0.0922(17) Uani 1 1 d D U . . .
H78 H 0.588862 0.092090 0.786699 0.111 Uiso 1 1 calc R U . . .
C79 C 0.58388(18) 0.0438(2) 0.7414(2) 0.0957(18) Uani 1 1 d D U . . .
H79 H 0.599030 0.026945 0.757493 0.115 Uiso 1 1 calc R U . . .
C80 C 0.56707(17) 0.02990(18) 0.7003(2) 0.0901(17) Uani 1 1 d D U . . .
H80 H 0.571180 0.003143 0.689300 0.108 Uiso 1 1 calc R U . . .
C81 C 0.44408(14) 0.29851(17) 0.4500(2) 0.0801(14) Uani 1 1 d D U . . .
C82 C 0.47511(15) 0.30656(18) 0.4614(2) 0.0866(16) Uani 1 1 d D U . . .
H82 H 0.489034 0.284948 0.469437 0.104 Uiso 1 1 calc R U . . .
C83 C 0.48540(14) 0.34589(17) 0.4609(2) 0.0824(14) Uani 1 1 d D U . . .
H83 H 0.506477 0.351577 0.469624 0.099 Uiso 1 1 calc R U . . .
C84 C 0.46559(13) 0.37748(16) 0.4479(2) 0.0749(13) Uani 1 1 d D U . . .
C85 C 0.43438(13) 0.36954(17) 0.4354(2) 0.0767(13) Uani 1 1 d D U . . .
H85 H 0.420613 0.390908 0.425689 0.092 Uiso 1 1 calc R U . . .
C86 C 0.42421(15) 0.32976(17) 0.4376(2) 0.0810(14) Uani 1 1 d D U . . .
H86 H 0.402978 0.323932 0.430380 0.097 Uiso 1 1 calc R U . . .
C87 C 0.46159(14) 0.44956(16) 0.44263(19) 0.0759(13) Uani 1 1 d D U . . .
H87 H 0.439730 0.447010 0.441497 0.091 Uiso 1 1 calc R U . . .
C88 C 0.47567(14) 0.48939(16) 0.4387(2) 0.0777(13) Uani 1 1 d D U . . .
C89 C 0.45702(16) 0.52446(18) 0.4345(2) 0.0891(16) Uani 1 1 d D U . . .
H89 H 0.435155 0.521855 0.432808 0.107 Uiso 1 1 calc R U . . .
C90 C 0.46986(16) 0.56136(19) 0.4328(2) 0.0920(16) Uani 1 1 d D U . . .
H90 H 0.457114 0.584906 0.430931 0.110 Uiso 1 1 calc R U . . .
C91 C 0.50168(16) 0.56541(17) 0.4338(2) 0.0876(15) Uani 1 1 d D U . . .
C92 C 0.51987(14) 0.52966(17) 0.43953(19) 0.0789(13) Uani 1 1 d D U . . .
C93 C 0.51727(18) 0.6029(2) 0.4310(3) 0.1000(18) Uani 1 1 d D U . . .
H93 H 0.505805 0.627493 0.427233 0.120 Uiso 1 1 calc R U . . .
C94 C 0.54879(18) 0.6040(2) 0.4336(3) 0.0993(18) Uani 1 1 d D U . . .
H94 H 0.559388 0.629127 0.430469 0.119 Uiso 1 1 calc R U . . .
C95 C 0.56550(18) 0.56738(19) 0.4411(2) 0.0964(18) Uani 1 1 d D U . . .
H95 H 0.587407 0.568733 0.444628 0.116 Uiso 1 1 calc R U . . .
N21 N 0.46470(11) 0.05963(13) 0.57074(15) 0.0714(10) Uani 1 1 d D U . . .
N22 N 0.47312(10) 0.03694(12) 0.49285(14) 0.0665(10) Uani 1 1 d D U . . .
N23 N 0.50781(10) 0.03919(13) 0.41308(15) 0.0679(10) Uani 1 1 d D U . . .
N24 N 0.7074(2) 0.0801(3) 0.2783(4) 0.092(2) Uani 0.618(5) 1 d D U P A 1
N25 N 0.7683(2) 0.0980(4) 0.2931(4) 0.126(3) Uani 0.618(5) 1 d D U P A 1
N26 N 0.8073(3) 0.1420(4) 0.2735(5) 0.145(4) Uani 0.618(5) 1 d D U P A 1
N27 N 0.50749(10) 0.13448(13) 0.09163(15) 0.0694(10) Uani 1 1 d D U . . .
N28 N 0.46485(11) 0.14477(13) 0.01478(16) 0.0747(11) Uani 1 1 d D U . . .
N29 N 0.44332(11) 0.12097(14) -0.05747(16) 0.0745(11) Uani 1 1 d D U . . .
N30 N 0.57818(10) 0.07783(15) 0.25410(16) 0.0770(11) Uani 1 1 d D U . . .
C101 C 0.44715(14) 0.06057(18) 0.6084(2) 0.0784(14) Uani 1 1 d D U . . .
H101 H 0.452855 0.078281 0.634505 0.094 Uiso 1 1 calc R U . . .
C102 C 0.42089(15) 0.03692(19) 0.6114(2) 0.0853(15) Uani 1 1 d D U . . .
H102 H 0.409055 0.038583 0.639155 0.102 Uiso 1 1 calc R U . . .
C103 C 0.41197(15) 0.0111(2) 0.5743(2) 0.0886(16) Uani 1 1 d D U . . .
H103 H 0.394016 -0.005278 0.575972 0.106 Uiso 1 1 calc R U . . .
C104 C 0.42972(13) 0.00951(16) 0.53406(19) 0.0744(13) Uani 1 1 d D U . . .
C105 C 0.45573(13) 0.03496(16) 0.53216(19) 0.0715(12) Uani 1 1 d D U . . .
C106 C 0.42298(15) -0.01661(18) 0.4932(2) 0.0836(15) Uani 1 1 d D U . . .
H106 H 0.405790 -0.034585 0.492806 0.100 Uiso 1 1 calc R U . . .
C107 C 0.44133(14) -0.01537(16) 0.4555(2) 0.0788(14) Uani 1 1 d D U . . .
H107 H 0.437720 -0.033219 0.428760 0.095 Uiso 1 1 calc R U . . .
C108 C 0.46611(12) 0.01297(15) 0.45623(18) 0.0673(11) Uani 1 1 d D U . . .
C109 C 0.48466(13) 0.01471(16) 0.41249(19) 0.0724(12) Uani 1 1 d D U . . .
H109 H 0.479504 -0.001788 0.385011 0.087 Uiso 1 1 calc R U . . .
C110 C 0.52499(13) 0.04621(17) 0.37235(18) 0.0733(12) Uani 1 1 d D U . . .
C111 C 0.55103(14) 0.07118(16) 0.37911(19) 0.0749(13) Uani 1 1 d D U . . .
H111 H 0.556773 0.080997 0.410641 0.090 Uiso 1 1 calc R U . . .
C112 C 0.56871(14) 0.08196(18) 0.34066(19) 0.0775(13) Uani 1 1 d D U . . .
H112 H 0.585832 0.099830 0.345662 0.093 Uiso 1 1 calc R U . . .
C113 C 0.56102(13) 0.06623(17) 0.29468(18) 0.0740(13) Uani 1 1 d D U . . .
C114 C 0.53554(13) 0.04074(18) 0.2887(2) 0.0784(14) Uani 1 1 d D U . . .
H114 H 0.530131 0.029993 0.257459 0.094 Uiso 1 1 calc R U . . .
C115 C 0.51810(13) 0.03072(18) 0.32625(19) 0.0743(13) Uani 1 1 d D U . . .
H115 H 0.500976 0.012897 0.320917 0.089 Uiso 1 1 calc R U . . .
C116 C 0.61062(13) 0.07642(18) 0.2586(2) 0.0798(13) Uani 1 1 d D U . . .
C117 C 0.62636(14) 0.05059(18) 0.2928(2) 0.0867(15) Uani 1 1 d D U . . .
H117 H 0.614915 0.032935 0.312292 0.104 Uiso 1 1 calc R U . . .
C118 C 0.65767(16) 0.0509(2) 0.2980(3) 0.1002(19) Uani 1 1 d D U . . .
H118 H 0.667871 0.033390 0.321053 0.120 Uiso 1 1 calc R U . . .
C119 C 0.67516(15) 0.07652(17) 0.2702(2) 0.105(2) Uani 1 1 d D U . . .
C120 C 0.65996(15) 0.0993(2) 0.2333(3) 0.0957(18) Uani 1 1 d D U . . .
H120 H 0.671713 0.114434 0.211543 0.115 Uiso 1 1 calc R U . . .
C121 C 0.62827(13) 0.10017(18) 0.2282(2) 0.0813(14) Uani 1 1 d D U . . .
H121 H 0.618251 0.116853 0.204059 0.098 Uiso 1 1 calc R U . . .
C122 C 0.7244(3) 0.0548(5) 0.3016(7) 0.129(4) Uani 0.618(5) 1 d D U P A 1
H122 H 0.715726 0.030414 0.313433 0.155 Uiso 0.618(5) 1 calc R U P A 1
C123 C 0.7581(3) 0.0629(4) 0.3106(4) 0.131(3) Uani 0.618(5) 1 d D U P A 1
C124 C 0.7784(3) 0.0357(4) 0.3332(5) 0.148(3) Uani 0.618(5) 1 d D U P A 1
H124 H 0.771009 0.010812 0.345782 0.177 Uiso 0.618(5) 1 calc R U P A 1
C125 C 0.8101(3) 0.0451(5) 0.3375(5) 0.158(4) Uani 0.618(5) 1 d D U P A 1
H125 H 0.824099 0.026390 0.353144 0.190 Uiso 0.618(5) 1 calc R U P A 1
C126 C 0.8213(3) 0.0812(4) 0.3193(4) 0.158(3) Uani 0.618(5) 1 d D U P A 1
C127 C 0.7994(3) 0.1063(4) 0.2959(3) 0.144(3) Uani 0.618(5) 1 d D U P A 1
C128 C 0.8530(3) 0.0927(5) 0.3235(6) 0.163(4) Uani 0.618(5) 1 d D U P A 1
H128 H 0.868145 0.076280 0.340243 0.196 Uiso 0.618(5) 1 calc R U P A 1
C129 C 0.8605(4) 0.1291(5) 0.3018(5) 0.177(4) Uani 0.618(5) 1 d D U P A 1
H129 H 0.881408 0.138082 0.303532 0.212 Uiso 0.618(5) 1 calc R U P A 1
C130 C 0.8381(4) 0.1524(5) 0.2778(5) 0.169(4) Uani 0.618(5) 1 d D U P A 1
H130 H 0.844224 0.177161 0.263334 0.202 Uiso 0.618(5) 1 calc R U P A 1
C131 C 0.56161(13) 0.09357(15) 0.21355(19) 0.0710(12) Uani 1 1 d D U . . .
C132 C 0.53728(13) 0.12049(18) 0.2192(2) 0.0785(14) Uani 1 1 d D U . . .
H132 H 0.532587 0.128572 0.250913 0.094 Uiso 1 1 calc R U . . .
C133 C 0.51969(14) 0.13585(18) 0.17999(19) 0.0768(13) Uani 1 1 d D U . . .
H133 H 0.503197 0.154211 0.184712 0.092 Uiso 1 1 calc R U . . .
C134 C 0.52655(12) 0.12401(16) 0.13382(18) 0.0703(12) Uani 1 1 d D U . . .
C135 C 0.55163(13) 0.09883(15) 0.1271(2) 0.0728(12) Uani 1 1 d D U . . .
H135 H 0.556934 0.092074 0.095233 0.087 Uiso 1 1 calc R U . . .
C136 C 0.56881(13) 0.08361(16) 0.16614(18) 0.0704(12) Uani 1 1 d D U . . .
H136 H 0.585785 0.066130 0.161064 0.085 Uiso 1 1 calc R U . . .
C137 C 0.48932(14) 0.16567(16) 0.0907(2) 0.0773(13) Uani 1 1 d D U . . .
H137 H 0.490993 0.185089 0.116204 0.093 Uiso 1 1 calc R U . . .
C138 C 0.46622(14) 0.17125(16) 0.0508(2) 0.0771(13) Uani 1 1 d D U . . .
C139 C 0.44499(17) 0.20381(19) 0.0535(3) 0.0968(19) Uani 1 1 d D U . . .
H139 H 0.447297 0.223526 0.078544 0.116 Uiso 1 1 calc R U . . .
C140 C 0.4217(2) 0.2062(2) 0.0200(3) 0.110(2) Uani 1 1 d D U . . .
H140 H 0.406531 0.226978 0.022311 0.132 Uiso 1 1 calc R U . . .
C141 C 0.41920(16) 0.17785(19) -0.0194(2) 0.0935(17) Uani 1 1 d D U . . .
C142 C 0.44267(13) 0.14813(16) -0.0203(2) 0.0762(13) Uani 1 1 d D U . . .
C143 C 0.39527(17) 0.1781(2) -0.0558(3) 0.107(2) Uani 1 1 d D U . . .
H143 H 0.379286 0.197912 -0.055958 0.128 Uiso 1 1 calc R U . . .
C144 C 0.39569(16) 0.1495(2) -0.0906(3) 0.0989(19) Uani 1 1 d D U . . .
H144 H 0.379464 0.148489 -0.115094 0.119 Uiso 1 1 calc R U . . .
C145 C 0.41993(14) 0.12104(19) -0.0908(2) 0.0857(15) Uani 1 1 d D U . . .
H145 H 0.419609 0.101131 -0.115773 0.103 Uiso 1 1 calc R U . . .
N34 N 0.7091(4) 0.0728(6) 0.2577(7) 0.088(4) Uiso 0.382(5) 1 d . U P A 2
N35 N 0.7709(5) 0.0844(6) 0.2653(6) 0.127(5) Uiso 0.382(5) 1 d D U P A 2
N36 N 0.8111(6) 0.1281(7) 0.2483(7) 0.148(5) Uiso 0.382(5) 1 d D U P A 2
C222 C 0.7266(6) 0.0430(8) 0.2712(9) 0.111(4) Uiso 0.382(5) 1 d . U P A 2
H222 H 0.717266 0.017791 0.278918 0.133 Uiso 0.382(5) 1 calc R U P A 2
C223 C 0.7587(5) 0.0456(7) 0.2752(6) 0.133(4) Uiso 0.382(5) 1 d D U P A 2
C224 C 0.7765(5) 0.0101(7) 0.2779(6) 0.139(5) Uiso 0.382(5) 1 d D U P A 2
H224 H 0.767544 -0.015467 0.284667 0.166 Uiso 0.382(5) 1 calc R U P A 2
C225 C 0.8088(5) 0.0136(8) 0.2702(6) 0.144(6) Uiso 0.382(5) 1 d D U P A 2
H225 H 0.821959 -0.009466 0.271609 0.173 Uiso 0.382(5) 1 calc R U P A 2
C226 C 0.8204(6) 0.0538(7) 0.2601(4) 0.161(5) Uiso 0.382(5) 1 d D U P A 2
C227 C 0.8020(5) 0.0887(7) 0.2576(4) 0.149(4) Uiso 0.382(5) 1 d D U P A 2
C228 C 0.8525(6) 0.0545(10) 0.2530(7) 0.184(7) Uiso 0.382(5) 1 d D U P A 2
H228 H 0.865562 0.031284 0.254432 0.221 Uiso 0.382(5) 1 calc R U P A 2
C229 C 0.8621(7) 0.0942(9) 0.2436(7) 0.184(5) Uiso 0.382(5) 1 d D U P A 2
H229 H 0.883384 0.098255 0.238206 0.220 Uiso 0.382(5) 1 calc R U P A 2
C230 C 0.8428(7) 0.1283(10) 0.2414(7) 0.178(5) Uiso 0.382(5) 1 d D U P A 2
H230 H 0.852044 0.153796 0.234744 0.213 Uiso 0.382(5) 1 calc R U P A 2
S1A S 0.62973(18) 0.6490(2) 0.4434(3) 0.0966(16) Uani 0.45 1 d D U P B 1
S2A S 0.6687(3) 0.6953(3) 0.4999(4) 0.098(2) Uani 0.45 1 d D U P B 1
F1A F 0.6118(3) 0.6129(4) 0.3667(5) 0.151(4) Uiso 0.45 1 d D U P B 1
F2A F 0.6597(3) 0.6033(4) 0.3870(4) 0.131(3) Uiso 0.45 1 d D U P B 1
F3A F 0.6428(4) 0.6635(5) 0.3532(6) 0.145(5) Uiso 0.45 1 d D U P B 1
F4A F 0.6701(3) 0.7606(5) 0.5291(6) 0.154(5) Uiso 0.45 1 d D U P B 1
F5A F 0.6815(5) 0.7524(6) 0.4461(7) 0.151(7) Uiso 0.45 1 d D U P B 1
F6A F 0.6339(4) 0.7517(5) 0.4645(6) 0.148(6) Uiso 0.45 1 d D U P B 1
O1A O 0.6045(3) 0.6769(4) 0.4336(5) 0.107(4) Uiso 0.45 1 d D U P B 1
O2A O 0.6252(3) 0.6133(3) 0.4740(4) 0.108(3) Uiso 0.45 1 d D U P B 1
O3A O 0.6504(3) 0.6954(4) 0.5409(4) 0.114(3) Uiso 0.45 1 d D U P B 1
O4A O 0.7020(3) 0.6954(4) 0.5100(5) 0.099(4) Uiso 0.45 1 d D U P B 1
N1A N 0.6624(3) 0.6687(5) 0.4558(6) 0.094(3) Uiso 0.45 1 d D U P B 1
C1A C 0.6383(4) 0.6308(5) 0.3851(6) 0.110(4) Uiso 0.45 1 d D U P B 1
C2A C 0.6633(5) 0.7504(5) 0.4798(7) 0.114(5) Uiso 0.45 1 d D U P B 1
S1G S 0.6322(3) 0.6486(4) 0.4243(4) 0.129(3) Uani 0.35 1 d D U P C 2
S2G S 0.6697(3) 0.6835(4) 0.5023(5) 0.110(3) Uani 0.35 1 d D U P C 2
O2G O 0.6316(4) 0.6063(5) 0.4158(6) 0.116(4) Uiso 0.35 1 d D U P C 2
O3G O 0.6499(3) 0.6701(5) 0.5377(5) 0.107(4) Uiso 0.35 1 d D U P C 2
O1G O 0.6064(4) 0.6669(6) 0.4538(7) 0.118(5) Uiso 0.35 1 d D U P C 2
O4G O 0.7016(4) 0.6787(6) 0.5126(7) 0.118(6) Uiso 0.35 1 d D U P C 2
F1G F 0.6303(5) 0.7144(6) 0.3745(7) 0.170(6) Uiso 0.35 1 d D U P C 2
F2G F 0.6005(5) 0.6676(6) 0.3475(7) 0.170(6) Uiso 0.35 1 d D U P C 2
N1G N 0.6647(5) 0.6580(7) 0.4521(8) 0.116(5) Uiso 0.35 1 d D U P C 2
F5G F 0.6717(3) 0.7747(4) 0.5076(6) 0.115(4) Uiso 0.35 1 d D U P C 2
F3G F 0.6532(6) 0.6625(8) 0.3459(10) 0.185(11) Uiso 0.35 1 d D U P C 2
F4G F 0.6315(3) 0.7450(5) 0.4824(7) 0.117(5) Uiso 0.35 1 d D U P C 2
F6G F 0.6729(7) 0.7542(10) 0.4443(10) 0.178(11) Uiso 0.35 1 d D U P C 2
C1G C 0.6274(6) 0.6756(8) 0.3684(8) 0.153(7) Uiso 0.35 1 d D U P C 2
C2G C 0.6628(5) 0.7384(6) 0.4873(9) 0.123(6) Uiso 0.35 1 d D U P C 2
S1B S 0.2592(3) 0.1244(4) 0.6073(5) 0.107(3) Uani 0.35 1 d D U P D 1
S2B S 0.2931(3) 0.0712(3) 0.6731(4) 0.119(3) Uani 0.35 1 d D U P D 1
F1B F 0.3051(5) 0.1727(7) 0.6009(8) 0.183(7) Uiso 0.35 1 d D U P D 1
F2B F 0.3068(4) 0.1278(6) 0.5549(6) 0.137(5) Uiso 0.35 1 d D U P D 1
F3B F 0.2713(4) 0.1664(6) 0.5359(7) 0.152(5) Uiso 0.35 1 d D U P D 1
F4B F 0.3474(5) 0.0567(6) 0.7015(8) 0.151(6) Uiso 0.35 1 d D U P D 1
F5B F 0.3364(5) 0.0649(8) 0.6186(8) 0.178(6) Uiso 0.35 1 d D U P D 1
F6B F 0.3449(5) 0.1082(6) 0.6632(9) 0.160(5) Uiso 0.35 1 d D U P D 1
O1B O 0.2414(4) 0.1560(5) 0.6225(6) 0.104(4) Uiso 0.35 1 d D U P D 1
O2B O 0.2463(5) 0.0864(6) 0.5867(8) 0.147(6) Uiso 0.35 1 d D U P D 1
O3B O 0.2862(5) 0.0618(7) 0.7197(7) 0.134(7) Uiso 0.35 1 d D U P D 1
O4B O 0.2841(4) 0.0372(5) 0.6458(7) 0.117(4) Uiso 0.35 1 d D U P D 1
N1B N 0.2809(5) 0.1139(6) 0.6533(7) 0.112(4) Uiso 0.35 1 d D U P D 1
C1B C 0.2859(5) 0.1505(8) 0.5705(8) 0.126(6) Uiso 0.35 1 d D U P D 1
C2B C 0.3339(5) 0.0707(9) 0.6621(10) 0.137(5) Uiso 0.35 1 d D U P D 1
S1M S 0.2586(4) 0.1152(5) 0.6090(6) 0.109(4) Uani 0.25 1 d D U P E 2
S2M S 0.2929(4) 0.0819(5) 0.6816(7) 0.130(3) Uani 0.25 1 d D U P E 2
N1M N 0.2759(7) 0.1222(8) 0.6598(10) 0.127(5) Uiso 0.25 1 d D U P E 2
O2M O 0.2532(8) 0.0715(8) 0.6030(13) 0.163(9) Uiso 0.25 1 d D U P E 2
O1M O 0.2323(5) 0.1416(7) 0.6116(8) 0.099(5) Uiso 0.25 1 d D U P E 2
O3M O 0.2981(8) 0.0990(10) 0.7336(9) 0.161(8) Uiso 0.25 1 d D U P E 2
O4M O 0.2796(7) 0.0431(8) 0.6824(13) 0.149(8) Uiso 0.25 1 d D U P E 2
F1M F 0.2601(5) 0.1327(8) 0.5199(8) 0.149(7) Uiso 0.25 1 d D U P E 2
F5M F 0.3422(5) 0.0922(7) 0.6290(7) 0.117(5) Uiso 0.25 1 d D U P E 2
F4M F 0.3504(5) 0.0471(6) 0.6818(9) 0.112(5) Uiso 0.25 1 d D U P E 2
F2M F 0.3024(4) 0.1046(6) 0.5503(6) 0.101(4) Uiso 0.25 1 d D U P E 2
F3M F 0.2918(7) 0.1662(8) 0.5685(12) 0.172(9) Uiso 0.25 1 d D U P E 2
F6M F 0.3443(4) 0.1138(6) 0.6995(8) 0.123(5) Uiso 0.25 1 d D U P E 2
C1M C 0.2799(5) 0.1309(8) 0.5583(8) 0.103(6) Uiso 0.25 1 d D U P E 2
C2M C 0.3347(6) 0.0807(9) 0.6731(11) 0.139(6) Uiso 0.25 1 d D U P E 2
S2N S 0.3227(4) 0.0767(5) 0.6615(5) 0.143(3) Uani 0.2 1 d D U P F 3
S1N S 0.2776(5) 0.0365(7) 0.5946(8) 0.198(6) Uani 0.2 1 d D U P F 3
O1N O 0.2845(12) 0.0683(13) 0.5600(17) 0.232(14) Uiso 0.2 1 d D U P F 3
O4N O 0.3164(10) 0.1105(10) 0.6319(14) 0.175(9) Uiso 0.2 1 d D U P F 3
O3N O 0.3563(6) 0.0706(14) 0.6607(15) 0.164(9) Uiso 0.2 1 d D U P F 3
O2N O 0.2473(7) 0.0367(15) 0.6035(17) 0.190(12) Uiso 0.2 1 d D U P F 3
N1N N 0.3025(8) 0.0394(10) 0.6412(12) 0.144(5) Uiso 0.2 1 d D U P F 3
F1N F 0.2978(8) 0.0072(11) 0.5265(12) 0.179(12) Uiso 0.2 1 d D U P F 3
F3N F 0.3301(9) -0.0025(17) 0.585(2) 0.28(2) Uiso 0.2 1 d D U P F 3
F2N F 0.2949(12) -0.0438(11) 0.5747(19) 0.250(19) Uiso 0.2 1 d D U P F 3
F5N F 0.3286(10) 0.1071(11) 0.7494(14) 0.206(13) Uiso 0.2 1 d D U P F 3
C2N C 0.3154(8) 0.0764(11) 0.7252(9) 0.134(6) Uiso 0.2 1 d D U P F 3
F4N F 0.3282(9) 0.0419(11) 0.7447(14) 0.201(13) Uiso 0.2 1 d D U P F 3
C1N C 0.3004(10) -0.0060(11) 0.5697(14) 0.198(11) Uiso 0.2 1 d D U P F 3
F6N F 0.2856(7) 0.0747(12) 0.7297(13) 0.143(9) Uiso 0.2 1 d D U P F 3
S1C S 0.3674(3) 0.0673(3) 0.4491(4) 0.115(3) Uani 0.4 1 d D U P G 1
S2C S 0.3569(3) -0.0060(4) 0.3980(5) 0.116(3) Uani 0.4 1 d D U P G 1
F1C F 0.3458(2) 0.1393(3) 0.4553(4) 0.089(3) Uiso 0.4 1 d D U P G 1
F2C F 0.3355(4) 0.1089(4) 0.3854(5) 0.121(4) Uiso 0.4 1 d D U P G 1
F3C F 0.3106(3) 0.0927(5) 0.4422(6) 0.124(4) Uiso 0.4 1 d D U P G 1
F4C F 0.3591(3) 0.0061(5) 0.3068(6) 0.151(5) Uiso 0.4 1 d D U P G 1
F5C F 0.3163(4) 0.0257(6) 0.3376(7) 0.159(6) Uiso 0.4 1 d D U P G 1
F6C F 0.3252(5) -0.0385(6) 0.3263(7) 0.170(7) Uiso 0.4 1 d D U P G 1
O1C O 0.3979(4) 0.0886(6) 0.4620(7) 0.134(5) Uiso 0.4 1 d D U P G 1
O2C O 0.3570(4) 0.0447(6) 0.4898(7) 0.135(5) Uiso 0.4 1 d D U P G 1
O3C O 0.3325(4) -0.0157(6) 0.4304(7) 0.157(6) Uiso 0.4 1 d D U P G 1
O4C O 0.3769(4) -0.0384(5) 0.3882(7) 0.127(5) Uiso 0.4 1 d D U P G 1
N1C N 0.3731(4) 0.0348(4) 0.4064(6) 0.110(4) Uiso 0.4 1 d D U P G 1
C1C C 0.3383(5) 0.1036(6) 0.4344(8) 0.119(6) Uiso 0.4 1 d D U P G 1
C2C C 0.3378(5) -0.0014(7) 0.3363(7) 0.137(5) Uiso 0.4 1 d D U P G 1
S1I S 0.3679(3) 0.0570(3) 0.4548(4) 0.117(3) Uani 0.4 1 d D U P H 2
S2I S 0.3608(4) -0.0044(5) 0.3904(6) 0.137(3) Uani 0.4 1 d D U P H 2
O1I O 0.3604(3) 0.0646(4) 0.5074(5) 0.106(4) Uiso 0.4 1 d D U P H 2
O2I O 0.3959(3) 0.0724(4) 0.4468(5) 0.100(4) Uiso 0.4 1 d D U P H 2
O3I O 0.3751(3) 0.0208(4) 0.3577(5) 0.121(4) Uiso 0.4 1 d D U P H 2
O4I O 0.3697(4) -0.0429(5) 0.4088(6) 0.120(5) Uiso 0.4 1 d D U P H 2
N1I N 0.3529(4) 0.0182(5) 0.4429(6) 0.121(4) Uiso 0.4 1 d D U P H 2
F4I F 0.3039(4) -0.0217(5) 0.3963(6) 0.160(5) Uiso 0.4 1 d D U P H 2
F2I F 0.3114(3) 0.0786(5) 0.4251(6) 0.132(5) Uiso 0.4 1 d D U P H 2
F1I F 0.3342(5) 0.1260(6) 0.4575(7) 0.170(6) Uiso 0.4 1 d D U P H 2
F3I F 0.3499(4) 0.1083(4) 0.3863(5) 0.121(4) Uiso 0.4 1 d D U P H 2
F6I F 0.3076(4) 0.0328(5) 0.3591(7) 0.148(5) Uiso 0.4 1 d D U P H 2
F5I F 0.3179(5) -0.0194(8) 0.3217(8) 0.197(8) Uiso 0.4 1 d D U P H 2
C1I C 0.3391(5) 0.0944(6) 0.4291(7) 0.110(5) Uiso 0.4 1 d D U P H 2
C2I C 0.3208(5) -0.0041(7) 0.3637(8) 0.137(5) Uiso 0.4 1 d D U P H 2
S1D S 0.5607(3) 0.3005(3) 0.5625(4) 0.098(3) Uani 0.25 1 d D U P I 1
S2D S 0.5728(3) 0.3489(3) 0.6439(4) 0.130(3) Uani 0.25 1 d D U P I 1
F1D F 0.5099(6) 0.2795(8) 0.6040(10) 0.132(8) Uiso 0.25 1 d D U P I 1
F2D F 0.5471(4) 0.2363(5) 0.6075(8) 0.107(5) Uiso 0.25 1 d D U P I 1
F3D F 0.5236(5) 0.2503(7) 0.5355(8) 0.128(7) Uiso 0.25 1 d D U P I 1
F4D F 0.5292(8) 0.3106(9) 0.6819(13) 0.195(8) Uiso 0.25 1 d D U P I 1
F5D F 0.5171(6) 0.3765(9) 0.6746(11) 0.173(8) Uiso 0.25 1 d D U P I 1
F6D F 0.5444(9) 0.3537(12) 0.7343(11) 0.215(10) Uiso 0.25 1 d D U P I 1
O1D O 0.5467(6) 0.3079(8) 0.5132(8) 0.118(6) Uiso 0.25 1 d D U P I 1
O2D O 0.5884(6) 0.2776(10) 0.5535(14) 0.100(9) Uiso 0.25 1 d D U P I 1
O3D O 0.5946(6) 0.3179(7) 0.6549(10) 0.142(8) Uiso 0.25 1 d D U P I 1
O4D O 0.5850(7) 0.3907(7) 0.6407(11) 0.146(8) Uiso 0.25 1 d D U P I 1
N1D N 0.5562(6) 0.3380(7) 0.5906(7) 0.106(4) Uiso 0.25 1 d D U P I 1
C1D C 0.5322(6) 0.2606(8) 0.5790(10) 0.135(6) Uiso 0.25 1 d D U P I 1
C2D C 0.5405(7) 0.3489(10) 0.6874(11) 0.156(6) Uiso 0.25 1 d D U P I 1
S1H S 0.5610(3) 0.3090(4) 0.5801(4) 0.117(3) Uani 0.3 1 d D U P J 2
S2H S 0.5539(3) 0.3525(5) 0.6654(5) 0.170(3) Uani 0.3 1 d D U P J 2
O1H O 0.5511(5) 0.3399(5) 0.5478(7) 0.112(5) Uiso 0.3 1 d D U P J 2
O3H O 0.5705(7) 0.3913(7) 0.6627(11) 0.166(8) Uiso 0.3 1 d D U P J 2
O4H O 0.5202(6) 0.3545(12) 0.6600(13) 0.197(9) Uiso 0.3 1 d D U P J 2
O2H O 0.5879(5) 0.2823(7) 0.5684(9) 0.107(7) Uiso 0.3 1 d D U P J 2
N1H N 0.5712(6) 0.3166(8) 0.6349(7) 0.141(5) Uiso 0.3 1 d D U P J 2
C1H C 0.5320(6) 0.2688(7) 0.5872(10) 0.127(5) Uiso 0.3 1 d D U P J 2
F1H F 0.5265(5) 0.2395(6) 0.5533(8) 0.131(6) Uiso 0.3 1 d D U P J 2
F2H F 0.5052(5) 0.2886(7) 0.5914(8) 0.121(6) Uiso 0.3 1 d D U P J 2
F5H F 0.5463(7) 0.3043(9) 0.7326(12) 0.219(9) Uiso 0.3 1 d D U P J 2
F4H F 0.5580(10) 0.3683(11) 0.7561(14) 0.285(16) Uiso 0.3 1 d D U P J 2
F3H F 0.5413(5) 0.2513(7) 0.6302(8) 0.156(6) Uiso 0.3 1 d D U P J 2
F6H F 0.5895(7) 0.3223(10) 0.7279(12) 0.214(10) Uiso 0.3 1 d D U P J 2
C2H C 0.5622(8) 0.3381(10) 0.7280(9) 0.180(7) Uiso 0.3 1 d D U P J 2
S1J S 0.5400(3) 0.2816(4) 0.5832(5) 0.128(3) Uani 0.2 1 d D U P K -3
S2J S 0.5494(4) 0.3254(6) 0.6708(6) 0.169(4) Uani 0.2 1 d D U P K -3
C1J C 0.5678(6) 0.3051(8) 0.5443(10) 0.119(6) Uiso 0.2 1 d D U P K -3
F4J F 0.4853(8) 0.3308(12) 0.6658(13) 0.185(12) Uiso 0.2 1 d D U P K -3
F5J F 0.5040(10) 0.2804(11) 0.6978(17) 0.225(16) Uiso 0.2 1 d D U P K -3
F2J F 0.5929(5) 0.2822(8) 0.5444(10) 0.090(7) Uiso 0.2 1 d D U P K -3
F1J F 0.5688(5) 0.3460(6) 0.5546(8) 0.103(5) Uiso 0.2 1 d D U P K -3
F3J F 0.5555(6) 0.2945(8) 0.5002(8) 0.120(7) Uiso 0.2 1 d D U P K -3
N1J N 0.5556(8) 0.2869(10) 0.6374(9) 0.139(6) Uiso 0.2 1 d D U P K -3
O4J O 0.5461(10) 0.3652(9) 0.6449(14) 0.153(8) Uiso 0.2 1 d D U P K -3
O2J O 0.5121(6) 0.3054(9) 0.5761(11) 0.111(7) Uiso 0.2 1 d D U P K -3
O1J O 0.5422(7) 0.2396(6) 0.5743(12) 0.110(7) Uiso 0.2 1 d D U P K -3
O3J O 0.5703(9) 0.3190(13) 0.7118(12) 0.168(9) Uiso 0.2 1 d D U P K -3
C2J C 0.5102(7) 0.3205(12) 0.6933(14) 0.178(9) Uiso 0.2 1 d D U P K -3
F6J F 0.5103(8) 0.3439(11) 0.7325(11) 0.175(10) Uiso 0.2 1 d D U P K -3
N1S N 0.1866(4) 0.1770(6) 0.1064(8) 0.296(11) Uani 1 1 d D U . . .
C1S C 0.1721(4) 0.2055(5) 0.1176(7) 0.203(6) Uani 1 1 d D U . . .
C2S C 0.1484(4) 0.2305(6) 0.1350(8) 0.255(9) Uani 1 1 d D U . . .
H2S1 H 0.132547 0.213386 0.148588 0.382 Uiso 1 1 calc R U . . .
H2S2 H 0.139026 0.246688 0.108178 0.382 Uiso 1 1 calc R U . . .
H2S3 H 0.157230 0.248825 0.160079 0.382 Uiso 1 1 calc R U . . .
N2S N 0.34341(18) 0.2386(3) 0.0021(3) 0.136(3) Uani 1 1 d D U . . .
C3S C 0.3191(2) 0.2461(4) -0.0071(4) 0.154(4) Uani 1 1 d D U . . .
C4S C 0.2902(6) 0.2730(11) -0.0155(13) 0.217(12) Uiso 0.56(4) 1 d D U P L 1
C4X C 0.2852(5) 0.2423(14) -0.0294(13) 0.185(12) Uiso 0.44(4) 1 d D U P L 2
N3S N 0.3860(2) 0.1019(3) 0.0435(4) 0.146(3) Uani 1 1 d D U . . .
C5S C 0.3629(3) 0.0964(5) 0.0233(6) 0.185(6) Uani 1 1 d D U . . .
C6S C 0.3350(4) 0.0910(8) -0.0075(9) 0.317(14) Uani 1 1 d D U . . .
H6S1 H 0.327399 0.117657 -0.018940 0.475 Uiso 1 1 calc R U . . .
H6S2 H 0.319157 0.077727 0.010872 0.475 Uiso 1 1 calc R U . . .
H6S3 H 0.339520 0.074046 -0.035386 0.475 Uiso 1 1 calc R U . . .
N4S N 0.3012(2) 0.4082(4) 0.2828(4) 0.165(4) Uani 1 1 d D U . . .
C7S C 0.2852(2) 0.3804(4) 0.2736(4) 0.141(3) Uani 1 1 d D U . . .
C8S C 0.2666(3) 0.3469(4) 0.2605(5) 0.166(4) Uani 1 1 d D U . . .
H8S1 H 0.247087 0.356414 0.244715 0.248 Uiso 1 1 calc R U . . .
H8S2 H 0.262242 0.331259 0.289563 0.248 Uiso 1 1 calc R U . . .
H8S3 H 0.277315 0.329443 0.238145 0.248 Uiso 1 1 calc R U . . .
N5S N 0.41108(19) 0.1482(3) 0.6432(3) 0.133(3) Uani 1 1 d D U . . .
C9S C 0.3976(2) 0.1506(3) 0.6084(3) 0.117(3) Uani 1 1 d D U . . .
C10S C 0.3814(3) 0.1478(5) 0.5600(4) 0.186(5) Uani 1 1 d D U . . .
H10A H 0.379010 0.175128 0.546119 0.278 Uiso 1 1 calc R U . . .
H10B H 0.360976 0.135539 0.563009 0.278 Uiso 1 1 calc R U . . .
H10C H 0.393490 0.130857 0.538920 0.278 Uiso 1 1 calc R U . . .
N6S N 0.5329(4) 0.2509(5) 0.7952(6) 0.129(5) Uiso 0.5 1 d D U P M 1
C11S C 0.5420(5) 0.2813(6) 0.8127(8) 0.132(6) Uiso 0.5 1 d D U P M 1
C12S C 0.5516(6) 0.3218(6) 0.8267(10) 0.162(8) Uiso 0.5 1 d D U P M 1
O1S O 0.83355(19) 0.2578(3) 0.2490(4) 0.149(3) Uani 0.75 1 d D U P N 3
C32S C 0.8586(3) 0.2822(5) 0.2344(7) 0.166(5) Uani 0.75 1 d D U P N 3
H32S H 0.853023 0.293788 0.201620 0.199 Uiso 0.75 1 calc R U P N 3
C33S C 0.8877(4) 0.2594(6) 0.2322(12) 0.248(12) Uani 0.75 1 d D U P N 3
H33A H 0.904025 0.277646 0.221986 0.373 Uiso 0.75 1 calc R U P N 3
H33B H 0.893653 0.248274 0.264264 0.373 Uiso 0.75 1 calc R U P N 3
H33C H 0.884913 0.237040 0.208896 0.373 Uiso 0.75 1 calc R U P N 3
C34S C 0.8613(6) 0.3180(6) 0.2719(9) 0.230(10) Uani 0.75 1 d D U P N 3
H34A H 0.878180 0.336107 0.263953 0.345 Uiso 0.75 1 calc R U P N 3
H34B H 0.841825 0.333273 0.270767 0.345 Uiso 0.75 1 calc R U P N 3
H34C H 0.865402 0.306824 0.304496 0.345 Uiso 0.75 1 calc R U P N 3
C35S C 0.8025(3) 0.2662(5) 0.2325(5) 0.146(4) Uani 0.75 1 d D U P N 3
H35S H 0.799786 0.296374 0.235307 0.176 Uiso 0.75 1 calc R U P N 3
C36S C 0.7983(4) 0.2565(9) 0.1807(6) 0.225(10) Uani 0.75 1 d D U P N 3
H36A H 0.776974 0.262362 0.169307 0.338 Uiso 0.75 1 calc R U P N 3
H36B H 0.812485 0.273092 0.162542 0.338 Uiso 0.75 1 calc R U P N 3
H36C H 0.802754 0.227593 0.175742 0.338 Uiso 0.75 1 calc R U P N 3
C37S C 0.7800(4) 0.2476(7) 0.2632(7) 0.197(8) Uani 0.75 1 d D U P N 3
H37A H 0.759034 0.254195 0.250470 0.296 Uiso 0.75 1 calc R U P N 3
H37B H 0.782766 0.217943 0.263397 0.296 Uiso 0.75 1 calc R U P N 3
H37C H 0.783119 0.258058 0.296265 0.296 Uiso 0.75 1 calc R U P N 3
N7S N 0.2186(4) 0.0138(6) 0.3610(7) 0.147(5) Uiso 0.5 1 d D U P O 1
C13S C 0.2314(5) -0.0152(6) 0.3493(9) 0.145(6) Uiso 0.5 1 d D U P O 1
C14S C 0.2407(6) -0.0520(7) 0.3254(10) 0.164(7) Uiso 0.5 1 d D U P O 1
N7A N 0.2029(9) 0.0255(12) 0.3147(15) 0.161(10) Uiso 0.25 1 d D U P P 2
C13A C 0.2177(11) -0.0051(13) 0.3143(15) 0.151(7) Uiso 0.25 1 d D U P P 2
C14A C 0.2313(12) -0.0370(14) 0.2840(19) 0.170(10) Uiso 0.25 1 d D U P P 2
S1K S 0.27877(17) 0.2929(2) 0.1296(3) 0.1251(19) Uani 0.35 1 d D U P Q 1
S2K S 0.23436(16) 0.3462(3) 0.0796(3) 0.129(2) Uani 0.35 1 d D U P Q 1
O1K O 0.2818(8) 0.2821(10) 0.1807(8) 0.157(10) Uiso 0.35 1 d D U P Q 1
O2K O 0.2728(4) 0.2595(4) 0.0994(5) 0.105(4) Uiso 0.35 1 d D U P Q 1
O3K O 0.2321(6) 0.3895(6) 0.0727(9) 0.167(7) Uiso 0.35 1 d D U P Q 1
O4K O 0.2354(5) 0.3225(6) 0.0380(7) 0.144(6) Uiso 0.35 1 d D U P Q 1
F2K F 0.3378(5) 0.2837(7) 0.1178(9) 0.173(7) Uiso 0.35 1 d D U P Q 1
F1K F 0.3112(4) 0.3247(5) 0.0615(6) 0.143(5) Uiso 0.35 1 d D U P Q 1
F3K F 0.3273(4) 0.3422(6) 0.1354(7) 0.158(5) Uiso 0.35 1 d D U P Q 1
C1K C 0.3165(5) 0.3111(7) 0.1087(8) 0.135(6) Uiso 0.35 1 d D U P Q 1
F4K F 0.1961(5) 0.3527(6) 0.1465(7) 0.178(7) Uiso 0.35 1 d D U P Q 1
F5K F 0.1761(5) 0.3357(7) 0.0865(8) 0.194(8) Uiso 0.35 1 d D U P Q 1
F6K F 0.2014(6) 0.2908(7) 0.1185(10) 0.232(10) Uiso 0.35 1 d D U P Q 1
C2K C 0.1993(6) 0.3301(9) 0.1120(10) 0.171(8) Uiso 0.35 1 d D U P Q 1
N1K N 0.2584(5) 0.3355(6) 0.1253(8) 0.135(5) Uiso 0.35 1 d D U P Q 1
S1L S 0.29897(13) 0.3441(2) 0.1189(2) 0.1297(18) Uani 0.4 1 d D U P R 2
S2L S 0.2627(2) 0.3747(4) 0.0450(4) 0.190(3) Uani 0.4 1 d D U P R 2
O1L O 0.2980(4) 0.3651(6) 0.1654(6) 0.147(5) Uiso 0.4 1 d D U P R 2
O2L O 0.3255(5) 0.3545(9) 0.0920(10) 0.214(9) Uiso 0.4 1 d D U P R 2
O4L O 0.2323(5) 0.3755(8) 0.0244(9) 0.199(8) Uiso 0.4 1 d D U P R 2
O3L O 0.2851(6) 0.3510(9) 0.0166(10) 0.227(10) Uiso 0.4 1 d D U P R 2
F2L F 0.2886(5) 0.2724(7) 0.0878(8) 0.189(7) Uiso 0.4 1 d D U P R 2
F4L F 0.2647(6) 0.4516(8) 0.0496(10) 0.249(10) Uiso 0.4 1 d D U P R 2
F1L F 0.3260(5) 0.2723(7) 0.1344(8) 0.187(7) Uiso 0.4 1 d D U P R 2
F5L F 0.2817(9) 0.4127(12) -0.0162(12) 0.326(15) Uiso 0.4 1 d D U P R 2
F3L F 0.2890(5) 0.2800(7) 0.1715(7) 0.150(7) Uiso 0.4 1 d D U P R 2
C1L C 0.3013(7) 0.2899(6) 0.1289(9) 0.152(6) Uiso 0.4 1 d D U P R 2
N1L N 0.2646(5) 0.3607(7) 0.0991(7) 0.158(5) Uiso 0.4 1 d D U P R 2
C2L C 0.2821(7) 0.4226(8) 0.0322(13) 0.214(9) Uiso 0.4 1 d D U P R 2
F6L F 0.3104(6) 0.4221(10) 0.0417(12) 0.272(12) Uiso 0.4 1 d D U P R 2
N9S N 0.8265(7) 0.0478(10) 0.3881(13) 0.134(9) Uiso 0.25 1 d D U P S 2
C17S C 0.8027(8) 0.0329(15) 0.3925(19) 0.154(11) Uiso 0.25 1 d D U P S 2
C18S C 0.7721(7) 0.0154(12) 0.3929(15) 0.130(11) Uiso 0.25 1 d D U P S 2
S1 S 0.46433(4) 0.24031(5) 0.19671(5) 0.0806(4) Uani 1 1 d D U . . .
O1 O 0.49924(12) 0.2388(2) 0.18426(17) 0.078(4) Uiso 0.351(3) 1 d D U P T 1
H1Z H 0.51075(10) 0.2489(2) 0.20557(12) 0.093 Uiso 0.351(3) 1 d D U P T 1
O2 O 0.4549(3) 0.1969(3) 0.1958(4) 0.081(3) Uiso 0.351(3) 1 d D U P T 1
O3 O 0.4497(3) 0.2637(3) 0.1614(4) 0.086(3) Uiso 0.351(3) 1 d D U P T 1
O4 O 0.46613(11) 0.2564(3) 0.24667(13) 0.085(3) Uiso 0.351(3) 1 d D U P T 1
O1' O 0.4857(3) 0.2507(3) 0.1554(4) 0.077(3) Uiso 0.333(3) 1 d D U P T 2
O2' O 0.4745(3) 0.2059(3) 0.2217(5) 0.087(3) Uiso 0.333(3) 1 d D U P T 2
O3' O 0.4710(2) 0.2790(3) 0.2289(4) 0.073(3) Uiso 0.333(3) 1 d D U P T 2
O4' O 0.4337(3) 0.2440(4) 0.1774(5) 0.091(3) Uiso 0.333(3) 1 d D U P T 2
O1'' O 0.4948(3) 0.2451(4) 0.1797(5) 0.074(3) Uiso 0.317(3) 1 d D U P T 3
O3'' O 0.4487(3) 0.2768(3) 0.2093(5) 0.088(3) Uiso 0.317(3) 1 d D U P T 3
O2'' O 0.4449(3) 0.2161(4) 0.1591(5) 0.094(3) Uiso 0.317(3) 1 d D U P T 3
O4'' O 0.4653(3) 0.2127(4) 0.2417(4) 0.082(3) Uiso 0.317(3) 1 d D U P T 3
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0032 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0032 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0058 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0168 0.0099 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1203 0.1179 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.9515 1.0590 '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
N1 Ag1 N11 156.0(3) . .
N1 Ag1 N25 106.9(3) . 2_655
N11 Ag1 N25 94.1(3) . 2_655
N1 Ag1 N24 108.3(3) . 2_655
N11 Ag1 N24 89.9(3) . 2_655
N25 Ag1 N24 68.7(3) 2_655 2_655
N1 Ag1 N34 94.3(5) . 2_655
N11 Ag1 N34 103.9(5) . 2_655
N25 Ag1 N34 70.0(5) 2_655 2_655
N24 Ag1 N34 14.2(4) 2_655 2_655
N1 Ag1 N35 87.6(4) . 2_655
N11 Ag1 N35 114.3(4) . 2_655
N25 Ag1 N35 20.5(4) 2_655 2_655
N24 Ag1 N35 67.6(5) 2_655 2_655
N34 Ag1 N35 63.6(6) 2_655 2_655
N1 Ag1 Ag2 80.14(17) . .
N11 Ag1 Ag2 78.76(17) . .
N25 Ag1 Ag2 172.8(3) 2_655 .
N24 Ag1 Ag2 111.0(2) 2_655 .
N34 Ag1 Ag2 111.5(4) 2_655 .
N35 Ag1 Ag2 166.6(4) 2_655 .
N2 Ag2 N12 161.7(2) . .
N2 Ag2 N3 71.02(19) . .
N12 Ag2 N3 124.0(2) . .
N2 Ag2 N13 125.30(19) . .
N12 Ag2 N13 70.47(17) . .
N3 Ag2 N13 82.61(17) . .
N2 Ag2 Ag1 82.33(15) . .
N12 Ag2 Ag1 79.54(15) . .
N3 Ag2 Ag1 144.46(12) . .
N13 Ag2 Ag1 132.75(12) . .
N5 Ag3 N18 161.53(18) . .
N5 Ag3 N17 125.65(17) . .
N18 Ag3 N17 71.82(16) . .
N5 Ag3 N4 71.06(16) . .
N18 Ag3 N4 121.67(16) . .
N17 Ag3 N4 81.68(15) . .
N5 Ag3 Ag4 79.06(12) . .
N18 Ag3 Ag4 82.65(13) . .
N17 Ag3 Ag4 144.20(11) . .
N4 Ag3 Ag4 133.87(11) . .
N19 Ag4 N6 154.6(2) . .
N19 Ag4 N8 103.60(19) . 2_655
N6 Ag4 N8 97.9(2) . 2_655
N19 Ag4 N7 100.3(2) . 2_655
N6 Ag4 N7 99.7(2) . 2_655
N8 Ag4 N7 69.32(18) 2_655 2_655
N19 Ag4 Ag3 80.94(13) . .
N6 Ag4 Ag3 77.68(14) . .
N8 Ag4 Ag3 175.46(14) 2_655 .
N7 Ag4 Ag3 109.98(12) 2_655 .
N28 Ag5 N22 161.04(16) 2_655 .
N28 Ag5 N23 126.73(15) 2_655 .
N22 Ag5 N23 72.07(14) . .
N28 Ag5 N27 71.24(15) 2_655 2_655
N22 Ag5 N27 118.34(15) . 2_655
N23 Ag5 N27 82.27(14) . 2_655
N28 Ag5 Ag6 79.75(11) 2_655 .
N22 Ag5 Ag6 82.44(10) . .
N23 Ag5 Ag6 143.08(10) . .
N27 Ag5 Ag6 134.16(10) 2_655 .
N21 Ag6 N29 157.36(16) . 2_655
N21 Ag6 N15 108.40(16) . .
N29 Ag6 N15 92.74(16) 2_655 .
N21 Ag6 N14 95.81(17) . .
N29 Ag6 N14 99.30(17) 2_655 .
N15 Ag6 N14 69.23(15) . .
N21 Ag6 Ag5 82.27(10) . .
N29 Ag6 Ag5 76.90(11) 2_655 .
N15 Ag6 Ag5 169.25(12) . .
N14 Ag6 Ag5 109.22(10) . .
C1 N1 C5 118.8(9) . .
C1 N1 Ag1 112.5(8) . .
C5 N1 Ag1 126.1(6) . .
C8 N2 C5 116.6(6) . .
C8 N2 Ag2 117.8(4) . .
C5 N2 Ag2 125.1(5) . .
C9 N3 C10 118.6(6) . .
C9 N3 Ag2 114.3(4) . .
C10 N3 Ag2 126.2(4) . .
C22 N4 C19 120.8(5) . .
C22 N4 Ag3 111.1(4) . .
C19 N4 Ag3 126.2(3) . .
C23 N5 C27 117.5(5) . .
C23 N5 Ag3 118.5(4) . .
C27 N5 Ag3 123.5(4) . .
C30 N6 C27 116.2(6) . .
C30 N6 Ag4 118.0(4) . .
C27 N6 Ag4 118.3(4) . .
C37 N7 C34 122.3(6) . .
C37 N7 Ag4 115.8(4) . 2_655
C34 N7 Ag4 121.1(4) . 2_655
C38 N8 C42 117.9(5) . .
C38 N8 Ag4 115.7(4) . 2_655
C42 N8 Ag4 126.4(4) . 2_655
C45 N9 C42 115.8(6) . .
C16 N10 C31 121.0(5) . .
C16 N10 C13 118.4(5) . .
C31 N10 C13 120.5(5) . .
N1 C1 C2 121.7(11) . .
N1 C1 H1 119.1 . .
C2 C1 H1 119.1 . .
C1 C2 C3 121.6(10) . .
C1 C2 H2 119.2 . .
C3 C2 H2 119.2 . .
C4 C3 C2 114.1(9) . .
C4 C3 H3 123.0 . .
C2 C3 H3 123.0 . .
C5 C4 C3 121.7(9) . .
C5 C4 C6 117.2(8) . .
C3 C4 C6 120.7(8) . .
N2 C5 C4 123.2(8) . .
N2 C5 N1 114.8(7) . .
C4 C5 N1 121.8(7) . .
C7 C6 C4 119.1(8) . .
C7 C6 H6 120.5 . .
C4 C6 H6 120.5 . .
C6 C7 C8 116.4(8) . .
C6 C7 H7 121.8 . .
C8 C7 H7 121.8 . .
N2 C8 C7 126.3(7) . .
N2 C8 C9 120.0(6) . .
C7 C8 C9 113.6(7) . .
N3 C9 C8 116.3(6) . .
N3 C9 H9 121.9 . .
C8 C9 H9 121.9 . .
C11 C10 C15 118.9(5) . .
C11 C10 N3 123.2(5) . .
C15 C10 N3 117.6(5) . .
C10 C11 C12 120.4(5) . .
C10 C11 H11 119.8 . .
C12 C11 H11 119.8 . .
C11 C12 C13 120.3(6) . .
C11 C12 H12 119.9 . .
C13 C12 H12 119.9 . .
C12 C13 C14 118.9(5) . .
C12 C13 N10 119.0(5) . .
C14 C13 N10 122.2(5) . .
C15 C14 C13 120.6(6) . .
C15 C14 H14 119.7 . .
C13 C14 H14 119.7 . .
C14 C15 C10 120.7(6) . .
C14 C15 H15 119.6 . .
C10 C15 H15 119.6 . .
C17 C16 N10 121.9(5) . .
C17 C16 C21 118.7(5) . .
N10 C16 C21 119.4(5) . .
C16 C17 C18 120.4(5) . .
C16 C17 H17 119.8 . .
C18 C17 H17 119.8 . .
C17 C18 C19 121.2(6) . .
C17 C18 H18 119.4 . .
C19 C18 H18 119.4 . .
C20 C19 C18 118.6(5) . .
C20 C19 N4 124.1(5) . .
C18 C19 N4 117.2(5) . .
C21 C20 C19 119.7(5) . .
C21 C20 H20 120.1 . .
C19 C20 H20 120.1 . .
C20 C21 C16 121.3(5) . .
C20 C21 H21 119.4 . .
C16 C21 H21 119.4 . .
N4 C22 C23 121.2(5) . .
N4 C22 H22 119.4 . .
C23 C22 H22 119.4 . .
N5 C23 C24 123.6(6) . .
N5 C23 C22 117.5(5) . .
C24 C23 C22 118.7(5) . .
C25 C24 C23 118.1(6) . .
C25 C24 H24 120.9 . .
C23 C24 H24 120.9 . .
C24 C25 C26 119.0(6) . .
C24 C25 H25 120.5 . .
C26 C25 H25 120.5 . .
C27 C26 C25 118.5(6) . .
C27 C26 C28 119.0(7) . .
C25 C26 C28 122.5(7) . .
N5 C27 C26 122.9(6) . .
N5 C27 N6 115.2(5) . .
C26 C27 N6 121.8(6) . .
C29 C28 C26 118.6(7) . .
C29 C28 H28 120.7 . .
C26 C28 H28 120.7 . .
C28 C29 C30 118.9(7) . .
C28 C29 H29 120.6 . .
C30 C29 H29 120.6 . .
N6 C30 C29 125.3(7) . .
N6 C30 H30 117.3 . .
C29 C30 H30 117.3 . .
C36 C31 C32 119.5(6) . .
C36 C31 N10 120.4(6) . .
C32 C31 N10 120.0(6) . .
C33 C32 C31 119.9(6) . .
C33 C32 H32 120.1 . .
C31 C32 H32 120.1 . .
C34 C33 C32 121.6(6) . .
C34 C33 H33 119.2 . .
C32 C33 H33 119.2 . .
C33 C34 C35 117.2(6) . .
C33 C34 N7 125.8(6) . .
C35 C34 N7 116.9(6) . .
C36 C35 C34 122.9(6) . .
C36 C35 H35 118.6 . .
C34 C35 H35 118.6 . .
C35 C36 C31 118.9(6) . .
C35 C36 H36 120.5 . .
C31 C36 H36 120.5 . .
N7 C37 C38 121.3(7) . .
N7 C37 H37 119.4 . .
C38 C37 H37 119.4 . .
N8 C38 C39 120.9(6) . .
N8 C38 C37 117.7(6) . .
C39 C38 C37 121.3(7) . .
C40 C39 C38 120.5(8) . .
C40 C39 H39 119.8 . .
C38 C39 H39 119.8 . .
C39 C40 C41 120.8(8) . .
C39 C40 H40 119.6 . .
C41 C40 H40 119.6 . .
C42 C41 C40 116.4(7) . .
C42 C41 C43 119.8(7) . .
C40 C41 C43 123.8(7) . .
N9 C42 N8 114.4(6) . .
N9 C42 C41 122.5(6) . .
N8 C42 C41 123.1(6) . .
C44 C43 C41 117.1(7) . .
C44 C43 H43 121.5 . .
C41 C43 H43 121.5 . .
C43 C44 C45 118.8(7) . .
C43 C44 H44 120.6 . .
C45 C44 H44 120.6 . .
N9 C45 C44 125.8(7) . .
N9 C45 H45 117.1 . .
C44 C45 H45 117.1 . .
C51 N11 C55 114.9(8) . .
C51 N11 Ag1 119.7(7) . .
C55 N11 Ag1 120.9(5) . .
C58 N12 C55 119.0(6) . .
C58 N12 Ag2 117.3(4) . .
C55 N12 Ag2 123.0(5) . .
C59 N13 C60 122.7(5) . .
C59 N13 Ag2 111.4(4) . .
C60 N13 Ag2 123.9(3) . .
C72 N14 C69 122.1(5) . .
C72 N14 Ag6 113.3(4) . .
C69 N14 Ag6 122.9(4) . .
C73 N15 C77 117.3(5) . .
C73 N15 Ag6 114.3(3) . .
C77 N15 Ag6 122.6(4) . .
C80 N16 C77 116.8(5) . .
C87 N17 C84 121.4(5) . .
C87 N17 Ag3 112.3(4) . .
C84 N17 Ag3 124.3(3) . .
C92 N18 C88 118.9(5) . .
C92 N18 Ag3 125.8(4) . .
C88 N18 Ag3 114.7(3) . .
C95 N19 C92 117.0(5) . .
C95 N19 Ag4 113.7(5) . .
C92 N19 Ag4 128.3(4) . .
C66 N20 C63 123.5(5) . .
C66 N20 C81 117.7(5) . .
C63 N20 C81 118.1(4) . .
N11 C51 C52 125.3(10) . .
N11 C51 H51 117.3 . .
C52 C51 H51 117.3 . .
C51 C52 C53 121.1(10) . .
C51 C52 H52 119.5 . .
C53 C52 H52 119.5 . .
C52 C53 C54 114.3(10) . .
C52 C53 H53 122.8 . .
C54 C53 H53 122.8 . .
C56 C54 C55 117.6(7) . .
C56 C54 C53 121.7(8) . .
C55 C54 C53 120.7(9) . .
N12 C55 N11 115.3(7) . .
N12 C55 C54 121.6(7) . .
N11 C55 C54 123.1(7) . .
C57 C56 C54 120.9(8) . .
C57 C56 H56 119.5 . .
C54 C56 H56 119.5 . .
C56 C57 C58 116.8(7) . .
C56 C57 H57 121.6 . .
C58 C57 H57 121.6 . .
N12 C58 C57 123.7(6) . .
N12 C58 C59 118.7(5) . .
C57 C58 C59 117.6(6) . .
N13 C59 C58 120.5(6) . .
N13 C59 H59 119.7 . .
C58 C59 H59 119.7 . .
C61 C60 N13 123.7(5) . .
C61 C60 C65 118.6(5) . .
N13 C60 C65 117.6(5) . .
C62 C61 C60 120.4(5) . .
C62 C61 H61 119.8 . .
C60 C61 H61 119.8 . .
C61 C62 C63 120.0(5) . .
C61 C62 H62 120.0 . .
C63 C62 H62 120.0 . .
C64 C63 C62 120.5(5) . .
C64 C63 N20 120.3(5) . .
C62 C63 N20 119.1(5) . .
C63 C64 C65 119.3(5) . .
C63 C64 H64 120.4 . .
C65 C64 H64 120.4 . .
C64 C65 C60 121.2(5) . .
C64 C65 H65 119.4 . .
C60 C65 H65 119.4 . .
C71 C66 N20 121.1(5) . .
C71 C66 C67 117.8(5) . .
N20 C66 C67 121.2(5) . .
C68 C67 C66 120.1(5) . .
C68 C67 H67 119.9 . .
C66 C67 H67 119.9 . .
C67 C68 C69 121.6(5) . .
C67 C68 H68 119.2 . .
C69 C68 H68 119.2 . .
C70 C69 C68 118.1(5) . .
C70 C69 N14 125.1(5) . .
C68 C69 N14 116.7(5) . .
C69 C70 C71 120.4(6) . .
C69 C70 H70 119.8 . .
C71 C70 H70 119.8 . .
C70 C71 C66 121.0(6) . .
C70 C71 H71 119.5 . .
C66 C71 H71 119.5 . .
N14 C72 C73 122.1(6) . .
N14 C72 H72 118.9 . .
C73 C72 H72 118.9 . .
N15 C73 C74 123.0(6) . .
N15 C73 C72 116.5(5) . .
C74 C73 C72 120.4(6) . .
C73 C74 C75 120.2(6) . .
C73 C74 H74 119.9 . .
C75 C74 H74 119.9 . .
C76 C75 C74 117.1(6) . .
C76 C75 H75 121.4 . .
C74 C75 H75 121.4 . .
C75 C76 C77 120.0(5) . .
C75 C76 C78 122.6(5) . .
C77 C76 C78 117.4(5) . .
N16 C77 N15 114.2(5) . .
N16 C77 C76 123.6(5) . .
N15 C77 C76 122.2(5) . .
C79 C78 C76 118.9(6) . .
C79 C78 H78 120.6 . .
C76 C78 H78 120.6 . .
C78 C79 C80 118.8(6) . .
C78 C79 H79 120.6 . .
C80 C79 H79 120.6 . .
N16 C80 C79 124.5(6) . .
N16 C80 H80 117.8 . .
C79 C80 H80 117.8 . .
C86 C81 C82 120.0(5) . .
C86 C81 N20 120.2(5) . .
C82 C81 N20 119.8(5) . .
C83 C82 C81 119.4(6) . .
C83 C82 H82 120.3 . .
C81 C82 H82 120.3 . .
C82 C83 C84 120.9(6) . .
C82 C83 H83 119.5 . .
C84 C83 H83 119.5 . .
C83 C84 C85 120.1(5) . .
C83 C84 N17 116.7(5) . .
C85 C84 N17 123.2(5) . .
C86 C85 C84 118.1(5) . .
C86 C85 H85 120.9 . .
C84 C85 H85 120.9 . .
C81 C86 C85 121.4(6) . .
C81 C86 H86 119.3 . .
C85 C86 H86 119.3 . .
N17 C87 C88 120.0(5) . .
N17 C87 H87 120.0 . .
C88 C87 H87 120.0 . .
N18 C88 C89 120.8(5) . .
N18 C88 C87 119.0(5) . .
C89 C88 C87 120.1(6) . .
C90 C89 C88 120.4(6) . .
C90 C89 H89 119.8 . .
C88 C89 H89 119.8 . .
C89 C90 C91 120.2(6) . .
C89 C90 H90 119.9 . .
C91 C90 H90 119.9 . .
C90 C91 C93 124.3(6) . .
C90 C91 C92 118.0(6) . .
C93 C91 C92 117.7(6) . .
N18 C92 N19 115.8(5) . .
N18 C92 C91 121.5(6) . .
N19 C92 C91 122.7(5) . .
C94 C93 C91 120.1(6) . .
C94 C93 H93 119.9 . .
C91 C93 H93 119.9 . .
C93 C94 C95 119.2(6) . .
C93 C94 H94 120.4 . .
C95 C94 H94 120.4 . .
N19 C95 C94 123.2(7) . .
N19 C95 H95 118.4 . .
C94 C95 H95 118.4 . .
C101 N21 C105 118.2(5) . .
C101 N21 Ag6 115.9(4) . .
C105 N21 Ag6 125.7(3) . .
C108 N22 C105 118.5(4) . .
C108 N22 Ag5 114.5(3) . .
C105 N22 Ag5 125.4(3) . .
C109 N23 C110 122.8(4) . .
C109 N23 Ag5 112.2(3) . .
C110 N23 Ag5 121.3(3) . .
C122 N24 C119 125.0(10) . .
C122 N24 Ag1 115.8(8) . 2_655
C119 N24 Ag1 118.6(6) . 2_655
C123 N25 C127 119.8(11) . .
C123 N25 Ag1 118.9(8) . 2_655
C127 N25 Ag1 121.3(9) . 2_655
C127 N26 C130 115.9(12) . .
C137 N27 C134 121.9(4) . .
C137 N27 Ag5 110.6(4) . 2_655
C134 N27 Ag5 125.3(3) . 2_655
C138 N28 C142 119.7(4) . .
C138 N28 Ag5 117.8(4) . 2_655
C142 N28 Ag5 121.2(3) . 2_655
C145 N29 C142 118.3(5) . .
C145 N29 Ag6 118.5(4) . 2_655
C142 N29 Ag6 118.4(4) . 2_655
C131 N30 C116 123.3(4) . .
C131 N30 C113 117.5(4) . .
C116 N30 C113 118.9(4) . .
N21 C101 C102 123.1(6) . .
N21 C101 H101 118.5 . .
C102 C101 H101 118.5 . .
C103 C102 C101 120.0(6) . .
C103 C102 H102 120.0 . .
C101 C102 H102 120.0 . .
C102 C103 C104 118.6(6) . .
C102 C103 H103 120.7 . .
C104 C103 H103 120.7 . .
C103 C104 C105 119.2(5) . .
C103 C104 C106 123.8(5) . .
C105 C104 C106 116.9(5) . .
N22 C105 N21 116.5(4) . .
N22 C105 C104 122.7(5) . .
N21 C105 C104 120.8(5) . .
C107 C106 C104 119.3(5) . .
C107 C106 H106 120.4 . .
C104 C106 H106 120.4 . .
C106 C107 C108 119.2(5) . .
C106 C107 H107 120.4 . .
C108 C107 H107 120.4 . .
N22 C108 C107 123.3(5) . .
N22 C108 C109 119.6(4) . .
C107 C108 C109 117.1(5) . .
N23 C109 C108 118.1(5) . .
N23 C109 H109 121.0 . .
C108 C109 H109 121.0 . .
C115 C110 C111 117.8(5) . .
C115 C110 N23 125.5(5) . .
C111 C110 N23 116.7(5) . .
C112 C111 C110 121.5(5) . .
C112 C111 H111 119.3 . .
C110 C111 H111 119.3 . .
C111 C112 C113 119.3(5) . .
C111 C112 H112 120.4 . .
C113 C112 H112 120.4 . .
C114 C113 C112 118.6(5) . .
C114 C113 N30 120.7(5) . .
C112 C113 N30 120.5(5) . .
C115 C114 C113 121.8(5) . .
C115 C114 H114 119.1 . .
C113 C114 H114 119.1 . .
C114 C115 C110 120.9(5) . .
C114 C115 H115 119.6 . .
C110 C115 H115 119.6 . .
C121 C116 N30 120.3(5) . .
C121 C116 C117 118.3(5) . .
N30 C116 C117 121.3(5) . .
C118 C117 C116 120.4(6) . .
C118 C117 H117 119.8 . .
C116 C117 H117 119.8 . .
C117 C118 C119 121.3(6) . .
C117 C118 H118 119.3 . .
C119 C118 H118 119.3 . .
C118 C119 C120 118.5(6) . .
C118 C119 N24 121.9(7) . .
C120 C119 N24 119.6(7) . .
C118 C119 N34 129.4(9) . .
C120 C119 N34 107.3(8) . .
C121 C120 C119 120.8(6) . .
C121 C120 H120 119.6 . .
C119 C120 H120 119.6 . .
C120 C121 C116 120.2(6) . .
C120 C121 H121 119.9 . .
C116 C121 H121 119.9 . .
N24 C122 C123 120.3(12) . .
N24 C122 H122 119.8 . .
C123 C122 H122 119.8 . .
N25 C123 C124 120.5(11) . .
N25 C123 C122 115.9(10) . .
C124 C123 C122 123.5(12) . .
C123 C124 C125 119.3(13) . .
C123 C124 H124 120.3 . .
C125 C124 H124 120.3 . .
C126 C125 C124 121.1(13) . .
C126 C125 H125 119.4 . .
C124 C125 H125 119.4 . .
C125 C126 C127 115.8(12) . .
C125 C126 C128 123.6(13) . .
C127 C126 C128 120.6(12) . .
N25 C127 N26 114.3(11) . .
N25 C127 C126 123.3(12) . .
N26 C127 C126 122.4(11) . .
C129 C128 C126 116.4(14) . .
C129 C128 H128 121.8 . .
C126 C128 H128 121.8 . .
C130 C129 C128 120.7(15) . .
C130 C129 H129 119.7 . .
C128 C129 H129 119.7 . .
N26 C130 C129 123.8(15) . .
N26 C130 H130 118.1 . .
C129 C130 H130 118.1 . .
C132 C131 N30 120.2(5) . .
C132 C131 C136 117.6(5) . .
N30 C131 C136 122.2(5) . .
C133 C132 C131 122.0(5) . .
C133 C132 H132 119.0 . .
C131 C132 H132 119.0 . .
C134 C133 C132 118.9(5) . .
C134 C133 H133 120.5 . .
C132 C133 H133 120.5 . .
C133 C134 C135 120.2(5) . .
C133 C134 N27 122.7(5) . .
C135 C134 N27 117.0(4) . .
C136 C135 C134 120.4(5) . .
C136 C135 H135 119.8 . .
C134 C135 H135 119.8 . .
C135 C136 C131 120.8(5) . .
C135 C136 H136 119.6 . .
C131 C136 H136 119.6 . .
N27 C137 C138 120.4(5) . .
N27 C137 H137 119.8 . .
C138 C137 H137 119.8 . .
N28 C138 C139 122.3(5) . .
N28 C138 C137 119.2(5) . .
C139 C138 C137 118.4(5) . .
C140 C139 C138 118.6(6) . .
C140 C139 H139 120.7 . .
C138 C139 H139 120.7 . .
C139 C140 C141 120.6(6) . .
C139 C140 H140 119.7 . .
C141 C140 H140 119.7 . .
C143 C141 C142 119.7(6) . .
C143 C141 C140 124.2(6) . .
C142 C141 C140 116.1(6) . .
N28 C142 N29 116.8(4) . .
N28 C142 C141 122.4(5) . .
N29 C142 C141 120.8(5) . .
C144 C143 C141 118.0(6) . .
C144 C143 H143 121.0 . .
C141 C143 H143 121.0 . .
C143 C144 C145 120.6(6) . .
C143 C144 H144 119.7 . .
C145 C144 H144 119.7 . .
N29 C145 C144 122.4(6) . .
N29 C145 H145 118.8 . .
C144 C145 H145 118.8 . .
C222 N34 C119 123.8(18) . .
C119 N34 Ag1 108.3(9) . 2_655
C227 N35 C223 120.0(19) . .
C227 N36 C230 109(2) . .
N34 C222 C223 123(2) . .
N34 C222 H222 118.4 . .
C223 C222 H222 118.4 . .
C222 C223 C224 120(2) . .
C222 C223 N35 115(2) . .
C224 C223 N35 123(2) . .
C223 C224 C225 118(2) . .
C223 C224 H224 121.1 . .
C225 C224 H224 121.1 . .
C224 C225 C226 117(2) . .
C224 C225 H225 121.4 . .
C226 C225 H225 121.4 . .
C227 C226 C228 123(2) . .
C227 C226 C225 124(2) . .
C228 C226 C225 114(2) . .
N36 C227 N35 115(2) . .
N36 C227 C226 128(2) . .
N35 C227 C226 118(2) . .
C229 C228 C226 110(2) . .
C229 C228 H228 124.8 . .
C226 C228 H228 124.8 . .
C230 C229 C228 125(3) . .
C230 C229 H229 117.6 . .
C228 C229 H229 117.6 . .
C229 C230 N36 126(3) . .
C229 C230 H230 117.2 . .
N36 C230 H230 117.2 . .
O1A S1A O2A 119.4(8) . .
O1A S1A N1A 116.4(9) . .
O2A S1A N1A 110.6(9) . .
O1A S1A C1A 103.8(9) . .
O2A S1A C1A 107.3(8) . .
N1A S1A C1A 95.8(8) . .
O3A S2A O4A 116.2(10) . .
O3A S2A N1A 124.2(11) . .
O4A S2A N1A 106.6(10) . .
O3A S2A C2A 99.7(10) . .
O4A S2A C2A 99.0(9) . .
N1A S2A C2A 107.4(10) . .
S2A N1A S1A 121.9(11) . .
F2A C1A F1A 107.5(14) . .
F2A C1A F3A 115.7(15) . .
F1A C1A F3A 103.6(14) . .
F2A C1A S1A 112.6(12) . .
F1A C1A S1A 105.6(12) . .
F3A C1A S1A 110.9(13) . .
F5A C2A F6A 113.3(18) . .
F5A C2A F4A 126.7(19) . .
F6A C2A F4A 116.2(17) . .
F5A C2A S2A 101.4(15) . .
F6A C2A S2A 103.0(14) . .
F4A C2A S2A 85.8(11) . .
O2G S1G O1G 117.7(13) . .
O2G S1G N1G 106.2(14) . .
O1G S1G N1G 108.4(13) . .
O2G S1G C1G 110.3(13) . .
O1G S1G C1G 102.3(13) . .
N1G S1G C1G 112.1(14) . .
O4G S2G O3G 117.0(14) . .
O4G S2G N1G 101.5(13) . .
O3G S2G N1G 112.2(14) . .
O4G S2G C2G 107.3(13) . .
O3G S2G C2G 110.9(13) . .
N1G S2G C2G 107.2(14) . .
S1G N1G S2G 125.7(16) . .
F1G C1G F2G 110(2) . .
F1G C1G F3G 107(2) . .
F2G C1G F3G 118(2) . .
F1G C1G S1G 111.9(19) . .
F2G C1G S1G 110.1(18) . .
F3G C1G S1G 100.4(18) . .
F5G C2G F4G 99.3(16) . .
F5G C2G F6G 86.0(19) . .
F4G C2G F6G 102(2) . .
F5G C2G S2G 135.5(19) . .
F4G C2G S2G 108.6(15) . .
F6G C2G S2G 120(2) . .
O1B S1B O2B 123.6(14) . .
O1B S1B N1B 103.8(13) . .
O2B S1B N1B 108.8(14) . .
O1B S1B C1B 101.8(13) . .
O2B S1B C1B 115.2(15) . .
N1B S1B C1B 100.8(12) . .
O3B S2B O4B 105.1(14) . .
O3B S2B N1B 116.0(15) . .
O4B S2B N1B 116.4(13) . .
O3B S2B C2B 114.9(14) . .
O4B S2B C2B 98.4(13) . .
N1B S2B C2B 105.0(13) . .
S1B N1B S2B 130.2(15) . .
F3B C1B F2B 109(2) . .
F3B C1B F1B 121(2) . .
F2B C1B F1B 95.9(19) . .
F3B C1B S1B 108.8(17) . .
F2B C1B S1B 114.1(19) . .
F1B C1B S1B 107.1(17) . .
F5B C2B F4B 135(3) . .
F5B C2B F6B 97(2) . .
F4B C2B F6B 100(2) . .
F5B C2B S2B 108.0(19) . .
F4B C2B S2B 105.0(18) . .
F6B C2B S2B 110.0(19) . .
O1M S1M O2M 119(2) . .
O1M S1M N1M 101.9(16) . .
O2M S1M N1M 108(2) . .
O1M S1M C1M 108.0(15) . .
O2M S1M C1M 106.1(17) . .
N1M S1M C1M 114.6(18) . .
O4M S2M O3M 111(2) . .
O4M S2M N1M 125(2) . .
O3M S2M N1M 95.1(17) . .
O4M S2M C2M 113.2(17) . .
O3M S2M C2M 91.8(17) . .
N1M S2M C2M 113.6(17) . .
S1M N1M S2M 113.4(18) . .
F3M C1M F1M 111(2) . .
F3M C1M F2M 109(2) . .
F1M C1M F2M 110(2) . .
F3M C1M S1M 108(2) . .
F1M C1M S1M 107.5(18) . .
F2M C1M S1M 110.9(17) . .
F4M C2M F5M 105(2) . .
F4M C2M F6M 116(2) . .
F5M C2M F6M 101(2) . .
F4M C2M S2M 120(2) . .
F5M C2M S2M 114(2) . .
F6M C2M S2M 100.8(17) . .
O4N S2N O3N 105(2) . .
O4N S2N N1N 109(2) . .
O3N S2N N1N 114(2) . .
O4N S2N C2N 122(2) . .
O3N S2N C2N 104(2) . .
N1N S2N C2N 102.5(17) . .
O2N S1N O1N 111(3) . .
O2N S1N N1N 117(3) . .
O1N S1N N1N 109(3) . .
O2N S1N C1N 128(3) . .
O1N S1N C1N 99(2) . .
N1N S1N C1N 89.7(18) . .
S2N N1N S1N 130(2) . .
F6N C2N F5N 113(3) . .
F6N C2N F4N 108(3) . .
F5N C2N F4N 106(3) . .
F6N C2N S2N 109(2) . .
F5N C2N S2N 113(3) . .
F4N C2N S2N 108(2) . .
F2N C1N F1N 115(4) . .
F2N C1N F3N 104(3) . .
F1N C1N F3N 107(4) . .
F2N C1N S1N 126(3) . .
F1N C1N S1N 94(2) . .
F3N C1N S1N 110(3) . .
O2C S1C O1C 111.0(13) . .
O2C S1C N1C 107.4(12) . .
O1C S1C N1C 107.8(12) . .
O2C S1C C1C 106.2(12) . .
O1C S1C C1C 110.1(11) . .
N1C S1C C1C 114.4(11) . .
O4C S2C O3C 115.4(15) . .
O4C S2C N1C 114.0(13) . .
O3C S2C N1C 116.2(13) . .
O4C S2C C2C 97.6(12) . .
O3C S2C C2C 106.4(13) . .
N1C S2C C2C 104.2(12) . .
S2C N1C S1C 126.8(12) . .
F3C C1C F1C 112.0(17) . .
F3C C1C F2C 99.8(16) . .
F1C C1C F2C 108.9(16) . .
F3C C1C S1C 115.8(16) . .
F1C C1C S1C 109.9(13) . .
F2C C1C S1C 109.8(15) . .
F5C C2C F4C 115(2) . .
F5C C2C F6C 110(2) . .
F4C C2C F6C 109.7(19) . .
F5C C2C S2C 108.2(16) . .
F4C C2C S2C 107.5(15) . .
F6C C2C S2C 105.5(15) . .
O2I S1I N1I 133.4(13) . .
O2I S1I O1I 109.7(12) . .
N1I S1I O1I 103.9(10) . .
O2I S1I C1I 106.2(10) . .
N1I S1I C1I 102.2(11) . .
O1I S1I C1I 94.7(10) . .
O3I S2I O4I 130.0(15) . .
O3I S2I N1I 114.7(14) . .
O4I S2I N1I 98.6(13) . .
O3I S2I C2I 100.2(13) . .
O4I S2I C2I 112.5(14) . .
N1I S2I C2I 96.2(12) . .
S1I N1I S2I 118.0(13) . .
F2I C1I F1I 100.5(17) . .
F2I C1I F3I 114.5(18) . .
F1I C1I F3I 109.0(17) . .
F2I C1I S1I 111.2(15) . .
F1I C1I S1I 114.5(16) . .
F3I C1I S1I 107.2(13) . .
F5I C2I F4I 115(2) . .
F5I C2I F6I 105(2) . .
F4I C2I F6I 102.1(18) . .
F5I C2I S2I 114.0(19) . .
F4I C2I S2I 105.5(15) . .
F6I C2I S2I 115.3(16) . .
O2D S1D N1D 131.2(19) . .
O2D S1D O1D 103.1(19) . .
N1D S1D O1D 106.8(15) . .
O2D S1D C1D 104.0(17) . .
N1D S1D C1D 110.3(15) . .
O1D S1D C1D 95.7(14) . .
O3D S2D O4D 116.7(18) . .
O3D S2D N1D 106.9(15) . .
O4D S2D N1D 106.8(15) . .
O3D S2D C2D 111.8(16) . .
O4D S2D C2D 108.6(16) . .
N1D S2D C2D 105.4(14) . .
S1D N1D S2D 126.2(17) . .
F2D C1D F3D 122(3) . .
F2D C1D F1D 109(2) . .
F3D C1D F1D 115(3) . .
F2D C1D S1D 105.8(18) . .
F3D C1D S1D 96.7(18) . .
F1D C1D S1D 107(2) . .
F6D C2D F4D 104(3) . .
F6D C2D F5D 103(3) . .
F4D C2D F5D 109(3) . .
F6D C2D S2D 125(3) . .
F4D C2D S2D 102(2) . .
F5D C2D S2D 113(2) . .
O1H S1H O2H 119.7(14) . .
O1H S1H N1H 123.8(15) . .
O2H S1H N1H 97.0(13) . .
O1H S1H C1H 113.6(14) . .
O2H S1H C1H 98.5(14) . .
N1H S1H C1H 99.6(14) . .
O4H S2H O3H 117(2) . .
O4H S2H N1H 117.3(19) . .
O3H S2H N1H 110.7(18) . .
O4H S2H C2H 104.7(19) . .
O3H S2H C2H 101.8(17) . .
N1H S2H C2H 103.3(14) . .
S1H N1H S2H 119.6(16) . .
F2H C1H F1H 107(2) . .
F2H C1H F3H 110(2) . .
F1H C1H F3H 110(2) . .
F2H C1H S1H 105.2(18) . .
F1H C1H S1H 122(2) . .
F3H C1H S1H 103.0(17) . .
F4H C2H F6H 118(3) . .
F4H C2H F5H 120(3) . .
F6H C2H F5H 98(3) . .
F4H C2H S2H 110(3) . .
F6H C2H S2H 104(2) . .
F5H C2H S2H 104(2) . .
O1J S1J O2J 125(2) . .
O1J S1J N1J 103.7(18) . .
O2J S1J N1J 111.8(17) . .
O1J S1J C1J 104.9(15) . .
O2J S1J C1J 105.6(16) . .
N1J S1J C1J 104.2(18) . .
O3J S2J O4J 123(3) . .
O3J S2J N1J 103(2) . .
O4J S2J N1J 115(2) . .
O3J S2J C2J 106(2) . .
O4J S2J C2J 100(2) . .
N1J S2J C2J 108(2) . .
F2J C1J F3J 98(2) . .
F2J C1J F1J 123(2) . .
F3J C1J F1J 116(2) . .
F2J C1J S1J 109(2) . .
F3J C1J S1J 100.4(19) . .
F1J C1J S1J 107.5(18) . .
S2J N1J S1J 123(2) . .
F6J C2J F4J 107(3) . .
F6J C2J F5J 119(3) . .
F4J C2J F5J 98(3) . .
F6J C2J S2J 105(2) . .
F4J C2J S2J 121(3) . .
F5J C2J S2J 108(3) . .
N1S C1S C2S 163(3) . .
C1S C2S H2S1 109.5 . .
C1S C2S H2S2 109.5 . .
H2S1 C2S H2S2 109.5 . .
C1S C2S H2S3 109.5 . .
H2S1 C2S H2S3 109.5 . .
H2S2 C2S H2S3 109.5 . .
N2S C3S C4S 158(2) . .
N2S C3S C4X 160(2) . .
N3S C5S C6S 173(2) . .
C5S C6S H6S1 109.5 . .
C5S C6S H6S2 109.5 . .
H6S1 C6S H6S2 109.5 . .
C5S C6S H6S3 109.5 . .
H6S1 C6S H6S3 109.5 . .
H6S2 C6S H6S3 109.5 . .
N4S C7S C8S 177.6(14) . .
C7S C8S H8S1 109.5 . .
C7S C8S H8S2 109.5 . .
H8S1 C8S H8S2 109.5 . .
C7S C8S H8S3 109.5 . .
H8S1 C8S H8S3 109.5 . .
H8S2 C8S H8S3 109.5 . .
N5S C9S C10S 171.5(12) . .
C9S C10S H10A 109.5 . .
C9S C10S H10B 109.5 . .
H10A C10S H10B 109.5 . .
C9S C10S H10C 109.5 . .
H10A C10S H10C 109.5 . .
H10B C10S H10C 109.5 . .
N6S C11S C12S 171(2) . .
C35S O1S C32S 121.2(11) . .
O1S C32S C33S 113.1(13) . .
O1S C32S C34S 105.1(13) . .
C33S C32S C34S 112.3(17) . .
O1S C32S H32S 108.7 . .
C33S C32S H32S 108.7 . .
C34S C32S H32S 108.7 . .
C32S C33S H33A 109.5 . .
C32S C33S H33B 109.5 . .
H33A C33S H33B 109.5 . .
C32S C33S H33C 109.5 . .
H33A C33S H33C 109.5 . .
H33B C33S H33C 109.5 . .
C32S C34S H34A 109.5 . .
C32S C34S H34B 109.5 . .
H34A C34S H34B 109.5 . .
C32S C34S H34C 109.5 . .
H34A C34S H34C 109.5 . .
H34B C34S H34C 109.5 . .
O1S C35S C37S 112.3(13) . .
O1S C35S C36S 109.5(13) . .
C37S C35S C36S 115.2(14) . .
O1S C35S H35S 106.4 . .
C37S C35S H35S 106.4 . .
C36S C35S H35S 106.4 . .
C35S C36S H36A 109.5 . .
C35S C36S H36B 109.5 . .
H36A C36S H36B 109.5 . .
C35S C36S H36C 109.5 . .
H36A C36S H36C 109.5 . .
H36B C36S H36C 109.5 . .
C35S C37S H37A 109.5 . .
C35S C37S H37B 109.5 . .
H37A C37S H37B 109.5 . .
C35S C37S H37C 109.5 . .
H37A C37S H37C 109.5 . .
H37B C37S H37C 109.5 . .
N7S C13S C14S 165(3) . .
N7A C13A C14A 146(4) . .
O2K S1K O1K 113.2(15) . .
O2K S1K N1K 122.9(10) . .
O1K S1K N1K 107.0(15) . .
O2K S1K C1K 101.8(11) . .
O1K S1K C1K 110.2(15) . .
N1K S1K C1K 100.3(11) . .
O4K S2K O3K 116.5(14) . .
O4K S2K N1K 118.2(12) . .
O3K S2K N1K 110.5(13) . .
O4K S2K C2K 107.5(13) . .
O3K S2K C2K 107.0(13) . .
N1K S2K C2K 94.0(12) . .
F2K C1K F3K 102(2) . .
F2K C1K F1K 119(2) . .
F3K C1K F1K 108.1(19) . .
F2K C1K S1K 110.0(18) . .
F3K C1K S1K 111.2(16) . .
F1K C1K S1K 107.0(14) . .
F5K C2K F4K 104(2) . .
F5K C2K F6K 106(2) . .
F4K C2K F6K 120(3) . .
F5K C2K S2K 110(2) . .
F4K C2K S2K 109.4(19) . .
F6K C2K S2K 107(2) . .
S2K N1K S1K 123.4(13) . .
O2L S1L O1L 113.9(15) . .
O2L S1L N1L 118.8(14) . .
O1L S1L N1L 93.7(11) . .
O2L S1L C1L 105.9(14) . .
O1L S1L C1L 109.5(11) . .
N1L S1L C1L 114.8(13) . .
O4L S2L O3L 114.6(17) . .
O4L S2L N1L 113.0(15) . .
O3L S2L N1L 110.4(15) . .
O4L S2L C2L 109.7(15) . .
O3L S2L C2L 91.4(15) . .
N1L S2L C2L 116.0(15) . .
F1L C1L F2L 102(2) . .
F1L C1L F3L 99(2) . .
F2L C1L F3L 117(2) . .
F1L C1L S1L 122(2) . .
F2L C1L S1L 105.8(17) . .
F3L C1L S1L 110.3(17) . .
S2L N1L S1L 114.3(13) . .
F6L C2L F4L 121(3) . .
F6L C2L F5L 99(3) . .
F4L C2L F5L 123(3) . .
F6L C2L S2L 114(2) . .
F4L C2L S2L 106(2) . .
F5L C2L S2L 90(2) . .
N9S C17S C18S 174(5) . .
O2' S1 O4' 121.9(7) . .
O3'' S1 O1'' 116.4(7) . .
O3 S1 O4 117.7(6) . .
O3 S1 O2 114.3(6) . .
O4 S1 O2 111.0(6) . .
O3'' S1 O2'' 110.6(7) . .
O1'' S1 O2'' 108.5(7) . .
O3'' S1 O4'' 106.9(7) . .
O1'' S1 O4'' 110.3(8) . .
O2'' S1 O4'' 103.4(7) . .
O2' S1 O1' 111.1(7) . .
O4' S1 O1' 107.0(7) . .
O2' S1 O3' 109.5(7) . .
O4' S1 O3' 106.6(6) . .
O1' S1 O3' 98.1(6) . .
O3 S1 O1 105.8(5) . .
O4 S1 O1 102.5(2) . .
O2 S1 O1 103.5(5) . .
S1 O1 H1Z 112.6(6) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 N1 2.260(9) .
Ag1 N11 2.264(8) .
Ag1 N25 2.361(11) 2_655
Ag1 N24 2.452(10) 2_655
Ag1 N34 2.548(19) 2_655
Ag1 N35 2.58(2) 2_655
Ag1 Ag2 2.8526(8) .
Ag2 N2 2.273(6) .
Ag2 N12 2.288(5) .
Ag2 N3 2.408(6) .
Ag2 N13 2.453(5) .
Ag3 N5 2.250(5) .
Ag3 N18 2.278(5) .
Ag3 N17 2.407(5) .
Ag3 N4 2.477(4) .
Ag3 Ag4 2.8682(6) .
Ag4 N19 2.250(5) .
Ag4 N6 2.269(5) .
Ag4 N8 2.409(5) 2_655
Ag4 N7 2.427(6) 2_655
Ag5 N28 2.247(4) 2_655
Ag5 N22 2.273(4) .
Ag5 N23 2.385(4) .
Ag5 N27 2.478(4) 2_655
Ag5 Ag6 2.8249(5) .
Ag6 N21 2.280(4) .
Ag6 N29 2.309(4) 2_655
Ag6 N15 2.389(4) .
Ag6 N14 2.468(5) .
N1 C1 1.298(10) .
N1 C5 1.386(10) .
N2 C8 1.280(8) .
N2 C5 1.370(8) .
N3 C9 1.307(8) .
N3 C10 1.427(7) .
N4 C22 1.265(7) .
N4 C19 1.414(7) .
N5 C23 1.330(7) .
N5 C27 1.342(7) .
N6 C30 1.317(8) .
N6 C27 1.409(8) .
N7 C37 1.283(8) .
N7 C34 1.410(7) .
N8 C38 1.352(8) .
N8 C42 1.357(8) .
N9 C45 1.333(8) .
N9 C42 1.354(8) .
N10 C16 1.397(7) .
N10 C31 1.426(7) .
N10 C13 1.427(7) .
C1 C2 1.398(13) .
C1 H1 0.9500 .
C2 C3 1.433(13) .
C2 H2 0.9500 .
C3 C4 1.391(11) .
C3 H3 0.9500 .
C4 C5 1.375(10) .
C4 C6 1.440(11) .
C6 C7 1.363(10) .
C6 H6 0.9500 .
C7 C8 1.426(9) .
C7 H7 0.9500 .
C8 C9 1.501(9) .
C9 H9 0.9500 .
C10 C11 1.386(8) .
C10 C15 1.400(8) .
C11 C12 1.389(8) .
C11 H11 0.9500 .
C12 C13 1.397(8) .
C12 H12 0.9500 .
C13 C14 1.398(8) .
C14 C15 1.368(8) .
C14 H14 0.9500 .
C15 H15 0.9500 .
C16 C17 1.376(8) .
C16 C21 1.411(8) .
C17 C18 1.380(8) .
C17 H17 0.9500 .
C18 C19 1.404(7) .
C18 H18 0.9500 .
C19 C20 1.397(7) .
C20 C21 1.379(8) .
C20 H20 0.9500 .
C21 H21 0.9500 .
C22 C23 1.481(8) .
C22 H22 0.9500 .
C23 C24 1.397(8) .
C24 C25 1.380(9) .
C24 H24 0.9500 .
C25 C26 1.392(9) .
C25 H25 0.9500 .
C26 C27 1.390(9) .
C26 C28 1.418(10) .
C28 C29 1.371(11) .
C28 H28 0.9500 .
C29 C30 1.396(10) .
C29 H29 0.9500 .
C30 H30 0.9500 .
C31 C36 1.385(8) .
C31 C32 1.392(9) .
C32 C33 1.391(9) .
C32 H32 0.9500 .
C33 C34 1.370(9) .
C33 H33 0.9500 .
C34 C35 1.393(8) .
C35 C36 1.377(8) .
C35 H35 0.9500 .
C36 H36 0.9500 .
C37 C38 1.452(9) .
C37 H37 0.9500 .
C38 C39 1.406(9) .
C39 C40 1.304(10) .
C39 H39 0.9500 .
C40 C41 1.420(10) .
C40 H40 0.9500 .
C41 C42 1.388(9) .
C41 C43 1.441(10) .
C43 C44 1.347(10) .
C43 H43 0.9500 .
C44 C45 1.402(10) .
C44 H44 0.9500 .
C45 H45 0.9500 .
N11 C51 1.301(10) .
N11 C55 1.391(9) .
N12 C58 1.293(8) .
N12 C55 1.352(8) .
N13 C59 1.275(7) .
N13 C60 1.397(7) .
N14 C72 1.266(7) .
N14 C69 1.414(7) .
N15 C73 1.357(7) .
N15 C77 1.363(7) .
N16 C80 1.335(8) .
N16 C77 1.354(7) .
N17 C87 1.288(7) .
N17 C84 1.437(7) .
N18 C92 1.351(7) .
N18 C88 1.352(7) .
N19 C95 1.352(8) .
N19 C92 1.382(7) .
N20 C66 1.400(7) .
N20 C63 1.417(7) .
N20 C81 1.442(7) .
C51 C52 1.402(13) .
C51 H51 0.9500 .
C52 C53 1.406(13) .
C52 H52 0.9500 .
C53 C54 1.406(10) .
C53 H53 0.9500 .
C54 C56 1.397(10) .
C54 C55 1.405(10) .
C56 C57 1.349(10) .
C56 H56 0.9500 .
C57 C58 1.430(8) .
C57 H57 0.9500 .
C58 C59 1.470(8) .
C59 H59 0.9500 .
C60 C61 1.389(7) .
C60 C65 1.406(7) .
C61 C62 1.383(8) .
C61 H61 0.9500 .
C62 C63 1.393(7) .
C62 H62 0.9500 .
C63 C64 1.378(8) .
C64 C65 1.380(8) .
C64 H64 0.9500 .
C65 H65 0.9500 .
C66 C71 1.392(8) .
C66 C67 1.412(7) .
C67 C68 1.347(7) .
C67 H67 0.9500 .
C68 C69 1.408(8) .
C68 H68 0.9500 .
C69 C70 1.379(8) .
C70 C71 1.379(8) .
C70 H70 0.9500 .
C71 H71 0.9500 .
C72 C73 1.467(8) .
C72 H72 0.9500 .
C73 C74 1.381(8) .
C74 C75 1.401(9) .
C74 H74 0.9500 .
C75 C76 1.396(8) .
C75 H75 0.9500 .
C76 C77 1.401(7) .
C76 C78 1.428(8) .
C78 C79 1.371(9) .
C78 H78 0.9500 .
C79 C80 1.391(8) .
C79 H79 0.9500 .
C80 H80 0.9500 .
C81 C86 1.371(8) .
C81 C82 1.389(8) .
C82 C83 1.366(8) .
C82 H82 0.9500 .
C83 C84 1.381(8) .
C83 H83 0.9500 .
C84 C85 1.401(8) .
C85 C86 1.381(8) .
C85 H85 0.9500 .
C86 H86 0.9500 .
C87 C88 1.450(8) .
C87 H87 0.9500 .
C88 C89 1.408(8) .
C89 C90 1.335(8) .
C89 H89 0.9500 .
C90 C91 1.384(9) .
C90 H90 0.9500 .
C91 C93 1.409(9) .
C91 C92 1.418(8) .
C93 C94 1.365(9) .
C93 H93 0.9500 .
C94 C95 1.413(9) .
C94 H94 0.9500 .
C95 H95 0.9500 .
N21 C101 1.324(7) .
N21 C105 1.379(7) .
N22 C108 1.305(6) .
N22 C105 1.360(6) .
N23 C109 1.285(6) .
N23 C110 1.405(6) .
N24 C122 1.265(12) .
N24 C119 1.406(10) .
N25 C123 1.334(12) .
N25 C127 1.374(12) .
N26 C127 1.376(13) .
N26 C130 1.376(13) .
N27 C137 1.292(7) .
N27 C134 1.433(7) .
N28 C138 1.322(7) .
N28 C142 1.331(7) .
N29 C145 1.332(7) .
N29 C142 1.363(7) .
N30 C131 1.396(7) .
N30 C116 1.405(7) .
N30 C113 1.433(7) .
C101 C102 1.384(8) .
C101 H101 0.9500 .
C102 C103 1.369(9) .
C102 H102 0.9500 .
C103 C104 1.389(8) .
C103 H103 0.9500 .
C104 C105 1.407(7) .
C104 C106 1.435(8) .
C106 C107 1.349(8) .
C106 H106 0.9500 .
C107 C108 1.420(7) .
C107 H107 0.9500 .
C108 C109 1.492(7) .
C109 H109 0.9500 .
C110 C115 1.390(7) .
C110 C111 1.399(7) .
C111 C112 1.392(7) .
C111 H111 0.9500 .
C112 C113 1.396(7) .
C112 H112 0.9500 .
C113 C114 1.388(7) .
C114 C115 1.360(7) .
C114 H114 0.9500 .
C115 H115 0.9500 .
C116 C121 1.405(8) .
C116 C117 1.417(8) .
C117 C118 1.357(8) .
C117 H117 0.9500 .
C118 C119 1.393(9) .
C118 H118 0.9500 .
C119 C120 1.400(9) .
C119 N34 1.53(2) .
C120 C121 1.373(8) .
C120 H120 0.9500 .
C121 H121 0.9500 .
C122 C123 1.491(13) .
C122 H122 0.9500 .
C123 C124 1.379(13) .
C124 C125 1.408(14) .
C124 H124 0.9500 .
C125 C126 1.386(14) .
C125 H125 0.9500 .
C126 C127 1.388(13) .
C126 C128 1.423(14) .
C128 C129 1.385(15) .
C128 H128 0.9500 .
C129 C130 1.380(14) .
C129 H129 0.9500 .
C130 H130 0.9500 .
C131 C132 1.392(7) .
C131 C136 1.404(7) .
C132 C133 1.385(8) .
C132 H132 0.9500 .
C133 C134 1.384(7) .
C133 H133 0.9500 .
C134 C135 1.387(7) .
C135 C136 1.371(7) .
C135 H135 0.9500 .
C136 H136 0.9500 .
C137 C138 1.459(8) .
C137 H137 0.9500 .
C138 C139 1.415(7) .
C139 C140 1.334(9) .
C139 H139 0.9500 .
C140 C141 1.434(9) .
C140 H140 0.9500 .
C141 C143 1.404(9) .
C141 C142 1.411(7) .
C143 C144 1.345(9) .
C143 H143 0.9500 .
C144 C145 1.406(8) .
C144 H144 0.9500 .
C145 H145 0.9500 .
N34 C222 1.28(3) .
N35 C227 1.39(2) .
N35 C223 1.41(2) .
N36 C227 1.38(2) .
N36 C230 1.40(2) .
C222 C223 1.39(3) .
C222 H222 0.9500 .
C223 C224 1.40(2) .
C224 C225 1.43(2) .
C224 H224 0.9500 .
C225 C226 1.44(2) .
C225 H225 0.9500 .
C226 C227 1.395(18) .
C226 C228 1.41(2) .
C228 C229 1.40(3) .
C228 H228 0.9500 .
C229 C230 1.40(2) .
C229 H229 0.9500 .
C230 H230 0.9500 .
S1A O1A 1.442(14) .
S1A O2A 1.465(13) .
S1A N1A 1.576(14) .
S1A C1A 1.780(16) .
S2A O3A 1.421(14) .
S2A O4A 1.454(14) .
S2A N1A 1.516(15) .
S2A C2A 1.901(18) .
F1A C1A 1.363(17) .
F2A C1A 1.293(17) .
F3A C1A 1.409(19) .
F4A C2A 1.42(2) .
F5A C2A 1.26(2) .
F6A C2A 1.321(19) .
S1G O2G 1.406(17) .
S1G O1G 1.545(17) .
S1G N1G 1.595(19) .
S1G C1G 1.78(2) .
S2G O4G 1.404(19) .
S2G O3G 1.410(17) .
S2G N1G 1.63(2) .
S2G C2G 1.870(19) .
F1G C1G 1.29(2) .
F2G C1G 1.30(2) .
F5G C2G 1.36(2) .
F3G C1G 1.38(2) .
F4G C2G 1.37(2) .
F6G C2G 1.39(2) .
S1B O1B 1.371(16) .
S1B O2B 1.471(19) .
S1B N1B 1.576(18) .
S1B C1B 1.80(2) .
S2B O3B 1.38(2) .
S2B O4B 1.392(17) .
S2B N1B 1.583(17) .
S2B C2B 1.81(2) .
F1B C1B 1.36(2) .
F2B C1B 1.27(2) .
F3B C1B 1.23(2) .
F4B C2B 1.29(2) .
F5B C2B 1.23(2) .
F6B C2B 1.32(2) .
S1M O1M 1.43(2) .
S1M O2M 1.46(2) .
S1M N1M 1.57(2) .
S1M C1M 1.80(2) .
S2M O4M 1.40(2) .
S2M O3M 1.55(2) .
S2M N1M 1.62(2) .
S2M C2M 1.84(2) .
F1M C1M 1.33(2) .
F5M C2M 1.33(3) .
F4M C2M 1.31(2) .
F2M C1M 1.33(2) .
F3M C1M 1.30(2) .
F6M C2M 1.36(3) .
S2N O4N 1.40(2) .
S2N O3N 1.47(2) .
S2N N1N 1.59(2) .
S2N C2N 1.81(2) .
S1N O2N 1.35(2) .
S1N O1N 1.46(3) .
S1N N1N 1.64(2) .
S1N C1N 1.87(2) .
F1N C1N 1.27(3) .
F3N C1N 1.33(3) .
F2N C1N 1.27(3) .
F5N C2N 1.32(3) .
C2N F6N 1.31(3) .
C2N F4N 1.36(3) .
S1C O2C 1.442(16) .
S1C O1C 1.519(18) .
S1C N1C 1.623(17) .
S1C C1C 1.764(19) .
S2C O4C 1.410(18) .
S2C O3C 1.459(19) .
S2C N1C 1.527(18) .
S2C C2C 1.86(2) .
F1C C1C 1.34(2) .
F2C C1C 1.36(2) .
F3C C1C 1.29(2) .
F4C C2C 1.29(2) .
F5C C2C 1.29(2) .
F6C C2C 1.35(2) .
S1I O2I 1.346(16) .
S1I N1I 1.460(17) .
S1I O1I 1.531(16) .
S1I C1I 1.861(18) .
S2I O3I 1.397(18) .
S2I O4I 1.405(19) .
S2I N1I 1.684(19) .
S2I C2I 1.85(2) .
F4I C2I 1.33(2) .
F2I C1I 1.31(2) .
F1I C1I 1.33(2) .
F3I C1I 1.37(2) .
F6I C2I 1.34(2) .
F5I C2I 1.26(2) .
S1D O2D 1.45(2) .
S1D N1D 1.474(19) .
S1D O1D 1.48(2) .
S1D C1D 1.87(2) .
S2D O3D 1.41(2) .
S2D O4D 1.47(2) .
S2D N1D 1.647(19) .
S2D C2D 1.90(2) .
F1D C1D 1.37(3) .
F2D C1D 1.27(2) .
F3D C1D 1.28(2) .
F4D C2D 1.35(3) .
F5D C2D 1.39(3) .
F6D C2D 1.31(3) .
S1H O1H 1.406(17) .
S1H O2H 1.509(19) .
S1H N1H 1.57(2) .
S1H C1H 1.84(2) .
S2H O4H 1.46(2) .
S2H O3H 1.47(2) .
S2H N1H 1.66(2) .
S2H C2H 1.81(2) .
C1H F2H 1.34(2) .
C1H F1H 1.36(2) .
C1H F3H 1.36(2) .
F5H C2H 1.32(3) .
F4H C2H 1.28(3) .
F6H C2H 1.29(3) .
S1J O1J 1.41(2) .
S1J O2J 1.44(2) .
S1J N1J 1.62(2) .
S1J C1J 1.83(2) .
S2J O3J 1.43(2) .
S2J O4J 1.49(2) .
S2J N1J 1.60(2) .
S2J C2J 1.85(2) .
C1J F2J 1.32(3) .
C1J F3J 1.35(3) .
C1J F1J 1.37(2) .
F4J C2J 1.33(3) .
F5J C2J 1.35(3) .
C2J F6J 1.33(3) .
N1S C1S 1.177(13) .
C1S C2S 1.423(14) .
C2S H2S1 0.9800 .
C2S H2S2 0.9800 .
C2S H2S3 0.9800 .
N2S C3S 1.096(9) .
C3S C4S 1.542(14) .
C3S C4X 1.57(2) .
N3S C5S 1.133(11) .
C5S C6S 1.452(13) .
C6S H6S1 0.9800 .
C6S H6S2 0.9800 .
C6S H6S3 0.9800 .
N4S C7S 1.166(11) .
C7S C8S 1.400(12) .
C8S H8S1 0.9800 .
C8S H8S2 0.9800 .
C8S H8S3 0.9800 .
N5S C9S 1.101(9) .
C9S C10S 1.478(11) .
C10S H10A 0.9800 .
C10S H10B 0.9800 .
C10S H10C 0.9800 .
N6S C11S 1.166(14) .
C11S C12S 1.440(15) .
O1S C35S 1.423(12) .
O1S C32S 1.429(12) .
C32S C33S 1.471(19) .
C32S C34S 1.57(2) .
C32S H32S 1.0000 .
C33S H33A 0.9800 .
C33S H33B 0.9800 .
C33S H33C 0.9800 .
C34S H34A 0.9800 .
C34S H34B 0.9800 .
C34S H34C 0.9800 .
C35S C37S 1.465(17) .
C35S C36S 1.469(18) .
C35S H35S 1.0000 .
C36S H36A 0.9800 .
C36S H36B 0.9800 .
C36S H36C 0.9800 .
C37S H37A 0.9800 .
C37S H37B 0.9800 .
C37S H37C 0.9800 .
N7S C13S 1.158(14) .
C13S C14S 1.447(15) .
N7A C13A 1.191(18) .
C13A C14A 1.486(19) .
S1K O2K 1.393(14) .
S1K O1K 1.46(2) .
S1K N1K 1.656(18) .
S1K C1K 1.87(2) .
S2K O4K 1.392(17) .
S2K O3K 1.439(19) .
S2K N1K 1.631(18) .
S2K C2K 1.88(2) .
F2K C1K 1.30(2) .
F1K C1K 1.39(2) .
F3K C1K 1.33(2) .
F4K C2K 1.22(2) .
F5K C2K 1.21(2) .
F6K C2K 1.31(2) .
S1L O2L 1.45(2) .
S1L O1L 1.463(16) .
S1L N1L 1.652(18) .
S1L C1L 1.80(2) .
S2L O4L 1.404(19) .
S2L O3L 1.50(2) .
S2L N1L 1.563(19) .
S2L C2L 1.83(2) .
F2L C1L 1.36(2) .
F4L C2L 1.32(2) .
F1L C1L 1.22(2) .
F5L C2L 1.38(3) .
F3L C1L 1.36(2) .
C2L F6L 1.24(2) .
N9S C17S 1.152(16) .
C17S C18S 1.449(16) .
S1 O3 1.369(10) .
S1 O2' 1.383(11) .
S1 O4' 1.409(11) .
S1 O3'' 1.429(11) .
S1 O1'' 1.437(11) .
S1 O4 1.478(6) .
S1 O2 1.482(10) .
S1 O2'' 1.524(11) .
S1 O4'' 1.539(11) .
S1 O1' 1.551(10) .
S1 O3' 1.569(10) .
S1 O1 1.572(6) .
O1 H1Z 0.82000(11) .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
C5 N1 C1 C2 -2.4(16) . .
Ag1 N1 C1 C2 -165.2(10) . .
N1 C1 C2 C3 5.3(19) . .
C1 C2 C3 C4 -4.5(17) . .
C2 C3 C4 C5 1.2(14) . .
C2 C3 C4 C6 174.2(12) . .
C8 N2 C5 C4 -4.1(12) . .
Ag2 N2 C5 C4 167.8(6) . .
C8 N2 C5 N1 179.2(8) . .
Ag2 N2 C5 N1 -8.9(10) . .
C3 C4 C5 N2 -175.0(9) . .
C6 C4 C5 N2 11.8(13) . .
C3 C4 C5 N1 1.5(13) . .
C6 C4 C5 N1 -171.7(10) . .
C1 N1 C5 N2 175.8(10) . .
Ag1 N1 C5 N2 -24.0(10) . .
C1 N1 C5 C4 -1.0(13) . .
Ag1 N1 C5 C4 159.2(7) . .
C5 C4 C6 C7 -11.1(15) . .
C3 C4 C6 C7 175.6(10) . .
C4 C6 C7 C8 3.4(15) . .
C5 N2 C8 C7 -4.7(13) . .
Ag2 N2 C8 C7 -177.3(7) . .
C5 N2 C8 C9 179.2(7) . .
Ag2 N2 C8 C9 6.7(10) . .
C6 C7 C8 N2 4.9(15) . .
C6 C7 C8 C9 -178.8(9) . .
C10 N3 C9 C8 -174.1(6) . .
Ag2 N3 C9 C8 -4.3(8) . .
N2 C8 C9 N3 -1.3(11) . .
C7 C8 C9 N3 -177.8(7) . .
C9 N3 C10 C11 28.7(9) . .
Ag2 N3 C10 C11 -139.7(5) . .
C9 N3 C10 C15 -156.7(6) . .
Ag2 N3 C10 C15 34.9(8) . .
C15 C10 C11 C12 3.8(9) . .
N3 C10 C11 C12 178.4(5) . .
C10 C11 C12 C13 -0.3(9) . .
C11 C12 C13 C14 -1.4(9) . .
C11 C12 C13 N10 179.1(5) . .
C16 N10 C13 C12 48.6(8) . .
C31 N10 C13 C12 -134.4(6) . .
C16 N10 C13 C14 -131.0(6) . .
C31 N10 C13 C14 46.1(9) . .
C12 C13 C14 C15 -0.6(10) . .
N10 C13 C14 C15 178.9(6) . .
C13 C14 C15 C10 4.2(10) . .
C11 C10 C15 C14 -5.8(10) . .
N3 C10 C15 C14 179.3(6) . .
C31 N10 C16 C17 48.6(8) . .
C13 N10 C16 C17 -134.4(6) . .
C31 N10 C16 C21 -131.8(6) . .
C13 N10 C16 C21 45.3(8) . .
N10 C16 C17 C18 177.6(6) . .
C21 C16 C17 C18 -2.0(9) . .
C16 C17 C18 C19 0.7(9) . .
C17 C18 C19 C20 1.1(9) . .
C17 C18 C19 N4 -174.9(5) . .
C22 N4 C19 C20 21.3(8) . .
Ag3 N4 C19 C20 -142.0(5) . .
C22 N4 C19 C18 -163.0(6) . .
Ag3 N4 C19 C18 33.8(7) . .
C18 C19 C20 C21 -1.6(8) . .
N4 C19 C20 C21 174.1(5) . .
C19 C20 C21 C16 0.3(9) . .
C17 C16 C21 C20 1.5(9) . .
N10 C16 C21 C20 -178.1(5) . .
C19 N4 C22 C23 -172.1(5) . .
Ag3 N4 C22 C23 -6.5(7) . .
C27 N5 C23 C24 2.7(10) . .
Ag3 N5 C23 C24 -169.9(5) . .
C27 N5 C23 C22 177.8(6) . .
Ag3 N5 C23 C22 5.3(8) . .
N4 C22 C23 N5 1.5(9) . .
N4 C22 C23 C24 176.9(6) . .
N5 C23 C24 C25 0.5(11) . .
C22 C23 C24 C25 -174.5(7) . .
C23 C24 C25 C26 -0.8(13) . .
C24 C25 C26 C27 -2.0(14) . .
C24 C25 C26 C28 178.0(10) . .
C23 N5 C27 C26 -5.7(11) . .
Ag3 N5 C27 C26 166.4(6) . .
C23 N5 C27 N6 176.3(6) . .
Ag3 N5 C27 N6 -11.6(8) . .
C25 C26 C27 N5 5.5(13) . .
C28 C26 C27 N5 -174.5(8) . .
C25 C26 C27 N6 -176.6(8) . .
C28 C26 C27 N6 3.3(14) . .
C30 N6 C27 N5 175.7(7) . .
Ag4 N6 C27 N5 -35.0(8) . .
C30 N6 C27 C26 -2.3(11) . .
Ag4 N6 C27 C26 147.0(7) . .
C27 C26 C28 C29 -1.4(16) . .
C25 C26 C28 C29 178.5(11) . .
C26 C28 C29 C30 -1.2(18) . .
C27 N6 C30 C29 -0.5(14) . .
Ag4 N6 C30 C29 -149.9(9) . .
C28 C29 C30 N6 2.3(18) . .
C16 N10 C31 C36 23.3(9) . .
C13 N10 C31 C36 -153.7(6) . .
C16 N10 C31 C32 -161.7(7) . .
C13 N10 C31 C32 21.3(9) . .
C36 C31 C32 C33 -1.9(12) . .
N10 C31 C32 C33 -177.0(7) . .
C31 C32 C33 C34 4.1(14) . .
C32 C33 C34 C35 -3.9(12) . .
C32 C33 C34 N7 172.3(8) . .
C37 N7 C34 C33 21.9(12) . .
Ag4 N7 C34 C33 -147.3(7) 2_655 .
C37 N7 C34 C35 -161.9(7) . .
Ag4 N7 C34 C35 28.8(9) 2_655 .
C33 C34 C35 C36 1.7(11) . .
N7 C34 C35 C36 -174.8(7) . .
C34 C35 C36 C31 0.4(10) . .
C32 C31 C36 C35 -0.2(10) . .
N10 C31 C36 C35 174.8(6) . .
C34 N7 C37 C38 -173.4(7) . .
Ag4 N7 C37 C38 -3.6(10) 2_655 .
C42 N8 C38 C39 -2.1(12) . .
Ag4 N8 C38 C39 178.0(8) 2_655 .
C42 N8 C38 C37 174.6(7) . .
Ag4 N8 C38 C37 -5.4(10) 2_655 .
N7 C37 C38 N8 6.2(12) . .
N7 C37 C38 C39 -177.1(9) . .
N8 C38 C39 C40 -3.1(17) . .
C37 C38 C39 C40 -179.7(11) . .
C38 C39 C40 C41 7(2) . .
C39 C40 C41 C42 -4.7(17) . .
C39 C40 C41 C43 177.0(12) . .
C45 N9 C42 N8 -179.2(6) . .
C45 N9 C42 C41 -2.1(11) . .
C38 N8 C42 N9 -179.1(7) . .
Ag4 N8 C42 N9 0.9(9) 2_655 .
C38 N8 C42 C41 3.8(11) . .
Ag4 N8 C42 C41 -176.2(6) 2_655 .
C40 C41 C42 N9 -177.5(9) . .
C43 C41 C42 N9 0.9(13) . .
C40 C41 C42 N8 -0.6(13) . .
C43 C41 C42 N8 177.8(8) . .
C42 C41 C43 C44 3.0(14) . .
C40 C41 C43 C44 -178.8(10) . .
C41 C43 C44 C45 -5.4(13) . .
C42 N9 C45 C44 -0.6(12) . .
C43 C44 C45 N9 4.5(13) . .
C55 N11 C51 C52 8.3(19) . .
Ag1 N11 C51 C52 -148.2(12) . .
N11 C51 C52 C53 -7(2) . .
C51 C52 C53 C54 4(2) . .
C52 C53 C54 C56 178.3(12) . .
C52 C53 C54 C55 -3.1(18) . .
C58 N12 C55 N11 176.6(7) . .
Ag2 N12 C55 N11 -13.1(10) . .
C58 N12 C55 C54 -3.5(13) . .
Ag2 N12 C55 C54 166.8(7) . .
C51 N11 C55 N12 172.9(10) . .
Ag1 N11 C55 N12 -30.9(10) . .
C51 N11 C55 C54 -6.9(14) . .
Ag1 N11 C55 C54 149.2(8) . .
C56 C54 C55 N12 3.5(14) . .
C53 C54 C55 N12 -175.2(10) . .
C56 C54 C55 N11 -176.6(9) . .
C53 C54 C55 N11 4.7(16) . .
C55 C54 C56 C57 1.0(15) . .
C53 C54 C56 C57 179.7(11) . .
C54 C56 C57 C58 -5.1(14) . .
C55 N12 C58 C57 -1.1(11) . .
Ag2 N12 C58 C57 -171.9(6) . .
C55 N12 C58 C59 -179.5(7) . .
Ag2 N12 C58 C59 9.6(8) . .
C56 C57 C58 N12 5.3(12) . .
C56 C57 C58 C59 -176.2(8) . .
C60 N13 C59 C58 -174.3(6) . .
Ag2 N13 C59 C58 -10.1(7) . .
N12 C58 C59 N13 1.1(10) . .
C57 C58 C59 N13 -177.4(7) . .
C59 N13 C60 C61 23.8(9) . .
Ag2 N13 C60 C61 -138.4(5) . .
C59 N13 C60 C65 -160.9(6) . .
Ag2 N13 C60 C65 36.9(7) . .
N13 C60 C61 C62 175.0(5) . .
C65 C60 C61 C62 -0.3(9) . .
C60 C61 C62 C63 -1.2(9) . .
C61 C62 C63 C64 3.1(9) . .
C61 C62 C63 N20 -177.8(5) . .
C66 N20 C63 C64 50.8(9) . .
C81 N20 C63 C64 -139.5(6) . .
C66 N20 C63 C62 -128.2(6) . .
C81 N20 C63 C62 41.4(8) . .
C62 C63 C64 C65 -3.6(9) . .
N20 C63 C64 C65 177.4(5) . .
C63 C64 C65 C60 2.1(9) . .
C61 C60 C65 C64 -0.2(9) . .
N13 C60 C65 C64 -175.7(5) . .
C63 N20 C66 C71 -154.4(7) . .
C81 N20 C66 C71 35.9(10) . .
C63 N20 C66 C67 24.9(9) . .
C81 N20 C66 C67 -144.8(6) . .
C71 C66 C67 C68 -8.7(10) . .
N20 C66 C67 C68 172.0(6) . .
C66 C67 C68 C69 1.2(10) . .
C67 C68 C69 C70 6.9(11) . .
C67 C68 C69 N14 -171.7(6) . .
C72 N14 C69 C70 -3.4(11) . .
Ag6 N14 C69 C70 -167.1(7) . .
C72 N14 C69 C68 175.1(7) . .
Ag6 N14 C69 C68 11.3(8) . .
C68 C69 C70 C71 -7.2(13) . .
N14 C69 C70 C71 171.2(8) . .
C69 C70 C71 C66 -0.4(15) . .
N20 C66 C71 C70 -172.3(8) . .
C67 C66 C71 C70 8.4(13) . .
C69 N14 C72 C73 -171.4(6) . .
Ag6 N14 C72 C73 -6.3(9) . .
C77 N15 C73 C74 -4.8(10) . .
Ag6 N15 C73 C74 -158.7(6) . .
C77 N15 C73 C72 176.5(6) . .
Ag6 N15 C73 C72 22.6(7) . .
N14 C72 C73 N15 -11.0(11) . .
N14 C72 C73 C74 170.2(7) . .
N15 C73 C74 C75 5.0(11) . .
C72 C73 C74 C75 -176.2(7) . .
C73 C74 C75 C76 -2.3(11) . .
C74 C75 C76 C77 -0.3(10) . .
C74 C75 C76 C78 177.5(7) . .
C80 N16 C77 N15 176.0(5) . .
C80 N16 C77 C76 -2.0(8) . .
C73 N15 C77 N16 -176.0(5) . .
Ag6 N15 C77 N16 -24.4(7) . .
C73 N15 C77 C76 2.0(8) . .
Ag6 N15 C77 C76 153.6(4) . .
C75 C76 C77 N16 178.3(6) . .
C78 C76 C77 N16 0.4(9) . .
C75 C76 C77 N15 0.5(9) . .
C78 C76 C77 N15 -177.5(6) . .
C75 C76 C78 C79 -176.1(7) . .
C77 C76 C78 C79 1.8(10) . .
C76 C78 C79 C80 -2.1(11) . .
C77 N16 C80 C79 1.6(10) . .
C78 C79 C80 N16 0.4(11) . .
C66 N20 C81 C86 -135.4(6) . .
C63 N20 C81 C86 54.3(8) . .
C66 N20 C81 C82 46.3(8) . .
C63 N20 C81 C82 -124.0(6) . .
C86 C81 C82 C83 1.1(10) . .
N20 C81 C82 C83 179.3(6) . .
C81 C82 C83 C84 -1.9(10) . .
C82 C83 C84 C85 0.7(9) . .
C82 C83 C84 N17 -179.0(6) . .
C87 N17 C84 C83 -170.3(5) . .
Ag3 N17 C84 C83 27.3(7) . .
C87 N17 C84 C85 10.1(8) . .
Ag3 N17 C84 C85 -152.3(4) . .
C83 C84 C85 C86 1.4(8) . .
N17 C84 C85 C86 -179.0(5) . .
C82 C81 C86 C85 1.0(9) . .
N20 C81 C86 C85 -177.2(5) . .
C84 C85 C86 C81 -2.2(9) . .
C84 N17 C87 C88 -175.0(5) . .
Ag3 N17 C87 C88 -10.7(6) . .
C92 N18 C88 C89 1.3(8) . .
Ag3 N18 C88 C89 -170.1(4) . .
C92 N18 C88 C87 -176.5(5) . .
Ag3 N18 C88 C87 12.1(6) . .
N17 C87 C88 N18 -0.4(8) . .
N17 C87 C88 C89 -178.3(5) . .
N18 C88 C89 C90 -0.6(9) . .
C87 C88 C89 C90 177.3(6) . .
C88 C89 C90 C91 1.9(10) . .
C89 C90 C91 C93 178.4(7) . .
C89 C90 C91 C92 -3.8(9) . .
C88 N18 C92 N19 177.6(5) . .
Ag3 N18 C92 N19 -12.0(7) . .
C88 N18 C92 C91 -3.4(8) . .
Ag3 N18 C92 C91 167.0(4) . .
C95 N19 C92 N18 178.2(5) . .
Ag4 N19 C92 N18 -13.7(7) . .
C95 N19 C92 C91 -0.8(8) . .
Ag4 N19 C92 C91 167.4(4) . .
C90 C91 C92 N18 4.6(9) . .
C93 C91 C92 N18 -177.4(6) . .
C90 C91 C92 N19 -176.5(6) . .
C93 C91 C92 N19 1.5(9) . .
C90 C91 C93 C94 178.1(7) . .
C92 C91 C93 C94 0.3(10) . .
C91 C93 C94 C95 -2.5(11) . .
C92 N19 C95 C94 -1.6(9) . .
Ag4 N19 C95 C94 -171.5(5) . .
C93 C94 C95 N19 3.3(11) . .
C105 N21 C101 C102 2.3(9) . .
Ag6 N21 C101 C102 -173.6(5) . .
N21 C101 C102 C103 -0.2(10) . .
C101 C102 C103 C104 -0.2(10) . .
C102 C103 C104 C105 -1.5(9) . .
C102 C103 C104 C106 179.2(6) . .
C108 N22 C105 N21 177.5(5) . .
Ag5 N22 C105 N21 -17.7(7) . .
C108 N22 C105 C104 -2.9(8) . .
Ag5 N22 C105 C104 161.8(4) . .
C101 N21 C105 N22 175.6(5) . .
Ag6 N21 C105 N22 -9.0(7) . .
C101 N21 C105 C104 -4.0(8) . .
Ag6 N21 C105 C104 171.4(4) . .
C103 C104 C105 N22 -175.9(5) . .
C106 C104 C105 N22 3.5(8) . .
C103 C104 C105 N21 3.7(8) . .
C106 C104 C105 N21 -177.0(5) . .
C103 C104 C106 C107 178.7(6) . .
C105 C104 C106 C107 -0.6(9) . .
C104 C106 C107 C108 -2.6(9) . .
C105 N22 C108 C107 -0.5(8) . .
Ag5 N22 C108 C107 -166.9(4) . .
C105 N22 C108 C109 179.6(5) . .
Ag5 N22 C108 C109 13.2(6) . .
C106 C107 C108 N22 3.3(9) . .
C106 C107 C108 C109 -176.8(5) . .
C110 N23 C109 C108 -173.7(5) . .
Ag5 N23 C109 C108 -15.3(6) . .
N22 C108 C109 N23 2.2(7) . .
C107 C108 C109 N23 -177.7(5) . .
C109 N23 C110 C115 5.3(9) . .
Ag5 N23 C110 C115 -151.1(5) . .
C109 N23 C110 C111 -175.2(5) . .
Ag5 N23 C110 C111 28.4(7) . .
C115 C110 C111 C112 3.1(9) . .
N23 C110 C111 C112 -176.4(5) . .
C110 C111 C112 C113 -2.6(9) . .
C111 C112 C113 C114 1.0(9) . .
C111 C112 C113 N30 177.9(5) . .
C131 N30 C113 C114 51.1(7) . .
C116 N30 C113 C114 -134.7(6) . .
C131 N30 C113 C112 -125.7(6) . .
C116 N30 C113 C112 48.5(8) . .
C112 C113 C114 C115 -0.2(9) . .
N30 C113 C114 C115 -177.1(6) . .
C113 C114 C115 C110 0.8(10) . .
C111 C110 C115 C114 -2.2(9) . .
N23 C110 C115 C114 177.2(6) . .
C131 N30 C116 C121 16.6(8) . .
C113 N30 C116 C121 -157.3(6) . .
C131 N30 C116 C117 -162.0(6) . .
C113 N30 C116 C117 24.1(8) . .
C121 C116 C117 C118 4.1(10) . .
N30 C116 C117 C118 -177.2(6) . .
C116 C117 C118 C119 0.2(10) . .
C117 C118 C119 C120 -5.9(8) . .
C117 C118 C119 N24 173.8(7) . .
C117 C118 C119 N34 -157.9(11) . .
C122 N24 C119 C118 18.3(15) . .
Ag1 N24 C119 C118 -152.4(6) 2_655 .
C122 N24 C119 C120 -162.0(14) . .
Ag1 N24 C119 C120 27.3(6) 2_655 .
C118 C119 C120 C121 7.4(7) . .
N24 C119 C120 C121 -172.3(7) . .
N34 C119 C120 C121 165.1(9) . .
C119 C120 C121 C116 -3.2(10) . .
N30 C116 C121 C120 178.7(6) . .
C117 C116 C121 C120 -2.6(10) . .
C119 N24 C122 C123 -176.1(11) . .
Ag1 N24 C122 C123 -5(2) 2_655 .
C127 N25 C123 C124 2.6(6) . .
Ag1 N25 C123 C124 -178.5(8) 2_655 .
C127 N25 C123 C122 -174.2(12) . .
Ag1 N25 C123 C122 4.7(12) 2_655 .
N24 C122 C123 N25 1(2) . .
N24 C122 C123 C124 -176.0(13) . .
N25 C123 C124 C125 -0.3(3) . .
C122 C123 C124 C125 176.2(12) . .
C123 C124 C125 C126 -0.2(3) . .
C124 C125 C126 C127 -1.5(5) . .
C124 C125 C126 C128 178.6(5) . .
C123 N25 C127 N26 175.4(8) . .
Ag1 N25 C127 N26 -3.5(7) 2_655 .
C123 N25 C127 C126 -4.5(8) . .
Ag1 N25 C127 C126 176.6(6) 2_655 .
C130 N26 C127 N25 176.7(8) . .
C130 N26 C127 C126 -3.4(8) . .
C125 C126 C127 N25 3.9(7) . .
C128 C126 C127 N25 -176.2(7) . .
C125 C126 C127 N26 -176.0(7) . .
C128 C126 C127 N26 3.9(7) . .
C125 C126 C128 C129 177.8(5) . .
C127 C126 C128 C129 -2.1(5) . .
C126 C128 C129 C130 0.1(3) . .
C127 N26 C130 C129 1.5(6) . .
C128 C129 C130 N26 0.1(3) . .
C116 N30 C131 C132 -133.3(6) . .
C113 N30 C131 C132 40.6(7) . .
C116 N30 C131 C136 45.8(8) . .
C113 N30 C131 C136 -140.2(5) . .
N30 C131 C132 C133 -178.1(5) . .
C136 C131 C132 C133 2.7(9) . .
C131 C132 C133 C134 0.0(9) . .
C132 C133 C134 C135 -3.3(9) . .
C132 C133 C134 N27 172.5(5) . .
C137 N27 C134 C133 23.8(8) . .
Ag5 N27 C134 C133 -137.9(5) 2_655 .
C137 N27 C134 C135 -160.4(5) . .
Ag5 N27 C134 C135 38.0(6) 2_655 .
C133 C134 C135 C136 3.6(8) . .
N27 C134 C135 C136 -172.4(5) . .
C134 C135 C136 C131 -0.7(8) . .
C132 C131 C136 C135 -2.4(8) . .
N30 C131 C136 C135 178.5(5) . .
C134 N27 C137 C138 -168.7(5) . .
Ag5 N27 C137 C138 -4.6(7) 2_655 .
C142 N28 C138 C139 -0.8(9) . .
Ag5 N28 C138 C139 -167.7(5) 2_655 .
C142 N28 C138 C137 175.9(5) . .
Ag5 N28 C138 C137 9.0(7) 2_655 .
N27 C137 C138 N28 -2.4(9) . .
N27 C137 C138 C139 174.4(6) . .
N28 C138 C139 C140 4.4(11) . .
C137 C138 C139 C140 -172.3(7) . .
C138 C139 C140 C141 -3.6(13) . .
C139 C140 C141 C143 179.5(9) . .
C139 C140 C141 C142 -0.3(12) . .
C138 N28 C142 N29 177.2(5) . .
Ag5 N28 C142 N29 -16.4(7) 2_655 .
C138 N28 C142 C141 -3.5(9) . .
Ag5 N28 C142 C141 162.9(5) 2_655 .
C145 N29 C142 N28 173.9(6) . .
Ag6 N29 C142 N28 -30.7(7) 2_655 .
C145 N29 C142 C141 -5.4(9) . .
Ag6 N29 C142 C141 150.0(5) 2_655 .
C143 C141 C142 N28 -175.8(7) . .
C140 C141 C142 N28 4.0(10) . .
C143 C141 C142 N29 3.5(11) . .
C140 C141 C142 N29 -176.7(7) . .
C142 C141 C143 C144 0.2(12) . .
C140 C141 C143 C144 -179.6(9) . .
C141 C143 C144 C145 -1.8(13) . .
C142 N29 C145 C144 3.8(10) . .
Ag6 N29 C145 C144 -151.6(6) 2_655 .
C143 C144 C145 N29 -0.1(12) . .
C118 C119 N34 C222 2(2) . .
C120 C119 N34 C222 -152.3(19) . .
C118 C119 N34 Ag1 -143.5(7) . 2_655
C120 C119 N34 Ag1 62.1(8) . 2_655
C119 N34 C222 C223 -156.8(18) . .
Ag1 N34 C222 C223 -14(3) 2_655 .
N34 C222 C223 C224 -163.7(19) . .
N34 C222 C223 N35 3(3) . .
C227 N35 C223 C222 -165.9(17) . .
Ag1 N35 C223 C222 10.1(15) 2_655 .
C227 N35 C223 C224 0.0(4) . .
Ag1 N35 C223 C224 176.0(9) 2_655 .
C222 C223 C224 C225 165.2(18) . .
N35 C223 C224 C225 0.0(3) . .
C223 C224 C225 C226 0.0(2) . .
C224 C225 C226 C227 0.0(2) . .
C224 C225 C226 C228 179.9(3) . .
C230 N36 C227 N35 179.8(4) . .
C230 N36 C227 C226 -0.1(4) . .
C223 N35 C227 N36 -180.0(4) . .
Ag1 N35 C227 N36 4.3(10) 2_655 .
C223 N35 C227 C226 0.0(4) . .
Ag1 N35 C227 C226 -175.7(9) 2_655 .
C228 C226 C227 N36 0.0(3) . .
C225 C226 C227 N36 180.0(3) . .
C228 C226 C227 N35 -179.9(3) . .
C225 C226 C227 N35 0.0(2) . .
C227 C226 C228 C229 0.1(2) . .
C225 C226 C228 C229 -179.9(3) . .
C226 C228 C229 C230 -0.1(2) . .
C228 C229 C230 N36 -0.1(3) . .
C227 N36 C230 C229 0.2(4) . .
O3A S2A N1A S1A 20.0(19) . .
O4A S2A N1A S1A 159.3(12) . .
C2A S2A N1A S1A -95.3(14) . .
O1A S1A N1A S2A 62.6(16) . .
O2A S1A N1A S2A -77.9(14) . .
C1A S1A N1A S2A 171.1(13) . .
O1A S1A C1A F2A -176.4(12) . .
O2A S1A C1A F2A -49.1(15) . .
N1A S1A C1A F2A 64.6(14) . .
O1A S1A C1A F1A -59.4(13) . .
O2A S1A C1A F1A 67.9(13) . .
N1A S1A C1A F1A -178.4(12) . .
O1A S1A C1A F3A 52.2(15) . .
O2A S1A C1A F3A 179.5(13) . .
N1A S1A C1A F3A -66.8(14) . .
O2G S1G N1G S2G -128.6(19) . .
O1G S1G N1G S2G -1(3) . .
C1G S1G N1G S2G 111(2) . .
O4G S2G N1G S1G 174(2) . .
O3G S2G N1G S1G 48(2) . .
C2G S2G N1G S1G -74(2) . .
O2G S1G C1G F1G -174.8(19) . .
O1G S1G C1G F1G 59(2) . .
N1G S1G C1G F1G -57(2) . .
O2G S1G C1G F2G 63(2) . .
O1G S1G C1G F2G -63(2) . .
N1G S1G C1G F2G -178.9(19) . .
O2G S1G C1G F3G -62(2) . .
O1G S1G C1G F3G 172.2(19) . .
N1G S1G C1G F3G 56(2) . .
O4G S2G C2G F5G -48(3) . .
O3G S2G C2G F5G 81(3) . .
N1G S2G C2G F5G -156(2) . .
O4G S2G C2G F4G -173.4(17) . .
O3G S2G C2G F4G -44(2) . .
N1G S2G C2G F4G 78.3(19) . .
O4G S2G C2G F6G 70(3) . .
O3G S2G C2G F6G -161(2) . .
N1G S2G C2G F6G -38(3) . .
O1B S1B N1B S2B 142.7(19) . .
O2B S1B N1B S2B 9(3) . .
C1B S1B N1B S2B -112(2) . .
O3B S2B N1B S1B -123(2) . .
O4B S2B N1B S1B 2(3) . .
C2B S2B N1B S1B 109(2) . .
O1B S1B C1B F3B -63(2) . .
O2B S1B C1B F3B 73(2) . .
N1B S1B C1B F3B -169.7(19) . .
O1B S1B C1B F2B 174.7(18) . .
O2B S1B C1B F2B -49(2) . .
N1B S1B C1B F2B 68(2) . .
O1B S1B C1B F1B 69.8(19) . .
O2B S1B C1B F1B -153.8(19) . .
N1B S1B C1B F1B -37(2) . .
O3B S2B C2B F5B 156(2) . .
O4B S2B C2B F5B 45(2) . .
N1B S2B C2B F5B -75(2) . .
O3B S2B C2B F4B 7(3) . .
O4B S2B C2B F4B -104(2) . .
N1B S2B C2B F4B 136(2) . .
O3B S2B C2B F6B -100(2) . .
O4B S2B C2B F6B 149(2) . .
N1B S2B C2B F6B 29(2) . .
O1M S1M N1M S2M 146(2) . .
O2M S1M N1M S2M 20(3) . .
C1M S1M N1M S2M -98(2) . .
O4M S2M N1M S1M -46(3) . .
O3M S2M N1M S1M -166(2) . .
C2M S2M N1M S1M 100(2) . .
O1M S1M C1M F3M 68(2) . .
O2M S1M C1M F3M -164(2) . .
N1M S1M C1M F3M -45(3) . .
O1M S1M C1M F1M -52(2) . .
O2M S1M C1M F1M 76(3) . .
N1M S1M C1M F1M -165(2) . .
O1M S1M C1M F2M -172(2) . .
O2M S1M C1M F2M -44(3) . .
N1M S1M C1M F2M 75(2) . .
O4M S2M C2M F4M -19(3) . .
O3M S2M C2M F4M 95(3) . .
N1M S2M C2M F4M -169(2) . .
O4M S2M C2M F5M 106(3) . .
O3M S2M C2M F5M -140(2) . .
N1M S2M C2M F5M -44(3) . .
O4M S2M C2M F6M -147(2) . .
O3M S2M C2M F6M -33(2) . .
N1M S2M C2M F6M 63(2) . .
O4N S2N N1N S1N 0(4) . .
O3N S2N N1N S1N -117(4) . .
C2N S2N N1N S1N 131(3) . .
O2N S1N N1N S2N -103(4) . .
O1N S1N N1N S2N 24(4) . .
C1N S1N N1N S2N 123(4) . .
O4N S2N C2N F6N 72(4) . .
O3N S2N C2N F6N -169(3) . .
N1N S2N C2N F6N -50(3) . .
O4N S2N C2N F5N -54(4) . .
O3N S2N C2N F5N 64(3) . .
N1N S2N C2N F5N -176(3) . .
O4N S2N C2N F4N -171(3) . .
O3N S2N C2N F4N -52(3) . .
N1N S2N C2N F4N 67(3) . .
O2N S1N C1N F2N -29(5) . .
O1N S1N C1N F2N -154(4) . .
N1N S1N C1N F2N 97(4) . .
O2N S1N C1N F1N 97(4) . .
O1N S1N C1N F1N -29(4) . .
N1N S1N C1N F1N -138(3) . .
O2N S1N C1N F3N -153(4) . .
O1N S1N C1N F3N 81(4) . .
N1N S1N C1N F3N -28(4) . .
O4C S2C N1C S1C -134.6(16) . .
O3C S2C N1C S1C 3(2) . .
C2C S2C N1C S1C 120.2(15) . .
O2C S1C N1C S2C 28.1(19) . .
O1C S1C N1C S2C 147.7(15) . .
C1C S1C N1C S2C -89.5(17) . .
O2C S1C C1C F3C -32(2) . .
O1C S1C C1C F3C -152.3(17) . .
N1C S1C C1C F3C 86.1(19) . .
O2C S1C C1C F1C 96.0(17) . .
O1C S1C C1C F1C -24.2(19) . .
N1C S1C C1C F1C -145.7(14) . .
O2C S1C C1C F2C -144.2(16) . .
O1C S1C C1C F2C 95.6(17) . .
N1C S1C C1C F2C -25.9(19) . .
O4C S2C C2C F5C 175.9(17) . .
O3C S2C C2C F5C 56(2) . .
N1C S2C C2C F5C -66.9(19) . .
O4C S2C C2C F4C -59.0(18) . .
O3C S2C C2C F4C -178.4(17) . .
N1C S2C C2C F4C 58.2(18) . .
O4C S2C C2C F6C 58.0(18) . .
O3C S2C C2C F6C -61.4(19) . .
N1C S2C C2C F6C 175.2(16) . .
O2I S1I N1I S2I -35(2) . .
O1I S1I N1I S2I -170.0(13) . .
C1I S1I N1I S2I 91.9(15) . .
O3I S2I N1I S1I -15(2) . .
O4I S2I N1I S1I 126.7(15) . .
C2I S2I N1I S1I -119.4(15) . .
O2I S1I C1I F2I 165.9(16) . .
N1I S1I C1I F2I 23.4(19) . .
O1I S1I C1I F2I -82.0(17) . .
O2I S1I C1I F1I -81.0(19) . .
N1I S1I C1I F1I 136.5(17) . .
O1I S1I C1I F1I 31.1(18) . .
O2I S1I C1I F3I 40.1(18) . .
N1I S1I C1I F3I -102.5(16) . .
O1I S1I C1I F3I 152.2(14) . .
O3I S2I C2I F5I 63(2) . .
O4I S2I C2I F5I -78(2) . .
N1I S2I C2I F5I 179(2) . .
O3I S2I C2I F4I -169.9(17) . .
O4I S2I C2I F4I 49(2) . .
N1I S2I C2I F4I -53.4(17) . .
O3I S2I C2I F6I -58(2) . .
O4I S2I C2I F6I 160.5(18) . .
N1I S2I C2I F6I 58(2) . .
O2D S1D N1D S2D -42(4) . .
O1D S1D N1D S2D -168(2) . .
C1D S1D N1D S2D 89(2) . .
O3D S2D N1D S1D 6(3) . .
O4D S2D N1D S1D 132(2) . .
C2D S2D N1D S1D -113(2) . .
O2D S1D C1D F2D 43(3) . .
N1D S1D C1D F2D -101(2) . .
O1D S1D C1D F2D 148(2) . .
O2D S1D C1D F3D -83(2) . .
N1D S1D C1D F3D 133(2) . .
O1D S1D C1D F3D 22(2) . .
O2D S1D C1D F1D 159(2) . .
N1D S1D C1D F1D 14(2) . .
O1D S1D C1D F1D -96(2) . .
O3D S2D C2D F6D 60(4) . .
O4D S2D C2D F6D -70(3) . .
N1D S2D C2D F6D 175(3) . .
O3D S2D C2D F4D -57(3) . .
O4D S2D C2D F4D 173(2) . .
N1D S2D C2D F4D 58(3) . .
O3D S2D C2D F5D -174(2) . .
O4D S2D C2D F5D 56(3) . .
N1D S2D C2D F5D -58(3) . .
O1H S1H N1H S2H 34(3) . .
O2H S1H N1H S2H 167(2) . .
C1H S1H N1H S2H -93(2) . .
O4H S2H N1H S1H 45(3) . .
O3H S2H N1H S1H -92(2) . .
C2H S2H N1H S1H 160(2) . .
O1H S1H C1H F2H -44(2) . .
O2H S1H C1H F2H -172(2) . .
N1H S1H C1H F2H 89(2) . .
O1H S1H C1H F1H 77(3) . .
O2H S1H C1H F1H -51(3) . .
N1H S1H C1H F1H -149(2) . .
O1H S1H C1H F3H -159.5(19) . .
O2H S1H C1H F3H 73(2) . .
N1H S1H C1H F3H -26(2) . .
O4H S2H C2H F4H -75(3) . .
O3H S2H C2H F4H 47(3) . .
N1H S2H C2H F4H 162(3) . .
O4H S2H C2H F6H 157(3) . .
O3H S2H C2H F6H -81(3) . .
N1H S2H C2H F6H 34(3) . .
O4H S2H C2H F5H 55(3) . .
O3H S2H C2H F5H 177(2) . .
N1H S2H C2H F5H -68(3) . .
O1J S1J C1J F2J -39(3) . .
O2J S1J C1J F2J -173(2) . .
N1J S1J C1J F2J 69(2) . .
O1J S1J C1J F3J 63(3) . .
O2J S1J C1J F3J -70(2) . .
N1J S1J C1J F3J 171.8(19) . .
O1J S1J C1J F1J -175(2) . .
O2J S1J C1J F1J 52(3) . .
N1J S1J C1J F1J -66(2) . .
O3J S2J N1J S1J -174(3) . .
O4J S2J N1J S1J -36(4) . .
C2J S2J N1J S1J 75(3) . .
O1J S1J N1J S2J -160(3) . .
O2J S1J N1J S2J -23(4) . .
C1J S1J N1J S2J 91(3) . .
O3J S2J C2J F6J 49(3) . .
O4J S2J C2J F6J -80(3) . .
N1J S2J C2J F6J 159(3) . .
O3J S2J C2J F4J 170(3) . .
O4J S2J C2J F4J 41(4) . .
N1J S2J C2J F4J -80(3) . .
O3J S2J C2J F5J -79(3) . .
O4J S2J C2J F5J 152(3) . .
N1J S2J C2J F5J 31(3) . .
C35S O1S C32S C33S -149.7(19) . .
C35S O1S C32S C34S 87.5(19) . .
C32S O1S C35S C37S -160.6(15) . .
C32S O1S C35S C36S 70(2) . .
O2K S1K C1K F2K -64.7(19) . .
O1K S1K C1K F2K 56(2) . .
N1K S1K C1K F2K 168.3(18) . .
O2K S1K C1K F3K -176.5(17) . .
O1K S1K C1K F3K -56(2) . .
N1K S1K C1K F3K 56.5(19) . .
O2K S1K C1K F1K 65.7(17) . .
O1K S1K C1K F1K -173.9(19) . .
N1K S1K C1K F1K -61.3(17) . .
O4K S2K C2K F5K -61(2) . .
O3K S2K C2K F5K 65(2) . .
N1K S2K C2K F5K 178(2) . .
O4K S2K C2K F4K -174(2) . .
O3K S2K C2K F4K -48(2) . .
N1K S2K C2K F4K 65(2) . .
O4K S2K C2K F6K 55(2) . .
O3K S2K C2K F6K -180(2) . .
N1K S2K C2K F6K -67(2) . .
O4K S2K N1K S1K -13(2) . .
O3K S2K N1K S1K -151.2(17) . .
C2K S2K N1K S1K 99.0(18) . .
O2K S1K N1K S2K -13(2) . .
O1K S1K N1K S2K -146(2) . .
C1K S1K N1K S2K 98.9(17) . .
O2L S1L C1L F1L 33(3) . .
O1L S1L C1L F1L -90(2) . .
N1L S1L C1L F1L 166(2) . .
O2L S1L C1L F2L -83(2) . .
O1L S1L C1L F2L 153.5(18) . .
N1L S1L C1L F2L 50(2) . .
O2L S1L C1L F3L 149(2) . .
O1L S1L C1L F3L 25(2) . .
N1L S1L C1L F3L -78(2) . .
O4L S2L N1L S1L 159.7(17) . .
O3L S2L N1L S1L 30(2) . .
C2L S2L N1L S1L -72(2) . .
O2L S1L N1L S2L 18(2) . .
O1L S1L N1L S2L 137.9(16) . .
C1L S1L N1L S2L -108.6(17) . .
O4L S2L C2L F6L -168(3) . .
O3L S2L C2L F6L -51(3) . .
N1L S2L C2L F6L 62(3) . .
O4L S2L C2L F4L 57(3) . .
O3L S2L C2L F4L 174(3) . .
N1L S2L C2L F4L -73(3) . .
O4L S2L C2L F5L -68(2) . .
O3L S2L C2L F5L 49(2) . .
N1L S2L C2L F5L 162(2) . .
