# Electronic Supplementary Material (ESI) for Nanoscale.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_1
_database_code_depnum_ccdc_archive 'CCDC 2301180'
loop_
_audit_author_name
_audit_author_address
'haoqi li'
;Anhui University
China
;
_audit_update_record             
;
2023-10-13 deposited with the CCDC.	2023-12-08 downloaded from the CCDC.
;
_audit_creation_date             2022-06-27
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C300 H449 Ag54 Br4 S30'
_chemical_formula_sum            'C300 H449 Ag54 Br4 S30'
_chemical_formula_weight         11161.98
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.6763 1.2805 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   21.8845(2)
_cell_length_b                   22.1526(3)
_cell_length_c                   49.1884(4)
_cell_angle_alpha                91.5080(10)
_cell_angle_beta                 101.2820(10)
_cell_angle_gamma                118.3720(10)
_cell_volume                     20379.0(4)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    130794
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      70.11
_cell_measurement_theta_min      4.00
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    22.438
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.819
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             10814
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0483
_diffrn_reflns_av_unetI/netI     0.0489
_diffrn_reflns_Laue_measured_fraction_full 0.977
_diffrn_reflns_Laue_measured_fraction_max 0.977
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       56
_diffrn_reflns_limit_l_min       -52
_diffrn_reflns_number            168471
_diffrn_reflns_point_group_measured_fraction_full 0.977
_diffrn_reflns_point_group_measured_fraction_max 0.977
_diffrn_reflns_theta_full        62.499
_diffrn_reflns_theta_max         62.499
_diffrn_reflns_theta_min         3.994
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.977
_diffrn_measured_fraction_theta_max 0.977
_diffrn_measurement_device_type  STOE
_diffrn_measurement_method       ?
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54186
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                52128
_reflns_number_total             63506
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         4.092
_refine_diff_density_min         -4.439
_refine_diff_density_rms         0.289
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           fullcycle
_refine_ls_number_parameters     3520
_refine_ls_number_reflns         63506
_refine_ls_number_restraints     10078
_refine_ls_R_factor_all          0.1006
_refine_ls_R_factor_gt           0.0888
_refine_ls_restrained_S_all      0.959
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1508P)²+468.3714P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2453
_refine_ls_wR_factor_ref         0.2576
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2. Restrained distances
 C40-C04I = C0B2-C04I = C20-C0A0 = C20-C04I = C0B2-C09U = C09U-C09P = C112-
 C09P = C40-C112 = C14-C0A0 = C65-C0A0 = C65-C09U = C14-C112
 1.54 with sigma of 0.01
 C04I-C09U
 2.54 with sigma of 0.01
 C04I-C112
 2.54 with sigma of 0.01
 C04I-C0A0
 2.54 with sigma of 0.01
 C0B2-C65
 2.54 with sigma of 0.01
 C0B2-C09P
 2.54 with sigma of 0.01
 C0B2-C40
 2.54 with sigma of 0.01
 C09U-C0A0
 2.54 with sigma of 0.01
 C09U-C112
 2.54 with sigma of 0.01
 C65-C20
 2.54 with sigma of 0.01
 C65-C09P
 2.54 with sigma of 0.01
 C65-C14
 2.54 with sigma of 0.01
 C0A0-C112
 2.54 with sigma of 0.01
 C14-C09P
 2.54 with sigma of 0.01
 C14-C40
 2.54 with sigma of 0.01
 C14-C20
 2.54 with sigma of 0.01
 C40-C09P
 2.54 with sigma of 0.01
 C40-C20
 2.54 with sigma of 0.01
 C04I-C65
 2.93 with sigma of 0.01
 C04I-C09P
 2.93 with sigma of 0.01
 C04I-C14
 2.93 with sigma of 0.01
 C0B2-C0A0
 2.93 with sigma of 0.01
 C0B2-C112
 2.93 with sigma of 0.01
 C09U-C40
 2.93 with sigma of 0.01
 C09U-C14
 2.93 with sigma of 0.01
 C09U-C20
 2.93 with sigma of 0.01
 C65-C112
 2.93 with sigma of 0.01
 C0A0-C09P
 2.93 with sigma of 0.01
 C112-C20
 2.93 with sigma of 0.01
 C0B9-C03I = C0BN-C03I = C0BN-C0AH = C0BK-C03I = C0AH-C0AC = C0AH-C08Z = C08Z-
 C08L = C0BK-C08L = C090-C08L = C0AC-C0A1 = C0A1-C090 = C0B9-C0A1
 1.54 with sigma of 0.01
 C03I-C090
 2.93 with sigma of 0.01
 C03I-C0AC
 2.93 with sigma of 0.01
 C03I-C08Z
 2.93 with sigma of 0.01
 C0B9-C08L
 2.93 with sigma of 0.01
 C0B9-C0AH
 2.93 with sigma of 0.01
 C0A1-C0BK
 2.93 with sigma of 0.01
 C090-C0AH
 2.93 with sigma of 0.01
 C08L-C0AC
 2.93 with sigma of 0.01
 C08L-C0BN
 2.93 with sigma of 0.01
 C0AH-C0BK
 2.93 with sigma of 0.01
 C03I-C0A1
 2.54 with sigma of 0.01
 C03I-C08L
 2.54 with sigma of 0.01
 C03I-C0AH
 2.54 with sigma of 0.01
 C0B9-C090
 2.54 with sigma of 0.01
 C0B9-C0AC
 2.54 with sigma of 0.01
 C0B9-C0BN
 2.54 with sigma of 0.01
 C0A1-C08L
 2.54 with sigma of 0.01
 C0A1-C0AH
 2.54 with sigma of 0.01
 C090-C08Z
 2.54 with sigma of 0.01
 C090-C0AC
 2.54 with sigma of 0.01
 C08L-C0AH
 2.54 with sigma of 0.01
 C08Z-C0BK
 2.54 with sigma of 0.01
 C08Z-C0BN
 2.54 with sigma of 0.01
 C0BN-C0BK
 2.54 with sigma of 0.01
 C124-C0AG = C124-C0AK = C0AG-C06F = C09Q-C06F = C09B-C06F = C0AN-C09B = C50-
 C0AN = C50-C124 = C09Q-C09F = C0B8-C09F = C0AK-C09F = C0B8-C0AN
 1.54 with sigma of 0.01
 C92-C181 = C0B1-C047 = C181-C0B1 = C181-C0B4 = C0B4-C09R = C0B5-C09R = C09R-
 C096 = C0A7-C096 = C92-C0A7 = C0A7-C09K = C0B5-C047 = C09K-C047
 1.54 with sigma of 0.01
 C0AJ-C09G = C0BA-C0AO = C0AO-C0AM = C0AM-C07U = C07U-C069 = C0A6-C07U = C0A6-
 C09G = C09V-C09G = C09V-C08T = C08T-C069 = C0BA-C08T = C0AO-C0AJ
 1.54 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
C02M \\sim C02N \\sim C02O \\sim C02P \\sim C02Q \\sim C02R \\sim C02S \\sim
C02T \\sim C02V \\sim C02W \\sim C02X \\sim C02Y \\sim C02Z \\sim C030 \\sim
C031 \\sim C033 \\sim C034 \\sim C035 \\sim C036 \\sim C037 \\sim C038 \\sim
C039 \\sim C03A \\sim C03B \\sim C03C \\sim C03D \\sim C03E \\sim C03F \\sim
C03G \\sim C03H \\sim C03I \\sim C03J \\sim C03K \\sim C03L \\sim C03M \\sim
C03N \\sim C03P \\sim C03Q \\sim C03R \\sim C03S \\sim C03T \\sim C03U \\sim
C03V \\sim C03W \\sim C03X \\sim C03Y \\sim C03Z \\sim C040 \\sim C041 \\sim
C042 \\sim C043 \\sim C044 \\sim C045 \\sim C046 \\sim C047 \\sim C048 \\sim
C049 \\sim C04A \\sim C04B \\sim C04C \\sim C04D \\sim C04E \\sim C04F \\sim
C04G \\sim C04H \\sim C04I \\sim C04J \\sim C04K \\sim C04L \\sim C04M \\sim
C04N \\sim C04O \\sim C04P \\sim C04Q \\sim C04R \\sim C04S \\sim C04T \\sim
C04U \\sim C04V \\sim C04W \\sim C04X \\sim C04Y \\sim C04Z \\sim C052 \\sim
C053 \\sim C054 \\sim C055 \\sim C056 \\sim C057 \\sim C058 \\sim C059 \\sim
C05A \\sim C05B \\sim C05C \\sim C05D \\sim C05E \\sim C05F \\sim C05G \\sim
C05H \\sim C05I \\sim C05J \\sim C05K \\sim C05L \\sim C05M \\sim C05N \\sim
C05O \\sim C05P \\sim C05Q \\sim C05R \\sim C05S \\sim C05T \\sim C05U \\sim
C05V \\sim C05X \\sim C05Y \\sim C05Z \\sim C060 \\sim C061 \\sim C062 \\sim
C063 \\sim C064 \\sim C065 \\sim C066 \\sim C067 \\sim C068 \\sim C069 \\sim
C06A \\sim C06B \\sim C06D \\sim C06E \\sim C06F \\sim C06G \\sim C06H \\sim
C06I \\sim C06J \\sim C06K \\sim C06L \\sim C06M \\sim C06N \\sim C06O \\sim
C06P \\sim C06Q \\sim C06R \\sim C06S \\sim C06T \\sim C06U \\sim C06V \\sim
C06W \\sim C06X \\sim C06Y \\sim C06Z \\sim C070 \\sim C071 \\sim C072 \\sim
C073 \\sim C074 \\sim C075 \\sim C076 \\sim C077 \\sim C078 \\sim C079 \\sim
C07A \\sim C07B \\sim C07C \\sim C07D \\sim C07E \\sim C07F \\sim C07G \\sim
C07H \\sim C07I \\sim C07J \\sim C07K \\sim C07L \\sim C07M \\sim C07N \\sim
C07O \\sim C07P \\sim C07Q \\sim C07R \\sim C07S \\sim C07U \\sim C07V \\sim
C07W \\sim C07X \\sim C07Y \\sim C07Z \\sim C080 \\sim C081 \\sim C082 \\sim
C083 \\sim C084 \\sim C085 \\sim C086 \\sim C087 \\sim C088 \\sim C089 \\sim
C08A \\sim C08B \\sim C08C \\sim C08D \\sim C08E \\sim C08F \\sim C08G \\sim
C08H \\sim C08I \\sim C08J \\sim C08K \\sim C08L \\sim C08M \\sim C08N \\sim
C08O \\sim C08P \\sim C08Q \\sim C08R \\sim C08S \\sim C08T \\sim C08U \\sim
C08V \\sim C08W \\sim C08X \\sim C08Y \\sim C08Z \\sim C090 \\sim C091 \\sim
C092 \\sim C093 \\sim C094 \\sim C096 \\sim C097 \\sim C098 \\sim C099 \\sim
C09A \\sim C09B \\sim C09C \\sim C09D \\sim C09E \\sim C09F \\sim C09G \\sim
C09H \\sim C09I \\sim C09J \\sim C09K \\sim C09L \\sim C09M \\sim C09N \\sim
C09P \\sim C09Q \\sim C09R \\sim C09T \\sim C09U \\sim C09V \\sim C09X \\sim
C09Y \\sim C09Z \\sim C0A0 \\sim C0A1 \\sim C0A3 \\sim C0A5 \\sim C0A6 \\sim
C0A7 \\sim C0A9 \\sim C0AA \\sim C0AC \\sim C0AD \\sim C0AE \\sim C0AF \\sim
C0AG \\sim C0AH \\sim C0AJ \\sim C0AK \\sim C0AL \\sim C0AM \\sim C0AN \\sim
C0AO \\sim C0AP \\sim C0AT \\sim C0AU \\sim C0AV \\sim C0AX \\sim C0B1 \\sim
C0B2 \\sim C0B3 \\sim C0B4 \\sim C0B5 \\sim C0B6 \\sim C0B8 \\sim C0B9 \\sim
C0BA \\sim C0BH \\sim C0BK \\sim C0BN \\sim C14 \\sim C20 \\sim C40 \\sim C50
\\sim C92 \\sim C181 \\sim C65 \\sim C112 \\sim C124: within 3.8A with sigma of
0.01 and sigma for terminal atoms of 0.02
Ag3A \\sim Ag1A: within 3.8A with sigma of 0.01 and sigma for terminal atoms of
0.02
Uanis(C02M) \\sim Ueq, Uanis(C02N) \\sim Ueq, Uanis(C02O) \\sim Ueq,
Uanis(C02P) \\sim Ueq, Uanis(C02Q) \\sim Ueq, Uanis(C02R) \\sim Ueq,
Uanis(C02S) \\sim Ueq, Uanis(C02T) \\sim Ueq, Uanis(C02V) \\sim Ueq,
Uanis(C02W) \\sim Ueq, Uanis(C02X) \\sim Ueq, Uanis(C02Y) \\sim Ueq,
Uanis(C02Z) \\sim Ueq, Uanis(C030) \\sim Ueq, Uanis(C031) \\sim Ueq,
Uanis(C033) \\sim Ueq, Uanis(C034) \\sim Ueq, Uanis(C035) \\sim Ueq,
Uanis(C036) \\sim Ueq, Uanis(C037) \\sim Ueq, Uanis(C038) \\sim Ueq,
Uanis(C039) \\sim Ueq, Uanis(C03A) \\sim Ueq, Uanis(C03B) \\sim Ueq,
Uanis(C03C) \\sim Ueq, Uanis(C03D) \\sim Ueq, Uanis(C03E) \\sim Ueq,
Uanis(C03F) \\sim Ueq, Uanis(C03G) \\sim Ueq, Uanis(C03H) \\sim Ueq,
Uanis(C03I) \\sim Ueq, Uanis(C03J) \\sim Ueq, Uanis(C03K) \\sim Ueq,
Uanis(C03L) \\sim Ueq, Uanis(C03M) \\sim Ueq, Uanis(C03N) \\sim Ueq,
Uanis(C03P) \\sim Ueq, Uanis(C03Q) \\sim Ueq, Uanis(C03R) \\sim Ueq,
Uanis(C03S) \\sim Ueq, Uanis(C03T) \\sim Ueq, Uanis(C03U) \\sim Ueq,
Uanis(C03V) \\sim Ueq, Uanis(C03W) \\sim Ueq, Uanis(C03X) \\sim Ueq,
Uanis(C03Y) \\sim Ueq, Uanis(C03Z) \\sim Ueq, Uanis(C040) \\sim Ueq,
Uanis(C041) \\sim Ueq, Uanis(C042) \\sim Ueq, Uanis(C043) \\sim Ueq,
Uanis(C044) \\sim Ueq, Uanis(C045) \\sim Ueq, Uanis(C046) \\sim Ueq,
Uanis(C047) \\sim Ueq, Uanis(C048) \\sim Ueq, Uanis(C049) \\sim Ueq,
Uanis(C04A) \\sim Ueq, Uanis(C04B) \\sim Ueq, Uanis(C04C) \\sim Ueq,
Uanis(C04D) \\sim Ueq, Uanis(C04E) \\sim Ueq, Uanis(C04F) \\sim Ueq,
Uanis(C04G) \\sim Ueq, Uanis(C04H) \\sim Ueq, Uanis(C04I) \\sim Ueq,
Uanis(C04J) \\sim Ueq, Uanis(C04K) \\sim Ueq, Uanis(C04L) \\sim Ueq,
Uanis(C04M) \\sim Ueq, Uanis(C04N) \\sim Ueq, Uanis(C04O) \\sim Ueq,
Uanis(C04P) \\sim Ueq, Uanis(C04Q) \\sim Ueq, Uanis(C04R) \\sim Ueq,
Uanis(C04S) \\sim Ueq, Uanis(C04T) \\sim Ueq, Uanis(C04U) \\sim Ueq,
Uanis(C04V) \\sim Ueq, Uanis(C04W) \\sim Ueq, Uanis(C04X) \\sim Ueq,
Uanis(C04Y) \\sim Ueq, Uanis(C04Z) \\sim Ueq, Uanis(C052) \\sim Ueq,
Uanis(C053) \\sim Ueq, Uanis(C054) \\sim Ueq, Uanis(C055) \\sim Ueq,
Uanis(C056) \\sim Ueq, Uanis(C057) \\sim Ueq, Uanis(C058) \\sim Ueq,
Uanis(C059) \\sim Ueq, Uanis(C05A) \\sim Ueq, Uanis(C05B) \\sim Ueq,
Uanis(C05C) \\sim Ueq, Uanis(C05D) \\sim Ueq, Uanis(C05E) \\sim Ueq,
Uanis(C05F) \\sim Ueq, Uanis(C05G) \\sim Ueq, Uanis(C05H) \\sim Ueq,
Uanis(C05I) \\sim Ueq, Uanis(C05J) \\sim Ueq, Uanis(C05K) \\sim Ueq,
Uanis(C05L) \\sim Ueq, Uanis(C05M) \\sim Ueq, Uanis(C05N) \\sim Ueq,
Uanis(C05O) \\sim Ueq, Uanis(C05P) \\sim Ueq, Uanis(C05Q) \\sim Ueq,
Uanis(C05R) \\sim Ueq, Uanis(C05S) \\sim Ueq, Uanis(C05T) \\sim Ueq,
Uanis(C05U) \\sim Ueq, Uanis(C05V) \\sim Ueq, Uanis(C05X) \\sim Ueq,
Uanis(C05Y) \\sim Ueq, Uanis(C05Z) \\sim Ueq, Uanis(C060) \\sim Ueq,
Uanis(C061) \\sim Ueq, Uanis(C062) \\sim Ueq, Uanis(C063) \\sim Ueq,
Uanis(C064) \\sim Ueq, Uanis(C065) \\sim Ueq, Uanis(C066) \\sim Ueq,
Uanis(C067) \\sim Ueq, Uanis(C068) \\sim Ueq, Uanis(C069) \\sim Ueq,
Uanis(C06A) \\sim Ueq, Uanis(C06B) \\sim Ueq, Uanis(C06D) \\sim Ueq,
Uanis(C06E) \\sim Ueq, Uanis(C06F) \\sim Ueq, Uanis(C06G) \\sim Ueq,
Uanis(C06H) \\sim Ueq, Uanis(C06I) \\sim Ueq, Uanis(C06J) \\sim Ueq,
Uanis(C06K) \\sim Ueq, Uanis(C06L) \\sim Ueq, Uanis(C06M) \\sim Ueq,
Uanis(C06N) \\sim Ueq, Uanis(C06O) \\sim Ueq, Uanis(C06P) \\sim Ueq,
Uanis(C06Q) \\sim Ueq, Uanis(C06R) \\sim Ueq, Uanis(C06S) \\sim Ueq,
Uanis(C06T) \\sim Ueq, Uanis(C06U) \\sim Ueq, Uanis(C06V) \\sim Ueq,
Uanis(C06W) \\sim Ueq, Uanis(C06X) \\sim Ueq, Uanis(C06Y) \\sim Ueq,
Uanis(C06Z) \\sim Ueq, Uanis(C070) \\sim Ueq, Uanis(C071) \\sim Ueq,
Uanis(C072) \\sim Ueq, Uanis(C073) \\sim Ueq, Uanis(C074) \\sim Ueq,
Uanis(C075) \\sim Ueq, Uanis(C076) \\sim Ueq, Uanis(C077) \\sim Ueq,
Uanis(C078) \\sim Ueq, Uanis(C079) \\sim Ueq, Uanis(C07A) \\sim Ueq,
Uanis(C07B) \\sim Ueq, Uanis(C07C) \\sim Ueq, Uanis(C07D) \\sim Ueq,
Uanis(C07E) \\sim Ueq, Uanis(C07F) \\sim Ueq, Uanis(C07G) \\sim Ueq,
Uanis(C07H) \\sim Ueq, Uanis(C07I) \\sim Ueq, Uanis(C07J) \\sim Ueq,
Uanis(C07K) \\sim Ueq, Uanis(C07L) \\sim Ueq, Uanis(C07M) \\sim Ueq,
Uanis(C07N) \\sim Ueq, Uanis(C07O) \\sim Ueq, Uanis(C07P) \\sim Ueq,
Uanis(C07Q) \\sim Ueq, Uanis(C07R) \\sim Ueq, Uanis(C07S) \\sim Ueq,
Uanis(C07U) \\sim Ueq, Uanis(C07V) \\sim Ueq, Uanis(C07W) \\sim Ueq,
Uanis(C07X) \\sim Ueq, Uanis(C07Y) \\sim Ueq, Uanis(C07Z) \\sim Ueq,
Uanis(C080) \\sim Ueq, Uanis(C081) \\sim Ueq, Uanis(C082) \\sim Ueq,
Uanis(C083) \\sim Ueq, Uanis(C084) \\sim Ueq, Uanis(C085) \\sim Ueq,
Uanis(C086) \\sim Ueq, Uanis(C087) \\sim Ueq, Uanis(C088) \\sim Ueq,
Uanis(C089) \\sim Ueq, Uanis(C08A) \\sim Ueq, Uanis(C08B) \\sim Ueq,
Uanis(C08C) \\sim Ueq, Uanis(C08D) \\sim Ueq, Uanis(C08E) \\sim Ueq,
Uanis(C08F) \\sim Ueq, Uanis(C08G) \\sim Ueq, Uanis(C08H) \\sim Ueq,
Uanis(C08I) \\sim Ueq, Uanis(C08J) \\sim Ueq, Uanis(C08K) \\sim Ueq,
Uanis(C08L) \\sim Ueq, Uanis(C08M) \\sim Ueq, Uanis(C08N) \\sim Ueq,
Uanis(C08O) \\sim Ueq, Uanis(C08P) \\sim Ueq, Uanis(C08Q) \\sim Ueq,
Uanis(C08R) \\sim Ueq, Uanis(C08S) \\sim Ueq, Uanis(C08T) \\sim Ueq,
Uanis(C08U) \\sim Ueq, Uanis(C08V) \\sim Ueq, Uanis(C08W) \\sim Ueq,
Uanis(C08X) \\sim Ueq, Uanis(C08Y) \\sim Ueq, Uanis(C08Z) \\sim Ueq,
Uanis(C090) \\sim Ueq, Uanis(C091) \\sim Ueq, Uanis(C092) \\sim Ueq,
Uanis(C093) \\sim Ueq, Uanis(C094) \\sim Ueq, Uanis(C096) \\sim Ueq,
Uanis(C097) \\sim Ueq, Uanis(C098) \\sim Ueq, Uanis(C099) \\sim Ueq,
Uanis(C09A) \\sim Ueq, Uanis(C09B) \\sim Ueq, Uanis(C09C) \\sim Ueq,
Uanis(C09D) \\sim Ueq, Uanis(C09E) \\sim Ueq, Uanis(C09F) \\sim Ueq,
Uanis(C09G) \\sim Ueq, Uanis(C09H) \\sim Ueq, Uanis(C09I) \\sim Ueq,
Uanis(C09J) \\sim Ueq, Uanis(C09K) \\sim Ueq, Uanis(C09L) \\sim Ueq,
Uanis(C09M) \\sim Ueq, Uanis(C09N) \\sim Ueq, Uanis(C09P) \\sim Ueq,
Uanis(C09Q) \\sim Ueq, Uanis(C09R) \\sim Ueq, Uanis(C09T) \\sim Ueq,
Uanis(C09U) \\sim Ueq, Uanis(C09V) \\sim Ueq, Uanis(C09X) \\sim Ueq,
Uanis(C09Y) \\sim Ueq, Uanis(C09Z) \\sim Ueq, Uanis(C0A0) \\sim Ueq,
Uanis(C0A1) \\sim Ueq, Uanis(C0A3) \\sim Ueq, Uanis(C0A5) \\sim Ueq,
Uanis(C0A6) \\sim Ueq, Uanis(C0A7) \\sim Ueq, Uanis(C0A9) \\sim Ueq,
Uanis(C0AA) \\sim Ueq, Uanis(C0AC) \\sim Ueq, Uanis(C0AD) \\sim Ueq,
Uanis(C0AE) \\sim Ueq, Uanis(C0AF) \\sim Ueq, Uanis(C0AG) \\sim Ueq,
Uanis(C0AH) \\sim Ueq, Uanis(C0AJ) \\sim Ueq, Uanis(C0AK) \\sim Ueq,
Uanis(C0AL) \\sim Ueq, Uanis(C0AM) \\sim Ueq, Uanis(C0AN) \\sim Ueq,
Uanis(C0AO) \\sim Ueq, Uanis(C0AP) \\sim Ueq, Uanis(C0AT) \\sim Ueq,
Uanis(C0AU) \\sim Ueq, Uanis(C0AV) \\sim Ueq, Uanis(C0AX) \\sim Ueq,
Uanis(C0B1) \\sim Ueq, Uanis(C0B2) \\sim Ueq, Uanis(C0B3) \\sim Ueq,
Uanis(C0B4) \\sim Ueq, Uanis(C0B5) \\sim Ueq, Uanis(C0B6) \\sim Ueq,
Uanis(C0B8) \\sim Ueq, Uanis(C0B9) \\sim Ueq, Uanis(C0BA) \\sim Ueq,
Uanis(C0BH) \\sim Ueq, Uanis(C0BK) \\sim Ueq, Uanis(C0BN) \\sim Ueq, Uanis(C14)
\\sim Ueq, Uanis(C20) \\sim Ueq, Uanis(C40) \\sim Ueq, Uanis(C50) \\sim Ueq,
Uanis(C92) \\sim Ueq, Uanis(C181) \\sim Ueq, Uanis(C65) \\sim Ueq, Uanis(C112)
\\sim Ueq, Uanis(C124) \\sim Ueq: with sigma of 0.01 and sigma for terminal
atoms of 0.02
Uanis(Ag1A) \\sim Ueq, Uanis(Ag3A) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
4. Others
 Fixed Sof: Ag0W(0.9) Ag1A(0.9) Ag1H(0.9) Ag1(0.1) Ag2A(0.1) Ag3A(0.1)
5.a Ternary CH refined with riding coordinates:
 C038(H038), C039(H039), C03E(H03O), C03M(H03Z), C03R(H1AA), C03W(H4AA),
 C03Z(H6AA), C042(H042), C043(H043), C045(H045), C048(H048), C049(H049),
 C04E(H04M), C04O(H04), C04R(H8AA), C04S(H9AA), C053(H053), C055(H055),
 C058(H058), C05A(H05K), C05E(H05R), C05F(H05S), C05G(H05T), C05P(H9BA),
 C05Q(H0CA), C05T(H3CA), C05Z(H8CA), C06B(H06W), C06D(H06X), C06H(H06),
 C06O(H5DA), C06Q(H7DA), C06W(H3EA), C070(H070), C072(H072), C076(H076),
 C077(H077), C079(H079), C07A(H07K), C07B(H07L), C07D(H07O), C07E(H07P),
 C07G(H07S), C07I(H07V), C07J(H07W), C07K(H07X), C07N(H07), C07O(H7EA),
 C07V(H1FA), C07X(H3FA), C081(H081), C082(H082), C083(H083), C085(H085),
 C087(H087), C08B(H08M), C08G(H08V), C08H(H08W), C08K(H08), C08L(H6FA),
 C08O(H9FA), C08R(H2GA), C08T(H4GA), C08U(H5GA), C091(H091), C099(H099),
 C09C(H09S), C09D(H09T), C09F(H09W), C09G(H09X), C09L(H2HA), C09M(H3HA),
 C09N(H4HA), C09R(H7HA), C09U(H9HA), C09Z(H3IA), C0A0(H0A0), C0A1(H0A1),
 C0A7(H0A7), C0AF(H0AR), C0AH(H0AU), C0AN(H4IA), C0AO(H5IA), C0AT(H7IA),
 C0AU(H8IA), C0AX(H0JA), C0B6(H0B6), C181(H181), C112(H112), C124(H124)
5.b Secondary CH2 refined with riding coordinates:
 C02R(H02A,H02B), C02S(H02C,H02D), C02V(H02E,H02F), C031(H03A,H03B), C033(H03C,
 H03D), C034(H03E,H03F), C037(H03G,H03H), C03A(H03I,H03J), C03B(H03K,H03L),
 C03C(H03M,H03N), C03F(H03P,H03Q), C03G(H03R,H03S), C03H(H03T,H03U), C03J(H03V,
 H03W), C03K(H03X,H03Y), C03N(H03,H), C03Q(H0AA,HA), C03U(H2AA,HB), C03V(H3AA,
 HC), C03X(H5AA,HD), C040(H04A,H04B), C041(H04C,H04D), C046(H04E,H04F),
 C04A(H04G,H04H), C04B(H04I,H04J), C04D(H04K,H04L), C04F(H04N,H04O), C04G(H04P,
 H04Q), C04H(H04R,H04S), C04J(H04T,H04U), C04K(H04V,H04W), C04L(H04X,H04Y),
 C04N(H04Z,HE), C04Q(H7AA,HF), C04T(H0BA,HG), C04U(H1BA,HH), C04V(H2BA,HI),
 C04W(H3BA,HJ), C04Y(H4BA,HK), C04Z(H5BA,HL), C052(H05A,H05B), C054(H05C,H05D),
 C056(H05E,H05F), C057(H05G,H05H), C059(H05I,H05J), C05B(H05L,H05M), C05C(H05N,
 H05O), C05D(H05P,H05Q), C05H(H05U,H05V), C05I(H05W,H05X), C05J(H05Y,HM),
 C05K(H05Z,HN), C05L(H05,HO), C05M(H6BA,HP), C05N(H7BA,HQ), C05O(H8BA,HR),
 C05R(H1CA,HS), C05S(H2CA,HT), C05U(H4CA,HU), C05V(H5CA,HV), C05X(H6CA,HW),
 C05Y(H7CA,HX), C060(H06A,H06B), C061(H06C,H06D), C062(H06E,H06F), C063(H06G,
 H06H), C064(H06I,H06J), C065(H06K,H06L), C066(H06M,H06N), C067(H06O,H06P),
 C068(H06Q,H06R), C069(H06S,H06T), C06A(H06U,H06V), C06E(H06Y,HY), C06G(H06Z,
 HZ), C06I(H9CA,H1JA), C06J(H0DA,H2JA), C06K(H1DA,H3JA), C06L(H2DA,H4JA),
 C06M(H3DA,H5JA), C06N(H4DA,H6JA), C06P(H6DA,H7JA), C06R(H8DA,H8JA), C06S(H9DA,
 H9JA), C06T(H0EA,H0KA), C06U(H1EA,H1KA), C06V(H2EA,H2KA), C06X(H4EA,H3KA),
 C06Y(H5EA,H4KA), C06Z(H6EA,H5KA), C071(H07A,H07B), C073(H07C,H07D), C074(H07E,
 H07F), C075(H07G,H07H), C078(H07I,H07J), C07C(H07M,H07N), C07F(H07Q,H07R),
 C07H(H07T,H07U), C07L(H07Y,H6KA), C07M(H07Z,H7KA), C07Q(H8EA,H8KA), C07R(H9EA,
 H9KA), C07S(H0FA,H0LA), C07W(H2FA,H1LA), C07Y(H4FA,H2LA), C07Z(H5FA,H3LA),
 C080(H08A,H08B), C084(H08C,H08D), C086(H08E,H08F), C088(H08G,H08H), C089(H08I,
 H08J), C08A(H08K,H08L), C08C(H08N,H08O), C08D(H08P,H08Q), C08E(H08R,H08S),
 C08F(H08T,H08U), C08I(H08X,H08Y), C08J(H08Z,H4LA), C08M(H7FA,H5LA), C08N(H8FA,
 H6LA), C08P(H0GA,H7LA), C08Q(H1GA,H8LA), C08S(H3GA,H9LA), C08V(H6GA,H0MA),
 C08W(H7GA,H1MA), C08X(H8GA,H2MA), C08Y(H9GA,H3MA), C08Z(H0HA,H4MA), C090(H09A,
 H09B), C092(H09C,H09D), C093(H09E,H09F), C094(H09G,H09H), C096(H09I,H09J),
 C097(H09K,H09L), C098(H09M,H09N), C09A(H09O,H09P), C09B(H09Q,H09R), C09E(H09U,
 H09V), C09H(H09Y,H5MA), C09I(H09Z,H6MA), C09J(H09,H7MA), C09K(H1HA,H8MA),
 C09P(H5HA,H9MA), C09Q(H6HA,H0NA), C09V(H0IA,H1NA), C09X(H1IA,H2NA), C09Y(H2IA,
 H3NA), C0A3(H0AB,H0AC), C0A5(H0AD,H0AE), C0A6(H0AF,H0AG), C0A9(H0AH,H0AI),
 C0AA(H0AJ,H0AK), C0AC(H0AL,H0AM), C0AD(H0AN,H0AO), C0AE(H0AP,H0AQ), C0AG(H0AS,
 H0AT), C0AJ(H0AV,H0AW), C0AK(H0AX,H0AY), C0AL(H0AZ,H4NA), C0AM(H0A,H5NA),
 C0AP(H6IA,H6NA), C0AV(H9IA,H7NA), C0B1(H0BB,H0BC), C0B2(H0BD,H0BE), C0B3(H0BF,
 H0BG), C0B4(H0BH,H0BI), C0B5(H0BJ,H0BK), C0B8(H0BL,H0BM), C0B9(H0BN,H0BO),
 C0BA(H0BP,H0BQ), C0BH(H0BR,H0BS), C0BK(H0BT,H0BU), C0BN(H0BV,H0BW), C14(H14A,
 H14B), C20(H20A,H20B), C40(H40A,H40B), C50(H50A,H50B), C92(H92A,H92B),
 C65(H65A,H65B)
5.c Aromatic/amide H refined with riding coordinates:
 C09T(H8HA)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag01 Ag 0.56300(5) 0.29397(5) 0.76150(2) 0.030 Uani 1 1 d . . . . .
Ag02 Ag 0.52403(6) 0.26304(5) 0.67856(2) 0.033 Uani 1 1 d . . . . .
Ag03 Ag 0.49310(6) 0.33245(6) 0.71578(2) 0.037 Uani 1 1 d . . . . .
Ag04 Ag 0.32422(6) 0.41074(6) 0.72491(2) 0.036 Uani 1 1 d . . . . .
Ag05 Ag 0.63183(6) 0.36055(6) 0.71910(2) 0.037 Uani 1 1 d . . . . .
Ag06 Ag 0.31801(6) 0.25793(6) 0.68139(2) 0.036 Uani 1 1 d . . . . .
Ag07 Ag 0.62905(6) 0.44714(6) 0.82265(2) 0.037 Uani 1 1 d . . . . .
Ag08 Ag 0.59405(6) 0.22082(6) 0.72367(2) 0.035 Uani 1 1 d . . . . .
Ag09 Ag 0.69258(6) 0.54644(6) 0.68636(2) 0.038 Uani 1 1 d . . . . .
Ag0A Ag 0.49321(6) 0.49416(6) 0.67597(2) 0.040 Uani 1 1 d . . . . .
Ag0B Ag 0.52987(6) 0.40068(6) 0.77339(2) 0.037 Uani 1 1 d . . . . .
Ag0C Ag 0.52141(6) 0.30386(6) 0.81131(2) 0.037 Uani 1 1 d . . . . .
Ag0D Ag 0.39365(6) 0.39869(6) 0.79685(2) 0.039 Uani 1 1 d . . . . .
Ag0E Ag 0.74021(6) 0.63282(6) 0.74882(2) 0.040 Uani 1 1 d . . . . .
Ag0F Ag 0.54171(6) 0.57416(6) 0.74026(2) 0.040 Uani 1 1 d . . . . .
Ag0G Ag 0.45158(6) 0.19132(6) 0.71938(2) 0.038 Uani 1 1 d . . . . .
Ag0H Ag 0.66980(6) 0.43646(5) 0.77461(2) 0.038 Uani 1 1 d . . . . .
Ag0I Ag 0.55348(7) 0.41218(6) 0.62375(2) 0.041 Uani 1 1 d . . . . .
Ag0J Ag 0.66333(7) 0.24339(6) 0.64820(2) 0.043 Uani 1 1 d . . . . .
Ag0K Ag 0.49489(6) 0.44649(6) 0.85679(2) 0.043 Uani 1 1 d . . . . .
Ag0L Ag 0.66543(6) 0.34150(6) 0.81278(2) 0.042 Uani 1 1 d . . . . .
Ag0M Ag 0.77178(6) 0.36109(6) 0.69634(3) 0.044 Uani 1 1 d . . . . .
Ag0N Ag 0.84054(6) 0.51192(6) 0.80985(2) 0.043 Uani 1 1 d . . . . .
Ag0O Ag 0.67303(7) 0.65808(6) 0.81223(2) 0.044 Uani 1 1 d . . . . .
Ag0P Ag 0.55106(7) 0.09990(7) 0.66484(2) 0.046 Uani 1 1 d . . . . .
Ag0Q Ag 0.39793(7) 0.56480(6) 0.79043(2) 0.046 Uani 1 1 d . . . . .
Ag0R Ag 0.32908(6) 0.38880(7) 0.64585(2) 0.045 Uani 1 1 d . . . . .
Ag0S Ag 0.87577(6) 0.54136(6) 0.73535(3) 0.046 Uani 1 1 d . . . . .
Ag0T Ag 0.50507(7) 0.07640(6) 0.59051(2) 0.046 Uani 1 1 d . . . . .
Ag0U Ag 0.79830(7) 0.49320(6) 0.65279(3) 0.047 Uani 1 1 d . . . . .
Ag0V Ag 0.39657(7) 0.04594(6) 0.66002(2) 0.047 Uani 1 1 d . . . . .
Ag0W Ag 0.29862(7) 0.09876(7) 0.63816(2) 0.038 Uani 0.9 1 d . . P A 1
Ag0X Ag 0.33975(7) -0.00364(6) 0.57604(2) 0.048 Uani 1 1 d . . . . .
Ag0Y Ag 0.64139(7) 0.59716(7) 0.90539(2) 0.049 Uani 1 1 d . . . . .
Ag0Z Ag 0.52916(8) 0.62335(7) 0.83855(3) 0.052 Uani 1 1 d . . . . .
Ag10 Ag 0.62676(7) 0.48576(6) 0.93945(3) 0.049 Uani 1 1 d . . . . .
Ag11 Ag 0.68897(7) 0.38600(7) 0.60578(3) 0.051 Uani 1 1 d . . . . .
Ag12 Ag 0.55799(7) 0.34208(7) 0.88854(3) 0.052 Uani 1 1 d . . . . .
Ag13 Ag 0.53535(7) 0.21155(6) 0.57960(2) 0.049 Uani 1 1 d . . . . .
Ag14 Ag 0.87180(7) 0.69004(7) 0.84445(3) 0.050 Uani 1 1 d . . . . .
Ag15 Ag 0.89538(7) 0.67513(7) 0.79014(3) 0.052 Uani 1 1 d . . . . .
Ag16 Ag 0.76362(7) 0.63111(7) 0.87640(3) 0.053 Uani 1 1 d . . . . .
Ag17 Ag 0.33083(8) 0.29517(7) 0.60385(3) 0.056 Uani 1 1 d . . . . .
Ag18 Ag 0.77888(8) 0.52338(8) 0.96030(3) 0.057 Uani 1 1 d . . . . .
Ag19 Ag 0.60162(7) 0.48094(7) 0.72787(3) 0.053 Uani 1 1 d . . . . .
Ag1A Ag 0.70144(8) 0.37255(7) 0.89046(3) 0.053 Uani 0.9 1 d . U P B 1
Ag1B Ag 0.74290(7) 0.56852(7) 0.80487(3) 0.055 Uani 1 1 d . . . . .
Ag1C Ag 0.44658(7) 0.33872(7) 0.65997(3) 0.054 Uani 1 1 d . . . . .
Ag1D Ag 0.40862(8) 0.22807(8) 0.59190(3) 0.063 Uani 1 1 d . . . . .
Ag1E Ag 0.53438(8) 0.51823(7) 0.79805(3) 0.057 Uani 1 1 d . . . . .
Ag1F Ag 0.65490(8) 0.38881(8) 0.66647(3) 0.057 Uani 1 1 d . . . . .
Br1G Br 0.44419(8) 0.18237(8) 0.77567(3) 0.037 Uani 1 1 d . . . . .
Ag1H Ag 0.83203(9) 0.49940(8) 0.88395(3) 0.054 Uani 0.9 1 d . . P B 2
Ag1I Ag 0.48112(9) 0.17635(8) 0.63432(3) 0.061 Uani 1 1 d . . . . .
Ag1J Ag 0.66114(9) 0.48678(8) 0.87529(3) 0.063 Uani 1 1 d . . . . .
Br1K Br 0.64907(9) 0.22888(8) 0.77908(3) 0.039 Uani 1 1 d . . . . .
Br1L Br 0.39903(8) 0.33545(9) 0.74200(3) 0.042 Uani 1 1 d . . . . .
Br1M Br 0.76208(9) 0.42290(9) 0.75060(3) 0.046 Uani 1 1 d . . . . .
S01N S 0.58611(19) 0.52081(18) 0.65093(7) 0.032 Uani 1 1 d . . . . .
S01O S 0.33088(17) 0.15610(17) 0.68687(7) 0.030 Uani 1 1 d . . . . .
S01P S 0.42698(17) 0.50910(17) 0.70693(7) 0.031 Uani 1 1 d . . . . .
S01Q S 0.66001(18) 0.66764(18) 0.76307(7) 0.034 Uani 1 1 d . . . . .
S01R S 0.69215(18) 0.23919(18) 0.69737(7) 0.033 Uani 1 1 d . . . . .
S01S S 0.80600(18) 0.60898(17) 0.72011(7) 0.033 Uani 1 1 d . . . . .
S01T S 0.26532(19) 0.33271(19) 0.67978(7) 0.035 Uani 1 1 d . . . . .
S01U S 0.32185(19) 0.4460(2) 0.77210(7) 0.036 Uani 1 1 d . . . . .
S01V S 0.43573(19) 0.33601(19) 0.82836(8) 0.037 Uani 1 1 d . . . . .
S01W S 0.4886(2) 0.09056(18) 0.70284(7) 0.038 Uani 1 1 d . . . . .
S01X S 0.79351(19) 0.4222(2) 0.83883(7) 0.037 Uani 1 1 d . . . . .
S01Y S 0.5215(2) 0.32152(19) 0.58654(7) 0.039 Uani 1 1 d . . . . .
S01Z S 0.4886(2) 0.6825(2) 0.80427(8) 0.044 Uani 1 1 d . . . . .
S020 S 0.5962(2) 0.2849(2) 0.85743(7) 0.040 Uani 1 1 d . . . . .
S021 S 0.6830(2) 0.6765(2) 0.86158(8) 0.042 Uani 1 1 d . . . . .
S022 S 0.5197(2) 0.5566(2) 0.87814(8) 0.042 Uani 1 1 d . . . . .
S023 S 0.6629(2) 0.2675(2) 0.60140(8) 0.042 Uani 1 1 d . . . . .
S024 S 0.4231(2) 0.1015(2) 0.55929(7) 0.040 Uani 1 1 d . . . . .
S025 S 0.8646(2) 0.4747(2) 0.69293(8) 0.042 Uani 1 1 d . . . . .
S026 S 0.2995(2) -0.0083(2) 0.61939(8) 0.043 Uani 1 1 d . . . . .
S027 S 0.7271(2) 0.6009(2) 0.94683(8) 0.044 Uani 1 1 d . . . . .
S028 S 0.9264(2) 0.5875(2) 0.78475(9) 0.046 Uani 1 1 d . . . . .
S029 S 0.2910(2) 0.1740(2) 0.60106(8) 0.048 Uani 1 1 d . . . . .
S02A S 0.8770(2) 0.7638(2) 0.80900(9) 0.047 Uani 1 1 d . . . . .
S02B S 0.5246(2) 0.3746(2) 0.92815(9) 0.049 Uani 1 1 d . . . . .
S02C S 0.3711(2) 0.4157(2) 0.60435(8) 0.046 Uani 1 1 d . . . . .
S02D S 0.5864(2) 0.0614(2) 0.62652(9) 0.045 Uani 1 1 d . . . . .
S02E S 0.8749(2) 0.6268(2) 0.88307(9) 0.050 Uani 1 1 d . . . . .
S02F S 0.7461(2) 0.5095(2) 0.60811(10) 0.054 Uani 1 1 d . . . . .
S02G S 0.7961(3) 0.4517(3) 0.92805(9) 0.053 Uani 1 1 d . . . . .
C02M C 0.8616(9) 0.6878(9) 0.7068(3) 0.044 Uani 1 1 d . U . . .
C02N C 0.7527(9) 0.2024(9) 0.7063(4) 0.047 Uani 1 1 d . U . . .
C02O C 0.5133(9) 0.3523(9) 0.5521(3) 0.043 Uani 1 1 d . U . . .
C02P C 0.6774(9) 0.7535(8) 0.7539(3) 0.041 Uani 1 1 d . U . . .
C02Q C 0.4459(10) 0.5407(9) 0.8955(4) 0.049 Uani 1 1 d . U . . .
C02R C 0.9169(9) 0.4172(9) 0.8595(4) 0.048 Uani 1 1 d . U . . .
H02A H 0.909896 0.422300 0.878099 0.057 Uiso 1 1 calc R . . . .
H02B H 0.941885 0.463061 0.854181 0.057 Uiso 1 1 calc R . . . .
C02S C 0.2597(9) 0.1469(8) 0.7285(3) 0.041 Uani 1 1 d . U . . .
H02C H 0.306198 0.171194 0.741475 0.049 Uiso 1 1 calc R . . . .
H02D H 0.248156 0.181162 0.720805 0.049 Uiso 1 1 calc R . . . .
C02T C 0.4785(9) 0.0187(9) 0.7237(3) 0.044 Uani 1 1 d . U . . .
C02V C 0.8253(9) 0.7309(8) 0.6998(3) 0.041 Uani 1 1 d . U . . .
H02E H 0.814897 0.744546 0.716478 0.049 Uiso 1 1 calc R . . . .
H02F H 0.780643 0.704058 0.685924 0.049 Uiso 1 1 calc R . . . .
C02W C 0.1677(9) 0.2828(10) 0.6641(4) 0.048 Uani 1 1 d . U . . .
C02X C 0.6022(9) 0.5940(8) 0.6302(3) 0.040 Uani 1 1 d . U . . .
C02Y C 0.3965(10) 0.5707(10) 0.6958(4) 0.055 Uani 1 1 d . U . . .
C02Z C 0.8439(9) 0.3747(9) 0.8387(3) 0.045 Uani 1 1 d . U . . .
C030 C 0.2621(8) 0.1016(8) 0.7044(3) 0.041 Uani 1 1 d . U . . .
C031 C 0.2812(9) 0.0494(8) 0.7172(3) 0.043 Uani 1 1 d . U . . .
H03A H 0.328013 0.073668 0.729946 0.051 Uiso 1 1 calc R . . . .
H03B H 0.283248 0.020814 0.702478 0.051 Uiso 1 1 calc R . . . .
C033 C 0.6138(9) 0.6491(9) 0.5778(4) 0.048 Uani 1 1 d . U . . .
H03C H 0.606598 0.609032 0.566207 0.057 Uiso 1 1 calc R . . . .
H03D H 0.621254 0.685613 0.566230 0.057 Uiso 1 1 calc R . . . .
C034 C 0.2804(10) -0.1354(10) 0.6236(4) 0.053 Uani 1 1 d . U . . .
H03E H 0.324954 -0.113411 0.637797 0.064 Uiso 1 1 calc R . . . .
H03F H 0.291794 -0.134389 0.605426 0.064 Uiso 1 1 calc R . . . .
C035 C 0.2421(10) -0.0973(10) 0.6249(4) 0.053 Uani 1 1 d . U . . .
C036 C 0.2295(9) 0.4031(9) 0.7775(3) 0.045 Uani 1 1 d . U . . .
C037 C 0.9340(9) 0.7327(9) 0.7289(3) 0.045 Uani 1 1 d . U . . .
H03G H 0.924465 0.746787 0.745748 0.054 Uiso 1 1 calc R . . . .
H03H H 0.957013 0.705116 0.733828 0.054 Uiso 1 1 calc R . . . .
C038 C 0.5479(10) 0.6303(9) 0.5888(4) 0.048 Uani 1 1 d . U . . .
H038 H 0.505882 0.615235 0.573278 0.058 Uiso 1 1 calc R . . . .
C039 C 0.2035(9) 0.1012(9) 0.7438(3) 0.046 Uani 1 1 d . U . . .
H039 H 0.202744 0.130237 0.758999 0.056 Uiso 1 1 calc R . . . .
C03A C 0.4424(9) 0.2962(9) 0.5323(3) 0.045 Uani 1 1 d . U . . .
H03I H 0.401970 0.290348 0.539534 0.054 Uiso 1 1 calc R . . . .
H03J H 0.441779 0.252134 0.530999 0.054 Uiso 1 1 calc R . . . .
C03B C 0.6694(9) 0.7521(9) 0.7222(3) 0.044 Uani 1 1 d . U . . .
H03K H 0.621562 0.716967 0.712508 0.053 Uiso 1 1 calc R . . . .
H03L H 0.703224 0.740744 0.716594 0.053 Uiso 1 1 calc R . . . .
C03C C 0.4439(10) 0.4921(10) 0.9176(4) 0.052 Uani 1 1 d . U . . .
H03M H 0.435708 0.448472 0.908689 0.062 Uiso 1 1 calc R . . . .
H03N H 0.489247 0.513063 0.931337 0.062 Uiso 1 1 calc R . . . .
C03D C 0.7265(13) 0.7694(12) 0.8744(5) 0.070 Uani 1 1 d . U . . .
C03E C 0.2252(9) 0.0027(9) 0.7332(3) 0.047 Uani 1 1 d . U . . .
H03O H 0.238159 -0.030801 0.741242 0.056 Uiso 1 1 calc R . . . .
C03F C 0.8018(10) 0.3036(9) 0.8477(4) 0.050 Uani 1 1 d . U . . .
H03P H 0.755433 0.277392 0.834741 0.059 Uiso 1 1 calc R . . . .
H03Q H 0.794278 0.309221 0.866211 0.059 Uiso 1 1 calc R . . . .
C03G C 0.0796(9) 0.2923(10) 0.7583(4) 0.050 Uani 1 1 d . U . . .
H03R H 0.030820 0.267234 0.760388 0.060 Uiso 1 1 calc R . . . .
H03S H 0.082159 0.271167 0.741334 0.060 Uiso 1 1 calc R . . . .
C03H C 0.4618(10) 0.6091(9) 0.9101(4) 0.051 Uani 1 1 d . U . . .
H03T H 0.464940 0.641012 0.896580 0.061 Uiso 1 1 calc R . . . .
H03U H 0.507048 0.629351 0.923858 0.061 Uiso 1 1 calc R . . . .
C03I C 0.4552(8) 0.7290(7) 0.8235(3) 0.081 Uani 1 1 d D U . . .
C03J C 0.2230(9) 0.0483(9) 0.7563(3) 0.048 Uani 1 1 d . U . . .
H03V H 0.269244 0.072328 0.769458 0.057 Uiso 1 1 calc R . . . .
H03W H 0.187846 0.019654 0.766386 0.057 Uiso 1 1 calc R . . . .
C03K C 0.1737(10) -0.1279(10) 0.6015(4) 0.057 Uani 1 1 d . U . . .
H03X H 0.185128 -0.125223 0.583312 0.068 Uiso 1 1 calc R . . . .
H03Y H 0.148038 -0.102616 0.602694 0.068 Uiso 1 1 calc R . . . .
C03L C 0.9505(11) 0.4893(11) 0.6887(4) 0.057 Uani 1 1 d . U . . .
C03M C 0.6278(9) 0.7171(9) 0.6311(3) 0.045 Uani 1 1 d . U . . .
H03Z H 0.636220 0.757714 0.643054 0.054 Uiso 1 1 calc R . . . .
C03N C 0.5384(9) 0.5717(9) 0.6062(3) 0.045 Uani 1 1 d . U . . .
H03 H 0.496069 0.557510 0.613422 0.054 Uiso 1 1 calc R . . . .
H H 0.531542 0.532175 0.594405 0.054 Uiso 1 1 calc R . . . .
C03P C 0.5364(11) 0.3200(11) 0.9550(4) 0.061 Uani 1 1 d . U . . .
C03Q C 0.1552(9) 0.2334(10) 0.6384(4) 0.052 Uani 1 1 d . U . . .
H0AA H 0.175042 0.203359 0.643807 0.062 Uiso 1 1 calc R . . . .
HA H 0.177696 0.259539 0.624352 0.062 Uiso 1 1 calc R . . . .
C03R C 0.7673(10) 0.8798(9) 0.7613(4) 0.048 Uani 1 1 d . U . . .
H1AA H 0.815365 0.915839 0.771174 0.058 Uiso 1 1 calc R . . . .
C03S C 0.7252(13) 0.6535(12) 0.9764(5) 0.069 Uani 1 1 d . U . . .
C03T C 0.3577(10) 0.2692(10) 0.8396(4) 0.052 Uani 1 1 d . U . . .
C03U C 0.6908(9) 0.7338(9) 0.6198(4) 0.047 Uani 1 1 d . U . . .
H2AA H 0.732276 0.747689 0.635126 0.056 Uiso 1 1 calc R . . . .
HB H 0.700298 0.772365 0.609208 0.056 Uiso 1 1 calc R . . . .
C03V C 0.8949(9) 0.7764(9) 0.6624(4) 0.048 Uani 1 1 d . U . . .
H3AA H 0.851138 0.749377 0.648016 0.058 Uiso 1 1 calc R . . . .
HC H 0.925495 0.817488 0.655002 0.058 Uiso 1 1 calc R . . . .
C03W C 0.4195(11) 0.6761(11) 0.6725(4) 0.062 Uani 1 1 d . U . . .
H4AA H 0.453694 0.712165 0.663726 0.074 Uiso 1 1 calc R . . . .
C03X C 0.6126(9) 0.6554(8) 0.6483(3) 0.042 Uani 1 1 d . U . . .
H5AA H 0.652351 0.668934 0.664389 0.050 Uiso 1 1 calc R . . . .
HD H 0.569987 0.643187 0.655148 0.050 Uiso 1 1 calc R . . . .
C03Y C 0.7308(11) 0.2570(11) 0.5890(4) 0.058 Uani 1 1 d . U . . .
C03Z C 0.7674(11) 0.1702(11) 0.5765(4) 0.063 Uani 1 1 d . U . . .
H6AA H 0.754818 0.121236 0.575262 0.076 Uiso 1 1 calc R . . . .
C040 C 0.4847(12) 0.2456(10) 0.9434(4) 0.060 Uani 1 1 d . U . . .
H04A H 0.495540 0.233434 0.926517 0.072 Uiso 1 1 calc R . . . .
H04B H 0.436372 0.238473 0.938538 0.072 Uiso 1 1 calc R . . . .
C041 C 0.7590(9) 0.8769(9) 0.7296(4) 0.048 Uani 1 1 d . U . . .
H04C H 0.770607 0.922397 0.724409 0.058 Uiso 1 1 calc R . . . .
H04D H 0.792064 0.864124 0.724235 0.058 Uiso 1 1 calc R . . . .
C042 C 0.6789(9) 0.6729(9) 0.6013(3) 0.046 Uani 1 1 d . U . . .
H042 H 0.720777 0.685694 0.593583 0.055 Uiso 1 1 calc R . . . .
C043 C 0.9319(9) 0.7343(9) 0.6692(4) 0.048 Uani 1 1 d . U . . .
H043 H 0.942789 0.721194 0.652333 0.058 Uiso 1 1 calc R . . . .
C044 C 0.5735(11) 0.1968(11) 0.8663(4) 0.061 Uani 1 1 d . U . . .
C045 C 0.9630(10) 0.3804(9) 0.8597(4) 0.049 Uani 1 1 d . U . . .
H045 H 1.009616 0.406837 0.872979 0.058 Uiso 1 1 calc R . . . .
C046 C 0.1410(9) 0.3332(10) 0.6560(4) 0.052 Uani 1 1 d . U . . .
H04E H 0.163687 0.359078 0.641923 0.062 Uiso 1 1 calc R . . . .
H04F H 0.152187 0.365745 0.672234 0.062 Uiso 1 1 calc R . . . .
C047 C 0.2162(12) 0.1285(10) 0.5699(4) 0.080 Uani 1 1 d D U . . .
C048 C 0.3998(10) 0.5954(10) 0.9247(4) 0.052 Uani 1 1 d . U . . .
H048 H 0.408951 0.639809 0.933723 0.063 Uiso 1 1 calc R . . . .
C049 C 0.5048(9) 0.4428(9) 0.5246(3) 0.048 Uani 1 1 d . U . . .
H049 H 0.504648 0.486922 0.526126 0.057 Uiso 1 1 calc R . . . .
C04A C 0.3780(10) 0.5095(10) 0.8749(4) 0.052 Uani 1 1 d . U . . .
H04G H 0.370817 0.467361 0.865038 0.062 Uiso 1 1 calc R . . . .
H04H H 0.380307 0.541088 0.861336 0.062 Uiso 1 1 calc R . . . .
C04B C 0.5028(9) 0.3314(9) 0.4922(3) 0.045 Uani 1 1 d . U . . .
H04I H 0.503664 0.288104 0.490740 0.054 Uiso 1 1 calc R . . . .
H04J H 0.499160 0.345354 0.473692 0.054 Uiso 1 1 calc R . . . .
C04C C 0.5485(9) -0.0319(9) 0.6255(4) 0.046 Uani 1 1 d . U . . .
C04D C 0.8134(10) 0.2486(10) 0.7309(4) 0.053 Uani 1 1 d . U . . .
H04K H 0.794729 0.251603 0.746961 0.063 Uiso 1 1 calc R . . . .
H04L H 0.839780 0.294853 0.726231 0.063 Uiso 1 1 calc R . . . .
C04E C 0.8449(9) 0.2645(9) 0.8481(4) 0.047 Uani 1 1 d . U . . .
H04M H 0.819049 0.219438 0.854412 0.057 Uiso 1 1 calc R . . . .
C04F C 0.9185(9) 0.3061(9) 0.8678(4) 0.049 Uani 1 1 d . U . . .
H04N H 0.944729 0.281084 0.867590 0.059 Uiso 1 1 calc R . . . .
H04O H 0.912998 0.310706 0.886754 0.059 Uiso 1 1 calc R . . . .
C04G C 0.7536(9) 0.8083(9) 0.7690(4) 0.046 Uani 1 1 d . U . . .
H04P H 0.787811 0.797295 0.763497 0.055 Uiso 1 1 calc R . . . .
H04Q H 0.759466 0.808753 0.789086 0.055 Uiso 1 1 calc R . . . .
C04H C 0.8804(9) 0.6689(9) 0.6800(3) 0.046 Uani 1 1 d . U . . .
H04R H 0.902446 0.640082 0.684177 0.055 Uiso 1 1 calc R . . . .
H04S H 0.836932 0.642437 0.665457 0.055 Uiso 1 1 calc R . . . .
C04I C 0.9641(6) 0.8422(6) 0.8192(3) 0.088 Uani 1 1 d D U . . .
C04J C 0.4703(10) -0.0705(9) 0.6099(4) 0.050 Uani 1 1 d . U . . .
H04T H 0.465926 -0.059646 0.590865 0.061 Uiso 1 1 calc R . . . .
H04U H 0.443282 -0.055490 0.618937 0.061 Uiso 1 1 calc R . . . .
C04K C 0.5514(9) 0.0219(9) 0.7332(4) 0.048 Uani 1 1 d . U . . .
H04V H 0.586020 0.066826 0.743910 0.057 Uiso 1 1 calc R . . . .
H04W H 0.568054 0.016228 0.716953 0.057 Uiso 1 1 calc R . . . .
C04L C 0.3111(10) 0.4450(10) 0.9108(4) 0.054 Uani 1 1 d . U . . .
H04X H 0.274082 0.439514 0.920160 0.064 Uiso 1 1 calc R . . . .
H04Y H 0.299916 0.399496 0.902632 0.064 Uiso 1 1 calc R . . . .
C04M C 0.9428(13) 0.6901(13) 0.9126(5) 0.073 Uani 1 1 d . U . . .
C04N C 0.7108(10) 0.1310(10) 0.7133(4) 0.053 Uani 1 1 d . U . . .
H04Z H 0.672417 0.102510 0.697161 0.064 Uiso 1 1 calc R . . . .
HE H 0.689444 0.133075 0.728557 0.064 Uiso 1 1 calc R . . . .
C04O C 0.1279(9) 0.2887(10) 0.7823(4) 0.051 Uani 1 1 d . U . . .
H04 H 0.113339 0.240067 0.784206 0.061 Uiso 1 1 calc R . . . .
C04P C 0.8136(13) 0.5365(13) 0.5888(5) 0.077 Uani 1 1 d . U . . .
C04Q C 0.2050(9) 0.3259(10) 0.7782(4) 0.050 Uani 1 1 d . U . . .
H7AA H 0.236759 0.320379 0.793448 0.060 Uiso 1 1 calc R . . . .
HF H 0.206617 0.305667 0.760817 0.060 Uiso 1 1 calc R . . . .
C04R C 0.2337(11) -0.2132(10) 0.6283(4) 0.058 Uani 1 1 d . U . . .
H8AA H 0.260060 -0.238270 0.627223 0.070 Uiso 1 1 calc R . . . .
C04S C 0.9843(9) 0.7974(9) 0.7176(4) 0.047 Uani 1 1 d . U . . .
H9AA H 1.029310 0.824925 0.731628 0.057 Uiso 1 1 calc R . . . .
C04T C 0.5129(10) 0.4200(9) 0.5547(3) 0.045 Uani 1 1 d . U . . .
H0BA H 0.557145 0.455048 0.567070 0.054 Uiso 1 1 calc R . . . .
HG H 0.473486 0.414543 0.562499 0.054 Uiso 1 1 calc R . . . .
C04U C 0.4371(10) 0.3905(9) 0.5063(3) 0.048 Uani 1 1 d . U . . .
H1BA H 0.430684 0.405576 0.488112 0.058 Uiso 1 1 calc R . . . .
HH H 0.397751 0.384472 0.514290 0.058 Uiso 1 1 calc R . . . .
C04V C 0.1297(9) 0.0639(9) 0.7238(4) 0.049 Uani 1 1 d . U . . .
H2BA H 0.117342 0.097399 0.715834 0.059 Uiso 1 1 calc R . . . .
HI H 0.093986 0.035713 0.733707 0.059 Uiso 1 1 calc R . . . .
C04W C 0.5930(10) -0.0542(9) 0.6131(4) 0.050 Uani 1 1 d . U . . .
H3BA H 0.641655 -0.030549 0.624367 0.060 Uiso 1 1 calc R . . . .
HJ H 0.593903 -0.041263 0.594405 0.060 Uiso 1 1 calc R . . . .
C04X C 0.4165(10) 0.0837(10) 0.5217(4) 0.051 Uani 1 1 d . U . . .
C04Y C 0.4275(9) -0.0507(9) 0.7061(4) 0.047 Uani 1 1 d . U . . .
H4BA H 0.381122 -0.053861 0.699521 0.057 Uiso 1 1 calc R . . . .
HK H 0.445036 -0.054608 0.689885 0.057 Uiso 1 1 calc R . . . .
C04Z C 0.3021(10) 0.2167(10) 0.8157(4) 0.053 Uani 1 1 d . U . . .
H5BA H 0.284141 0.239648 0.802514 0.064 Uiso 1 1 calc R . . . .
HL H 0.323800 0.196109 0.806058 0.064 Uiso 1 1 calc R . . . .
C052 C 0.6683(9) 0.6131(9) 0.6190(3) 0.044 Uani 1 1 d . U . . .
H05A H 0.661966 0.573420 0.607439 0.052 Uiso 1 1 calc R . . . .
H05B H 0.709897 0.627924 0.634339 0.052 Uiso 1 1 calc R . . . .
C053 C 0.4374(9) 0.3206(9) 0.5029(3) 0.044 Uani 1 1 d . U . . .
H053 H 0.393413 0.285937 0.489757 0.053 Uiso 1 1 calc R . . . .
C054 C 0.6223(9) 0.7694(9) 0.7619(4) 0.046 Uani 1 1 d . U . . .
H05C H 0.624702 0.768128 0.781776 0.055 Uiso 1 1 calc R . . . .
H05D H 0.574641 0.735072 0.751668 0.055 Uiso 1 1 calc R . . . .
C055 C 0.8772(9) 0.7977(9) 0.6880(4) 0.046 Uani 1 1 d . U . . .
H055 H 0.853986 0.825653 0.682987 0.055 Uiso 1 1 calc R . . . .
C056 C 0.9714(9) 0.3678(9) 0.8301(4) 0.047 Uani 1 1 d . U . . .
H05E H 0.997682 0.342740 0.830453 0.057 Uiso 1 1 calc R . . . .
H05F H 0.998053 0.411817 0.823641 0.057 Uiso 1 1 calc R . . . .
C057 C 0.2271(9) 0.4368(10) 0.8037(4) 0.049 Uani 1 1 d . U . . .
H05G H 0.242142 0.485242 0.802439 0.058 Uiso 1 1 calc R . . . .
H05H H 0.259264 0.434023 0.819645 0.058 Uiso 1 1 calc R . . . .
C058 C 0.4452(10) -0.0334(9) 0.7672(4) 0.050 Uani 1 1 d . U . . .
H058 H 0.427957 -0.028972 0.783728 0.059 Uiso 1 1 calc R . . . .
C059 C 0.4478(11) 0.6243(11) 0.6828(5) 0.062 Uani 1 1 d . U . . .
H05I H 0.454575 0.603010 0.667037 0.075 Uiso 1 1 calc R . . . .
H05J H 0.493475 0.649763 0.696255 0.075 Uiso 1 1 calc R . . . .
C05A C 0.6836(9) 0.8251(9) 0.7142(4) 0.046 Uani 1 1 d . U . . .
H05K H 0.678790 0.824831 0.693934 0.055 Uiso 1 1 calc R . . . .
C05B C 0.6130(11) 0.3326(11) 0.9626(4) 0.060 Uani 1 1 d . U . . .
H05L H 0.645783 0.381228 0.969550 0.071 Uiso 1 1 calc R . . . .
H05M H 0.625206 0.320637 0.946155 0.071 Uiso 1 1 calc R . . . .
C05C C 0.9460(9) 0.8403(9) 0.7101(4) 0.048 Uani 1 1 d . U . . .
H05N H 0.935370 0.853855 0.726752 0.057 Uiso 1 1 calc R . . . .
H05O H 0.976978 0.881970 0.703218 0.057 Uiso 1 1 calc R . . . .
C05D C 0.1808(9) 0.4105(10) 0.7523(3) 0.047 Uani 1 1 d . U . . .
H05P H 0.183682 0.390606 0.735082 0.056 Uiso 1 1 calc R . . . .
H05Q H 0.195727 0.459010 0.751293 0.056 Uiso 1 1 calc R . . . .
C05E C 0.8950(9) 0.3245(9) 0.8095(4) 0.045 Uani 1 1 d . U . . .
H05R H 0.901200 0.317595 0.790706 0.054 Uiso 1 1 calc R . . . .
C05F C 0.1497(9) 0.3989(10) 0.8074(4) 0.049 Uani 1 1 d . U . . .
H05S H 0.147400 0.419798 0.824754 0.058 Uiso 1 1 calc R . . . .
C05G C 0.2417(10) 0.1613(10) 0.8250(4) 0.056 Uani 1 1 d . U . . .
H05T H 0.207068 0.127173 0.808941 0.067 Uiso 1 1 calc R . . . .
C05H C 0.3225(10) 0.3048(10) 0.8538(4) 0.056 Uani 1 1 d . U . . .
H05U H 0.357269 0.338837 0.869518 0.067 Uiso 1 1 calc R . . . .
H05V H 0.305486 0.328195 0.840473 0.067 Uiso 1 1 calc R . . . .
C05I C 0.1892(9) 0.0635(9) 0.6845(3) 0.044 Uani 1 1 d . U . . .
H05W H 0.190322 0.034884 0.669489 0.053 Uiso 1 1 calc R . . . .
H05X H 0.176740 0.096583 0.676203 0.053 Uiso 1 1 calc R . . . .
C05J C 0.7811(10) 0.1945(10) 0.6808(4) 0.052 Uani 1 1 d . U . . .
H05Y H 0.741527 0.163889 0.665413 0.063 Uiso 1 1 calc R . . . .
HM H 0.806753 0.239275 0.674700 0.063 Uiso 1 1 calc R . . . .
C05K C 0.7331(11) 0.2805(11) 0.5607(4) 0.062 Uani 1 1 d . U . . .
H05Z H 0.744745 0.328706 0.562116 0.075 Uiso 1 1 calc R . . . .
HN H 0.686541 0.253284 0.547926 0.075 Uiso 1 1 calc R . . . .
C05L C 0.9985(11) 0.5669(11) 0.6834(4) 0.060 Uani 1 1 d . U . . .
H05 H 0.975429 0.575291 0.666149 0.072 Uiso 1 1 calc R . . . .
HO H 1.003101 0.598801 0.698614 0.072 Uiso 1 1 calc R . . . .
C05M C 0.3493(11) 0.0825(10) 0.5057(4) 0.055 Uani 1 1 d . U . . .
H6BA H 0.351678 0.126556 0.510239 0.066 Uiso 1 1 calc R . . . .
HP H 0.307942 0.046427 0.510936 0.066 Uiso 1 1 calc R . . . .
C05N C 0.1273(10) 0.3244(10) 0.8090(4) 0.051 Uani 1 1 d . U . . .
H7BA H 0.079592 0.301073 0.812273 0.061 Uiso 1 1 calc R . . . .
HQ H 0.159457 0.320863 0.824728 0.061 Uiso 1 1 calc R . . . .
C05O C 1.1140(11) 0.5946(11) 0.8495(4) 0.059 Uani 1 1 d . U . . .
H8BA H 1.161579 0.605927 0.859789 0.070 Uiso 1 1 calc R . . . .
HR H 1.079721 0.560590 0.858533 0.070 Uiso 1 1 calc R . . . .
C05P C 0.3843(10) 0.4796(10) 0.9318(4) 0.053 Uani 1 1 d . U . . .
H9BA H 0.383314 0.448703 0.945806 0.064 Uiso 1 1 calc R . . . .
C05Q C 0.1016(9) 0.3711(10) 0.7561(4) 0.048 Uani 1 1 d . U . . .
H0CA H 0.069383 0.373792 0.739839 0.058 Uiso 1 1 calc R . . . .
C05R C 0.8544(9) 0.3642(9) 0.8087(3) 0.046 Uani 1 1 d . U . . .
H1CA H 0.808219 0.338575 0.795532 0.055 Uiso 1 1 calc R . . . .
HS H 0.880862 0.408821 0.802626 0.055 Uiso 1 1 calc R . . . .
C05S C 0.5514(10) -0.0513(9) 0.6560(4) 0.050 Uani 1 1 d . U . . .
H2CA H 0.600449 -0.026864 0.666907 0.060 Uiso 1 1 calc R . . . .
HT H 0.523511 -0.037035 0.664812 0.060 Uiso 1 1 calc R . . . .
C05T C 0.0588(10) 0.2903(10) 0.6443(4) 0.055 Uani 1 1 d . U . . .
H3CA H 0.039672 0.321379 0.638853 0.066 Uiso 1 1 calc R . . . .
C05U C 0.2214(10) -0.0983(10) 0.6534(4) 0.054 Uani 1 1 d . U . . .
H4CA H 0.264097 -0.076645 0.668516 0.065 Uiso 1 1 calc R . . . .
HU H 0.195836 -0.072614 0.653701 0.065 Uiso 1 1 calc R . . . .
C05V C 0.7096(10) 0.8940(9) 0.7693(4) 0.050 Uani 1 1 d . U . . .
H5CA H 0.713537 0.894158 0.789280 0.060 Uiso 1 1 calc R . . . .
HV H 0.718238 0.939444 0.764966 0.060 Uiso 1 1 calc R . . . .
C05X C 1.0296(10) 0.6390(11) 0.8342(4) 0.057 Uani 1 1 d . U . . .
H6CA H 0.995758 0.604513 0.843249 0.069 Uiso 1 1 calc R . . . .
HW H 1.023350 0.679438 0.834996 0.069 Uiso 1 1 calc R . . . .
C05Y C 0.9983(9) 0.7750(9) 0.6909(4) 0.046 Uani 1 1 d . U . . .
H7CA H 1.030255 0.815806 0.683819 0.056 Uiso 1 1 calc R . . . .
HX H 1.021666 0.747509 0.695314 0.056 Uiso 1 1 calc R . . . .
C05Z C 0.4391(10) -0.1497(9) 0.6093(4) 0.050 Uani 1 1 d . U . . .
H8CA H 0.389508 -0.174360 0.598360 0.060 Uiso 1 1 calc R . . . .
C060 C 0.4028(10) 0.1285(10) 0.4658(4) 0.057 Uani 1 1 d . U . . .
H06A H 0.403707 0.171647 0.470686 0.068 Uiso 1 1 calc R . . . .
H06B H 0.397480 0.121304 0.445790 0.068 Uiso 1 1 calc R . . . .
C061 C 0.2074(10) 0.1945(10) 0.8383(4) 0.057 Uani 1 1 d . U . . .
H06C H 0.166414 0.158999 0.844014 0.069 Uiso 1 1 calc R . . . .
H06D H 0.190259 0.217152 0.824647 0.069 Uiso 1 1 calc R . . . .
C062 C 0.5636(11) 0.2096(11) 0.9733(4) 0.062 Uani 1 1 d . U . . .
H06E H 0.575259 0.195872 0.957032 0.074 Uiso 1 1 calc R . . . .
H06F H 0.566343 0.180559 0.987412 0.074 Uiso 1 1 calc R . . . .
C063 C 0.0231(10) 0.2488(10) 0.6652(4) 0.056 Uani 1 1 d . U . . .
H06G H 0.032700 0.279388 0.681813 0.068 Uiso 1 1 calc R . . . .
H06H H -0.028136 0.223424 0.657542 0.068 Uiso 1 1 calc R . . . .
C064 C 0.9435(11) 0.4406(11) 0.6638(4) 0.060 Uani 1 1 d . U . . .
H06I H 0.919014 0.447836 0.646574 0.073 Uiso 1 1 calc R . . . .
H06J H 0.915933 0.392733 0.666585 0.073 Uiso 1 1 calc R . . . .
C065 C 0.4517(10) 0.0265(9) 0.7487(4) 0.048 Uani 1 1 d . U . . .
H06K H 0.405380 0.023633 0.742670 0.058 Uiso 1 1 calc R . . . .
H06L H 0.484550 0.071389 0.759796 0.058 Uiso 1 1 calc R . . . .
C066 C 0.4876(10) -0.1709(10) 0.5955(4) 0.053 Uani 1 1 d . U . . .
H06M H 0.468486 -0.220566 0.594313 0.064 Uiso 1 1 calc R . . . .
H06N H 0.485642 -0.159155 0.576554 0.064 Uiso 1 1 calc R . . . .
C067 C 0.5759(9) 0.3599(9) 0.5406(3) 0.046 Uani 1 1 d . U . . .
H06O H 0.574600 0.315625 0.538602 0.056 Uiso 1 1 calc R . . . .
H06P H 0.620531 0.392704 0.553376 0.056 Uiso 1 1 calc R . . . .
C068 C 0.7164(14) 0.8934(13) 0.8899(5) 0.074 Uani 1 1 d . U . . .
H06Q H 0.664998 0.871923 0.887270 0.089 Uiso 1 1 calc R . . . .
H06R H 0.737219 0.942317 0.896499 0.089 Uiso 1 1 calc R . . . .
C069 C 0.8354(12) 0.3497(10) 0.9258(4) 0.067 Uani 1 1 d D U . . .
H06S H 0.857577 0.370462 0.910708 0.080 Uiso 1 1 calc R . . . .
H06T H 0.785742 0.316016 0.917614 0.080 Uiso 1 1 calc R . . . .
C06A C 0.5597(9) 0.6921(9) 0.6078(4) 0.047 Uani 1 1 d . U . . .
H06U H 0.518986 0.678949 0.615933 0.056 Uiso 1 1 calc R . . . .
H06V H 0.564278 0.729287 0.596908 0.056 Uiso 1 1 calc R . . . .
C06B C 0.3146(10) 0.4925(10) 0.8871(4) 0.053 Uani 1 1 d . U . . .
H06W H 0.270103 0.470555 0.872437 0.063 Uiso 1 1 calc R . . . .
C06D C 0.4906(12) 0.1991(11) 0.9656(4) 0.063 Uani 1 1 d . U . . .
H06X H 0.457313 0.150469 0.957884 0.076 Uiso 1 1 calc R . . . .
C06E C 0.5713(9) 0.4538(9) 0.5145(4) 0.049 Uani 1 1 d . U . . .
H06Y H 0.570868 0.471355 0.496693 0.058 Uiso 1 1 calc R . . . .
HY H 0.614179 0.487522 0.527974 0.058 Uiso 1 1 calc R . . . .
C06F C 0.3062(13) 0.4289(12) 0.5797(5) 0.098 Uani 1 1 d D U . . .
C06G C 0.4706(11) 0.0634(10) 0.4745(4) 0.057 Uani 1 1 d . U . . .
H06Z H 0.466561 0.054986 0.454620 0.068 Uiso 1 1 calc R . . . .
HZ H 0.515262 0.066839 0.484507 0.068 Uiso 1 1 calc R . . . .
C06H C 0.5620(10) -0.1358(9) 0.6114(4) 0.050 Uani 1 1 d . U . . .
H06 H 0.590608 -0.150320 0.602898 0.060 Uiso 1 1 calc R . . . .
C06I C 0.7124(11) 0.1803(11) 0.5865(4) 0.061 Uani 1 1 d . U . . .
H9CA H 0.708841 0.164543 0.604608 0.073 Uiso 1 1 calc R . . . .
H1JA H 0.666268 0.152509 0.573529 0.073 Uiso 1 1 calc R . . . .
C06J C 0.6294(10) 0.8422(9) 0.7233(4) 0.047 Uani 1 1 d . U . . .
H0DA H 0.637353 0.887087 0.718377 0.057 Uiso 1 1 calc R . . . .
H2JA H 0.581093 0.807670 0.713772 0.057 Uiso 1 1 calc R . . . .
C06K C 0.0969(9) 0.4034(10) 0.7820(4) 0.048 Uani 1 1 d . U . . .
H1DA H 0.048418 0.379114 0.784434 0.058 Uiso 1 1 calc R . . . .
H3JA H 0.109835 0.451430 0.780613 0.058 Uiso 1 1 calc R . . . .
C06L C 0.8410(11) 0.2146(11) 0.5956(5) 0.065 Uani 1 1 d . U . . .
H2DA H 0.876016 0.209626 0.587777 0.078 Uiso 1 1 calc R . . . .
H4JA H 0.841920 0.198596 0.613720 0.078 Uiso 1 1 calc R . . . .
C06M C 0.3849(12) 0.6015(11) 0.7201(4) 0.063 Uani 1 1 d . U . . .
H3DA H 0.428974 0.624442 0.734582 0.076 Uiso 1 1 calc R . . . .
H5JA H 0.348982 0.565069 0.727830 0.076 Uiso 1 1 calc R . . . .
C06N C 0.5186(12) 0.3405(11) 0.9808(4) 0.061 Uani 1 1 d . U . . .
H4DA H 0.470540 0.334064 0.976063 0.073 Uiso 1 1 calc R . . . .
H6JA H 0.551620 0.388947 0.987928 0.073 Uiso 1 1 calc R . . . .
C06O C 0.1320(9) 0.0172(9) 0.7001(4) 0.048 Uani 1 1 d . U . . .
H5DA H 0.085146 -0.007392 0.686881 0.058 Uiso 1 1 calc R . . . .
C06P C 0.8048(11) 0.2996(11) 0.6090(4) 0.063 Uani 1 1 d . U . . .
H6DA H 0.815458 0.347440 0.611857 0.076 Uiso 1 1 calc R . . . .
H7JA H 0.802922 0.282736 0.627027 0.076 Uiso 1 1 calc R . . . .
C06Q C 0.1743(10) -0.1731(10) 0.6570(4) 0.053 Uani 1 1 d . U . . .
H7DA H 0.160817 -0.174683 0.674965 0.064 Uiso 1 1 calc R . . . .
C06R C 0.3479(11) 0.6377(11) 0.6526(4) 0.062 Uani 1 1 d . U . . .
H8DA H 0.330568 0.669783 0.647565 0.075 Uiso 1 1 calc R . . . .
H8JA H 0.352949 0.618950 0.635605 0.075 Uiso 1 1 calc R . . . .
C06S C 0.7118(14) 0.7813(12) 0.9012(5) 0.076 Uani 1 1 d . U . . .
H9DA H 0.730381 0.759983 0.915024 0.091 Uiso 1 1 calc R . . . .
H9JA H 0.660589 0.759672 0.899186 0.091 Uiso 1 1 calc R . . . .
C06T C 0.2152(10) -0.2162(10) 0.6561(4) 0.057 Uani 1 1 d . U . . .
H0EA H 0.258267 -0.196382 0.671075 0.069 Uiso 1 1 calc R . . . .
H0KA H 0.184827 -0.263841 0.658520 0.069 Uiso 1 1 calc R . . . .
C06U C 0.2662(11) 0.1266(10) 0.8464(4) 0.059 Uani 1 1 d . U . . .
H1EA H 0.287810 0.103343 0.838408 0.070 Uiso 1 1 calc R . . . .
H1KA H 0.225722 0.092167 0.852766 0.070 Uiso 1 1 calc R . . . .
C06V C 0.4435(10) -0.1675(10) 0.6387(4) 0.051 Uani 1 1 d . U . . .
H2EA H 0.423369 -0.217255 0.638198 0.062 Uiso 1 1 calc R . . . .
H2KA H 0.415881 -0.153350 0.647769 0.062 Uiso 1 1 calc R . . . .
C06W C 1.1068(11) 0.6593(11) 0.8501(4) 0.060 Uani 1 1 d . U . . .
H3EA H 1.114335 0.677220 0.869576 0.072 Uiso 1 1 calc R . . . .
C06X C 1.1558(11) 0.6174(11) 0.8049(4) 0.061 Uani 1 1 d . U . . .
H4EA H 1.146975 0.597930 0.785778 0.073 Uiso 1 1 calc R . . . .
H3KA H 1.204007 0.629228 0.814535 0.073 Uiso 1 1 calc R . . . .
C06Y C 0.1527(9) -0.0352(9) 0.7124(4) 0.050 Uani 1 1 d . U . . .
H5EA H 0.116788 -0.065745 0.721761 0.059 Uiso 1 1 calc R . . . .
H4KA H 0.154701 -0.063196 0.697450 0.059 Uiso 1 1 calc R . . . .
C06Z C 0.8530(10) 0.2532(9) 0.8187(4) 0.048 Uani 1 1 d . U . . .
H6EA H 0.806292 0.227042 0.805973 0.058 Uiso 1 1 calc R . . . .
H5KA H 0.878339 0.227341 0.818506 0.058 Uiso 1 1 calc R . . . .
C070 C 0.5213(10) -0.1310(9) 0.6554(4) 0.050 Uani 1 1 d . U . . .
H070 H 0.524192 -0.142762 0.674456 0.060 Uiso 1 1 calc R . . . .
C071 C 0.3978(11) 0.5487(10) 0.9469(4) 0.055 Uani 1 1 d . U . . .
H07A H 0.359724 0.540381 0.956153 0.066 Uiso 1 1 calc R . . . .
H07B H 0.442773 0.570029 0.960866 0.066 Uiso 1 1 calc R . . . .
C072 C 0.8313(10) 0.1644(10) 0.6894(4) 0.052 Uani 1 1 d . U . . .
H072 H 0.850340 0.159894 0.673441 0.062 Uiso 1 1 calc R . . . .
C073 C 0.3267(10) 0.5625(10) 0.9022(4) 0.054 Uani 1 1 d . U . . .
H07C H 0.328088 0.593985 0.888633 0.065 Uiso 1 1 calc R . . . .
H07D H 0.287994 0.553584 0.911105 0.065 Uiso 1 1 calc R . . . .
C074 C 0.0417(10) 0.2390(11) 0.6190(4) 0.057 Uani 1 1 d . U . . .
H07E H 0.061532 0.263992 0.604233 0.069 Uiso 1 1 calc R . . . .
H07F H -0.009759 0.211610 0.612039 0.069 Uiso 1 1 calc R . . . .
C075 C 0.5201(10) -0.0251(10) 0.7761(4) 0.052 Uani 1 1 d . U . . .
H07G H 0.553059 0.020872 0.786242 0.062 Uiso 1 1 calc R . . . .
H07H H 0.519381 -0.058633 0.788503 0.062 Uiso 1 1 calc R . . . .
C076 C 1.1014(11) 0.5643(11) 0.8197(4) 0.059 Uani 1 1 d . U . . .
H076 H 1.105666 0.522154 0.819660 0.071 Uiso 1 1 calc R . . . .
C077 C 0.6388(9) 0.8430(9) 0.7546(4) 0.046 Uani 1 1 d . U . . .
H077 H 0.604603 0.854301 0.760412 0.055 Uiso 1 1 calc R . . . .
C078 C 1.1611(11) 0.7142(11) 0.8371(4) 0.063 Uani 1 1 d . U . . .
H07I H 1.209070 0.726751 0.847384 0.075 Uiso 1 1 calc R . . . .
H07J H 1.155954 0.755300 0.837606 0.075 Uiso 1 1 calc R . . . .
C079 C 0.7909(11) 0.2717(11) 0.5491(5) 0.064 Uani 1 1 d . U . . .
H079 H 0.793359 0.287897 0.530773 0.077 Uiso 1 1 calc R . . . .
C07A C 0.0488(10) 0.2004(10) 0.6727(4) 0.057 Uani 1 1 d . U . . .
H07K H 0.024571 0.174393 0.686665 0.068 Uiso 1 1 calc R . . . .
C07B C 0.6199(12) 0.2883(11) 0.9852(4) 0.061 Uani 1 1 d . U . . .
H07L H 0.668636 0.295375 0.990470 0.073 Uiso 1 1 calc R . . . .
C07C C 0.4919(10) -0.1039(9) 0.7338(4) 0.049 Uani 1 1 d . U . . .
H07M H 0.485980 -0.140763 0.745061 0.059 Uiso 1 1 calc R . . . .
H07N H 0.510492 -0.110210 0.718285 0.059 Uiso 1 1 calc R . . . .
C07D C 0.0730(10) 0.1902(10) 0.6269(4) 0.055 Uani 1 1 d . U . . .
H07O H 0.062070 0.157941 0.610355 0.066 Uiso 1 1 calc R . . . .
C07E C 1.0196(11) 0.4568(11) 0.6618(4) 0.059 Uani 1 1 d . U . . .
H07P H 1.017044 0.426946 0.646082 0.071 Uiso 1 1 calc R . . . .
C07F C 0.7734(12) 0.1956(11) 0.5469(4) 0.065 Uani 1 1 d . U . . .
H07Q H 0.810746 0.191187 0.540703 0.079 Uiso 1 1 calc R . . . .
H07R H 0.728633 0.167268 0.533214 0.079 Uiso 1 1 calc R . . . .
C07G C 0.7586(10) 0.0974(10) 0.7217(4) 0.055 Uani 1 1 d . U . . .
H07S H 0.730779 0.051323 0.726943 0.066 Uiso 1 1 calc R . . . .
C07H C 0.3844(11) 0.2347(11) 0.8610(4) 0.060 Uani 1 1 d . U . . .
H07T H 0.420101 0.268996 0.876506 0.072 Uiso 1 1 calc R . . . .
H07U H 0.406325 0.212106 0.852695 0.072 Uiso 1 1 calc R . . . .
C07I C 0.2592(11) 0.2480(10) 0.8639(4) 0.058 Uani 1 1 d . U . . .
H07V H 0.234851 0.268510 0.872206 0.070 Uiso 1 1 calc R . . . .
C07J C 0.4194(10) -0.1092(10) 0.7225(4) 0.050 Uani 1 1 d . U . . .
H07W H 0.385343 -0.154284 0.711209 0.060 Uiso 1 1 calc R . . . .
C07K C 0.8630(12) 0.2976(11) 0.5996(5) 0.065 Uani 1 1 d . U . . .
H07X H 0.909320 0.326233 0.612744 0.078 Uiso 1 1 calc R . . . .
C07L C 0.0345(10) 0.1501(10) 0.6486(4) 0.057 Uani 1 1 d . U . . .
H07Y H -0.016480 0.123279 0.640476 0.069 Uiso 1 1 calc R . . . .
H6KA H 0.051651 0.118432 0.654770 0.069 Uiso 1 1 calc R . . . .
C07M C 0.4157(11) 0.0167(10) 0.5143(4) 0.056 Uani 1 1 d . U . . .
H07Z H 0.375951 -0.021379 0.519621 0.067 Uiso 1 1 calc R . . . .
H7KA H 0.459549 0.019015 0.524535 0.067 Uiso 1 1 calc R . . . .
C07N C 0.4086(10) 0.0034(10) 0.4828(4) 0.055 Uani 1 1 d . U . . .
H07 H 0.406483 -0.040735 0.477687 0.066 Uiso 1 1 calc R . . . .
C07O C 1.0660(11) 0.4935(11) 0.7129(4) 0.060 Uani 1 1 d . U . . .
H7EA H 1.091382 0.485951 0.730069 0.072 Uiso 1 1 calc R . . . .
C07P C 1.0149(10) 0.6109(11) 0.8046(4) 0.057 Uani 1 1 d . U . . .
C07Q C 0.1336(9) 0.2427(10) 0.6866(4) 0.051 Uani 1 1 d . U . . .
H8EA H 0.143768 0.274098 0.703081 0.062 Uiso 1 1 calc R . . . .
H8KA H 0.151477 0.211169 0.692019 0.062 Uiso 1 1 calc R . . . .
C07R C 0.5648(10) -0.1508(10) 0.6413(4) 0.052 Uani 1 1 d . U . . .
H9EA H 0.548087 -0.199879 0.641474 0.062 Uiso 1 1 calc R . . . .
H9KA H 0.614174 -0.125895 0.651910 0.062 Uiso 1 1 calc R . . . .
C07S C 0.4798(10) 0.1431(10) 0.5132(4) 0.054 Uani 1 1 d . U . . .
H0FA H 0.524097 0.145427 0.523000 0.065 Uiso 1 1 calc R . . . .
H0LA H 0.482023 0.186804 0.518384 0.065 Uiso 1 1 calc R . . . .
C07U C 0.8396(9) 0.4061(9) 0.9462(4) 0.068 Uani 1 1 d D U . . .
C07V C 0.3418(11) 0.0691(10) 0.4744(4) 0.056 Uani 1 1 d . U . . .
H1FA H 0.296944 0.066201 0.464441 0.067 Uiso 1 1 calc R . . . .
C07W C 0.9922(11) 0.4793(11) 0.7165(4) 0.059 Uani 1 1 d . U . . .
H2FA H 0.997859 0.510965 0.731956 0.071 Uiso 1 1 calc R . . . .
H1LA H 0.965577 0.432350 0.720504 0.071 Uiso 1 1 calc R . . . .
C07X C 0.5710(10) 0.3859(9) 0.5116(3) 0.049 Uani 1 1 d . U . . .
H3FA H 0.611869 0.392050 0.504261 0.058 Uiso 1 1 calc R . . . .
C07Y C 0.4102(12) 0.7077(11) 0.6976(5) 0.064 Uani 1 1 d . U . . .
H4FA H 0.456182 0.734168 0.710785 0.077 Uiso 1 1 calc R . . . .
H2LA H 0.392524 0.739204 0.691893 0.077 Uiso 1 1 calc R . . . .
C07Z C 0.7013(13) 0.8077(12) 0.8514(5) 0.074 Uani 1 1 d . U . . .
H5FA H 0.715823 0.803077 0.834425 0.089 Uiso 1 1 calc R . . . .
H3LA H 0.649575 0.786459 0.846934 0.089 Uiso 1 1 calc R . . . .
C080 C 0.3239(11) 0.5291(11) 0.6743(5) 0.063 Uani 1 1 d . U . . .
H08A H 0.289528 0.493759 0.682968 0.076 Uiso 1 1 calc R . . . .
H08B H 0.329403 0.506455 0.658568 0.076 Uiso 1 1 calc R . . . .
C081 C 0.5447(10) -0.0355(9) 0.7513(4) 0.050 Uani 1 1 d . U . . .
H081 H 0.591234 -0.033221 0.757320 0.060 Uiso 1 1 calc R . . . .
C082 C 0.8645(10) 0.2157(10) 0.7382(4) 0.055 Uani 1 1 d . U . . .
H082 H 0.904621 0.244342 0.754074 0.066 Uiso 1 1 calc R . . . .
C083 C 0.3214(11) 0.1814(11) 0.8715(4) 0.060 Uani 1 1 d . U . . .
H083 H 0.338653 0.158208 0.885143 0.072 Uiso 1 1 calc R . . . .
C084 C 0.5977(12) 0.3040(11) 1.0098(4) 0.064 Uani 1 1 d . U . . .
H08C H 0.601379 0.274820 1.023668 0.077 Uiso 1 1 calc R . . . .
H08D H 0.630774 0.351774 1.018001 0.077 Uiso 1 1 calc R . . . .
C085 C 0.3601(11) 0.6544(11) 0.7113(5) 0.064 Uani 1 1 d . U . . .
H085 H 0.354691 0.675977 0.727630 0.076 Uiso 1 1 calc R . . . .
C086 C 0.5971(13) 0.1620(12) 0.8463(5) 0.068 Uani 1 1 d . U . . .
H08E H 0.648054 0.190030 0.847902 0.082 Uiso 1 1 calc R . . . .
H08F H 0.572628 0.158871 0.827127 0.082 Uiso 1 1 calc R . . . .
C087 C 1.1476(11) 0.6830(11) 0.8054(4) 0.062 Uani 1 1 d . U . . .
H087 H 1.182393 0.717620 0.796355 0.074 Uiso 1 1 calc R . . . .
C088 C 1.0262(10) 0.5470(11) 0.8037(4) 0.059 Uani 1 1 d . U . . .
H08G H 0.991099 0.510826 0.811803 0.071 Uiso 1 1 calc R . . . .
H08H H 1.018520 0.529330 0.784381 0.071 Uiso 1 1 calc R . . . .
C089 C 1.0628(11) 0.5338(11) 0.6584(4) 0.062 Uani 1 1 d . U . . .
H08I H 1.110187 0.544174 0.656781 0.075 Uiso 1 1 calc R . . . .
H08J H 1.039492 0.542450 0.641198 0.075 Uiso 1 1 calc R . . . .
C08A C 0.1070(10) -0.2085(11) 0.6332(4) 0.059 Uani 1 1 d . U . . .
H08K H 0.077551 -0.255989 0.636028 0.071 Uiso 1 1 calc R . . . .
H08L H 0.079463 -0.184715 0.633209 0.071 Uiso 1 1 calc R . . . .
C08B C 0.1257(11) -0.2078(10) 0.6057(4) 0.057 Uani 1 1 d . U . . .
H08M H 0.081817 -0.229758 0.590739 0.069 Uiso 1 1 calc R . . . .
C08C C 0.6607(13) 0.6618(13) 0.9705(5) 0.074 Uani 1 1 d . U . . .
H08N H 0.618174 0.616692 0.967392 0.089 Uiso 1 1 calc R . . . .
H08O H 0.658845 0.683175 0.953576 0.089 Uiso 1 1 calc R . . . .
C08D C 0.2868(11) 0.2137(11) 0.8852(4) 0.062 Uani 1 1 d . U . . .
H08P H 0.321203 0.247666 0.901043 0.074 Uiso 1 1 calc R . . . .
H08Q H 0.247653 0.178522 0.891980 0.074 Uiso 1 1 calc R . . . .
C08E C 1.0589(11) 0.4473(11) 0.6893(4) 0.062 Uani 1 1 d . U . . .
H08R H 1.032851 0.399646 0.692667 0.074 Uiso 1 1 calc R . . . .
H08S H 1.106005 0.456663 0.687756 0.074 Uiso 1 1 calc R . . . .
C08F C 0.7850(10) 0.0922(10) 0.6968(4) 0.055 Uani 1 1 d . U . . .
H08T H 0.744792 0.065020 0.681114 0.066 Uiso 1 1 calc R . . . .
H08U H 0.813025 0.068806 0.700494 0.066 Uiso 1 1 calc R . . . .
C08G C 1.0691(11) 0.5793(12) 0.6817(4) 0.063 Uani 1 1 d . U . . .
H08V H 1.098617 0.627678 0.679287 0.076 Uiso 1 1 calc R . . . .
C08H C 0.5245(11) 0.2938(11) 1.0036(4) 0.062 Uani 1 1 d . U . . .
H08W H 0.513424 0.305976 1.020591 0.075 Uiso 1 1 calc R . . . .
C08I C 0.8633(12) 0.3167(12) 0.5707(5) 0.066 Uani 1 1 d . U . . .
H08X H 0.900392 0.312235 0.564394 0.080 Uiso 1 1 calc R . . . .
H08Y H 0.875095 0.364946 0.571318 0.080 Uiso 1 1 calc R . . . .
C08J C 0.9412(14) 0.6599(13) 0.9400(5) 0.080 Uani 1 1 d . U . . .
H08Z H 0.944931 0.618170 0.937849 0.096 Uiso 1 1 calc R . . . .
H4LA H 0.896258 0.647612 0.944819 0.096 Uiso 1 1 calc R . . . .
C08K C 0.4709(11) 0.1309(10) 0.4813(4) 0.055 Uani 1 1 d . U . . .
H08 H 0.511604 0.168892 0.476025 0.066 Uiso 1 1 calc R . . . .
C08L C 0.4153(8) 0.8189(7) 0.8188(3) 0.091 Uani 1 1 d D U . . .
H6FA H 0.405860 0.848281 0.806007 0.109 Uiso 1 1 calc R . . . .
C08M C 0.8183(10) 0.1439(10) 0.7457(4) 0.055 Uani 1 1 d . U . . .
H7FA H 0.847993 0.123090 0.751823 0.066 Uiso 1 1 calc R . . . .
H5LA H 0.798783 0.148736 0.761232 0.066 Uiso 1 1 calc R . . . .
C08N C 0.8113(13) 0.9148(13) 0.8659(5) 0.075 Uani 1 1 d . U . . .
H8FA H 0.833875 0.963689 0.872982 0.090 Uiso 1 1 calc R . . . .
H6LA H 0.820884 0.911160 0.847684 0.090 Uiso 1 1 calc R . . . .
C08O C 1.0071(14) 0.7160(13) 0.9647(5) 0.080 Uani 1 1 d . U . . .
H9FA H 1.007697 0.696629 0.982344 0.096 Uiso 1 1 calc R . . . .
C08P C 0.3941(10) -0.0984(10) 0.7492(4) 0.052 Uani 1 1 d . U . . .
H0GA H 0.348679 -0.099277 0.743283 0.062 Uiso 1 1 calc R . . . .
H7LA H 0.386602 -0.136550 0.759845 0.062 Uiso 1 1 calc R . . . .
C08Q C 0.1677(11) -0.2428(11) 0.6037(4) 0.060 Uani 1 1 d . U . . .
H1GA H 0.182577 -0.236409 0.586174 0.072 Uiso 1 1 calc R . . . .
H8LA H 0.138293 -0.292028 0.603875 0.072 Uiso 1 1 calc R . . . .
C08R C 0.6622(14) 0.7097(13) 0.9965(5) 0.075 Uani 1 1 d . U . . .
H2GA H 0.619338 0.714808 0.992871 0.090 Uiso 1 1 calc R . . . .
C08S C 1.0723(10) 0.6646(11) 0.7898(4) 0.060 Uani 1 1 d . U . . .
H3GA H 1.063228 0.644834 0.770656 0.072 Uiso 1 1 calc R . . . .
H9LA H 1.068165 0.706267 0.789358 0.072 Uiso 1 1 calc R . . . .
C08T C 0.8741(9) 0.3135(10) 0.9415(4) 0.071 Uani 1 1 d D U . . .
H4GA H 0.871470 0.277296 0.928664 0.085 Uiso 1 1 calc R . . . .
C08U C 0.7310(13) 0.6691(13) 1.0285(5) 0.074 Uani 1 1 d . U . . .
H5GA H 0.731875 0.648647 1.045927 0.089 Uiso 1 1 calc R . . . .
C08V C 0.8912(10) 0.2104(10) 0.7132(4) 0.055 Uani 1 1 d . U . . .
H6GA H 0.917042 0.256146 0.707883 0.066 Uiso 1 1 calc R . . . .
H0MA H 0.923974 0.192324 0.717669 0.066 Uiso 1 1 calc R . . . .
C08W C 0.7302(14) 0.6238(13) 1.0038(5) 0.074 Uani 1 1 d . U . . .
H7GA H 0.773501 0.620293 1.007981 0.089 Uiso 1 1 calc R . . . .
H1MA H 0.689849 0.577552 1.001722 0.089 Uiso 1 1 calc R . . . .
C08X C 0.7254(13) 0.7754(13) 0.9973(5) 0.077 Uani 1 1 d . U . . .
H8GA H 0.722456 0.789413 0.978772 0.093 Uiso 1 1 calc R . . . .
H2MA H 0.725974 0.810028 1.009963 0.093 Uiso 1 1 calc R . . . .
C08Y C 0.6108(13) 0.2024(12) 0.8960(5) 0.069 Uani 1 1 d . U . . .
H9GA H 0.595676 0.224223 0.908582 0.083 Uiso 1 1 calc R . . . .
H3MA H 0.662095 0.230197 0.898523 0.083 Uiso 1 1 calc R . . . .
C08Z C 0.3464(7) 0.7694(9) 0.8276(4) 0.092 Uani 1 1 d D U . . .
H0HA H 0.309395 0.740455 0.811220 0.110 Uiso 1 1 calc R . . . .
H4MA H 0.329531 0.795937 0.836775 0.110 Uiso 1 1 calc R . . . .
C090 C 0.4747(8) 0.8643(5) 0.8444(3) 0.092 Uani 1 1 d D U . . .
H09A H 0.460370 0.892867 0.853750 0.110 Uiso 1 1 calc R . . . .
H09B H 0.517727 0.894654 0.838471 0.110 Uiso 1 1 calc R . . . .
C091 C 0.7346(13) 0.8843(12) 0.8626(5) 0.074 Uani 1 1 d . U . . .
H091 H 0.716491 0.906674 0.848881 0.089 Uiso 1 1 calc R . . . .
C092 C 0.4953(12) 0.1529(11) 0.8626(5) 0.068 Uani 1 1 d . U . . .
H09C H 0.471469 0.151430 0.843567 0.081 Uiso 1 1 calc R . . . .
H09D H 0.479055 0.173647 0.875105 0.081 Uiso 1 1 calc R . . . .
C093 C 0.8663(14) 0.6166(13) 0.5940(5) 0.080 Uani 1 1 d . U . . .
H09E H 0.838271 0.639612 0.589241 0.096 Uiso 1 1 calc R . . . .
H09F H 0.888322 0.629831 0.613903 0.096 Uiso 1 1 calc R . . . .
C094 C 0.9645(14) 0.6077(13) 0.5872(5) 0.080 Uani 1 1 d . U . . .
H09G H 0.983471 0.617141 0.607284 0.096 Uiso 1 1 calc R . . . .
H09H H 1.004692 0.626582 0.578412 0.096 Uiso 1 1 calc R . . . .
C096 C 0.1581(15) 0.0756(12) 0.5105(5) 0.087 Uani 1 1 d D U . . .
H09I H 0.119034 0.050696 0.494206 0.105 Uiso 1 1 calc R . . . .
H09J H 0.202465 0.094091 0.504474 0.105 Uiso 1 1 calc R . . . .
C097 C 1.1054(11) 0.5631(11) 0.7087(4) 0.063 Uani 1 1 d . U . . .
H09K H 1.152807 0.572789 0.707403 0.076 Uiso 1 1 calc R . . . .
H09L H 1.110643 0.593223 0.724653 0.076 Uiso 1 1 calc R . . . .
C098 C 0.2883(12) 0.6130(11) 0.6906(5) 0.066 Uani 1 1 d . U . . .
H09M H 0.267987 0.642910 0.685643 0.079 Uiso 1 1 calc R . . . .
H09N H 0.255892 0.575953 0.699217 0.079 Uiso 1 1 calc R . . . .
C099 C 0.7907(14) 0.7742(14) 1.0059(5) 0.079 Uani 1 1 d . U . . .
H099 H 0.831941 0.820999 1.009354 0.095 Uiso 1 1 calc R . . . .
C09A C 0.8071(13) 0.8053(13) 0.8761(6) 0.079 Uani 1 1 d . U . . .
H09O H 0.828712 0.785339 0.889418 0.095 Uiso 1 1 calc R . . . .
H09P H 0.814600 0.796616 0.857970 0.095 Uiso 1 1 calc R . . . .
C09B C 0.3157(15) 0.4176(17) 0.5502(4) 0.100 Uani 1 1 d D U . . .
H09Q H 0.305527 0.370247 0.545997 0.120 Uiso 1 1 calc R . . . .
H09R H 0.364814 0.448256 0.549469 0.120 Uiso 1 1 calc R . . . .
C09C C 0.7464(14) 0.8593(13) 0.9114(5) 0.077 Uani 1 1 d . U . . .
H09S H 0.738216 0.866781 0.929726 0.093 Uiso 1 1 calc R . . . .
C09D C 0.8484(14) 0.5407(14) 0.5400(5) 0.081 Uani 1 1 d . U . . .
H09T H 0.828301 0.526681 0.519810 0.098 Uiso 1 1 calc R . . . .
C09E C 0.4973(12) 0.0481(12) 0.8494(5) 0.070 Uani 1 1 d . U . . .
H09U H 0.474951 0.049371 0.830536 0.084 Uiso 1 1 calc R . . . .
H09V H 0.481732 0.000012 0.851684 0.084 Uiso 1 1 calc R . . . .
C09F C 0.1743(15) 0.3890(14) 0.5586(5) 0.103 Uani 1 1 d D U . . .
H09W H 0.125394 0.354321 0.558899 0.123 Uiso 1 1 calc R . . . .
C09G C 0.9608(11) 0.4286(10) 0.9734(4) 0.074 Uani 1 1 d D U . . .
H09X H 1.011356 0.463271 0.980251 0.089 Uiso 1 1 calc R . . . .
C09H C 1.0746(13) 0.7404(14) 0.9572(5) 0.079 Uani 1 1 d . U . . .
H09Y H 1.083291 0.701735 0.954840 0.095 Uiso 1 1 calc R . . . .
H5MA H 1.112431 0.773971 0.972403 0.095 Uiso 1 1 calc R . . . .
C09I C 0.7960(14) 0.7219(13) 0.9809(5) 0.077 Uani 1 1 d . U . . .
H09Z H 0.800653 0.742257 0.963660 0.093 Uiso 1 1 calc R . . . .
H6MA H 0.836412 0.714604 0.987450 0.093 Uiso 1 1 calc R . . . .
C09J C 0.3395(11) 0.0038(11) 0.4674(4) 0.060 Uani 1 1 d . U . . .
H09 H 0.333584 -0.004418 0.447315 0.072 Uiso 1 1 calc R . . . .
H7MA H 0.298434 -0.033500 0.472316 0.072 Uiso 1 1 calc R . . . .
C09K C 0.2194(13) 0.0667(12) 0.5569(5) 0.085 Uani 1 1 d D U . . .
H1HA H 0.218520 0.036449 0.570906 0.102 Uiso 1 1 calc R . . . .
H8MA H 0.264163 0.083437 0.551247 0.102 Uiso 1 1 calc R . . . .
C09L C 0.5794(12) 0.0871(12) 0.8532(5) 0.068 Uani 1 1 d . U . . .
H2HA H 0.595377 0.064307 0.841202 0.082 Uiso 1 1 calc R . . . .
C09M C 1.0004(14) 0.8114(14) 0.9409(5) 0.081 Uani 1 1 d . U . . .
H3HA H 0.994451 0.852265 0.943166 0.097 Uiso 1 1 calc R . . . .
C09N C 0.2961(12) 0.5820(11) 0.6638(5) 0.064 Uani 1 1 d . U . . .
H4HA H 0.250067 0.557508 0.650112 0.077 Uiso 1 1 calc R . . . .
C09P C 1.1066(7) 0.9261(9) 0.8573(3) 0.097 Uani 1 1 d D U . . .
H5HA H 1.152561 0.968032 0.862772 0.117 Uiso 1 1 calc R . . . .
H9MA H 1.104903 0.894627 0.870802 0.117 Uiso 1 1 calc R . . . .
C09Q C 0.2284(12) 0.3758(15) 0.5792(6) 0.101 Uani 1 1 d D U . . .
H6HA H 0.220611 0.377898 0.597890 0.121 Uiso 1 1 calc R . . . .
H0NA H 0.220233 0.329677 0.573861 0.121 Uiso 1 1 calc R . . . .
C09R C 0.1515(10) 0.1356(12) 0.5231(4) 0.088 Uani 1 1 d D U . . .
H7HA H 0.151025 0.165837 0.508991 0.105 Uiso 1 1 calc R . . . .
C09T C 0.8907(14) 0.5098(14) 0.5506(5) 0.082 Uani 1 1 d . U . . .
H8HA H 0.897146 0.479700 0.539489 0.098 Uiso 1 1 calc R . . . .
C09U C 1.0975(7) 0.8923(8) 0.8280(3) 0.095 Uani 1 1 d D U . . .
H9HA H 1.135974 0.881193 0.828332 0.114 Uiso 1 1 calc R . . . .
C09V C 0.9523(10) 0.3685(10) 0.9537(4) 0.074 Uani 1 1 d D U . . .
H0IA H 0.974733 0.387042 0.938468 0.089 Uiso 1 1 calc R . . . .
H1NA H 0.977253 0.346667 0.963969 0.089 Uiso 1 1 calc R . . . .
C09X C 0.9926(14) 0.7746(14) 0.9669(5) 0.082 Uani 1 1 d . U . . .
H1IA H 1.025512 0.807494 0.983258 0.099 Uiso 1 1 calc R . . . .
H2NA H 0.944430 0.757466 0.969345 0.099 Uiso 1 1 calc R . . . .
C09Y C 0.9350(14) 0.7512(13) 0.9164(5) 0.081 Uani 1 1 d . U . . .
H2IA H 0.889857 0.737840 0.921227 0.098 Uiso 1 1 calc R . . . .
H3NA H 0.933938 0.770121 0.898818 0.098 Uiso 1 1 calc R . . . .
C09Z C 0.9204(14) 0.5284(13) 0.5782(5) 0.080 Uani 1 1 d . U . . .
H3IA H 0.950719 0.507437 0.584031 0.096 Uiso 1 1 calc R . . . .
C0A0 C 1.0401(8) 0.9598(7) 0.8059(3) 0.099 Uani 1 1 d D U . . .
H0A0 H 1.041673 0.991687 0.792287 0.118 Uiso 1 1 calc R . . . .
C0A1 C 0.4904(7) 0.8192(7) 0.8650(3) 0.092 Uani 1 1 d D U . . .
H0A1 H 0.527856 0.848355 0.881543 0.110 Uiso 1 1 calc R . . . .
C0A3 C 0.8277(13) 0.8908(13) 0.9131(5) 0.079 Uani 1 1 d . U . . .
H0AB H 0.851847 0.939710 0.920235 0.094 Uiso 1 1 calc R . . . .
H0AC H 0.846890 0.868539 0.926203 0.094 Uiso 1 1 calc R . . . .
C0A5 C 0.5109(12) 0.0857(12) 0.8982(5) 0.069 Uani 1 1 d . U . . .
H0AD H 0.495890 0.040570 0.904301 0.083 Uiso 1 1 calc R . . . .
H0AE H 0.496783 0.111032 0.909606 0.083 Uiso 1 1 calc R . . . .
C0A6 C 0.9184(9) 0.4611(10) 0.9579(5) 0.073 Uani 1 1 d D U . . .
H0AF H 0.939281 0.482615 0.942732 0.087 Uiso 1 1 calc R . . . .
H0AG H 0.921095 0.496904 0.970720 0.087 Uiso 1 1 calc R . . . .
C0A7 C 0.1568(10) 0.0250(12) 0.5313(4) 0.087 Uani 1 1 d D U . . .
H0A7 H 0.160637 -0.013216 0.522879 0.104 Uiso 1 1 calc R . . . .
C0A9 C 0.6644(14) 0.6746(13) 1.0192(5) 0.078 Uani 1 1 d . U . . .
H0AH H 0.623687 0.628211 1.014666 0.093 Uiso 1 1 calc R . . . .
H0AI H 0.658947 0.697690 1.034899 0.093 Uiso 1 1 calc R . . . .
C0AA C 0.8596(13) 0.5027(14) 0.5947(5) 0.080 Uani 1 1 d . U . . .
H0AJ H 0.829488 0.452934 0.589832 0.096 Uiso 1 1 calc R . . . .
H0AK H 0.881269 0.512091 0.614647 0.096 Uiso 1 1 calc R . . . .
C0AC C 0.4210(9) 0.7685(9) 0.8736(2) 0.092 Uani 1 1 d D U . . .
H0AL H 0.430490 0.738994 0.885920 0.111 Uiso 1 1 calc R . . . .
H0AM H 0.405194 0.794569 0.883655 0.111 Uiso 1 1 calc R . . . .
C0AD C 0.7941(14) 0.7347(13) 1.0305(5) 0.079 Uani 1 1 d . U . . .
H0AN H 0.834700 0.727167 1.032083 0.095 Uiso 1 1 calc R . . . .
H0AO H 0.802108 0.763245 1.047582 0.095 Uiso 1 1 calc R . . . .
C0AE C 0.4714(12) 0.2166(11) 0.9912(4) 0.064 Uani 1 1 d . U . . .
H0AP H 0.473788 0.186791 1.004939 0.076 Uiso 1 1 calc R . . . .
H0AQ H 0.422961 0.209159 0.986311 0.076 Uiso 1 1 calc R . . . .
C0AF C 0.5896(12) 0.1232(12) 0.9030(5) 0.069 Uani 1 1 d . U . . .
H0AR H 0.612616 0.123626 0.922306 0.083 Uiso 1 1 calc R . . . .
C0AG C 0.3216(15) 0.5042(13) 0.5859(6) 0.101 Uani 1 1 d D U . . .
H0AS H 0.320794 0.513917 0.605096 0.122 Uiso 1 1 calc R . . . .
H0AT H 0.368445 0.536328 0.583157 0.122 Uiso 1 1 calc R . . . .
C0AH C 0.3621(6) 0.7238(7) 0.8478(3) 0.092 Uani 1 1 d D U . . .
H0AU H 0.318538 0.692834 0.853729 0.110 Uiso 1 1 calc R . . . .
C0AJ C 0.9267(10) 0.4000(11) 0.9977(4) 0.076 Uani 1 1 d D U . . .
H0AV H 0.926710 0.436554 1.009004 0.091 Uiso 1 1 calc R . . . .
H0AW H 0.953764 0.382219 1.009467 0.091 Uiso 1 1 calc R . . . .
C0AK C 0.1882(13) 0.4618(12) 0.5686(6) 0.104 Uani 1 1 d D U . . .
H0AX H 0.153188 0.471487 0.557193 0.125 Uiso 1 1 calc R . . . .
H0AY H 0.185146 0.465388 0.587952 0.125 Uiso 1 1 calc R . . . .
C0AL C 0.7843(14) 0.5203(14) 0.5573(5) 0.084 Uani 1 1 d . U . . .
H0AZ H 0.759297 0.545856 0.551574 0.101 Uiso 1 1 calc R . . . .
H4NA H 0.750024 0.471288 0.552353 0.101 Uiso 1 1 calc R . . . .
C0AM C 0.8055(11) 0.3731(12) 0.9701(4) 0.072 Uani 1 1 d D U . . .
H0A H 0.756423 0.337033 0.962765 0.086 Uiso 1 1 calc R . . . .
H5NA H 0.805831 0.407735 0.982704 0.086 Uiso 1 1 calc R . . . .
C0AN C 0.2653(12) 0.4318(12) 0.5282(6) 0.103 Uani 1 1 d D U . . .
H4IA H 0.272460 0.426866 0.509382 0.123 Uiso 1 1 calc R . . . .
C0AO C 0.8500(10) 0.3420(9) 0.9859(4) 0.075 Uani 1 1 d D U . . .
H5IA H 0.829710 0.322411 1.001739 0.090 Uiso 1 1 calc R . . . .
C0AP C 0.6126(13) 0.0950(13) 0.8832(5) 0.071 Uani 1 1 d . U . . .
H6IA H 0.604355 0.049755 0.887694 0.085 Uiso 1 1 calc R . . . .
H6NA H 0.663838 0.124269 0.885901 0.085 Uiso 1 1 calc R . . . .
C0AT C 0.4731(13) 0.0762(12) 0.8687(5) 0.070 Uani 1 1 d . U . . .
H7IA H 0.421260 0.048427 0.866318 0.084 Uiso 1 1 calc R . . . .
C0AU C 1.0778(14) 0.7730(14) 0.9309(5) 0.082 Uani 1 1 d . U . . .
H8IA H 1.124542 0.789163 0.926613 0.099 Uiso 1 1 calc R . . . .
C0AV C 1.0139(13) 0.7156(14) 0.9056(5) 0.081 Uani 1 1 d . U . . .
H9IA H 1.013994 0.736091 0.888447 0.097 Uiso 1 1 calc R . . . .
H7NA H 1.022208 0.676855 0.902659 0.097 Uiso 1 1 calc R . . . .
C0AX C 0.9219(14) 0.6428(14) 0.5794(5) 0.084 Uani 1 1 d . U . . .
H0JA H 0.951414 0.693282 0.583651 0.101 Uiso 1 1 calc R . . . .
C0B1 C 0.1456(10) 0.0978(14) 0.5793(5) 0.089 Uani 1 1 d D U . . .
H0BB H 0.141837 0.135037 0.588258 0.107 Uiso 1 1 calc R . . . .
H0BC H 0.146088 0.067314 0.593081 0.107 Uiso 1 1 calc R . . . .
C0B2 C 1.0243(9) 0.8249(6) 0.8194(4) 0.096 Uani 1 1 d D U . . .
H0BD H 1.018460 0.803647 0.800868 0.115 Uiso 1 1 calc R . . . .
H0BE H 1.022189 0.792353 0.832436 0.115 Uiso 1 1 calc R . . . .
C0B3 C 0.8821(14) 0.6191(13) 0.5478(5) 0.083 Uani 1 1 d . U . . .
H0BF H 0.845084 0.632117 0.543850 0.100 Uiso 1 1 calc R . . . .
H0BG H 0.915657 0.642632 0.536336 0.100 Uiso 1 1 calc R . . . .
C0B4 C 0.0842(12) 0.1095(13) 0.5344(5) 0.088 Uani 1 1 d D U . . .
H0BH H 0.042371 0.087918 0.518904 0.106 Uiso 1 1 calc R . . . .
H0BI H 0.084431 0.148429 0.543986 0.106 Uiso 1 1 calc R . . . .
C0B5 C 0.2183(13) 0.1756(12) 0.5473(4) 0.089 Uani 1 1 d D U . . .
H0BJ H 0.261110 0.190122 0.540451 0.107 Uiso 1 1 calc R . . . .
H0BK H 0.219200 0.216712 0.555274 0.107 Uiso 1 1 calc R . . . .
C0B6 C 0.8434(14) 0.8821(13) 0.8849(5) 0.079 Uani 1 1 d . U . . .
H0B6 H 0.894964 0.903601 0.886392 0.095 Uiso 1 1 calc R . . . .
C0B8 C 0.1875(13) 0.3824(16) 0.5295(5) 0.103 Uani 1 1 d D U . . .
H0BL H 0.155647 0.392150 0.516019 0.124 Uiso 1 1 calc R . . . .
H0BM H 0.176163 0.335073 0.524192 0.124 Uiso 1 1 calc R . . . .
C0B9 C 0.5143(6) 0.7751(8) 0.8492(3) 0.089 Uani 1 1 d D U . . .
H0BN H 0.557475 0.805574 0.843344 0.107 Uiso 1 1 calc R . . . .
H0BO H 0.524968 0.746361 0.861684 0.107 Uiso 1 1 calc R . . . .
C0BA C 0.8397(13) 0.2819(10) 0.9656(4) 0.075 Uani 1 1 d D U . . .
H0BP H 0.862348 0.257321 0.975149 0.090 Uiso 1 1 calc R . . . .
H0BQ H 0.789219 0.249480 0.958466 0.090 Uiso 1 1 calc R . . . .
C0BH C 1.0635(14) 0.8280(14) 0.9338(6) 0.085 Uani 1 1 d . U . . .
H0BR H 1.102306 0.864244 0.947934 0.101 Uiso 1 1 calc R . . . .
H0BS H 1.063146 0.846897 0.916231 0.101 Uiso 1 1 calc R . . . .
C0BK C 0.4423(9) 0.7770(9) 0.8042(3) 0.091 Uani 1 1 d D U . . .
H0BT H 0.407269 0.749668 0.787100 0.109 Uiso 1 1 calc R . . . .
H0BU H 0.486497 0.808450 0.799227 0.109 Uiso 1 1 calc R . . . .
C0BN C 0.3861(8) 0.6798(6) 0.8325(4) 0.091 Uani 1 1 d D U . . .
H0BV H 0.394926 0.649920 0.844800 0.109 Uiso 1 1 calc R . . . .
H0BW H 0.348825 0.650963 0.816141 0.109 Uiso 1 1 calc R . . . .
C14 C 1.0481(9) 0.9933(6) 0.8353(4) 0.098 Uani 1 1 d D U . . .
H14A H 1.092966 1.036417 0.840622 0.117 Uiso 1 1 calc R . . . .
H14B H 1.009514 1.003503 0.834971 0.117 Uiso 1 1 calc R . . . .
C20 C 0.9670(7) 0.8917(9) 0.7978(3) 0.098 Uani 1 1 d D U . . .
H20A H 0.928462 0.902203 0.797190 0.118 Uiso 1 1 calc R . . . .
H20B H 0.960778 0.869983 0.779354 0.118 Uiso 1 1 calc R . . . .
C40 C 0.9731(8) 0.8755(9) 0.8489(3) 0.095 Uani 1 1 d D U . . .
H40A H 0.971756 0.843899 0.862356 0.115 Uiso 1 1 calc R . . . .
H40B H 0.934554 0.885505 0.849067 0.115 Uiso 1 1 calc R . . . .
C50 C 0.2774(18) 0.5047(14) 0.5366(5) 0.104 Uani 1 1 d D U . . .
H50A H 0.245762 0.513966 0.522719 0.125 Uiso 1 1 calc R . . . .
H50B H 0.326185 0.538657 0.536635 0.125 Uiso 1 1 calc R . . . .
C92 C 0.0894(13) -0.0017(12) 0.5424(5) 0.091 Uani 1 1 d D U . . .
H92A H 0.091405 -0.030329 0.556795 0.109 Uiso 1 1 calc R . . . .
H92B H 0.048124 -0.030538 0.527325 0.109 Uiso 1 1 calc R . . . .
C181 C 0.0798(13) 0.0568(11) 0.5548(4) 0.090 Uani 1 1 d D U . . .
H181 H 0.035297 0.038304 0.561143 0.108 Uiso 1 1 calc R . . . .
C65 C 1.1003(8) 0.9422(9) 0.8063(3) 0.097 Uani 1 1 d D U . . .
H65A H 1.146254 0.984262 0.811189 0.117 Uiso 1 1 calc R . . . .
H65B H 1.094566 0.920598 0.787920 0.117 Uiso 1 1 calc R . . . .
C112 C 1.0463(8) 0.9436(8) 0.8567(3) 0.100 Uani 1 1 d D U . . .
H112 H 1.052506 0.965664 0.875349 0.120 Uiso 1 1 calc R . . . .
Ag1 Ag 0.8261(5) 0.5230(5) 0.9050(2) 0.031 Uani 0.1 1 d . . P B 1
C124 C 0.2636(12) 0.5129(15) 0.5657(5) 0.104 Uani 1 1 d D U . . .
H124 H 0.272286 0.560220 0.569940 0.124 Uiso 1 1 calc R . . . .
Ag2A Ag 0.3059(7) 0.1421(10) 0.6393(3) 0.058 Uani 0.1 1 d . . P A 2
Ag3A Ag 0.7240(6) 0.3813(6) 0.8755(2) 0.033 Uani 0.1 1 d . U P B 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag01 Ag03 2.8495(14) . ?
Ag01 Ag05 2.8415(14) . ?
Ag01 Ag08 2.8162(14) . ?
Ag01 Ag0B 2.8597(14) . ?
Ag01 Ag0C 2.8133(14) . ?
Ag01 Ag0G 2.8132(14) . ?
Ag01 Ag0H 2.8520(15) . ?
Ag01 Ag0L 2.8108(14) . ?
Ag01 Br1G 2.8370(18) . ?
Ag01 Br1K 2.8956(18) . ?
Ag02 Ag03 2.7386(14) . ?
Ag02 Ag05 2.7013(14) . ?
Ag02 Ag08 2.8788(14) . ?
Ag02 Ag0G 2.8441(15) . ?
Ag02 Ag1C 2.9487(17) . ?
Ag02 Ag1F 3.0803(19) . ?
Ag02 Ag1I 2.5637(17) . ?
Ag03 Ag05 2.7634(15) . ?
Ag03 Ag0B 2.9480(14) . ?
Ag03 Ag0G 2.8327(16) . ?
Ag03 Ag19 2.9552(18) . ?
Ag03 Ag1C 2.7661(16) . ?
Ag03 Br1L 2.6589(19) . ?
Ag04 Br1L 2.8808(19) . ?
Ag04 S01P 2.610(4) . ?
Ag04 S01T 2.477(4) . ?
Ag04 S01U 2.448(4) . ?
Ag05 Ag08 2.8272(15) . ?
Ag05 Ag0H 2.9184(14) . ?
Ag05 Ag19 3.0760(18) . ?
Ag05 Ag1F 2.7647(17) . ?
Ag05 Br1M 2.6175(19) . ?
Ag06 Ag0R 3.3591(16) . ?
Ag06 Ag1C 2.9500(18) . ?
Ag06 S01O 2.418(3) . ?
Ag06 S01T 2.422(4) . ?
Ag06 Ag2A 3.131(16) . ?
Ag07 Ag0B 2.7072(14) . ?
Ag07 Ag0C 2.8674(15) . ?
Ag07 Ag0H 2.7260(14) . ?
Ag07 Ag0L 2.8652(16) . ?
Ag07 Ag1B 2.9687(18) . ?
Ag07 Ag1E 3.2336(19) . ?
Ag07 Ag1J 2.5594(17) . ?
Ag08 Ag0G 2.8268(15) . ?
Ag08 Br1K 2.7192(17) . ?
Ag08 S01R 2.595(3) . ?
Ag08 S01W 2.701(4) . ?
Ag09 Ag0E 3.2755(16) . ?
Ag09 Ag19 3.0395(18) . ?
Ag09 Ag1F 3.2555(19) . ?
Ag09 S01N 2.427(3) . ?
Ag09 S01S 2.416(4) . ?
Ag0A Ag0F 3.2975(16) . ?
Ag0A Ag0R 3.2112(17) . ?
Ag0A Ag19 3.2500(17) . ?
Ag0A Ag1C 3.1178(18) . ?
Ag0A S01N 2.424(4) . ?
Ag0A S01P 2.413(4) . ?
Ag0B Ag0C 2.8428(16) . ?
Ag0B Ag0H 2.7618(15) . ?
Ag0B Ag19 3.0939(18) . ?
Ag0B Ag1E 2.7937(18) . ?
Ag0B Br1L 2.6253(18) . ?
Ag0C Ag0L 2.8364(16) . ?
Ag0C Br1G 2.7280(18) . ?
Ag0C S01V 2.565(4) . ?
Ag0C S020 2.693(4) . ?
Ag0D Ag0K 3.1259(16) . ?
Ag0D Ag1E 2.9445(18) . ?
Ag0D Br1L 3.0560(19) . ?
Ag0D S01U 2.436(4) . ?
Ag0D S01V 2.439(4) . ?
Ag0E Ag15 3.2734(18) . ?
Ag0E Ag19 3.2369(18) . ?
Ag0E Ag1B 3.1394(18) . ?
Ag0E S01Q 2.430(4) . ?
Ag0E S01S 2.413(4) . ?
Ag0F Ag19 3.0289(18) . ?
Ag0F Ag1E 3.1331(19) . ?
Ag0F S01P 2.428(3) . ?
Ag0F S01Q 2.428(4) . ?
Ag0G Br1G 2.8118(18) . ?
Ag0G S01O 2.543(3) . ?
Ag0G S01W 2.860(4) . ?
Ag0H Ag0L 2.8364(16) . ?
Ag0H Ag0N 3.3375(16) . ?
Ag0H Ag19 2.9423(17) . ?
Ag0H Ag1B 2.7793(17) . ?
Ag0H Br1M 2.656(2) . ?
Ag0I Ag1C 3.0759(18) . ?
Ag0I Ag1F 2.9893(18) . ?
Ag0I S01N 2.431(4) . ?
Ag0I S01Y 2.417(4) . ?
Ag0J Ag0M 3.1036(17) . ?
Ag0J Ag0P 3.2111(18) . ?
Ag0J S01R 2.393(4) . ?
Ag0J S023 2.376(4) . ?
Ag0K Ag1J 3.231(2) . ?
Ag0K S01V 2.392(4) . ?
Ag0K S022 2.394(4) . ?
Ag0L Br1K 2.7932(19) . ?
Ag0L S01X 2.531(4) . ?
Ag0L S020 2.887(4) . ?
Ag0L Ag3A 3.028(10) . ?
Ag0M Ag1F 3.0245(18) . ?
Ag0M Br1M 3.058(2) . ?
Ag0M S01R 2.429(4) . ?
Ag0M S025 2.406(4) . ?
Ag0N Ag1B 2.9251(18) . ?
Ag0N S01X 2.412(4) . ?
Ag0N S028 2.426(4) . ?
Ag0O Ag1B 3.0770(18) . ?
Ag0O Ag1E 3.0685(19) . ?
Ag0O S01Q 2.406(4) . ?
Ag0O S021 2.400(4) . ?
Ag0P Ag0V 2.9575(18) . ?
Ag0P Ag1I 3.0269(19) . ?
Ag0P S01W 2.481(4) . ?
Ag0P S02D 2.448(4) . ?
Ag0Q Ag0Z 3.0285(17) . ?
Ag0Q S01U 2.374(4) . ?
Ag0Q S01Z 2.379(4) . ?
Ag0R Ag17 2.9073(19) . ?
Ag0R Ag1C 3.2214(18) . ?
Ag0R S01T 2.377(4) . ?
Ag0R S02C 2.376(4) . ?
Ag0S Br1M 2.875(2) . ?
Ag0S S01S 2.631(4) . ?
Ag0S S025 2.427(4) . ?
Ag0S S028 2.433(4) . ?
Ag0T Ag0X 3.0934(18) . ?
Ag0T Ag13 2.8335(17) . ?
Ag0T Ag1I 3.3336(19) . ?
Ag0T S024 2.409(4) . ?
Ag0T S02D 2.403(4) . ?
Ag0U Ag11 2.9762(18) . ?
Ag0U Ag1F 3.108(2) . ?
Ag0U S025 2.379(4) . ?
Ag0U S02F 2.391(5) . ?
Ag0V Ag0W 2.9443(18) . ?
Ag0V Ag1I 3.065(2) . ?
Ag0V S01W 2.410(4) . ?
Ag0V S026 2.395(4) . ?
Ag0W S01O 2.486(3) . ?
Ag0W S026 2.533(4) . ?
Ag0W S029 2.537(4) . ?
Ag0X S024 2.467(4) . ?
Ag0X S026 2.448(4) . ?
Ag0Y Ag10 2.9453(18) . ?
Ag0Y Ag16 3.064(2) . ?
Ag0Y Ag1J 3.070(2) . ?
Ag0Y S021 2.830(4) . ?
Ag0Y S022 2.442(4) . ?
Ag0Y S027 2.454(4) . ?
Ag0Z Ag1E 3.0825(19) . ?
Ag0Z S01Z 2.446(4) . ?
Ag0Z S021 2.946(4) . ?
Ag0Z S022 2.457(4) . ?
Ag10 Ag18 2.9685(19) . ?
Ag10 S027 2.404(5) . ?
Ag10 S02B 2.363(5) . ?
Ag11 Ag1F 3.2213(19) . ?
Ag11 S023 2.400(4) . ?
Ag11 S02F 2.396(5) . ?
Ag12 Ag1A 2.861(2) . ?
Ag12 Ag1J 3.099(2) . ?
Ag12 S020 2.460(4) . ?
Ag12 S02B 2.415(5) . ?
Ag13 Ag1D 3.131(2) . ?
Ag13 Ag1I 3.121(2) . ?
Ag13 S01Y 2.616(4) . ?
Ag13 S023 2.438(4) . ?
Ag13 S024 2.489(4) . ?
Ag14 Ag15 2.8578(19) . ?
Ag14 Ag16 2.900(2) . ?
Ag14 Ag1B 3.0582(19) . ?
Ag14 S02A 2.403(4) . ?
Ag14 S02E 2.399(4) . ?
Ag15 Ag1B 3.2839(19) . ?
Ag15 S028 2.365(5) . ?
Ag15 S02A 2.384(5) . ?
Ag16 Ag1J 2.895(2) . ?
Ag16 S021 2.423(4) . ?
Ag16 S02E 2.441(5) . ?
Ag17 Ag1C 3.1256(19) . ?
Ag17 Ag1D 2.864(2) . ?
Ag17 S029 2.387(4) . ?
Ag17 S02C 2.378(4) . ?
Ag18 S027 2.509(4) . ?
Ag18 S02G 2.420(5) . ?
Ag18 Ag1 3.092(10) . ?
Ag1A Ag1J 3.115(2) . ?
Ag1A S020 2.415(4) . ?
Ag1A S02G 2.380(5) . ?
Ag1A Ag1 3.087(11) . ?
Ag1D Ag1I 2.957(2) . ?
Ag1D S01Y 2.425(4) . ?
Ag1D S029 2.412(5) . ?
Ag1H S01X 2.502(4) . ?
Ag1H S02E 2.520(4) . ?
Ag1H S02G 2.538(5) . ?
Ag1H Ag3A 2.508(11) . ?
Ag1J Ag1 3.306(10) . ?
Ag1J Ag3A 3.225(10) . ?
S01N C02X 1.865(16) . ?
S01O C030 1.816(16) . ?
S01O Ag2A 2.273(12) . ?
S01P C02Y 1.835(18) . ?
S01Q C02P 1.840(16) . ?
S01R C02N 1.852(16) . ?
S01S C02M 1.821(17) . ?
S01T C02W 1.857(18) . ?
S01U C036 1.859(17) . ?
S01V C03T 1.849(19) . ?
S01W C02T 1.862(17) . ?
S01X C02Z 1.853(16) . ?
S01X Ag3A 2.497(10) . ?
S01Y C02O 1.852(15) . ?
S01Z C03I 1.851(11) . ?
S020 C044 1.86(2) . ?
S020 Ag3A 2.534(12) . ?
S021 C03D 1.84(2) . ?
S022 C02Q 1.865(18) . ?
S023 C03Y 1.821(19) . ?
S024 C04X 1.842(18) . ?
S025 C03L 1.81(2) . ?
S026 C035 1.830(19) . ?
S027 C03S 1.86(2) . ?
S028 C07P 1.80(2) . ?
S029 C047 1.85(2) . ?
S029 Ag2A 2.048(14) . ?
S02A C04I 1.827(11) . ?
S02B C03P 1.88(2) . ?
S02C C06F 1.82(3) . ?
S02D C04C 1.819(17) . ?
S02E C04M 1.83(3) . ?
S02E Ag1 2.417(11) . ?
S02F C04P 1.78(3) . ?
S02G C07U 1.83(2) . ?
S02G Ag1 1.900(11) . ?
S02G Ag3A 2.731(11) . ?
C02M C02V 1.51(2) . ?
C02M C037 1.57(2) . ?
C02M C04H 1.56(2) . ?
C02N C04D 1.51(2) . ?
C02N C04N 1.49(3) . ?
C02N C05J 1.55(3) . ?
C02O C03A 1.55(2) . ?
C02O C04T 1.51(2) . ?
C02O C067 1.52(2) . ?
C02P C03B 1.53(2) . ?
C02P C04G 1.53(2) . ?
C02P C054 1.52(2) . ?
C02Q C03C 1.54(2) . ?
C02Q C03H 1.51(2) . ?
C02Q C04A 1.45(3) . ?
C02R C02Z 1.54(2) . ?
C02R C045 1.57(2) . ?
C02S C030 1.56(2) . ?
C02S C039 1.53(2) . ?
C02T C04K 1.54(2) . ?
C02T C04Y 1.51(2) . ?
C02T C065 1.50(2) . ?
C02V C055 1.59(2) . ?
C02W C03Q 1.54(2) . ?
C02W C046 1.52(3) . ?
C02W C07Q 1.52(3) . ?
C02X C03N 1.50(2) . ?
C02X C03X 1.51(2) . ?
C02X C052 1.52(2) . ?
C02Y C059 1.46(3) . ?
C02Y C06M 1.49(3) . ?
C02Y C080 1.55(3) . ?
C02Z C03F 1.53(2) . ?
C02Z C05R 1.56(2) . ?
C030 C031 1.52(2) . ?
C030 C05I 1.51(2) . ?
C031 C03E 1.55(2) . ?
C033 C038 1.51(3) . ?
C033 C042 1.50(2) . ?
C034 C035 1.45(3) . ?
C034 C04R 1.58(3) . ?
C035 C03K 1.53(3) . ?
C035 C05U 1.55(3) . ?
C036 C04Q 1.53(3) . ?
C036 C057 1.49(2) . ?
C036 C05D 1.54(2) . ?
C037 C04S 1.54(2) . ?
C038 C03N 1.53(2) . ?
C038 C06A 1.52(2) . ?
C039 C03J 1.53(2) . ?
C039 C04V 1.53(2) . ?
C03A C053 1.56(2) . ?
C03B C05A 1.57(2) . ?
C03C C05P 1.51(3) . ?
C03D C06S 1.46(3) . ?
C03D C07Z 1.60(3) . ?
C03D C09A 1.53(3) . ?
C03E C03J 1.53(2) . ?
C03E C06Y 1.52(2) . ?
C03F C04E 1.56(2) . ?
C03G C04O 1.46(2) . ?
C03G C05Q 1.59(3) . ?
C03H C048 1.56(2) . ?
C03I C0B9 1.535(8) . ?
C03I C0BK 1.530(8) . ?
C03I C0BN 1.545(8) . ?
C03K C08B 1.62(3) . ?
C03L C05L 1.59(3) . ?
C03L C064 1.54(3) . ?
C03L C07W 1.57(3) . ?
C03M C03U 1.47(2) . ?
C03M C03X 1.56(2) . ?
C03M C06A 1.54(2) . ?
C03P C040 1.50(3) . ?
C03P C05B 1.53(3) . ?
C03P C06N 1.51(3) . ?
C03Q C07D 1.55(3) . ?
C03R C041 1.53(2) . ?
C03R C04G 1.54(2) . ?
C03R C05V 1.55(3) . ?
C03S C08C 1.48(3) . ?
C03S C08W 1.52(3) . ?
C03S C09I 1.54(3) . ?
C03T C04Z 1.49(3) . ?
C03T C05H 1.57(3) . ?
C03T C07H 1.51(3) . ?
C03U C042 1.49(2) . ?
C03V C043 1.51(2) . ?
C03V C055 1.51(2) . ?
C03W C059 1.59(3) . ?
C03W C06R 1.49(3) . ?
C03W C07Y 1.50(3) . ?
C03Y C05K 1.50(3) . ?
C03Y C06I 1.54(3) . ?
C03Y C06P 1.54(3) . ?
C03Z C06I 1.49(3) . ?
C03Z C06L 1.51(3) . ?
C03Z C07F 1.58(3) . ?
C040 C06D 1.55(3) . ?
C041 C05A 1.51(2) . ?
C042 C052 1.55(2) . ?
C043 C04H 1.54(2) . ?
C043 C05Y 1.47(2) . ?
C044 C086 1.54(3) . ?
C044 C08Y 1.50(3) . ?
C044 C092 1.48(3) . ?
C045 C04F 1.58(3) . ?
C045 C056 1.54(2) . ?
C046 C05T 1.55(3) . ?
C047 C09K 1.532(10) . ?
C047 C0B1 1.537(10) . ?
C047 C0B5 1.537(10) . ?
C048 C071 1.52(3) . ?
C048 C073 1.57(3) . ?
C049 C04T 1.58(2) . ?
C049 C04U 1.46(2) . ?
C049 C06E 1.54(3) . ?
C04A C06B 1.51(3) . ?
C04B C053 1.53(2) . ?
C04B C07X 1.50(2) . ?
C04C C04J 1.52(3) . ?
C04C C04W 1.50(2) . ?
C04C C05S 1.57(2) . ?
C04D C082 1.59(2) . ?
C04E C04F 1.52(2) . ?
C04E C06Z 1.52(2) . ?
C04I C0B2 1.535(8) . ?
C04I C20 1.530(8) . ?
C04I C40 1.551(8) . ?
C04J C05Z 1.55(2) . ?
C04K C081 1.54(2) . ?
C04L C05P 1.54(3) . ?
C04L C06B 1.58(2) . ?
C04M C08J 1.52(3) . ?
C04M C09Y 1.45(3) . ?
C04M C0AV 1.50(3) . ?
C04N C07G 1.55(2) . ?
C04O C04Q 1.55(2) . ?
C04O C05N 1.52(3) . ?
C04P C093 1.57(3) . ?
C04P C0AA 1.51(3) . ?
C04P C0AL 1.52(3) . ?
C04R C06T 1.50(3) . ?
C04R C08Q 1.53(3) . ?
C04S C05C 1.55(2) . ?
C04S C05Y 1.52(2) . ?
C04U C053 1.56(2) . ?
C04V C06O 1.56(2) . ?
C04W C06H 1.59(2) . ?
C04X C05M 1.51(3) . ?
C04X C07M 1.51(3) . ?
C04X C07S 1.53(3) . ?
C04Y C07J 1.50(2) . ?
C04Z C05G 1.48(3) . ?
C054 C077 1.56(2) . ?
C055 C05C 1.51(2) . ?
C056 C05E 1.58(2) . ?
C057 C05F 1.55(2) . ?
C058 C065 1.59(2) . ?
C058 C075 1.53(2) . ?
C058 C08P 1.46(3) . ?
C05A C06J 1.54(2) . ?
C05B C07B 1.53(3) . ?
C05D C05Q 1.58(2) . ?
C05E C05R 1.52(2) . ?
C05E C06Z 1.54(2) . ?
C05F C05N 1.49(3) . ?
C05F C06K 1.57(2) . ?
C05G C061 1.49(3) . ?
C05G C06U 1.48(3) . ?
C05H C07I 1.55(3) . ?
C05I C06O 1.55(2) . ?
C05J C072 1.54(2) . ?
C05K C079 1.57(3) . ?
C05L C08G 1.46(3) . ?
C05M C07V 1.52(3) . ?
C05O C06W 1.52(3) . ?
C05O C076 1.51(3) . ?
C05P C071 1.55(3) . ?
C05Q C06K 1.49(2) . ?
C05S C070 1.56(2) . ?
C05T C063 1.48(3) . ?
C05T C074 1.52(3) . ?
C05U C06Q 1.52(3) . ?
C05V C077 1.43(3) . ?
C05X C06W 1.55(3) . ?
C05X C07P 1.48(3) . ?
C05Z C066 1.60(3) . ?
C05Z C06V 1.51(2) . ?
C060 C07V 1.51(3) . ?
C060 C08K 1.51(3) . ?
C061 C07I 1.54(3) . ?
C062 C06D 1.47(3) . ?
C062 C07B 1.59(3) . ?
C063 C07A 1.45(3) . ?
C064 C07E 1.55(3) . ?
C066 C06H 1.46(3) . ?
C067 C07X 1.56(2) . ?
C068 C091 1.51(3) . ?
C068 C09C 1.54(3) . ?
C069 C07U 1.537(10) . ?
C069 C08T 1.546(10) . ?
C06B C073 1.58(3) . ?
C06D C0AE 1.50(3) . ?
C06E C07X 1.50(2) . ?
C06F C09B 1.538(10) . ?
C06F C09Q 1.537(10) . ?
C06F C0AG 1.545(10) . ?
C06G C07N 1.52(3) . ?
C06G C08K 1.52(3) . ?
C06H C07R 1.51(2) . ?
C06J C077 1.51(2) . ?
C06L C07K 1.66(3) . ?
C06M C085 1.55(3) . ?
C06N C08H 1.57(3) . ?
C06O C06Y 1.53(3) . ?
C06P C07K 1.46(3) . ?
C06Q C06T 1.59(3) . ?
C06Q C08A 1.53(3) . ?
C06R C09N 1.44(3) . ?
C06S C09C 1.54(3) . ?
C06U C083 1.55(3) . ?
C06V C070 1.53(3) . ?
C06W C078 1.50(3) . ?
C06X C076 1.54(3) . ?
C06X C087 1.55(3) . ?
C070 C07R 1.49(3) . ?
C072 C08F 1.53(3) . ?
C072 C08V 1.48(3) . ?
C074 C07D 1.55(3) . ?
C075 C081 1.48(3) . ?
C076 C088 1.54(3) . ?
C078 C087 1.60(3) . ?
C079 C07F 1.54(3) . ?
C079 C08I 1.56(3) . ?
C07A C07L 1.48(3) . ?
C07A C07Q 1.61(3) . ?
C07B C084 1.48(3) . ?
C07C C07J 1.52(2) . ?
C07C C081 1.50(3) . ?
C07D C07L 1.53(3) . ?
C07E C089 1.54(3) . ?
C07E C08E 1.53(3) . ?
C07G C08F 1.48(3) . ?
C07G C08M 1.49(3) . ?
C07H C083 1.53(3) . ?
C07I C08D 1.51(3) . ?
C07J C08P 1.58(2) . ?
C07K C08I 1.49(3) . ?
C07M C07N 1.53(3) . ?
C07N C09J 1.56(3) . ?
C07O C07W 1.54(3) . ?
C07O C08E 1.46(3) . ?
C07O C097 1.41(3) . ?
C07P C088 1.55(3) . ?
C07P C08S 1.58(3) . ?
C07S C08K 1.54(2) . ?
C07U C0A6 1.540(10) . ?
C07U C0AM 1.533(10) . ?
C07V C09J 1.45(3) . ?
C07Y C085 1.47(3) . ?
C07Z C091 1.53(3) . ?
C080 C09N 1.61(3) . ?
C082 C08M 1.53(3) . ?
C082 C08V 1.49(3) . ?
C083 C08D 1.49(3) . ?
C084 C08H 1.47(3) . ?
C085 C098 1.52(3) . ?
C086 C09L 1.58(3) . ?
C087 C08S 1.52(3) . ?
C089 C08G 1.45(3) . ?
C08A C08B 1.49(3) . ?
C08B C08Q 1.47(3) . ?
C08C C08R 1.63(3) . ?
C08G C097 1.55(3) . ?
C08H C0AE 1.56(3) . ?
C08J C08O 1.62(3) . ?
C08L C08Z 1.541(8) . ?
C08L C090 1.528(8) . ?
C08L C0BK 1.543(8) . ?
C08N C091 1.45(3) . ?
C08N C0B6 1.47(3) . ?
C08O C09H 1.44(3) . ?
C08O C09X 1.48(4) . ?
C08R C08X 1.45(3) . ?
C08R C0A9 1.38(3) . ?
C08T C09V 1.534(10) . ?
C08T C0BA 1.533(10) . ?
C08U C08W 1.55(3) . ?
C08U C0A9 1.50(3) . ?
C08U C0AD 1.44(3) . ?
C08X C099 1.42(3) . ?
C08Y C0AF 1.65(3) . ?
C08Z C0AH 1.543(9) . ?
C090 C0A1 1.544(8) . ?
C092 C0AT 1.59(3) . ?
C093 C0AX 1.42(4) . ?
C094 C09Z 1.55(3) . ?
C094 C0AX 1.48(4) . ?
C096 C09R 1.531(10) . ?
C096 C0A7 1.531(10) . ?
C098 C09N 1.54(3) . ?
C099 C09I 1.73(3) . ?
C099 C0AD 1.52(3) . ?
C09A C0B6 1.50(3) . ?
C09B C0AN 1.540(10) . ?
C09C C0A3 1.56(3) . ?
C09D C09T 1.42(4) . ?
C09D C0AL 1.67(4) . ?
C09D C0B3 1.53(4) . ?
C09E C09L 1.55(3) . ?
C09E C0AT 1.43(3) . ?
C09F C09Q 1.545(10) . ?
C09F C0AK 1.540(10) . ?
C09F C0B8 1.534(10) . ?
C09G C09V 1.538(10) . ?
C09G C0A6 1.533(10) . ?
C09G C0AJ 1.527(10) . ?
C09H C0AU 1.49(3) . ?
C09K C0A7 1.541(10) . ?
C09L C0AP 1.48(3) . ?
C09M C09X 1.53(3) . ?
C09M C09Y 1.65(3) . ?
C09M C0BH 1.37(4) . ?
C09P C09U 1.536(8) . ?
C09P C112 1.538(8) . ?
C09R C0B4 1.530(10) . ?
C09R C0B5 1.540(10) . ?
C09T C09Z 1.35(3) . ?
C09U C0B2 1.551(8) . ?
C09U C65 1.545(8) . ?
C09Z C0AA 1.58(3) . ?
C0A0 C14 1.544(8) . ?
C0A0 C20 1.555(8) . ?
C0A0 C65 1.540(8) . ?
C0A1 C0AC 1.549(8) . ?
C0A1 C0B9 1.562(8) . ?
C0A3 C0B6 1.52(3) . ?
C0A5 C0AF 1.48(3) . ?
C0A5 C0AT 1.48(3) . ?
C0A7 C92 1.526(10) . ?
C0AC C0AH 1.525(9) . ?
C0AF C0AP 1.43(3) . ?
C0AG C124 1.543(10) . ?
C0AH C0BN 1.548(9) . ?
C0AJ C0AO 1.527(10) . ?
C0AK C124 1.534(10) . ?
C0AM C0AO 1.548(10) . ?
C0AN C0B8 1.541(10) . ?
C0AN C50 1.537(10) . ?
C0AO C0BA 1.542(10) . ?
C0AU C0AV 1.63(3) . ?
C0AU C0BH 1.41(4) . ?
C0AX C0B3 1.56(3) . ?
C0B1 C181 1.542(10) . ?
C0B4 C181 1.537(10) . ?
C14 C112 1.536(8) . ?
C40 C112 1.556(8) . ?
C50 C124 1.545(10) . ?
C92 C181 1.536(10) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Ag03 Ag01 Ag0B 62.18(4) . . ?
Ag03 Ag01 Ag0H 87.13(4) . . ?
Ag03 Ag01 Br1K 146.55(5) . . ?
Ag05 Ag01 Ag03 58.10(4) . . ?
Ag05 Ag01 Ag0B 92.61(4) . . ?
Ag05 Ag01 Ag0H 61.67(4) . . ?
Ag05 Ag01 Br1K 96.84(5) . . ?
Ag08 Ag01 Ag03 90.01(4) . . ?
Ag08 Ag01 Ag05 59.96(4) . . ?
Ag08 Ag01 Ag0B 149.43(5) . . ?
Ag08 Ag01 Ag0H 111.93(5) . . ?
Ag08 Ag01 Br1G 100.04(5) . . ?
Ag08 Ag01 Br1K 56.84(4) . . ?
Ag0B Ag01 Br1K 147.78(5) . . ?
Ag0C Ag01 Ag03 112.85(4) . . ?
Ag0C Ag01 Ag05 149.02(5) . . ?
Ag0C Ag01 Ag08 149.78(5) . . ?
Ag0C Ag01 Ag0B 60.14(4) . . ?
Ag0C Ag01 Ag0G 113.27(5) . . ?
Ag0C Ag01 Ag0H 89.61(4) . . ?
Ag0C Ag01 Br1G 57.74(4) . . ?
Ag0C Ag01 Br1K 99.84(5) . . ?
Ag0G Ag01 Ag03 60.03(4) . . ?
Ag0G Ag01 Ag05 88.55(4) . . ?
Ag0G Ag01 Ag08 60.29(4) . . ?
Ag0G Ag01 Ag0B 109.72(4) . . ?
Ag0G Ag01 Ag0H 144.90(5) . . ?
Ag0G Ag01 Br1G 59.69(4) . . ?
Ag0G Ag01 Br1K 101.27(5) . . ?
Ag0H Ag01 Ag0B 57.83(4) . . ?
Ag0H Ag01 Br1K 100.43(5) . . ?
Ag0L Ag01 Ag03 145.49(5) . . ?
Ag0L Ag01 Ag05 108.42(5) . . ?
Ag0L Ag01 Ag08 111.10(5) . . ?
Ag0L Ag01 Ag0B 89.20(4) . . ?
Ag0L Ag01 Ag0C 60.57(4) . . ?
Ag0L Ag01 Ag0G 154.27(5) . . ?
Ag0L Ag01 Ag0H 60.11(4) . . ?
Ag0L Ag01 Br1G 101.70(5) . . ?
Ag0L Ag01 Br1K 58.59(4) . . ?
Br1G Ag01 Ag03 100.98(5) . . ?
Br1G Ag01 Ag05 148.24(5) . . ?
Br1G Ag01 Ag0B 97.73(5) . . ?
Br1G Ag01 Ag0H 147.07(5) . . ?
Br1G Ag01 Br1K 90.23(5) . . ?
Ag03 Ag02 Ag08 90.97(4) . . ?
Ag03 Ag02 Ag0G 60.95(4) . . ?
Ag03 Ag02 Ag1C 58.06(4) . . ?
Ag03 Ag02 Ag1F 97.87(5) . . ?
Ag05 Ag02 Ag03 61.06(4) . . ?
Ag05 Ag02 Ag08 60.78(4) . . ?
Ag05 Ag02 Ag0G 90.74(4) . . ?
Ag05 Ag02 Ag1C 99.34(5) . . ?
Ag05 Ag02 Ag1F 56.68(4) . . ?
Ag08 Ag02 Ag1C 149.03(5) . . ?
Ag08 Ag02 Ag1F 99.97(5) . . ?
Ag0G Ag02 Ag08 59.20(4) . . ?
Ag0G Ag02 Ag1C 100.81(5) . . ?
Ag0G Ag02 Ag1F 147.41(5) . . ?
Ag1C Ag02 Ag1F 85.39(5) . . ?
Ag1I Ag02 Ag03 148.78(6) . . ?
Ag1I Ag02 Ag05 149.90(6) . . ?
Ag1I Ag02 Ag08 108.75(5) . . ?
Ag1I Ag02 Ag0G 108.23(6) . . ?
Ag1I Ag02 Ag1C 99.72(5) . . ?
Ag1I Ag02 Ag1F 102.06(6) . . ?
Ag01 Ag03 Ag0B 59.08(3) . . ?
Ag01 Ag03 Ag19 94.54(4) . . ?
Ag02 Ag03 Ag01 90.57(4) . . ?
Ag02 Ag03 Ag05 58.81(4) . . ?
Ag02 Ag03 Ag0B 146.92(5) . . ?
Ag02 Ag03 Ag0G 61.37(4) . . ?
Ag02 Ag03 Ag19 111.06(5) . . ?
Ag02 Ag03 Ag1C 64.78(4) . . ?
Ag05 Ag03 Ag01 60.81(4) . . ?
Ag05 Ag03 Ag0B 92.34(4) . . ?
Ag05 Ag03 Ag0G 89.72(4) . . ?
Ag05 Ag03 Ag19 64.98(4) . . ?
Ag05 Ag03 Ag1C 102.42(5) . . ?
Ag0B Ag03 Ag19 63.22(4) . . ?
Ag0G Ag03 Ag01 59.35(4) . . ?
Ag0G Ag03 Ag0B 106.73(4) . . ?
Ag0G Ag03 Ag19 151.12(5) . . ?
Ag1C Ag03 Ag01 155.34(5) . . ?
Ag1C Ag03 Ag0B 144.22(5) . . ?
Ag1C Ag03 Ag0G 105.75(5) . . ?
Ag1C Ag03 Ag19 93.72(5) . . ?
Br1L Ag03 Ag01 94.87(5) . . ?
Br1L Ag03 Ag02 148.90(6) . . ?
Br1L Ag03 Ag05 147.64(6) . . ?
Br1L Ag03 Ag0B 55.55(4) . . ?
Br1L Ag03 Ag0G 95.58(6) . . ?
Br1L Ag03 Ag19 99.03(6) . . ?
Br1L Ag03 Ag1C 106.72(6) . . ?
S01P Ag04 Br1L 95.97(9) . . ?
S01T Ag04 Br1L 89.25(9) . . ?
S01T Ag04 S01P 96.04(12) . . ?
S01U Ag04 Br1L 95.98(10) . . ?
S01U Ag04 S01P 112.01(12) . . ?
S01U Ag04 S01T 150.65(14) . . ?
Ag01 Ag05 Ag0H 59.34(3) . . ?
Ag01 Ag05 Ag19 92.13(4) . . ?
Ag02 Ag05 Ag01 91.51(4) . . ?
Ag02 Ag05 Ag03 60.14(4) . . ?
Ag02 Ag05 Ag08 62.71(4) . . ?
Ag02 Ag05 Ag0H 145.17(5) . . ?
Ag02 Ag05 Ag19 108.56(5) . . ?
Ag02 Ag05 Ag1F 68.59(4) . . ?
Ag03 Ag05 Ag01 61.09(4) . . ?
Ag03 Ag05 Ag08 91.56(4) . . ?
Ag03 Ag05 Ag0H 87.47(4) . . ?
Ag03 Ag05 Ag19 60.53(4) . . ?
Ag03 Ag05 Ag1F 105.24(5) . . ?
Ag08 Ag05 Ag01 59.58(4) . . ?
Ag08 Ag05 Ag0H 109.67(4) . . ?
Ag08 Ag05 Ag19 148.53(5) . . ?
Ag0H Ag05 Ag19 58.72(4) . . ?
Ag1F Ag05 Ag01 160.04(5) . . ?
Ag1F Ag05 Ag08 109.46(5) . . ?
Ag1F Ag05 Ag0H 138.32(6) . . ?
Ag1F Ag05 Ag19 92.89(5) . . ?
Br1M Ag05 Ag01 96.44(5) . . ?
Br1M Ag05 Ag02 153.64(7) . . ?
Br1M Ag05 Ag03 144.50(6) . . ?
Br1M Ag05 Ag08 100.15(6) . . ?
Br1M Ag05 Ag0H 57.03(5) . . ?
Br1M Ag05 Ag19 96.25(6) . . ?
Br1M Ag05 Ag1F 102.19(6) . . ?
Ag1C Ag06 Ag0R 61.00(4) . . ?
Ag1C Ag06 Ag2A 80.0(3) . . ?
S01O Ag06 Ag0R 151.13(9) . . ?
S01O Ag06 Ag1C 97.40(9) . . ?
S01O Ag06 S01T 159.66(13) . . ?
S01O Ag06 Ag2A 46.2(3) . . ?
S01T Ag06 Ag0R 45.03(9) . . ?
S01T Ag06 Ag1C 102.74(10) . . ?
S01T Ag06 Ag2A 135.1(3) . . ?
Ag2A Ag06 Ag0R 107.6(3) . . ?
Ag0B Ag07 Ag0C 61.24(4) . . ?
Ag0B Ag07 Ag0H 61.10(4) . . ?
Ag0B Ag07 Ag0L 91.16(4) . . ?
Ag0B Ag07 Ag1B 97.91(5) . . ?
Ag0B Ag07 Ag1E 55.25(4) . . ?
Ag0C Ag07 Ag1B 149.22(5) . . ?
Ag0C Ag07 Ag1E 100.36(5) . . ?
Ag0H Ag07 Ag0C 91.05(4) . . ?
Ag0H Ag07 Ag0L 60.91(4) . . ?
Ag0H Ag07 Ag1B 58.24(4) . . ?
Ag0H Ag07 Ag1E 95.97(5) . . ?
Ag0L Ag07 Ag0C 59.31(4) . . ?
Ag0L Ag07 Ag1B 102.05(5) . . ?
Ag0L Ag07 Ag1E 146.32(5) . . ?
Ag1B Ag07 Ag1E 82.40(5) . . ?
Ag1J Ag07 Ag0B 148.28(6) . . ?
Ag1J Ag07 Ag0C 108.63(6) . . ?
Ag1J Ag07 Ag0H 150.12(6) . . ?
Ag1J Ag07 Ag0L 109.69(6) . . ?
Ag1J Ag07 Ag1B 100.59(6) . . ?
Ag1J Ag07 Ag1E 102.07(6) . . ?
Ag01 Ag08 Ag02 88.43(4) . . ?
Ag01 Ag08 Ag05 60.46(4) . . ?
Ag01 Ag08 Ag0G 59.80(4) . . ?
Ag05 Ag08 Ag02 56.50(3) . . ?
Ag0G Ag08 Ag02 59.79(4) . . ?
Ag0G Ag08 Ag05 88.57(4) . . ?
Br1K Ag08 Ag01 63.05(4) . . ?
Br1K Ag08 Ag02 151.01(6) . . ?
Br1K Ag08 Ag05 101.37(5) . . ?
Br1K Ag08 Ag0G 105.45(5) . . ?
S01R Ag08 Ag01 140.60(9) . . ?
S01R Ag08 Ag02 90.74(8) . . ?
S01R Ag08 Ag05 86.72(9) . . ?
S01R Ag08 Ag0G 146.79(9) . . ?
S01R Ag08 Br1K 107.70(9) . . ?
S01R Ag08 S01W 103.65(12) . . ?
S01W Ag08 Ag01 115.55(9) . . ?
S01W Ag08 Ag02 85.70(8) . . ?
S01W Ag08 Ag05 141.21(9) . . ?
S01W Ag08 Ag0G 62.28(9) . . ?
S01W Ag08 Br1K 110.37(9) . . ?
Ag19 Ag09 Ag0E 61.54(4) . . ?
Ag19 Ag09 Ag1F 84.56(5) . . ?
Ag1F Ag09 Ag0E 131.32(5) . . ?
S01N Ag09 Ag0E 125.18(9) . . ?
S01N Ag09 Ag19 90.19(9) . . ?
S01N Ag09 Ag1F 85.51(9) . . ?
S01S Ag09 Ag0E 47.26(9) . . ?
S01S Ag09 Ag19 97.00(9) . . ?
S01S Ag09 Ag1F 111.76(9) . . ?
S01S Ag09 S01N 161.77(13) . . ?
Ag0R Ag0A Ag0F 122.17(4) . . ?
Ag0R Ag0A Ag19 131.10(5) . . ?
Ag19 Ag0A Ag0F 55.11(4) . . ?
Ag1C Ag0A Ag0F 125.43(5) . . ?
Ag1C Ag0A Ag0R 61.17(4) . . ?
Ag1C Ag0A Ag19 81.95(4) . . ?
S01N Ag0A Ag0F 117.53(9) . . ?
S01N Ag0A Ag0R 120.26(9) . . ?
S01N Ag0A Ag19 85.41(9) . . ?
S01N Ag0A Ag1C 86.65(9) . . ?
S01P Ag0A Ag0F 47.26(8) . . ?
S01P Ag0A Ag0R 75.87(9) . . ?
S01P Ag0A Ag19 91.57(9) . . ?
S01P Ag0A Ag1C 112.21(9) . . ?
S01P Ag0A S01N 160.33(13) . . ?
Ag01 Ag0B Ag03 58.74(3) . . ?
Ag01 Ag0B Ag19 91.41(4) . . ?
Ag03 Ag0B Ag19 58.51(4) . . ?
Ag07 Ag0B Ag01 90.91(4) . . ?
Ag07 Ag0B Ag03 144.03(5) . . ?
Ag07 Ag0B Ag0C 62.16(4) . . ?
Ag07 Ag0B Ag0H 59.79(4) . . ?
Ag07 Ag0B Ag19 108.34(5) . . ?
Ag07 Ag0B Ag1E 71.99(5) . . ?
Ag0C Ag0B Ag01 59.12(4) . . ?
Ag0C Ag0B Ag03 109.11(5) . . ?
Ag0C Ag0B Ag19 147.18(5) . . ?
Ag0H Ag0B Ag01 60.94(4) . . ?
Ag0H Ag0B Ag03 86.91(4) . . ?
Ag0H Ag0B Ag0C 90.84(4) . . ?
Ag0H Ag0B Ag19 60.01(4) . . ?
Ag0H Ag0B Ag1E 106.14(5) . . ?
Ag1E Ag0B Ag01 162.65(5) . . ?
Ag1E Ag0B Ag03 135.73(5) . . ?
Ag1E Ag0B Ag0C 112.68(5) . . ?
Ag1E Ag0B Ag19 91.26(5) . . ?
Br1L Ag0B Ag01 95.36(5) . . ?
Br1L Ag0B Ag03 56.63(4) . . ?
Br1L Ag0B Ag07 154.34(6) . . ?
Br1L Ag0B Ag0C 100.22(6) . . ?
Br1L Ag0B Ag0H 143.54(6) . . ?
Br1L Ag0B Ag19 96.38(5) . . ?
Br1L Ag0B Ag1E 101.37(6) . . ?
Ag01 Ag0C Ag07 88.64(4) . . ?
Ag01 Ag0C Ag0B 60.74(4) . . ?
Ag01 Ag0C Ag0L 59.67(4) . . ?
Ag0B Ag0C Ag07 56.60(4) . . ?
Ag0L Ag0C Ag07 60.31(4) . . ?
Ag0L Ag0C Ag0B 89.03(4) . . ?
Br1G Ag0C Ag01 61.57(4) . . ?
Br1G Ag0C Ag07 149.81(5) . . ?
Br1G Ag0C Ag0B 100.72(5) . . ?
Br1G Ag0C Ag0L 103.82(5) . . ?
S01V Ag0C Ag01 138.67(10) . . ?
S01V Ag0C Ag07 89.38(9) . . ?
S01V Ag0C Ag0B 84.20(9) . . ?
S01V Ag0C Ag0L 146.83(10) . . ?
S01V Ag0C Br1G 109.35(10) . . ?
S01V Ag0C S020 105.66(12) . . ?
S020 Ag0C Ag01 115.46(10) . . ?
S020 Ag0C Ag07 87.17(9) . . ?
S020 Ag0C Ag0B 142.74(10) . . ?
S020 Ag0C Ag0L 62.87(9) . . ?
S020 Ag0C Br1G 109.10(10) . . ?
Ag1E Ag0D Ag0K 67.95(4) . . ?
Ag1E Ag0D Br1L 88.66(5) . . ?
Br1L Ag0D Ag0K 132.68(5) . . ?
S01U Ag0D Ag0K 129.93(10) . . ?
S01U Ag0D Ag1E 96.87(10) . . ?
S01U Ag0D Br1L 91.88(9) . . ?
S01U Ag0D S01V 162.83(13) . . ?
S01V Ag0D Ag0K 49.02(9) . . ?
S01V Ag0D Ag1E 97.41(10) . . ?
S01V Ag0D Br1L 97.94(10) . . ?
Ag15 Ag0E Ag09 120.19(5) . . ?
Ag19 Ag0E Ag09 55.64(4) . . ?
Ag19 Ag0E Ag15 129.02(5) . . ?
Ag1B Ag0E Ag09 124.58(5) . . ?
Ag1B Ag0E Ag15 61.56(4) . . ?
Ag1B Ag0E Ag19 80.56(4) . . ?
S01Q Ag0E Ag09 118.74(9) . . ?
S01Q Ag0E Ag15 121.04(9) . . ?
S01Q Ag0E Ag19 86.67(9) . . ?
S01Q Ag0E Ag1B 86.77(9) . . ?
S01S Ag0E Ag09 47.32(9) . . ?
S01S Ag0E Ag15 74.10(9) . . ?
S01S Ag0E Ag19 92.07(9) . . ?
S01S Ag0E Ag1B 112.03(9) . . ?
S01S Ag0E S01Q 160.71(13) . . ?
Ag19 Ag0F Ag0A 61.65(4) . . ?
Ag19 Ag0F Ag1E 86.28(5) . . ?
Ag1E Ag0F Ag0A 131.63(5) . . ?
S01P Ag0F Ag0A 46.88(8) . . ?
S01P Ag0F Ag19 96.82(9) . . ?
S01P Ag0F Ag1E 110.48(9) . . ?
S01P Ag0F S01Q 160.78(13) . . ?
S01Q Ag0F Ag0A 125.78(10) . . ?
S01Q Ag0F Ag19 91.56(9) . . ?
S01Q Ag0F Ag1E 87.24(9) . . ?
Ag01 Ag0G Ag02 89.19(4) . . ?
Ag01 Ag0G Ag03 60.62(4) . . ?
Ag01 Ag0G Ag08 59.91(4) . . ?
Ag01 Ag0G S01W 110.70(8) . . ?
Ag02 Ag0G S01W 83.45(8) . . ?
Ag03 Ag0G Ag02 57.69(4) . . ?
Ag03 Ag0G S01W 138.94(9) . . ?
Ag08 Ag0G Ag02 61.01(4) . . ?
Ag08 Ag0G Ag03 90.14(4) . . ?
Ag08 Ag0G S01W 56.69(8) . . ?
Br1G Ag0G Ag01 60.58(4) . . ?
Br1G Ag0G Ag02 149.75(6) . . ?
Br1G Ag0G Ag03 102.02(5) . . ?
Br1G Ag0G Ag08 100.39(5) . . ?
Br1G Ag0G S01W 106.93(9) . . ?
S01O Ag0G Ag01 144.14(9) . . ?
S01O Ag0G Ag02 91.20(8) . . ?
S01O Ag0G Ag03 89.79(9) . . ?
S01O Ag0G Ag08 146.45(9) . . ?
S01O Ag0G Br1G 112.41(9) . . ?
S01O Ag0G S01W 104.96(11) . . ?
Ag01 Ag0H Ag05 58.99(3) . . ?
Ag01 Ag0H Ag0N 130.88(5) . . ?
Ag01 Ag0H Ag19 94.77(5) . . ?
Ag05 Ag0H Ag0N 117.70(4) . . ?
Ag05 Ag0H Ag19 63.32(4) . . ?
Ag07 Ag0H Ag01 90.69(4) . . ?
Ag07 Ag0H Ag05 147.37(5) . . ?
Ag07 Ag0H Ag0B 59.11(4) . . ?
Ag07 Ag0H Ag0L 61.97(4) . . ?
Ag07 Ag0H Ag0N 90.58(4) . . ?
Ag07 Ag0H Ag19 112.29(5) . . ?
Ag07 Ag0H Ag1B 65.26(4) . . ?
Ag0B Ag0H Ag01 61.22(4) . . ?
Ag0B Ag0H Ag05 93.02(4) . . ?
Ag0B Ag0H Ag0L 90.66(5) . . ?
Ag0B Ag0H Ag0N 149.11(5) . . ?
Ag0B Ag0H Ag19 65.60(4) . . ?
Ag0B Ag0H Ag1B 101.28(5) . . ?
Ag0L Ag0H Ag01 59.22(4) . . ?
Ag0L Ag0H Ag05 105.63(5) . . ?
Ag0L Ag0H Ag0N 78.64(4) . . ?
Ag0L Ag0H Ag19 151.93(5) . . ?
Ag19 Ag0H Ag0N 129.42(5) . . ?
Ag1B Ag0H Ag01 155.79(5) . . ?
Ag1B Ag0H Ag05 143.34(6) . . ?
Ag1B Ag0H Ag0L 107.75(5) . . ?
Ag1B Ag0H Ag0N 56.25(4) . . ?
Ag1B Ag0H Ag19 92.16(5) . . ?
Br1M Ag0H Ag01 95.32(5) . . ?
Br1M Ag0H Ag05 55.77(5) . . ?
Br1M Ag0H Ag07 147.86(6) . . ?
Br1M Ag0H Ag0B 148.59(6) . . ?
Br1M Ag0H Ag0L 94.47(6) . . ?
Br1M Ag0H Ag0N 61.94(5) . . ?
Br1M Ag0H Ag19 98.66(6) . . ?
Br1M Ag0H Ag1B 106.53(6) . . ?
Ag1F Ag0I Ag1C 84.77(5) . . ?
S01N Ag0I Ag1C 87.47(9) . . ?
S01N Ag0I Ag1F 91.60(9) . . ?
S01Y Ag0I Ag1C 103.28(11) . . ?
S01Y Ag0I Ag1F 99.92(10) . . ?
S01Y Ag0I S01N 164.84(12) . . ?
Ag0M Ag0J Ag0P 117.83(5) . . ?
S01R Ag0J Ag0M 50.45(9) . . ?
S01R Ag0J Ag0P 68.35(9) . . ?
S023 Ag0J Ag0M 118.10(11) . . ?
S023 Ag0J Ag0P 123.92(11) . . ?
S023 Ag0J S01R 166.77(14) . . ?
Ag0D Ag0K Ag1J 128.82(5) . . ?
S01V Ag0K Ag0D 50.34(9) . . ?
S01V Ag0K Ag1J 105.54(10) . . ?
S01V Ag0K S022 161.71(14) . . ?
S022 Ag0K Ag0D 114.07(10) . . ?
S022 Ag0K Ag1J 91.98(11) . . ?
Ag01 Ag0L Ag07 88.73(4) . . ?
Ag01 Ag0L Ag0C 59.76(4) . . ?
Ag01 Ag0L Ag0H 60.66(4) . . ?
Ag01 Ag0L S020 109.62(9) . . ?
Ag01 Ag0L Ag3A 157.6(2) . . ?
Ag07 Ag0L S020 83.65(9) . . ?
Ag07 Ag0L Ag3A 79.3(2) . . ?
Ag0C Ag0L Ag07 60.38(4) . . ?
Ag0C Ag0L Ag0H 89.47(4) . . ?
Ag0C Ag0L S020 56.14(8) . . ?
Ag0C Ag0L Ag3A 97.88(19) . . ?
Ag0H Ag0L Ag07 57.12(4) . . ?
Ag0H Ag0L S020 138.33(9) . . ?
Ag0H Ag0L Ag3A 124.4(2) . . ?
Br1K Ag0L Ag01 62.22(4) . . ?
Br1K Ag0L Ag07 150.93(5) . . ?
Br1K Ag0L Ag0C 101.79(5) . . ?
Br1K Ag0L Ag0H 103.36(5) . . ?
Br1K Ag0L S020 106.03(9) . . ?
Br1K Ag0L Ag3A 128.2(2) . . ?
S01X Ag0L Ag01 147.38(10) . . ?
S01X Ag0L Ag07 90.28(9) . . ?
S01X Ag0L Ag0C 143.47(10) . . ?
S01X Ag0L Ag0H 91.90(10) . . ?
S01X Ag0L Br1K 113.33(10) . . ?
S01X Ag0L S020 102.66(12) . . ?
S01X Ag0L Ag3A 52.5(2) . . ?
S020 Ag0L Ag3A 50.7(2) . . ?
Ag1F Ag0M Ag0J 67.83(4) . . ?
Ag1F Ag0M Br1M 87.06(5) . . ?
Br1M Ag0M Ag0J 134.87(6) . . ?
S01R Ag0M Ag0J 49.44(9) . . ?
S01R Ag0M Ag1F 94.92(9) . . ?
S01R Ag0M Br1M 99.53(9) . . ?
S025 Ag0M Ag0J 128.26(11) . . ?
S025 Ag0M Ag1F 92.67(11) . . ?
S025 Ag0M Br1M 87.97(11) . . ?
S025 Ag0M S01R 169.58(14) . . ?
Ag1B Ag0N Ag0H 52.19(4) . . ?
S01X Ag0N Ag0H 82.75(9) . . ?
S01X Ag0N Ag1B 102.78(10) . . ?
S01X Ag0N S028 155.56(14) . . ?
S028 Ag0N Ag0H 115.29(10) . . ?
S028 Ag0N Ag1B 101.43(11) . . ?
Ag1E Ag0O Ag1B 83.45(5) . . ?
S01Q Ag0O Ag1B 88.63(9) . . ?
S01Q Ag0O Ag1E 89.12(10) . . ?
S021 Ag0O Ag1B 105.90(11) . . ?
S021 Ag0O Ag1E 98.06(11) . . ?
S021 Ag0O S01Q 164.38(14) . . ?
Ag0V Ag0P Ag0J 127.98(5) . . ?
Ag0V Ag0P Ag1I 61.61(5) . . ?
Ag1I Ag0P Ag0J 66.83(5) . . ?
S01W Ag0P Ag0J 124.54(10) . . ?
S01W Ag0P Ag0V 51.70(9) . . ?
S01W Ag0P Ag1I 90.37(9) . . ?
S02D Ag0P Ag0J 77.31(11) . . ?
S02D Ag0P Ag0V 117.61(11) . . ?
S02D Ag0P Ag1I 100.34(10) . . ?
S02D Ag0P S01W 158.14(14) . . ?
S01U Ag0Q Ag0Z 126.13(10) . . ?
S01U Ag0Q S01Z 169.58(14) . . ?
S01Z Ag0Q Ag0Z 52.11(10) . . ?
Ag0A Ag0R Ag06 95.23(4) . . ?
Ag0A Ag0R Ag1C 57.98(4) . . ?
Ag17 Ag0R Ag06 77.98(4) . . ?
Ag17 Ag0R Ag0A 106.28(5) . . ?
Ag17 Ag0R Ag1C 61.07(4) . . ?
Ag1C Ag0R Ag06 53.22(4) . . ?
S01T Ag0R Ag06 46.13(9) . . ?
S01T Ag0R Ag0A 109.87(9) . . ?
S01T Ag0R Ag17 114.18(10) . . ?
S01T Ag0R Ag1C 96.35(9) . . ?
S02C Ag0R Ag06 126.75(12) . . ?
S02C Ag0R Ag0A 83.19(11) . . ?
S02C Ag0R Ag17 52.34(11) . . ?
S02C Ag0R Ag1C 83.42(11) . . ?
S02C Ag0R S01T 164.54(15) . . ?
S01S Ag0S Br1M 97.98(9) . . ?
S025 Ag0S Br1M 91.89(11) . . ?
S025 Ag0S S01S 106.17(13) . . ?
S025 Ag0S S028 152.48(15) . . ?
S028 Ag0S Br1M 88.86(11) . . ?
S028 Ag0S S01S 100.96(14) . . ?
Ag0X Ag0T Ag1I 82.22(5) . . ?
Ag13 Ag0T Ag0X 102.35(5) . . ?
Ag13 Ag0T Ag1I 60.16(4) . . ?
S024 Ag0T Ag0X 51.45(10) . . ?
S024 Ag0T Ag13 55.98(10) . . ?
S024 Ag0T Ag1I 78.90(10) . . ?
S02D Ag0T Ag0X 128.26(11) . . ?
S02D Ag0T Ag13 119.79(12) . . ?
S02D Ag0T Ag1I 93.31(11) . . ?
S02D Ag0T S024 172.20(15) . . ?
Ag11 Ag0U Ag1F 63.89(4) . . ?
S025 Ag0U Ag11 126.54(11) . . ?
S025 Ag0U Ag1F 91.15(11) . . ?
S025 Ag0U S02F 169.54(16) . . ?
S02F Ag0U Ag11 51.62(12) . . ?
S02F Ag0U Ag1F 96.07(13) . . ?
Ag0P Ag0V Ag1I 60.31(4) . . ?
Ag0W Ag0V Ag0P 132.91(5) . . ?
Ag0W Ag0V Ag1I 72.81(5) . . ?
S01W Ag0V Ag0P 53.91(10) . . ?
S01W Ag0V Ag0W 126.99(10) . . ?
S01W Ag0V Ag1I 90.83(10) . . ?
S026 Ag0V Ag0P 129.06(12) . . ?
S026 Ag0V Ag0W 55.48(10) . . ?
S026 Ag0V Ag1I 94.63(11) . . ?
S026 Ag0V S01W 174.53(14) . . ?
S01O Ag0W Ag0V 85.40(9) . . ?
S01O Ag0W S026 130.97(12) . . ?
S01O Ag0W S029 113.81(14) . . ?
S026 Ag0W Ag0V 51.19(9) . . ?
S026 Ag0W S029 113.58(14) . . ?
S029 Ag0W Ag0V 135.87(12) . . ?
S024 Ag0X Ag0T 49.80(10) . . ?
S026 Ag0X Ag0T 108.60(10) . . ?
S026 Ag0X S024 126.31(13) . . ?
Ag10 Ag0Y Ag16 109.02(5) . . ?
Ag10 Ag0Y Ag1J 68.40(5) . . ?
Ag16 Ag0Y Ag1J 56.33(5) . . ?
S021 Ag0Y Ag10 154.98(10) . . ?
S021 Ag0Y Ag16 48.35(9) . . ?
S021 Ag0Y Ag1J 87.61(9) . . ?
S022 Ag0Y Ag10 103.63(11) . . ?
S022 Ag0Y Ag16 120.90(10) . . ?
S022 Ag0Y Ag1J 95.05(10) . . ?
S022 Ag0Y S021 84.81(13) . . ?
S022 Ag0Y S027 151.97(16) . . ?
S027 Ag0Y Ag10 51.90(11) . . ?
S027 Ag0Y Ag16 83.78(11) . . ?
S027 Ag0Y Ag1J 88.07(10) . . ?
S027 Ag0Y S021 123.18(14) . . ?
Ag0Q Ag0Z Ag1E 71.12(5) . . ?
S01Z Ag0Z Ag0Q 50.14(10) . . ?
S01Z Ag0Z Ag1E 99.07(11) . . ?
S01Z Ag0Z S021 120.31(14) . . ?
S01Z Ag0Z S022 153.81(15) . . ?
S021 Ag0Z Ag0Q 152.16(9) . . ?
S021 Ag0Z Ag1E 87.04(9) . . ?
S022 Ag0Z Ag0Q 116.06(11) . . ?
S022 Ag0Z Ag1E 95.24(10) . . ?
S022 Ag0Z S021 82.09(12) . . ?
Ag0Y Ag10 Ag18 100.74(6) . . ?
S027 Ag10 Ag0Y 53.47(10) . . ?
S027 Ag10 Ag18 54.46(10) . . ?
S02B Ag10 Ag0Y 121.49(12) . . ?
S02B Ag10 Ag18 128.82(12) . . ?
S02B Ag10 S027 174.82(15) . . ?
Ag0U Ag11 Ag1F 60.04(4) . . ?
S023 Ag11 Ag0U 123.45(10) . . ?
S023 Ag11 Ag1F 95.83(10) . . ?
S02F Ag11 Ag0U 51.49(11) . . ?
S02F Ag11 Ag1F 93.10(13) . . ?
S02F Ag11 S023 164.10(16) . . ?
Ag1A Ag12 Ag1J 62.86(5) . . ?
S020 Ag12 Ag1A 53.33(10) . . ?
S020 Ag12 Ag1J 91.51(10) . . ?
S02B Ag12 Ag1A 122.23(12) . . ?
S02B Ag12 Ag1J 100.59(12) . . ?
S02B Ag12 S020 162.80(15) . . ?
Ag0T Ag13 Ag1D 105.37(5) . . ?
Ag0T Ag13 Ag1I 67.89(5) . . ?
Ag1I Ag13 Ag1D 56.45(4) . . ?
S01Y Ag13 Ag0T 151.37(11) . . ?
S01Y Ag13 Ag1D 48.92(10) . . ?
S01Y Ag13 Ag1I 84.99(9) . . ?
S023 Ag13 Ag0T 95.91(11) . . ?
S023 Ag13 Ag1D 133.63(11) . . ?
S023 Ag13 Ag1I 97.14(10) . . ?
S023 Ag13 S01Y 96.42(14) . . ?
S023 Ag13 S024 147.30(15) . . ?
S024 Ag13 Ag0T 53.35(10) . . ?
S024 Ag13 Ag1D 72.61(10) . . ?
S024 Ag13 Ag1I 82.19(10) . . ?
S024 Ag13 S01Y 115.97(14) . . ?
Ag15 Ag14 Ag16 141.84(6) . . ?
Ag15 Ag14 Ag1B 67.33(5) . . ?
Ag16 Ag14 Ag1B 74.54(5) . . ?
S02A Ag14 Ag15 53.03(12) . . ?
S02A Ag14 Ag16 127.12(12) . . ?
S02A Ag14 Ag1B 89.59(11) . . ?
S02E Ag14 Ag15 130.59(13) . . ?
S02E Ag14 Ag16 53.87(12) . . ?
S02E Ag14 Ag1B 96.05(11) . . ?
S02E Ag14 S02A 174.23(16) . . ?
Ag0E Ag15 Ag1B 57.21(4) . . ?
Ag14 Ag15 Ag0E 102.53(5) . . ?
Ag14 Ag15 Ag1B 59.24(4) . . ?
S028 Ag15 Ag0E 111.17(11) . . ?
S028 Ag15 Ag14 111.93(11) . . ?
S028 Ag15 Ag1B 93.25(11) . . ?
S028 Ag15 S02A 163.98(15) . . ?
S02A Ag15 Ag0E 81.04(10) . . ?
S02A Ag15 Ag14 53.65(11) . . ?
S02A Ag15 Ag1B 84.70(11) . . ?
Ag14 Ag16 Ag0Y 165.79(6) . . ?
Ag1J Ag16 Ag0Y 61.93(5) . . ?
Ag1J Ag16 Ag14 128.31(6) . . ?
S021 Ag16 Ag0Y 60.76(10) . . ?
S021 Ag16 Ag14 105.62(11) . . ?
S021 Ag16 Ag1J 100.05(11) . . ?
S021 Ag16 S02E 156.47(16) . . ?
S02E Ag16 Ag0Y 139.93(12) . . ?
S02E Ag16 Ag14 52.54(11) . . ?
S02E Ag16 Ag1J 101.25(11) . . ?
Ag0R Ag17 Ag1C 64.43(4) . . ?
Ag1D Ag17 Ag0R 142.96(6) . . ?
Ag1D Ag17 Ag1C 78.67(5) . . ?
S029 Ag17 Ag0R 130.47(12) . . ?
S029 Ag17 Ag1C 96.22(10) . . ?
S029 Ag17 Ag1D 53.75(12) . . ?
S02C Ag17 Ag0R 52.27(11) . . ?
S02C Ag17 Ag1C 85.54(11) . . ?
S02C Ag17 Ag1D 124.75(12) . . ?
S02C Ag17 S029 177.22(16) . . ?
Ag10 Ag18 Ag1 101.75(19) . . ?
S027 Ag18 Ag10 51.22(11) . . ?
S027 Ag18 Ag1 94.3(2) . . ?
S02G Ag18 Ag10 103.72(12) . . ?
S02G Ag18 S027 125.55(14) . . ?
S02G Ag18 Ag1 37.9(2) . . ?
Ag03 Ag19 Ag05 54.50(4) . . ?
Ag03 Ag19 Ag09 119.38(5) . . ?
Ag03 Ag19 Ag0A 83.22(4) . . ?
Ag03 Ag19 Ag0B 58.28(4) . . ?
Ag03 Ag19 Ag0E 168.44(6) . . ?
Ag03 Ag19 Ag0F 113.33(5) . . ?
Ag05 Ag19 Ag0A 116.06(5) . . ?
Ag05 Ag19 Ag0B 83.84(4) . . ?
Ag05 Ag19 Ag0E 116.17(5) . . ?
Ag09 Ag19 Ag05 85.71(5) . . ?
Ag09 Ag19 Ag0A 75.73(4) . . ?
Ag09 Ag19 Ag0B 167.85(6) . . ?
Ag09 Ag19 Ag0E 62.82(4) . . ?
Ag0B Ag19 Ag0A 114.57(5) . . ?
Ag0B Ag19 Ag0E 116.87(5) . . ?
Ag0E Ag19 Ag0A 108.04(5) . . ?
Ag0F Ag19 Ag05 166.79(6) . . ?
Ag0F Ag19 Ag09 106.28(5) . . ?
Ag0F Ag19 Ag0A 63.24(4) . . ?
Ag0F Ag19 Ag0B 84.78(5) . . ?
Ag0F Ag19 Ag0E 75.15(4) . . ?
Ag0H Ag19 Ag03 83.56(4) . . ?
Ag0H Ag19 Ag05 57.96(4) . . ?
Ag0H Ag19 Ag09 114.37(5) . . ?
Ag0H Ag19 Ag0A 166.25(6) . . ?
Ag0H Ag19 Ag0B 54.39(4) . . ?
Ag0H Ag19 Ag0E 85.35(4) . . ?
Ag0H Ag19 Ag0F 119.33(5) . . ?
Ag12 Ag1A Ag1J 62.31(5) . . ?
Ag12 Ag1A Ag1 120.78(19) . . ?
S020 Ag1A Ag12 54.80(11) . . ?
S020 Ag1A Ag1J 92.00(10) . . ?
S020 Ag1A Ag1 148.9(2) . . ?
S02G Ag1A Ag12 119.68(13) . . ?
S02G Ag1A Ag1J 89.97(12) . . ?
S02G Ag1A S020 171.73(17) . . ?
S02G Ag1A Ag1 38.0(2) . . ?
Ag1 Ag1A Ag1J 64.43(18) . . ?
Ag07 Ag1B Ag0E 130.44(5) . . ?
Ag07 Ag1B Ag0O 92.47(5) . . ?
Ag07 Ag1B Ag14 125.17(6) . . ?
Ag07 Ag1B Ag15 161.94(6) . . ?
Ag0E Ag1B Ag15 61.23(4) . . ?
Ag0H Ag1B Ag07 56.51(4) . . ?
Ag0H Ag1B Ag0E 90.04(5) . . ?
Ag0H Ag1B Ag0N 71.56(5) . . ?
Ag0H Ag1B Ag0O 123.66(6) . . ?
Ag0H Ag1B Ag14 153.89(6) . . ?
Ag0H Ag1B Ag15 115.67(6) . . ?
Ag0N Ag1B Ag07 94.57(5) . . ?
Ag0N Ag1B Ag0E 109.16(5) . . ?
Ag0N Ag1B Ag0O 164.45(6) . . ?
Ag0N Ag1B Ag14 82.46(5) . . ?
Ag0N Ag1B Ag15 67.44(4) . . ?
Ag0O Ag1B Ag0E 76.12(4) . . ?
Ag0O Ag1B Ag15 104.60(5) . . ?
Ag14 Ag1B Ag0E 101.21(5) . . ?
Ag14 Ag1B Ag0O 82.16(5) . . ?
Ag14 Ag1B Ag15 53.42(4) . . ?
Ag02 Ag1C Ag06 99.01(5) . . ?
Ag02 Ag1C Ag0A 128.92(5) . . ?
Ag02 Ag1C Ag0I 88.64(5) . . ?
Ag02 Ag1C Ag0R 164.70(6) . . ?
Ag02 Ag1C Ag17 124.13(6) . . ?
Ag03 Ag1C Ag02 57.16(4) . . ?
Ag03 Ag1C Ag06 72.97(5) . . ?
Ag03 Ag1C Ag0A 88.86(5) . . ?
Ag03 Ag1C Ag0I 121.09(6) . . ?
Ag03 Ag1C Ag0R 116.30(5) . . ?
Ag03 Ag1C Ag17 153.73(6) . . ?
Ag06 Ag1C Ag0A 106.22(5) . . ?
Ag06 Ag1C Ag0I 165.84(6) . . ?
Ag06 Ag1C Ag0R 65.78(4) . . ?
Ag06 Ag1C Ag17 81.26(5) . . ?
Ag0A Ag1C Ag0R 60.84(4) . . ?
Ag0A Ag1C Ag17 103.38(5) . . ?
Ag0I Ag1C Ag0A 77.38(4) . . ?
Ag0I Ag1C Ag0R 105.90(5) . . ?
Ag0I Ag1C Ag17 84.58(5) . . ?
Ag17 Ag1C Ag0R 54.50(4) . . ?
Ag17 Ag1D Ag13 158.93(7) . . ?
Ag17 Ag1D Ag1I 124.34(7) . . ?
Ag1I Ag1D Ag13 61.61(5) . . ?
S01Y Ag1D Ag13 54.39(10) . . ?
S01Y Ag1D Ag17 104.57(11) . . ?
S01Y Ag1D Ag1I 92.13(10) . . ?
S029 Ag1D Ag13 148.03(12) . . ?
S029 Ag1D Ag17 52.96(11) . . ?
S029 Ag1D Ag1I 100.33(11) . . ?
S029 Ag1D S01Y 157.50(16) . . ?
Ag0B Ag1E Ag07 52.77(4) . . ?
Ag0B Ag1E Ag0D 72.20(5) . . ?
Ag0B Ag1E Ag0F 88.10(5) . . ?
Ag0B Ag1E Ag0O 121.13(6) . . ?
Ag0B Ag1E Ag0Z 164.02(7) . . ?
Ag0D Ag1E Ag07 96.90(5) . . ?
Ag0D Ag1E Ag0F 112.29(5) . . ?
Ag0D Ag1E Ag0O 165.04(6) . . ?
Ag0D Ag1E Ag0Z 98.41(5) . . ?
Ag0F Ag1E Ag07 120.89(5) . . ?
Ag0O Ag1E Ag07 87.68(5) . . ?
Ag0O Ag1E Ag0F 76.80(4) . . ?
Ag0O Ag1E Ag0Z 67.00(5) . . ?
Ag0Z Ag1E Ag07 117.76(5) . . ?
Ag0Z Ag1E Ag0F 107.62(5) . . ?
Ag02 Ag1F Ag09 121.20(5) . . ?
Ag02 Ag1F Ag0U 167.77(6) . . ?
Ag02 Ag1F Ag11 119.01(5) . . ?
Ag05 Ag1F Ag02 54.73(4) . . ?
Ag05 Ag1F Ag09 87.00(5) . . ?
Ag05 Ag1F Ag0I 121.62(6) . . ?
Ag05 Ag1F Ag0M 73.15(5) . . ?
Ag05 Ag1F Ag0U 126.49(6) . . ?
Ag05 Ag1F Ag11 164.35(7) . . ?
Ag0I Ag1F Ag02 87.82(5) . . ?
Ag0I Ag1F Ag09 76.05(4) . . ?
Ag0I Ag1F Ag0M 164.78(6) . . ?
Ag0I Ag1F Ag0U 99.62(5) . . ?
Ag0I Ag1F Ag11 69.42(4) . . ?
Ag0M Ag1F Ag02 99.57(5) . . ?
Ag0M Ag1F Ag09 110.50(5) . . ?
Ag0M Ag1F Ag0U 71.01(4) . . ?
Ag0M Ag1F Ag11 95.38(5) . . ?
Ag0U Ag1F Ag09 70.36(4) . . ?
Ag0U Ag1F Ag11 56.06(4) . . ?
Ag11 Ag1F Ag09 107.31(5) . . ?
Ag0C Br1G Ag01 60.70(4) . . ?
Ag0C Br1G Ag0G 116.03(6) . . ?
Ag0G Br1G Ag01 59.73(4) . . ?
S01X Ag1H S02E 119.09(15) . . ?
S01X Ag1H S02G 121.87(15) . . ?
S01X Ag1H Ag3A 59.8(2) . . ?
S02E Ag1H S02G 116.54(16) . . ?
Ag3A Ag1H S02E 144.8(3) . . ?
Ag3A Ag1H S02G 65.5(2) . . ?
Ag02 Ag1I Ag0P 90.71(5) . . ?
Ag02 Ag1I Ag0T 151.78(7) . . ?
Ag02 Ag1I Ag0V 96.57(6) . . ?
Ag02 Ag1I Ag13 125.05(7) . . ?
Ag02 Ag1I Ag1D 103.69(6) . . ?
Ag0P Ag1I Ag0T 67.68(4) . . ?
Ag0P Ag1I Ag0V 58.08(4) . . ?
Ag0P Ag1I Ag13 107.56(6) . . ?
Ag0V Ag1I Ag0T 87.34(5) . . ?
Ag0V Ag1I Ag13 137.34(6) . . ?
Ag13 Ag1I Ag0T 51.95(4) . . ?
Ag1D Ag1I Ag0P 165.35(7) . . ?
Ag1D Ag1I Ag0T 97.81(6) . . ?
Ag1D Ag1I Ag0V 121.55(6) . . ?
Ag1D Ag1I Ag13 61.94(5) . . ?
Ag07 Ag1J Ag0K 77.21(5) . . ?
Ag07 Ag1J Ag0Y 128.18(7) . . ?
Ag07 Ag1J Ag12 94.02(6) . . ?
Ag07 Ag1J Ag16 99.00(6) . . ?
Ag07 Ag1J Ag1A 92.96(6) . . ?
Ag07 Ag1J Ag1 111.75(18) . . ?
Ag07 Ag1J Ag3A 80.27(18) . . ?
Ag0K Ag1J Ag1 170.15(18) . . ?
Ag0Y Ag1J Ag0K 71.44(5) . . ?
Ag0Y Ag1J Ag12 109.28(6) . . ?
Ag0Y Ag1J Ag1A 138.41(6) . . ?
Ag0Y Ag1J Ag1 104.31(18) . . ?
Ag0Y Ag1J Ag3A 151.24(19) . . ?
Ag12 Ag1J Ag0K 66.57(5) . . ?
Ag12 Ag1J Ag1A 54.83(5) . . ?
Ag12 Ag1J Ag1 107.68(18) . . ?
Ag12 Ag1J Ag3A 67.34(19) . . ?
Ag16 Ag1J Ag0K 115.78(6) . . ?
Ag16 Ag1J Ag0Y 61.75(5) . . ?
Ag16 Ag1J Ag12 166.97(7) . . ?
Ag16 Ag1J Ag1A 124.52(7) . . ?
Ag16 Ag1J Ag1 67.93(18) . . ?
Ag16 Ag1J Ag3A 115.4(2) . . ?
Ag1A Ag1J Ag0K 119.70(6) . . ?
Ag1A Ag1J Ag1 57.38(18) . . ?
Ag3A Ag1J Ag0K 126.4(2) . . ?
Ag08 Br1K Ag01 60.11(4) . . ?
Ag08 Br1K Ag0L 114.65(6) . . ?
Ag0L Br1K Ag01 59.19(4) . . ?
Ag03 Br1L Ag04 122.36(7) . . ?
Ag03 Br1L Ag0D 140.32(7) . . ?
Ag04 Br1L Ag0D 75.52(5) . . ?
Ag0B Br1L Ag03 67.82(5) . . ?
Ag0B Br1L Ag04 120.09(7) . . ?
Ag0B Br1L Ag0D 72.64(5) . . ?
Ag05 Br1M Ag0H 67.19(5) . . ?
Ag05 Br1M Ag0M 74.57(5) . . ?
Ag05 Br1M Ag0S 121.66(7) . . ?
Ag0H Br1M Ag0M 141.74(7) . . ?
Ag0H Br1M Ag0S 120.76(7) . . ?
Ag0S Br1M Ag0M 78.33(5) . . ?
Ag09 S01N Ag0I 104.93(13) . . ?
Ag0A S01N Ag09 105.61(12) . . ?
Ag0A S01N Ag0I 105.77(14) . . ?
C02X S01N Ag09 111.3(5) . . ?
C02X S01N Ag0A 113.8(5) . . ?
C02X S01N Ag0I 114.7(5) . . ?
Ag06 S01O Ag0G 109.03(13) . . ?
Ag06 S01O Ag0W 104.15(13) . . ?
Ag0W S01O Ag0G 121.14(14) . . ?
C030 S01O Ag06 105.5(5) . . ?
C030 S01O Ag0G 107.7(5) . . ?
C030 S01O Ag0W 108.3(5) . . ?
C030 S01O Ag2A 119.3(7) . . ?
Ag2A S01O Ag06 83.7(5) . . ?
Ag2A S01O Ag0G 125.9(4) . . ?
Ag0A S01P Ag04 126.42(14) . . ?
Ag0A S01P Ag0F 85.87(11) . . ?
Ag0F S01P Ag04 116.72(13) . . ?
C02Y S01P Ag04 106.7(7) . . ?
C02Y S01P Ag0A 111.5(7) . . ?
C02Y S01P Ag0F 107.4(7) . . ?
Ag0F S01Q Ag0E 103.85(13) . . ?
Ag0O S01Q Ag0E 104.83(13) . . ?
Ag0O S01Q Ag0F 105.68(14) . . ?
C02P S01Q Ag0E 112.3(5) . . ?
C02P S01Q Ag0F 114.0(5) . . ?
C02P S01Q Ag0O 115.1(5) . . ?
Ag0J S01R Ag08 116.03(13) . . ?
Ag0J S01R Ag0M 80.11(11) . . ?
Ag0M S01R Ag08 112.08(13) . . ?
C02N S01R Ag08 123.2(6) . . ?
C02N S01R Ag0J 111.9(6) . . ?
C02N S01R Ag0M 104.3(6) . . ?
Ag09 S01S Ag0S 117.14(14) . . ?
Ag0E S01S Ag09 85.42(12) . . ?
Ag0E S01S Ag0S 123.50(14) . . ?
C02M S01S Ag09 108.0(5) . . ?
C02M S01S Ag0E 109.2(6) . . ?
C02M S01S Ag0S 110.7(5) . . ?
Ag06 S01T Ag04 105.09(13) . . ?
Ag0R S01T Ag04 108.28(14) . . ?
Ag0R S01T Ag06 88.84(13) . . ?
C02W S01T Ag04 126.2(6) . . ?
C02W S01T Ag06 110.8(6) . . ?
C02W S01T Ag0R 111.1(6) . . ?
Ag0D S01U Ag04 96.31(13) . . ?
Ag0Q S01U Ag04 116.39(15) . . ?
Ag0Q S01U Ag0D 99.09(13) . . ?
C036 S01U Ag04 111.7(5) . . ?
C036 S01U Ag0D 112.3(6) . . ?
C036 S01U Ag0Q 118.0(6) . . ?
Ag0D S01V Ag0C 114.01(14) . . ?
Ag0K S01V Ag0C 113.55(14) . . ?
Ag0K S01V Ag0D 80.64(12) . . ?
C03T S01V Ag0C 120.0(6) . . ?
C03T S01V Ag0D 107.5(6) . . ?
C03T S01V Ag0K 114.3(6) . . ?
Ag08 S01W Ag0G 61.03(8) . . ?
Ag0P S01W Ag08 86.23(12) . . ?
Ag0P S01W Ag0G 123.76(14) . . ?
Ag0V S01W Ag08 131.02(15) . . ?
Ag0V S01W Ag0G 93.33(12) . . ?
Ag0V S01W Ag0P 74.39(11) . . ?
C02T S01W Ag08 119.3(6) . . ?
C02T S01W Ag0G 121.0(5) . . ?
C02T S01W Ag0P 114.7(5) . . ?
C02T S01W Ag0V 109.7(6) . . ?
Ag0N S01X Ag0L 105.32(13) . . ?
Ag0N S01X Ag1H 97.55(14) . . ?
Ag0N S01X Ag3A 145.6(3) . . ?
Ag1H S01X Ag0L 125.52(15) . . ?
C02Z S01X Ag0L 107.7(6) . . ?
C02Z S01X Ag0N 105.7(6) . . ?
C02Z S01X Ag1H 112.5(5) . . ?
C02Z S01X Ag3A 107.1(6) . . ?
Ag3A S01X Ag0L 74.0(3) . . ?
Ag3A S01X Ag1H 60.2(3) . . ?
Ag0I S01Y Ag13 138.18(15) . . ?
Ag0I S01Y Ag1D 104.06(16) . . ?
Ag1D S01Y Ag13 76.69(11) . . ?
C02O S01Y Ag0I 110.4(5) . . ?
C02O S01Y Ag13 107.5(5) . . ?
C02O S01Y Ag1D 112.2(6) . . ?
Ag0Q S01Z Ag0Z 77.75(13) . . ?
C03I S01Z Ag0Q 109.4(5) . . ?
C03I S01Z Ag0Z 105.8(5) . . ?
Ag0C S020 Ag0L 60.98(8) . . ?
Ag12 S020 Ag0C 92.06(13) . . ?
Ag12 S020 Ag0L 126.69(15) . . ?
Ag12 S020 Ag3A 89.2(3) . . ?
Ag1A S020 Ag0C 127.37(16) . . ?
Ag1A S020 Ag0L 88.75(13) . . ?
Ag1A S020 Ag12 71.87(11) . . ?
C044 S020 Ag0C 121.5(7) . . ?
C044 S020 Ag0L 123.1(6) . . ?
C044 S020 Ag12 110.3(6) . . ?
C044 S020 Ag1A 111.0(7) . . ?
C044 S020 Ag3A 117.9(7) . . ?
Ag3A S020 Ag0C 115.6(3) . . ?
Ag3A S020 Ag0L 67.6(2) . . ?
Ag0O S021 Ag0Y 138.73(16) . . ?
Ag0O S021 Ag0Z 78.12(11) . . ?
Ag0O S021 Ag16 96.88(15) . . ?
Ag0Y S021 Ag0Z 85.83(11) . . ?
Ag16 S021 Ag0Y 70.89(11) . . ?
Ag16 S021 Ag0Z 138.43(16) . . ?
C03D S021 Ag0O 110.7(8) . . ?
C03D S021 Ag0Y 110.4(8) . . ?
C03D S021 Ag0Z 109.5(8) . . ?
C03D S021 Ag16 110.8(8) . . ?
Ag0K S022 Ag0Y 99.10(15) . . ?
Ag0K S022 Ag0Z 102.77(14) . . ?
Ag0Y S022 Ag0Z 106.82(16) . . ?
C02Q S022 Ag0K 107.2(6) . . ?
C02Q S022 Ag0Y 121.3(6) . . ?
C02Q S022 Ag0Z 116.6(6) . . ?
Ag0J S023 Ag11 101.96(15) . . ?
Ag0J S023 Ag13 102.13(15) . . ?
Ag11 S023 Ag13 99.28(15) . . ?
C03Y S023 Ag0J 111.0(7) . . ?
C03Y S023 Ag11 112.0(7) . . ?
C03Y S023 Ag13 127.2(7) . . ?
Ag0T S024 Ag0X 78.75(12) . . ?
Ag0T S024 Ag13 70.67(11) . . ?
Ag0X S024 Ag13 137.62(16) . . ?
C04X S024 Ag0T 115.4(6) . . ?
C04X S024 Ag0X 110.4(6) . . ?
C04X S024 Ag13 109.0(6) . . ?
Ag0M S025 Ag0S 101.77(15) . . ?
Ag0U S025 Ag0M 96.24(15) . . ?
Ag0U S025 Ag0S 111.94(16) . . ?
C03L S025 Ag0M 121.4(7) . . ?
C03L S025 Ag0S 111.8(7) . . ?
C03L S025 Ag0U 112.4(7) . . ?
Ag0V S026 Ag0W 73.32(11) . . ?
Ag0V S026 Ag0X 112.78(17) . . ?
Ag0X S026 Ag0W 116.52(16) . . ?
C035 S026 Ag0V 107.4(6) . . ?
C035 S026 Ag0W 126.3(6) . . ?
C035 S026 Ag0X 112.1(6) . . ?
Ag0Y S027 Ag18 133.18(17) . . ?
Ag10 S027 Ag0Y 74.64(12) . . ?
Ag10 S027 Ag18 74.32(13) . . ?
C03S S027 Ag0Y 107.4(7) . . ?
C03S S027 Ag10 109.8(8) . . ?
C03S S027 Ag18 115.7(7) . . ?
Ag0N S028 Ag0S 106.72(16) . . ?
Ag15 S028 Ag0N 92.44(16) . . ?
Ag15 S028 Ag0S 103.23(16) . . ?
C07P S028 Ag0N 108.4(7) . . ?
C07P S028 Ag0S 127.0(7) . . ?
C07P S028 Ag15 113.4(7) . . ?
Ag17 S029 Ag0W 131.82(17) . . ?
Ag17 S029 Ag1D 73.29(13) . . ?
Ag1D S029 Ag0W 103.49(16) . . ?
C047 S029 Ag0W 115.1(6) . . ?
C047 S029 Ag17 108.8(6) . . ?
C047 S029 Ag1D 115.3(6) . . ?
C047 S029 Ag2A 128.9(8) . . ?
Ag2A S029 Ag17 113.4(5) . . ?
Ag2A S029 Ag1D 103.6(4) . . ?
Ag15 S02A Ag14 73.32(13) . . ?
C04I S02A Ag14 107.2(5) . . ?
C04I S02A Ag15 107.2(5) . . ?
Ag10 S02B Ag12 94.04(17) . . ?
C03P S02B Ag10 107.8(7) . . ?
C03P S02B Ag12 104.5(6) . . ?
Ag0R S02C Ag17 75.40(13) . . ?
C06F S02C Ag0R 107.5(7) . . ?
C06F S02C Ag17 110.0(7) . . ?
Ag0T S02D Ag0P 94.12(15) . . ?
C04C S02D Ag0P 106.1(6) . . ?
C04C S02D Ag0T 105.1(6) . . ?
Ag14 S02E Ag16 73.59(13) . . ?
Ag14 S02E Ag1H 130.53(19) . . ?
Ag14 S02E Ag1 151.6(3) . . ?
Ag16 S02E Ag1H 102.06(16) . . ?
C04M S02E Ag14 106.5(8) . . ?
C04M S02E Ag16 111.1(8) . . ?
C04M S02E Ag1H 120.1(8) . . ?
C04M S02E Ag1 101.4(8) . . ?
Ag1 S02E Ag16 91.5(3) . . ?
Ag0U S02F Ag11 76.88(14) . . ?
C04P S02F Ag0U 105.7(8) . . ?
C04P S02F Ag11 108.6(9) . . ?
Ag18 S02G Ag1H 117.32(19) . . ?
Ag18 S02G Ag3A 134.1(3) . . ?
Ag1A S02G Ag18 121.7(2) . . ?
Ag1H S02G Ag3A 56.7(2) . . ?
C07U S02G Ag18 112.2(5) . . ?
C07U S02G Ag1A 108.1(6) . . ?
C07U S02G Ag1H 117.9(6) . . ?
C07U S02G Ag1 132.6(7) . . ?
C07U S02G Ag3A 108.2(6) . . ?
Ag1 S02G Ag18 90.6(3) . . ?
Ag1 S02G Ag1A 91.6(3) . . ?
C02V C02M S01S 112.3(12) . . ?
C02V C02M C037 108.8(14) . . ?
C02V C02M C04H 109.1(13) . . ?
C037 C02M S01S 109.9(11) . . ?
C04H C02M S01S 109.6(11) . . ?
C04H C02M C037 107.0(14) . . ?
C04D C02N S01R 109.1(12) . . ?
C04D C02N C05J 111.2(15) . . ?
C04N C02N S01R 108.6(12) . . ?
C04N C02N C04D 111.0(15) . . ?
C04N C02N C05J 106.3(15) . . ?
C05J C02N S01R 110.6(12) . . ?
C03A C02O S01Y 108.0(11) . . ?
C04T C02O S01Y 111.1(11) . . ?
C04T C02O C03A 109.9(13) . . ?
C04T C02O C067 111.0(14) . . ?
C067 C02O S01Y 107.6(11) . . ?
C067 C02O C03A 109.2(14) . . ?
C03B C02P S01Q 109.1(11) . . ?
C03B C02P C04G 109.3(14) . . ?
C04G C02P S01Q 109.7(11) . . ?
C054 C02P S01Q 108.9(11) . . ?
C054 C02P C03B 108.5(13) . . ?
C054 C02P C04G 111.3(14) . . ?
C03C C02Q S022 108.9(12) . . ?
C03H C02Q S022 108.1(13) . . ?
C03H C02Q C03C 108.8(15) . . ?
C04A C02Q S022 110.1(12) . . ?
C04A C02Q C03C 110.1(16) . . ?
C04A C02Q C03H 110.7(16) . . ?
C02Z C02R C045 110.4(14) . . ?
C039 C02S C030 109.9(13) . . ?
C04K C02T S01W 109.3(12) . . ?
C04Y C02T S01W 110.8(11) . . ?
C04Y C02T C04K 107.5(14) . . ?
C065 C02T S01W 109.0(11) . . ?
C065 C02T C04K 109.9(14) . . ?
C065 C02T C04Y 110.3(15) . . ?
C02M C02V C055 108.6(13) . . ?
C03Q C02W S01T 107.9(11) . . ?
C046 C02W S01T 108.7(13) . . ?
C046 C02W C03Q 111.5(15) . . ?
C046 C02W C07Q 110.9(14) . . ?
C07Q C02W S01T 106.3(12) . . ?
C07Q C02W C03Q 111.2(16) . . ?
C03N C02X S01N 109.0(11) . . ?
C03N C02X C03X 109.0(13) . . ?
C03N C02X C052 109.7(14) . . ?
C03X C02X S01N 109.9(11) . . ?
C03X C02X C052 110.1(14) . . ?
C052 C02X S01N 109.2(11) . . ?
C059 C02Y S01P 110.7(13) . . ?
C059 C02Y C06M 111.1(18) . . ?
C059 C02Y C080 109.9(17) . . ?
C06M C02Y S01P 109.7(14) . . ?
C06M C02Y C080 108.2(17) . . ?
C080 C02Y S01P 107.1(13) . . ?
C02R C02Z S01X 107.9(11) . . ?
C02R C02Z C05R 110.2(14) . . ?
C03F C02Z S01X 108.8(12) . . ?
C03F C02Z C02R 110.3(14) . . ?
C03F C02Z C05R 108.9(14) . . ?
C05R C02Z S01X 110.6(11) . . ?
C02S C030 S01O 109.6(11) . . ?
C031 C030 S01O 108.7(11) . . ?
C031 C030 C02S 108.2(13) . . ?
C05I C030 S01O 111.9(11) . . ?
C05I C030 C02S 109.2(13) . . ?
C05I C030 C031 109.1(14) . . ?
C030 C031 C03E 110.9(14) . . ?
C042 C033 C038 111.2(14) . . ?
C035 C034 C04R 110.5(16) . . ?
C034 C035 S026 107.8(13) . . ?
C034 C035 C03K 110.9(16) . . ?
C034 C035 C05U 111.7(16) . . ?
C03K C035 S026 107.3(13) . . ?
C03K C035 C05U 108.4(15) . . ?
C05U C035 S026 110.5(13) . . ?
C04Q C036 S01U 108.1(11) . . ?
C04Q C036 C05D 108.7(15) . . ?
C057 C036 S01U 110.5(12) . . ?
C057 C036 C04Q 112.1(15) . . ?
C057 C036 C05D 109.5(14) . . ?
C05D C036 S01U 107.9(11) . . ?
C04S C037 C02M 111.3(13) . . ?
C033 C038 C03N 106.7(14) . . ?
C033 C038 C06A 109.8(15) . . ?
C06A C038 C03N 108.5(14) . . ?
C02S C039 C03J 109.3(14) . . ?
C04V C039 C02S 110.3(14) . . ?
C04V C039 C03J 110.0(15) . . ?
C02O C03A C053 107.9(14) . . ?
C02P C03B C05A 109.4(13) . . ?
C05P C03C C02Q 108.8(15) . . ?
C06S C03D S021 111.4(17) . . ?
C06S C03D C07Z 111.2(19) . . ?
C06S C03D C09A 111(2) . . ?
C07Z C03D S021 109.7(16) . . ?
C09A C03D S021 111.4(16) . . ?
C09A C03D C07Z 101(2) . . ?
C03J C03E C031 108.9(14) . . ?
C06Y C03E C031 108.0(14) . . ?
C06Y C03E C03J 110.0(15) . . ?
C02Z C03F C04E 108.6(15) . . ?
C04O C03G C05Q 109.2(15) . . ?
C02Q C03H C048 107.9(15) . . ?
C0B9 C03I S01Z 108.5(9) . . ?
C0B9 C03I C0BN 110.2(7) . . ?
C0BK C03I S01Z 107.0(9) . . ?
C0BK C03I C0B9 107.3(7) . . ?
C0BK C03I C0BN 110.6(6) . . ?
C0BN C03I S01Z 113.1(9) . . ?
C03E C03J C039 110.2(14) . . ?
C035 C03K C08B 106.6(15) . . ?
C05L C03L S025 111.0(13) . . ?
C064 C03L S025 112.3(14) . . ?
C064 C03L C05L 107.6(17) . . ?
C064 C03L C07W 110.1(16) . . ?
C07W C03L S025 109.3(14) . . ?
C07W C03L C05L 106.4(16) . . ?
C03U C03M C03X 109.7(14) . . ?
C03U C03M C06A 111.9(14) . . ?
C06A C03M C03X 105.3(14) . . ?
C02X C03N C038 111.3(14) . . ?
C040 C03P S02B 107.7(14) . . ?
C040 C03P C05B 110.9(17) . . ?
C040 C03P C06N 110.5(17) . . ?
C05B C03P S02B 111.9(14) . . ?
C06N C03P S02B 106.5(14) . . ?
C06N C03P C05B 109.2(17) . . ?
C02W C03Q C07D 106.3(14) . . ?
C041 C03R C04G 107.9(14) . . ?
C041 C03R C05V 108.8(14) . . ?
C04G C03R C05V 108.2(15) . . ?
C08C C03S S027 112.1(16) . . ?
C08C C03S C08W 109(2) . . ?
C08C C03S C09I 114(2) . . ?
C08W C03S S027 112.5(16) . . ?
C08W C03S C09I 104(2) . . ?
C09I C03S S027 104.0(15) . . ?
C04Z C03T S01V 112.6(13) . . ?
C04Z C03T C05H 108.3(16) . . ?
C04Z C03T C07H 110.4(16) . . ?
C05H C03T S01V 109.4(13) . . ?
C07H C03T S01V 107.7(13) . . ?
C07H C03T C05H 108.4(16) . . ?
C03M C03U C042 110.8(15) . . ?
C043 C03V C055 111.3(14) . . ?
C06R C03W C059 110.6(17) . . ?
C06R C03W C07Y 107.3(18) . . ?
C07Y C03W C059 107.5(17) . . ?
C02X C03X C03M 109.7(13) . . ?
C05K C03Y S023 108.2(14) . . ?
C05K C03Y C06I 109.3(17) . . ?
C05K C03Y C06P 109.5(18) . . ?
C06I C03Y S023 110.6(14) . . ?
C06P C03Y S023 111.5(14) . . ?
C06P C03Y C06I 107.8(16) . . ?
C06I C03Z C06L 111.2(18) . . ?
C06I C03Z C07F 109.6(18) . . ?
C06L C03Z C07F 105.4(18) . . ?
C03P C040 C06D 109.1(17) . . ?
C05A C041 C03R 111.1(15) . . ?
C033 C042 C052 109.3(14) . . ?
C03U C042 C033 110.7(15) . . ?
C03U C042 C052 108.9(14) . . ?
C03V C043 C04H 107.4(14) . . ?
C05Y C043 C03V 109.7(15) . . ?
C05Y C043 C04H 110.1(14) . . ?
C086 C044 S020 109.0(14) . . ?
C08Y C044 S020 109.4(15) . . ?
C08Y C044 C086 110.5(18) . . ?
C092 C044 S020 110.9(15) . . ?
C092 C044 C086 107.4(19) . . ?
C092 C044 C08Y 109.6(18) . . ?
C02R C045 C04F 106.7(14) . . ?
C056 C045 C02R 110.8(14) . . ?
C056 C045 C04F 105.3(14) . . ?
C02W C046 C05T 107.5(16) . . ?
C09K C047 S029 109.8(13) . . ?
C09K C047 C0B1 106(2) . . ?
C09K C047 C0B5 108(2) . . ?
C0B1 C047 S029 108.6(14) . . ?
C0B1 C047 C0B5 112(2) . . ?
C0B5 C047 S029 112.3(14) . . ?
C03H C048 C073 109.8(15) . . ?
C071 C048 C03H 110.0(15) . . ?
C071 C048 C073 111.2(16) . . ?
C04U C049 C04T 109.6(14) . . ?
C04U C049 C06E 114.1(15) . . ?
C06E C049 C04T 106.3(13) . . ?
C02Q C04A C06B 114.1(16) . . ?
C07X C04B C053 111.2(14) . . ?
C04J C04C S02D 111.7(11) . . ?
C04J C04C C05S 106.6(15) . . ?
C04W C04C S02D 108.9(12) . . ?
C04W C04C C04J 112.2(15) . . ?
C04W C04C C05S 107.2(14) . . ?
C05S C04C S02D 110.1(12) . . ?
C02N C04D C082 108.0(14) . . ?
C04F C04E C03F 110.4(15) . . ?
C06Z C04E C03F 109.1(14) . . ?
C06Z C04E C04F 109.5(15) . . ?
C04E C04F C045 112.6(14) . . ?
C02P C04G C03R 109.2(13) . . ?
C043 C04H C02M 111.3(14) . . ?
C0B2 C04I S02A 110.5(9) . . ?
C0B2 C04I C40 109.7(6) . . ?
C20 C04I S02A 108.1(9) . . ?
C20 C04I C0B2 108.9(7) . . ?
C20 C04I C40 110.7(6) . . ?
C40 C04I S02A 108.9(9) . . ?
C04C C04J C05Z 110.9(14) . . ?
C02T C04K C081 110.1(15) . . ?
C05P C04L C06B 108.2(16) . . ?
C08J C04M S02E 112.3(18) . . ?
C09Y C04M S02E 112.2(17) . . ?
C09Y C04M C08J 108(2) . . ?
C09Y C04M C0AV 105(2) . . ?
C0AV C04M S02E 107.4(17) . . ?
C0AV C04M C08J 111(2) . . ?
C02N C04N C07G 111.6(16) . . ?
C03G C04O C04Q 109.6(15) . . ?
C03G C04O C05N 110.8(16) . . ?
C05N C04O C04Q 107.9(15) . . ?
C093 C04P S02F 113.8(18) . . ?
C0AA C04P S02F 113.8(17) . . ?
C0AA C04P C093 106(2) . . ?
C0AA C04P C0AL 104(2) . . ?
C0AL C04P S02F 113.6(18) . . ?
C0AL C04P C093 104(2) . . ?
C036 C04Q C04O 109.3(15) . . ?
C06T C04R C034 110.6(16) . . ?
C06T C04R C08Q 112.7(17) . . ?
C08Q C04R C034 104.3(16) . . ?
C037 C04S C05C 107.9(14) . . ?
C05Y C04S C037 109.1(14) . . ?
C05Y C04S C05C 108.5(14) . . ?
C02O C04T C049 108.5(14) . . ?
C049 C04U C053 109.5(14) . . ?
C039 C04V C06O 108.0(15) . . ?
C04C C04W C06H 111.2(15) . . ?
C05M C04X S024 107.6(12) . . ?
C05M C04X C07S 107.2(16) . . ?
C07M C04X S024 112.6(13) . . ?
C07M C04X C05M 111.1(16) . . ?
C07M C04X C07S 108.6(15) . . ?
C07S C04X S024 109.7(13) . . ?
C07J C04Y C02T 111.5(14) . . ?
C05G C04Z C03T 112.3(16) . . ?
C02X C052 C042 107.7(13) . . ?
C04B C053 C03A 109.3(13) . . ?
C04B C053 C04U 109.7(14) . . ?
C04U C053 C03A 107.6(14) . . ?
C02P C054 C077 108.3(14) . . ?
C03V C055 C02V 110.0(14) . . ?
C03V C055 C05C 108.8(14) . . ?
C05C C055 C02V 109.5(13) . . ?
C045 C056 C05E 109.6(14) . . ?
C036 C057 C05F 108.5(14) . . ?
C075 C058 C065 106.6(15) . . ?
C08P C058 C065 105.9(15) . . ?
C08P C058 C075 112.8(16) . . ?
C02Y C059 C03W 110.1(17) . . ?
C041 C05A C03B 107.0(13) . . ?
C041 C05A C06J 110.6(15) . . ?
C06J C05A C03B 109.0(14) . . ?
C03P C05B C07B 109.6(17) . . ?
C055 C05C C04S 110.0(14) . . ?
C036 C05D C05Q 108.2(14) . . ?
C05R C05E C056 109.7(14) . . ?
C05R C05E C06Z 110.4(14) . . ?
C06Z C05E C056 110.6(14) . . ?
C057 C05F C06K 110.8(14) . . ?
C05N C05F C057 109.2(15) . . ?
C05N C05F C06K 108.4(15) . . ?
C04Z C05G C061 107.5(17) . . ?
C04Z C05G C06U 111.8(17) . . ?
C06U C05G C061 107.4(16) . . ?
C07I C05H C03T 108.2(16) . . ?
C030 C05I C06O 110.5(13) . . ?
C072 C05J C02N 108.6(14) . . ?
C03Y C05K C079 109.8(17) . . ?
C08G C05L C03L 110.6(17) . . ?
C04X C05M C07V 109.8(16) . . ?
C05F C05N C04O 111.8(15) . . ?
C076 C05O C06W 110.8(17) . . ?
C03C C05P C04L 111.5(15) . . ?
C03C C05P C071 110.6(16) . . ?
C04L C05P C071 109.4(16) . . ?
C05D C05Q C03G 108.7(14) . . ?
C06K C05Q C03G 109.8(15) . . ?
C06K C05Q C05D 109.9(15) . . ?
C05E C05R C02Z 108.7(13) . . ?
C070 C05S C04C 110.4(14) . . ?
C063 C05T C046 111.2(16) . . ?
C063 C05T C074 106.5(17) . . ?
C074 C05T C046 109.9(15) . . ?
C06Q C05U C035 108.4(15) . . ?
C077 C05V C03R 111.9(15) . . ?
C07P C05X C06W 111.3(17) . . ?
C043 C05Y C04S 112.0(15) . . ?
C04J C05Z C066 107.3(15) . . ?
C06V C05Z C04J 110.0(15) . . ?
C06V C05Z C066 108.4(15) . . ?
C07V C060 C08K 107.1(16) . . ?
C05G C061 C07I 112.2(17) . . ?
C06D C062 C07B 111.1(18) . . ?
C07A C063 C05T 110.5(17) . . ?
C03L C064 C07E 108.5(17) . . ?
C02T C065 C058 109.5(14) . . ?
C06H C066 C05Z 112.0(15) . . ?
C02O C067 C07X 109.2(14) . . ?
C091 C068 C09C 108(2) . . ?
C07U C069 C08T 109.6(16) . . ?
C038 C06A C03M 109.9(14) . . ?
C04A C06B C04L 110.8(15) . . ?
C04A C06B C073 107.5(16) . . ?
C04L C06B C073 105.8(15) . . ?
C062 C06D C040 110.7(18) . . ?
C062 C06D C0AE 109.2(18) . . ?
C0AE C06D C040 109.5(18) . . ?
C07X C06E C049 109.2(15) . . ?
C09B C06F S02C 107.5(16) . . ?
C09B C06F C0AG 109(2) . . ?
C09Q C06F S02C 113.1(16) . . ?
C09Q C06F C09B 106(2) . . ?
C09Q C06F C0AG 112(2) . . ?
C0AG C06F S02C 109.5(16) . . ?
C07N C06G C08K 110.4(16) . . ?
C066 C06H C04W 108.9(15) . . ?
C066 C06H C07R 109.4(16) . . ?
C07R C06H C04W 105.7(14) . . ?
C03Z C06I C03Y 111.8(18) . . ?
C077 C06J C05A 108.8(13) . . ?
C05Q C06K C05F 108.0(14) . . ?
C03Z C06L C07K 111.9(17) . . ?
C02Y C06M C085 110.6(17) . . ?
C03P C06N C08H 108.5(17) . . ?
C05I C06O C04V 109.1(14) . . ?
C06Y C06O C04V 110.7(14) . . ?
C06Y C06O C05I 108.1(14) . . ?
C07K C06P C03Y 114.8(18) . . ?
C05U C06Q C06T 110.6(15) . . ?
C05U C06Q C08A 110.9(16) . . ?
C08A C06Q C06T 106.5(16) . . ?
C09N C06R C03W 113.0(18) . . ?
C03D C06S C09C 111(2) . . ?
C04R C06T C06Q 107.7(16) . . ?
C05G C06U C083 109.3(17) . . ?
C05Z C06V C070 110.1(15) . . ?
C05O C06W C05X 108.2(17) . . ?
C078 C06W C05O 110.9(18) . . ?
C078 C06W C05X 111.1(17) . . ?
C076 C06X C087 108.5(17) . . ?
C03E C06Y C06O 109.9(15) . . ?
C04E C06Z C05E 108.3(14) . . ?
C06V C070 C05S 108.1(14) . . ?
C07R C070 C05S 107.8(15) . . ?
C07R C070 C06V 110.3(15) . . ?
C048 C071 C05P 107.0(15) . . ?
C08F C072 C05J 106.1(15) . . ?
C08V C072 C05J 110.2(15) . . ?
C08V C072 C08F 112.3(16) . . ?
C048 C073 C06B 107.7(15) . . ?
C05T C074 C07D 110.8(16) . . ?
C081 C075 C058 110.6(15) . . ?
C05O C076 C06X 110.4(17) . . ?
C05O C076 C088 108.8(17) . . ?
C088 C076 C06X 108.0(17) . . ?
C05V C077 C054 110.5(14) . . ?
C05V C077 C06J 111.2(15) . . ?
C06J C077 C054 109.0(14) . . ?
C06W C078 C087 107.6(17) . . ?
C07F C079 C05K 110.4(18) . . ?
C07F C079 C08I 109.3(18) . . ?
C08I C079 C05K 106.3(17) . . ?
C063 C07A C07L 113.3(17) . . ?
C063 C07A C07Q 109.6(16) . . ?
C07L C07A C07Q 109.4(16) . . ?
C05B C07B C062 107.9(17) . . ?
C084 C07B C05B 109.8(17) . . ?
C084 C07B C062 105.2(17) . . ?
C081 C07C C07J 112.4(15) . . ?
C03Q C07D C074 110.0(16) . . ?
C07L C07D C03Q 112.7(16) . . ?
C07L C07D C074 105.0(15) . . ?
C089 C07E C064 108.7(16) . . ?
C08E C07E C064 109.9(17) . . ?
C08E C07E C089 106.3(17) . . ?
C079 C07F C03Z 109.3(17) . . ?
C08F C07G C04N 105.7(15) . . ?
C08F C07G C08M 111.4(17) . . ?
C08M C07G C04N 107.7(16) . . ?
C03T C07H C083 108.7(17) . . ?
C061 C07I C05H 107.6(16) . . ?
C08D C07I C05H 109.4(17) . . ?
C08D C07I C061 109.8(17) . . ?
C04Y C07J C07C 110.2(15) . . ?
C04Y C07J C08P 107.1(15) . . ?
C07C C07J C08P 105.0(14) . . ?
C06P C07K C06L 105.5(18) . . ?
C06P C07K C08I 110.3(19) . . ?
C08I C07K C06L 104.0(17) . . ?
C07A C07L C07D 108.4(17) . . ?
C04X C07M C07N 110.6(16) . . ?
C06G C07N C07M 109.3(16) . . ?
C06G C07N C09J 106.5(16) . . ?
C07M C07N C09J 107.3(15) . . ?
C08E C07O C07W 110.9(17) . . ?
C097 C07O C07W 109.1(17) . . ?
C097 C07O C08E 109.9(19) . . ?
C05X C07P S028 113.5(14) . . ?
C05X C07P C088 108.6(16) . . ?
C05X C07P C08S 110.3(17) . . ?
C088 C07P S028 109.9(14) . . ?
C088 C07P C08S 104.6(16) . . ?
C08S C07P S028 109.5(13) . . ?
C02W C07Q C07A 105.4(15) . . ?
C070 C07R C06H 113.6(15) . . ?
C04X C07S C08K 109.4(16) . . ?
C069 C07U S02G 110.9(12) . . ?
C069 C07U C0A6 109.4(17) . . ?
C0A6 C07U S02G 106.1(12) . . ?
C0AM C07U S02G 111.2(12) . . ?
C0AM C07U C069 109.4(17) . . ?
C0AM C07U C0A6 109.9(17) . . ?
C060 C07V C05M 109.6(16) . . ?
C09J C07V C05M 110.3(17) . . ?
C09J C07V C060 111.2(17) . . ?
C07O C07W C03L 109.0(17) . . ?
C04B C07X C067 107.5(14) . . ?
C04B C07X C06E 110.9(14) . . ?
C06E C07X C067 109.7(15) . . ?
C085 C07Y C03W 111.3(19) . . ?
C091 C07Z C03D 110(2) . . ?
C02Y C080 C09N 108.3(17) . . ?
C075 C081 C04K 108.6(15) . . ?
C075 C081 C07C 111.0(16) . . ?
C07C C081 C04K 107.9(14) . . ?
C08M C082 C04D 105.9(15) . . ?
C08V C082 C04D 109.0(15) . . ?
C08V C082 C08M 110.9(16) . . ?
C07H C083 C06U 108.7(16) . . ?
C08D C083 C06U 110.0(17) . . ?
C08D C083 C07H 112.2(18) . . ?
C08H C084 C07B 114.4(18) . . ?
C07Y C085 C06M 111.5(18) . . ?
C07Y C085 C098 109.2(18) . . ?
C098 C085 C06M 105.8(18) . . ?
C044 C086 C09L 110.8(18) . . ?
C06X C087 C078 109.6(16) . . ?
C08S C087 C06X 109.9(17) . . ?
C08S C087 C078 108.8(17) . . ?
C076 C088 C07P 112.2(17) . . ?
C08G C089 C07E 111.9(18) . . ?
C08B C08A C06Q 110.9(16) . . ?
C08A C08B C03K 108.0(16) . . ?
C08Q C08B C03K 107.5(16) . . ?
C08Q C08B C08A 113.3(17) . . ?
C03S C08C C08R 110(2) . . ?
C083 C08D C07I 108.2(17) . . ?
C07O C08E C07E 111.5(17) . . ?
C07G C08F C072 110.8(16) . . ?
C05L C08G C097 110.3(18) . . ?
C089 C08G C05L 109.9(18) . . ?
C089 C08G C097 107.5(18) . . ?
C084 C08H C06N 108.4(17) . . ?
C084 C08H C0AE 108.5(18) . . ?
C0AE C08H C06N 108.3(17) . . ?
C07K C08I C079 113.8(19) . . ?
C04M C08J C08O 110(2) . . ?
C060 C08K C06G 111.6(16) . . ?
C060 C08K C07S 110.3(16) . . ?
C06G C08K C07S 107.7(16) . . ?
C08Z C08L C0BK 110.1(6) . . ?
C090 C08L C08Z 110.7(7) . . ?
C090 C08L C0BK 107.1(7) . . ?
C07G C08M C082 112.2(16) . . ?
C091 C08N C0B6 113(2) . . ?
C09H C08O C08J 112(2) . . ?
C09H C08O C09X 109(2) . . ?
C09X C08O C08J 104(2) . . ?
C058 C08P C07J 113.0(16) . . ?
C08B C08Q C04R 110.3(17) . . ?
C08X C08R C08C 103(2) . . ?
C0A9 C08R C08C 105(2) . . ?
C0A9 C08R C08X 116(2) . . ?
C087 C08S C07P 110.8(16) . . ?
C09V C08T C069 107.9(17) . . ?
C0BA C08T C069 109.6(17) . . ?
C0BA C08T C09V 108.9(17) . . ?
C0A9 C08U C08W 105(2) . . ?
C0AD C08U C08W 104(2) . . ?
C0AD C08U C0A9 111(2) . . ?
C072 C08V C082 110.9(17) . . ?
C03S C08W C08U 112(2) . . ?
C099 C08X C08R 114(2) . . ?
C044 C08Y C0AF 107.9(18) . . ?
C08L C08Z C0AH 109.1(5) . . ?
C08L C090 C0A1 110.7(5) . . ?
C068 C091 C07Z 111(2) . . ?
C08N C091 C068 112(2) . . ?
C08N C091 C07Z 107(2) . . ?
C044 C092 C0AT 112.6(19) . . ?
C0AX C093 C04P 118(2) . . ?
C0AX C094 C09Z 113(2) . . ?
C0A7 C096 C09R 112(2) . . ?
C07O C097 C08G 112.2(18) . . ?
C085 C098 C09N 111.1(18) . . ?
C08X C099 C09I 109(2) . . ?
C08X C099 C0AD 115(2) . . ?
C0AD C099 C09I 98(2) . . ?
C0B6 C09A C03D 113(2) . . ?
C06F C09B C0AN 111(2) . . ?
C068 C09C C06S 110(2) . . ?
C068 C09C C0A3 108(2) . . ?
C06S C09C C0A3 107(2) . . ?
C09T C09D C0AL 110(2) . . ?
C09T C09D C0B3 117(2) . . ?
C0B3 C09D C0AL 95(2) . . ?
C0AT C09E C09L 114(2) . . ?
C0AK C09F C09Q 107(2) . . ?
C0B8 C09F C09Q 107(2) . . ?
C0B8 C09F C0AK 113(2) . . ?
C0A6 C09G C09V 109.5(17) . . ?
C0AJ C09G C09V 109.3(18) . . ?
C0AJ C09G C0A6 105.4(17) . . ?
C08O C09H C0AU 113(2) . . ?
C03S C09I C099 104.3(19) . . ?
C07V C09J C07N 112.1(17) . . ?
C047 C09K C0A7 112(2) . . ?
C09E C09L C086 104.1(18) . . ?
C0AP C09L C086 106.6(19) . . ?
C0AP C09L C09E 108.0(19) . . ?
C09X C09M C09Y 102(2) . . ?
C0BH C09M C09X 112(2) . . ?
C0BH C09M C09Y 108(2) . . ?
C06R C09N C080 111.5(18) . . ?
C06R C09N C098 108.1(19) . . ?
C098 C09N C080 104.7(17) . . ?
C09U C09P C112 109.4(4) . . ?
C06F C09Q C09F 112(2) . . ?
C096 C09R C0B5 106(2) . . ?
C0B4 C09R C096 112(2) . . ?
C0B4 C09R C0B5 110(2) . . ?
C09Z C09T C09D 114(3) . . ?
C09P C09U C0B2 109.7(5) . . ?
C09P C09U C65 110.1(5) . . ?
C65 C09U C0B2 108.6(6) . . ?
C08T C09V C09G 113.3(18) . . ?
C08O C09X C09M 112(2) . . ?
C04M C09Y C09M 112(2) . . ?
C094 C09Z C0AA 105(2) . . ?
C09T C09Z C094 114(2) . . ?
C09T C09Z C0AA 109(2) . . ?
C14 C0A0 C20 108.4(6) . . ?
C65 C0A0 C14 110.2(5) . . ?
C65 C0A0 C20 108.8(6) . . ?
C090 C0A1 C0AC 109.6(6) . . ?
C090 C0A1 C0B9 107.6(6) . . ?
C0AC C0A1 C0B9 107.8(6) . . ?
C0B6 C0A3 C09C 113(2) . . ?
C0AT C0A5 C0AF 113.9(19) . . ?
C09G C0A6 C07U 110.8(17) . . ?
C096 C0A7 C09K 107.3(19) . . ?
C92 C0A7 C096 110(2) . . ?
C92 C0A7 C09K 105(2) . . ?
C08R C0A9 C08U 116(2) . . ?
C04P C0AA C09Z 113(2) . . ?
C0AH C0AC C0A1 110.8(5) . . ?
C08U C0AD C099 114(2) . . ?
C06D C0AE C08H 109.3(17) . . ?
C0A5 C0AF C08Y 105.2(19) . . ?
C0AP C0AF C08Y 105.9(19) . . ?
C0AP C0AF C0A5 111(2) . . ?
C124 C0AG C06F 108(2) . . ?
C08Z C0AH C0BN 109.1(6) . . ?
C0AC C0AH C08Z 110.6(8) . . ?
C0AC C0AH C0BN 109.4(8) . . ?
C09G C0AJ C0AO 108.8(18) . . ?
C124 C0AK C09F 106(2) . . ?
C04P C0AL C09D 112(2) . . ?
C07U C0AM C0AO 107.5(17) . . ?
C09B C0AN C0B8 109(2) . . ?
C50 C0AN C09B 109(2) . . ?
C50 C0AN C0B8 105(2) . . ?
C0AJ C0AO C0AM 109.0(17) . . ?
C0AJ C0AO C0BA 116.8(18) . . ?
C0BA C0AO C0AM 106.9(17) . . ?
C0AF C0AP C09L 118(2) . . ?
C09E C0AT C092 106.4(19) . . ?
C09E C0AT C0A5 114(2) . . ?
C0A5 C0AT C092 103.5(19) . . ?
C09H C0AU C0AV 108(2) . . ?
C0BH C0AU C09H 110(2) . . ?
C0BH C0AU C0AV 107(2) . . ?
C04M C0AV C0AU 111(2) . . ?
C093 C0AX C094 107(2) . . ?
C093 C0AX C0B3 105(2) . . ?
C094 C0AX C0B3 109(2) . . ?
C047 C0B1 C181 112(2) . . ?
C04I C0B2 C09U 109.5(4) . . ?
C09D C0B3 C0AX 112(2) . . ?
C09R C0B4 C181 112(2) . . ?
C047 C0B5 C09R 109.1(19) . . ?
C08N C0B6 C09A 111(2) . . ?
C08N C0B6 C0A3 106(2) . . ?
C09A C0B6 C0A3 105(2) . . ?
C09F C0B8 C0AN 113(2) . . ?
C03I C0B9 C0A1 110.3(5) . . ?
C08T C0BA C0AO 107.4(18) . . ?
C09M C0BH C0AU 115(3) . . ?
C03I C0BK C08L 110.5(5) . . ?
C03I C0BN C0AH 108.9(5) . . ?
C112 C14 C0A0 109.8(4) . . ?
C04I C20 C0A0 109.9(4) . . ?
C04I C40 C112 108.1(4) . . ?
C0AN C50 C124 112(2) . . ?
C0A7 C92 C181 113(2) . . ?
C0B4 C181 C0B1 105(2) . . ?
C92 C181 C0B1 105(2) . . ?
C92 C181 C0B4 112(2) . . ?
C0A0 C65 C09U 109.4(4) . . ?
C09P C112 C40 109.1(6) . . ?
C14 C112 C09P 110.4(5) . . ?
C14 C112 C40 109.8(6) . . ?
Ag18 Ag1 Ag1J 84.1(2) . . ?
Ag1A Ag1 Ag18 85.4(3) . . ?
Ag1A Ag1 Ag1J 58.19(18) . . ?
S02E Ag1 Ag18 121.0(4) . . ?
S02E Ag1 Ag1A 138.7(4) . . ?
S02E Ag1 Ag1J 91.2(3) . . ?
S02G Ag1 Ag18 51.5(3) . . ?
S02G Ag1 Ag1A 50.4(3) . . ?
S02G Ag1 Ag1J 93.7(4) . . ?
S02G Ag1 S02E 170.3(6) . . ?
C0AG C124 C50 104(2) . . ?
C0AK C124 C0AG 112(2) . . ?
C0AK C124 C50 115(2) . . ?
S01O Ag2A Ag06 50.1(3) . . ?
S029 Ag2A Ag06 103.9(7) . . ?
S029 Ag2A S01O 153.7(9) . . ?
Ag0L Ag3A Ag1J 90.4(3) . . ?
Ag1H Ag3A Ag0L 107.5(3) . . ?
Ag1H Ag3A Ag1J 75.4(3) . . ?
Ag1H Ag3A S020 160.0(4) . . ?
Ag1H Ag3A S02G 57.8(3) . . ?
S01X Ag3A Ag0L 53.5(2) . . ?
S01X Ag3A Ag1H 60.0(2) . . ?
S01X Ag3A Ag1J 100.2(3) . . ?
S01X Ag3A S020 114.7(4) . . ?
S01X Ag3A S02G 114.7(4) . . ?
S020 Ag3A Ag0L 61.8(2) . . ?
S020 Ag3A Ag1J 87.3(3) . . ?
S020 Ag3A S02G 130.5(4) . . ?
S02G Ag3A Ag0L 164.6(4) . . ?
S02G Ag3A Ag1J 81.8(3) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ag04 S01P C02Y C059 -174.5(13) . . . . ?
Ag04 S01P C02Y C06M 62.5(15) . . . . ?
Ag04 S01P C02Y C080 -54.7(15) . . . . ?
Ag04 S01T C02W C03Q -171.6(10) . . . . ?
Ag04 S01T C02W C046 67.3(14) . . . . ?
Ag04 S01T C02W C07Q -52.2(14) . . . . ?
Ag04 S01U C036 C04Q 69.6(12) . . . . ?
Ag04 S01U C036 C057 -167.3(11) . . . . ?
Ag04 S01U C036 C05D -47.7(13) . . . . ?
Ag06 S01O C030 C02S -43.3(12) . . . . ?
Ag06 S01O C030 C031 -161.4(10) . . . . ?
Ag06 S01O C030 C05I 78.0(12) . . . . ?
Ag06 S01T C02W C03Q -43.0(14) . . . . ?
Ag06 S01T C02W C046 -164.2(10) . . . . ?
Ag06 S01T C02W C07Q 76.4(12) . . . . ?
Ag08 S01R C02N C04D -81.6(14) . . . . ?
Ag08 S01R C02N C04N 39.4(14) . . . . ?
Ag08 S01R C02N C05J 155.8(10) . . . . ?
Ag08 S01W C02T C04K -49.9(13) . . . . ?
Ag08 S01W C02T C04Y -168.2(10) . . . . ?
Ag08 S01W C02T C065 70.2(13) . . . . ?
Ag09 S01N C02X C03N 172.3(10) . . . . ?
Ag09 S01N C02X C03X -68.3(11) . . . . ?
Ag09 S01N C02X C052 52.5(12) . . . . ?
Ag09 S01S C02M C02V 54.9(13) . . . . ?
Ag09 S01S C02M C037 176.1(10) . . . . ?
Ag09 S01S C02M C04H -66.6(12) . . . . ?
Ag0A S01N C02X C03N -68.6(12) . . . . ?
Ag0A S01N C02X C03X 50.8(12) . . . . ?
Ag0A S01N C02X C052 171.7(9) . . . . ?
Ag0A S01P C02Y C059 -32.8(16) . . . . ?
Ag0A S01P C02Y C06M -155.8(13) . . . . ?
Ag0A S01P C02Y C080 87.0(14) . . . . ?
Ag0C S01V C03T C04Z -69.4(15) . . . . ?
Ag0C S01V C03T C05H 170.1(10) . . . . ?
Ag0C S01V C03T C07H 52.6(15) . . . . ?
Ag0C S020 C044 C086 73.4(16) . . . . ?
Ag0C S020 C044 C08Y -165.7(12) . . . . ?
Ag0C S020 C044 C092 -44.6(17) . . . . ?
Ag0D S01U C036 C04Q -37.2(12) . . . . ?
Ag0D S01U C036 C057 85.8(13) . . . . ?
Ag0D S01U C036 C05D -154.6(10) . . . . ?
Ag0D S01V C03T C04Z 63.1(14) . . . . ?
Ag0D S01V C03T C05H -57.4(13) . . . . ?
Ag0D S01V C03T C07H -175.0(12) . . . . ?
Ag0E S01Q C02P C03B 58.4(12) . . . . ?
Ag0E S01Q C02P C04G -61.4(12) . . . . ?
Ag0E S01Q C02P C054 176.6(9) . . . . ?
Ag0E S01S C02M C02V -36.5(13) . . . . ?
Ag0E S01S C02M C037 84.8(12) . . . . ?
Ag0E S01S C02M C04H -158.0(10) . . . . ?
Ag0F S01P C02Y C059 59.6(16) . . . . ?
Ag0F S01P C02Y C06M -63.4(15) . . . . ?
Ag0F S01P C02Y C080 179.4(12) . . . . ?
Ag0F S01Q C02P C03B -59.4(12) . . . . ?
Ag0F S01Q C02P C04G -179.1(9) . . . . ?
Ag0F S01Q C02P C054 58.9(12) . . . . ?
Ag0G S01O C030 C02S 73.0(11) . . . . ?
Ag0G S01O C030 C031 -45.1(12) . . . . ?
Ag0G S01O C030 C05I -165.7(10) . . . . ?
Ag0G S01W C02T C04K -121.8(10) . . . . ?
Ag0G S01W C02T C04Y 119.9(11) . . . . ?
Ag0G S01W C02T C065 -1.6(14) . . . . ?
Ag0I S01N C02X C03N 53.4(12) . . . . ?
Ag0I S01N C02X C03X 172.8(9) . . . . ?
Ag0I S01N C02X C052 -66.4(12) . . . . ?
Ag0I S01Y C02O C03A -132.5(10) . . . . ?
Ag0I S01Y C02O C04T -12.0(13) . . . . ?
Ag0I S01Y C02O C067 109.7(11) . . . . ?
Ag0J S01R C02N C04D 132.4(12) . . . . ?
Ag0J S01R C02N C04N -106.6(12) . . . . ?
Ag0J S01R C02N C05J 9.8(14) . . . . ?
Ag0J S023 C03Y C05K -173.8(12) . . . . ?
Ag0J S023 C03Y C06I 66.6(15) . . . . ?
Ag0J S023 C03Y C06P -53.3(16) . . . . ?
Ag0K S01V C03T C04Z 150.5(12) . . . . ?
Ag0K S01V C03T C05H 30.0(14) . . . . ?
Ag0K S01V C03T C07H -87.5(14) . . . . ?
Ag0K S022 C02Q C03C 59.8(13) . . . . ?
Ag0K S022 C02Q C03H 177.9(10) . . . . ?
Ag0K S022 C02Q C04A -61.1(13) . . . . ?
Ag0L S01X C02Z C02R -168.3(10) . . . . ?
Ag0L S01X C02Z C03F -48.6(12) . . . . ?
Ag0L S01X C02Z C05R 71.1(12) . . . . ?
Ag0L S020 C044 C086 -0.3(18) . . . . ?
Ag0L S020 C044 C08Y 120.6(14) . . . . ?
Ag0L S020 C044 C092 -118.4(13) . . . . ?
Ag0M S01R C02N C04D 47.5(14) . . . . ?
Ag0M S01R C02N C04N 168.5(11) . . . . ?
Ag0M S01R C02N C05J -75.1(13) . . . . ?
Ag0M S025 C03L C05L 173.4(10) . . . . ?
Ag0M S025 C03L C064 52.9(16) . . . . ?
Ag0M S025 C03L C07W -69.5(15) . . . . ?
Ag0N S01X C02Z C02R 79.5(12) . . . . ?
Ag0N S01X C02Z C03F -160.8(10) . . . . ?
Ag0N S01X C02Z C05R -41.1(13) . . . . ?
Ag0N S028 C07P C05X -52.1(16) . . . . ?
Ag0N S028 C07P C088 69.7(14) . . . . ?
Ag0N S028 C07P C08S -175.9(12) . . . . ?
Ag0O S01Q C02P C03B 178.2(9) . . . . ?
Ag0O S01Q C02P C04G 58.5(12) . . . . ?
Ag0O S01Q C02P C054 -63.5(12) . . . . ?
Ag0O S021 C03D C06S 160.7(15) . . . . ?
Ag0O S021 C03D C07Z 37.1(17) . . . . ?
Ag0O S021 C03D C09A -74.1(18) . . . . ?
Ag0P S01W C02T C04K 50.1(12) . . . . ?
Ag0P S01W C02T C04Y -68.1(12) . . . . ?
Ag0P S01W C02T C065 170.3(10) . . . . ?
Ag0P S02D C04C C04J 81.8(12) . . . . ?
Ag0P S02D C04C C04W -153.8(10) . . . . ?
Ag0P S02D C04C C05S -36.6(13) . . . . ?
Ag0Q S01U C036 C04Q -151.5(9) . . . . ?
Ag0Q S01U C036 C057 -28.5(14) . . . . ?
Ag0Q S01U C036 C05D 91.1(12) . . . . ?
Ag0Q S01Z C03I C0B9 136.6(7) . . . . ?
Ag0Q S01Z C03I C0BK -108.0(7) . . . . ?
Ag0Q S01Z C03I C0BN 14.0(9) . . . . ?
Ag0R S01T C02W C03Q 54.0(13) . . . . ?
Ag0R S01T C02W C046 -67.1(12) . . . . ?
Ag0R S01T C02W C07Q 173.4(10) . . . . ?
Ag0R S02C C06F C09B -158.0(16) . . . . ?
Ag0R S02C C06F C09Q -42(2) . . . . ?
Ag0R S02C C06F C0AG 84.1(18) . . . . ?
Ag0S S01S C02M C02V -175.7(10) . . . . ?
Ag0S S01S C02M C037 -54.4(12) . . . . ?
Ag0S S01S C02M C04H 62.9(12) . . . . ?
Ag0S S025 C03L C05L -66.5(14) . . . . ?
Ag0S S025 C03L C064 173.0(12) . . . . ?
Ag0S S025 C03L C07W 50.6(15) . . . . ?
Ag0S S028 C07P C05X 178.7(11) . . . . ?
Ag0S S028 C07P C088 -59.4(16) . . . . ?
Ag0S S028 C07P C08S 55.0(16) . . . . ?
Ag0T S024 C04X C05M 164.0(11) . . . . ?
Ag0T S024 C04X C07M 41.4(16) . . . . ?
Ag0T S024 C04X C07S -79.7(13) . . . . ?
Ag0T S02D C04C C04J -17.2(13) . . . . ?
Ag0T S02D C04C C04W 107.2(11) . . . . ?
Ag0T S02D C04C C05S -135.5(11) . . . . ?
Ag0U S025 C03L C05L 60.4(14) . . . . ?
Ag0U S025 C03L C064 -60.1(15) . . . . ?
Ag0U S025 C03L C07W 177.5(11) . . . . ?
Ag0U S02F C04P C093 -86.1(18) . . . . ?
Ag0U S02F C04P C0AA 36(2) . . . . ?
Ag0U S02F C04P C0AL 155.1(17) . . . . ?
Ag0V S01W C02T C04K 131.5(10) . . . . ?
Ag0V S01W C02T C04Y 13.2(13) . . . . ?
Ag0V S01W C02T C065 -108.3(11) . . . . ?
Ag0V S026 C035 C034 -70.2(13) . . . . ?
Ag0V S026 C035 C03K 170.3(11) . . . . ?
Ag0V S026 C035 C05U 52.2(14) . . . . ?
Ag0W S01O C030 C02S -154.3(9) . . . . ?
Ag0W S01O C030 C031 87.6(11) . . . . ?
Ag0W S01O C030 C05I -33.0(13) . . . . ?
Ag0W S026 C035 C034 -152.0(10) . . . . ?
Ag0W S026 C035 C03K 88.5(13) . . . . ?
Ag0W S026 C035 C05U -29.6(16) . . . . ?
Ag0W S029 C047 C09K -55.4(17) . . . . ?
Ag0W S029 C047 C0B1 60.1(16) . . . . ?
Ag0W S029 C047 C0B5 -175.5(15) . . . . ?
Ag0X S024 C04X C05M 77.2(13) . . . . ?
Ag0X S024 C04X C07M -45.5(15) . . . . ?
Ag0X S024 C04X C07S -166.6(11) . . . . ?
Ag0X S026 C035 C034 54.3(14) . . . . ?
Ag0X S026 C035 C03K -65.3(14) . . . . ?
Ag0X S026 C035 C05U 176.7(11) . . . . ?
Ag0Y S021 C03D C06S -16.4(19) . . . . ?
Ag0Y S021 C03D C07Z -140.0(14) . . . . ?
Ag0Y S021 C03D C09A 108.8(16) . . . . ?
Ag0Y S022 C02Q C03C -52.6(14) . . . . ?
Ag0Y S022 C02Q C03H 65.4(13) . . . . ?
Ag0Y S022 C02Q C04A -173.5(10) . . . . ?
Ag0Y S027 C03S C08C 16.8(19) . . . . ?
Ag0Y S027 C03S C08W 140.6(16) . . . . ?
Ag0Y S027 C03S C09I -107.0(15) . . . . ?
Ag0Z S01Z C03I C0B9 54.3(8) . . . . ?
Ag0Z S01Z C03I C0BK 169.8(7) . . . . ?
Ag0Z S01Z C03I C0BN -68.3(8) . . . . ?
Ag0Z S021 C03D C06S 76.4(18) . . . . ?
Ag0Z S021 C03D C07Z -47.2(17) . . . . ?
Ag0Z S021 C03D C09A -158.4(15) . . . . ?
Ag0Z S022 C02Q C03C 174.2(10) . . . . ?
Ag0Z S022 C02Q C03H -67.7(13) . . . . ?
Ag0Z S022 C02Q C04A 53.4(14) . . . . ?
Ag10 S027 C03S C08C -62.7(18) . . . . ?
Ag10 S027 C03S C08W 61.1(18) . . . . ?
Ag10 S027 C03S C09I 173.5(13) . . . . ?
Ag10 S02B C03P C040 -162.6(12) . . . . ?
Ag10 S02B C03P C05B -40.5(15) . . . . ?
Ag10 S02B C03P C06N 78.8(14) . . . . ?
Ag11 S023 C03Y C05K -60.5(15) . . . . ?
Ag11 S023 C03Y C06I 179.9(12) . . . . ?
Ag11 S023 C03Y C06P 59.9(16) . . . . ?
Ag11 S02F C04P C093 -167.2(15) . . . . ?
Ag11 S02F C04P C0AA -45(2) . . . . ?
Ag11 S02F C04P C0AL 74(2) . . . . ?
Ag12 S020 C044 C086 179.2(13) . . . . ?
Ag12 S020 C044 C08Y -59.9(16) . . . . ?
Ag12 S020 C044 C092 61.1(16) . . . . ?
Ag12 S02B C03P C040 -63.4(14) . . . . ?
Ag12 S02B C03P C05B 58.7(15) . . . . ?
Ag12 S02B C03P C06N 178.0(13) . . . . ?
Ag13 S01Y C02O C03A 65.5(12) . . . . ?
Ag13 S01Y C02O C04T -174.0(11) . . . . ?
Ag13 S01Y C02O C067 -52.3(12) . . . . ?
Ag13 S023 C03Y C05K 61.1(17) . . . . ?
Ag13 S023 C03Y C06I -58.5(16) . . . . ?
Ag13 S023 C03Y C06P -178.4(11) . . . . ?
Ag13 S024 C04X C05M -118.9(12) . . . . ?
Ag13 S024 C04X C07M 118.4(13) . . . . ?
Ag13 S024 C04X C07S -2.7(14) . . . . ?
Ag14 S02A C04I C0B2 64.1(8) . . . . ?
Ag14 S02A C04I C20 -176.8(7) . . . . ?
Ag14 S02A C04I C40 -56.4(8) . . . . ?
Ag14 S02E C04M C08J 169.4(16) . . . . ?
Ag14 S02E C04M C09Y 48(2) . . . . ?
Ag14 S02E C04M C0AV -67.9(17) . . . . ?
Ag15 S028 C07P C05X 49.0(17) . . . . ?
Ag15 S028 C07P C088 170.9(11) . . . . ?
Ag15 S028 C07P C08S -74.7(14) . . . . ?
Ag15 S02A C04I C0B2 -13.2(9) . . . . ?
Ag15 S02A C04I C20 105.8(7) . . . . ?
Ag15 S02A C04I C40 -133.8(7) . . . . ?
Ag16 S021 C03D C06S -93.0(17) . . . . ?
Ag16 S021 C03D C07Z 143.4(14) . . . . ?
Ag16 S021 C03D C09A 32.2(19) . . . . ?
Ag16 S02E C04M C08J 91.0(18) . . . . ?
Ag16 S02E C04M C09Y -31(2) . . . . ?
Ag16 S02E C04M C0AV -146.3(15) . . . . ?
Ag17 S029 C047 C09K 144.9(14) . . . . ?
Ag17 S029 C047 C0B1 -99.5(15) . . . . ?
Ag17 S029 C047 C0B5 24.8(18) . . . . ?
Ag17 S02C C06F C09B -77.6(18) . . . . ?
Ag17 S02C C06F C09Q 39(2) . . . . ?
Ag17 S02C C06F C0AG 164.5(16) . . . . ?
Ag18 S027 C03S C08C -144.3(15) . . . . ?
Ag18 S027 C03S C08W -20(2) . . . . ?
Ag18 S027 C03S C09I 91.9(15) . . . . ?
Ag18 S02G C07U C069 167.9(12) . . . . ?
Ag18 S02G C07U C0A6 -73.4(13) . . . . ?
Ag18 S02G C07U C0AM 46.0(15) . . . . ?
Ag18 S02G Ag1 Ag1A -121.8(2) . . . . ?
Ag18 S02G Ag1 Ag1J -79.5(2) . . . . ?
Ag1A S020 C044 C086 -103.2(14) . . . . ?
Ag1A S020 C044 C08Y 17.7(16) . . . . ?
Ag1A S020 C044 C092 138.8(13) . . . . ?
Ag1A S02G C07U C069 30.9(14) . . . . ?
Ag1A S02G C07U C0A6 149.6(12) . . . . ?
Ag1A S02G C07U C0AM -91.1(13) . . . . ?
Ag1A S02G Ag1 Ag18 121.8(2) . . . . ?
Ag1A S02G Ag1 Ag1J 42.3(2) . . . . ?
Ag1D S01Y C02O C03A -16.9(13) . . . . ?
Ag1D S01Y C02O C04T 103.6(12) . . . . ?
Ag1D S01Y C02O C067 -134.7(10) . . . . ?
Ag1D S029 C047 C09K 65.0(16) . . . . ?
Ag1D S029 C047 C0B1 -179.5(14) . . . . ?
Ag1D S029 C047 C0B5 -55.1(18) . . . . ?
Ag1H S01X C02Z C02R -25.8(13) . . . . ?
Ag1H S01X C02Z C03F 93.9(11) . . . . ?
Ag1H S01X C02Z C05R -146.4(10) . . . . ?
Ag1H S02E C04M C08J -28(2) . . . . ?
Ag1H S02E C04M C09Y -149.7(16) . . . . ?
Ag1H S02E C04M C0AV 94.9(17) . . . . ?
Ag1H S02G C07U C069 -51.1(15) . . . . ?
Ag1H S02G C07U C0A6 67.5(13) . . . . ?
Ag1H S02G C07U C0AM -173.1(12) . . . . ?
S01N C02X C03N C038 178.8(12) . . . . ?
S01N C02X C03X C03M 178.7(11) . . . . ?
S01N C02X C052 C042 178.8(11) . . . . ?
S01O C030 C031 C03E 178.4(11) . . . . ?
S01O C030 C05I C06O 179.6(12) . . . . ?
S01P C02Y C059 C03W 178.4(14) . . . . ?
S01P C02Y C06M C085 179.3(14) . . . . ?
S01P C02Y C080 C09N -179.3(14) . . . . ?
S01Q C02P C03B C05A 179.6(11) . . . . ?
S01Q C02P C04G C03R -179.7(11) . . . . ?
S01Q C02P C054 C077 178.8(11) . . . . ?
S01R C02N C04D C082 180.0(13) . . . . ?
S01R C02N C04N C07G -178.6(12) . . . . ?
S01R C02N C05J C072 179.6(13) . . . . ?
S01S C02M C02V C055 -179.2(11) . . . . ?
S01S C02M C037 C04S 176.2(12) . . . . ?
S01S C02M C04H C043 -176.0(11) . . . . ?
S01T C02W C03Q C07D 177.2(13) . . . . ?
S01T C02W C046 C05T -177.4(12) . . . . ?
S01T C02W C07Q C07A 179.5(12) . . . . ?
S01U C036 C04Q C04O -179.3(11) . . . . ?
S01U C036 C057 C05F -179.4(12) . . . . ?
S01U C036 C05D C05Q 177.4(12) . . . . ?
S01V C03T C04Z C05G 176.9(14) . . . . ?
S01V C03T C05H C07I -177.9(13) . . . . ?
S01V C03T C07H C083 177.6(14) . . . . ?
S01W C02T C04K C081 178.1(11) . . . . ?
S01W C02T C04Y C07J 179.3(12) . . . . ?
S01W C02T C065 C058 -178.2(11) . . . . ?
S01X C02Z C03F C04E -179.0(11) . . . . ?
S01X C02Z C05R C05E -179.4(12) . . . . ?
S01Y C02O C03A C053 -177.3(11) . . . . ?
S01Y C02O C04T C049 -179.2(11) . . . . ?
S01Y C02O C067 C07X -179.9(12) . . . . ?
S01Z C03I C0B9 C0A1 176.2(9) . . . . ?
S01Z C03I C0BK C08L -179.1(10) . . . . ?
S01Z C03I C0BN C0AH -179.0(10) . . . . ?
S020 C044 C086 C09L 179.5(15) . . . . ?
S020 C044 C08Y C0AF -179.7(14) . . . . ?
S020 C044 C092 C0AT 177.6(14) . . . . ?
S021 C03D C06S C09C -178.2(17) . . . . ?
S021 C03D C07Z C091 177.3(16) . . . . ?
S021 C03D C09A C0B6 176.6(18) . . . . ?
S022 C02Q C03C C05P 179.6(13) . . . . ?
S022 C02Q C03H C048 -179.9(12) . . . . ?
S022 C02Q C04A C06B 178.1(13) . . . . ?
S023 C03Y C05K C079 -179.6(14) . . . . ?
S023 C03Y C06I C03Z -179.6(14) . . . . ?
S023 C03Y C06P C07K -176.0(16) . . . . ?
S024 C04X C05M C07V 179.1(13) . . . . ?
S024 C04X C07M C07N 178.9(13) . . . . ?
S024 C04X C07S C08K -175.5(12) . . . . ?
S025 C03L C05L C08G 176.5(14) . . . . ?
S025 C03L C064 C07E -179.9(14) . . . . ?
S025 C03L C07W C07O -178.6(14) . . . . ?
S026 C035 C03K C08B 176.8(12) . . . . ?
S026 C035 C05U C06Q -179.6(13) . . . . ?
S027 C03S C08C C08R -178.6(15) . . . . ?
S027 C03S C08W C08U 178.2(17) . . . . ?
S027 C03S C09I C099 174.3(15) . . . . ?
S028 C07P C088 C076 178.7(14) . . . . ?
S028 C07P C08S C087 -177.5(14) . . . . ?
S029 C047 C09K C0A7 178.1(16) . . . . ?
S029 C047 C0B1 C181 -178.4(16) . . . . ?
S029 C047 C0B5 C09R -175.9(16) . . . . ?
S02A C04I C0B2 C09U 179.8(10) . . . . ?
S02A C04I C20 C0A0 179.2(10) . . . . ?
S02A C04I C40 C112 -177.8(10) . . . . ?
S02B C03P C040 C06D -177.4(14) . . . . ?
S02B C03P C05B C07B 178.4(13) . . . . ?
S02B C03P C06N C08H 177.6(14) . . . . ?
S02C C06F C09B C0AN -176.9(18) . . . . ?
S02C C06F C09Q C09F 178.8(19) . . . . ?
S02C C06F C0AG C124 -177.2(18) . . . . ?
S02D C04C C04J C05Z -180.0(12) . . . . ?
S02D C04C C04W C06H -179.6(11) . . . . ?
S02D C04C C05S C070 -178.1(12) . . . . ?
S02E C04M C08J C08O 174.7(17) . . . . ?
S02E C04M C09Y C09M -174.6(17) . . . . ?
S02E C04M C0AV C0AU 179.6(16) . . . . ?
S02F C04P C093 C0AX -180(2) . . . . ?
S02F C04P C0AA C09Z -178.4(18) . . . . ?
S02F C04P C0AL C09D -175.6(17) . . . . ?
S02G C07U C0A6 C09G -179.2(14) . . . . ?
S02G C07U C0AM C0AO -174.7(13) . . . . ?
C02M C02V C055 C03V 58.3(17) . . . . ?
C02M C02V C055 C05C -61.2(18) . . . . ?
C02M C037 C04S C05C 59.3(18) . . . . ?
C02M C037 C04S C05Y -58.3(18) . . . . ?
C02N C04D C082 C08M -60.7(19) . . . . ?
C02N C04D C082 C08V 59(2) . . . . ?
C02N C04N C07G C08F -62(2) . . . . ?
C02N C04N C07G C08M 57(2) . . . . ?
C02N C05J C072 C08F 63.1(19) . . . . ?
C02N C05J C072 C08V -59(2) . . . . ?
C02O C03A C053 C04B 58.2(18) . . . . ?
C02O C03A C053 C04U -60.8(17) . . . . ?
C02O C067 C07X C04B -62.5(18) . . . . ?
C02O C067 C07X C06E 58.2(19) . . . . ?
C02P C03B C05A C041 60.2(18) . . . . ?
C02P C03B C05A C06J -59.4(18) . . . . ?
C02P C054 C077 C05V -58.7(19) . . . . ?
C02P C054 C077 C06J 63.9(18) . . . . ?
C02Q C03C C05P C04L 61(2) . . . . ?
C02Q C03C C05P C071 -61(2) . . . . ?
C02Q C03H C048 C071 62.9(19) . . . . ?
C02Q C03H C048 C073 -59.7(19) . . . . ?
C02Q C04A C06B C04L -55(2) . . . . ?
C02Q C04A C06B C073 60(2) . . . . ?
C02R C02Z C03F C04E -60.7(18) . . . . ?
C02R C02Z C05R C05E 61.4(18) . . . . ?
C02R C045 C04F C04E 56.9(19) . . . . ?
C02R C045 C056 C05E -56.2(19) . . . . ?
C02S C030 C031 C03E 59.5(17) . . . . ?
C02S C030 C05I C06O -58.8(18) . . . . ?
C02S C039 C03J C03E -60.3(18) . . . . ?
C02S C039 C04V C06O 61.0(18) . . . . ?
C02T C04K C081 C075 -60.0(19) . . . . ?
C02T C04K C081 C07C 60.4(18) . . . . ?
C02T C04Y C07J C07C -57.2(19) . . . . ?
C02T C04Y C07J C08P 56.5(19) . . . . ?
C02V C02M C037 C04S -60.4(18) . . . . ?
C02V C02M C04H C043 60.7(18) . . . . ?
C02V C055 C05C C04S 61.5(18) . . . . ?
C02W C03Q C07D C074 59(2) . . . . ?
C02W C03Q C07D C07L -58(2) . . . . ?
C02W C046 C05T C063 58(2) . . . . ?
C02W C046 C05T C074 -59(2) . . . . ?
C02Y C06M C085 C07Y -55(2) . . . . ?
C02Y C06M C085 C098 64(2) . . . . ?
C02Y C080 C09N C06R 56(2) . . . . ?
C02Y C080 C09N C098 -61(2) . . . . ?
C02Z C02R C045 C04F -58.1(18) . . . . ?
C02Z C02R C045 C056 56(2) . . . . ?
C02Z C03F C04E C04F 58.1(19) . . . . ?
C02Z C03F C04E C06Z -62.3(19) . . . . ?
C030 C02S C039 C03J 60.4(17) . . . . ?
C030 C02S C039 C04V -60.7(18) . . . . ?
C030 C031 C03E C03J -59.5(18) . . . . ?
C030 C031 C03E C06Y 59.8(18) . . . . ?
C030 C05I C06O C04V 60.2(19) . . . . ?
C030 C05I C06O C06Y -60.2(18) . . . . ?
C031 C030 C05I C06O 59.3(18) . . . . ?
C031 C03E C03J C039 58.9(18) . . . . ?
C031 C03E C06Y C06O -60.8(18) . . . . ?
C033 C038 C03N C02X 60.0(18) . . . . ?
C033 C038 C06A C03M -55.0(18) . . . . ?
C033 C042 C052 C02X -59.4(18) . . . . ?
C034 C035 C03K C08B 59(2) . . . . ?
C034 C035 C05U C06Q -60(2) . . . . ?
C034 C04R C06T C06Q 57(2) . . . . ?
C034 C04R C08Q C08B -65(2) . . . . ?
C035 C034 C04R C06T -59(2) . . . . ?
C035 C034 C04R C08Q 62(2) . . . . ?
C035 C03K C08B C08A 63(2) . . . . ?
C035 C03K C08B C08Q -60(2) . . . . ?
C035 C05U C06Q C06T 59(2) . . . . ?
C035 C05U C06Q C08A -59(2) . . . . ?
C036 C057 C05F C05N 59.0(19) . . . . ?
C036 C057 C05F C06K -60.2(19) . . . . ?
C036 C05D C05Q C03G -58.5(18) . . . . ?
C036 C05D C05Q C06K 61.8(19) . . . . ?
C037 C02M C02V C055 58.9(17) . . . . ?
C037 C02M C04H C043 -56.9(17) . . . . ?
C037 C04S C05C C055 -60.4(18) . . . . ?
C037 C04S C05Y C043 59.2(19) . . . . ?
C038 C033 C042 C03U -58.2(19) . . . . ?
C038 C033 C042 C052 61.7(18) . . . . ?
C039 C02S C030 S01O -178.4(11) . . . . ?
C039 C02S C030 C031 -60.0(17) . . . . ?
C039 C02S C030 C05I 58.7(17) . . . . ?
C039 C04V C06O C05I -60.0(18) . . . . ?
C039 C04V C06O C06Y 58.9(18) . . . . ?
C03A C02O C04T C049 -59.8(18) . . . . ?
C03A C02O C067 C07X 63.1(17) . . . . ?
C03B C02P C04G C03R 60.7(17) . . . . ?
C03B C02P C054 C077 -62.6(17) . . . . ?
C03B C05A C06J C077 59.9(18) . . . . ?
C03C C02Q C03H C048 -61.7(19) . . . . ?
C03C C02Q C04A C06B 58(2) . . . . ?
C03C C05P C071 C048 61(2) . . . . ?
C03D C06S C09C C068 60(3) . . . . ?
C03D C06S C09C C0A3 -57(3) . . . . ?
C03D C07Z C091 C068 -56(3) . . . . ?
C03D C07Z C091 C08N 66(3) . . . . ?
C03D C09A C0B6 C08N -57(3) . . . . ?
C03D C09A C0B6 C0A3 58(3) . . . . ?
C03F C02Z C05R C05E -59.8(18) . . . . ?
C03F C04E C04F C045 -58(2) . . . . ?
C03F C04E C06Z C05E 61.8(18) . . . . ?
C03G C04O C04Q C036 64.1(19) . . . . ?
C03G C04O C05N C05F -60(2) . . . . ?
C03G C05Q C06K C05F 60.3(18) . . . . ?
C03H C02Q C03C C05P 62(2) . . . . ?
C03H C02Q C04A C06B -62(2) . . . . ?
C03H C048 C071 C05P -61(2) . . . . ?
C03H C048 C073 C06B 59.3(19) . . . . ?
C03J C039 C04V C06O -59.6(18) . . . . ?
C03J C03E C06Y C06O 57.9(18) . . . . ?
C03K C035 C05U C06Q 63(2) . . . . ?
C03K C08B C08Q C04R 66(2) . . . . ?
C03L C05L C08G C089 62(2) . . . . ?
C03L C05L C08G C097 -57(2) . . . . ?
C03L C064 C07E C089 -58(2) . . . . ?
C03L C064 C07E C08E 58(2) . . . . ?
C03M C03U C042 C033 57.7(19) . . . . ?
C03M C03U C042 C052 -62.5(18) . . . . ?
C03N C02X C03X C03M -62.0(17) . . . . ?
C03N C02X C052 C042 59.4(17) . . . . ?
C03N C038 C06A C03M 61.3(19) . . . . ?
C03P C040 C06D C062 -59(2) . . . . ?
C03P C040 C06D C0AE 61(2) . . . . ?
C03P C05B C07B C062 58(2) . . . . ?
C03P C05B C07B C084 -57(2) . . . . ?
C03P C06N C08H C084 59(2) . . . . ?
C03P C06N C08H C0AE -59(2) . . . . ?
C03Q C02W C046 C05T 63.7(19) . . . . ?
C03Q C02W C07Q C07A -63.3(18) . . . . ?
C03Q C07D C07L C07A 61(2) . . . . ?
C03R C041 C05A C03B -62.0(18) . . . . ?
C03R C041 C05A C06J 56.6(18) . . . . ?
C03R C05V C077 C054 60.7(19) . . . . ?
C03R C05V C077 C06J -60.5(19) . . . . ?
C03S C08C C08R C08X 62(3) . . . . ?
C03S C08C C08R C0A9 -60(3) . . . . ?
C03T C04Z C05G C061 62(2) . . . . ?
C03T C04Z C05G C06U -56(2) . . . . ?
C03T C05H C07I C061 -58(2) . . . . ?
C03T C05H C07I C08D 61(2) . . . . ?
C03T C07H C083 C06U 61(2) . . . . ?
C03T C07H C083 C08D -61(2) . . . . ?
C03U C03M C03X C02X -57.0(18) . . . . ?
C03U C03M C06A C038 56.0(19) . . . . ?
C03U C042 C052 C02X 61.6(17) . . . . ?
C03V C043 C04H C02M -60.3(18) . . . . ?
C03V C043 C05Y C04S 58.6(19) . . . . ?
C03V C055 C05C C04S -58.7(18) . . . . ?
C03W C06R C09N C080 -55(2) . . . . ?
C03W C06R C09N C098 59(2) . . . . ?
C03W C07Y C085 C06M 58(2) . . . . ?
C03W C07Y C085 C098 -59(2) . . . . ?
C03X C02X C03N C038 58.9(18) . . . . ?
C03X C02X C052 C042 -60.5(16) . . . . ?
C03X C03M C03U C042 59.5(18) . . . . ?
C03X C03M C06A C038 -63.2(17) . . . . ?
C03Y C05K C079 C07F 59(2) . . . . ?
C03Y C05K C079 C08I -59(2) . . . . ?
C03Y C06P C07K C06L -59(2) . . . . ?
C03Y C06P C07K C08I 53(3) . . . . ?
C03Z C06L C07K C06P 54(2) . . . . ?
C03Z C06L C07K C08I -62(2) . . . . ?
C040 C03P C05B C07B -61(2) . . . . ?
C040 C03P C06N C08H 61(2) . . . . ?
C040 C06D C0AE C08H -61(2) . . . . ?
C041 C03R C04G C02P -60.5(18) . . . . ?
C041 C03R C05V C077 56.8(19) . . . . ?
C041 C05A C06J C077 -57.5(18) . . . . ?
C042 C033 C038 C03N -60.2(18) . . . . ?
C042 C033 C038 C06A 57.2(18) . . . . ?
C043 C03V C055 C02V -60.6(18) . . . . ?
C043 C03V C055 C05C 59.4(18) . . . . ?
C044 C086 C09L C09E 60(2) . . . . ?
C044 C086 C09L C0AP -54(2) . . . . ?
C044 C08Y C0AF C0A5 -59(2) . . . . ?
C044 C08Y C0AF C0AP 59(2) . . . . ?
C044 C092 C0AT C09E -60(2) . . . . ?
C044 C092 C0AT C0A5 60(2) . . . . ?
C045 C02R C02Z S01X -178.5(12) . . . . ?
C045 C02R C02Z C03F 62.7(19) . . . . ?
C045 C02R C02Z C05R -57.7(18) . . . . ?
C045 C056 C05E C05R 60.3(18) . . . . ?
C045 C056 C05E C06Z -61.8(18) . . . . ?
C046 C02W C03Q C07D -63(2) . . . . ?
C046 C02W C07Q C07A 61.4(19) . . . . ?
C046 C05T C063 C07A -61(2) . . . . ?
C046 C05T C074 C07D 58(2) . . . . ?
C047 C09K C0A7 C096 56(3) . . . . ?
C047 C09K C0A7 C92 -61(3) . . . . ?
C047 C0B1 C181 C0B4 -59(3) . . . . ?
C047 C0B1 C181 C92 60(3) . . . . ?
C049 C04U C053 C03A 63.4(18) . . . . ?
C049 C04U C053 C04B -55.3(18) . . . . ?
C049 C06E C07X C04B 56.0(18) . . . . ?
C049 C06E C07X C067 -62.6(18) . . . . ?
C04A C02Q C03C C05P -59(2) . . . . ?
C04A C02Q C03H C048 59.4(19) . . . . ?
C04A C06B C073 C048 -57.1(19) . . . . ?
C04C C04J C05Z C066 -56.8(19) . . . . ?
C04C C04J C05Z C06V 61(2) . . . . ?
C04C C04W C06H C066 56.5(19) . . . . ?
C04C C04W C06H C07R -60.9(19) . . . . ?
C04C C05S C070 C06V -60.8(19) . . . . ?
C04C C05S C070 C07R 58.5(19) . . . . ?
C04D C02N C04N C07G -59(2) . . . . ?
C04D C02N C05J C072 58(2) . . . . ?
C04D C082 C08M C07G 63(2) . . . . ?
C04D C082 C08V C072 -62(2) . . . . ?
C04F C045 C056 C05E 58.8(16) . . . . ?
C04F C04E C06Z C05E -59.2(17) . . . . ?
C04G C02P C03B C05A -60.5(17) . . . . ?
C04G C02P C054 C077 57.7(17) . . . . ?
C04G C03R C041 C05A 63.0(18) . . . . ?
C04G C03R C05V C077 -60.2(19) . . . . ?
C04H C02M C02V C055 -57.5(17) . . . . ?
C04H C02M C037 C04S 57.3(18) . . . . ?
C04H C043 C05Y C04S -59.4(19) . . . . ?
C04I C40 C112 C09P -61.5(7) . . . . ?
C04I C40 C112 C14 59.6(7) . . . . ?
C04J C04C C04W C06H -55.4(19) . . . . ?
C04J C04C C05S C070 60.5(18) . . . . ?
C04J C05Z C066 C06H 60.5(19) . . . . ?
C04J C05Z C06V C070 -60(2) . . . . ?
C04K C02T C04Y C07J 60.0(18) . . . . ?
C04K C02T C065 C058 -58.4(19) . . . . ?
C04L C05P C071 C048 -62.6(19) . . . . ?
C04L C06B C073 C048 61.3(18) . . . . ?
C04M C08J C08O C09H -54(3) . . . . ?
C04M C08J C08O C09X 63(3) . . . . ?
C04N C02N C04D C082 60(2) . . . . ?
C04N C02N C05J C072 -62.7(18) . . . . ?
C04N C07G C08F C072 62.7(19) . . . . ?
C04N C07G C08M C082 -61(2) . . . . ?
C04O C03G C05Q C05D 60.2(18) . . . . ?
C04O C03G C05Q C06K -60.1(18) . . . . ?
C04P C093 C0AX C094 -58(3) . . . . ?
C04P C093 C0AX C0B3 58(3) . . . . ?
C04Q C036 C057 C05F -58.7(19) . . . . ?
C04Q C036 C05D C05Q 60.4(17) . . . . ?
C04Q C04O C05N C05F 60.4(19) . . . . ?
C04R C034 C035 S026 179.9(12) . . . . ?
C04R C034 C035 C03K -63(2) . . . . ?
C04R C034 C035 C05U 58(2) . . . . ?
C04T C02O C03A C053 61.5(18) . . . . ?
C04T C02O C067 C07X -58.2(18) . . . . ?
C04T C049 C04U C053 -62.6(19) . . . . ?
C04T C049 C06E C07X 63.8(17) . . . . ?
C04U C049 C04T C02O 61.2(19) . . . . ?
C04U C049 C06E C07X -57.0(18) . . . . ?
C04V C039 C03J C03E 61.0(18) . . . . ?
C04V C06O C06Y C03E -58.3(18) . . . . ?
C04W C04C C04J C05Z 57.5(19) . . . . ?
C04W C04C C05S C070 -59.9(19) . . . . ?
C04W C06H C07R C070 61(2) . . . . ?
C04X C05M C07V C060 -64(2) . . . . ?
C04X C05M C07V C09J 58(2) . . . . ?
C04X C07M C07N C06G 59(2) . . . . ?
C04X C07M C07N C09J -56(2) . . . . ?
C04X C07S C08K C060 60(2) . . . . ?
C04X C07S C08K C06G -62(2) . . . . ?
C04Y C02T C04K C081 -61.7(18) . . . . ?
C04Y C02T C065 C058 60.0(18) . . . . ?
C04Y C07J C08P C058 -61(2) . . . . ?
C04Z C03T C05H C07I 59.1(19) . . . . ?
C04Z C03T C07H C083 -59(2) . . . . ?
C04Z C05G C061 C07I -61(2) . . . . ?
C04Z C05G C06U C083 57(2) . . . . ?
C052 C02X C03N C038 -61.7(18) . . . . ?
C052 C02X C03X C03M 58.3(17) . . . . ?
C053 C04B C07X C067 61.3(18) . . . . ?
C053 C04B C07X C06E -58.6(18) . . . . ?
C054 C02P C03B C05A 61.1(18) . . . . ?
C054 C02P C04G C03R -59.1(18) . . . . ?
C055 C03V C043 C04H 60.6(18) . . . . ?
C055 C03V C043 C05Y -59.0(19) . . . . ?
C056 C045 C04F C04E -60.9(18) . . . . ?
C056 C05E C05R C02Z -61.8(18) . . . . ?
C056 C05E C06Z C04E 59.7(17) . . . . ?
C057 C036 C04Q C04O 58.7(18) . . . . ?
C057 C036 C05D C05Q -62.3(19) . . . . ?
C057 C05F C05N C04O -61.7(19) . . . . ?
C057 C05F C06K C05Q 59(2) . . . . ?
C058 C075 C081 C04K 63.9(19) . . . . ?
C058 C075 C081 C07C -55(2) . . . . ?
C059 C02Y C06M C085 56(2) . . . . ?
C059 C02Y C080 C09N -59(2) . . . . ?
C059 C03W C06R C09N 55(2) . . . . ?
C059 C03W C07Y C085 -58(2) . . . . ?
C05A C06J C077 C054 -62.1(18) . . . . ?
C05A C06J C077 C05V 60.0(19) . . . . ?
C05B C03P C040 C06D 60(2) . . . . ?
C05B C03P C06N C08H -61(2) . . . . ?
C05B C07B C084 C08H 57(2) . . . . ?
C05C C04S C05Y C043 -58.1(18) . . . . ?
C05D C036 C04Q C04O -62.4(17) . . . . ?
C05D C036 C057 C05F 62.0(19) . . . . ?
C05D C05Q C06K C05F -59.2(19) . . . . ?
C05G C061 C07I C05H 61(2) . . . . ?
C05G C061 C07I C08D -58(2) . . . . ?
C05G C06U C083 C07H -60(2) . . . . ?
C05G C06U C083 C08D 64(2) . . . . ?
C05H C03T C04Z C05G -62(2) . . . . ?
C05H C03T C07H C083 59(2) . . . . ?
C05H C07I C08D C083 -61(2) . . . . ?
C05I C030 C031 C03E -59.3(17) . . . . ?
C05I C06O C06Y C03E 61.1(17) . . . . ?
C05J C02N C04D C082 -58(2) . . . . ?
C05J C02N C04N C07G 62.3(18) . . . . ?
C05J C072 C08F C07G -65.2(19) . . . . ?
C05J C072 C08V C082 62(2) . . . . ?
C05K C03Y C06I C03Z 61(2) . . . . ?
C05K C03Y C06P C07K -56(2) . . . . ?
C05K C079 C07F C03Z -56(2) . . . . ?
C05K C079 C08I C07K 58(2) . . . . ?
C05L C03L C064 C07E 58(2) . . . . ?
C05L C03L C07W C07O -59(2) . . . . ?
C05L C08G C097 C07O 60(2) . . . . ?
C05M C04X C07M C07N 58(2) . . . . ?
C05M C04X C07S C08K -59.0(19) . . . . ?
C05M C07V C09J C07N -60(2) . . . . ?
C05N C04O C04Q C036 -56.7(19) . . . . ?
C05N C05F C06K C05Q -60.6(18) . . . . ?
C05O C06W C078 C087 60(2) . . . . ?
C05O C076 C088 C07P 56(2) . . . . ?
C05P C04L C06B C04A 52(2) . . . . ?
C05P C04L C06B C073 -64.2(19) . . . . ?
C05Q C03G C04O C04Q -62.0(19) . . . . ?
C05Q C03G C04O C05N 56.9(19) . . . . ?
C05R C02Z C03F C04E 60.4(17) . . . . ?
C05R C05E C06Z C04E -62.0(17) . . . . ?
C05S C04C C04J C05Z -59.6(18) . . . . ?
C05S C04C C04W C06H 61.3(18) . . . . ?
C05S C070 C07R C06H -61(2) . . . . ?
C05T C063 C07A C07L -61(2) . . . . ?
C05T C063 C07A C07Q 62(2) . . . . ?
C05T C074 C07D C03Q -58(2) . . . . ?
C05T C074 C07D C07L 63(2) . . . . ?
C05U C035 C03K C08B -63.8(19) . . . . ?
C05U C06Q C06T C04R -60(2) . . . . ?
C05U C06Q C08A C08B 60(2) . . . . ?
C05V C03R C041 C05A -54.2(19) . . . . ?
C05V C03R C04G C02P 57.1(18) . . . . ?
C05X C06W C078 C087 -60(2) . . . . ?
C05X C07P C088 C076 -57(2) . . . . ?
C05X C07P C08S C087 57(2) . . . . ?
C05Y C043 C04H C02M 59.1(19) . . . . ?
C05Y C04S C05C C055 57.7(18) . . . . ?
C05Z C066 C06H C04W -59.2(19) . . . . ?
C05Z C066 C06H C07R 56(2) . . . . ?
C05Z C06V C070 C05S 59.9(19) . . . . ?
C05Z C06V C070 C07R -57.8(19) . . . . ?
C060 C07V C09J C07N 62(2) . . . . ?
C061 C05G C06U C083 -61(2) . . . . ?
C061 C07I C08D C083 57(2) . . . . ?
C062 C06D C0AE C08H 60(2) . . . . ?
C062 C07B C084 C08H -59(2) . . . . ?
C063 C05T C074 C07D -63(2) . . . . ?
C063 C07A C07L C07D 61(2) . . . . ?
C063 C07A C07Q C02W -61.2(19) . . . . ?
C064 C03L C05L C08G -60(2) . . . . ?
C064 C03L C07W C07O 58(2) . . . . ?
C064 C07E C089 C08G 60(2) . . . . ?
C064 C07E C08E C07O -60(2) . . . . ?
C065 C02T C04K C081 58.5(18) . . . . ?
C065 C02T C04Y C07J -59.9(18) . . . . ?
C065 C058 C075 C081 -63.0(19) . . . . ?
C065 C058 C08P C07J 61.3(19) . . . . ?
C066 C05Z C06V C070 57.0(19) . . . . ?
C066 C06H C07R C070 -56(2) . . . . ?
C067 C02O C03A C053 -60.5(17) . . . . ?
C067 C02O C04T C049 61.1(17) . . . . ?
C068 C09C C0A3 C0B6 -57(3) . . . . ?
C069 C07U C0A6 C09G -60(2) . . . . ?
C069 C07U C0AM C0AO 63(2) . . . . ?
C069 C08T C09V C09G 58(2) . . . . ?
C069 C08T C0BA C0AO -62(2) . . . . ?
C06A C038 C03N C02X -58.2(19) . . . . ?
C06A C03M C03U C042 -57.0(19) . . . . ?
C06A C03M C03X C02X 63.5(17) . . . . ?
C06B C04L C05P C03C -57(2) . . . . ?
C06B C04L C05P C071 65.7(19) . . . . ?
C06D C062 C07B C05B -58(2) . . . . ?
C06D C062 C07B C084 59(2) . . . . ?
C06E C049 C04T C02O -62.6(18) . . . . ?
C06E C049 C04U C053 56.4(19) . . . . ?
C06F C09B C0AN C0B8 -60(3) . . . . ?
C06F C09B C0AN C50 54(3) . . . . ?
C06F C0AG C124 C0AK 58(3) . . . . ?
C06F C0AG C124 C50 -66(3) . . . . ?
C06G C07N C09J C07V -58(2) . . . . ?
C06I C03Y C05K C079 -59(2) . . . . ?
C06I C03Y C06P C07K 62(2) . . . . ?
C06I C03Z C06L C07K -55(2) . . . . ?
C06I C03Z C07F C079 57(2) . . . . ?
C06K C05F C05N C04O 59.1(18) . . . . ?
C06L C03Z C06I C03Y 57(2) . . . . ?
C06L C03Z C07F C079 -63(2) . . . . ?
C06L C07K C08I C079 58(2) . . . . ?
C06M C02Y C059 C03W -59(2) . . . . ?
C06M C02Y C080 C09N 62(2) . . . . ?
C06M C085 C098 C09N -64(2) . . . . ?
C06N C03P C040 C06D -61(2) . . . . ?
C06N C03P C05B C07B 61(2) . . . . ?
C06N C08H C0AE C06D 60(2) . . . . ?
C06P C03Y C05K C079 59(2) . . . . ?
C06P C03Y C06I C03Z -58(2) . . . . ?
C06P C07K C08I C079 -55(3) . . . . ?
C06Q C08A C08B C03K -60(2) . . . . ?
C06Q C08A C08B C08Q 59(2) . . . . ?
C06R C03W C059 C02Y -57(2) . . . . ?
C06R C03W C07Y C085 61(2) . . . . ?
C06S C03D C07Z C091 54(3) . . . . ?
C06S C03D C09A C0B6 -58(3) . . . . ?
C06S C09C C0A3 C0B6 61(3) . . . . ?
C06T C04R C08Q C08B 55(2) . . . . ?
C06T C06Q C08A C08B -61(2) . . . . ?
C06U C05G C061 C07I 60(2) . . . . ?
C06U C083 C08D C07I -60(2) . . . . ?
C06V C05Z C066 C06H -58(2) . . . . ?
C06V C070 C07R C06H 57(2) . . . . ?
C06W C05O C076 C06X 59(2) . . . . ?
C06W C05O C076 C088 -59(2) . . . . ?
C06W C05X C07P S028 -179.1(14) . . . . ?
C06W C05X C07P C088 58(2) . . . . ?
C06W C05X C07P C08S -56(2) . . . . ?
C06W C078 C087 C06X -60(2) . . . . ?
C06W C078 C087 C08S 60(2) . . . . ?
C06X C076 C088 C07P -63(2) . . . . ?
C06X C087 C08S C07P 62(2) . . . . ?
C06Y C03E C03J C039 -59.2(18) . . . . ?
C06Z C04E C04F C045 62.1(18) . . . . ?
C06Z C05E C05R C02Z 60.4(18) . . . . ?
C071 C048 C073 C06B -62.6(19) . . . . ?
C073 C048 C071 C05P 61.3(19) . . . . ?
C074 C05T C063 C07A 59(2) . . . . ?
C074 C07D C07L C07A -59.1(19) . . . . ?
C075 C058 C065 C02T 59.8(18) . . . . ?
C075 C058 C08P C07J -55(2) . . . . ?
C076 C05O C06W C05X 61(2) . . . . ?
C076 C05O C06W C078 -61(2) . . . . ?
C076 C06X C087 C078 59(2) . . . . ?
C076 C06X C087 C08S -61(2) . . . . ?
C078 C087 C08S C07P -58(2) . . . . ?
C07B C062 C06D C040 58(2) . . . . ?
C07B C062 C06D C0AE -62(2) . . . . ?
C07B C084 C08H C06N -58(2) . . . . ?
C07B C084 C08H C0AE 60(2) . . . . ?
C07C C07J C08P C058 56(2) . . . . ?
C07E C089 C08G C05L -62(2) . . . . ?
C07E C089 C08G C097 58(2) . . . . ?
C07F C03Z C06I C03Y -59(2) . . . . ?
C07F C03Z C06L C07K 64(2) . . . . ?
C07F C079 C08I C07K -61(2) . . . . ?
C07H C03T C04Z C05G 56(2) . . . . ?
C07H C03T C05H C07I -61(2) . . . . ?
C07H C083 C08D C07I 61(2) . . . . ?
C07J C07C C081 C04K -57.3(19) . . . . ?
C07J C07C C081 C075 62(2) . . . . ?
C07L C07A C07Q C02W 64(2) . . . . ?
C07M C04X C05M C07V -57(2) . . . . ?
C07M C04X C07S C08K 61.1(19) . . . . ?
C07M C07N C09J C07V 59(2) . . . . ?
C07N C06G C08K C060 -60(2) . . . . ?
C07N C06G C08K C07S 61(2) . . . . ?
C07P C05X C06W C05O -61(2) . . . . ?
C07P C05X C06W C078 61(2) . . . . ?
C07Q C02W C03Q C07D 60.9(19) . . . . ?
C07Q C02W C046 C05T -60.9(19) . . . . ?
C07Q C07A C07L C07D -62(2) . . . . ?
C07S C04X C05M C07V 61.2(19) . . . . ?
C07S C04X C07M C07N -60(2) . . . . ?
C07U S02G Ag1 Ag18 -121.6(8) . . . . ?
C07U S02G Ag1 Ag1A 116.7(8) . . . . ?
C07U S02G Ag1 Ag1J 159.0(7) . . . . ?
C07U C069 C08T C09V -60(2) . . . . ?
C07U C069 C08T C0BA 58(2) . . . . ?
C07U C0AM C0AO C0AJ 61(2) . . . . ?
C07U C0AM C0AO C0BA -66(2) . . . . ?
C07V C060 C08K C06G 59(2) . . . . ?
C07V C060 C08K C07S -61(2) . . . . ?
C07W C03L C05L C08G 58(2) . . . . ?
C07W C03L C064 C07E -58(2) . . . . ?
C07W C07O C08E C07E 60(2) . . . . ?
C07W C07O C097 C08G -62(2) . . . . ?
C07X C04B C053 C03A -60.6(18) . . . . ?
C07X C04B C053 C04U 57.1(17) . . . . ?
C07Y C03W C059 C02Y 60(2) . . . . ?
C07Y C03W C06R C09N -62(2) . . . . ?
C07Y C085 C098 C09N 56(2) . . . . ?
C07Z C03D C06S C09C -55(3) . . . . ?
C07Z C03D C09A C0B6 60(3) . . . . ?
C080 C02Y C059 C03W 60(2) . . . . ?
C080 C02Y C06M C085 -64(2) . . . . ?
C081 C07C C07J C04Y 56(2) . . . . ?
C081 C07C C07J C08P -58.9(19) . . . . ?
C084 C08H C0AE C06D -58(2) . . . . ?
C085 C098 C09N C06R -55(2) . . . . ?
C085 C098 C09N C080 64(2) . . . . ?
C086 C044 C08Y C0AF -60(2) . . . . ?
C086 C044 C092 C0AT 59(2) . . . . ?
C086 C09L C0AP C0AF 60(3) . . . . ?
C087 C06X C076 C05O -59(2) . . . . ?
C087 C06X C076 C088 60(2) . . . . ?
C088 C07P C08S C087 -60(2) . . . . ?
C089 C07E C08E C07O 57(2) . . . . ?
C089 C08G C097 C07O -59(2) . . . . ?
C08A C06Q C06T C04R 60.7(19) . . . . ?
C08A C08B C08Q C04R -53(2) . . . . ?
C08C C03S C08W C08U -56(3) . . . . ?
C08C C03S C09I C099 52(2) . . . . ?
C08C C08R C08X C099 -69(3) . . . . ?
C08C C08R C0A9 C08U 66(3) . . . . ?
C08E C07E C089 C08G -58(2) . . . . ?
C08E C07O C07W C03L -58(2) . . . . ?
C08E C07O C097 C08G 60(2) . . . . ?
C08F C072 C08V C082 -56(2) . . . . ?
C08F C07G C08M C082 55(2) . . . . ?
C08I C079 C07F C03Z 60(2) . . . . ?
C08J C04M C09Y C09M 61(3) . . . . ?
C08J C04M C0AV C0AU -57(3) . . . . ?
C08J C08O C09H C0AU 58(3) . . . . ?
C08J C08O C09X C09M -68(3) . . . . ?
C08K C060 C07V C05M 62(2) . . . . ?
C08K C060 C07V C09J -60(2) . . . . ?
C08K C06G C07N C07M -60(2) . . . . ?
C08K C06G C07N C09J 56(2) . . . . ?
C08L C08Z C0AH C0AC 58.7(10) . . . . ?
C08L C08Z C0AH C0BN -61.6(10) . . . . ?
C08L C090 C0A1 C0AC -56.9(9) . . . . ?
C08L C090 C0A1 C0B9 60.1(8) . . . . ?
C08M C07G C08F C072 -54(2) . . . . ?
C08M C082 C08V C072 55(2) . . . . ?
C08O C09H C0AU C0AV -59(3) . . . . ?
C08O C09H C0AU C0BH 57(3) . . . . ?
C08P C058 C065 C02T -60.6(19) . . . . ?
C08P C058 C075 C081 53(2) . . . . ?
C08Q C04R C06T C06Q -59(2) . . . . ?
C08R C08X C099 C09I 67(3) . . . . ?
C08R C08X C099 C0AD -42(3) . . . . ?
C08S C07P C088 C076 61(2) . . . . ?
C08T C069 C07U S02G 178.6(13) . . . . ?
C08T C069 C07U C0A6 62(2) . . . . ?
C08T C069 C07U C0AM -58(2) . . . . ?
C08V C072 C08F C07G 55(2) . . . . ?
C08V C082 C08M C07G -55(2) . . . . ?
C08W C03S C08C C08R 56(3) . . . . ?
C08W C03S C09I C099 -68(2) . . . . ?
C08W C08U C0A9 C08R -65(3) . . . . ?
C08W C08U C0AD C099 68(3) . . . . ?
C08X C08R C0A9 C08U -47(3) . . . . ?
C08X C099 C09I C03S -52(3) . . . . ?
C08X C099 C0AD C08U 45(3) . . . . ?
C08Y C044 C086 C09L 59(2) . . . . ?
C08Y C044 C092 C0AT -62(2) . . . . ?
C08Y C0AF C0AP C09L -62(3) . . . . ?
C08Z C08L C090 C0A1 58.5(8) . . . . ?
C08Z C08L C0BK C03I -57.4(10) . . . . ?
C08Z C0AH C0BN C03I 61.1(10) . . . . ?
C090 C08L C08Z C0AH -58.6(9) . . . . ?
C090 C08L C0BK C03I 62.9(9) . . . . ?
C090 C0A1 C0AC C0AH 56.9(9) . . . . ?
C090 C0A1 C0B9 C03I -59.7(8) . . . . ?
C091 C068 C09C C06S -61(3) . . . . ?
C091 C068 C09C C0A3 55(3) . . . . ?
C091 C08N C0B6 C09A 55(3) . . . . ?
C091 C08N C0B6 C0A3 -60(3) . . . . ?
C092 C044 C086 C09L -60(2) . . . . ?
C092 C044 C08Y C0AF 59(2) . . . . ?
C093 C04P C0AA C09Z -52(3) . . . . ?
C093 C04P C0AL C09D 60(3) . . . . ?
C093 C0AX C0B3 C09D -70(3) . . . . ?
C094 C09Z C0AA C04P 58(3) . . . . ?
C094 C0AX C0B3 C09D 44(3) . . . . ?
C096 C09R C0B4 C181 53(3) . . . . ?
C096 C09R C0B5 C047 -64(3) . . . . ?
C096 C0A7 C92 C181 -54(3) . . . . ?
C097 C07O C07W C03L 63(2) . . . . ?
C097 C07O C08E C07E -61(2) . . . . ?
C09A C03D C06S C09C 57(3) . . . . ?
C09A C03D C07Z C091 -65(2) . . . . ?
C09B C06F C09Q C09F -64(3) . . . . ?
C09B C06F C0AG C124 66(3) . . . . ?
C09B C0AN C0B8 C09F 57(3) . . . . ?
C09B C0AN C50 C124 -59(3) . . . . ?
C09C C068 C091 C07Z 61(3) . . . . ?
C09C C068 C091 C08N -59(3) . . . . ?
C09C C0A3 C0B6 C08N 57(3) . . . . ?
C09C C0A3 C0B6 C09A -61(3) . . . . ?
C09D C09T C09Z C094 -54(3) . . . . ?
C09D C09T C09Z C0AA 63(3) . . . . ?
C09E C09L C0AP C0AF -51(3) . . . . ?
C09F C0AK C124 C0AG -66(3) . . . . ?
C09F C0AK C124 C50 52(3) . . . . ?
C09G C0AJ C0AO C0AM -66(2) . . . . ?
C09G C0AJ C0AO C0BA 55(2) . . . . ?
C09H C08O C09X C09M 51(3) . . . . ?
C09H C0AU C0AV C04M 57(3) . . . . ?
C09H C0AU C0BH C09M -55(3) . . . . ?
C09I C03S C08C C08R -61(3) . . . . ?
C09I C03S C08W C08U 66(2) . . . . ?
C09I C099 C0AD C08U -71(3) . . . . ?
C09K C047 C0B1 C181 -60(2) . . . . ?
C09K C047 C0B5 C09R 63(3) . . . . ?
C09K C0A7 C92 C181 62(2) . . . . ?
C09L C09E C0AT C092 62(2) . . . . ?
C09L C09E C0AT C0A5 -51(3) . . . . ?
C09P C09U C0B2 C04I 59.2(8) . . . . ?
C09P C09U C65 C0A0 -59.4(7) . . . . ?
C09Q C06F C09B C0AN 62(3) . . . . ?
C09Q C06F C0AG C124 -51(3) . . . . ?
C09Q C09F C0AK C124 64(3) . . . . ?
C09Q C09F C0B8 C0AN -57(3) . . . . ?
C09R C096 C0A7 C09K -59(3) . . . . ?
C09R C096 C0A7 C92 56(3) . . . . ?
C09R C0B4 C181 C0B1 63(3) . . . . ?
C09R C0B4 C181 C92 -51(3) . . . . ?
C09T C09D C0AL C04P 52(3) . . . . ?
C09T C09D C0B3 C0AX -44(3) . . . . ?
C09T C09Z C0AA C04P -64(3) . . . . ?
C09U C09P C112 C14 -59.3(7) . . . . ?
C09U C09P C112 C40 61.5(7) . . . . ?
C09V C08T C0BA C0AO 56(2) . . . . ?
C09V C09G C0A6 C07U 55(2) . . . . ?
C09V C09G C0AJ C0AO -53(2) . . . . ?
C09X C08O C09H C0AU -56(3) . . . . ?
C09X C09M C09Y C04M -61(3) . . . . ?
C09X C09M C0BH C0AU 53(3) . . . . ?
C09Y C04M C08J C08O -61(3) . . . . ?
C09Y C04M C0AV C0AU 60(3) . . . . ?
C09Y C09M C09X C08O 65(3) . . . . ?
C09Y C09M C0BH C0AU -59(3) . . . . ?
C09Z C094 C0AX C093 62(3) . . . . ?
C09Z C094 C0AX C0B3 -50(3) . . . . ?
C0A0 C14 C112 C09P 58.7(8) . . . . ?
C0A0 C14 C112 C40 -61.7(7) . . . . ?
C0A1 C0AC C0AH C08Z -58.5(9) . . . . ?
C0A1 C0AC C0AH C0BN 61.6(9) . . . . ?
C0A5 C0AF C0AP C09L 52(3) . . . . ?
C0A6 C07U C0AM C0AO -58(2) . . . . ?
C0A6 C09G C09V C08T -56(2) . . . . ?
C0A6 C09G C0AJ C0AO 65(2) . . . . ?
C0A7 C096 C09R C0B4 -56(3) . . . . ?
C0A7 C096 C09R C0B5 63(3) . . . . ?
C0A7 C92 C181 C0B1 -61(2) . . . . ?
C0A7 C92 C181 C0B4 52(3) . . . . ?
C0A9 C08R C08X C099 45(3) . . . . ?
C0A9 C08U C08W C03S 56(3) . . . . ?
C0A9 C08U C0AD C099 -45(3) . . . . ?
C0AA C04P C093 C0AX 54(3) . . . . ?
C0AA C04P C0AL C09D -51(3) . . . . ?
C0AC C0A1 C0B9 C03I 58.5(8) . . . . ?
C0AC C0AH C0BN C03I -60.0(9) . . . . ?
C0AD C08U C08W C03S -61(3) . . . . ?
C0AD C08U C0A9 C08R 47(3) . . . . ?
C0AD C099 C09I C03S 68(2) . . . . ?
C0AF C0A5 C0AT C092 -65(2) . . . . ?
C0AF C0A5 C0AT C09E 50(3) . . . . ?
C0AG C06F C09B C0AN -58(3) . . . . ?
C0AG C06F C09Q C09F 54(3) . . . . ?
C0AJ C09G C09V C08T 59(2) . . . . ?
C0AJ C09G C0A6 C07U -62(2) . . . . ?
C0AJ C0AO C0BA C08T -56(2) . . . . ?
C0AK C09F C09Q C06F -61(3) . . . . ?
C0AK C09F C0B8 C0AN 61(3) . . . . ?
C0AL C04P C093 C0AX -56(3) . . . . ?
C0AL C04P C0AA C09Z 57(3) . . . . ?
C0AL C09D C09T C09Z -57(3) . . . . ?
C0AL C09D C0B3 C0AX 71(2) . . . . ?
C0AM C07U C0A6 C09G 61(2) . . . . ?
C0AM C0AO C0BA C08T 66(2) . . . . ?
C0AN C50 C124 C0AG 64(3) . . . . ?
C0AN C50 C124 C0AK -58(3) . . . . ?
C0AT C09E C09L C086 -64(2) . . . . ?
C0AT C09E C09L C0AP 49(3) . . . . ?
C0AT C0A5 C0AF C08Y 66(2) . . . . ?
C0AT C0A5 C0AF C0AP -48(3) . . . . ?
C0AV C04M C08J C08O 54(3) . . . . ?
C0AV C04M C09Y C09M -58(3) . . . . ?
C0AV C0AU C0BH C09M 62(3) . . . . ?
C0AX C094 C09Z C09T 58(3) . . . . ?
C0AX C094 C09Z C0AA -62(3) . . . . ?
C0B1 C047 C09K C0A7 61(2) . . . . ?
C0B1 C047 C0B5 C09R -53(3) . . . . ?
C0B2 C04I C20 C0A0 -60.7(8) . . . . ?
C0B2 C04I C40 C112 61.1(8) . . . . ?
C0B2 C09U C65 C0A0 60.8(7) . . . . ?
C0B3 C09D C09T C09Z 49(3) . . . . ?
C0B3 C09D C0AL C04P -69(3) . . . . ?
C0B4 C09R C0B5 C047 56(3) . . . . ?
C0B5 C047 C09K C0A7 -59(3) . . . . ?
C0B5 C047 C0B1 C181 57(3) . . . . ?
C0B5 C09R C0B4 C181 -64(3) . . . . ?
C0B6 C08N C091 C068 63(3) . . . . ?
C0B6 C08N C091 C07Z -59(3) . . . . ?
C0B8 C09F C09Q C06F 61(3) . . . . ?
C0B8 C09F C0AK C124 -53(3) . . . . ?
C0B8 C0AN C50 C124 57(3) . . . . ?
C0B9 C03I C0BK C08L -62.8(9) . . . . ?
C0B9 C03I C0BN C0AH 59.3(9) . . . . ?
C0B9 C0A1 C0AC C0AH -59.9(9) . . . . ?
C0BA C08T C09V C09G -61(2) . . . . ?
C0BH C09M C09X C08O -50(3) . . . . ?
C0BH C09M C09Y C04M 57(3) . . . . ?
C0BH C0AU C0AV C04M -60(3) . . . . ?
C0BK C03I C0B9 C0A1 61.0(8) . . . . ?
C0BK C03I C0BN C0AH -59.1(10) . . . . ?
C0BK C08L C08Z C0AH 59.5(10) . . . . ?
C0BK C08L C090 C0A1 -61.4(8) . . . . ?
C0BN C03I C0B9 C0A1 -59.5(8) . . . . ?
C0BN C03I C0BK C08L 57.4(10) . . . . ?
C14 C0A0 C20 C04I -59.6(8) . . . . ?
C14 C0A0 C65 C09U 58.6(8) . . . . ?
C20 C04I C0B2 C09U 61.2(8) . . . . ?
C20 C04I C40 C112 -59.1(8) . . . . ?
C20 C0A0 C14 C112 60.6(7) . . . . ?
C20 C0A0 C65 C09U -60.1(7) . . . . ?
C40 C04I C0B2 C09U -60.0(8) . . . . ?
C40 C04I C20 C0A0 59.9(8) . . . . ?
C50 C0AN C0B8 C09F -59(3) . . . . ?
C65 C09U C0B2 C04I -61.2(8) . . . . ?
C65 C0A0 C14 C112 -58.4(8) . . . . ?
C65 C0A0 C20 C04I 60.2(8) . . . . ?
C112 C09P C09U C0B2 -60.0(8) . . . . ?
C112 C09P C09U C65 59.6(7) . . . . ?
Ag1 S02E C04M C08J -5.1(19) . . . . ?
Ag1 S02E C04M C09Y -127.0(18) . . . . ?
Ag1 S02E C04M C0AV 117.6(16) . . . . ?
Ag1 S02G C07U C069 -79.1(15) . . . . ?
Ag1 S02G C07U C0A6 39.6(16) . . . . ?
Ag1 S02G C07U C0AM 159.0(12) . . . . ?
Ag2A S01O C030 C02S -134.7(10) . . . . ?
Ag2A S01O C030 C031 107.2(11) . . . . ?
Ag2A S01O C030 C05I -13.4(15) . . . . ?
Ag2A S029 C047 C09K -70.7(18) . . . . ?
Ag2A S029 C047 C0B1 44.9(19) . . . . ?
Ag2A S029 C047 C0B5 169.3(15) . . . . ?
Ag3A S01X C02Z C02R -90.0(12) . . . . ?
Ag3A S01X C02Z C03F 29.7(13) . . . . ?
Ag3A S01X C02Z C05R 149.3(11) . . . . ?
Ag3A S020 C044 C086 -80.5(16) . . . . ?
Ag3A S020 C044 C08Y 40.4(17) . . . . ?
Ag3A S020 C044 C092 161.4(12) . . . . ?
Ag3A S02G C07U C069 10.2(15) . . . . ?
Ag3A S02G C07U C0A6 128.9(12) . . . . ?
Ag3A S02G C07U C0AM -111.8(13) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 -0.997 -0.794 -0.355 6764.8 208.0 ?
2 -0.071 0.400 0.760 17.7 0.0 ?
3 0.071 0.600 0.240 17.7 0.0 ?
4 0.089 0.710 0.338 9.8 0.0 ?
5 0.370 0.342 0.926 7.2 0.0 ?
6 0.630 0.658 0.074 7.2 0.0 ?
7 0.911 0.290 0.662 9.8 0.0 ?


_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_3_sq
_database_code_depnum_ccdc_archive 'CCDC 2301182'
loop_
_audit_author_name
_audit_author_address
'haoqi li' 'Anhui University'
_audit_update_record             
;
2023-10-13 deposited with the CCDC.	2023-12-08 downloaded from the CCDC.
;
_audit_creation_date             2022-06-01
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C284 H389 Ag52 Br4 S30'
_chemical_formula_sum            'C284 H391 Ag52 Br4 S30'
_chemical_formula_weight         10695.62
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.6763 1.2805 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           62
_space_group_name_H-M_alt        'P n m a'
_space_group_name_Hall           '-P 2ac 2n'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z'
'x+1/2, -y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z'
'-x-1/2, y-1/2, z-1/2'

_cell_length_a                   47.2631(8)
_cell_length_b                   24.0336(3)
_cell_length_c                   35.4451(4)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     40262.2(10)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    37258
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      70.53
_cell_measurement_theta_min      3.24
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    21.941
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.764
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             20636
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0770
_diffrn_reflns_av_unetI/netI     0.1173
_diffrn_reflns_Laue_measured_fraction_full 0.961
_diffrn_reflns_Laue_measured_fraction_max 0.961
_diffrn_reflns_limit_h_max       53
_diffrn_reflns_limit_h_min       -42
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            65629
_diffrn_reflns_point_group_measured_fraction_full 0.961
_diffrn_reflns_point_group_measured_fraction_max 0.961
_diffrn_reflns_theta_full        59.999
_diffrn_reflns_theta_max         59.999
_diffrn_reflns_theta_min         3.236
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.961
_diffrn_measured_fraction_theta_max 0.961
_diffrn_measurement_device_type  STOE
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                18299
_reflns_number_total             29539
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         4.849
_refine_diff_density_min         -4.044
_refine_diff_density_rms         0.431
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.096
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1756
_refine_ls_number_reflns         29539
_refine_ls_number_restraints     5070
_refine_ls_R_factor_all          0.1502
_refine_ls_R_factor_gt           0.1167
_refine_ls_restrained_S_all      1.032
_refine_ls_shift/su_max          0.002
_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          0.2971
_refine_ls_wR_factor_ref         0.3220
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2. Restrained distances
 C04O-C029 = C175-C04O = C177-C175 = C3AA-C175 = C177-C03W = C3AA-C180 = C03W-
 C030 = C030-C029 = C129-C029 = C180-C129 = C19-C180 = C19-C03W
 1.54 with sigma of 0.02
 C029-C03W
 2.54 with sigma of 0.01
 C029-C175
 2.54 with sigma of 0.01
 C029-C180
 2.54 with sigma of 0.01
 C129-C19
 2.54 with sigma of 0.01
 C129-C3AA
 2.54 with sigma of 0.01
 C129-C030
 2.54 with sigma of 0.01
 C129-C04O
 2.54 with sigma of 0.01
 C180-C03W
 2.54 with sigma of 0.01
 C180-C175
 2.54 with sigma of 0.01
 C19-C177
 2.54 with sigma of 0.01
 C19-C030
 2.54 with sigma of 0.01
 C03W-C175
 2.54 with sigma of 0.01
 C177-C3AA
 2.54 with sigma of 0.01
 C177-C04O
 2.54 with sigma of 0.01
 C04O-C3AA
 2.54 with sigma of 0.01
 C04O-C030
 2.54 with sigma of 0.01
 C029-C19
 2.93 with sigma of 0.01
 C029-C3AA
 2.93 with sigma of 0.01
 C029-C177
 2.93 with sigma of 0.01
 C129-C175
 2.93 with sigma of 0.01
 C129-C03W
 2.93 with sigma of 0.01
 C180-C030
 2.93 with sigma of 0.01
 C180-C04O
 2.93 with sigma of 0.01
 C180-C177
 2.93 with sigma of 0.01
 C19-C175
 2.93 with sigma of 0.01
 C03W-C3AA
 2.93 with sigma of 0.01
 C03W-C04O
 2.93 with sigma of 0.01
 C175-C030
 2.93 with sigma of 0.01
 C1BA-C13 = C9AA-C13 = C9AA-C29 = C9AA-C7 = C72-C7 = C4AA-C29 = C72-C0BA =
 C1BA-C0BA = C5AA-C1BA = C5AA-C4AA = C63-C4AA = C72-C63
 1.54 with sigma of 0.01
 C9AA-C4AA
 2.54 with sigma of 0.01
 C9AA-C72
 2.54 with sigma of 0.01
 C9AA-C1BA
 2.54 with sigma of 0.01
 C7-C63
 2.54 with sigma of 0.01
 C7-C0BA
 2.54 with sigma of 0.01
 C7-C29
 2.54 with sigma of 0.01
 C7-C13
 2.54 with sigma of 0.01
 C72-C1BA
 2.54 with sigma of 0.01
 C72-C4AA
 2.54 with sigma of 0.01
 C63-C5AA
 2.54 with sigma of 0.01
 C63-C0BA
 2.54 with sigma of 0.01
 C4AA-C1BA
 2.54 with sigma of 0.01
 C5AA-C0BA
 2.54 with sigma of 0.01
 C5AA-C13
 2.54 with sigma of 0.01
 C13-C29
 2.54 with sigma of 0.01
 C9AA-C0BA
 2.93 with sigma of 0.01
 C9AA-C63
 2.93 with sigma of 0.01
 C9AA-C5AA
 2.93 with sigma of 0.01
 C7-C4AA
 2.93 with sigma of 0.01
 C7-C1BA
 2.93 with sigma of 0.01
 C72-C5AA
 2.93 with sigma of 0.01
 C72-C13
 2.93 with sigma of 0.01
 C63-C1BA
 2.93 with sigma of 0.01
 C4AA-C0BA
 2.93 with sigma of 0.01
 C4AA-C13
 2.93 with sigma of 0.01
 C1BA-C29
 2.93 with sigma of 0.01
 C4BA-C03R = C4BA-C134 = C89-C134 = C74-C3BA = C151-C134 = C74-C03R = C045-
 C03R = C28-C045 = C28-C151 = C2BA-C28 = C3BA-C2BA = C89-C3BA
 1.54 with sigma of 0.01
 C03R-C3BA
 2.54 with sigma of 0.01
 C03R-C134
 2.54 with sigma of 0.01
 C03R-C28
 2.54 with sigma of 0.01
 C4BA-C89
 2.54 with sigma of 0.01
 C4BA-C74
 2.54 with sigma of 0.01
 C4BA-C151
 2.54 with sigma of 0.01
 C4BA-C045
 2.54 with sigma of 0.01
 C134-C28
 2.54 with sigma of 0.01
 C134-C3BA
 2.54 with sigma of 0.01
 C89-C74
 2.54 with sigma of 0.01
 C89-C151
 2.54 with sigma of 0.01
 C89-C2BA
 2.54 with sigma of 0.01
 C3BA-C28
 2.54 with sigma of 0.01
 C2BA-C151
 2.54 with sigma of 0.01
 C2BA-C045
 2.54 with sigma of 0.01
 C045-C74
 2.54 with sigma of 0.01
 C045-C151
 2.54 with sigma of 0.01
 C03R-C151
 2.93 with sigma of 0.01
 C03R-C89
 2.93 with sigma of 0.01
 C03R-C2BA
 2.93 with sigma of 0.01
 C4BA-C3BA
 2.93 with sigma of 0.01
 C4BA-C28
 2.93 with sigma of 0.01
 C134-C74
 2.93 with sigma of 0.01
 C134-C045
 2.93 with sigma of 0.01
 C134-C2BA
 2.93 with sigma of 0.01
 C89-C28
 2.93 with sigma of 0.01
 C3BA-C151
 2.93 with sigma of 0.01
 C3BA-C045
 2.93 with sigma of 0.01
 C28-C74
 2.93 with sigma of 0.01
 C03X-C034 = C90-C058 = C058-C034 = C158-C03X = C158-C049 = C90-C049
 1.54 with sigma of 0.01
 C034-C158
 2.54 with sigma of 0.01
 C034-C90
 2.54 with sigma of 0.01
 C03X-C049
 2.54 with sigma of 0.01
 C03X-C058
 2.54 with sigma of 0.01
 C158-C90
 2.54 with sigma of 0.01
 C049-C058
 2.54 with sigma of 0.01
 C034-C049
 2.93 with sigma of 0.01
 C03X-C90
 2.93 with sigma of 0.01
 C158-C058
 2.93 with sigma of 0.01
 C38-C101 = C101-C02Z = C109-C02Z = C2AA_$1-C109 = C75-C2AA_$1 = C2AA_$1-C281 =
  C38-C281 = C38-C281_$1 = C2AA-C281_$1 = C75-C2AA
 1.54 with sigma of 0.01
 C109-C02Z = C109_$1-C02Z = C2AA-C109_$1 = C101-C02Z = C38-C101 = C2AA_$1-C109
 = C38-C281_$1 = C38-C281 = C2AA_$1-C281 = C75-C2AA_$1 = C75-C2AA = C2AA-C281_$1
 1.54 with sigma of 0.01
 C02Z-C38
 2.54 with sigma of 0.01
 C02Z-C2AA_$1
 2.54 with sigma of 0.01
 C02Z-C2AA
 2.54 with sigma of 0.01
 C101-C281_$1
 2.54 with sigma of 0.01
 C101-C109_$1
 2.54 with sigma of 0.01
 C101-C109
 2.54 with sigma of 0.01
 C38-C2AA
 2.54 with sigma of 0.01
 C38-C2AA_$1
 2.54 with sigma of 0.01
 C281-C281_$1
 2.54 with sigma of 0.01
 C281-C75
 2.54 with sigma of 0.01
 C2AA_$1-C2AA
 2.54 with sigma of 0.01
 C75-C281_$1
 2.54 with sigma of 0.01
 C75-C109_$1
 2.54 with sigma of 0.01
 C109_$1-C109
 2.54 with sigma of 0.01
 C109_$1-C281_$1
 2.54 with sigma of 0.01
 C02Z-C281_$1
 2.93 with sigma of 0.01
 C02Z-C281
 2.93 with sigma of 0.01
 C02Z-C75
 2.93 with sigma of 0.01
 C101-C2AA_$1
 2.93 with sigma of 0.01
 C101-C2AA
 2.93 with sigma of 0.01
 C38-C109_$1
 2.93 with sigma of 0.01
 C38-C75
 2.93 with sigma of 0.01
 C38-C109
 2.93 with sigma of 0.01
 C281-C2AA
 2.93 with sigma of 0.01
 C2AA_$1-C281_$1
 2.93 with sigma of 0.01
 C2AA-C109
 2.93 with sigma of 0.01
 C65-C057 = C65-C25 = C98-C036 = C25-C036 = C036-C02E = C27-C02E = C62-C27 =
 C27-C041 = C98-C71 = C71-C057 = C65-C041 = C71-C62
 1.54 with sigma of 0.01
 C036-C27
 2.54 with sigma of 0.01
 C036-C65
 2.54 with sigma of 0.01
 C036-C71
 2.54 with sigma of 0.01
 C02E-C041
 2.54 with sigma of 0.01
 C02E-C62
 2.54 with sigma of 0.01
 C02E-C25
 2.54 with sigma of 0.01
 C27-C65
 2.54 with sigma of 0.01
 C27-C71
 2.54 with sigma of 0.01
 C62-C98
 2.54 with sigma of 0.01
 C62-C057
 2.54 with sigma of 0.01
 C71-C65
 2.54 with sigma of 0.01
 C057-C041
 2.54 with sigma of 0.01
 C057-C25
 2.54 with sigma of 0.01
 C057-C98
 2.54 with sigma of 0.01
 C25-C98
 2.54 with sigma of 0.01
 C036-C041
 2.93 with sigma of 0.01
 C036-C62
 2.93 with sigma of 0.01
 C036-C057
 2.93 with sigma of 0.01
 C02E-C71
 2.93 with sigma of 0.01
 C02E-C65
 2.93 with sigma of 0.01
 C27-C98
 2.93 with sigma of 0.01
 C27-C25
 2.93 with sigma of 0.01
 C27-C057
 2.93 with sigma of 0.01
 C62-C65
 2.93 with sigma of 0.01
 C71-C041
 2.93 with sigma of 0.01
 C71-C25
 2.93 with sigma of 0.01
 C65-C98
 2.93 with sigma of 0.01
 C26-C02I = C45-C26 = C48-C26 = C48-C32 = C45-C117 = C79-C117 = C30-C117 = C32-
 C30 = C32-C132 = C79-C039 = C132-C039 = C039-C02I
 1.54 with sigma of 0.01
 C26-C32
 2.54 with sigma of 0.01
 C26-C117
 2.54 with sigma of 0.01
 C26-C039
 2.54 with sigma of 0.01
 C45-C79
 2.54 with sigma of 0.01
 C45-C30
 2.54 with sigma of 0.01
 C45-C48
 2.54 with sigma of 0.01
 C117-C32
 2.54 with sigma of 0.01
 C117-C039
 2.54 with sigma of 0.01
 C30-C79
 2.54 with sigma of 0.01
 C30-C132
 2.54 with sigma of 0.01
 C32-C039
 2.54 with sigma of 0.01
 C132-C79
 2.54 with sigma of 0.01
 C132-C02I
 2.54 with sigma of 0.01
 C132-C48
 2.54 with sigma of 0.01
 C02I-C48
 2.54 with sigma of 0.01
 C02I-C79
 2.54 with sigma of 0.01
 C26-C30
 2.93 with sigma of 0.01
 C26-C132
 2.93 with sigma of 0.01
 C26-C79
 2.93 with sigma of 0.01
 C45-C32
 2.93 with sigma of 0.01
 C45-C039
 2.93 with sigma of 0.01
 C117-C02I
 2.93 with sigma of 0.01
 C117-C132
 2.93 with sigma of 0.01
 C117-C48
 2.93 with sigma of 0.01
 C30-C039
 2.93 with sigma of 0.01
 C32-C79
 2.93 with sigma of 0.01
 C32-C02I
 2.93 with sigma of 0.01
 C039-C48
 2.93 with sigma of 0.01
 C40-C236 = C40-C176 = C227-C176 = C251-C176 = C251-C229 = C131-C114 = C236-
 C131 = C236-C208 = C229-C208 = C229-C209 = C209-C114 = C227-C114
 1.54 with sigma of 0.01
 C176-C114
 2.54 with sigma of 0.01
 C176-C229
 2.54 with sigma of 0.01
 C176-C236
 2.54 with sigma of 0.01
 C251-C227
 2.54 with sigma of 0.01
 C251-C40
 2.54 with sigma of 0.01
 C229-C236
 2.54 with sigma of 0.01
 C229-C114
 2.54 with sigma of 0.01
 C209-C227
 2.54 with sigma of 0.01
 C209-C131
 2.54 with sigma of 0.01
 C114-C236
 2.54 with sigma of 0.01
 C131-C227
 2.54 with sigma of 0.01
 C131-C208
 2.54 with sigma of 0.01
 C131-C40
 2.54 with sigma of 0.01
 C40-C208
 2.54 with sigma of 0.01
 C40-C227
 2.54 with sigma of 0.01
 C176-C208
 2.93 with sigma of 0.01
 C176-C209
 2.93 with sigma of 0.01
 C176-C131
 2.93 with sigma of 0.01
 C251-C236
 2.93 with sigma of 0.01
 C251-C114
 2.93 with sigma of 0.01
 C229-C227
 2.93 with sigma of 0.01
 C229-C40
 2.93 with sigma of 0.01
 C229-C131
 2.93 with sigma of 0.01
 C209-C236
 2.93 with sigma of 0.01
 C114-C208
 2.93 with sigma of 0.01
 C114-C40
 2.93 with sigma of 0.01
 C236-C227
 2.93 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
C02X \\sim C037 \\sim C03V \\sim C050 \\sim C059 \\sim C35 \\sim C68 \\sim C93
\\sim C152 \\sim C116: within 3.8A with sigma of 0.01 and sigma for terminal
atoms of 0.02
C01S \\sim C020 \\sim C02B \\sim C03J \\sim C03M \\sim C6 \\sim C6AA \\sim C7AA
\\sim C3 \\sim C02F: within 3.8A with sigma of 0.01 and sigma for terminal
atoms of 0.02
C030 \\sim C03W \\sim C3AA \\sim C19 \\sim C175 \\sim C180 \\sim C129 \\sim
C177 \\sim C029 \\sim C04O: within 3.8A with sigma of 0.01 and sigma for
terminal atoms of 0.02
C01J \\sim C01O \\sim C01Q \\sim C01R \\sim C01U \\sim C01W \\sim C021 \\sim
C023 \\sim C \\sim C4: within 3.8A with sigma of 0.01 and sigma for terminal
atoms of 0.02
C7 \\sim C13 \\sim C4AA \\sim C29 \\sim C9AA \\sim C63 \\sim C72 \\sim C0BA
\\sim C1BA \\sim C5AA: within 3.8A with sigma of 0.01 and sigma for terminal
atoms of 0.02
C02G \\sim C02H \\sim C02N \\sim C02Q \\sim C03F \\sim C03N \\sim C03P \\sim
C53 \\sim C0AA \\sim C59: within 3.8A with sigma of 0.01 and sigma for terminal
atoms of 0.02
C01L \\sim C01M \\sim C01P \\sim C01Z \\sim C024 \\sim C02A \\sim C02Y \\sim
C033 \\sim C03A \\sim C03Y: within 3.8A with sigma of 0.01 and sigma for
terminal atoms of 0.02
C03R \\sim C74 \\sim C28 \\sim C2BA \\sim C3BA \\sim C89 \\sim C134 \\sim C151
\\sim C4BA \\sim C045: within 3.8A with sigma of 0.01 and sigma for terminal
atoms of 0.02
C01K \\sim C02S \\sim C02V \\sim C038 \\sim C37 \\sim C84 \\sim C192: within
3.8A with sigma of 0.01 and sigma for terminal atoms of 0.02
C01N \\sim C01Y \\sim C026 \\sim C027 \\sim C02W \\sim C11 \\sim C138: within
3.8A with sigma of 0.01 and sigma for terminal atoms of 0.02
C034 \\sim C03X \\sim C049 \\sim C058 \\sim C158 \\sim C90: within 3.8A with
sigma of 0.01 and sigma for terminal atoms of 0.02
C02Z \\sim C75 \\sim C38 \\sim C101 \\sim C281 \\sim C281 \\sim C2AA \\sim C2AA
\\sim C109 \\sim C109: within 3.8A with sigma of 0.01 and sigma for terminal
atoms of 0.02
C02E \\sim C036 \\sim C041 \\sim C057 \\sim C25 \\sim C27 \\sim C62 \\sim C65
\\sim C71 \\sim C98: within 3.8A with sigma of 0.01 and sigma for terminal
atoms of 0.02
C022 \\sim C02C \\sim C02D \\sim C032 \\sim C035 \\sim C03E \\sim C1: within
3.8A with sigma of 0.01 and sigma for terminal atoms of 0.02
C02I \\sim C039 \\sim C26 \\sim C30 \\sim C32 \\sim C45 \\sim C48 \\sim C79
\\sim C117 \\sim C132: within 3.8A with sigma of 0.01 and sigma for terminal
atoms of 0.02
C40 \\sim C176 \\sim C114 \\sim C208 \\sim C209 \\sim C227 \\sim C131 \\sim
C229 \\sim C236 \\sim C251: within 3.8A with sigma of 0.01 and sigma for
terminal atoms of 0.02
C034 \\sim C03X \\sim C049 \\sim C058 \\sim C158 \\sim C90 \\sim C88: within
3.8A with sigma of 0.01 and sigma for terminal atoms of 0.02
C1AA \\sim C17 \\sim C39 \\sim C99 \\sim C6BA \\sim C156: within 3.8A with
sigma of 0.01 and sigma for terminal atoms of 0.02
Ag0M \\sim S1 \\sim Ag3: within 3.8A with sigma of 0.01 and sigma for terminal
atoms of 0.02
C43 \\sim C9: within 3.8A with sigma of 0.01 and sigma for terminal atoms of
0.02
Ag0L \\sim S019 \\sim Ag0O: within 3.8A with sigma of 0.01 and sigma for
terminal atoms of 0.02
S01C \\sim Ag0J \\sim S01A: within 3.8A with sigma of 0.01 and sigma for
terminal atoms of 0.02
Ag \\sim Ag1: within 3.8A with sigma of 0.01 and sigma for terminal atoms of
0.02
Ag5 \\sim Ag1 \\sim Ag \\sim Ag6: within 3.8A with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C02X) \\sim Ueq, Uanis(C037) \\sim Ueq, Uanis(C03V) \\sim Ueq,
Uanis(C050) \\sim Ueq, Uanis(C059) \\sim Ueq, Uanis(C35) \\sim Ueq, Uanis(C68)
\\sim Ueq, Uanis(C93) \\sim Ueq, Uanis(C152) \\sim Ueq, Uanis(C116) \\sim Ueq:
with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C01S) \\sim Ueq, Uanis(C020) \\sim Ueq, Uanis(C02B) \\sim Ueq,
Uanis(C03J) \\sim Ueq, Uanis(C03M) \\sim Ueq, Uanis(C6) \\sim Ueq, Uanis(C6AA)
\\sim Ueq, Uanis(C7AA) \\sim Ueq, Uanis(C3) \\sim Ueq, Uanis(C02F) \\sim Ueq:
with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C02S) \\sim Ueq, Uanis(C02V) \\sim Ueq, Uanis(C038) \\sim Ueq, Uanis(C37)
\\sim Ueq, Uanis(C84) \\sim Ueq, Uanis(C192) \\sim Ueq, Uanis(C01K) \\sim Ueq:
with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C030) \\sim Ueq, Uanis(C03W) \\sim Ueq, Uanis(C3AA) \\sim Ueq, Uanis(C19)
\\sim Ueq, Uanis(C175) \\sim Ueq, Uanis(C180) \\sim Ueq, Uanis(C177) \\sim Ueq,
Uanis(C129) \\sim Ueq, Uanis(C029) \\sim Ueq, Uanis(C04O) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
Uanis(C01J) \\sim Ueq, Uanis(C01O) \\sim Ueq, Uanis(C01Q) \\sim Ueq,
Uanis(C01R) \\sim Ueq, Uanis(C01U) \\sim Ueq, Uanis(C01W) \\sim Ueq,
Uanis(C021) \\sim Ueq, Uanis(C023) \\sim Ueq, Uanis(C) \\sim Ueq, Uanis(C4)
\\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C13) \\sim Ueq, Uanis(C4AA) \\sim Ueq, Uanis(C29) \\sim Ueq, Uanis(C5AA)
\\sim Ueq, Uanis(C9AA) \\sim Ueq, Uanis(C63) \\sim Ueq, Uanis(C72) \\sim Ueq,
Uanis(C0BA) \\sim Ueq, Uanis(C1BA) \\sim Ueq, Uanis(C7) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
Uanis(C02G) \\sim Ueq, Uanis(C02H) \\sim Ueq, Uanis(C02N) \\sim Ueq,
Uanis(C02Q) \\sim Ueq, Uanis(C03F) \\sim Ueq, Uanis(C03N) \\sim Ueq,
Uanis(C03P) \\sim Ueq, Uanis(C53) \\sim Ueq, Uanis(C0AA) \\sim Ueq, Uanis(C59)
\\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C01L) \\sim Ueq, Uanis(C01M) \\sim Ueq, Uanis(C01P) \\sim Ueq,
Uanis(C01Z) \\sim Ueq, Uanis(C024) \\sim Ueq, Uanis(C02A) \\sim Ueq,
Uanis(C02Y) \\sim Ueq, Uanis(C033) \\sim Ueq, Uanis(C03A) \\sim Ueq,
Uanis(C03Y) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C03R) \\sim Ueq, Uanis(C74) \\sim Ueq, Uanis(C28) \\sim Ueq, Uanis(C2BA)
\\sim Ueq, Uanis(C3BA) \\sim Ueq, Uanis(C89) \\sim Ueq, Uanis(C134) \\sim Ueq,
Uanis(C151) \\sim Ueq, Uanis(C4BA) \\sim Ueq, Uanis(C045) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
Uanis(C01K) \\sim Ueq, Uanis(C02S) \\sim Ueq, Uanis(C02V) \\sim Ueq,
Uanis(C038) \\sim Ueq, Uanis(C37) \\sim Ueq, Uanis(C84) \\sim Ueq, Uanis(C192)
\\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C01N) \\sim Ueq, Uanis(C01Y) \\sim Ueq, Uanis(C026) \\sim Ueq,
Uanis(C027) \\sim Ueq, Uanis(C02W) \\sim Ueq, Uanis(C11) \\sim Ueq, Uanis(C138)
\\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C034) \\sim Ueq, Uanis(C03X) \\sim Ueq, Uanis(C049) \\sim Ueq,
Uanis(C058) \\sim Ueq, Uanis(C158) \\sim Ueq, Uanis(C90) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
Uanis(C02Z) \\sim Ueq, Uanis(C75) \\sim Ueq, Uanis(C38) \\sim Ueq, Uanis(C101)
\\sim Ueq, Uanis(C281) \\sim Ueq, Uanis(C281) \\sim Ueq, Uanis(C2AA) \\sim Ueq,
Uanis(C2AA) \\sim Ueq, Uanis(C109) \\sim Ueq, Uanis(C109) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
Uanis(C02E) \\sim Ueq, Uanis(C036) \\sim Ueq, Uanis(C041) \\sim Ueq,
Uanis(C057) \\sim Ueq, Uanis(C25) \\sim Ueq, Uanis(C27) \\sim Ueq, Uanis(C62)
\\sim Ueq, Uanis(C65) \\sim Ueq, Uanis(C71) \\sim Ueq, Uanis(C98) \\sim Ueq:
with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C022) \\sim Ueq, Uanis(C02C) \\sim Ueq, Uanis(C02D) \\sim Ueq,
Uanis(C032) \\sim Ueq, Uanis(C035) \\sim Ueq, Uanis(C03E) \\sim Ueq, Uanis(C1)
\\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C02I) \\sim Ueq, Uanis(C039) \\sim Ueq, Uanis(C26) \\sim Ueq, Uanis(C30)
\\sim Ueq, Uanis(C32) \\sim Ueq, Uanis(C48) \\sim Ueq, Uanis(C79) \\sim Ueq,
Uanis(C117) \\sim Ueq, Uanis(C132) \\sim Ueq, Uanis(C45) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
Uanis(C40) \\sim Ueq, Uanis(C176) \\sim Ueq, Uanis(C114) \\sim Ueq, Uanis(C208)
\\sim Ueq, Uanis(C209) \\sim Ueq, Uanis(C227) \\sim Ueq, Uanis(C131) \\sim Ueq,
Uanis(C229) \\sim Ueq, Uanis(C236) \\sim Ueq, Uanis(C251) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
Uanis(C034) \\sim Ueq, Uanis(C03X) \\sim Ueq, Uanis(C049) \\sim Ueq,
Uanis(C058) \\sim Ueq, Uanis(C158) \\sim Ueq, Uanis(C90) \\sim Ueq, Uanis(C88)
\\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C1AA) \\sim Ueq, Uanis(C17) \\sim Ueq, Uanis(C39) \\sim Ueq, Uanis(C99)
\\sim Ueq, Uanis(C6BA) \\sim Ueq, Uanis(C156) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.02
Uanis(S1) \\sim Ueq, Uanis(Ag3) \\sim Ueq, Uanis(Ag0M) \\sim Ueq: with sigma of
0.01 and sigma for terminal atoms of 0.02
Uanis(C9) \\sim Ueq, Uanis(C43) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(S019) \\sim Ueq, Uanis(Ag0O) \\sim Ueq, Uanis(Ag0L) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
Uanis(S01A) \\sim Ueq, Uanis(Ag0J) \\sim Ueq, Uanis(S01C) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
Uanis(Ag1) \\sim Ueq, Uanis(Ag) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(Ag) \\sim Ueq, Uanis(Ag6) \\sim Ueq, Uanis(Ag5) \\sim Ueq, Uanis(Ag1)
\\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
4. Others
 Fixed Sof: Ag(0.5) Ag1(0.5) Ag2(0.5) H01E(0.5) H01F(0.5) H02L(0.5) H02M(0.5)
 H03V(0.5) H03X(0.5) Ag3(0.5) Ag4(0.5) H10A(0.5) H10B(0.5) Ag5(0.5) Ag6(0.5)
5.a Ternary CH refined with riding coordinates:
 C01O(H01O), C01Q(H01Q), C01U(H01U), C01Z(H01Z), C024(H024), C027(H027),
 C02B(H02K), C02D(H02N), C02S(H02Z), C035(H035), C039(H039), C03F(H03M),
 C03J(H03N), C03P(H03S), C03W(H03W), C03Y(H03Y), C059(H059), C68(H68), C93(H93),
  C59(H59), C175(H175), C84(H84), C11(H11), C6AA(H6AA), C27(H27), C65(H65),
 C71(H71), C180(H180), C4AA(H4AA), C72(H72), C1BA(H1BA), C38(H38), C28(H28),
 C3BA(H3BA), C158(H158), C90(H90), C2AA(H2AA), C32(H32), C117(H117), C114(H114),
  C236(H236), C99(H99), C156(H156)
5.b Secondary CH2 refined with riding coordinates:
 C01J(H01A,H01B), C01M(H01C,H01D), C01N(H01E,H01F), C01P(H01G,H01H), C01W(H01I,
 H01J), C020(H02A,H02B), C021(H02C,H02D), C023(H02E,H02F), C026(H02G,H02H),
 C02A(H02I,H02J), C02C(H02L,H02M), C02E(H02O,H02P), C02F(H02Q,H02R), C02H(H02S,
 H02T), C02I(H02U,H02V), C02N(H02W,H02X), C02Q(H02Y,H), C02V(H02,HC), C02W(H0AA,
 HD), C02Y(H1AA,HE), C030(H03A,H03B), C032(H03C,H03D), C033(H03E,H03F),
 C037(H03G,H03H), C03A(H03I,H03J), C03E(H03K,H03L), C03M(H03O,H03P), C03N(H03Q,
 H03R), C03V(H03T,H03U), C03X(H03V,H03X), C041(H04A,H04B), C045(H04C,H04D),
 C049(H04E,H04F), C04O(H04G,H04H), C058(H05A,H05B), C(HA,HB), C1(H1A,H1B),
 C35(H35A,H35B), C53(H53A,H53B), C0AA(H0AB,H0AC), C74(H74A,H74B), C3AA(H3AA,
 H3AB), C19(H19A,H19B), C3(H3A,H3B), C4(H4A,H4B), C6(H6A,H6B), C7AA(H7AA,H7AB),
 C25(H25A,H25B), C62(H62A,H62B), C98(H98A,H98B), C116(H11A,H11B), C129(H12A,
 H12B), C177(H17A,H17B), C7(H7A,H7B), C13(H13A,H13B), C29(H29A,H29B), C5AA(H5AA,
 H5AB), C63(H63A,H63B), C0BA(H0BA,H0BB), C75(H75A,H75B), C101(H10A,H10B),
 C2BA(H2BA,H2BB), C89(H89A,H89B), C151(H15A,H15B), C4BA(H4BA,H4BB), C138(H13C,
 H13D), C281(H28A,H28B), C109(H10C,H10D), C45(H45A,H45B), C48(H48A,H48B),
 C79(H79A,H79B), C132(H13E,H13F), C40(H40A,H40B), C208(H20A,H20B), C209(H20C,
 H20D), C227(H22A,H22B), C131(H13G,H13H), C251(H25C,H25D), C88(H88A,H88B)
5.c Aromatic/amide H refined with riding coordinates:
 C050(H050), C152(H152), C37(H37), C39(H39), C6BA(H6BA)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag01 Ag 0.67255(4) 0.750000 0.26356(5) 0.0151(4) Uani 1 2 d S T P A .
Ag02 Ag 0.61766(4) 0.750000 0.34541(5) 0.0232(5) Uani 1 2 d S T P A .
Ag03 Ag 0.60568(3) 0.62010(6) 0.40298(4) 0.0242(4) Uani 1 1 d . . . . .
Ag04 Ag 0.67339(4) 0.750000 0.15233(5) 0.0260(5) Uani 1 2 d S T P A .
Ag05 Ag 0.59024(4) 0.53405(6) 0.21836(4) 0.0256(4) Uani 1 1 d . . . . .
Ag06 Ag 0.64362(4) 0.69270(6) 0.20418(4) 0.0281(4) Uani 1 1 d . . . . .
Ag07 Ag 0.60927(3) 0.56719(6) 0.32108(4) 0.0258(4) Uani 1 1 d . . . . .
Ag08 Ag 0.53925(4) 0.56573(6) 0.30803(4) 0.0278(4) Uani 1 1 d . . . . .
Ag09 Ag 0.53827(3) 0.67373(7) 0.24431(4) 0.0297(4) Uani 1 1 d . . . . .
Ag0A Ag 0.55561(5) 0.750000 0.45574(6) 0.0281(5) Uani 1 2 d S T P A .
Ag0B Ag 0.53228(4) 0.62787(7) 0.38887(4) 0.0302(4) Uani 1 1 d . . . . .
Ag0C Ag 0.70356(4) 0.80839(7) 0.20972(4) 0.0339(4) Uani 1 1 d . . . . .
Ag0D Ag 0.69554(4) 0.61150(7) 0.09931(4) 0.0337(4) Uani 1 1 d . . . . .
Ag0E Ag 0.65551(4) 0.57203(6) 0.16181(5) 0.0335(4) Uani 1 1 d . . . . .
Ag0F Ag 0.56474(4) 0.67327(7) 0.15184(4) 0.0332(4) Uani 1 1 d . . . . .
Ag0G Ag 0.52384(5) 0.750000 0.33932(6) 0.0346(6) Uani 1 2 d S T P A .
Ag Ag 0.61937(17) 0.6983(3) 0.2759(2) 0.0229(14) Uani 0.5 1 d . U . A 2
Ag0I Ag 0.59663(4) 0.56357(8) 0.10570(5) 0.0429(5) Uani 1 1 d . . . . .
Ag0J Ag 0.75242(4) 0.68025(9) 0.13179(5) 0.0407(4) Uani 1 1 d . U . . .
Ag0K Ag 0.57333(4) 0.66957(7) 0.32119(5) 0.0396(4) Uani 1 1 d . . . . .
Ag0L Ag 0.60412(4) 0.66165(8) 0.48508(5) 0.0434(5) Uani 1 1 d . U . . .
Ag0M Ag 0.60154(5) 0.750000 0.06832(6) 0.0481(7) Uani 1 2 d S TU P A .
Ag0N Ag 0.62793(4) 0.66920(8) 0.12914(5) 0.0442(5) Uani 1 1 d . . . . .
Ag0O Ag 0.66386(4) 0.67978(8) 0.43776(6) 0.0479(5) Uani 1 1 d . U . . .
Ag0P Ag 0.58785(6) 0.750000 0.21797(7) 0.0437(7) Uani 1 2 d S T P A .
Br0Q Br 0.63652(5) 0.60040(8) 0.24404(5) 0.0235(5) Uani 1 1 d . . . . .
Ag1 Ag 0.66638(15) 0.6833(2) 0.32589(17) 0.0288(13) Uani 0.5 1 d . U . A 2
Ag0S Ag 0.60953(6) 0.750000 0.41634(7) 0.0471(7) Uani 1 2 d S T P A .
Br0T Br 0.71225(5) 0.66304(9) 0.28413(6) 0.0268(5) Uani 1 1 d . . . . .
Ag0U Ag 0.63176(5) 0.62149(10) 0.04208(6) 0.0644(7) Uani 1 1 d . . . . .
Ag0V Ag 0.70353(7) 0.750000 0.09324(9) 0.0647(9) Uani 1 2 d S T P A .
Ag2 Ag 0.73560(10) 0.8336(2) 0.04226(14) 0.0372(11) Uani 0.5 1 d . . . A 2
S00Y S 0.51301(14) 0.750000 0.27288(17) 0.0183(14) Uani 1 2 d S T P A .
S00Z S 0.49921(12) 0.60722(19) 0.33774(13) 0.0260(12) Uani 1 1 d . . . . .
S010 S 0.64595(11) 0.60573(19) 0.36140(12) 0.0198(10) Uani 1 1 d . . . . .
S011 S 0.56349(11) 0.61240(19) 0.44262(12) 0.0202(10) Uani 1 1 d . . . . .
S012 S 0.57773(13) 0.51148(18) 0.28357(13) 0.0252(12) Uani 1 1 d . . . . .
S013 S 0.58514(17) 0.750000 0.51126(19) 0.0255(16) Uani 1 2 d S T P A .
S014 S 0.55197(11) 0.6048(2) 0.19890(13) 0.0255(11) Uani 1 1 d . . . . .
S015 S 0.56007(15) 0.750000 0.10791(17) 0.0238(16) Uani 1 2 d S T P A .
S016 S 0.52233(17) 0.750000 0.40591(19) 0.0333(19) Uani 1 2 d S T P A .
S017 S 0.61418(13) 0.5129(2) 0.15858(14) 0.0321(13) Uani 1 1 d . . . . .
S018 S 0.70384(12) 0.6057(2) 0.16645(14) 0.0304(12) Uani 1 1 d . . . . .
S019 S 0.64878(13) 0.6108(2) 0.48292(16) 0.0382(13) Uani 1 1 d . U . . .
S01A S 0.75002(16) 0.750000 0.1816(2) 0.0344(18) Uani 1 2 d S TU P A .
S01B S 0.68661(17) 0.750000 0.3988(2) 0.0376(19) Uani 1 2 d S T P A .
S01C S 0.76639(13) 0.6122(3) 0.08518(16) 0.0400(14) Uani 1 1 d . U . . .
S01D S 0.68296(14) 0.6141(3) 0.03426(18) 0.0434(15) Uani 1 1 d . . . . .
S01E S 0.73180(19) 0.750000 0.0033(2) 0.039(2) Uani 1 2 d S T P . .
S01F S 0.58170(16) 0.5978(3) 0.0466(2) 0.0555(19) Uani 1 1 d . . . . .
C01J C 0.5298(4) 0.5224(8) 0.4558(5) 0.022(2) Uani 1 1 d . U . . .
H01A H 0.521448 0.528412 0.431172 0.026 Uiso 1 1 calc R . . . .
H01B H 0.520022 0.545700 0.473937 0.026 Uiso 1 1 calc R . . . .
C01K C 0.4751(10) 0.750000 0.2608(12) 0.066(4) Uani 1 2 d S TU P . .
C01L C 0.6697(5) 0.5444(10) 0.3692(6) 0.036(2) Uani 1 1 d . U . . .
C01M C 0.6538(5) 0.5036(10) 0.3964(6) 0.037(2) Uani 1 1 d . U . . .
H01C H 0.649365 0.522456 0.419833 0.044 Uiso 1 1 calc R . . . .
H01D H 0.636221 0.491669 0.384876 0.044 Uiso 1 1 calc R . . . .
C01N C 0.5803(8) 0.750000 0.5885(8) 0.038(3) Uani 1 2 d S TU P A .
H01E H 0.592285 0.717233 0.588795 0.045 Uiso 0.5 1 calc R . . . .
H01F H 0.592285 0.782767 0.588795 0.045 Uiso 0.5 1 calc R . . . .
C01O C 0.5725(5) 0.4380(9) 0.4352(5) 0.025(2) Uani 1 1 d . U . . .
H01O H 0.582015 0.414980 0.416196 0.030 Uiso 1 1 calc R . . . .
C01P C 0.6950(5) 0.5646(10) 0.3886(6) 0.037(2) Uani 1 1 d . U . . .
H01G H 0.689852 0.582766 0.412004 0.044 Uiso 1 1 calc R . . . .
H01H H 0.704909 0.591276 0.372817 0.044 Uiso 1 1 calc R . . . .
C01Q C 0.5269(5) 0.4585(8) 0.4675(5) 0.024(2) Uani 1 1 d . U . . .
H01Q H 0.506823 0.447959 0.468372 0.029 Uiso 1 1 calc R . . . .
C01R C 0.5606(5) 0.5370(8) 0.4549(5) 0.023(2) Uani 1 1 d . U . . .
C01S C 0.4754(5) 0.5468(10) 0.3458(6) 0.037(2) Uani 1 1 d . U . . .
C01U C 0.5729(4) 0.4638(8) 0.5039(5) 0.024(2) Uani 1 1 d . U . . .
H01U H 0.581762 0.456608 0.528380 0.029 Uiso 1 1 calc R . . . .
C01W C 0.5399(4) 0.4499(9) 0.5050(5) 0.024(2) Uani 1 1 d . U . . .
H01I H 0.537269 0.411526 0.512760 0.029 Uiso 1 1 calc R . . . .
H01J H 0.530683 0.473609 0.523381 0.029 Uiso 1 1 calc R . . . .
C01Y C 0.5607(8) 0.750000 0.5516(9) 0.038(3) Uani 1 2 d S TU P . .
C01Z C 0.7140(5) 0.5144(10) 0.3965(6) 0.039(2) Uani 1 1 d . U . . .
H01Z H 0.731233 0.527892 0.408958 0.047 Uiso 1 1 calc R . . . .
C020 C 0.4909(5) 0.4938(10) 0.3548(6) 0.039(2) Uani 1 1 d . U . . .
H02A H 0.503757 0.484634 0.334399 0.046 Uiso 1 1 calc R . . . .
H02B H 0.501915 0.498629 0.377664 0.046 Uiso 1 1 calc R . . . .
C021 C 0.5862(5) 0.4308(9) 0.4742(5) 0.026(2) Uani 1 1 d . U . . .
H02C H 0.585254 0.391795 0.481260 0.031 Uiso 1 1 calc R . . . .
H02D H 0.605987 0.440970 0.472544 0.031 Uiso 1 1 calc R . . . .
C022 C 0.5250(7) 0.750000 0.0858(8) 0.036(3) Uani 1 2 d S TU P . .
C023 C 0.5751(5) 0.5283(9) 0.4929(5) 0.025(2) Uani 1 1 d . U . . .
H02E H 0.565994 0.550792 0.512105 0.030 Uiso 1 1 calc R . . . .
H02F H 0.594811 0.539297 0.491309 0.030 Uiso 1 1 calc R . . . .
C024 C 0.6719(5) 0.4541(10) 0.4043(6) 0.038(2) Uani 1 1 d . U . . .
H024 H 0.662030 0.428391 0.421237 0.045 Uiso 1 1 calc R . . . .
C026 C 0.5426(5) 0.6976(10) 0.5524(6) 0.038(3) Uani 1 1 d . U . . .
H02G H 0.531240 0.695963 0.529642 0.045 Uiso 1 1 calc R . . . .
H02H H 0.554844 0.665190 0.552746 0.045 Uiso 1 1 calc R . . . .
C027 C 0.5600(8) 0.750000 0.6236(9) 0.038(3) Uani 1 2 d S TU P . .
H027 H 0.571142 0.750002 0.646944 0.045 Uiso 1 2 calc RS T P A .
C029 C 0.5211(3) 0.5632(8) 0.1835(5) 0.085(4) Uani 1 1 d D U . . .
C02A C 0.7000(5) 0.4736(11) 0.4225(6) 0.038(2) Uani 1 1 d . U . . .
H02I H 0.696231 0.490994 0.446651 0.046 Uiso 1 1 calc R . . . .
H02J H 0.712310 0.441893 0.426635 0.046 Uiso 1 1 calc R . . . .
C02B C 0.4701(5) 0.4484(11) 0.3600(6) 0.039(2) Uani 1 1 d . U . . .
H02K H 0.480358 0.413987 0.365686 0.047 Uiso 1 1 calc R . . . .
C02C C 0.5026(7) 0.750000 0.1141(8) 0.038(3) Uani 1 2 d S TU P A .
H02L H 0.504521 0.782660 0.129977 0.045 Uiso 0.5 1 calc R . . . .
H02M H 0.504521 0.717340 0.129977 0.045 Uiso 0.5 1 calc R . . . .
C02D C 0.4735(7) 0.750000 0.0955(9) 0.037(3) Uani 1 2 d S TU P . .
H02N H 0.458478 0.749998 0.114643 0.045 Uiso 1 2 calc RS T P A .
C02E C 0.6398(5) 0.4334(8) 0.1144(5) 0.093(4) Uani 1 1 d D U . . .
H02O H 0.656898 0.455854 0.114780 0.111 Uiso 1 1 calc R . . . .
H02P H 0.627947 0.446374 0.093934 0.111 Uiso 1 1 calc R . . . .
C02F C 0.4521(5) 0.4392(10) 0.3250(6) 0.038(2) Uani 1 1 d . U . . .
H02Q H 0.438467 0.409787 0.329339 0.046 Uiso 1 1 calc R . . . .
H02R H 0.463910 0.429059 0.303709 0.046 Uiso 1 1 calc R . . . .
C02G C 0.7238(7) 0.5444(14) 0.1835(8) 0.061(3) Uani 1 1 d . U . . .
C02H C 0.7082(7) 0.5189(14) 0.2164(8) 0.062(3) Uani 1 1 d . U . . .
H02S H 0.706197 0.546686 0.236063 0.074 Uiso 1 1 calc R . . . .
H02T H 0.689351 0.508407 0.208216 0.074 Uiso 1 1 calc R . . . .
C02I C 0.5672(5) 0.4282(8) 0.3356(5) 0.089(4) Uani 1 1 d D U . . .
H02U H 0.548286 0.442850 0.339251 0.106 Uiso 1 1 calc R . . . .
H02V H 0.579870 0.447392 0.352765 0.106 Uiso 1 1 calc R . . . .
C02N C 0.7256(7) 0.5004(13) 0.1523(8) 0.061(3) Uani 1 1 d . U . . .
H02W H 0.734775 0.515349 0.130015 0.074 Uiso 1 1 calc R . . . .
H02X H 0.706880 0.487248 0.145396 0.074 Uiso 1 1 calc R . . . .
C02Q C 0.7517(7) 0.5639(13) 0.1959(8) 0.062(3) Uani 1 1 d . U . . .
H02Y H 0.749467 0.592276 0.215192 0.074 Uiso 1 1 calc R . . . .
H H 0.761726 0.580424 0.174792 0.074 Uiso 1 1 calc R . . . .
C02S C 0.4708(10) 0.750000 0.2178(12) 0.067(4) Uani 1 2 d S TU P A .
H02Z H 0.486932 0.749999 0.200341 0.080 Uiso 1 2 calc RS T P . .
C02V C 0.4615(7) 0.8004(15) 0.2772(8) 0.068(4) Uani 1 1 d . U . . .
H02 H 0.469255 0.833676 0.265765 0.081 Uiso 1 1 calc R . . . .
HC H 0.464994 0.801985 0.304182 0.081 Uiso 1 1 calc R . . . .
C02W C 0.5400(5) 0.6988(10) 0.6230(6) 0.039(3) Uani 1 1 d . U . . .
H0AA H 0.550999 0.665070 0.626253 0.047 Uiso 1 1 calc R . . . .
HD H 0.526658 0.701356 0.643733 0.047 Uiso 1 1 calc R . . . .
C02X C 0.5731(8) 0.5334(16) 0.0198(9) 0.074(4) Uani 1 1 d . U . . .
C02Y C 0.7228(5) 0.4868(11) 0.3585(6) 0.039(3) Uani 1 1 d . U . . .
H1AA H 0.731872 0.513831 0.342112 0.047 Uiso 1 1 calc R . . . .
HE H 0.735865 0.456353 0.362881 0.047 Uiso 1 1 calc R . . . .
C02Z C 0.7860(6) 0.750000 0.2070(9) 0.139(9) Uani 1 2 d DS TU P . .
C030 C 0.5065(4) 0.5375(10) 0.2186(4) 0.086(4) Uani 1 1 d D U . . .
H03A H 0.520014 0.514791 0.232285 0.104 Uiso 1 1 calc R . . . .
H03B H 0.500125 0.566996 0.235199 0.104 Uiso 1 1 calc R . . . .
C032 C 0.4905(8) 0.750000 0.0164(9) 0.038(3) Uani 1 2 d S TU P . .
H03C H 0.504608 0.749999 -0.003447 0.046 Uiso 1 2 calc RS T P . .
H03D H 0.471966 0.750000 0.004557 0.046 Uiso 1 2 calc RS T P . .
C033 C 0.6757(5) 0.5163(10) 0.3326(6) 0.038(2) Uani 1 1 d . U . . .
H03E H 0.685223 0.541857 0.315635 0.046 Uiso 1 1 calc R . . . .
H03F H 0.658203 0.504432 0.320915 0.046 Uiso 1 1 calc R . . . .
C034 C 0.6168(6) 0.750000 -0.0266(7) 0.088(6) Uani 1 2 d DS TU P . .
C035 C 0.4937(5) 0.6981(11) 0.0397(6) 0.038(3) Uani 1 1 d . U . . .
H035 H 0.492533 0.665195 0.023507 0.046 Uiso 1 1 calc R . . . .
C036 C 0.6240(5) 0.4397(6) 0.1521(5) 0.093(4) Uani 1 1 d D U . . .
C037 C 0.5446(8) 0.5104(16) 0.0304(9) 0.075(4) Uani 1 1 d . U . . .
H03G H 0.544793 0.499399 0.056747 0.090 Uiso 1 1 calc R . . . .
H03H H 0.530400 0.539193 0.027368 0.090 Uiso 1 1 calc R . . . .
C038 C 0.4379(6) 0.7668(13) 0.2032(7) 0.071(4) Uani 1 1 d . U . . .
C039 C 0.5675(4) 0.3651(8) 0.3441(4) 0.090(4) Uani 1 1 d D U . . .
H039 H 0.561214 0.358860 0.370138 0.107 Uiso 1 1 calc R . . . .
C03A C 0.6795(5) 0.4245(10) 0.3669(6) 0.040(3) Uani 1 1 d . U . . .
H03I H 0.691538 0.392743 0.372021 0.048 Uiso 1 1 calc R . . . .
H03J H 0.662374 0.411197 0.354811 0.048 Uiso 1 1 calc R . . . .
C03E C 0.4711(5) 0.6960(10) 0.0689(6) 0.039(3) Uani 1 1 d . U . . .
H03K H 0.473141 0.662528 0.084002 0.047 Uiso 1 1 calc R . . . .
H03L H 0.452660 0.695053 0.056888 0.047 Uiso 1 1 calc R . . . .
C03F C 0.7697(7) 0.5134(14) 0.2125(8) 0.064(3) Uani 1 1 d . U . . .
H03M H 0.788237 0.525791 0.221715 0.076 Uiso 1 1 calc R . . . .
C03J C 0.4329(6) 0.5166(10) 0.3851(6) 0.041(2) Uani 1 1 d . U . . .
H03N H 0.420760 0.526602 0.406477 0.049 Uiso 1 1 calc R . . . .
C03M C 0.4489(6) 0.4611(10) 0.3934(6) 0.040(2) Uani 1 1 d . U . . .
H03O H 0.435469 0.430837 0.395824 0.048 Uiso 1 1 calc R . . . .
H03P H 0.459280 0.464319 0.416881 0.048 Uiso 1 1 calc R . . . .
C03N C 0.7242(7) 0.4252(13) 0.2020(8) 0.063(3) Uani 1 1 d . U . . .
H03Q H 0.705502 0.416985 0.192263 0.076 Uiso 1 1 calc R . . . .
H03R H 0.732577 0.391091 0.211503 0.076 Uiso 1 1 calc R . . . .
C03P C 0.7227(7) 0.4686(14) 0.2326(8) 0.063(3) Uani 1 1 d . U . . .
H03S H 0.712293 0.454367 0.254444 0.076 Uiso 1 1 calc R . . . .
C03R C 0.8032(4) 0.6242(13) 0.0755(8) 0.143(6) Uani 1 1 d D U . . .
C03V C 0.5726(8) 0.5485(16) -0.0245(8) 0.075(4) Uani 1 1 d . U . . .
H03T H 0.556760 0.572764 -0.030417 0.090 Uiso 1 1 calc R . . . .
H03U H 0.590015 0.566415 -0.032209 0.090 Uiso 1 1 calc R . . . .
C03W C 0.4815(4) 0.5021(9) 0.2065(4) 0.087(4) Uani 1 1 d D U . . .
H03W H 0.472027 0.487023 0.228853 0.104 Uiso 1 1 calc R . . . .
C03X C 0.5843(6) 0.750000 -0.0241(6) 0.089(6) Uani 1 2 d DS TU P A .
H03V H 0.578001 0.717331 -0.010327 0.106 Uiso 0.5 1 calc R . . . .
H03X H 0.578001 0.782669 -0.010327 0.106 Uiso 0.5 1 calc R . . . .
C03Y C 0.6949(5) 0.4651(10) 0.3404(6) 0.039(2) Uani 1 1 d . U . . .
H03Y H 0.699242 0.446367 0.316571 0.047 Uiso 1 1 calc R . . . .
C041 C 0.6662(3) 0.3509(10) 0.1408(6) 0.095(4) Uani 1 1 d D U . . .
H04A H 0.683625 0.372157 0.141653 0.114 Uiso 1 1 calc R . . . .
H04B H 0.671003 0.312091 0.136851 0.114 Uiso 1 1 calc R . . . .
C045 C 0.8103(5) 0.5895(12) 0.0400(8) 0.143(6) Uani 1 1 d D U . . .
H04C H 0.797958 0.600246 0.019381 0.172 Uiso 1 1 calc R . . . .
H04D H 0.807298 0.550286 0.045174 0.172 Uiso 1 1 calc R . . . .
C049 C 0.5817(5) 0.7003(10) -0.0867(7) 0.089(5) Uani 1 1 d D U . . .
H04E H 0.575091 0.666001 -0.075242 0.106 Uiso 1 1 calc R . . . .
H04F H 0.573915 0.702284 -0.112016 0.106 Uiso 1 1 calc R . . . .
C04O C 0.5321(3) 0.5148(10) 0.1581(6) 0.088(4) Uani 1 1 d D U . . .
H04G H 0.541405 0.529960 0.135983 0.105 Uiso 1 1 calc R . . . .
H04H H 0.545801 0.492725 0.171985 0.105 Uiso 1 1 calc R . . . .
C050 C 0.5372(8) 0.4699(16) -0.0316(9) 0.076(4) Uani 1 1 d . U . . .
H050 H 0.522016 0.464430 -0.047826 0.091 Uiso 1 1 calc R . . . .
C057 C 0.6228(5) 0.3227(8) 0.1772(5) 0.095(4) Uani 1 1 d D U . . .
C058 C 0.6271(5) 0.6997(10) -0.0491(7) 0.089(5) Uani 1 1 d D U . . .
H05A H 0.621984 0.665759 -0.035976 0.106 Uiso 1 1 calc R . . . .
H05B H 0.647580 0.700914 -0.051127 0.106 Uiso 1 1 calc R . . . .
C059 C 0.5691(8) 0.4899(16) -0.0439(9) 0.075(4) Uani 1 1 d . U . . .
H059 H 0.568701 0.496302 -0.071189 0.090 Uiso 1 1 calc R . . . .
C C 0.5422(4) 0.4238(8) 0.4380(5) 0.023(2) Uani 1 1 d . U . . .
HA H 0.540310 0.384729 0.444361 0.028 Uiso 1 1 calc R . . . .
HB H 0.533277 0.429613 0.413659 0.028 Uiso 1 1 calc R . . . .
C1 C 0.5220(5) 0.6989(10) 0.0604(6) 0.036(3) Uani 1 1 d . U . . .
H1A H 0.537250 0.698733 0.042049 0.043 Uiso 1 1 calc R . . . .
H1B H 0.523729 0.665480 0.075595 0.043 Uiso 1 1 calc R . . . .
C35 C 0.5966(8) 0.4891(16) 0.0247(9) 0.076(4) Uani 1 1 d . U . . .
H35A H 0.614630 0.504663 0.017169 0.091 Uiso 1 1 calc R . . . .
H35B H 0.597852 0.478394 0.051006 0.091 Uiso 1 1 calc R . . . .
C68 C 0.5370(8) 0.4625(16) 0.0072(9) 0.075(4) Uani 1 1 d . U . . .
H68 H 0.518632 0.447785 0.015193 0.090 Uiso 1 1 calc R . . . .
C93 C 0.5901(8) 0.4373(16) 0.0005(9) 0.076(4) Uani 1 1 d . U . . .
H93 H 0.604027 0.407937 0.005239 0.092 Uiso 1 1 calc R . . . .
C152 C 0.5890(8) 0.4501(16) -0.0373(9) 0.076(4) Uani 1 1 d . U . . .
H152 H 0.600269 0.433806 -0.055784 0.091 Uiso 1 1 calc R . . . .
C53 C 0.7726(7) 0.4697(14) 0.1828(8) 0.062(3) Uani 1 1 d . U . . .
H53A H 0.782753 0.437940 0.192829 0.075 Uiso 1 1 calc R . . . .
H53B H 0.783212 0.484290 0.161528 0.075 Uiso 1 1 calc R . . . .
C0AA C 0.7519(7) 0.4876(14) 0.2441(8) 0.063(3) Uani 1 1 d . U . . .
H0AB H 0.762088 0.455956 0.254262 0.076 Uiso 1 1 calc R . . . .
H0AC H 0.749967 0.514730 0.264178 0.076 Uiso 1 1 calc R . . . .
C59 C 0.7437(7) 0.4522(14) 0.1701(8) 0.063(3) Uani 1 1 d . U . . .
H59 H 0.746248 0.423901 0.150427 0.075 Uiso 1 1 calc R . . . .
C74 C 0.8228(6) 0.6064(13) 0.1082(6) 0.144(6) Uani 1 1 d D U . . .
H74A H 0.818140 0.627309 0.130730 0.173 Uiso 1 1 calc R . . . .
H74B H 0.820161 0.567174 0.113510 0.173 Uiso 1 1 calc R . . . .
C26 C 0.5767(4) 0.4383(6) 0.2947(5) 0.089(4) Uani 1 1 d D U . . .
C3AA C 0.4852(5) 0.5136(9) 0.1243(4) 0.088(4) Uani 1 1 d D U . . .
H3AA H 0.493915 0.528320 0.101578 0.106 Uiso 1 1 calc R . . . .
H3AB H 0.469343 0.490499 0.116816 0.106 Uiso 1 1 calc R . . . .
C19 C 0.4600(3) 0.5374(9) 0.1831(6) 0.088(4) Uani 1 1 d D U . . .
H19A H 0.444240 0.514217 0.175266 0.105 Uiso 1 1 calc R . . . .
H19B H 0.452624 0.567429 0.198497 0.105 Uiso 1 1 calc R . . . .
C175 C 0.5070(4) 0.4782(7) 0.1462(5) 0.088(4) Uani 1 1 d D U . . .
H175 H 0.513653 0.447549 0.130211 0.106 Uiso 1 1 calc R . . . .
C37 C 0.4173(10) 0.750000 0.2835(12) 0.068(4) Uani 1 2 d S TU P . .
H37 H 0.403545 0.749997 0.302213 0.081 Uiso 1 2 calc RS T P . .
C84 C 0.4278(7) 0.7969(15) 0.2693(8) 0.069(4) Uani 1 1 d . U . . .
H84 H 0.418392 0.828721 0.281273 0.082 Uiso 1 1 calc R . . . .
C192 C 0.4252(7) 0.6984(15) 0.2300(9) 0.068(4) Uani 1 1 d . U . . .
Ag3 Ag 0.68285(9) 0.7716(2) 0.01667(11) 0.0735(16) Uani 0.5 1 d . U . A 1
Ag4 Ag 0.74970(12) 0.8232(3) 0.04250(16) 0.0512(14) Uani 0.5 1 d . . . A 1
C3 C 0.4557(5) 0.5628(10) 0.3782(6) 0.039(2) Uani 1 1 d . U . . .
H3A H 0.446350 0.597644 0.372302 0.047 Uiso 1 1 calc R . . . .
H3B H 0.466714 0.568067 0.400974 0.047 Uiso 1 1 calc R . . . .
C4 C 0.5749(5) 0.5005(8) 0.4254(5) 0.023(2) Uani 1 1 d . U . . .
H4A H 0.594711 0.510660 0.423646 0.028 Uiso 1 1 calc R . . . .
H4B H 0.566231 0.507207 0.401045 0.028 Uiso 1 1 calc R . . . .
C6 C 0.4574(5) 0.5417(10) 0.3113(6) 0.038(2) Uani 1 1 d . U . . .
H6A H 0.469099 0.534396 0.289392 0.046 Uiso 1 1 calc R . . . .
H6B H 0.446990 0.575886 0.307073 0.046 Uiso 1 1 calc R . . . .
C11 C 0.5239(5) 0.6964(11) 0.5856(6) 0.040(3) Uani 1 1 d . U . . .
H11 H 0.511820 0.663330 0.584801 0.048 Uiso 1 1 calc R . . . .
C6AA C 0.4372(5) 0.4942(10) 0.3177(6) 0.040(2) Uani 1 1 d . U . . .
H6AA H 0.426387 0.489585 0.294338 0.048 Uiso 1 1 calc R . . . .
C7AA C 0.4152(5) 0.5079(11) 0.3499(6) 0.040(2) Uani 1 1 d . U . . .
H7AA H 0.404565 0.541307 0.343822 0.048 Uiso 1 1 calc R . . . .
H7AB H 0.402025 0.477362 0.353302 0.048 Uiso 1 1 calc R . . . .
C25 C 0.6431(5) 0.4190(9) 0.1847(5) 0.094(4) Uani 1 1 d D U . . .
H25A H 0.660324 0.440734 0.185558 0.113 Uiso 1 1 calc R . . . .
H25B H 0.633277 0.423492 0.208563 0.113 Uiso 1 1 calc R . . . .
C27 C 0.6476(4) 0.3717(9) 0.1081(4) 0.094(4) Uani 1 1 d D U . . .
H27 H 0.657904 0.367731 0.084296 0.113 Uiso 1 1 calc R . . . .
C62 C 0.6204(5) 0.3366(9) 0.1068(5) 0.095(4) Uani 1 1 d D U . . .
H62A H 0.625073 0.297746 0.102801 0.114 Uiso 1 1 calc R . . . .
H62B H 0.608547 0.348816 0.085999 0.114 Uiso 1 1 calc R . . . .
C65 C 0.6502(4) 0.3573(9) 0.1785(4) 0.095(4) Uani 1 1 d D U . . .
H65 H 0.662229 0.344061 0.199191 0.114 Uiso 1 1 calc R . . . .
C71 C 0.6041(4) 0.3432(8) 0.1446(6) 0.095(4) Uani 1 1 d D U . . .
H71 H 0.586583 0.321349 0.143749 0.114 Uiso 1 1 calc R . . . .
C98 C 0.5968(3) 0.4055(10) 0.1501(6) 0.095(4) Uani 1 1 d D U . . .
H98A H 0.585232 0.418400 0.129284 0.114 Uiso 1 1 calc R . . . .
H98B H 0.586080 0.410266 0.173259 0.114 Uiso 1 1 calc R . . . .
C116 C 0.5599(7) 0.4178(16) 0.0121(9) 0.076(4) Uani 1 1 d . U . . .
H11A H 0.554866 0.385550 -0.002899 0.091 Uiso 1 1 calc R . . . .
H11B H 0.560344 0.406270 0.038352 0.091 Uiso 1 1 calc R . . . .
C180 C 0.4747(4) 0.5612(8) 0.1485(5) 0.089(4) Uani 1 1 d D U . . .
H180 H 0.461284 0.583740 0.134063 0.107 Uiso 1 1 calc R . . . .
C129 C 0.5002(5) 0.5986(6) 0.1613(6) 0.088(4) Uani 1 1 d D U . . .
H12A H 0.509444 0.614329 0.139345 0.106 Uiso 1 1 calc R . . . .
H12B H 0.493336 0.628872 0.176885 0.106 Uiso 1 1 calc R . . . .
C177 C 0.4925(5) 0.4544(7) 0.1822(6) 0.088(4) Uani 1 1 d D U . . .
H17A H 0.476910 0.430273 0.175073 0.106 Uiso 1 1 calc R . . . .
H17B H 0.505995 0.432499 0.196514 0.106 Uiso 1 1 calc R . . . .
C7 C 0.7236(4) 0.5468(7) 0.0017(6) 0.084(4) Uani 1 1 d D U . . .
H7A H 0.734731 0.551937 0.024505 0.100 Uiso 1 1 calc R . . . .
H7B H 0.728109 0.576792 -0.015558 0.100 Uiso 1 1 calc R . . . .
C13 C 0.6851(4) 0.5000(9) 0.0389(4) 0.084(4) Uani 1 1 d D U . . .
H13A H 0.696265 0.504035 0.061722 0.100 Uiso 1 1 calc R . . . .
H13B H 0.665240 0.501104 0.045895 0.100 Uiso 1 1 calc R . . . .
C4AA C 0.6819(4) 0.4853(8) -0.0438(4) 0.084(4) Uani 1 1 d D U . . .
H4AA H 0.670910 0.480941 -0.067075 0.101 Uiso 1 1 calc R . . . .
C29 C 0.6740(4) 0.5408(8) -0.0249(6) 0.084(4) Uani 1 1 d D U . . .
H29A H 0.653987 0.541048 -0.018745 0.101 Uiso 1 1 calc R . . . .
H29B H 0.677689 0.571335 -0.042136 0.101 Uiso 1 1 calc R . . . .
C5AA C 0.6744(4) 0.4380(8) -0.0165(6) 0.085(4) Uani 1 1 d D U . . .
H5AA H 0.678413 0.402383 -0.028212 0.102 Uiso 1 1 calc R . . . .
H5AB H 0.654370 0.439254 -0.010518 0.102 Uiso 1 1 calc R . . . .
C9AA C 0.6918(4) 0.5480(6) 0.0115(5) 0.083(4) Uani 1 1 d D U . . .
C63 C 0.7137(4) 0.4837(9) -0.0532(4) 0.085(4) Uani 1 1 d D U . . .
H63A H 0.718343 0.448698 -0.065309 0.102 Uiso 1 1 calc R . . . .
H63B H 0.718334 0.513650 -0.070450 0.102 Uiso 1 1 calc R . . . .
C72 C 0.7311(3) 0.4900(9) -0.0166(5) 0.084(4) Uani 1 1 d D U . . .
H72 H 0.751315 0.488763 -0.022546 0.101 Uiso 1 1 calc R . . . .
C0BA C 0.7236(4) 0.4428(8) 0.0112(6) 0.085(4) Uani 1 1 d D U . . .
H0BA H 0.728583 0.407148 0.000140 0.102 Uiso 1 1 calc R . . . .
H0BB H 0.734343 0.447302 0.034269 0.102 Uiso 1 1 calc R . . . .
C1BA C 0.6919(4) 0.4440(7) 0.0200(5) 0.085(4) Uani 1 1 d D U . . .
H1BA H 0.687216 0.413510 0.037314 0.103 Uiso 1 1 calc R . . . .
C75 C 0.8132(8) 0.750000 0.2817(7) 0.140(9) Uani 1 2 d DS TU P . .
H75A H 0.829853 0.750000 0.297783 0.168 Uiso 1 2 calc RS T P . .
H75B H 0.796600 0.750000 0.297755 0.168 Uiso 1 2 calc RS T P . .
C38 C 0.8393(6) 0.750000 0.2060(9) 0.139(9) Uani 1 2 d DS TU P . .
H38 H 0.856039 0.750000 0.189773 0.167 Uiso 1 2 calc RS T P A .
C101 C 0.8124(8) 0.750000 0.1813(7) 0.139(9) Uani 1 2 d DS TU P A .
H10A H 0.812270 0.717295 0.165295 0.167 Uiso 0.5 1 calc R . . . .
H10B H 0.812270 0.782705 0.165295 0.167 Uiso 0.5 1 calc R . . . .
C28 C 0.8415(6) 0.5997(11) 0.0290(6) 0.143(6) Uani 1 1 d D U . . .
H28 H 0.846195 0.577554 0.006664 0.172 Uiso 1 1 calc R . . . .
C2BA C 0.8607(5) 0.5821(11) 0.0622(8) 0.144(6) Uani 1 1 d D U . . .
H2BA H 0.857816 0.542996 0.067774 0.173 Uiso 1 1 calc R . . . .
H2BB H 0.880434 0.587242 0.055271 0.173 Uiso 1 1 calc R . . . .
C3BA C 0.8538(5) 0.6173(12) 0.0971(6) 0.143(6) Uani 1 1 d D U . . .
H3BA H 0.866203 0.606350 0.117980 0.172 Uiso 1 1 calc R . . . .
C89 C 0.8582(5) 0.6795(12) 0.0884(8) 0.144(6) Uani 1 1 d D U . . .
H89A H 0.877747 0.686233 0.081572 0.173 Uiso 1 1 calc R . . . .
H89B H 0.853807 0.701591 0.110554 0.173 Uiso 1 1 calc R . . . .
C134 C 0.8386(6) 0.6966(9) 0.0555(8) 0.144(6) Uani 1 1 d D U . . .
C151 C 0.8459(6) 0.6619(13) 0.0202(6) 0.144(6) Uani 1 1 d D U . . .
H15A H 0.833758 0.672863 -0.000621 0.172 Uiso 1 1 calc R . . . .
H15B H 0.865362 0.668489 0.012893 0.172 Uiso 1 1 calc R . . . .
C4BA C 0.8075(5) 0.6866(11) 0.0669(8) 0.144(6) Uani 1 1 d D U . . .
H4BA H 0.795083 0.697862 0.046486 0.172 Uiso 1 1 calc R . . . .
H4BB H 0.802916 0.708553 0.088978 0.172 Uiso 1 1 calc R . . . .
C158 C 0.5711(5) 0.750000 -0.0636(8) 0.089(6) Uani 1 2 d DS TU P . .
H158 H 0.550363 0.749998 -0.062041 0.106 Uiso 1 2 calc RS T P A .
C138 C 0.5056(8) 0.750000 0.5849(9) 0.040(3) Uani 1 2 d S TU P . .
H13C H 0.493052 0.749999 0.606582 0.047 Uiso 1 2 calc RS T P . .
H13D H 0.493952 0.750001 0.562346 0.047 Uiso 1 2 calc RS T P . .
C90 C 0.6140(5) 0.6993(13) -0.0890(6) 0.089(5) Uani 1 1 d D U . . .
H90 H 0.620740 0.667629 -0.103839 0.107 Uiso 1 1 calc R . . . .
C281 C 0.8395(5) 0.69749(17) 0.2309(9) 0.139(9) Uani 1 1 d D U . . .
H28A H 0.839362 0.664530 0.215133 0.167 Uiso 1 1 calc R . . . .
H28B H 0.856523 0.696816 0.246178 0.167 Uiso 1 1 calc R . . . .
C2AA C 0.8132(6) 0.80240(14) 0.2567(7) 0.140(9) Uani 1 1 d D U . . .
H2AA H 0.813457 0.835659 0.272657 0.169 Uiso 1 1 calc R . . . .
C109 C 0.7863(5) 0.69741(18) 0.2320(9) 0.141(9) Uani 1 1 d D U . . .
H10C H 0.786007 0.664394 0.216279 0.169 Uiso 1 1 calc R . . . .
H10D H 0.769634 0.696871 0.247993 0.169 Uiso 1 1 calc R . . . .
C30 C 0.5879(5) 0.3236(8) 0.2706(5) 0.091(4) Uani 1 1 d D U . . .
C32 C 0.5576(4) 0.3446(8) 0.2758(5) 0.091(4) Uani 1 1 d D U . . .
H32 H 0.544969 0.325027 0.258307 0.110 Uiso 1 1 calc R . . . .
C45 C 0.6071(4) 0.4168(9) 0.2905(6) 0.091(4) Uani 1 1 d D U . . .
H45A H 0.619432 0.435965 0.308090 0.109 Uiso 1 1 calc R . . . .
H45B H 0.613879 0.424092 0.265115 0.109 Uiso 1 1 calc R . . . .
C48 C 0.5570(4) 0.4073(9) 0.2671(5) 0.091(4) Uani 1 1 d D U . . .
H48A H 0.537882 0.421351 0.269448 0.109 Uiso 1 1 calc R . . . .
H48B H 0.563309 0.413655 0.241352 0.109 Uiso 1 1 calc R . . . .
C79 C 0.5979(4) 0.3427(9) 0.3393(5) 0.091(4) Uani 1 1 d D U . . .
H79A H 0.598324 0.303076 0.344606 0.109 Uiso 1 1 calc R . . . .
H79B H 0.610530 0.361192 0.356848 0.109 Uiso 1 1 calc R . . . .
C117 C 0.6078(3) 0.3534(9) 0.2984(5) 0.091(4) Uani 1 1 d D U . . .
H117 H 0.627162 0.339402 0.295131 0.109 Uiso 1 1 calc R . . . .
C132 C 0.5475(4) 0.3347(9) 0.3168(6) 0.091(4) Uani 1 1 d D U . . .
H13E H 0.528366 0.348530 0.319868 0.109 Uiso 1 1 calc R . . . .
H13F H 0.547517 0.295164 0.322286 0.109 Uiso 1 1 calc R . . . .
C40 C 0.6408(5) 0.6041(18) 0.5580(10) 0.186(9) Uani 1 1 d D U . . .
H40A H 0.632992 0.567636 0.552821 0.223 Uiso 1 1 calc R . . . .
H40B H 0.626032 0.631563 0.554288 0.223 Uiso 1 1 calc R . . . .
C176 C 0.6657(7) 0.6160(16) 0.5309(6) 0.186(9) Uani 1 1 d D U . . .
C114 C 0.6995(6) 0.5738(14) 0.5778(9) 0.186(9) Uani 1 1 d D U . . .
H114 H 0.714330 0.545837 0.581554 0.223 Uiso 1 1 calc R . . . .
C208 C 0.6640(8) 0.6649(15) 0.6071(9) 0.186(9) Uani 1 1 d D U . . .
H20A H 0.649471 0.692913 0.603621 0.223 Uiso 1 1 calc R . . . .
H20B H 0.670538 0.666830 0.633001 0.223 Uiso 1 1 calc R . . . .
C209 C 0.7117(5) 0.6324(17) 0.5860(10) 0.186(9) Uani 1 1 d D U . . .
H20C H 0.718594 0.634037 0.611699 0.223 Uiso 1 1 calc R . . . .
H20D H 0.727386 0.639852 0.569131 0.223 Uiso 1 1 calc R . . . .
C227 C 0.6889(8) 0.5716(15) 0.5366(8) 0.186(9) Uani 1 1 d D U . . .
H22A H 0.704502 0.578533 0.519447 0.223 Uiso 1 1 calc R . . . .
H22B H 0.681305 0.534951 0.531162 0.223 Uiso 1 1 calc R . . . .
C131 C 0.6747(8) 0.5621(14) 0.6049(8) 0.186(9) Uani 1 1 d D U . . .
H13G H 0.666933 0.525474 0.599925 0.223 Uiso 1 1 calc R . . . .
H13H H 0.681288 0.562984 0.630807 0.223 Uiso 1 1 calc R . . . .
C229 C 0.6887(7) 0.6763(12) 0.5803(10) 0.186(9) Uani 1 1 d D U . . .
C236 C 0.6516(6) 0.6066(16) 0.5992(8) 0.186(9) Uani 1 1 d D U . . .
H236 H 0.635789 0.599464 0.616482 0.223 Uiso 1 1 calc R . . . .
C251 C 0.6781(8) 0.6742(14) 0.5396(9) 0.186(9) Uani 1 1 d D U . . .
H25C H 0.693618 0.682021 0.522441 0.223 Uiso 1 1 calc R . . . .
H25D H 0.663651 0.702342 0.535807 0.223 Uiso 1 1 calc R . . . .
S1 S 0.6345(2) 0.750000 0.0199(3) 0.065(2) Uani 1 2 d S TU P A .
C88 C 0.6216(13) 0.750000 -0.1057(14) 0.089(6) Uani 1 2 d S TU P . .
H88A H 0.642039 0.750002 -0.108173 0.107 Uiso 1 2 calc RS T P . .
H88B H 0.613894 0.749999 -0.131036 0.107 Uiso 1 2 calc RS T P . .
C1AA C 0.7262(12) 0.750000 0.4071(14) 0.083(6) Uani 1 2 d S TU P . .
C17 C 0.7696(8) 0.7078(18) 0.3847(10) 0.087(5) Uani 1 1 d . U . . .
C39 C 0.7732(8) 0.6854(18) 0.4170(10) 0.084(5) Uani 1 1 d . U . . .
H39 H 0.777984 0.647971 0.419067 0.101 Uiso 1 1 calc R . . . .
C99 C 0.7696(8) 0.7188(16) 0.4494(9) 0.085(5) Uani 1 1 d . U . . .
H99 H 0.776872 0.702035 0.472713 0.102 Uiso 1 1 calc R . . . .
C6BA C 0.7832(13) 0.750000 0.3757(14) 0.086(6) Uani 1 2 d S TU P . .
H6BA H 0.800880 0.749998 0.364044 0.104 Uiso 1 2 calc RS T P . .
C156 C 0.7320(8) 0.7221(16) 0.4468(9) 0.086(5) Uani 1 1 d . U . . .
H156 H 0.718743 0.698245 0.460714 0.104 Uiso 1 1 calc R . . . .
C9 C 0.7436(14) 0.750000 -0.0450(16) 0.106(14) Uani 1 2 d S TU P A .
C43 C 0.7266(11) 0.801(2) -0.0607(12) 0.123(13) Uani 1 1 d . U . . .
Ag5 Ag 0.67053(15) 0.6994(2) 0.33555(17) 0.0275(12) Uani 0.5 1 d . U . A 1
Ag6 Ag 0.62457(17) 0.6875(3) 0.28503(19) 0.0215(13) Uani 0.5 1 d . U . A 1


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag01 Ag06 2.863(2) . ?
Ag01 Ag06 2.863(2) 7_575 ?
Ag01 Ag0C 2.785(2) . ?
Ag01 Ag0C 2.786(2) 7_575 ?
Ag01 Ag 2.838(9) 7_575 ?
Ag01 Ag 2.838(9) . ?
Ag01 Ag1 2.745(7) . ?
Ag01 Ag1 2.745(7) 7_575 ?
Ag01 Ag5 2.828(7) 7_575 ?
Ag01 Ag5 2.828(7) . ?
Ag01 Ag6 2.825(8) . ?
Ag01 Ag6 2.824(8) 7_575 ?
Ag02 Ag 2.762(8) . ?
Ag02 Ag 2.762(8) 7_575 ?
Ag02 Ag0K 2.977(2) . ?
Ag02 Ag0K 2.977(2) 7_575 ?
Ag02 Ag1 2.890(7) . ?
Ag02 Ag1 2.890(7) 7_575 ?
Ag02 Ag0S 2.543(3) . ?
Ag02 Ag5 2.800(7) 7_575 ?
Ag02 Ag5 2.800(7) . ?
Ag02 Ag6 2.635(8) . ?
Ag02 Ag6 2.635(8) 7_575 ?
Ag03 Ag07 3.174(2) . ?
Ag03 Ag0L 3.077(2) . ?
Ag03 Ag0O 3.337(3) . ?
Ag03 Ag0S 3.1629(15) . ?
Ag03 S010 2.432(5) . ?
Ag03 S011 2.446(5) . ?
Ag04 Ag06 2.693(2) 7_575 ?
Ag04 Ag06 2.693(2) . ?
Ag04 Ag0C 2.853(2) 7_575 ?
Ag04 Ag0C 2.853(2) . ?
Ag04 Ag0N 3.010(3) 7_575 ?
Ag04 Ag0N 3.010(3) . ?
Ag04 Ag0V 2.533(4) . ?
Ag05 Br0Q 2.856(3) . ?
Ag05 S012 2.447(5) . ?
Ag05 S014 2.577(6) . ?
Ag05 S017 2.456(5) . ?
Ag06 Ag06 2.754(3) 7_575 ?
Ag06 Ag0C 2.840(2) 7_575 ?
Ag06 Ag0E 3.314(2) . ?
Ag06 Ag 2.791(8) . ?
Ag06 Ag0N 2.819(2) . ?
Ag06 Ag0P 3.014(3) . ?
Ag06 Br0Q 2.652(2) . ?
Ag06 Ag6 3.006(7) . ?
Ag07 Ag08 3.341(2) . ?
Ag07 Ag0K 2.990(2) . ?
Ag07 S010 2.430(5) . ?
Ag07 S012 2.404(5) . ?
Ag07 Ag6 3.243(7) . ?
Ag08 Ag0B 3.248(2) . ?
Ag08 Ag0K 3.006(2) . ?
Ag08 S00Z 2.384(6) . ?
Ag08 S012 2.400(6) . ?
Ag09 Ag0K 3.191(2) . ?
Ag09 Ag0P 3.118(3) . ?
Ag09 S00Y 2.411(4) . ?
Ag09 S014 2.398(5) . ?
Ag0A Ag0L 3.293(2) 7_575 ?
Ag0A Ag0L 3.294(2) . ?
Ag0A Ag0S 2.906(4) . ?
Ag0A S013 2.413(8) . ?
Ag0A S016 2.365(7) . ?
Ag0B Ag0K 3.244(2) . ?
Ag0B S00Z 2.444(5) . ?
Ag0B S011 2.438(5) . ?
Ag0C Ag0C 2.807(4) 7_575 ?
Ag0C Br0T 2.756(2) 7_575 ?
Ag0C S018 2.572(5) 7_575 ?
Ag0C S01A 2.791(7) . ?
Ag0D Ag0E 3.064(2) . ?
Ag0D Ag0J 3.359(3) . ?
Ag0D Ag0V 3.3570(18) . ?
Ag0D Ag2 3.069(5) 7_575 ?
Ag0D S018 2.416(5) . ?
Ag0D S01D 2.382(6) . ?
Ag0E Ag0N 2.914(3) . ?
Ag0E S017 2.419(6) . ?
Ag0E S018 2.429(6) . ?
Ag0F Ag0N 3.095(3) . ?
Ag0F Ag0P 3.176(3) . ?
Ag0F S014 2.419(5) . ?
Ag0F S015 2.424(4) . ?
Ag0G Ag0K 3.102(3) . ?
Ag0G Ag0K 3.102(3) 7_575 ?
Ag0G S00Y 2.410(6) . ?
Ag0G S016 2.361(7) . ?
Ag Ag 2.486(16) 7_575 ?
Ag Ag0K 2.791(9) . ?
Ag Ag0P 2.824(6) . ?
Ag Br0Q 2.732(9) . ?
Ag Ag1 2.866(9) . ?
Ag0I Ag0N 3.054(3) . ?
Ag0I Ag0U 3.127(3) . ?
Ag0I S017 2.385(6) . ?
Ag0I S01F 2.357(7) . ?
Ag0J Ag0J 3.353(4) 7_575 ?
Ag0J Ag0V 3.165(3) . ?
Ag0J Ag2 3.288(5) 7_575 ?
Ag0J S01A 2.437(6) . ?
Ag0J S01C 2.417(6) . ?
Ag0J Ag4 3.168(6) 7_575 ?
Ag0K Ag6 2.774(8) . ?
Ag0L Ag0O 3.313(3) . ?
Ag0L Ag0S 3.242(3) . ?
Ag0L S011 2.712(5) . ?
Ag0L S013 2.485(4) . ?
Ag0L S019 2.440(6) . ?
Ag0M Ag0N 3.158(3) 7_575 ?
Ag0M Ag0N 3.158(3) . ?
Ag0M S015 2.411(7) . ?
Ag0M S1 2.317(10) . ?
Ag0N Ag0U 3.297(3) . ?
Ag0O Ag0O 3.376(4) 7_575 ?
Ag0O Ag0S 3.165(3) . ?
Ag0O S019 2.412(6) . ?
Ag0O S01B 2.432(7) . ?
Ag0P Ag6 3.304(6) 7_575 ?
Ag0P Ag6 3.304(6) . ?
Br0Q Ag6 2.610(8) . ?
Ag1 Ag1 3.206(11) 7_575 ?
Ag1 Br0T 2.670(7) . ?
Ag1 S010 2.448(8) . ?
Br0T Ag5 2.824(7) . ?
Ag0U S01D 2.442(7) . ?
Ag0U S01F 2.439(8) . ?
Ag0V Ag2 3.099(6) . ?
Ag0V Ag2 3.099(6) 7_575 ?
Ag0V Ag3 2.931(5) 7_575 ?
Ag0V Ag3 2.931(5) . ?
Ag0V Ag4 3.331(7) . ?
Ag0V Ag4 3.331(7) 7_575 ?
Ag2 S01C 2.476(8) 7_575 ?
Ag2 S01D 2.802(8) 7_575 ?
Ag2 S01E 2.446(7) . ?
S00Y C01K 1.84(5) . ?
S00Z C01S 1.86(2) . ?
S010 C01L 1.87(2) . ?
S010 Ag5 2.695(8) . ?
S011 C01R 1.87(2) . ?
S012 C26 1.803(15) . ?
S013 C01Y 1.84(3) . ?
S014 C029 1.853(14) . ?
S015 C022 1.83(3) . ?
S017 C036 1.833(15) . ?
S018 C02G 1.85(3) . ?
S019 C176 1.88(2) . ?
S01A C02Z 1.92(2) . ?
S01B C1AA 1.89(6) . ?
S01B Ag5 2.660(8) . ?
S01B Ag5 2.660(8) 7_575 ?
S01C C03R 1.796(18) . ?
S01C Ag4 2.307(9) 7_575 ?
S01D Ag3 2.818(9) 7_575 ?
S01D C9AA 1.830(14) . ?
S01E Ag3 2.418(10) . ?
S01E Ag3 2.418(10) 7_575 ?
S01E Ag4 2.398(9) 7_575 ?
S01E Ag4 2.398(9) . ?
S01E C9 1.80(6) . ?
S01F C02X 1.86(4) . ?
C01J C01Q 1.60(3) . ?
C01J C01R 1.50(3) . ?
C01K C02S 1.54(5) . ?
C01K C02V 1.49(4) . ?
C01K C02V 1.49(4) 7_575 ?
C01L C01M 1.57(3) . ?
C01L C01P 1.46(3) . ?
C01L C033 1.49(3) . ?
C01M C024 1.49(3) . ?
C01N C01Y 1.60(4) . ?
C01N C027 1.57(4) . ?
C01O C021 1.54(3) . ?
C01O C 1.48(3) . ?
C01O C4 1.55(3) . ?
C01P C01Z 1.53(3) . ?
C01Q C01W 1.48(3) . ?
C01Q C 1.52(3) . ?
C01R C023 1.53(3) . ?
C01R C4 1.52(3) . ?
C01S C020 1.50(3) . ?
C01S C3 1.53(3) . ?
C01S C6 1.49(3) . ?
C01U C01W 1.59(3) . ?
C01U C021 1.46(3) . ?
C01U C023 1.60(3) . ?
C01Y C026 1.52(3) . ?
C01Y C026 1.52(3) 7_575 ?
C01Z C02A 1.50(3) . ?
C01Z C02Y 1.56(3) . ?
C020 C02B 1.48(3) . ?
C022 C02C 1.46(4) . ?
C022 C1 1.53(3) 7_575 ?
C022 C1 1.53(3) . ?
C024 C02A 1.55(3) . ?
C024 C03A 1.55(3) . ?
C026 C11 1.47(3) . ?
C027 C02W 1.55(3) . ?
C027 C02W 1.55(3) 7_575 ?
C029 C030 1.546(12) . ?
C029 C04O 1.560(12) . ?
C029 C129 1.523(12) . ?
C02B C02F 1.52(3) . ?
C02B C03M 1.58(3) . ?
C02C C02D 1.53(4) . ?
C02D C03E 1.61(3) . ?
C02D C03E 1.61(3) 7_575 ?
C02E C036 1.537(8) . ?
C02E C27 1.545(8) . ?
C02F C6AA 1.52(3) . ?
C02G C02H 1.51(4) . ?
C02G C02N 1.53(4) . ?
C02G C02Q 1.47(4) . ?
C02H C03P 1.51(4) . ?
C02I C039 1.546(8) . ?
C02I C26 1.535(8) . ?
C02N C59 1.57(4) . ?
C02Q C03F 1.59(4) . ?
C02S C038 1.69(5) . ?
C02S C038 1.69(5) 7_575 ?
C02V C84 1.62(4) . ?
C02W C11 1.53(3) . ?
C02X C037 1.51(4) . ?
C02X C03V 1.61(4) . ?
C02X C35 1.54(5) . ?
C02Y C03Y 1.56(3) . ?
C02Z C101 1.545(6) . ?
C02Z C109 1.544(4) . ?
C02Z C109 1.544(4) 7_575 ?
C030 C03W 1.521(13) . ?
C032 C035 1.50(3) . ?
C032 C035 1.50(3) 7_575 ?
C033 C03Y 1.55(3) . ?
C034 C03X 1.538(9) . ?
C034 C058 1.529(9) 7_575 ?
C034 C058 1.529(9) . ?
C034 S1 1.85(2) . ?
C035 C03E 1.49(3) . ?
C035 C1 1.53(3) . ?
C036 C25 1.546(8) . ?
C036 C98 1.530(8) . ?
C037 C68 1.46(4) . ?
C038 C038 0.81(6) 7_575 ?
C038 C192 1.40(4) 7_575 ?
C038 C192 1.99(4) . ?
C039 C79 1.546(8) . ?
C039 C132 1.539(8) . ?
C03A C03Y 1.54(3) . ?
C03F C53 1.49(4) . ?
C03F C0AA 1.53(4) . ?
C03J C03M 1.56(3) . ?
C03J C3 1.57(3) . ?
C03J C7AA 1.52(3) . ?
C03N C03P 1.50(4) . ?
C03N C59 1.60(4) . ?
C03P C0AA 1.51(4) . ?
C03R C045 1.546(8) . ?
C03R C74 1.544(8) . ?
C03R C4BA 1.543(8) . ?
C03V C059 1.58(5) . ?
C03W C19 1.562(12) . ?
C03W C177 1.524(13) . ?
C03X C158 1.533(9) . ?
C041 C27 1.537(8) . ?
C041 C65 1.541(8) . ?
C045 C28 1.547(8) . ?
C049 C158 1.535(9) . ?
C049 C90 1.528(9) . ?
C04O C175 1.541(12) . ?
C050 C059 1.64(5) . ?
C050 C68 1.39(4) . ?
C057 C65 1.542(8) . ?
C057 C71 1.537(8) . ?
C058 C90 1.544(9) . ?
C059 C152 1.36(5) . ?
C35 C93 1.54(5) . ?
C68 C116 1.54(5) . ?
C93 C152 1.38(4) . ?
C93 C116 1.56(5) . ?
C53 C59 1.50(4) . ?
C74 C3BA 1.538(8) . ?
C26 C45 1.537(8) . ?
C26 C48 1.542(8) . ?
C3AA C175 1.545(12) . ?
C3AA C180 1.514(13) . ?
C19 C180 1.520(13) . ?
C175 C177 1.559(12) . ?
C37 C84 1.33(4) . ?
C37 C84 1.33(4) 7_575 ?
C84 C192 1.40(4) 7_575 ?
Ag3 Ag3 1.036(11) 7_575 ?
Ag3 S1 2.345(11) . ?
C6 C6AA 1.50(3) . ?
C11 C138 1.55(3) . ?
C6AA C7AA 1.58(3) . ?
C25 C65 1.537(8) . ?
C27 C62 1.541(8) . ?
C62 C71 1.554(8) . ?
C71 C98 1.548(8) . ?
C180 C129 1.566(12) . ?
C7 C9AA 1.544(8) . ?
C7 C72 1.552(8) . ?
C13 C9AA 1.544(8) . ?
C13 C1BA 1.537(8) . ?
C4AA C29 1.537(9) . ?
C4AA C5AA 1.535(8) . ?
C4AA C63 1.542(8) . ?
C29 C9AA 1.551(8) . ?
C5AA C1BA 1.542(8) . ?
C63 C72 1.541(8) . ?
C72 C0BA 1.544(8) . ?
C0BA C1BA 1.532(8) . ?
C75 C2AA 1.541(4) 7_575 ?
C75 C2AA 1.541(4) . ?
C38 C101 1.542(6) . ?
C38 C281 1.540(4) 7_575 ?
C38 C281 1.540(4) . ?
C28 C2BA 1.545(8) . ?
C28 C151 1.541(8) . ?
C2BA C3BA 1.536(8) . ?
C3BA C89 1.541(8) . ?
C89 C134 1.543(8) . ?
C134 C151 1.543(8) . ?
C134 C4BA 1.543(8) . ?
C90 C88 1.40(4) . ?
C281 C2AA 1.540(4) 7_575 ?
C2AA C109 1.545(5) 7_575 ?
C30 C32 1.533(8) . ?
C30 C117 1.539(8) . ?
C32 C48 1.539(8) . ?
C32 C132 1.547(8) . ?
C45 C117 1.550(8) . ?
C79 C117 1.546(8) . ?
C40 C176 1.545(8) . ?
C40 C236 1.546(8) . ?
C176 C227 1.542(8) . ?
C176 C251 1.548(8) . ?
C114 C209 1.548(8) . ?
C114 C227 1.547(8) . ?
C114 C131 1.543(8) . ?
C208 C229 1.529(9) . ?
C208 C236 1.545(8) . ?
C209 C229 1.527(9) . ?
C131 C236 1.542(8) . ?
C229 C251 1.529(9) . ?
C1AA C156 1.58(5) 7_575 ?
C1AA C156 1.58(5) . ?
C17 C17 2.03(9) 7_575 ?
C17 C39 1.28(4) . ?
C17 C6BA 1.24(5) . ?
C39 C99 1.41(4) . ?
C99 C99 1.50(8) 7_575 ?
C99 C156 1.78(5) . ?
C156 C156 1.34(8) 7_575 ?
C9 C43 1.56(6) . ?
C9 C43 1.56(6) 7_575 ?
Ag5 Ag5 2.430(12) 7_575 ?
Ag5 Ag6 2.830(9) . ?
Ag6 Ag6 3.004(15) 7_575 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Ag06 Ag01 Ag06 57.50(7) 7_575 . ?
Ag0C Ag01 Ag06 60.35(6) 7_575 . ?
Ag0C Ag01 Ag06 89.43(6) . . ?
Ag0C Ag01 Ag06 89.42(6) 7_575 7_575 ?
Ag0C Ag01 Ag06 60.35(6) . 7_575 ?
Ag0C Ag01 Ag0C 60.51(9) . 7_575 ?
Ag0C Ag01 Ag 142.38(14) 7_575 7_575 ?
Ag0C Ag01 Ag 110.53(19) 7_575 . ?
Ag0C Ag01 Ag 110.53(19) . 7_575 ?
Ag0C Ag01 Ag 142.38(14) . . ?
Ag0C Ag01 Ag5 148.48(16) 7_575 7_575 ?
Ag0C Ag01 Ag5 114.81(14) 7_575 . ?
Ag0C Ag01 Ag5 148.48(16) . . ?
Ag0C Ag01 Ag5 114.80(14) . 7_575 ?
Ag0C Ag01 Ag6 151.04(15) 7_575 7_575 ?
Ag0C Ag01 Ag6 109.83(17) 7_575 . ?
Ag0C Ag01 Ag6 151.04(15) . . ?
Ag0C Ag01 Ag6 109.82(17) . 7_575 ?
Ag Ag01 Ag06 58.62(16) . . ?
Ag Ag01 Ag06 84.30(13) 7_575 . ?
Ag1 Ag01 Ag06 105.07(12) . . ?
Ag1 Ag01 Ag06 145.27(17) 7_575 . ?
Ag1 Ag01 Ag0C 154.34(17) . . ?
Ag1 Ag01 Ag0C 108.24(13) 7_575 . ?
Ag1 Ag01 Ag 92.2(2) 7_575 . ?
Ag1 Ag01 Ag 61.74(18) . . ?
Ag1 Ag01 Ag6 52.22(19) 7_575 7_575 ?
Ag1 Ag01 Ag6 90.5(2) . 7_575 ?
Ag5 Ag01 Ag06 116.14(12) . . ?
Ag5 Ag01 Ag06 116.14(12) 7_575 7_575 ?
Ag5 Ag01 Ag06 148.64(17) 7_575 . ?
Ag5 Ag01 Ag06 148.64(17) . 7_575 ?
Ag5 Ag01 Ag 91.1(2) . 7_575 ?
Ag5 Ag01 Ag 69.09(18) 7_575 7_575 ?
Ag5 Ag01 Ag5 50.9(2) 7_575 . ?
Ag6 Ag01 Ag06 94.03(13) 7_575 . ?
Ag6 Ag01 Ag06 63.82(15) . . ?
Ag6 Ag01 Ag06 63.82(15) 7_575 7_575 ?
Ag6 Ag01 Ag06 94.04(13) . 7_575 ?
Ag6 Ag01 Ag 9.77(17) 7_575 7_575 ?
Ag6 Ag01 Ag 58.69(12) . 7_575 ?
Ag6 Ag01 Ag5 87.6(2) . 7_575 ?
Ag6 Ag01 Ag5 87.6(2) 7_575 . ?
Ag6 Ag01 Ag5 60.08(18) . . ?
Ag6 Ag01 Ag5 60.09(18) 7_575 7_575 ?
Ag6 Ag01 Ag6 64.2(3) 7_575 . ?
Ag Ag02 Ag 53.5(3) 7_575 . ?
Ag Ag02 Ag0K 58.06(18) . . ?
Ag Ag02 Ag0K 93.18(15) 7_575 . ?
Ag Ag02 Ag1 60.88(19) . . ?
Ag Ag02 Ag1 90.7(2) 7_575 . ?
Ag0K Ag02 Ag0K 80.98(9) 7_575 . ?
Ag1 Ag02 Ag0K 148.42(14) 7_575 . ?
Ag1 Ag02 Ag0K 97.56(12) . . ?
Ag0S Ag02 Ag 152.46(15) . . ?
Ag0S Ag02 Ag 152.46(15) . 7_575 ?
Ag0S Ag02 Ag0K 100.30(8) . . ?
Ag0S Ag02 Ag0K 100.30(8) . 7_575 ?
Ag0S Ag02 Ag1 110.92(15) . . ?
Ag0S Ag02 Ag1 110.92(15) . 7_575 ?
Ag0S Ag02 Ag5 104.96(15) . . ?
Ag0S Ag02 Ag5 104.96(15) . 7_575 ?
Ag0S Ag02 Ag6 145.25(14) . . ?
Ag0S Ag02 Ag6 145.25(14) . 7_575 ?
Ag5 Ag02 Ag0K 150.88(16) 7_575 . ?
Ag5 Ag02 Ag0K 150.88(16) . 7_575 ?
Ag5 Ag02 Ag0K 108.07(12) . . ?
Ag5 Ag02 Ag0K 108.07(12) 7_575 7_575 ?
Ag5 Ag02 Ag1 59.99(14) . 7_575 ?
Ag5 Ag02 Ag1 11.02(13) 7_575 7_575 ?
Ag5 Ag02 Ag5 51.4(2) . 7_575 ?
Ag6 Ag02 Ag 61.83(14) . 7_575 ?
Ag6 Ag02 Ag 9.9(2) 7_575 7_575 ?
Ag6 Ag02 Ag0K 102.89(15) . 7_575 ?
Ag6 Ag02 Ag0K 58.86(18) . . ?
Ag6 Ag02 Ag0K 102.89(15) 7_575 . ?
Ag6 Ag02 Ag0K 58.86(18) 7_575 7_575 ?
Ag6 Ag02 Ag1 91.3(2) . 7_575 ?
Ag6 Ag02 Ag1 52.5(2) 7_575 7_575 ?
Ag6 Ag02 Ag5 92.0(2) 7_575 . ?
Ag6 Ag02 Ag5 62.66(19) 7_575 7_575 ?
Ag6 Ag02 Ag5 62.66(19) . . ?
Ag6 Ag02 Ag5 92.0(2) . 7_575 ?
Ag6 Ag02 Ag6 69.5(3) . 7_575 ?
Ag07 Ag03 Ag0O 117.77(6) . . ?
Ag0L Ag03 Ag07 175.00(7) . . ?
Ag0L Ag03 Ag0O 62.03(6) . . ?
Ag0L Ag03 Ag0S 62.58(6) . . ?
Ag0S Ag03 Ag07 121.96(7) . . ?
Ag0S Ag03 Ag0O 58.20(7) . . ?
S010 Ag03 Ag07 49.23(12) . . ?
S010 Ag03 Ag0L 129.63(14) . . ?
S010 Ag03 Ag0O 68.90(13) . . ?
S010 Ag03 Ag0S 100.71(13) . . ?
S010 Ag03 S011 167.23(17) . . ?
S011 Ag03 Ag07 122.59(13) . . ?
S011 Ag03 Ag0L 57.45(12) . . ?
S011 Ag03 Ag0O 119.47(13) . . ?
S011 Ag03 Ag0S 92.04(13) . . ?
Ag06 Ag04 Ag06 61.50(8) 7_575 . ?
Ag06 Ag04 Ag0C 61.52(6) 7_575 . ?
Ag06 Ag04 Ag0C 61.52(6) . 7_575 ?
Ag06 Ag04 Ag0C 91.50(7) 7_575 7_575 ?
Ag06 Ag04 Ag0C 91.50(7) . . ?
Ag06 Ag04 Ag0N 58.92(5) 7_575 7_575 ?
Ag06 Ag04 Ag0N 98.25(8) 7_575 . ?
Ag06 Ag04 Ag0N 58.92(5) . . ?
Ag06 Ag04 Ag0N 98.25(8) . 7_575 ?
Ag0C Ag04 Ag0C 58.93(8) 7_575 . ?
Ag0C Ag04 Ag0N 150.31(8) 7_575 7_575 ?
Ag0C Ag04 Ag0N 103.54(6) 7_575 . ?
Ag0C Ag04 Ag0N 150.31(8) . . ?
Ag0C Ag04 Ag0N 103.54(6) . 7_575 ?
Ag0N Ag04 Ag0N 80.35(9) 7_575 . ?
Ag0V Ag04 Ag06 149.10(4) . 7_575 ?
Ag0V Ag04 Ag06 149.10(4) . . ?
Ag0V Ag04 Ag0C 107.96(10) . 7_575 ?
Ag0V Ag04 Ag0C 107.97(10) . . ?
Ag0V Ag04 Ag0N 100.10(9) . . ?
Ag0V Ag04 Ag0N 100.11(9) . 7_575 ?
S012 Ag05 Br0Q 90.44(14) . . ?
S012 Ag05 S014 103.28(17) . . ?
S012 Ag05 S017 151.71(19) . . ?
S014 Ag05 Br0Q 104.73(13) . . ?
S017 Ag05 Br0Q 92.17(15) . . ?
S017 Ag05 S014 103.26(18) . . ?
Ag01 Ag06 Ag0E 132.31(7) . . ?
Ag01 Ag06 Ag0P 94.52(7) . . ?
Ag01 Ag06 Ag6 57.47(16) . . ?
Ag04 Ag06 Ag01 90.36(6) . . ?
Ag04 Ag06 Ag06 59.25(4) . 7_575 ?
Ag04 Ag06 Ag0C 62.02(6) . 7_575 ?
Ag04 Ag06 Ag0E 92.84(6) . . ?
Ag04 Ag06 Ag 144.22(18) . . ?
Ag04 Ag06 Ag0N 66.17(6) . . ?
Ag04 Ag06 Ag0P 109.51(7) . . ?
Ag04 Ag06 Ag6 145.91(17) . . ?
Ag06 Ag06 Ag01 61.25(3) 7_575 . ?
Ag06 Ag06 Ag0C 90.53(5) 7_575 7_575 ?
Ag06 Ag06 Ag0E 151.06(4) 7_575 . ?
Ag06 Ag06 Ag 87.25(16) 7_575 . ?
Ag06 Ag06 Ag0N 101.56(5) 7_575 . ?
Ag06 Ag06 Ag0P 62.81(4) 7_575 . ?
Ag06 Ag06 Ag6 92.38(14) 7_575 . ?
Ag0C Ag06 Ag01 58.48(5) 7_575 . ?
Ag0C Ag06 Ag0E 81.60(6) 7_575 . ?
Ag0C Ag06 Ag0P 149.94(7) 7_575 . ?
Ag0C Ag06 Ag6 103.45(15) 7_575 . ?
Ag Ag06 Ag01 60.24(18) . . ?
Ag Ag06 Ag0E 121.62(17) . . ?
Ag Ag06 Ag0N 139.54(18) . . ?
Ag Ag06 Ag0P 58.08(14) . . ?
Ag0N Ag06 Ag01 156.33(7) . . ?
Ag0N Ag06 Ag0C 109.01(7) . 7_575 ?
Ag0N Ag06 Ag0E 56.05(6) . . ?
Ag0N Ag06 Ag0P 90.84(8) . . ?
Ag0N Ag06 Ag6 144.33(17) . . ?
Ag0P Ag06 Ag0E 128.44(7) . . ?
Br0Q Ag06 Ag01 94.09(6) . . ?
Br0Q Ag06 Ag04 149.04(9) . . ?
Br0Q Ag06 Ag06 146.80(5) . 7_575 ?
Br0Q Ag06 Ag0C 94.69(8) . 7_575 ?
Br0Q Ag06 Ag0E 62.01(6) . . ?
Br0Q Ag06 Ag 60.20(16) . . ?
Br0Q Ag06 Ag0N 107.57(8) . . ?
Br0Q Ag06 Ag0P 100.67(8) . . ?
Br0Q Ag06 Ag6 54.51(15) . . ?
Ag6 Ag06 Ag0E 116.51(15) . . ?
Ag6 Ag06 Ag0P 66.57(14) . . ?
Ag03 Ag07 Ag08 94.46(6) . . ?
Ag03 Ag07 Ag6 90.86(14) . . ?
Ag0K Ag07 Ag03 68.82(5) . . ?
Ag0K Ag07 Ag08 56.37(5) . . ?
Ag0K Ag07 Ag6 52.65(15) . . ?
S010 Ag07 Ag03 49.27(12) . . ?
S010 Ag07 Ag08 142.36(13) . . ?
S010 Ag07 Ag0K 95.22(13) . . ?
S010 Ag07 Ag6 74.51(17) . . ?
S012 Ag07 Ag03 134.08(14) . . ?
S012 Ag07 Ag08 45.88(13) . . ?
S012 Ag07 Ag0K 96.13(14) . . ?
S012 Ag07 S010 168.39(18) . . ?
S012 Ag07 Ag6 114.64(17) . . ?
Ag6 Ag07 Ag08 100.11(14) . . ?
Ag0B Ag08 Ag07 88.49(5) . . ?
Ag0K Ag08 Ag07 55.90(5) . . ?
Ag0K Ag08 Ag0B 62.35(5) . . ?
S00Z Ag08 Ag07 136.10(13) . . ?
S00Z Ag08 Ag0B 48.50(13) . . ?
S00Z Ag08 Ag0K 90.54(13) . . ?
S00Z Ag08 S012 171.22(17) . . ?
S012 Ag08 Ag07 45.99(13) . . ?
S012 Ag08 Ag0B 130.20(14) . . ?
S012 Ag08 Ag0K 95.80(14) . . ?
Ag0P Ag09 Ag0K 83.33(7) . . ?
S00Y Ag09 Ag0K 85.54(16) . . ?
S00Y Ag09 Ag0P 92.93(13) . . ?
S014 Ag09 Ag0K 114.29(14) . . ?
S014 Ag09 Ag0P 90.12(14) . . ?
S014 Ag09 S00Y 160.2(2) . . ?
Ag0L Ag0A Ag0L 80.29(9) 7_575 . ?
Ag0S Ag0A Ag0L 62.69(6) . . ?
Ag0S Ag0A Ag0L 62.69(6) . 7_575 ?
S013 Ag0A Ag0L 48.68(10) . 7_575 ?
S013 Ag0A Ag0L 48.68(10) . . ?
S013 Ag0A Ag0S 83.4(2) . . ?
S016 Ag0A Ag0L 134.33(9) . 7_575 ?
S016 Ag0A Ag0L 134.33(9) . . ?
S016 Ag0A Ag0S 103.0(2) . . ?
S016 Ag0A S013 173.7(3) . . ?
Ag0K Ag0B Ag08 55.18(5) . . ?
S00Z Ag0B Ag08 46.95(14) . . ?
S00Z Ag0B Ag0K 84.08(13) . . ?
S011 Ag0B Ag08 123.91(13) . . ?
S011 Ag0B Ag0K 105.25(13) . . ?
S011 Ag0B S00Z 159.30(17) . . ?
Ag01 Ag0C Ag04 88.72(6) . . ?
Ag01 Ag0C Ag06 61.17(6) . 7_575 ?
Ag01 Ag0C Ag0C 59.75(4) . 7_575 ?
Ag01 Ag0C S01A 113.93(12) . . ?
Ag06 Ag0C Ag04 56.46(6) 7_575 . ?
Ag0C Ag0C Ag04 60.53(4) 7_575 . ?
Ag0C Ag0C Ag06 89.47(5) 7_575 7_575 ?
Br0T Ag0C Ag01 63.15(6) 7_575 . ?
Br0T Ag0C Ag04 151.55(8) 7_575 . ?
Br0T Ag0C Ag06 102.54(8) 7_575 7_575 ?
Br0T Ag0C Ag0C 104.43(6) 7_575 7_575 ?
Br0T Ag0C S01A 110.50(17) 7_575 . ?
S018 Ag0C Ag01 144.66(15) 7_575 . ?
S018 Ag0C Ag04 88.41(13) 7_575 . ?
S018 Ag0C Ag06 88.36(14) 7_575 7_575 ?
S018 Ag0C Ag0C 143.38(13) 7_575 7_575 ?
S018 Ag0C Br0T 111.72(14) 7_575 7_575 ?
S018 Ag0C S01A 100.74(17) 7_575 . ?
S01A Ag0C Ag04 83.74(15) . . ?
S01A Ag0C Ag06 139.07(14) . 7_575 ?
S01A Ag0C Ag0C 59.81(8) . 7_575 ?
Ag0E Ag0D Ag0J 113.49(6) . . ?
Ag0E Ag0D Ag0V 115.01(8) . . ?
Ag0E Ag0D Ag2 172.19(12) . 7_575 ?
Ag0V Ag0D Ag0J 56.23(7) . . ?
Ag2 Ag0D Ag0J 61.35(10) 7_575 . ?
Ag2 Ag0D Ag0V 57.46(12) 7_575 . ?
S018 Ag0D Ag0E 50.97(15) . . ?
S018 Ag0D Ag0J 63.94(15) . . ?
S018 Ag0D Ag0V 95.86(14) . . ?
S018 Ag0D Ag2 125.01(18) . 7_575 ?
S01D Ag0D Ag0E 123.64(18) . . ?
S01D Ag0D Ag0J 121.24(18) . . ?
S01D Ag0D Ag0V 86.56(17) . . ?
S01D Ag0D Ag2 60.31(19) . 7_575 ?
S01D Ag0D S018 174.6(2) . . ?
Ag0D Ag0E Ag06 99.29(6) . . ?
Ag0N Ag0E Ag06 53.35(5) . . ?
Ag0N Ag0E Ag0D 74.97(6) . . ?
S017 Ag0E Ag06 113.52(13) . . ?
S017 Ag0E Ag0D 130.27(14) . . ?
S017 Ag0E Ag0N 95.23(16) . . ?
S017 Ag0E S018 163.44(19) . . ?
S018 Ag0E Ag06 80.64(13) . . ?
S018 Ag0E Ag0D 50.59(13) . . ?
S018 Ag0E Ag0N 100.40(14) . . ?
Ag0N Ag0F Ag0P 83.01(7) . . ?
S014 Ag0F Ag0N 113.49(14) . . ?
S014 Ag0F Ag0P 88.38(12) . . ?
S014 Ag0F S015 159.6(2) . . ?
S015 Ag0F Ag0N 86.84(18) . . ?
S015 Ag0F Ag0P 93.65(13) . . ?
Ag0K Ag0G Ag0K 77.10(8) . 7_575 ?
S00Y Ag0G Ag0K 87.58(14) . . ?
S00Y Ag0G Ag0K 87.58(14) . 7_575 ?
S016 Ag0G Ag0K 103.29(16) . 7_575 ?
S016 Ag0G Ag0K 103.29(16) . . ?
S016 Ag0G S00Y 166.0(3) . . ?
Ag01 Ag Ag1 57.5(2) . . ?
Ag02 Ag Ag01 88.1(2) . . ?
Ag02 Ag Ag06 147.8(3) . . ?
Ag02 Ag Ag0K 64.84(19) . . ?
Ag02 Ag Ag0P 115.8(3) . . ?
Ag02 Ag Ag1 61.77(19) . . ?
Ag06 Ag Ag01 61.14(18) . . ?
Ag06 Ag Ag0K 146.3(3) . . ?
Ag06 Ag Ag0P 64.92(15) . . ?
Ag06 Ag Ag1 103.8(3) . . ?
Ag Ag Ag01 64.02(16) 7_575 . ?
Ag Ag Ag02 63.25(14) 7_575 . ?
Ag Ag Ag06 92.75(16) 7_575 . ?
Ag Ag Ag0K 104.31(17) 7_575 . ?
Ag Ag Ag0P 63.89(18) 7_575 . ?
Ag Ag Br0Q 149.44(16) 7_575 . ?
Ag Ag Ag1 97.2(2) 7_575 . ?
Ag0K Ag Ag01 152.5(3) . . ?
Ag0K Ag Ag0P 96.7(2) . . ?
Ag0K Ag Ag1 102.6(2) . . ?
Ag0P Ag Ag01 99.4(2) . . ?
Ag0P Ag Ag1 156.1(3) . . ?
Br0Q Ag Ag01 92.9(3) . . ?
Br0Q Ag Ag02 139.9(2) . . ?
Br0Q Ag Ag06 57.37(18) . . ?
Br0Q Ag Ag0K 104.8(3) . . ?
Br0Q Ag Ag0P 103.6(3) . . ?
Br0Q Ag Ag1 85.3(2) . . ?
Ag0N Ag0I Ag0U 64.46(6) . . ?
S017 Ag0I Ag0N 92.43(14) . . ?
S017 Ag0I Ag0U 127.55(16) . . ?
S01F Ag0I Ag0N 95.5(2) . . ?
S01F Ag0I Ag0U 50.4(2) . . ?
S01F Ag0I S017 168.7(2) . . ?
Ag0J Ag0J Ag0D 119.47(5) 7_575 . ?
Ag0V Ag0J Ag0D 61.86(6) . . ?
Ag0V Ag0J Ag0J 58.01(5) . 7_575 ?
Ag0V Ag0J Ag2 57.36(10) . 7_575 ?
Ag0V Ag0J Ag4 63.46(13) . 7_575 ?
Ag2 Ag0J Ag0D 54.97(10) 7_575 . ?
S01A Ag0J Ag0D 123.33(19) . . ?
S01A Ag0J Ag0J 46.53(13) . 7_575 ?
S01A Ag0J Ag0V 85.08(17) . . ?
S01A Ag0J Ag2 139.24(18) . 7_575 ?
S01A Ag0J Ag4 137.70(19) . 7_575 ?
S01C Ag0J Ag0D 69.60(16) . . ?
S01C Ag0J Ag0J 132.60(16) . 7_575 ?
S01C Ag0J Ag0V 105.24(16) . . ?
S01C Ag0J Ag2 48.53(18) . 7_575 ?
S01C Ag0J S01A 166.8(2) . . ?
S01C Ag0J Ag4 46.41(19) . 7_575 ?
Ag4 Ag0J Ag0D 67.19(11) 7_575 . ?
Ag4 Ag0J Ag0J 91.51(12) 7_575 7_575 ?
Ag4 Ag0J Ag2 12.48(9) 7_575 7_575 ?
Ag02 Ag0K Ag07 97.75(7) . . ?
Ag02 Ag0K Ag08 163.87(8) . . ?
Ag02 Ag0K Ag09 126.25(7) . . ?
Ag02 Ag0K Ag0B 114.09(7) . . ?
Ag02 Ag0K Ag0G 93.80(6) . . ?
Ag07 Ag0K Ag08 67.73(6) . . ?
Ag07 Ag0K Ag09 108.65(7) . . ?
Ag07 Ag0K Ag0B 94.96(6) . . ?
Ag07 Ag0K Ag0G 160.32(8) . . ?
Ag08 Ag0K Ag09 67.38(6) . . ?
Ag08 Ag0K Ag0B 62.48(5) . . ?
Ag08 Ag0K Ag0G 98.36(7) . . ?
Ag09 Ag0K Ag0B 109.31(7) . . ?
Ag0G Ag0K Ag09 76.46(6) . . ?
Ag0G Ag0K Ag0B 65.69(6) . . ?
Ag Ag0K Ag02 57.10(18) . . ?
Ag Ag0K Ag07 76.10(16) . . ?
Ag Ag0K Ag08 122.25(19) . . ?
Ag Ag0K Ag09 84.58(15) . . ?
Ag Ag0K Ag0B 165.51(14) . . ?
Ag Ag0K Ag0G 123.57(16) . . ?
Ag6 Ag0K Ag02 54.40(17) . . ?
Ag6 Ag0K Ag07 68.37(15) . . ?
Ag6 Ag0K Ag08 121.67(18) . . ?
Ag6 Ag0K Ag09 93.09(14) . . ?
Ag6 Ag0K Ag0B 155.77(14) . . ?
Ag6 Ag0K Ag0G 131.09(16) . . ?
Ag03 Ag0L Ag0A 85.83(6) . . ?
Ag03 Ag0L Ag0O 62.84(6) . . ?
Ag03 Ag0L Ag0S 60.00(5) . . ?
Ag0A Ag0L Ag0O 110.41(7) . . ?
Ag0S Ag0L Ag0A 52.79(7) . . ?
Ag0S Ag0L Ag0O 57.74(7) . . ?
S011 Ag0L Ag03 49.50(11) . . ?
S011 Ag0L Ag0A 67.25(11) . . ?
S011 Ag0L Ag0O 112.33(12) . . ?
S011 Ag0L Ag0S 85.68(11) . . ?
S013 Ag0L Ag03 129.72(17) . . ?
S013 Ag0L Ag0A 46.82(17) . . ?
S013 Ag0L Ag0O 112.60(17) . . ?
S013 Ag0L Ag0S 75.49(15) . . ?
S013 Ag0L S011 108.9(2) . . ?
S019 Ag0L Ag03 77.72(15) . . ?
S019 Ag0L Ag0A 156.23(15) . . ?
S019 Ag0L Ag0O 46.59(15) . . ?
S019 Ag0L Ag0S 103.67(15) . . ?
S019 Ag0L S011 112.12(19) . . ?
S019 Ag0L S013 138.8(3) . . ?
Ag0N Ag0M Ag0N 75.89(8) . 7_575 ?
S015 Ag0M Ag0N 85.63(14) . 7_575 ?
S015 Ag0M Ag0N 85.63(14) . . ?
S1 Ag0M Ag0N 103.8(2) . 7_575 ?
S1 Ag0M Ag0N 103.8(2) . . ?
S1 Ag0M S015 167.9(3) . . ?
Ag04 Ag0N Ag0F 126.67(8) . . ?
Ag04 Ag0N Ag0I 163.02(9) . . ?
Ag04 Ag0N Ag0M 94.11(7) . . ?
Ag04 Ag0N Ag0U 116.16(8) . . ?
Ag06 Ag0N Ag04 54.92(6) . . ?
Ag06 Ag0N Ag0E 70.61(6) . . ?
Ag06 Ag0N Ag0F 90.12(7) . . ?
Ag06 Ag0N Ag0I 123.43(8) . . ?
Ag06 Ag0N Ag0M 128.67(8) . . ?
Ag06 Ag0N Ag0U 159.82(9) . . ?
Ag0E Ag0N Ag04 95.12(7) . . ?
Ag0E Ag0N Ag0F 110.71(8) . . ?
Ag0E Ag0N Ag0I 70.05(7) . . ?
Ag0E Ag0N Ag0M 160.15(8) . . ?
Ag0E Ag0N Ag0U 93.94(7) . . ?
Ag0F Ag0N Ag0M 77.11(7) . . ?
Ag0F Ag0N Ag0U 107.90(7) . . ?
Ag0I Ag0N Ag0F 68.25(6) . . ?
Ag0I Ag0N Ag0M 97.71(7) . . ?
Ag0I Ag0N Ag0U 58.85(7) . . ?
Ag0M Ag0N Ag0U 66.21(6) . . ?
Ag03 Ag0O Ag0O 115.46(4) . 7_575 ?
Ag0L Ag0O Ag03 55.13(5) . . ?
Ag0L Ag0O Ag0O 97.56(5) . 7_575 ?
Ag0S Ag0O Ag03 58.14(5) . . ?
Ag0S Ag0O Ag0L 60.01(6) . . ?
Ag0S Ag0O Ag0O 57.78(5) . 7_575 ?
S019 Ag0O Ag03 72.92(16) . . ?
S019 Ag0O Ag0L 47.30(15) . . ?
S019 Ag0O Ag0O 133.41(15) . 7_575 ?
S019 Ag0O Ag0S 106.61(16) . . ?
S019 Ag0O S01B 170.0(3) . . ?
S01B Ag0O Ag03 116.92(19) . . ?
S01B Ag0O Ag0L 139.10(18) . . ?
S01B Ag0O Ag0O 46.05(15) . 7_575 ?
S01B Ag0O Ag0S 81.51(18) . . ?
Ag06 Ag0P Ag06 54.38(7) . 7_575 ?
Ag06 Ag0P Ag09 167.01(9) 7_575 . ?
Ag06 Ag0P Ag09 115.93(4) . . ?
Ag06 Ag0P Ag09 167.02(9) . 7_575 ?
Ag06 Ag0P Ag09 115.93(4) 7_575 7_575 ?
Ag06 Ag0P Ag0F 85.17(6) 7_575 7_575 ?
Ag06 Ag0P Ag0F 85.17(6) . . ?
Ag06 Ag0P Ag0F 116.51(9) . 7_575 ?
Ag06 Ag0P Ag0F 116.51(9) 7_575 . ?
Ag06 Ag0P Ag6 82.24(16) . 7_575 ?
Ag06 Ag0P Ag6 82.24(16) 7_575 . ?
Ag06 Ag0P Ag6 56.61(15) . . ?
Ag06 Ag0P Ag6 56.61(15) 7_575 7_575 ?
Ag09 Ag0P Ag09 72.01(8) . 7_575 ?
Ag09 Ag0P Ag0F 107.69(9) . 7_575 ?
Ag09 Ag0P Ag0F 107.69(9) 7_575 . ?
Ag09 Ag0P Ag0F 67.74(6) 7_575 7_575 ?
Ag09 Ag0P Ag0F 67.74(6) . . ?
Ag09 Ag0P Ag6 84.95(15) . . ?
Ag09 Ag0P Ag6 84.95(15) 7_575 7_575 ?
Ag09 Ag0P Ag6 116.52(16) . 7_575 ?
Ag09 Ag0P Ag6 116.52(16) 7_575 . ?
Ag0F Ag0P Ag0F 70.99(8) 7_575 . ?
Ag0F Ag0P Ag6 167.28(17) . 7_575 ?
Ag0F Ag0P Ag6 116.59(14) 7_575 7_575 ?
Ag0F Ag0P Ag6 167.28(17) 7_575 . ?
Ag0F Ag0P Ag6 116.59(14) . . ?
Ag Ag0P Ag06 57.00(18) . . ?
Ag Ag0P Ag06 81.82(18) 7_575 . ?
Ag Ag0P Ag09 85.41(18) . . ?
Ag Ag0P Ag09 115.9(2) 7_575 . ?
Ag Ag0P Ag0F 166.71(19) 7_575 . ?
Ag Ag0P Ag0F 117.52(18) . . ?
Ag Ag0P Ag6 0.9(3) 7_575 7_575 ?
Ag Ag0P Ag6 53.15(9) . 7_575 ?
Ag6 Ag0P Ag6 54.1(3) . 7_575 ?
Ag06 Br0Q Ag05 113.23(8) . . ?
Ag06 Br0Q Ag 62.42(15) . . ?
Ag Br0Q Ag05 112.66(19) . . ?
Ag6 Br0Q Ag05 117.36(19) . . ?
Ag6 Br0Q Ag06 69.69(15) . . ?
Ag01 Ag1 Ag02 87.32(18) . . ?
Ag01 Ag1 Ag 60.7(2) . . ?
Ag01 Ag1 Ag1 54.27(11) . 7_575 ?
Ag02 Ag1 Ag1 56.31(12) . 7_575 ?
Ag Ag1 Ag02 57.4(2) . . ?
Br0T Ag1 Ag01 64.79(16) . . ?
Br0T Ag1 Ag02 151.8(3) . . ?
Br0T Ag1 Ag 108.0(3) . . ?
Br0T Ag1 Ag1 100.50(13) . 7_575 ?
S010 Ag1 Ag01 154.2(3) . . ?
S010 Ag1 Ag02 89.1(2) . . ?
S010 Ag1 Ag 96.2(3) . . ?
S010 Ag1 Ag1 139.60(18) . 7_575 ?
S010 Ag1 Br0T 117.8(3) . . ?
Ag02 Ag0S Ag03 81.99(5) . 7_575 ?
Ag02 Ag0S Ag03 81.99(5) . . ?
Ag02 Ag0S Ag0A 127.41(13) . . ?
Ag02 Ag0S Ag0L 139.01(5) . . ?
Ag02 Ag0S Ag0L 139.01(5) . 7_575 ?
Ag02 Ag0S Ag0O 96.57(10) . . ?
Ag02 Ag0S Ag0O 96.57(10) . 7_575 ?
Ag03 Ag0S Ag03 161.54(11) 7_575 . ?
Ag03 Ag0S Ag0L 57.42(4) 7_575 7_575 ?
Ag03 Ag0S Ag0L 138.98(9) . 7_575 ?
Ag03 Ag0S Ag0L 138.98(9) 7_575 . ?
Ag03 Ag0S Ag0L 57.41(4) . . ?
Ag03 Ag0S Ag0O 63.66(5) 7_575 7_575 ?
Ag03 Ag0S Ag0O 127.51(9) 7_575 . ?
Ag03 Ag0S Ag0O 127.51(9) . 7_575 ?
Ag03 Ag0S Ag0O 63.66(5) . . ?
Ag0A Ag0S Ag03 91.23(6) . . ?
Ag0A Ag0S Ag03 91.23(6) . 7_575 ?
Ag0A Ag0S Ag0L 64.52(7) . 7_575 ?
Ag0A Ag0S Ag0L 64.52(7) . . ?
Ag0A Ag0S Ag0O 126.60(8) . 7_575 ?
Ag0A Ag0S Ag0O 126.60(8) . . ?
Ag0L Ag0S Ag0L 81.84(9) 7_575 . ?
Ag0O Ag0S Ag0L 62.25(6) . . ?
Ag0O Ag0S Ag0L 62.26(6) 7_575 7_575 ?
Ag0O Ag0S Ag0L 103.47(9) . 7_575 ?
Ag0O Ag0S Ag0L 103.47(9) 7_575 . ?
Ag0O Ag0S Ag0O 64.45(9) . 7_575 ?
Ag0C Br0T Ag01 58.92(6) 7_575 . ?
Ag0C Br0T Ag5 115.88(15) 7_575 . ?
Ag1 Br0T Ag01 58.87(14) . . ?
Ag5 Br0T Ag01 59.17(14) . . ?
Ag0I Ag0U Ag0N 56.69(6) . . ?
S01D Ag0U Ag0I 125.14(18) . . ?
S01D Ag0U Ag0N 100.71(15) . . ?
S01F Ag0U Ag0I 48.18(18) . . ?
S01F Ag0U Ag0N 88.04(17) . . ?
S01F Ag0U S01D 162.1(3) . . ?
Ag04 Ag0V Ag0D 83.32(6) . . ?
Ag04 Ag0V Ag0D 83.32(6) . 7_575 ?
Ag04 Ag0V Ag0J 93.07(10) . . ?
Ag04 Ag0V Ag0J 93.07(10) . 7_575 ?
Ag04 Ag0V Ag2 139.23(11) . . ?
Ag04 Ag0V Ag2 139.23(11) . 7_575 ?
Ag04 Ag0V Ag3 125.32(16) . 7_575 ?
Ag04 Ag0V Ag3 125.33(16) . . ?
Ag04 Ag0V Ag4 144.58(12) . . ?
Ag04 Ag0V Ag4 144.58(12) . 7_575 ?
Ag0D Ag0V Ag0D 165.12(12) . 7_575 ?
Ag0J Ag0V Ag0D 125.42(10) . 7_575 ?
Ag0J Ag0V Ag0D 61.91(5) . . ?
Ag0J Ag0V Ag0D 125.43(10) 7_575 . ?
Ag0J Ag0V Ag0D 61.91(5) 7_575 7_575 ?
Ag0J Ag0V Ag0J 63.97(10) 7_575 . ?
Ag0J Ag0V Ag4 58.32(11) . 7_575 ?
Ag0J Ag0V Ag4 91.99(14) . . ?
Ag0J Ag0V Ag4 91.98(14) 7_575 7_575 ?
Ag0J Ag0V Ag4 58.32(11) 7_575 . ?
Ag2 Ag0V Ag0D 137.35(13) . . ?
Ag2 Ag0V Ag0D 56.59(10) 7_575 . ?
Ag2 Ag0V Ag0J 103.78(14) . . ?
Ag2 Ag0V Ag0J 63.32(11) 7_575 . ?
Ag3 Ag0V Ag0D 101.38(13) 7_575 7_575 ?
Ag3 Ag0V Ag0D 81.18(12) . 7_575 ?
Ag3 Ag0V Ag0D 101.37(13) . . ?
Ag3 Ag0V Ag0D 81.17(12) 7_575 . ?
Ag3 Ag0V Ag0J 137.47(14) 7_575 7_575 ?
Ag3 Ag0V Ag0J 123.34(12) 7_575 . ?
Ag3 Ag0V Ag0J 123.34(12) . 7_575 ?
Ag3 Ag0V Ag0J 137.47(14) . . ?
Ag3 Ag0V Ag2 74.80(15) . 7_575 ?
Ag3 Ag0V Ag2 60.56(14) 7_575 7_575 ?
Ag3 Ag0V Ag3 20.4(2) . 7_575 ?
Ag3 Ag0V Ag4 79.16(15) . 7_575 ?
Ag3 Ag0V Ag4 67.98(14) . . ?
Ag3 Ag0V Ag4 79.16(15) 7_575 . ?
Ag3 Ag0V Ag4 67.98(14) 7_575 7_575 ?
Ag4 Ag0V Ag0D 129.21(14) 7_575 7_575 ?
Ag4 Ag0V Ag0D 65.44(11) 7_575 . ?
Ag4 Ag0V Ag0D 129.22(14) . . ?
Ag4 Ag0V Ag0D 65.44(11) . 7_575 ?
Ag4 Ag0V Ag4 63.8(2) 7_575 . ?
Ag0D Ag2 Ag0J 63.68(10) 7_575 7_575 ?
Ag0D Ag2 Ag0V 65.96(11) 7_575 . ?
Ag0V Ag2 Ag0J 59.31(11) . 7_575 ?
S01C Ag2 Ag0D 74.41(19) 7_575 7_575 ?
S01C Ag2 Ag0J 47.02(17) 7_575 7_575 ?
S01C Ag2 Ag0V 105.7(2) 7_575 . ?
S01C Ag2 S01D 110.4(3) 7_575 7_575 ?
S01D Ag2 Ag0D 47.62(16) 7_575 7_575 ?
S01D Ag2 Ag0J 111.0(2) 7_575 7_575 ?
S01D Ag2 Ag0V 85.15(19) 7_575 . ?
S01E Ag2 Ag0D 132.9(3) . 7_575 ?
S01E Ag2 Ag0J 118.7(3) . 7_575 ?
S01E Ag2 Ag0V 76.2(2) . . ?
S01E Ag2 S01C 145.4(3) . 7_575 ?
S01E Ag2 S01D 104.2(3) . 7_575 ?
Ag09 S00Y Ag09 99.0(2) . 7_575 ?
Ag0G S00Y Ag09 107.8(2) . 7_575 ?
Ag0G S00Y Ag09 107.8(2) . . ?
C01K S00Y Ag09 112.6(8) . 7_575 ?
C01K S00Y Ag09 112.6(8) . . ?
C01K S00Y Ag0G 115.7(13) . . ?
Ag08 S00Z Ag0B 84.54(19) . . ?
C01S S00Z Ag08 102.8(8) . . ?
C01S S00Z Ag0B 115.7(7) . . ?
Ag03 S010 Ag1 120.8(2) . . ?
Ag03 S010 Ag5 115.1(2) . . ?
Ag07 S010 Ag03 81.50(16) . . ?
Ag07 S010 Ag1 105.6(2) . . ?
Ag07 S010 Ag5 115.2(2) . . ?
C01L S010 Ag03 119.4(7) . . ?
C01L S010 Ag07 102.4(8) . . ?
C01L S010 Ag1 116.0(8) . . ?
C01L S010 Ag5 116.7(8) . . ?
Ag03 S011 Ag0L 73.05(15) . . ?
Ag0B S011 Ag03 91.88(15) . . ?
Ag0B S011 Ag0L 142.7(2) . . ?
C01R S011 Ag03 105.5(7) . . ?
C01R S011 Ag0B 106.6(7) . . ?
C01R S011 Ag0L 110.2(7) . . ?
Ag07 S012 Ag05 104.4(2) . . ?
Ag08 S012 Ag05 113.8(2) . . ?
Ag08 S012 Ag07 88.13(16) . . ?
C26 S012 Ag05 115.5(6) . . ?
C26 S012 Ag07 116.0(7) . . ?
C26 S012 Ag08 115.4(7) . . ?
Ag0A S013 Ag0L 84.51(18) . . ?
Ag0A S013 Ag0L 84.50(18) . 7_575 ?
Ag0L S013 Ag0L 117.4(3) 7_575 . ?
C01Y S013 Ag0A 105.7(11) . . ?
C01Y S013 Ag0L 121.15(16) . . ?
C01Y S013 Ag0L 121.15(16) . 7_575 ?
Ag09 S014 Ag05 117.75(19) . . ?
Ag09 S014 Ag0F 93.48(19) . . ?
Ag0F S014 Ag05 117.3(2) . . ?
C029 S014 Ag05 106.0(7) . . ?
C029 S014 Ag09 111.0(7) . . ?
C029 S014 Ag0F 111.2(7) . . ?
Ag0F S015 Ag0F 99.1(2) 7_575 . ?
Ag0M S015 Ag0F 107.5(2) . 7_575 ?
Ag0M S015 Ag0F 107.5(2) . . ?
C022 S015 Ag0F 110.9(6) . . ?
C022 S015 Ag0F 110.9(6) . 7_575 ?
C022 S015 Ag0M 119.1(10) . . ?
Ag0G S016 Ag0A 136.6(4) . . ?
Ag0E S017 Ag05 102.1(2) . . ?
Ag0I S017 Ag05 114.3(2) . . ?
Ag0I S017 Ag0E 91.02(18) . . ?
C036 S017 Ag05 115.1(7) . . ?
C036 S017 Ag0E 111.4(7) . . ?
C036 S017 Ag0I 118.7(7) . . ?
Ag0D S018 Ag0C 122.7(2) . 7_575 ?
Ag0D S018 Ag0E 78.45(18) . . ?
Ag0E S018 Ag0C 107.6(2) . 7_575 ?
C02G S018 Ag0C 116.6(10) . 7_575 ?
C02G S018 Ag0D 116.8(9) . . ?
C02G S018 Ag0E 103.7(11) . . ?
Ag0O S019 Ag0L 86.11(18) . . ?
C176 S019 Ag0L 107.8(11) . . ?
C176 S019 Ag0O 115.4(11) . . ?
Ag0C S01A Ag0C 60.39(17) 7_575 . ?
Ag0J S01A Ag0C 129.9(3) . . ?
Ag0J S01A Ag0C 129.9(3) 7_575 7_575 ?
Ag0J S01A Ag0C 87.10(15) . 7_575 ?
Ag0J S01A Ag0C 87.10(15) 7_575 . ?
Ag0J S01A Ag0J 86.9(3) 7_575 . ?
C02Z S01A Ag0C 121.9(9) . . ?
C02Z S01A Ag0C 121.9(9) . 7_575 ?
C02Z S01A Ag0J 107.3(8) . . ?
C02Z S01A Ag0J 107.3(8) . 7_575 ?
Ag0O S01B Ag0O 87.9(3) 7_575 . ?
Ag0O S01B Ag5 132.0(3) 7_575 . ?
Ag0O S01B Ag5 132.0(3) . 7_575 ?
Ag0O S01B Ag5 92.0(2) . . ?
Ag0O S01B Ag5 92.0(2) 7_575 7_575 ?
C1AA S01B Ag0O 110.4(11) . . ?
C1AA S01B Ag0O 110.4(11) . 7_575 ?
C1AA S01B Ag5 114.4(14) . . ?
C1AA S01B Ag5 114.4(14) . 7_575 ?
Ag5 S01B Ag5 54.4(3) . 7_575 ?
Ag0J S01C Ag2 84.5(2) . 7_575 ?
C03R S01C Ag0J 106.6(10) . . ?
C03R S01C Ag2 111.5(10) . 7_575 ?
C03R S01C Ag4 95.6(10) . 7_575 ?
Ag4 S01C Ag0J 84.2(3) 7_575 . ?
Ag4 S01C Ag2 16.63(15) 7_575 7_575 ?
Ag0D S01D Ag0U 98.0(2) . . ?
Ag0D S01D Ag2 72.07(19) . 7_575 ?
Ag0D S01D Ag3 103.9(2) . 7_575 ?
Ag0U S01D Ag2 146.7(3) . 7_575 ?
Ag0U S01D Ag3 87.3(2) . 7_575 ?
C9AA S01D Ag0D 110.4(7) . . ?
C9AA S01D Ag0U 109.8(7) . . ?
C9AA S01D Ag2 103.4(7) . 7_575 ?
C9AA S01D Ag3 138.5(7) . 7_575 ?
Ag3 S01E Ag2 77.5(2) 7_575 7_575 ?
Ag3 S01E Ag2 97.8(3) . 7_575 ?
Ag3 S01E Ag3 24.7(3) . 7_575 ?
Ag4 S01E Ag2 104.4(4) . 7_575 ?
Ag4 S01E Ag2 16.86(12) 7_575 7_575 ?
Ag4 S01E Ag3 112.4(3) . 7_575 ?
Ag4 S01E Ag3 93.8(3) . . ?
Ag4 S01E Ag3 112.4(3) 7_575 . ?
Ag4 S01E Ag3 93.8(3) 7_575 7_575 ?
Ag4 S01E Ag4 94.5(4) . 7_575 ?
C9 S01E Ag2 121.0(7) . . ?
C9 S01E Ag2 121.0(7) . 7_575 ?
C9 S01E Ag3 119(2) . . ?
C9 S01E Ag3 119(2) . 7_575 ?
C9 S01E Ag4 116.3(13) . . ?
C9 S01E Ag4 116.3(13) . 7_575 ?
Ag0I S01F Ag0U 81.4(2) . . ?
C02X S01F Ag0I 103.1(11) . . ?
C02X S01F Ag0U 111.8(12) . . ?
C01R C01J C01Q 108.5(17) . . ?
C02S C01K S00Y 111(3) . . ?
C02V C01K S00Y 109(2) . . ?
C02V C01K S00Y 109(2) 7_575 . ?
C02V C01K C02S 109(3) 7_575 . ?
C02V C01K C02S 109(3) . . ?
C02V C01K C02V 109(4) 7_575 . ?
C01M C01L S010 107.3(16) . . ?
C01P C01L S010 107.4(17) . . ?
C01P C01L C01M 108.2(19) . . ?
C01P C01L C033 114(2) . . ?
C033 C01L S010 110.0(15) . . ?
C033 C01L C01M 110(2) . . ?
C024 C01M C01L 110.0(19) . . ?
C027 C01N C01Y 107(3) . . ?
C021 C01O C4 106.3(17) . . ?
C C01O C021 108.7(16) . . ?
C C01O C4 108.1(18) . . ?
C01L C01P C01Z 108(2) . . ?
C01W C01Q C01J 109.3(17) . . ?
C01W C01Q C 110.0(18) . . ?
C C01Q C01J 107.8(15) . . ?
C01J C01R S011 107.7(14) . . ?
C01J C01R C023 112.7(16) . . ?
C01J C01R C4 108.1(17) . . ?
C023 C01R S011 107.8(14) . . ?
C4 C01R S011 111.4(12) . . ?
C4 C01R C023 109.1(17) . . ?
C020 C01S S00Z 113.4(17) . . ?
C020 C01S C3 110.5(19) . . ?
C3 C01S S00Z 106.7(16) . . ?
C6 C01S S00Z 106.5(16) . . ?
C6 C01S C020 113(2) . . ?
C6 C01S C3 107(2) . . ?
C01W C01U C023 105.9(16) . . ?
C021 C01U C01W 108.9(17) . . ?
C021 C01U C023 108.9(15) . . ?
C01Q C01W C01U 110.9(16) . . ?
C01N C01Y S013 106(2) . . ?
C026 C01Y S013 111.5(15) . . ?
C026 C01Y S013 111.5(15) 7_575 . ?
C026 C01Y C01N 108.1(17) 7_575 . ?
C026 C01Y C01N 108.1(17) . . ?
C026 C01Y C026 112(3) 7_575 . ?
C01P C01Z C02Y 109.4(18) . . ?
C02A C01Z C01P 112(2) . . ?
C02A C01Z C02Y 112(2) . . ?
C02B C020 C01S 109(2) . . ?
C01U C021 C01O 114.0(18) . . ?
C02C C022 S015 111(2) . . ?
C02C C022 C1 109.8(19) . . ?
C02C C022 C1 109.8(19) . 7_575 ?
C1 C022 S015 109.5(17) 7_575 . ?
C1 C022 S015 109.5(17) . . ?
C1 C022 C1 107(2) . 7_575 ?
C01R C023 C01U 108.5(17) . . ?
C01M C024 C02A 109(2) . . ?
C01M C024 C03A 109.7(18) . . ?
C02A C024 C03A 107(2) . . ?
C11 C026 C01Y 112(2) . . ?
C02W C027 C01N 111.1(17) 7_575 . ?
C02W C027 C01N 111.1(17) . . ?
C02W C027 C02W 105(3) . 7_575 ?
C030 C029 S014 109.2(11) . . ?
C030 C029 C04O 108.4(7) . . ?
C04O C029 S014 107.9(12) . . ?
C129 C029 S014 111.2(12) . . ?
C129 C029 C030 110.5(7) . . ?
C129 C029 C04O 109.6(6) . . ?
C01Z C02A C024 108.8(19) . . ?
C020 C02B C02F 112.2(19) . . ?
C020 C02B C03M 112(2) . . ?
C02F C02B C03M 106(2) . . ?
C022 C02C C02D 111(3) . . ?
C02C C02D C03E 108.4(19) . . ?
C02C C02D C03E 108.4(19) . 7_575 ?
C03E C02D C03E 108(2) 7_575 . ?
C036 C02E C27 109.6(4) . . ?
C02B C02F C6AA 106(2) . . ?
C02H C02G S018 109(2) . . ?
C02H C02G C02N 108(3) . . ?
C02N C02G S018 110(2) . . ?
C02Q C02G S018 108(2) . . ?
C02Q C02G C02H 110(2) . . ?
C02Q C02G C02N 113(3) . . ?
C03P C02H C02G 113(3) . . ?
C26 C02I C039 109.7(4) . . ?
C02G C02N C59 104(2) . . ?
C02G C02Q C03F 110(3) . . ?
C01K C02S C038 115(3) . . ?
C01K C02S C038 115(3) . 7_575 ?
C038 C02S C038 28(2) . 7_575 ?
C01K C02V C84 108(3) . . ?
C11 C02W C027 110(2) . . ?
C037 C02X S01F 112(2) . . ?
C037 C02X C03V 108(3) . . ?
C037 C02X C35 111(3) . . ?
C03V C02X S01F 108(2) . . ?
C35 C02X S01F 111(2) . . ?
C35 C02X C03V 106(3) . . ?
C03Y C02Y C01Z 106(2) . . ?
C101 C02Z S01A 116(2) . . ?
C109 C02Z S01A 106.0(11) 7_575 . ?
C109 C02Z S01A 106.0(11) . . ?
C109 C02Z C101 109.3(3) 7_575 . ?
C109 C02Z C101 109.3(3) . . ?
C109 C02Z C109 109.9(6) 7_575 . ?
C03W C030 C029 110.0(5) . . ?
C035 C032 C035 112(3) 7_575 . ?
C01L C033 C03Y 108.4(18) . . ?
C03X C034 S1 113.6(19) . . ?
C058 C034 C03X 110.5(7) . . ?
C058 C034 C03X 110.5(7) 7_575 . ?
C058 C034 C058 104(2) 7_575 . ?
C058 C034 S1 108.6(10) 7_575 . ?
C058 C034 S1 108.6(10) . . ?
C032 C035 C1 110(2) . . ?
C03E C035 C032 110(2) . . ?
C03E C035 C1 107.3(18) . . ?
C02E C036 S017 109.1(11) . . ?
C02E C036 C25 109.6(6) . . ?
C25 C036 S017 111.3(12) . . ?
C98 C036 S017 107.9(12) . . ?
C98 C036 C02E 108.4(7) . . ?
C98 C036 C25 110.5(6) . . ?
C68 C037 C02X 112(3) . . ?
C02S C038 C192 86.2(19) . . ?
C038 C038 C02S 76.2(11) 7_575 . ?
C038 C038 C192 126.7(19) 7_575 7_575 ?
C038 C038 C192 34.3(12) 7_575 . ?
C192 C038 C02S 109(3) 7_575 . ?
C192 C038 C192 92(3) 7_575 . ?
C79 C039 C02I 109.2(6) . . ?
C132 C039 C02I 109.7(6) . . ?
C132 C039 C79 109.6(6) . . ?
C03Y C03A C024 110(2) . . ?
C035 C03E C02D 109(2) . . ?
C53 C03F C02Q 109(2) . . ?
C53 C03F C0AA 106(3) . . ?
C0AA C03F C02Q 106(3) . . ?
C03M C03J C3 107(2) . . ?
C7AA C03J C03M 108(2) . . ?
C7AA C03J C3 110.4(19) . . ?
C03J C03M C02B 109.4(19) . . ?
C03P C03N C59 105(3) . . ?
C02H C03P C0AA 106(3) . . ?
C03N C03P C02H 108(2) . . ?
C03N C03P C0AA 111(3) . . ?
C045 C03R S01C 106.2(16) . . ?
C74 C03R S01C 113.2(16) . . ?
C74 C03R C045 109.3(6) . . ?
C4BA C03R S01C 108.8(17) . . ?
C4BA C03R C045 109.5(6) . . ?
C4BA C03R C74 109.7(6) . . ?
C059 C03V C02X 103(3) . . ?
C030 C03W C19 110.6(7) . . ?
C030 C03W C177 108.4(7) . . ?
C177 C03W C19 109.3(7) . . ?
C158 C03X C034 110.7(6) . . ?
C033 C03Y C02Y 108(2) . . ?
C03A C03Y C02Y 111.3(19) . . ?
C03A C03Y C033 110(2) . . ?
C27 C041 C65 109.9(5) . . ?
C03R C045 C28 109.1(4) . . ?
C90 C049 C158 111.5(8) . . ?
C175 C04O C029 109.0(5) . . ?
C68 C050 C059 108(3) . . ?
C71 C057 C65 109.5(4) . . ?
C034 C058 C90 110.7(8) . . ?
C03V C059 C050 104(3) . . ?
C152 C059 C03V 119(3) . . ?
C152 C059 C050 113(3) . . ?
C01O C C01Q 112.5(17) . . ?
C035 C1 C022 112(2) . . ?
C93 C35 C02X 111(3) . . ?
C037 C68 C116 108(3) . . ?
C050 C68 C037 117(3) . . ?
C050 C68 C116 101(3) . . ?
C35 C93 C116 106(3) . . ?
C152 C93 C35 112(3) . . ?
C152 C93 C116 107(3) . . ?
C059 C152 C93 110(3) . . ?
C03F C53 C59 109(3) . . ?
C03P C0AA C03F 115(3) . . ?
C02N C59 C03N 106(2) . . ?
C53 C59 C02N 114(3) . . ?
C53 C59 C03N 115(2) . . ?
C3BA C74 C03R 109.5(4) . . ?
C02I C26 S012 111.7(11) . . ?
C02I C26 C45 108.2(7) . . ?
C02I C26 C48 110.4(6) . . ?
C45 C26 S012 106.3(12) . . ?
C45 C26 C48 109.8(6) . . ?
C48 C26 S012 110.4(12) . . ?
C180 C3AA C175 110.4(5) . . ?
C180 C19 C03W 109.5(5) . . ?
C04O C175 C3AA 109.7(6) . . ?
C04O C175 C177 108.8(7) . . ?
C3AA C175 C177 108.8(7) . . ?
C84 C37 C84 116(5) . 7_575 ?
C37 C84 C02V 110(3) . . ?
C37 C84 C192 114(4) . 7_575 ?
C192 C84 C02V 105(3) 7_575 . ?
C038 C192 C038 19.0(17) 7_575 . ?
C038 C192 C84 126(3) 7_575 7_575 ?
C84 C192 C038 112(3) 7_575 . ?
S01D Ag3 Ag0V 88.11(17) 7_575 . ?
S01E Ag3 Ag0V 79.9(2) . . ?
S01E Ag3 S01D 104.5(2) . 7_575 ?
Ag3 Ag3 Ag0V 79.82(11) 7_575 . ?
Ag3 Ag3 S01D 167.22(15) 7_575 7_575 ?
Ag3 Ag3 S01E 77.64(14) 7_575 . ?
Ag3 Ag3 S1 77.22(15) 7_575 . ?
S1 Ag3 Ag0V 103.9(3) . . ?
S1 Ag3 S01D 101.9(2) . 7_575 ?
S1 Ag3 S01E 153.4(3) . . ?
Ag0J Ag4 Ag0V 58.22(12) 7_575 . ?
S01C Ag4 Ag0J 49.37(18) 7_575 7_575 ?
S01C Ag4 Ag0V 103.0(2) 7_575 . ?
S01C Ag4 S01E 174.4(4) 7_575 . ?
S01E Ag4 Ag0J 125.1(3) . 7_575 ?
S01E Ag4 Ag0V 72.2(2) . . ?
C01S C3 C03J 111(2) . . ?
C01R C4 C01O 112.0(15) . . ?
C01S C6 C6AA 107.5(19) . . ?
C026 C11 C02W 113(2) . . ?
C026 C11 C138 108(2) . . ?
C02W C11 C138 105(2) . . ?
C02F C6AA C7AA 111.4(19) . . ?
C6 C6AA C02F 113(2) . . ?
C6 C6AA C7AA 112(2) . . ?
C03J C7AA C6AA 105(2) . . ?
C65 C25 C036 109.5(4) . . ?
C041 C27 C02E 109.8(6) . . ?
C041 C27 C62 108.9(7) . . ?
C62 C27 C02E 109.4(6) . . ?
C27 C62 C71 109.3(4) . . ?
C041 C65 C057 109.4(6) . . ?
C25 C65 C041 109.2(7) . . ?
C25 C65 C057 109.8(6) . . ?
C057 C71 C62 109.3(6) . . ?
C057 C71 C98 110.1(6) . . ?
C98 C71 C62 108.6(6) . . ?
C036 C98 C71 109.8(4) . . ?
C68 C116 C93 114(3) . . ?
C3AA C180 C19 108.8(7) . . ?
C3AA C180 C129 110.2(7) . . ?
C19 C180 C129 109.6(7) . . ?
C029 C129 C180 109.1(5) . . ?
C03W C177 C175 109.6(5) . . ?
C9AA C7 C72 109.3(4) . . ?
C1BA C13 C9AA 109.7(4) . . ?
C29 C4AA C63 110.6(8) . . ?
C5AA C4AA C29 108.3(7) . . ?
C5AA C4AA C63 110.0(6) . . ?
C4AA C29 C9AA 109.1(5) . . ?
C4AA C5AA C1BA 109.7(4) . . ?
C7 C9AA S01D 109.7(11) . . ?
C7 C9AA C29 110.0(6) . . ?
C13 C9AA S01D 108.9(11) . . ?
C13 C9AA C7 109.1(6) . . ?
C13 C9AA C29 109.2(6) . . ?
C29 C9AA S01D 109.9(11) . . ?
C72 C63 C4AA 109.6(4) . . ?
C63 C72 C7 108.6(6) . . ?
C63 C72 C0BA 110.0(6) . . ?
C0BA C72 C7 109.1(6) . . ?
C1BA C0BA C72 109.9(4) . . ?
C13 C1BA C5AA 109.6(6) . . ?
C0BA C1BA C13 108.1(7) . . ?
C0BA C1BA C5AA 110.5(6) . . ?
C2AA C75 C2AA 109.6(4) 7_575 . ?
C281 C38 C101 109.3(3) . . ?
C281 C38 C101 109.3(3) 7_575 . ?
C281 C38 C281 110.1(5) 7_575 . ?
C38 C101 C02Z 109.3(4) . . ?
C2BA C28 C045 109.0(6) . . ?
C151 C28 C045 109.4(6) . . ?
C151 C28 C2BA 110.0(6) . . ?
C3BA C2BA C28 109.6(4) . . ?
C74 C3BA C89 110.1(6) . . ?
C2BA C3BA C74 108.4(7) . . ?
C2BA C3BA C89 110.1(6) . . ?
C3BA C89 C134 109.2(4) . . ?
C89 C134 C151 109.7(6) . . ?
C89 C134 C4BA 109.4(6) . . ?
C151 C134 C4BA 109.8(6) . . ?
C28 C151 C134 109.2(4) . . ?
C134 C4BA C03R 109.2(4) . . ?
C03X C158 C049 110.8(7) . 7_575 ?
C03X C158 C049 110.8(7) . . ?
C049 C158 C049 102(2) . 7_575 ?
C11 C138 C11 112(3) . 7_575 ?
C049 C90 C058 110.7(8) . . ?
C88 C90 C049 105(3) . . ?
C88 C90 C058 106(3) . . ?
C2AA C281 C38 109.4(3) 7_575 . ?
C75 C2AA C109 109.2(5) . 7_575 ?
C281 C2AA C75 110.1(4) 7_575 . ?
C281 C2AA C109 109.2(4) 7_575 7_575 ?
C02Z C109 C2AA 109.2(3) . 7_575 ?
C32 C30 C117 109.9(4) . . ?
C30 C32 C48 108.3(7) . . ?
C30 C32 C132 110.5(6) . . ?
C48 C32 C132 109.6(6) . . ?
C26 C45 C117 109.5(4) . . ?
C32 C48 C26 109.6(4) . . ?
C039 C79 C117 109.2(4) . . ?
C30 C117 C45 109.2(6) . . ?
C30 C117 C79 109.8(6) . . ?
C79 C117 C45 109.0(6) . . ?
C039 C132 C32 109.2(4) . . ?
C176 C40 C236 109.3(4) . . ?
C40 C176 S019 103.0(19) . . ?
C40 C176 C251 109.3(6) . . ?
C227 C176 S019 112(2) . . ?
C227 C176 C40 109.4(6) . . ?
C227 C176 C251 109.3(6) . . ?
C251 C176 S019 114(2) . . ?
C227 C114 C209 109.2(6) . . ?
C131 C114 C209 109.4(6) . . ?
C131 C114 C227 109.5(6) . . ?
C229 C208 C236 109.9(5) . . ?
C229 C209 C114 109.9(5) . . ?
C176 C227 C114 109.2(4) . . ?
C236 C131 C114 109.3(4) . . ?
C209 C229 C208 109.6(7) . . ?
C209 C229 C251 109.5(7) . . ?
C251 C229 C208 109.3(7) . . ?
C208 C236 C40 109.3(6) . . ?
C131 C236 C40 109.3(6) . . ?
C131 C236 C208 109.6(6) . . ?
C229 C251 C176 109.9(5) . . ?
Ag0M S1 Ag3 133.8(4) . 7_575 ?
Ag0M S1 Ag3 133.8(4) . . ?
C034 S1 Ag0M 110.7(11) . . ?
C034 S1 Ag3 113.4(11) . 7_575 ?
C034 S1 Ag3 113.4(11) . . ?
Ag3 S1 Ag3 25.5(3) 7_575 . ?
C90 C88 C90 121(4) 7_575 . ?
C156 C1AA S01B 108(3) . . ?
C156 C1AA S01B 108(3) 7_575 . ?
C156 C1AA C156 50(3) . 7_575 ?
C39 C17 C17 115(3) . 7_575 ?
C6BA C17 C17 35(3) . 7_575 ?
C6BA C17 C39 120(5) . . ?
C17 C39 C99 118(4) . . ?
C39 C99 C99 125(2) . 7_575 ?
C39 C99 C156 96(3) . . ?
C99 C99 C156 87.5(18) 7_575 . ?
C17 C6BA C17 109(6) 7_575 . ?
C1AA C156 C99 104(3) . . ?
C156 C156 C1AA 64.9(15) 7_575 . ?
C156 C156 C99 92.5(18) 7_575 . ?
C43 C9 S01E 100(3) . . ?
C43 C9 S01E 100(3) 7_575 . ?
C43 C9 C43 102(5) 7_575 . ?
Ag01 Ag5 Ag6 59.90(19) . . ?
Ag02 Ag5 Ag01 87.5(2) . . ?
Ag02 Ag5 Br0T 146.9(2) . . ?
Ag02 Ag5 Ag6 55.8(2) . . ?
Br0T Ag5 Ag01 61.78(15) . . ?
Br0T Ag5 Ag6 95.5(2) . . ?
S010 Ag5 Ag01 132.9(2) . . ?
S010 Ag5 Ag02 86.3(2) . . ?
S010 Ag5 Br0T 105.2(2) . . ?
S010 Ag5 Ag6 78.4(2) . . ?
S01B Ag5 Ag01 123.7(2) . . ?
S01B Ag5 Ag02 87.2(2) . . ?
S01B Ag5 Br0T 119.1(3) . . ?
S01B Ag5 S010 102.6(3) . . ?
S01B Ag5 Ag6 143.0(4) . . ?
Ag5 Ag5 Ag01 64.55(11) 7_575 . ?
Ag5 Ag5 Ag02 64.29(12) 7_575 . ?
Ag5 Ag5 Br0T 108.04(13) 7_575 . ?
Ag5 Ag5 S010 146.71(17) 7_575 . ?
Ag5 Ag5 S01B 62.82(16) 7_575 . ?
Ag5 Ag5 Ag6 95.8(2) 7_575 . ?
Ag01 Ag6 Ag06 58.71(15) . . ?
Ag01 Ag6 Ag07 139.4(2) . . ?
Ag01 Ag6 Ag0P 89.20(17) . . ?
Ag01 Ag6 Ag5 60.0(2) . . ?
Ag01 Ag6 Ag6 57.88(15) . 7_575 ?
Ag02 Ag6 Ag01 90.9(2) . . ?
Ag02 Ag6 Ag06 142.0(3) . . ?
Ag02 Ag6 Ag07 99.2(2) . . ?
Ag02 Ag6 Ag0K 66.74(19) . . ?
Ag02 Ag6 Ag0P 105.1(2) . . ?
Ag02 Ag6 Ag5 61.5(2) . . ?
Ag02 Ag6 Ag6 55.25(14) . 7_575 ?
Ag06 Ag6 Ag07 118.6(3) . . ?
Ag06 Ag6 Ag0P 56.82(11) . . ?
Ag07 Ag6 Ag0P 124.9(3) . . ?
Ag0K Ag6 Ag01 155.3(3) . . ?
Ag0K Ag6 Ag06 135.1(3) . . ?
Ag0K Ag6 Ag07 58.98(15) . . ?
Ag0K Ag6 Ag0P 86.8(2) . . ?
Ag0K Ag6 Ag5 113.2(3) . . ?
Ag0K Ag6 Ag6 98.95(16) . 7_575 ?
Br0Q Ag6 Ag01 95.9(3) . . ?
Br0Q Ag6 Ag02 159.4(2) . . ?
Br0Q Ag6 Ag06 55.80(15) . . ?
Br0Q Ag6 Ag07 63.41(16) . . ?
Br0Q Ag6 Ag0K 108.7(3) . . ?
Br0Q Ag6 Ag0P 94.5(2) . . ?
Br0Q Ag6 Ag5 105.5(3) . . ?
Br0Q Ag6 Ag6 143.33(15) . 7_575 ?
Ag5 Ag6 Ag06 111.7(3) . . ?
Ag5 Ag6 Ag07 90.7(2) . . ?
Ag5 Ag6 Ag0P 144.3(3) . . ?
Ag5 Ag6 Ag6 84.2(2) . 7_575 ?
Ag6 Ag6 Ag06 87.62(14) 7_575 . ?
Ag6 Ag6 Ag07 153.09(14) 7_575 . ?
Ag6 Ag6 Ag0P 62.96(14) 7_575 . ?

loop_
_platon_missing_refln_index_h
_platon_missing_refln_index_k
_platon_missing_refln_index_l
_platon_missing_refln_theta
2 0 0 1.869
4 0 0 3.741
6 0 0 5.616
2 1 0 2.622
4 1 0 4.169
8 1 0 7.722
10 1 0 9.569
0 2 0 3.678
2 2 0 4.127
4 2 0 5.250
6 2 0 6.720
8 2 0 8.361
2 3 0 5.832
4 3 0 6.676
6 3 0 7.889
8 3 0 9.330
10 3 0 10.916
2 4 0 7.607
4 4 0 8.276
6 4 0 9.286
8 4 0 10.544
12 4 0 13.535
22 4 0 22.401
2 5 0 9.419
4 5 0 9.970
6 5 0 10.829
8 5 0 11.932
10 5 0 13.223
12 5 0 14.658
14 5 0 16.203
0 6 0 11.096
2 6 0 11.256
4 6 0 11.725
6 6 0 12.469
0 8 0 14.869
1 0 1 1.558
2 0 1 2.247
3 0 1 3.070
4 0 1 3.943
5 0 1 4.842
11 0 1 10.412
0 1 1 2.221
1 1 1 2.410
2 1 1 2.904
3 1 1 3.579
4 1 1 4.352
5 1 1 5.180
8 1 1 7.823
9 1 1 8.733
10 1 1 9.651
1 2 1 3.995
2 2 1 4.312
3 2 1 4.793
4 2 1 5.397
5 2 1 6.086
6 2 1 6.836
7 2 1 7.629
8 2 1 8.454
9 2 1 9.304
0 3 1 5.662
2 3 1 5.964
3 3 1 6.322
4 3 1 6.793
5 3 1 7.354
6 3 1 7.988
7 3 1 8.679
8 3 1 9.415
9 3 1 10.187
1 4 1 7.536
3 4 1 7.992
4 4 1 8.370
5 4 1 8.834
6 4 1 9.371
7 4 1 9.969
8 4 1 10.619
1 5 1 9.362
2 5 1 9.503
5 5 1 10.442
6 5 1 10.902
7 5 1 11.424
1 6 1 11.208
2 6 1 11.327
3 6 1 11.523
5 6 1 12.131
6 6 1 12.533
7 6 1 12.993
0 7 1 13.037
3 7 1 13.346
0 9 1 16.828
0 0 2 2.493
1 0 2 2.663
2 0 2 3.117
3 0 2 3.754
2 1 2 3.619
3 1 2 4.181
4 1 2 4.860
8 1 2 8.119
9 1 2 9.000
10 1 2 9.894
2 2 2 4.824
3 2 2 5.259
4 2 2 5.815
5 2 2 6.460
6 2 2 7.171
7 2 2 7.932
8 2 2 8.729
2 3 2 6.346
3 3 2 6.684
4 3 2 7.130
5 3 2 7.668
6 3 2 8.278
7 3 2 8.947
8 3 2 9.664
9 3 2 10.418
0 4 2 7.786
3 4 2 8.282
4 4 2 8.648
5 4 2 9.098
6 4 2 9.621
7 4 2 10.205
1 5 2 9.612
2 5 2 9.750
3 5 2 9.975
4 5 2 10.284
5 5 2 10.667
0 6 2 11.380
3 0 3 4.678
4 0 3 5.294
5 0 3 5.995
6 0 3 6.755
0 1 3 4.169
3 1 3 5.028
7 1 3 7.779
8 1 3 8.591
9 1 3 9.428
4 2 3 6.452
5 2 3 7.040
6 2 3 7.699
7 2 3 8.413
8 2 3 9.170
3 3 3 7.247
4 3 3 7.661
5 3 3 8.164
6 3 3 8.741
7 3 3 9.378
8 3 3 10.065
3 4 3 8.745
4 4 3 9.093
5 4 3 9.523
6 4 3 10.024
0 5 3 9.971
1 5 3 10.015
4 0 4 6.243
5 0 4 6.848
6 1 4 7.748
7 1 4 8.458
8 1 4 9.211
9 1 4 9.999
15 1 4 15.167
0 2 4 6.205
5 2 4 7.782
6 2 4 8.384
7 2 4 9.046
1 3 4 7.513
4 3 4 8.349
5 3 4 8.814
6 3 4 9.352
7 3 4 9.951
4 4 4 9.682
5 4 4 10.088
0 1 5 6.510
5 1 5 8.028
6 1 5 8.614
7 1 5 9.259
8 1 5 9.954
5 2 5 8.645
6 2 5 9.192
5 3 5 9.587
0 11 5 21.667
0 0 6 7.498
3 1 6 8.222
7 1 6 10.156
8 1 6 10.796
0 2 6 8.361
3 2 6 8.825
3 3 6 9.751
1 0 7 8.807
0 1 7 8.951
3 2 7 9.922
3 3 7 10.756
0 0 8 10.020
1 0 8 10.064
10 0 8 13.797
11 0 8 14.473
12 0 8 15.182
1 2 8 10.729
12 0 9 16.070
13 0 9 16.773
14 0 9 17.503
15 0 9 18.260
16 0 9 19.039
17 0 9 19.841
16 0 10 19.860
17 0 10 20.634
18 0 10 21.430
19 0 10 22.247
8 4 12 18.587
8 5 14 21.595
9 5 14 21.971

_platon_squeeze_details          
;
TITL 3_a.res in Pnma
CELL   47.2631   24.0336   35.4451     90.00     90.00     90.00
SPGR Pnma
# Solvent Accessible Volume =     13844
# Electrons Found in S.A.V. =      3901
# Note: Atoms in Void are Labelled as Cxxx and Qxxx for all Others
C101 0.925 0.748 0.922 !      10.50 eA-3
Q102 0.985 0.754 0.070 !       8.47 eA-3
Q103 0.383 0.179 0.502 !       6.89 eA-3
C104 0.449 0.723 0.476 !       6.25 eA-3
C105 0.931 0.718 0.088 !       6.12 eA-3
C106 0.559 0.186 0.554 !       5.57 eA-3
Q107 0.977 0.803 0.073 !       4.82 eA-3
Q108 0.881 0.211 0.813 !       4.81 eA-3
Q109 0.985 0.777 0.041 !       4.55 eA-3
Q110 0.335 0.302 0.966 !       4.51 eA-3
Q111 0.966 0.783 0.099 !       4.50 eA-3
C112 0.304 0.753 0.945 !       4.32 eA-3
Q113 0.828 0.220 0.795 !       4.19 eA-3
Q114 0.674 0.806 0.202 !       4.11 eA-3
Q115 0.641 0.705 0.225 !       4.07 eA-3
C116 0.251 0.754 0.812 !       3.75 eA-3
Q117 0.114 0.747 0.133 !       3.53 eA-3
Q118 0.055 0.749 0.070 !       3.48 eA-3
Q119 0.125 0.796 0.244 !       3.46 eA-3
Q120 0.023 0.744 0.141 !       3.39 eA-3
C121 0.620 0.060 0.751 !       3.35 eA-3
C122 0.215 0.253 0.281 !       3.33 eA-3
Q123 0.073 0.561 0.189 !       3.26 eA-3
Q124 0.735 0.695 0.405 !       3.25 eA-3
Q125 0.796 0.248 0.563 !       3.24 eA-3
Q126 0.410 0.033 0.806 !       3.24 eA-3
Q127 0.325 0.253 0.758 !       3.23 eA-3
Q128 0.089 0.748 0.148 !       3.18 eA-3
Q129 0.654 0.915 0.188 !       3.17 eA-3
C130 0.873 0.811 0.927 !       3.17 eA-3
C131 0.406 0.725 0.570 !       3.16 eA-3
Q132 0.616 0.817 0.204 !       3.14 eA-3
Q133 0.991 0.441 0.803 !       3.12 eA-3
Q134 0.723 0.896 0.093 !       3.10 eA-3
Q135 0.168 0.674 0.040 !       3.09 eA-3
Q136 0.103 0.876 0.119 !       3.09 eA-3
Q137 0.860 0.296 0.680 !       3.07 eA-3
Q138 0.621 0.753 0.297 !       3.06 eA-3
Q139 0.625 0.930 0.163 !       3.04 eA-3
C140 0.674 0.250 0.273 !       3.01 eA-3
Q141 0.966 0.366 0.916 !       3.00 eA-3
C142 0.109 0.251 0.500 !       2.98 eA-3
Q143 0.146 0.755 0.148 !       2.98 eA-3
Q144 0.416 0.252 0.539 !       2.96 eA-3
Q145 0.216 0.250 0.789 !       2.95 eA-3
Q146 0.324 0.257 0.867 !       2.95 eA-3
Q147 0.536 0.839 0.264 !       2.94 eA-3
Q148 0.270 0.214 0.108 !       2.94 eA-3
Q149 0.181 0.750 0.453 !       2.91 eA-3
Q150 0.540 0.830 0.217 !       2.91 eA-3
C151 0.176 0.249 0.469 !       2.88 eA-3
Q152 0.536 0.364 0.273 !       2.88 eA-3
Q153 0.861 0.432 0.823 !       2.88 eA-3
Q154 0.520 0.753 0.312 !       2.84 eA-3
Q155 0.706 0.691 0.188 !       2.84 eA-3
Q156 0.591 0.089 0.280 !       2.81 eA-3
Q157 0.085 0.752 0.313 !       2.81 eA-3
Q158 0.053 0.747 0.164 !       2.80 eA-3
C159 0.796 0.580 0.334 !       2.79 eA-3
Q160 0.498 0.366 0.619 !       2.78 eA-3
Q161 0.162 0.868 0.463 !       2.78 eA-3
Q162 0.586 0.784 0.250 !       2.75 eA-3
Q163 0.609 0.608 0.248 !       2.75 eA-3
Q164 0.274 0.247 0.125 !       2.74 eA-3
Q165 0.800 0.074 0.633 !       2.74 eA-3
Q166 0.774 0.249 0.906 !       2.73 eA-3
Q167 0.816 0.190 0.484 !       2.72 eA-3
Q168 0.067 0.812 0.377 !       2.71 eA-3
Q169 0.299 0.252 0.742 !       2.68 eA-3
Q170 0.363 0.094 0.782 !       2.68 eA-3
C171 0.707 0.254 0.250 !       2.67 eA-3
Q172 0.509 0.818 0.250 !       2.67 eA-3
Q173 0.619 0.751 0.312 !       2.66 eA-3
Q174 0.313 0.422 0.835 !       2.66 eA-3
C175 0.345 0.748 0.984 !       2.65 eA-3
Q176 0.532 0.870 0.368 !       2.65 eA-3
Q177 0.778 0.729 0.241 !       2.65 eA-3
Q178 0.784 0.782 0.907 !       2.65 eA-3
Q179 0.409 0.457 0.760 !       2.65 eA-3
Q180 0.098 0.836 0.367 !       2.64 eA-3
Q181 0.265 0.817 0.602 !       2.64 eA-3
Q182 0.926 0.139 0.842 !       2.62 eA-3
Q183 0.845 0.331 0.625 !       2.62 eA-3
C184 0.364 0.726 0.017 !       2.60 eA-3
Q185 0.060 0.749 0.281 !       2.60 eA-3
C186 0.437 0.751 0.461 !       2.59 eA-3
Q187 0.095 0.680 0.205 !       2.58 eA-3
Q188 0.250 0.203 0.107 !       2.58 eA-3
C189 0.139 0.477 0.758 !       2.58 eA-3
Q190 0.674 0.746 0.289 !       2.58 eA-3
C191 0.775 0.225 0.187 !       2.57 eA-3
Q192 0.449 0.246 0.523 !       2.56 eA-3
Q193 0.182 0.334 0.916 !       2.56 eA-3
Q194 0.095 0.942 0.412 !       2.54 eA-3
Q195 0.368 0.405 0.937 !       2.53 eA-3
C196 0.395 0.043 0.141 !       2.52 eA-3
Q197 0.546 0.839 0.312 !       2.52 eA-3
Q198 0.833 0.348 0.798 !       2.51 eA-3
Q199 0.958 0.919 0.775 !       2.51 eA-3
;
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.172 0.114 -0.239 13706 3975 ' '
2 0.227 0.598 0.040 13 -1 ' '
3 0.227 0.902 0.040 12 -1 ' '
4 0.727 0.598 0.460 13 -1 ' '
5 0.727 0.902 0.460 12 -1 ' '
6 0.273 0.098 0.540 13 -1 ' '
7 0.273 0.402 0.540 12 -1 ' '
8 0.773 0.098 0.960 13 -1 ' '
9 0.773 0.402 0.960 12 -1 ' '

_platon_squeeze_void_probe_radius 1.20

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_1_sq_sq
_database_code_depnum_ccdc_archive 'CCDC 2301183'
loop_
_audit_author_name
_audit_author_address
'haoqi li' 'Anhui University'
_audit_update_record             
;
2023-10-13 deposited with the CCDC.	2023-12-08 downloaded from the CCDC.
;
_audit_creation_date             2023-09-15
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C300 H446 Ag58 Br4 N2 O6 S30'
_chemical_formula_sum            'C300 H446 Ag58 Br4 N2 O6 S30'
_chemical_formula_weight         11714.46
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.6763 1.2805 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'
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'

_cell_length_a                   38.5120(6)
_cell_length_b                   21.9660(4)
_cell_length_c                   49.9423(9)
_cell_angle_alpha                90
_cell_angle_beta                 107.3320(10)
_cell_angle_gamma                90
_cell_volume                     40330.6(12)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    47110
_cell_measurement_temperature    120
_cell_measurement_theta_max      69.76
_cell_measurement_theta_min      5.81
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    24.213
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.929
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             22616
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0639
_diffrn_reflns_av_unetI/netI     0.0921
_diffrn_reflns_Laue_measured_fraction_full 0.967
_diffrn_reflns_Laue_measured_fraction_max 0.967
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -44
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       56
_diffrn_reflns_limit_l_min       -57
_diffrn_reflns_number            89651
_diffrn_reflns_point_group_measured_fraction_full 0.967
_diffrn_reflns_point_group_measured_fraction_max 0.967
_diffrn_reflns_theta_full        62.500
_diffrn_reflns_theta_max         62.500
_diffrn_reflns_theta_min         6.076
_diffrn_ambient_temperature      120
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.967
_diffrn_measured_fraction_theta_max 0.967
_diffrn_measurement_device_type  'STOE STADIVARI'
_diffrn_measurement_method       ?
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54186
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                19237
_reflns_number_total             31112
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         3.114
_refine_diff_density_min         -5.137
_refine_diff_density_rms         0.310
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.986
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1882
_refine_ls_number_reflns         31112
_refine_ls_number_restraints     2665
_refine_ls_R_factor_all          0.1261
_refine_ls_R_factor_gt           0.0924
_refine_ls_restrained_S_all      0.956
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1955P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2564
_refine_ls_wR_factor_ref         0.2868
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2. Restrained distances
 S017_$1-C123_$1
 1.83 with sigma of 0.01
 C123_$1-C026_$1
 1.54 with sigma of 0.01
 C02Q_$1-C123_$1
 1.54 with sigma of 0.01
 C123_$1-C027_$1
 1.54 with sigma of 0.01
 C56-C29 = C29-C02I = C7-C02I = C28-C02I = C28-C05A = C05O-C05A = C060-C05V =
 C7-C05V = C56-C060 = C56-C05I = C05I-C05A = C05V-C05O
 1.54 with sigma of 0.01
 C02I-C56
 2.54 with sigma of 0.01
 C02I-C05A
 2.54 with sigma of 0.01
 C02I-C05V
 2.54 with sigma of 0.01
 C28-C05I
 2.54 with sigma of 0.01
 C28-C05O
 2.54 with sigma of 0.01
 C28-C7
 2.54 with sigma of 0.01
 C28-C29
 2.54 with sigma of 0.01
 C05A-C56
 2.54 with sigma of 0.01
 C05A-C05V
 2.54 with sigma of 0.01
 C05I-C060
 2.54 with sigma of 0.01
 C05I-C05O
 2.54 with sigma of 0.01
 C05I-C29
 2.54 with sigma of 0.01
 C56-C05V
 2.54 with sigma of 0.01
 C060-C05O
 2.54 with sigma of 0.01
 C060-C7
 2.54 with sigma of 0.01
 C060-C29
 2.54 with sigma of 0.01
 C7-C29
 2.54 with sigma of 0.01
 C02I-C05O
 2.93 with sigma of 0.01
 C02I-C05I
 2.93 with sigma of 0.01
 C02I-C060
 2.93 with sigma of 0.01
 C28-C56
 2.93 with sigma of 0.01
 C28-C05V
 2.93 with sigma of 0.01
 C05A-C29
 2.93 with sigma of 0.01
 C05A-C7
 2.93 with sigma of 0.01
 C05A-C060
 2.93 with sigma of 0.01
 C05I-C05V
 2.93 with sigma of 0.01
 C56-C05O
 2.93 with sigma of 0.01
 C56-C7
 2.93 with sigma of 0.01
 C05V-C29
 2.93 with sigma of 0.01
 C05E-C04V = C05M-C05E = C05M-C02Y = C05P-C02Y = C05P-C05H = C061-C02Y = C05T-
 C05H = C05N-C05H = C21-C05N = C21-C061 = C21-C04V = C05T-C05E
 1.54 with sigma of 0.01
 C02Y-C05H
 2.54 with sigma of 0.01
 C02Y-C05E
 2.54 with sigma of 0.01
 C05P-C05T
 2.54 with sigma of 0.01
 C05P-C061
 2.54 with sigma of 0.01
 C05P-C05M
 2.54 with sigma of 0.01
 C05P-C05N
 2.54 with sigma of 0.01
 C05H-C05E
 2.54 with sigma of 0.01
 C05H-C21
 2.54 with sigma of 0.01
 C05N-C05T
 2.54 with sigma of 0.01
 C05N-C061
 2.54 with sigma of 0.01
 C05N-C04V
 2.54 with sigma of 0.01
 C21-C05E
 2.54 with sigma of 0.01
 C04V-C05T
 2.54 with sigma of 0.01
 C04V-C061
 2.54 with sigma of 0.01
 C05M-C061
 2.54 with sigma of 0.01
 C05M-C05T
 2.54 with sigma of 0.01
 C02Y-C05T
 2.93 with sigma of 0.01
 C02Y-C05N
 2.93 with sigma of 0.01
 C02Y-C04V
 2.93 with sigma of 0.01
 C05P-C05E
 2.93 with sigma of 0.01
 C05P-C21
 2.93 with sigma of 0.01
 C05H-C061
 2.93 with sigma of 0.01
 C05N-C05E
 2.93 with sigma of 0.01
 C21-C05T
 2.93 with sigma of 0.01
 C21-C05M
 2.93 with sigma of 0.01
 C05E-C061
 2.93 with sigma of 0.01
 C04K-C03X = C03Z-C02N = C04K-C02N = C04A-C02N = C058-C04A = C058-C04P = C04P-
 C03X = C05C-C03X = C05G-C03Z = C05G-C05C = C05S-C05G = C05S-C058
 1.54 with sigma of 0.01
 C33-C02I = C33-C128 = C83-C02I = C35-C02I = C35-C30 = C44-C30 = C44-C128 =
 C83-C78 = C78-C39 = C39-C30 = C89-C78 = C89-C128
 1.54 with sigma of 0.01
 C02I-C30
 2.54 with sigma of 0.01
 C02I-C128
 2.54 with sigma of 0.01
 C02I-C78
 2.54 with sigma of 0.01
 C35-C44
 2.54 with sigma of 0.01
 C35-C83
 2.54 with sigma of 0.01
 C35-C33
 2.54 with sigma of 0.01
 C30-C128
 2.54 with sigma of 0.01
 C30-C78
 2.54 with sigma of 0.01
 C39-C83
 2.54 with sigma of 0.01
 C39-C89
 2.54 with sigma of 0.01
 C39-C44
 2.54 with sigma of 0.01
 C78-C128
 2.54 with sigma of 0.01
 C89-C33
 2.54 with sigma of 0.01
 C89-C44
 2.54 with sigma of 0.01
 C33-C83
 2.54 with sigma of 0.01
 C33-C44
 2.54 with sigma of 0.01
 C02I-C39
 2.93 with sigma of 0.01
 C02I-C89
 2.93 with sigma of 0.01
 C02I-C44
 2.93 with sigma of 0.01
 C35-C78
 2.93 with sigma of 0.01
 C35-C128
 2.93 with sigma of 0.01
 C30-C83
 2.93 with sigma of 0.01
 C39-C128
 2.93 with sigma of 0.01
 C78-C44
 2.93 with sigma of 0.01
 C78-C33
 2.93 with sigma of 0.01
 C128-C83
 2.93 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
C01M \\sim C01M \\sim C01N \\sim C01N \\sim C01O \\sim C01O \\sim C01P \\sim
C01P \\sim C01Q \\sim C01Q \\sim C01S \\sim C01S \\sim C01T \\sim C01U \\sim
C01U \\sim C01V \\sim C01X \\sim C01X \\sim C01Y \\sim C01Y \\sim C01Z \\sim
C01Z \\sim C021 \\sim C021 \\sim C022 \\sim C022 \\sim C023 \\sim C023 \\sim
C024 \\sim C024 \\sim C026 \\sim C026 \\sim C027 \\sim C027 \\sim C028 \\sim
C028 \\sim C029 \\sim C029 \\sim C02A \\sim C02A \\sim C02B \\sim C02B \\sim
C02C \\sim C02C \\sim C02D \\sim C02D \\sim C02E \\sim C02E \\sim C02F \\sim
C02G \\sim C02G \\sim C02H \\sim C02H \\sim C02I \\sim C02I \\sim C02J \\sim
C02J \\sim C02K \\sim C02K \\sim C02L \\sim C02L \\sim C02M \\sim C02M \\sim
C02N \\sim C02N \\sim C02O \\sim C02O \\sim C02P \\sim C02P \\sim C02Q \\sim
C02Q \\sim C02R \\sim C02R \\sim C02S \\sim C02S \\sim C02T \\sim C02T \\sim
C02U \\sim C02U \\sim C02V \\sim C02V \\sim C02W \\sim C02W \\sim C02X \\sim
C02X \\sim C02Y \\sim C02Y \\sim C02Z \\sim C02Z \\sim C031 \\sim C031 \\sim
C032 \\sim C032 \\sim C033 \\sim C033 \\sim C034 \\sim C034 \\sim C035 \\sim
C035 \\sim C036 \\sim C036 \\sim C037 \\sim C037 \\sim C038 \\sim C038 \\sim
C039 \\sim C039 \\sim C03A \\sim C03A \\sim C03B \\sim C03B \\sim C03C \\sim
C03C \\sim C03D \\sim C03D \\sim C03E \\sim C03E \\sim C03G \\sim C03G \\sim
C03H \\sim C03H \\sim C03I \\sim C03I \\sim C03J \\sim C03J \\sim C03K \\sim
C03K \\sim C03L \\sim C03L \\sim C03M \\sim C03M \\sim C03N \\sim C03N \\sim
C03O \\sim C03O \\sim C03P \\sim C03P \\sim C03Q \\sim C03Q \\sim C03R \\sim
C03R \\sim C03S \\sim C03T \\sim C03T \\sim C03U \\sim C03U \\sim C03V \\sim
C03V \\sim C03W \\sim C03W \\sim C03X \\sim C03X \\sim C03Y \\sim C03Y \\sim
C03Z \\sim C03Z \\sim C040 \\sim C040 \\sim C041 \\sim C041 \\sim C042 \\sim
C042 \\sim C043 \\sim C043 \\sim C044 \\sim C044 \\sim C046 \\sim C046 \\sim
C047 \\sim C047 \\sim C048 \\sim C048 \\sim C049 \\sim C049 \\sim C04A \\sim
C04A \\sim C04B \\sim C04B \\sim C04C \\sim C04C \\sim C04D \\sim C04D \\sim
C04E \\sim C04E \\sim C04F \\sim C04F \\sim C04G \\sim C04G \\sim C04H \\sim
C04H \\sim C04I \\sim C04I \\sim C04J \\sim C04J \\sim C04K \\sim C04K \\sim
C04L \\sim C04L \\sim C04M \\sim C04M \\sim C04N \\sim C04N \\sim C04O \\sim
C04O \\sim C04P \\sim C04P \\sim C04Q \\sim C04Q \\sim C04R \\sim C04R \\sim
C04S \\sim C04S \\sim C04T \\sim C04T \\sim C04U \\sim C04U \\sim C04V \\sim
C04V \\sim C04W \\sim C04W \\sim C04X \\sim C04X \\sim C04Y \\sim C04Y \\sim
C04Z \\sim C04Z \\sim C050 \\sim C050 \\sim C051 \\sim C051 \\sim C053 \\sim
C053 \\sim C054 \\sim C054 \\sim C055 \\sim C055 \\sim C056 \\sim C056 \\sim
C057 \\sim C057 \\sim C058 \\sim C058 \\sim C05A \\sim C05A \\sim C05B \\sim
C05B \\sim C05C \\sim C05C \\sim C05D \\sim C05D \\sim C05E \\sim C05E \\sim
C05F \\sim C05F \\sim C05G \\sim C05G \\sim C05H \\sim C05H \\sim C05I \\sim
C05J \\sim C05J \\sim C05L \\sim C05L \\sim C05M \\sim C05M \\sim C05N \\sim
C05N \\sim C05O \\sim C05O \\sim C05P \\sim C05P \\sim C05S \\sim C05S \\sim
C05T \\sim C05T \\sim C05V \\sim C05V \\sim C05X \\sim C05X \\sim C060 \\sim
C060 \\sim C061 \\sim C061 \\sim C7 \\sim C7 \\sim C123 \\sim C123: within 2A
with sigma of 0.01 and sigma for terminal atoms of 0.02
C02I \\sim C05A \\sim C05I \\sim C05O \\sim C05V \\sim C060 \\sim C7 \\sim C28
\\sim C29 \\sim C56: within 3.8A with sigma of 0.01 and sigma for terminal
atoms of 0.02
C21 \\sim C05N \\sim C04V \\sim C061: within 3.8A with sigma of 0.01 and sigma
for terminal atoms of 0.02
C35 \\sim C30 \\sim C39 \\sim C44 \\sim C83 \\sim C33 \\sim C128 \\sim C89
\\sim C78: within 3.8A with sigma of 0.01 and sigma for terminal atoms of 0.02
Ag0R: within 3.8A with sigma of 0.01 and sigma for terminal atoms of 0.02
Ag1: within 3.8A with sigma of 0.01 and sigma for terminal atoms of 0.02
O020 \\sim N01J \\sim O025 \\sim O278: within 3.8A with sigma of 0.01 and sigma
for terminal atoms of 0.02
Uanis(C01M) \\sim Ueq, Uanis(C01M) \\sim Ueq, Uanis(C01N) \\sim Ueq,
Uanis(C01N) \\sim Ueq, Uanis(C01O) \\sim Ueq, Uanis(C01O) \\sim Ueq,
Uanis(C01P) \\sim Ueq, Uanis(C01P) \\sim Ueq, Uanis(C01Q) \\sim Ueq,
Uanis(C01Q) \\sim Ueq, Uanis(C01S) \\sim Ueq, Uanis(C01S) \\sim Ueq,
Uanis(C01T) \\sim Ueq, Uanis(C01U) \\sim Ueq, Uanis(C01U) \\sim Ueq,
Uanis(C01V) \\sim Ueq, Uanis(C01X) \\sim Ueq, Uanis(C01X) \\sim Ueq,
Uanis(C01Y) \\sim Ueq, Uanis(C01Y) \\sim Ueq, Uanis(C01Z) \\sim Ueq,
Uanis(C01Z) \\sim Ueq, Uanis(C021) \\sim Ueq, Uanis(C021) \\sim Ueq,
Uanis(C022) \\sim Ueq, Uanis(C022) \\sim Ueq, Uanis(C023) \\sim Ueq,
Uanis(C023) \\sim Ueq, Uanis(C024) \\sim Ueq, Uanis(C024) \\sim Ueq,
Uanis(C026) \\sim Ueq, Uanis(C026) \\sim Ueq, Uanis(C027) \\sim Ueq,
Uanis(C027) \\sim Ueq, Uanis(C028) \\sim Ueq, Uanis(C028) \\sim Ueq,
Uanis(C029) \\sim Ueq, Uanis(C029) \\sim Ueq, Uanis(C02A) \\sim Ueq,
Uanis(C02A) \\sim Ueq, Uanis(C02B) \\sim Ueq, Uanis(C02B) \\sim Ueq,
Uanis(C02C) \\sim Ueq, Uanis(C02C) \\sim Ueq, Uanis(C02D) \\sim Ueq,
Uanis(C02D) \\sim Ueq, Uanis(C02E) \\sim Ueq, Uanis(C02E) \\sim Ueq,
Uanis(C02F) \\sim Ueq, Uanis(C02G) \\sim Ueq, Uanis(C02G) \\sim Ueq,
Uanis(C02H) \\sim Ueq, Uanis(C02H) \\sim Ueq, Uanis(C02I) \\sim Ueq,
Uanis(C02I) \\sim Ueq, Uanis(C02J) \\sim Ueq, Uanis(C02J) \\sim Ueq,
Uanis(C02K) \\sim Ueq, Uanis(C02K) \\sim Ueq, Uanis(C02L) \\sim Ueq,
Uanis(C02L) \\sim Ueq, Uanis(C02M) \\sim Ueq, Uanis(C02M) \\sim Ueq,
Uanis(C02N) \\sim Ueq, Uanis(C02N) \\sim Ueq, Uanis(C02O) \\sim Ueq,
Uanis(C02O) \\sim Ueq, Uanis(C02P) \\sim Ueq, Uanis(C02P) \\sim Ueq,
Uanis(C02Q) \\sim Ueq, Uanis(C02Q) \\sim Ueq, Uanis(C02R) \\sim Ueq,
Uanis(C02R) \\sim Ueq, Uanis(C02S) \\sim Ueq, Uanis(C02S) \\sim Ueq,
Uanis(C02T) \\sim Ueq, Uanis(C02T) \\sim Ueq, Uanis(C02U) \\sim Ueq,
Uanis(C02U) \\sim Ueq, Uanis(C02V) \\sim Ueq, Uanis(C02V) \\sim Ueq,
Uanis(C02W) \\sim Ueq, Uanis(C02W) \\sim Ueq, Uanis(C02X) \\sim Ueq,
Uanis(C02X) \\sim Ueq, Uanis(C02Y) \\sim Ueq, Uanis(C02Y) \\sim Ueq,
Uanis(C02Z) \\sim Ueq, Uanis(C02Z) \\sim Ueq, Uanis(C031) \\sim Ueq,
Uanis(C031) \\sim Ueq, Uanis(C032) \\sim Ueq, Uanis(C032) \\sim Ueq,
Uanis(C033) \\sim Ueq, Uanis(C033) \\sim Ueq, Uanis(C034) \\sim Ueq,
Uanis(C034) \\sim Ueq, Uanis(C035) \\sim Ueq, Uanis(C035) \\sim Ueq,
Uanis(C036) \\sim Ueq, Uanis(C036) \\sim Ueq, Uanis(C037) \\sim Ueq,
Uanis(C037) \\sim Ueq, Uanis(C038) \\sim Ueq, Uanis(C038) \\sim Ueq,
Uanis(C039) \\sim Ueq, Uanis(C039) \\sim Ueq, Uanis(C03A) \\sim Ueq,
Uanis(C03A) \\sim Ueq, Uanis(C03B) \\sim Ueq, Uanis(C03B) \\sim Ueq,
Uanis(C03C) \\sim Ueq, Uanis(C03C) \\sim Ueq, Uanis(C03D) \\sim Ueq,
Uanis(C03D) \\sim Ueq, Uanis(C03E) \\sim Ueq, Uanis(C03E) \\sim Ueq,
Uanis(C03G) \\sim Ueq, Uanis(C03G) \\sim Ueq, Uanis(C03H) \\sim Ueq,
Uanis(C03H) \\sim Ueq, Uanis(C03I) \\sim Ueq, Uanis(C03I) \\sim Ueq,
Uanis(C03J) \\sim Ueq, Uanis(C03J) \\sim Ueq, Uanis(C03K) \\sim Ueq,
Uanis(C03K) \\sim Ueq, Uanis(C03L) \\sim Ueq, Uanis(C03L) \\sim Ueq,
Uanis(C03M) \\sim Ueq, Uanis(C03M) \\sim Ueq, Uanis(C03N) \\sim Ueq,
Uanis(C03N) \\sim Ueq, Uanis(C03O) \\sim Ueq, Uanis(C03O) \\sim Ueq,
Uanis(C03P) \\sim Ueq, Uanis(C03P) \\sim Ueq, Uanis(C03Q) \\sim Ueq,
Uanis(C03Q) \\sim Ueq, Uanis(C03R) \\sim Ueq, Uanis(C03R) \\sim Ueq,
Uanis(C03S) \\sim Ueq, Uanis(C03T) \\sim Ueq, Uanis(C03T) \\sim Ueq,
Uanis(C03U) \\sim Ueq, Uanis(C03U) \\sim Ueq, Uanis(C03V) \\sim Ueq,
Uanis(C03V) \\sim Ueq, Uanis(C03W) \\sim Ueq, Uanis(C03W) \\sim Ueq,
Uanis(C03X) \\sim Ueq, Uanis(C03X) \\sim Ueq, Uanis(C03Y) \\sim Ueq,
Uanis(C03Y) \\sim Ueq, Uanis(C03Z) \\sim Ueq, Uanis(C03Z) \\sim Ueq,
Uanis(C040) \\sim Ueq, Uanis(C040) \\sim Ueq, Uanis(C041) \\sim Ueq,
Uanis(C041) \\sim Ueq, Uanis(C042) \\sim Ueq, Uanis(C042) \\sim Ueq,
Uanis(C043) \\sim Ueq, Uanis(C043) \\sim Ueq, Uanis(C044) \\sim Ueq,
Uanis(C044) \\sim Ueq, Uanis(C046) \\sim Ueq, Uanis(C046) \\sim Ueq,
Uanis(C047) \\sim Ueq, Uanis(C047) \\sim Ueq, Uanis(C048) \\sim Ueq,
Uanis(C048) \\sim Ueq, Uanis(C049) \\sim Ueq, Uanis(C049) \\sim Ueq,
Uanis(C04A) \\sim Ueq, Uanis(C04A) \\sim Ueq, Uanis(C04B) \\sim Ueq,
Uanis(C04B) \\sim Ueq, Uanis(C04C) \\sim Ueq, Uanis(C04C) \\sim Ueq,
Uanis(C04D) \\sim Ueq, Uanis(C04D) \\sim Ueq, Uanis(C04E) \\sim Ueq,
Uanis(C04E) \\sim Ueq, Uanis(C04F) \\sim Ueq, Uanis(C04F) \\sim Ueq,
Uanis(C04G) \\sim Ueq, Uanis(C04G) \\sim Ueq, Uanis(C04H) \\sim Ueq,
Uanis(C04H) \\sim Ueq, Uanis(C04I) \\sim Ueq, Uanis(C04I) \\sim Ueq,
Uanis(C04J) \\sim Ueq, Uanis(C04J) \\sim Ueq, Uanis(C04K) \\sim Ueq,
Uanis(C04K) \\sim Ueq, Uanis(C04L) \\sim Ueq, Uanis(C04L) \\sim Ueq,
Uanis(C04M) \\sim Ueq, Uanis(C04M) \\sim Ueq, Uanis(C04N) \\sim Ueq,
Uanis(C04N) \\sim Ueq, Uanis(C04O) \\sim Ueq, Uanis(C04O) \\sim Ueq,
Uanis(C04P) \\sim Ueq, Uanis(C04P) \\sim Ueq, Uanis(C04Q) \\sim Ueq,
Uanis(C04Q) \\sim Ueq, Uanis(C04R) \\sim Ueq, Uanis(C04R) \\sim Ueq,
Uanis(C04S) \\sim Ueq, Uanis(C04S) \\sim Ueq, Uanis(C04T) \\sim Ueq,
Uanis(C04T) \\sim Ueq, Uanis(C04U) \\sim Ueq, Uanis(C04U) \\sim Ueq,
Uanis(C04V) \\sim Ueq, Uanis(C04V) \\sim Ueq, Uanis(C04W) \\sim Ueq,
Uanis(C04W) \\sim Ueq, Uanis(C04X) \\sim Ueq, Uanis(C04X) \\sim Ueq,
Uanis(C04Y) \\sim Ueq, Uanis(C04Y) \\sim Ueq, Uanis(C04Z) \\sim Ueq,
Uanis(C04Z) \\sim Ueq, Uanis(C050) \\sim Ueq, Uanis(C050) \\sim Ueq,
Uanis(C051) \\sim Ueq, Uanis(C051) \\sim Ueq, Uanis(C053) \\sim Ueq,
Uanis(C053) \\sim Ueq, Uanis(C054) \\sim Ueq, Uanis(C054) \\sim Ueq,
Uanis(C055) \\sim Ueq, Uanis(C055) \\sim Ueq, Uanis(C056) \\sim Ueq,
Uanis(C056) \\sim Ueq, Uanis(C057) \\sim Ueq, Uanis(C057) \\sim Ueq,
Uanis(C058) \\sim Ueq, Uanis(C058) \\sim Ueq, Uanis(C05A) \\sim Ueq,
Uanis(C05A) \\sim Ueq, Uanis(C05B) \\sim Ueq, Uanis(C05B) \\sim Ueq,
Uanis(C05C) \\sim Ueq, Uanis(C05C) \\sim Ueq, Uanis(C05D) \\sim Ueq,
Uanis(C05D) \\sim Ueq, Uanis(C05E) \\sim Ueq, Uanis(C05E) \\sim Ueq,
Uanis(C05F) \\sim Ueq, Uanis(C05F) \\sim Ueq, Uanis(C05G) \\sim Ueq,
Uanis(C05G) \\sim Ueq, Uanis(C05H) \\sim Ueq, Uanis(C05H) \\sim Ueq,
Uanis(C05I) \\sim Ueq, Uanis(C05J) \\sim Ueq, Uanis(C05J) \\sim Ueq,
Uanis(C05L) \\sim Ueq, Uanis(C05L) \\sim Ueq, Uanis(C05M) \\sim Ueq,
Uanis(C05M) \\sim Ueq, Uanis(C05N) \\sim Ueq, Uanis(C05N) \\sim Ueq,
Uanis(C05O) \\sim Ueq, Uanis(C05O) \\sim Ueq, Uanis(C05P) \\sim Ueq,
Uanis(C05P) \\sim Ueq, Uanis(C05S) \\sim Ueq, Uanis(C05S) \\sim Ueq,
Uanis(C05T) \\sim Ueq, Uanis(C05T) \\sim Ueq, Uanis(C05V) \\sim Ueq,
Uanis(C05V) \\sim Ueq, Uanis(C05X) \\sim Ueq, Uanis(C05X) \\sim Ueq,
Uanis(C060) \\sim Ueq, Uanis(C060) \\sim Ueq, Uanis(C061) \\sim Ueq,
Uanis(C061) \\sim Ueq, Uanis(C7) \\sim Ueq, Uanis(C7) \\sim Ueq, Uanis(C123)
\\sim Ueq, Uanis(C123) \\sim Ueq: with sigma of 0.01 and sigma for terminal
atoms of 0.02
Uanis(C02I) \\sim Ueq, Uanis(C05A) \\sim Ueq, Uanis(C05I) \\sim Ueq,
Uanis(C05O) \\sim Ueq, Uanis(C05V) \\sim Ueq, Uanis(C060) \\sim Ueq, Uanis(C7)
\\sim Ueq, Uanis(C28) \\sim Ueq, Uanis(C29) \\sim Ueq, Uanis(C56) \\sim Ueq:
with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C04V) \\sim Ueq, Uanis(C21) \\sim Ueq, Uanis(C05N) \\sim Ueq, Uanis(C061)
\\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C89) \\sim Ueq, Uanis(C33) \\sim Ueq, Uanis(C83) \\sim Ueq, Uanis(C30)
\\sim Ueq, Uanis(C35) \\sim Ueq, Uanis(C44) \\sim Ueq, Uanis(C78) \\sim Ueq,
Uanis(C39) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(Ag0R) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(Ag1) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(N01J) \\sim Ueq, Uanis(O025) \\sim Ueq, Uanis(O278) \\sim Ueq,
Uanis(O020) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
4. Others
 Fixed Sof: C05A(0.6) H05K(0.6) C05I(0.6) H05V(0.6) H05W(0.6) C05O(0.6)
 H3EA(0.6) H5FA(0.6) C05V(0.6) H7EA(0.6) C060(0.6) H06A(0.6) H06B(0.6) C7(0.6)
 H7A(0.6) H7B(0.6) C28(0.6) H28A(0.6) H28B(0.6) C29(0.6) H29A(0.6) H29B(0.6)
 C56(0.6) H56(0.6) C35(0.4) H35A(0.4) H35B(0.4) C30(0.4) H30(0.4) C33(0.4)
 H33A(0.4) H33B(0.4) C39(0.4) H39A(0.4) H39B(0.4) C44(0.4) H44A(0.4) H44B(0.4)
 C78(0.4) H78(0.4) C83(0.4) H83A(0.4) H83B(0.4) C89(0.4) H89A(0.4) H89B(0.4)
 C128(0.4) H128(0.4)
5.a Ternary CH refined with riding coordinates:
 C01Y(H01Y), C01Z(H01Z), C021(H021), C022(H022), C029(H029), C02O(H0AA),
 C02P(H1AA), C031(H031), C035(H035), C03C(H03S), C03G(H03X), C03H(H03Y),
 C03I(H03Z), C03J(H03), C03K(H1BA), C03M(H3BA), C03N(H4BA), C03Q(H7BA),
 C03R(H8BA), C03T(H0CA), C03X(H4CA), C044(H044), C047(H047), C049(H049),
 C04B(H04O), C04C(H04P), C04D(H04Q), C04F(H04T), C04I(H04Y), C04L(H7CA),
 C04Q(H2DA), C04S(H4DA), C04T(H5DA), C04W(H8DA), C04Y(H0EA), C050(H050),
 C058(H058), C05A(H05K), C05E(H05R), C05F(H05S), C05G(H05T), C05H(H05U),
 C05V(H7EA), C56(H56), C21(H21), C30(H30), C78(H78), C128(H128)
5.b Secondary CH2 refined with riding coordinates:
 C01P(H01A,H01B), C01V(H01C,H01D), C023(H02A,H02B), C024(H02C,H02D), C026(H02E,
 H02F), C027(H02G,H02H), C028(H02I,H02J), C02B(H02K,H02L), C02C(H02M,H02N),
 C02D(H02O,H02P), C02E(H02Q,H02R), C02F(H02S,H02T), C02G(H02U,H02V), C02J(H02W,
 H02X), C02K(H02Y,H), C02L(H02Z,HA), C02M(H02,HB), C02Q(H2AA,HC), C02R(H3AA,HD),
  C02S(H4AA,HE), C02T(H5AA,HF), C02U(H6AA,HG), C02V(H7AA,HH), C02W(H8AA,HI),
 C02X(H9AA,HJ), C02Z(H0BA,HK), C032(H03A,H03B), C033(H03C,H03D), C034(H03E,
 H03F), C036(H03G,H03H), C037(H03I,H03J), C038(H03K,H03L), C039(H03M,H03N),
 C03A(H03O,H03P), C03B(H03Q,H03R), C03D(H03T,H03U), C03E(H03V,H03W), C03L(H2BA,
 HL), C03O(H5BA,HM), C03P(H6BA,HN), C03U(H1CA,HO), C03V(H2CA,HP), C03W(H3CA,HQ),
  C03Y(H5CA,HR), C03Z(H6CA,HS), C040(H04A,H04B), C041(H04C,H04D), C042(H04E,
 H04F), C043(H04G,H04H), C046(H04I,H04J), C048(H04K,H04L), C04A(H04M,H04N),
 C04E(H04R,H04S), C04G(H04U,H04V), C04H(H04W,H04X), C04J(H04Z,HT), C04K(H04,HU),
  C04N(H9CA,HV), C04O(H0DA,HW), C04P(H1DA,HX), C04R(H3DA,HY), C04U(H6DA,HZ),
 C04V(H7DA,H9EA), C04X(H9DA,H0FA), C04Z(H1EA,H1FA), C051(H05A,H05B), C053(H05C,
 H05D), C054(H05E,H05F), C055(H05G,H05H), C057(H05I,H05J), C05B(H05L,H05M),
 C05C(H05N,H05O), C05D(H05P,H05Q), C05I(H05V,H05W), C05J(H05X,H05Y), C05L(H05Z,
 H2FA), C05M(H05,H3FA), C05N(H2EA,H4FA), C05O(H3EA,H5FA), C05P(H4EA,H6FA),
 C05S(H5EA,H7FA), C05T(H6EA,H8FA), C05X(H8EA,H9FA), C060(H06A,H06B), C061(H06C,
 H06D), C7(H7A,H7B), C28(H28A,H28B), C29(H29A,H29B), C35(H35A,H35B), C33(H33A,
 H33B), C39(H39A,H39B), C44(H44A,H44B), C83(H83A,H83B), C89(H89A,H89B)
5.c Aromatic/amide H refined with riding coordinates:
 C03S(H9BA), C04M(H8CA)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag01 Ag 0.13064(3) 0.36604(7) 0.39580(3) 0.0471(3) Uani 1 1 d . . . . .
Ag02 Ag 0.13010(3) 0.19520(6) 0.37366(3) 0.0473(3) Uani 1 1 d . . . . .
Ag03 Ag 0.11653(3) 0.19591(7) 0.51121(3) 0.0489(3) Uani 1 1 d . . . . .
Ag04 Ag 0.25948(3) 0.12233(7) 0.37977(3) 0.0475(3) Uani 1 1 d . . . . .
Ag05 Ag 0.32152(3) 0.11529(7) 0.43775(3) 0.0475(3) Uani 1 1 d . . . . .
Ag06 Ag 0.31983(3) 0.29594(6) 0.39787(3) 0.0456(3) Uani 1 1 d . . . . .
Ag07 Ag 0.19418(3) 0.03125(6) 0.41420(3) 0.0474(3) Uani 1 1 d . . . . .
Ag08 Ag 0.23794(3) 0.43982(7) 0.42284(3) 0.0498(3) Uani 1 1 d . . . . .
Ag09 Ag 0.38152(4) 0.34596(7) 0.56517(3) 0.0509(3) Uani 1 1 d . . . . .
Ag0A Ag 0.35286(3) 0.07381(7) 0.51763(3) 0.0513(3) Uani 1 1 d . . . . .
Ag0B Ag 0.25751(4) 0.23134(7) 0.32480(3) 0.0507(3) Uani 1 1 d . . . . .
Ag0C Ag 0.16522(4) 0.10827(7) 0.33941(3) 0.0530(3) Uani 1 1 d . . . . .
Ag0D Ag 0.16679(3) 0.09622(7) 0.55222(3) 0.0520(3) Uani 1 1 d . . . . .
Ag0E Ag 0.39802(3) 0.19031(7) 0.54932(3) 0.0503(3) Uani 1 1 d . . . . .
Ag0F Ag 0.26696(4) 0.00536(7) 0.46713(3) 0.0523(3) Uani 1 1 d . . . . .
Ag0G Ag 0.14316(4) 0.31860(8) 0.32323(3) 0.0562(4) Uani 1 1 d . . . . .
Ag0I Ag 0.20610(4) -0.00129(8) 0.50280(3) 0.0553(4) Uani 1 1 d . . . . .
Ag0J Ag 0.21825(4) 0.23066(9) 0.41138(4) 0.0644(4) Uani 1 1 d . . . . .
Ag0K Ag 0.22095(4) 0.18058(8) 0.48052(4) 0.0667(4) Uani 1 1 d . . . . .
Ag0L Ag 0.27958(4) 0.24741(9) 0.47432(4) 0.0668(4) Uani 1 1 d . . . . .
Ag0M Ag 0.21614(5) 0.30661(9) 0.47530(4) 0.0722(5) Uani 1 1 d . . . . .
Ag0N Ag 0.13968(5) 0.24672(8) 0.27383(4) 0.0684(4) Uani 1 1 d . . . . .
Ag0O Ag 0.22044(5) 0.36525(9) 0.35773(5) 0.0832(6) Uani 1 1 d . . . . .
Br0P Br 0.28002(5) 0.07436(10) 0.52428(5) 0.0512(5) Uani 1 1 d . . . . .
Br0Q Br 0.16854(5) 0.11636(10) 0.48891(4) 0.0515(5) Uani 1 1 d . . . . .
Ag0R Ag 0.20114(5) 0.22516(10) 0.35756(5) 0.0793(5) Uani 1 1 d . U . . .
Ag0S Ag 0.34380(6) 0.19452(10) 0.48727(5) 0.0825(5) Uani 1 1 d . . . . .
Ag0T Ag 0.24272(5) 0.13010(10) 0.43957(5) 0.0819(5) Uani 1 1 d . . . . .
Ag0U Ag 0.26928(6) 0.31521(11) 0.42944(5) 0.0837(6) Uani 1 1 d . . . . .
Ag0V Ag 0.16500(5) 0.26433(11) 0.43188(5) 0.0827(6) Uani 1 1 d . . . . .
S00W S 0.27590(11) 0.3230(2) 0.35148(9) 0.0425(9) Uani 1 1 d . . . . .
S00X S 0.31640(10) 0.1758(2) 0.39606(10) 0.0419(9) Uani 1 1 d . . . . .
S00Y S 0.18501(11) 0.4173(2) 0.38328(10) 0.0444(10) Uani 1 1 d . . . . .
S00Z S 0.41557(11) 0.2905(2) 0.53884(9) 0.0443(9) Uani 1 1 d . . . . .
S010 S 0.20490(11) 0.0105(2) 0.55077(10) 0.0452(9) Uani 1 1 d . . . . .
S011 S 0.21180(11) 0.0463(2) 0.37032(9) 0.0434(9) Uani 1 1 d . . . . .
S012 S 0.12709(11) 0.1738(2) 0.56066(10) 0.0454(10) Uani 1 1 d . . . . .
S013 S 0.38967(10) 0.0895(2) 0.56554(9) 0.0435(9) Uani 1 1 d . . . . .
S014 S 0.25136(12) 0.1455(2) 0.29401(11) 0.0493(10) Uani 1 1 d . . . . .
S015 S 0.13547(11) 0.0996(2) 0.39782(10) 0.0446(9) Uani 1 1 d . . . . .
S016 S 0.20528(12) -0.0326(2) 0.45620(10) 0.0465(10) Uani 1 1 d . . . . .
S017 S 0.10954(11) 0.2952(2) 0.35480(9) 0.0436(9) Uani 1 1 d D . . . .
S018 S 0.32908(11) 0.0309(2) 0.47059(10) 0.0462(10) Uani 1 1 d . . . . .
S019 S 0.12814(12) 0.1530(2) 0.29550(11) 0.0505(11) Uani 1 1 d . . . . .
S01A S 0.17513(12) 0.3363(3) 0.29007(11) 0.0555(12) Uani 1 1 d . . . . .
N01J N 0.1105(4) 0.2462(9) 0.2150(4) 0.054(3) Uani 1 1 d . U . . .
C01M C 0.2259(5) -0.0157(10) 0.3524(4) 0.052(3) Uani 1 1 d . U . . .
C01N C 0.2059(5) -0.1126(10) 0.4480(4) 0.051(3) Uani 1 1 d . U . . .
C01O C 0.1048(4) 0.0936(9) 0.2700(4) 0.044(3) Uani 1 1 d . U . . .
C01P C 0.2442(5) 0.2401(10) 0.2547(4) 0.052(3) Uani 1 1 d . U . . .
H01A H 0.260738 0.264137 0.270026 0.062 Uiso 1 1 calc R . . . .
H01B H 0.218967 0.247590 0.254880 0.062 Uiso 1 1 calc R . . . .
C01Q C 0.3495(5) 0.1457(9) 0.3794(4) 0.048(3) Uani 1 1 d . U . . .
C01S C 0.2964(5) 0.3737(10) 0.3314(5) 0.054(3) Uani 1 1 d . U . . .
C01T C 0.1926(5) -0.0552(11) 0.5694(5) 0.056(3) Uani 1 1 d . U . . .
C01U C 0.4648(5) 0.2957(11) 0.5478(5) 0.059(3) Uani 1 1 d . U . . .
C01V C 0.0629(5) 0.0856(10) 0.3675(4) 0.051(3) Uani 1 1 d . U . . .
H01C H 0.067442 0.109139 0.351947 0.061 Uiso 1 1 calc R . . . .
H01D H 0.057431 0.114600 0.380817 0.061 Uiso 1 1 calc R . . . .
C01X C 0.2530(5) 0.1733(9) 0.2595(4) 0.048(3) Uani 1 1 d . U . . .
C01Y C 0.0859(5) -0.0140(10) 0.2619(4) 0.049(3) Uani 1 1 d . U . . .
H01Y H 0.087127 -0.054340 0.271396 0.058 Uiso 1 1 calc R . . . .
C01Z C 0.2484(5) 0.2607(10) 0.2269(4) 0.052(3) Uani 1 1 d . U . . .
H01Z H 0.243449 0.305265 0.224111 0.062 Uiso 1 1 calc R . . . .
O020 O 0.1424(4) 0.2378(9) 0.2236(4) 0.072(3) Uani 1 1 d . U . . .
C021 C -0.0007(5) 0.2590(10) 0.3408(4) 0.053(3) Uani 1 1 d . U . . .
H021 H -0.013417 0.241324 0.353745 0.063 Uiso 1 1 calc R . . . .
C022 C 0.0996(5) 0.0438(10) 0.2242(4) 0.049(3) Uani 1 1 d . U . . .
H022 H 0.110981 0.040937 0.208644 0.059 Uiso 1 1 calc R . . . .
C023 C 0.2213(6) -0.1033(11) 0.5726(5) 0.059(4) Uani 1 1 d . U . . .
H02A H 0.245390 -0.085359 0.582015 0.071 Uiso 1 1 calc R . . . .
H02B H 0.221361 -0.117120 0.553723 0.071 Uiso 1 1 calc R . . . .
C024 C 0.0588(5) 0.0653(11) 0.2118(4) 0.055(3) Uani 1 1 d . U . . .
H02C H 0.044839 0.035953 0.197620 0.067 Uiso 1 1 calc R . . . .
H02D H 0.057629 0.105812 0.202935 0.067 Uiso 1 1 calc R . . . .
O025 O 0.0932(4) 0.2455(9) 0.1894(4) 0.075(4) Uani 1 1 d . U . . .
C026 C 0.0413(4) 0.2642(9) 0.3558(4) 0.050(3) Uani 1 1 d D U . . .
H02E H 0.045447 0.289886 0.372704 0.061 Uiso 1 1 calc R . . . .
H02F H 0.051301 0.223230 0.361776 0.061 Uiso 1 1 calc R . . . .
C027 C 0.0443(5) 0.3551(8) 0.3275(5) 0.060(4) Uani 1 1 d D U . . .
H02G H 0.048342 0.381073 0.344346 0.072 Uiso 1 1 calc R . . . .
H02H H 0.056590 0.374571 0.314878 0.072 Uiso 1 1 calc R . . . .
C028 C 0.1202(4) 0.0892(9) 0.2455(4) 0.045(3) Uani 1 1 d . U . . .
H02I H 0.119038 0.129687 0.236524 0.054 Uiso 1 1 calc R . . . .
H02J H 0.146124 0.076960 0.252411 0.054 Uiso 1 1 calc R . . . .
C029 C 0.0431(5) 0.0681(10) 0.2377(4) 0.051(3) Uani 1 1 d . U . . .
H029 H 0.017171 0.081554 0.231060 0.061 Uiso 1 1 calc R . . . .
C02A C 0.1666(6) 0.4910(12) 0.3681(5) 0.066(4) Uani 1 1 d . U . . .
C02B C 0.2277(5) 0.0085(10) 0.3227(4) 0.055(3) Uani 1 1 d . U . . .
H02K H 0.203509 0.023691 0.311574 0.067 Uiso 1 1 calc R . . . .
H02L H 0.245334 0.042392 0.325422 0.067 Uiso 1 1 calc R . . . .
C02C C 0.2137(6) -0.1525(11) 0.4747(5) 0.062(4) Uani 1 1 d . U . . .
H02M H 0.195371 -0.143723 0.484488 0.074 Uiso 1 1 calc R . . . .
H02N H 0.237966 -0.142206 0.487536 0.074 Uiso 1 1 calc R . . . .
C02D C 0.1018(5) -0.0209(10) 0.2391(4) 0.051(3) Uani 1 1 d . U . . .
H02O H 0.088144 -0.051687 0.225512 0.062 Uiso 1 1 calc R . . . .
H02P H 0.127436 -0.034321 0.246404 0.062 Uiso 1 1 calc R . . . .
C02E C 0.2621(5) -0.0404(10) 0.3684(4) 0.055(3) Uani 1 1 d . U . . .
H02Q H 0.261212 -0.053377 0.387217 0.066 Uiso 1 1 calc R . . . .
H02R H 0.280423 -0.007601 0.371137 0.066 Uiso 1 1 calc R . . . .
C02F C 0.0645(5) 0.1121(10) 0.2588(4) 0.051(3) Uani 1 1 d . U . . .
H02S H 0.054094 0.114385 0.274658 0.061 Uiso 1 1 calc R . . . .
H02T H 0.062739 0.153048 0.250220 0.061 Uiso 1 1 calc R . . . .
C02G C 0.1048(5) 0.0104(11) 0.3598(5) 0.057(3) Uani 1 1 d . U . . .
H02U H 0.109193 0.036114 0.344835 0.068 Uiso 1 1 calc R . . . .
H02V H 0.126976 -0.013714 0.368522 0.068 Uiso 1 1 calc R . . . .
C02H C 0.0952(5) 0.0500(10) 0.3817(4) 0.049(3) Uani 1 1 d . U . . .
C02I C 0.0874(4) 0.1404(8) 0.5674(4) 0.072(3) Uani 1 1 d D U . . .
C02J C 0.3233(5) 0.3354(10) 0.3201(5) 0.055(3) Uani 1 1 d . U . . .
H02W H 0.342779 0.317735 0.335827 0.066 Uiso 1 1 calc R . . . .
H02X H 0.310245 0.301818 0.307987 0.066 Uiso 1 1 calc R . . . .
C02K C -0.0148(5) 0.3239(11) 0.3315(5) 0.059(4) Uani 1 1 d . U . . .
H02Y H -0.041092 0.322325 0.321356 0.071 Uiso 1 1 calc R . . . .
H H -0.011427 0.349964 0.348304 0.071 Uiso 1 1 calc R . . . .
C02L C 0.1580(6) -0.0835(11) 0.5528(5) 0.062(4) Uani 1 1 d . U . . .
H02Z H 0.160401 -0.097723 0.534673 0.074 Uiso 1 1 calc R . . . .
HA H 0.138386 -0.052604 0.548882 0.074 Uiso 1 1 calc R . . . .
C02M C 0.2911(5) 0.1612(11) 0.2585(4) 0.055(3) Uani 1 1 d . U . . .
H02 H 0.296600 0.117325 0.261826 0.066 Uiso 1 1 calc R . . . .
HB H 0.308525 0.184295 0.273644 0.066 Uiso 1 1 calc R . . . .
C02N C 0.3555(5) -0.0326(10) 0.4637(4) 0.070(4) Uani 1 1 d D U . . .
C02O C 0.2399(6) -0.0458(11) 0.3068(5) 0.060(3) Uani 1 1 d . U . . .
H0AA H 0.241770 -0.031767 0.288273 0.072 Uiso 1 1 calc R . . . .
C02P C 0.3661(5) 0.0655(10) 0.3502(5) 0.055(3) Uani 1 1 d . U . . .
H1AA H 0.357050 0.028162 0.338786 0.066 Uiso 1 1 calc R . . . .
C02Q C 0.0538(5) 0.2525(10) 0.3099(4) 0.060(4) Uani 1 1 d D U . . .
H2AA H 0.065692 0.270971 0.296807 0.072 Uiso 1 1 calc R . . . .
HC H 0.064388 0.211531 0.315085 0.072 Uiso 1 1 calc R . . . .
C02R C 0.4828(5) 0.2805(11) 0.5793(5) 0.058(4) Uani 1 1 d . U . . .
H3AA H 0.473392 0.308366 0.591099 0.070 Uiso 1 1 calc R . . . .
HD H 0.476614 0.238291 0.583144 0.070 Uiso 1 1 calc R . . . .
C02S C 0.3604(5) 0.4302(11) 0.3214(5) 0.059(4) Uani 1 1 d . U . . .
H4AA H 0.379822 0.412898 0.337340 0.071 Uiso 1 1 calc R . . . .
HE H 0.371905 0.456823 0.310479 0.071 Uiso 1 1 calc R . . . .
C02T C 0.2352(5) -0.1293(10) 0.4349(5) 0.054(3) Uani 1 1 d . U . . .
H5AA H 0.232114 -0.104007 0.417989 0.064 Uiso 1 1 calc R . . . .
HF H 0.259157 -0.119220 0.448325 0.064 Uiso 1 1 calc R . . . .
C02U C 0.2664(5) 0.3978(11) 0.3047(5) 0.060(4) Uani 1 1 d . U . . .
H6AA H 0.254593 0.363039 0.292860 0.071 Uiso 1 1 calc R . . . .
HG H 0.247596 0.420334 0.310499 0.071 Uiso 1 1 calc R . . . .
C02V C 0.3853(5) 0.1324(10) 0.4015(4) 0.054(3) Uani 1 1 d . U . . .
H7AA H 0.381452 0.099896 0.414091 0.064 Uiso 1 1 calc R . . . .
HH H 0.393452 0.169351 0.413021 0.064 Uiso 1 1 calc R . . . .
C02W C 0.0454(5) 0.0055(9) 0.2512(4) 0.049(3) Uani 1 1 d . U . . .
H8AA H 0.031372 -0.024363 0.237248 0.058 Uiso 1 1 calc R . . . .
HI H 0.034835 0.006984 0.266968 0.058 Uiso 1 1 calc R . . . .
C02X C -0.0056(5) 0.2178(11) 0.3150(4) 0.057(4) Uani 1 1 d . U . . .
H9AA H 0.004627 0.176904 0.320944 0.069 Uiso 1 1 calc R . . . .
HJ H -0.031741 0.213238 0.304773 0.069 Uiso 1 1 calc R . . . .
C02Y C 0.4347(3) 0.0517(7) 0.5762(3) 0.075(4) Uani 1 1 d D U . . .
C02Z C 0.4789(6) 0.2534(12) 0.5300(5) 0.065(4) Uani 1 1 d . U . . .
H0BA H 0.472076 0.211105 0.533145 0.077 Uiso 1 1 calc R . . . .
HK H 0.467398 0.263442 0.510014 0.077 Uiso 1 1 calc R . . . .
C031 C 0.0051(6) 0.3508(12) 0.3131(5) 0.064(3) Uani 1 1 d . U . . .
H031 H -0.004641 0.392447 0.307176 0.077 Uiso 1 1 calc R . . . .
C032 C 0.1969(5) -0.0659(10) 0.3472(4) 0.055(3) Uani 1 1 d . U . . .
H03A H 0.172916 -0.049048 0.336585 0.067 Uiso 1 1 calc R . . . .
H03B H 0.195178 -0.081667 0.365311 0.067 Uiso 1 1 calc R . . . .
C033 C 0.3151(6) 0.4258(11) 0.3499(5) 0.059(4) Uani 1 1 d . U . . .
H03C H 0.333298 0.409993 0.366919 0.071 Uiso 1 1 calc R . . . .
H03D H 0.297061 0.450420 0.355725 0.071 Uiso 1 1 calc R . . . .
C034 C 0.2863(5) 0.2452(10) 0.2251(5) 0.054(3) Uani 1 1 d . U . . .
H03E H 0.287628 0.255964 0.206195 0.065 Uiso 1 1 calc R . . . .
H03F H 0.304466 0.270301 0.238909 0.065 Uiso 1 1 calc R . . . .
C035 C 0.0142(5) 0.2468(11) 0.2958(5) 0.061(3) Uani 1 1 d . U . . .
H035 H 0.010009 0.221932 0.278336 0.073 Uiso 1 1 calc R . . . .
C036 C 0.3728(5) 0.1150(10) 0.3311(4) 0.055(3) Uani 1 1 d . U . . .
H03G H 0.391034 0.100705 0.322187 0.066 Uiso 1 1 calc R . . . .
H03H H 0.349877 0.123318 0.316062 0.066 Uiso 1 1 calc R . . . .
C037 C 0.3559(5) 0.1937(10) 0.3582(4) 0.053(3) Uani 1 1 d . U . . .
H03I H 0.333159 0.199546 0.342674 0.064 Uiso 1 1 calc R . . . .
H03J H 0.362774 0.233315 0.367799 0.064 Uiso 1 1 calc R . . . .
C038 C 0.0901(6) 0.0110(11) 0.4054(5) 0.060(4) Uani 1 1 d . U . . .
H03K H 0.083669 0.036925 0.419397 0.072 Uiso 1 1 calc R . . . .
H03L H 0.112872 -0.011067 0.414809 0.072 Uiso 1 1 calc R . . . .
C039 C 0.3371(5) 0.0874(10) 0.3634(4) 0.049(3) Uani 1 1 d . U . . .
H03M H 0.313819 0.094397 0.348555 0.058 Uiso 1 1 calc R . . . .
H03N H 0.332945 0.055778 0.376291 0.058 Uiso 1 1 calc R . . . .
C03A C 0.1689(5) -0.1307(10) 0.4276(5) 0.058(4) Uani 1 1 d . U . . .
H03O H 0.164424 -0.107814 0.409790 0.070 Uiso 1 1 calc R . . . .
H03P H 0.149148 -0.121364 0.435838 0.070 Uiso 1 1 calc R . . . .
C03B C 0.2208(5) 0.2222(10) 0.2023(5) 0.057(4) Uani 1 1 d . U . . .
H03Q H 0.195447 0.229752 0.202333 0.068 Uiso 1 1 calc R . . . .
H03R H 0.223104 0.234928 0.183926 0.068 Uiso 1 1 calc R . . . .
C03C C 0.3395(5) 0.3797(11) 0.3031(5) 0.058(3) Uani 1 1 d . U . . .
H03S H 0.357490 0.355928 0.296349 0.069 Uiso 1 1 calc R . . . .
C03D C 0.1913(5) -0.0339(10) 0.5963(4) 0.054(3) Uani 1 1 d . U . . .
H03T H 0.172370 -0.002105 0.593753 0.065 Uiso 1 1 calc R . . . .
H03U H 0.215016 -0.015860 0.606734 0.065 Uiso 1 1 calc R . . . .
C03E C 0.2456(6) -0.1461(12) 0.3490(5) 0.065(4) Uani 1 1 d . U . . .
H03V H 0.242785 -0.159033 0.367277 0.078 Uiso 1 1 calc R . . . .
H03W H 0.253483 -0.181842 0.340244 0.078 Uiso 1 1 calc R . . . .
C03G C 0.2961(6) 0.1790(11) 0.2306(5) 0.060(3) Uani 1 1 d . U . . .
H03X H 0.321387 0.170482 0.230121 0.072 Uiso 1 1 calc R . . . .
C03H C 0.2079(6) -0.1213(11) 0.3293(5) 0.059(3) Uani 1 1 d . U . . .
H03Y H 0.189202 -0.154207 0.325957 0.071 Uiso 1 1 calc R . . . .
C03I C 0.2125(6) -0.2210(12) 0.4673(6) 0.071(4) Uani 1 1 d . U . . .
H03Z H 0.216125 -0.245765 0.484688 0.085 Uiso 1 1 calc R . . . .
C03J C 0.0725(6) -0.0319(12) 0.3474(5) 0.063(3) Uani 1 1 d . U . . .
H03 H 0.077652 -0.058728 0.332919 0.075 Uiso 1 1 calc R . . . .
C03K C 0.2151(6) -0.1585(11) 0.5896(5) 0.064(3) Uani 1 1 d . U . . .
H1BA H 0.235206 -0.188796 0.591984 0.077 Uiso 1 1 calc R . . . .
C03L C -0.0005(6) 0.3123(12) 0.2880(5) 0.064(4) Uani 1 1 d . U . . .
H2BA H 0.011942 0.330839 0.275319 0.076 Uiso 1 1 calc R . . . .
HL H -0.026856 0.310336 0.277856 0.076 Uiso 1 1 calc R . . . .
C03M C 0.3343(6) 0.4660(11) 0.3320(5) 0.063(3) Uani 1 1 d . U . . .
H3BA H 0.347928 0.499652 0.344172 0.075 Uiso 1 1 calc R . . . .
C03N C 0.2299(6) 0.1540(11) 0.2072(5) 0.058(3) Uani 1 1 d . U . . .
H4BA H 0.212257 0.129486 0.192327 0.070 Uiso 1 1 calc R . . . .
C03O C 0.1065(4) 0.0324(8) 0.2840(4) 0.042(3) Uani 1 1 d . U . . .
H5BA H 0.095179 0.034990 0.299363 0.050 Uiso 1 1 calc R . . . .
HM H 0.132130 0.019622 0.292100 0.050 Uiso 1 1 calc R . . . .
C03P C 0.1310(6) 0.4844(13) 0.3457(6) 0.071(4) Uani 1 1 d . U . . .
H6BA H 0.112732 0.466180 0.353653 0.085 Uiso 1 1 calc R . . . .
HN H 0.133874 0.457110 0.330681 0.085 Uiso 1 1 calc R . . . .
C03Q C 0.0572(6) -0.0374(12) 0.3915(5) 0.065(3) Uani 1 1 d . U . . .
H7BA H 0.053097 -0.064556 0.406329 0.077 Uiso 1 1 calc R . . . .
C03R C 0.0298(5) 0.0417(10) 0.3556(5) 0.055(3) Uani 1 1 d . U . . .
H8BA H 0.007449 0.065903 0.346174 0.066 Uiso 1 1 calc R . . . .
C03S C 0.0652(6) -0.0716(12) 0.3709(5) 0.068(4) Uani 1 1 d . U . . .
H9BA H 0.066238 -0.114783 0.371024 0.082 Uiso 1 1 calc R . . . .
C03T C 0.5232(5) 0.2871(12) 0.5865(5) 0.063(3) Uani 1 1 d . U . . .
H0CA H 0.534876 0.277449 0.606734 0.076 Uiso 1 1 calc R . . . .
C03U C 0.0394(5) 0.0029(11) 0.3349(5) 0.059(3) Uani 1 1 d . U . . .
H1CA H 0.019147 -0.025459 0.326503 0.070 Uiso 1 1 calc R . . . .
HO H 0.042969 0.028753 0.319665 0.070 Uiso 1 1 calc R . . . .
C03V C 0.1776(6) -0.1864(12) 0.5711(5) 0.068(4) Uani 1 1 d . U . . .
H2CA H 0.179359 -0.198648 0.552481 0.082 Uiso 1 1 calc R . . . .
HP H 0.171349 -0.222778 0.580441 0.082 Uiso 1 1 calc R . . . .
C03W C 0.1600(7) 0.5289(13) 0.3910(6) 0.075(4) Uani 1 1 d . U . . .
H3CA H 0.183100 0.534695 0.406244 0.090 Uiso 1 1 calc R . . . .
HQ H 0.142493 0.508189 0.398959 0.090 Uiso 1 1 calc R . . . .
C03X C 0.3646(5) -0.1063(10) 0.4293(6) 0.083(4) Uani 1 1 d D U . . .
H4CA H 0.354700 -0.120903 0.409557 0.099 Uiso 1 1 calc R . . . .
C03Y C 0.4210(5) 0.1594(11) 0.3690(5) 0.060(3) Uani 1 1 d . U . . .
H5CA H 0.439414 0.145120 0.360174 0.072 Uiso 1 1 calc R . . . .
HR H 0.430141 0.197439 0.379362 0.072 Uiso 1 1 calc R . . . .
C03Z C 0.3550(7) -0.0845(10) 0.4844(5) 0.078(4) Uani 1 1 d D U . . .
H6CA H 0.365426 -0.069813 0.503874 0.094 Uiso 1 1 calc R . . . .
HS H 0.329648 -0.097403 0.481871 0.094 Uiso 1 1 calc R . . . .
C040 C 0.2129(6) -0.1362(11) 0.6189(5) 0.065(4) Uani 1 1 d . U . . .
H04A H 0.207543 -0.170913 0.629684 0.078 Uiso 1 1 calc R . . . .
H04B H 0.236236 -0.117732 0.629768 0.078 Uiso 1 1 calc R . . . .
C041 C 0.0234(5) 0.0038(11) 0.3789(5) 0.059(4) Uani 1 1 d . U . . .
H04C H 0.001450 -0.021799 0.371482 0.071 Uiso 1 1 calc R . . . .
H04D H 0.019463 0.030636 0.393652 0.071 Uiso 1 1 calc R . . . .
C042 C 0.5363(6) 0.2430(13) 0.5682(5) 0.072(4) Uani 1 1 d . U . . .
H04E H 0.529773 0.200920 0.572013 0.087 Uiso 1 1 calc R . . . .
H04F H 0.563087 0.245376 0.572940 0.087 Uiso 1 1 calc R . . . .
C043 C 0.3036(6) 0.4941(12) 0.3078(5) 0.068(4) Uani 1 1 d . U . . .
H04G H 0.313861 0.524173 0.297466 0.081 Uiso 1 1 calc R . . . .
H04H H 0.285785 0.515061 0.315332 0.081 Uiso 1 1 calc R . . . .
C044 C 0.5190(7) 0.2576(14) 0.5366(6) 0.076(4) Uani 1 1 d . U . . .
H044 H 0.528182 0.229334 0.524536 0.092 Uiso 1 1 calc R . . . .
C046 C 0.2273(5) 0.1344(10) 0.2374(4) 0.055(3) Uani 1 1 d . U . . .
H04I H 0.202084 0.139928 0.238161 0.066 Uiso 1 1 calc R . . . .
H04J H 0.233872 0.090947 0.240894 0.066 Uiso 1 1 calc R . . . .
C047 C 0.2355(6) -0.1949(11) 0.4268(5) 0.065(3) Uani 1 1 d . U . . .
H047 H 0.255406 -0.202348 0.418190 0.078 Uiso 1 1 calc R . . . .
C048 C 0.2426(7) -0.2336(12) 0.4549(5) 0.071(4) Uani 1 1 d . U . . .
H04K H 0.243357 -0.277518 0.450771 0.085 Uiso 1 1 calc R . . . .
H04L H 0.266201 -0.221917 0.468387 0.085 Uiso 1 1 calc R . . . .
C049 C 0.3858(5) 0.1719(10) 0.3467(5) 0.054(3) Uani 1 1 d . U . . .
H049 H 0.390002 0.203161 0.333381 0.065 Uiso 1 1 calc R . . . .
C04A C 0.3957(5) -0.0141(10) 0.4696(6) 0.070(4) Uani 1 1 d D U . . .
H04M H 0.397485 0.020093 0.457203 0.084 Uiso 1 1 calc R . . . .
H04N H 0.405445 -0.000101 0.489298 0.084 Uiso 1 1 calc R . . . .
C04B C 0.1477(6) -0.1358(12) 0.5678(5) 0.066(4) Uani 1 1 d . U . . .
H04O H 0.123583 -0.152128 0.556478 0.080 Uiso 1 1 calc R . . . .
C04C C 0.1703(6) -0.2007(12) 0.4221(5) 0.068(4) Uani 1 1 d . U . . .
H04P H 0.145900 -0.211200 0.408937 0.081 Uiso 1 1 calc R . . . .
C04D C 0.0953(7) 0.4440(13) 0.2353(6) 0.075(4) Uani 1 1 d . U . . .
H04Q H 0.068178 0.443221 0.230320 0.090 Uiso 1 1 calc R . . . .
C04E C 0.1947(7) 0.5240(13) 0.3577(6) 0.076(4) Uani 1 1 d . U . . .
H04R H 0.199681 0.500574 0.342306 0.091 Uiso 1 1 calc R . . . .
H04S H 0.217764 0.527791 0.373147 0.091 Uiso 1 1 calc R . . . .
C04F C 0.2743(6) -0.0954(11) 0.3537(5) 0.060(3) Uani 1 1 d . U . . .
H04T H 0.298703 -0.110662 0.365135 0.073 Uiso 1 1 calc R . . . .
C04G C 0.1977(6) -0.2131(11) 0.4056(5) 0.065(4) Uani 1 1 d . U . . .
H04U H 0.192182 -0.187740 0.388400 0.078 Uiso 1 1 calc R . . . .
H04V H 0.197424 -0.256495 0.400215 0.078 Uiso 1 1 calc R . . . .
C04H C 0.1102(7) 0.5084(13) 0.2476(6) 0.079(4) Uani 1 1 d . U . . .
H04W H 0.099494 0.540748 0.233831 0.094 Uiso 1 1 calc R . . . .
H04X H 0.103498 0.516517 0.264949 0.094 Uiso 1 1 calc R . . . .
C04I C 0.1174(8) 0.5504(15) 0.3328(6) 0.085(4) Uani 1 1 d . U . . .
H04Y H 0.094241 0.545602 0.317225 0.102 Uiso 1 1 calc R . . . .
C04J C 0.2102(6) -0.0984(11) 0.3025(5) 0.062(4) Uani 1 1 d . U . . .
H04Z H 0.186126 -0.082277 0.291553 0.075 Uiso 1 1 calc R . . . .
HT H 0.216547 -0.132150 0.291759 0.075 Uiso 1 1 calc R . . . .
C04K C 0.3406(6) -0.0531(11) 0.4331(4) 0.073(4) Uani 1 1 d D U . . .
H04 H 0.341661 -0.019310 0.420267 0.087 Uiso 1 1 calc R . . . .
HU H 0.314947 -0.066475 0.428960 0.087 Uiso 1 1 calc R . . . .
C04L C 0.1793(8) 0.5914(15) 0.3465(6) 0.086(4) Uani 1 1 d . U . . .
H7CA H 0.197729 0.613770 0.339842 0.103 Uiso 1 1 calc R . . . .
C04M C 0.1737(7) -0.2355(12) 0.4461(6) 0.073(4) Uani 1 1 d . U . . .
H8CA H 0.156127 -0.262677 0.449122 0.088 Uiso 1 1 calc R . . . .
C04N C 0.4738(6) 0.3630(12) 0.5422(5) 0.067(4) Uani 1 1 d . U . . .
H9CA H 0.462741 0.391264 0.552768 0.080 Uiso 1 1 calc R . . . .
HV H 0.463767 0.372434 0.521939 0.080 Uiso 1 1 calc R . . . .
C04O C 0.1121(6) 0.3931(13) 0.2575(5) 0.070(4) Uani 1 1 d . U . . .
H0DA H 0.105014 0.400325 0.274773 0.084 Uiso 1 1 calc R . . . .
HW H 0.102736 0.352734 0.249938 0.084 Uiso 1 1 calc R . . . .
C04P C 0.4042(5) -0.0869(14) 0.4336(5) 0.083(4) Uani 1 1 d D U . . .
H1DA H 0.405399 -0.052381 0.421208 0.100 Uiso 1 1 calc R . . . .
HX H 0.418638 -0.121171 0.429639 0.100 Uiso 1 1 calc R . . . .
C04Q C 0.1482(7) 0.4360(14) 0.2147(6) 0.077(4) Uani 1 1 d . U . . .
H2DA H 0.154515 0.428896 0.196893 0.092 Uiso 1 1 calc R . . . .
C04R C 0.1070(6) 0.4322(13) 0.2096(6) 0.075(4) Uani 1 1 d . U . . .
H3DA H 0.094905 0.462192 0.195023 0.090 Uiso 1 1 calc R . . . .
HY H 0.098505 0.391215 0.202354 0.090 Uiso 1 1 calc R . . . .
C04S C 0.1530(7) 0.5079(13) 0.2543(6) 0.076(4) Uani 1 1 d . U . . .
H4DA H 0.163138 0.548152 0.262297 0.091 Uiso 1 1 calc R . . . .
C04T C 0.1823(6) -0.0891(11) 0.6134(5) 0.060(3) Uani 1 1 d . U . . .
H5DA H 0.180208 -0.073892 0.631703 0.072 Uiso 1 1 calc R . . . .
C04U C 0.1655(7) 0.3837(14) 0.2376(6) 0.080(4) Uani 1 1 d . U . . .
H6DA H 0.157274 0.343085 0.229525 0.096 Uiso 1 1 calc R . . . .
HZ H 0.192393 0.384917 0.242582 0.096 Uiso 1 1 calc R . . . .
C04V C 0.5013(4) 0.0204(9) 0.6209(3) 0.092(4) Uani 1 1 d D U . . .
H7DA H 0.496636 0.043930 0.636351 0.110 Uiso 1 1 calc R . . . .
H9EA H 0.524881 -0.000812 0.628231 0.110 Uiso 1 1 calc R . . . .
C04W C 0.4155(5) 0.1122(11) 0.3889(5) 0.059(3) Uani 1 1 d . U . . .
H8DA H 0.438767 0.104106 0.404031 0.071 Uiso 1 1 calc R . . . .
C04X C 0.1628(7) 0.4955(14) 0.2275(6) 0.078(4) Uani 1 1 d . U . . .
H9DA H 0.152991 0.528585 0.213903 0.093 Uiso 1 1 calc R . . . .
H0FA H 0.189630 0.495607 0.231790 0.093 Uiso 1 1 calc R . . . .
C04Y C 0.2845(6) 0.4409(12) 0.2876(5) 0.066(4) Uani 1 1 d . U . . .
H0EA H 0.265270 0.458170 0.271204 0.079 Uiso 1 1 calc R . . . .
C04Z C 0.2664(6) 0.1397(11) 0.2074(5) 0.062(4) Uani 1 1 d . U . . .
H1EA H 0.269133 0.148021 0.188655 0.074 Uiso 1 1 calc R . . . .
H1FA H 0.271029 0.095804 0.211418 0.074 Uiso 1 1 calc R . . . .
C050 C 0.5171(6) 0.3708(13) 0.5520(6) 0.075(4) Uani 1 1 d . U . . .
H050 H 0.523278 0.414025 0.549103 0.090 Uiso 1 1 calc R . . . .
C051 C 0.3109(6) 0.4030(12) 0.2771(5) 0.064(4) Uani 1 1 d . U . . .
H05A H 0.298021 0.368617 0.265561 0.076 Uiso 1 1 calc R . . . .
H05B H 0.322249 0.428284 0.265620 0.076 Uiso 1 1 calc R . . . .
C053 C 0.5325(6) 0.3556(13) 0.5799(6) 0.074(4) Uani 1 1 d . U . . .
H05C H 0.523399 0.383920 0.591717 0.089 Uiso 1 1 calc R . . . .
H05D H 0.559210 0.360465 0.584916 0.089 Uiso 1 1 calc R . . . .
C054 C 0.2759(6) -0.0712(11) 0.3245(5) 0.061(4) Uani 1 1 d . U . . .
H05E H 0.294617 -0.038918 0.327584 0.073 Uiso 1 1 calc R . . . .
H05F H 0.283268 -0.104823 0.314189 0.073 Uiso 1 1 calc R . . . .
C055 C 0.1454(6) -0.1152(12) 0.5960(5) 0.065(4) Uani 1 1 d . U . . .
H05G H 0.138737 -0.150061 0.606001 0.079 Uiso 1 1 calc R . . . .
H05H H 0.126319 -0.083680 0.593386 0.079 Uiso 1 1 calc R . . . .
C056 C 0.1532(6) 0.3942(13) 0.2645(5) 0.068(4) Uani 1 1 d . U . . .
C057 C 0.4004(5) 0.0510(11) 0.3719(5) 0.059(3) Uani 1 1 d . U . . .
H05I H 0.418377 0.034885 0.363038 0.070 Uiso 1 1 calc R . . . .
H05J H 0.396133 0.019605 0.384772 0.070 Uiso 1 1 calc R . . . .
C058 C 0.4186(6) -0.0679(10) 0.4647(4) 0.080(4) Uani 1 1 d D U . . .
H058 H 0.444388 -0.054147 0.468633 0.096 Uiso 1 1 calc R . . . .
C05A C 0.0625(5) 0.0819(10) 0.6009(4) 0.074(4) Uani 0.6 1 d D U P A 1
H05K H 0.068987 0.059942 0.619285 0.089 Uiso 0.6 1 calc R . P A 1
C05B C 0.1692(6) 0.4564(12) 0.2758(5) 0.067(4) Uani 1 1 d . U . . .
H05L H 0.195917 0.455444 0.279676 0.081 Uiso 1 1 calc R . . . .
H05M H 0.163820 0.465028 0.293585 0.081 Uiso 1 1 calc R . . . .
C05C C 0.3602(8) -0.1585(12) 0.4485(5) 0.089(5) Uani 1 1 d D U . . .
H05N H 0.372412 -0.195632 0.444585 0.107 Uiso 1 1 calc R . . . .
H05O H 0.334064 -0.167833 0.445122 0.107 Uiso 1 1 calc R . . . .
C05D C 0.5295(7) 0.3302(14) 0.5318(6) 0.081(4) Uani 1 1 d . U . . .
H05P H 0.556066 0.334240 0.535312 0.098 Uiso 1 1 calc R . . . .
H05Q H 0.517214 0.342732 0.512217 0.098 Uiso 1 1 calc R . . . .
C05E C 0.5025(3) 0.0635(7) 0.5969(3) 0.091(4) Uani 1 1 d D U . . .
H05R H 0.522804 0.093283 0.603948 0.109 Uiso 1 1 calc R . . . .
C05F C 0.1442(7) 0.5932(15) 0.3782(7) 0.085(4) Uani 1 1 d . U . . .
H05S H 0.138247 0.617108 0.393299 0.102 Uiso 1 1 calc R . . . .
C05G C 0.3773(5) -0.1387(11) 0.4792(5) 0.086(4) Uani 1 1 d D U . . .
H05T H 0.375666 -0.172972 0.491935 0.103 Uiso 1 1 calc R . . . .
C05H C 0.4770(4) -0.0186(7) 0.5609(3) 0.092(4) Uani 1 1 d D U . . .
H05U H 0.480864 -0.041759 0.544736 0.110 Uiso 1 1 calc R . . . .
C05I C 0.0365(6) 0.1349(11) 0.6015(4) 0.074(4) Uani 0.6 1 d D U P A 1
H05V H 0.014188 0.118969 0.604962 0.089 Uiso 0.6 1 calc R . P A 1
H05W H 0.048388 0.163445 0.616809 0.089 Uiso 0.6 1 calc R . P A 1
C05J C 0.1107(8) 0.5879(16) 0.3543(7) 0.092(5) Uani 1 1 d . U . . .
H05X H 0.091055 0.569672 0.360813 0.110 Uiso 1 1 calc R . . . .
H05Y H 0.102602 0.628875 0.346700 0.110 Uiso 1 1 calc R . . . .
C05L C 0.1690(8) 0.6287(15) 0.3680(7) 0.088(5) Uani 1 1 d . U . . .
H05Z H 0.190920 0.639004 0.383660 0.105 Uiso 1 1 calc R . . . .
H2FA H 0.157246 0.667105 0.359555 0.105 Uiso 1 1 calc R . . . .
C05M C 0.4659(4) 0.0982(6) 0.5877(4) 0.088(5) Uani 1 1 d D U . . .
H05 H 0.466163 0.128328 0.572991 0.105 Uiso 1 1 calc R . . . .
H3FA H 0.462216 0.120348 0.603902 0.105 Uiso 1 1 calc R . . . .
C05N C 0.4765(5) -0.0627(5) 0.5848(4) 0.092(4) Uani 1 1 d D U . . .
H2EA H 0.456801 -0.092896 0.577925 0.111 Uiso 1 1 calc R . . . .
H4FA H 0.499933 -0.084908 0.591154 0.111 Uiso 1 1 calc R . . . .
C05O C 0.0441(6) 0.0370(7) 0.5771(5) 0.074(4) Uani 0.6 1 d D U P A 1
H3EA H 0.061039 0.003301 0.576744 0.089 Uiso 0.6 1 calc R . P A 1
H5FA H 0.022107 0.019533 0.580435 0.089 Uiso 0.6 1 calc R . P A 1
C05P C 0.4405(4) 0.0167(8) 0.5512(2) 0.085(4) Uani 1 1 d D U . . .
H4EA H 0.440933 0.045529 0.536086 0.102 Uiso 1 1 calc R . . . .
H6FA H 0.420243 -0.012241 0.543741 0.102 Uiso 1 1 calc R . . . .
C05S C 0.4170(6) -0.1171(12) 0.4863(6) 0.084(4) Uani 1 1 d D U . . .
H5EA H 0.433119 -0.151661 0.485354 0.100 Uiso 1 1 calc R . . . .
H7FA H 0.425101 -0.100021 0.505532 0.100 Uiso 1 1 calc R . . . .
C05T C 0.5083(4) 0.0282(8) 0.5720(4) 0.092(5) Uani 1 1 d D U . . .
H6EA H 0.531905 0.006735 0.578036 0.110 Uiso 1 1 calc R . . . .
H8FA H 0.508738 0.056995 0.556854 0.110 Uiso 1 1 calc R . . . .
C05V C 0.0337(5) 0.0708(9) 0.5489(4) 0.075(4) Uani 0.6 1 d D U P A 1
H7EA H 0.021511 0.041877 0.533567 0.090 Uiso 0.6 1 calc R . P A 1
C05X C 0.1437(8) 0.5848(16) 0.3222(7) 0.091(5) Uani 1 1 d . U . . .
H8EA H 0.133712 0.625430 0.315565 0.110 Uiso 1 1 calc R . . . .
H9FA H 0.148369 0.562735 0.306382 0.110 Uiso 1 1 calc R . . . .
C060 C 0.0076(4) 0.1238(11) 0.5494(4) 0.075(4) Uani 0.6 1 d D U P A 1
H06A H 0.000764 0.145289 0.531145 0.090 Uiso 0.6 1 calc R . P A 1
H06B H -0.014891 0.107809 0.552607 0.090 Uiso 0.6 1 calc R . P A 1
C061 C 0.4339(4) 0.0071(8) 0.5998(3) 0.090(4) Uani 1 1 d D U . . .
H06C H 0.429786 0.029713 0.615735 0.109 Uiso 1 1 calc R . . . .
H06D H 0.413768 -0.022417 0.592860 0.109 Uiso 1 1 calc R . . . .
O278 O 0.0925(4) 0.2479(9) 0.2322(4) 0.071(3) Uani 1 1 d . U . . .
C7 C 0.0685(5) 0.0955(10) 0.5438(4) 0.075(4) Uani 0.6 1 d D U P A 1
H7A H 0.062377 0.116546 0.525443 0.090 Uiso 0.6 1 calc R . P A 1
H7B H 0.085207 0.061446 0.543424 0.090 Uiso 0.6 1 calc R . P A 1
C123 C 0.0611(3) 0.2919(7) 0.3363(3) 0.054(3) Uani 1 1 d D U . . .
C28 C 0.0975(4) 0.1073(10) 0.5959(4) 0.074(4) Uani 0.6 1 d D U P A 1
H28A H 0.109642 0.135932 0.611149 0.089 Uiso 0.6 1 calc R . P A 1
H28B H 0.114604 0.073566 0.595951 0.089 Uiso 0.6 1 calc R . P A 1
C29 C 0.0613(5) 0.1938(7) 0.5678(5) 0.074(4) Uani 0.6 1 d D U P A 1
H29A H 0.073366 0.222932 0.582845 0.089 Uiso 0.6 1 calc R . P A 1
H29B H 0.054914 0.215603 0.549664 0.089 Uiso 0.6 1 calc R . P A 1
C56 C 0.0266(5) 0.1684(9) 0.5731(5) 0.075(4) Uani 0.6 1 d D U P A 1
H56 H 0.009705 0.202784 0.573425 0.091 Uiso 0.6 1 calc R . P A 1
C21 C 0.4705(4) -0.0267(7) 0.6094(3) 0.096(4) Uani 1 1 d D U . . .
H21 H 0.470098 -0.055721 0.624787 0.115 Uiso 1 1 calc R . . . .
C35 C 0.0962(6) 0.0721(9) 0.5728(7) 0.092(7) Uani 0.4 1 d D U P A 2
H35A H 0.099667 0.053288 0.555748 0.111 Uiso 0.4 1 calc R . P A 2
H35B H 0.119081 0.067378 0.588281 0.111 Uiso 0.4 1 calc R . P A 2
C30 C 0.0650(9) 0.0397(9) 0.5805(8) 0.093(7) Uani 0.4 1 d D U P A 2
H30 H 0.070680 -0.004593 0.583730 0.111 Uiso 0.4 1 calc R . P A 2
C33 C 0.0518(6) 0.1485(14) 0.5431(4) 0.092(7) Uani 0.4 1 d D U P A 2
H33A H 0.054566 0.130652 0.525688 0.111 Uiso 0.4 1 calc R . P A 2
H33B H 0.046114 0.192339 0.539827 0.111 Uiso 0.4 1 calc R . P A 2
C39 C 0.0605(9) 0.0690(18) 0.6072(6) 0.093(7) Uani 0.4 1 d D U P A 2
H39A H 0.083258 0.064095 0.622774 0.112 Uiso 0.4 1 calc R . P A 2
H39B H 0.040687 0.048256 0.612493 0.112 Uiso 0.4 1 calc R . P A 2
C44 C 0.0293(8) 0.0479(14) 0.5561(8) 0.093(7) Uani 0.4 1 d D U P A 2
H44A H 0.031934 0.029163 0.538833 0.111 Uiso 0.4 1 calc R . P A 2
H44B H 0.009043 0.027107 0.560896 0.111 Uiso 0.4 1 calc R . P A 2
C78 C 0.0515(8) 0.1372(17) 0.6021(5) 0.093(7) Uani 0.4 1 d D U P A 2
H78 H 0.048643 0.155754 0.619658 0.111 Uiso 0.4 1 calc R . P A 2
C83 C 0.0824(7) 0.1695(12) 0.5943(5) 0.092(7) Uani 0.4 1 d D U P A 2
H83A H 0.105310 0.165828 0.609901 0.111 Uiso 0.4 1 calc R . P A 2
H83B H 0.076675 0.213342 0.591051 0.111 Uiso 0.4 1 calc R . P A 2
C89 C 0.0161(6) 0.1461(18) 0.5780(8) 0.093(7) Uani 0.4 1 d D U P A 2
H89A H 0.010940 0.190028 0.574761 0.111 Uiso 0.4 1 calc R . P A 2
H89B H -0.004477 0.127137 0.583004 0.111 Uiso 0.4 1 calc R . P A 2
C128 C 0.0205(4) 0.1160(16) 0.5512(6) 0.093(7) Uani 0.4 1 d D U P A 2
H128 H -0.002598 0.120784 0.535551 0.111 Uiso 0.4 1 calc R . P A 2
Ag1 Ag 0.19043(4) 0.15260(8) 0.29384(3) 0.0543(4) Uani 1 1 d . U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag01 Ag0V 2.927(3) . ?
Ag01 S00Y 2.612(4) . ?
Ag01 S013 2.489(4) 7_556 ?
Ag01 S017 2.507(5) . ?
Ag02 Ag09 3.342(2) 7_556 ?
Ag02 Ag0C 3.127(2) . ?
Ag02 Ag0R 3.142(2) . ?
Ag02 Ag0V 3.200(3) . ?
Ag02 S015 2.400(5) . ?
Ag02 S017 2.427(5) . ?
Ag03 Ag0D 3.221(2) . ?
Ag03 Ag0S 2.840(3) 7_556 ?
Ag03 S00Z 2.455(5) 7_556 ?
Ag03 S012 2.429(5) . ?
Ag04 Ag05 3.162(2) . ?
Ag04 Ag0R 3.146(3) . ?
Ag04 Ag0T 3.242(3) . ?
Ag04 S00X 2.405(4) . ?
Ag04 S011 2.422(4) . ?
Ag05 Ag0S 2.936(3) . ?
Ag05 Ag0T 3.080(2) . ?
Ag05 S00X 2.429(5) . ?
Ag05 S018 2.433(5) . ?
Ag06 Ag0D 3.365(2) 7_556 ?
Ag06 Ag0U 2.878(2) . ?
Ag06 S00W 2.500(5) . ?
Ag06 S00X 2.642(5) . ?
Ag06 S012 2.527(5) 7_556 ?
Ag07 Ag0F 3.279(2) . ?
Ag07 Ag0T 2.899(3) . ?
Ag07 S011 2.502(4) . ?
Ag07 S015 2.633(4) . ?
Ag07 S016 2.453(5) . ?
Ag08 Br0P 2.940(3) 7_556 ?
Ag08 Ag0U 2.970(3) . ?
Ag08 S00Y 2.430(5) . ?
Ag08 S010 2.459(4) 7_556 ?
Ag09 Br0Q 2.932(3) 7_556 ?
Ag09 Ag0V 3.043(3) 7_556 ?
Ag09 S00Z 2.442(4) . ?
Ag09 S015 2.449(5) 7_556 ?
Ag0A Ag0E 3.231(2) . ?
Ag0A Br0P 2.921(2) . ?
Ag0A Ag0S 3.023(3) . ?
Ag0A S013 2.415(5) . ?
Ag0A S018 2.442(5) . ?
Ag0B Ag0R 3.086(2) . ?
Ag0B S00W 2.403(5) . ?
Ag0B S014 2.400(5) . ?
Ag0B Ag1 3.111(2) . ?
Ag0C Ag0R 2.929(3) . ?
Ag0C S011 2.409(5) . ?
Ag0C S019 2.439(5) . ?
Ag0C Ag1 2.896(2) . ?
Ag0D Ag0U 3.057(3) 7_556 ?
Ag0D S010 2.402(5) . ?
Ag0D S012 2.409(5) . ?
Ag0E Ag0S 3.180(3) . ?
Ag0E Ag0V 3.021(2) 7_556 ?
Ag0E S00Z 2.404(5) . ?
Ag0E S013 2.413(5) . ?
Ag0F Ag0I 3.343(2) . ?
Ag0F Ag0T 3.084(3) . ?
Ag0F S016 2.422(5) . ?
Ag0F S018 2.413(5) . ?
Ag0G Ag0N 2.899(3) . ?
Ag0G Ag0O 3.134(3) . ?
Ag0G Ag0R 3.140(3) . ?
Ag0G S017 2.376(5) . ?
Ag0G S01A 2.372(5) . ?
Ag0I Br0Q 2.942(3) . ?
Ag0I S010 2.423(5) . ?
Ag0I S016 2.418(5) . ?
Ag0J Ag0L 3.342(2) . ?
Ag0J Ag0R 2.572(3) . ?
Ag0J Ag0T 2.638(3) . ?
Ag0J Ag0U 2.659(3) . ?
Ag0J Ag0V 2.655(3) . ?
Ag0K Ag0L 2.787(2) . ?
Ag0K Ag0L 2.760(2) 7_556 ?
Ag0K Ag0M 2.782(3) . ?
Ag0K Ag0M 2.763(3) 7_556 ?
Ag0K Br0Q 2.597(3) . ?
Ag0K Ag0T 2.671(3) . ?
Ag0K Ag0V 3.288(3) . ?
Ag0L Ag0M 2.781(3) . ?
Ag0L Ag0M 2.742(3) 7_556 ?
Ag0L Ag0S 2.633(3) . ?
Ag0L Ag0T 3.194(3) . ?
Ag0L Ag0U 2.621(3) . ?
Ag0M Br0P 2.619(3) 7_556 ?
Ag0M Ag0S 3.376(3) 7_556 ?
Ag0M Ag0V 2.627(3) . ?
Ag0N S019 2.427(6) . ?
Ag0N S01A 2.394(6) . ?
Ag0N O020 2.550(18) . ?
Ag0N O278 2.317(16) . ?
Ag0N Ag1 2.816(2) . ?
Ag0O Ag0R 3.165(3) . ?
Ag0O S00W 2.432(4) . ?
Ag0O S00Y 2.415(4) . ?
S00W C01S 1.83(2) . ?
S00X C01Q 1.840(18) . ?
S00Y C02A 1.84(3) . ?
S00Z C01U 1.82(2) . ?
S010 C01T 1.85(2) . ?
S011 C01M 1.80(2) . ?
S012 C02I 1.817(12) . ?
S013 C02Y 1.853(11) . ?
S014 C01X 1.85(2) . ?
S014 Ag1 2.349(5) . ?
S015 C02H 1.869(19) . ?
S016 C01N 1.81(2) . ?
S017 C123 1.821(9) . ?
S018 C02N 1.82(2) . ?
S019 C01O 1.858(19) . ?
S019 Ag1 2.425(4) . ?
S01A C056 1.82(3) . ?
N01J O020 1.19(2) . ?
N01J O025 1.25(2) . ?
N01J O278 1.25(2) . ?
C01M C02B 1.60(3) . ?
C01M C02E 1.49(3) . ?
C01M C032 1.54(3) . ?
C01N C02C 1.55(3) . ?
C01N C02T 1.51(3) . ?
C01N C03A 1.54(3) . ?
C01O C028 1.51(2) . ?
C01O C02F 1.54(2) . ?
C01O C03O 1.51(3) . ?
C01P C01X 1.51(3) . ?
C01P C01Z 1.51(3) . ?
C01Q C02V 1.52(3) . ?
C01Q C037 1.56(3) . ?
C01Q C039 1.51(3) . ?
C01S C02J 1.56(3) . ?
C01S C02U 1.57(3) . ?
C01S C033 1.51(3) . ?
C01T C023 1.50(3) . ?
C01T C02L 1.48(3) . ?
C01T C03D 1.44(3) . ?
C01U C02R 1.55(3) . ?
C01U C02Z 1.49(3) . ?
C01U C04N 1.56(3) . ?
C01V C02H 1.46(3) . ?
C01V C03R 1.57(3) . ?
C01X C02M 1.51(3) . ?
C01X C046 1.51(3) . ?
C01Y C02D 1.45(3) . ?
C01Y C02W 1.55(2) . ?
C01Y C03O 1.54(3) . ?
C01Z C034 1.53(3) . ?
C01Z C03B 1.60(3) . ?
C021 C026 1.57(2) . ?
C021 C02K 1.55(3) . ?
C021 C02X 1.54(3) . ?
C022 C024 1.58(3) . ?
C022 C028 1.50(3) . ?
C022 C02D 1.60(3) . ?
C023 C03K 1.54(3) . ?
C024 C029 1.58(3) . ?
C026 C123 1.531(10) . ?
C027 C031 1.47(3) . ?
C027 C123 1.538(10) . ?
C029 C02F 1.49(3) . ?
C029 C02W 1.52(3) . ?
C02A C03P 1.50(3) . ?
C02A C03W 1.50(4) . ?
C02A C04E 1.52(3) . ?
C02B C02O 1.58(3) . ?
C02C C03I 1.55(3) . ?
C02E C04F 1.56(3) . ?
C02G C02H 1.53(3) . ?
C02G C03J 1.53(3) . ?
C02H C038 1.52(3) . ?
C02I C7 1.543(8) . ?
C02I C28 1.542(8) . ?
C02I C29 1.547(8) . ?
C02I C35 1.545(8) . ?
C02I C33 1.547(8) . ?
C02I C83 1.549(8) . ?
C02J C03C 1.54(3) . ?
C02K C031 1.49(3) . ?
C02L C04B 1.49(3) . ?
C02M C03G 1.51(3) . ?
C02N C03Z 1.539(10) . ?
C02N C04A 1.542(10) . ?
C02N C04K 1.534(10) . ?
C02O C04J 1.59(3) . ?
C02O C054 1.51(3) . ?
C02P C036 1.52(3) . ?
C02P C039 1.54(2) . ?
C02P C057 1.47(3) . ?
C02Q C035 1.48(3) . ?
C02Q C123 1.531(10) . ?
C02R C03T 1.50(3) . ?
C02S C03C 1.51(3) . ?
C02S C03M 1.49(3) . ?
C02T C047 1.50(3) . ?
C02U C04Y 1.57(3) . ?
C02V C04W 1.55(2) . ?
C02X C035 1.53(3) . ?
C02Y C05M 1.552(8) . ?
C02Y C05P 1.537(8) . ?
C02Y C061 1.541(8) . ?
C02Z C044 1.48(3) . ?
C031 C03L 1.47(3) . ?
C032 C03H 1.64(3) . ?
C033 C03M 1.59(3) . ?
C034 C03G 1.51(3) . ?
C035 C03L 1.55(3) . ?
C036 C049 1.48(3) . ?
C037 C049 1.51(3) . ?
C038 C03Q 1.64(3) . ?
C03A C04C 1.57(3) . ?
C03B C03N 1.54(3) . ?
C03C C051 1.52(3) . ?
C03D C04T 1.58(3) . ?
C03E C03H 1.59(3) . ?
C03E C04F 1.54(3) . ?
C03G C04Z 1.61(3) . ?
C03H C04J 1.45(3) . ?
C03I C048 1.49(3) . ?
C03I C04M 1.58(3) . ?
C03J C03S 1.55(3) . ?
C03J C03U 1.46(3) . ?
C03K C03V 1.59(3) . ?
C03K C040 1.57(3) . ?
C03M C043 1.55(3) . ?
C03N C046 1.60(3) . ?
C03N C04Z 1.44(3) . ?
C03P C04I 1.61(4) . ?
C03Q C03S 1.38(3) . ?
C03Q C041 1.56(3) . ?
C03R C03U 1.47(3) . ?
C03R C041 1.51(3) . ?
C03T C042 1.52(3) . ?
C03T C053 1.60(4) . ?
C03V C04B 1.57(3) . ?
C03W C05F 1.60(4) . ?
C03X C04K 1.536(10) . ?
C03X C04P 1.537(10) . ?
C03X C05C 1.536(10) . ?
C03Y C049 1.50(3) . ?
C03Y C04W 1.50(3) . ?
C03Z C05G 1.535(10) . ?
C040 C04T 1.53(3) . ?
C042 C044 1.55(3) . ?
C043 C04Y 1.58(3) . ?
C044 C05D 1.68(4) . ?
C047 C048 1.59(3) . ?
C047 C04G 1.58(3) . ?
C04A C058 1.538(10) . ?
C04B C055 1.50(3) . ?
C04C C04G 1.54(3) . ?
C04C C04M 1.39(4) . ?
C04D C04H 1.58(4) . ?
C04D C04O 1.57(4) . ?
C04D C04R 1.50(4) . ?
C04E C04L 1.63(4) . ?
C04F C054 1.57(3) . ?
C04H C04S 1.58(3) . ?
C04I C05J 1.44(4) . ?
C04I C05X 1.48(4) . ?
C04L C05L 1.49(4) . ?
C04L C05X 1.54(4) . ?
C04N C050 1.60(3) . ?
C04O C056 1.52(3) . ?
C04P C058 1.540(10) . ?
C04Q C04R 1.53(3) . ?
C04Q C04U 1.62(4) . ?
C04Q C04X 1.49(4) . ?
C04S C04X 1.52(4) . ?
C04S C05B 1.56(3) . ?
C04T C055 1.54(3) . ?
C04U C056 1.57(4) . ?
C04V C05E 1.539(8) . ?
C04V C21 1.549(8) . ?
C04W C057 1.60(3) . ?
C04Y C051 1.52(3) . ?
C050 C053 1.38(3) . ?
C050 C05D 1.52(4) . ?
C056 C05B 1.53(4) . ?
C058 C05S 1.542(10) . ?
C05A C05I 1.543(8) . ?
C05A C05O 1.543(8) . ?
C05A C28 1.546(8) . ?
C05C C05G 1.538(10) . ?
C05E C05M 1.545(8) . ?
C05E C05T 1.535(8) . ?
C05F C05J 1.48(4) . ?
C05F C05L 1.44(4) . ?
C05G C05S 1.538(10) . ?
C05H C05N 1.544(8) . ?
C05H C05P 1.550(8) . ?
C05H C05T 1.554(8) . ?
C05I C56 1.541(8) . ?
C05N C21 1.537(8) . ?
C05O C05V 1.535(8) . ?
C05V C060 1.545(8) . ?
C05V C7 1.537(8) . ?
C060 C56 1.542(8) . ?
C061 C21 1.538(8) . ?
C29 C56 1.542(8) . ?
C35 C30 1.540(9) . ?
C30 C39 1.536(9) . ?
C30 C44 1.550(8) . ?
C33 C128 1.551(8) . ?
C39 C78 1.543(8) . ?
C44 C128 1.538(8) . ?
C78 C83 1.535(8) . ?
C78 C89 1.538(9) . ?
C89 C128 1.550(8) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
S00Y Ag01 Ag0V 103.21(11) . . ?
S013 Ag01 Ag0V 90.64(12) 7_556 . ?
S013 Ag01 S00Y 118.43(16) 7_556 . ?
S013 Ag01 S017 141.00(15) 7_556 . ?
S017 Ag01 Ag0V 90.34(12) . . ?
S017 Ag01 S00Y 99.21(15) . . ?
Ag0C Ag02 Ag09 122.17(6) . 7_556 ?
Ag0C Ag02 Ag0R 55.71(5) . . ?
Ag0C Ag02 Ag0V 130.82(6) . . ?
Ag0R Ag02 Ag09 130.88(6) . 7_556 ?
Ag0R Ag02 Ag0V 88.33(6) . . ?
Ag0V Ag02 Ag09 55.39(5) . 7_556 ?
S015 Ag02 Ag09 47.04(11) . 7_556 ?
S015 Ag02 Ag0C 75.77(12) . . ?
S015 Ag02 Ag0R 111.14(11) . . ?
S015 Ag02 Ag0V 90.48(12) . . ?
S015 Ag02 S017 162.93(15) . . ?
S017 Ag02 Ag09 118.85(12) . 7_556 ?
S017 Ag02 Ag0C 118.97(12) . . ?
S017 Ag02 Ag0R 85.38(11) . . ?
S017 Ag02 Ag0V 85.61(12) . . ?
Ag0S Ag03 Ag0D 110.04(6) 7_556 . ?
S00Z Ag03 Ag0D 139.06(12) 7_556 . ?
S00Z Ag03 Ag0S 91.58(13) 7_556 7_556 ?
S012 Ag03 Ag0D 48.01(12) . . ?
S012 Ag03 Ag0S 102.49(13) . 7_556 ?
S012 Ag03 S00Z 160.16(15) . 7_556 ?
Ag05 Ag04 Ag0T 57.49(5) . . ?
Ag0R Ag04 Ag05 128.58(7) . . ?
Ag0R Ag04 Ag0T 88.26(6) . . ?
S00X Ag04 Ag05 49.48(12) . . ?
S00X Ag04 Ag0R 104.57(12) . . ?
S00X Ag04 Ag0T 94.26(12) . . ?
S00X Ag04 S011 164.67(17) . . ?
S011 Ag04 Ag05 117.84(12) . . ?
S011 Ag04 Ag0R 90.33(12) . . ?
S011 Ag04 Ag0T 82.43(12) . . ?
Ag0S Ag05 Ag04 133.95(7) . . ?
Ag0S Ag05 Ag0T 87.46(7) . . ?
Ag0T Ag05 Ag04 62.57(6) . . ?
S00X Ag05 Ag04 48.83(10) . . ?
S00X Ag05 Ag0S 109.04(13) . . ?
S00X Ag05 Ag0T 97.95(11) . . ?
S00X Ag05 S018 163.24(17) . . ?
S018 Ag05 Ag04 124.09(12) . . ?
S018 Ag05 Ag0S 86.41(13) . . ?
S018 Ag05 Ag0T 88.94(12) . . ?
Ag0U Ag06 Ag0D 57.99(6) . 7_556 ?
S00W Ag06 Ag0D 115.52(12) . 7_556 ?
S00W Ag06 Ag0U 95.24(11) . . ?
S00W Ag06 S00X 101.13(15) . . ?
S00W Ag06 S012 148.86(16) . 7_556 ?
S00X Ag06 Ag0D 136.34(12) . 7_556 ?
S00X Ag06 Ag0U 97.50(11) . . ?
S012 Ag06 Ag0D 45.58(11) 7_556 7_556 ?
S012 Ag06 Ag0U 91.51(12) 7_556 . ?
S012 Ag06 S00X 108.08(15) 7_556 . ?
Ag0T Ag07 Ag0F 59.50(6) . . ?
S011 Ag07 Ag0F 109.84(11) . . ?
S011 Ag07 Ag0T 88.61(12) . . ?
S011 Ag07 S015 94.83(15) . . ?
S015 Ag07 Ag0F 142.94(11) . . ?
S015 Ag07 Ag0T 95.21(12) . . ?
S016 Ag07 Ag0F 47.33(11) . . ?
S016 Ag07 Ag0T 97.43(13) . . ?
S016 Ag07 S011 143.24(16) . . ?
S016 Ag07 S015 120.44(15) . . ?
Br0P Ag08 Ag0U 89.96(7) 7_556 . ?
S00Y Ag08 Br0P 110.11(12) . 7_556 ?
S00Y Ag08 Ag0U 96.73(13) . . ?
S00Y Ag08 S010 157.92(17) . 7_556 ?
S010 Ag08 Br0P 88.74(12) 7_556 7_556 ?
S010 Ag08 Ag0U 94.62(13) 7_556 . ?
Br0Q Ag09 Ag02 133.49(6) 7_556 7_556 ?
Br0Q Ag09 Ag0V 91.96(7) 7_556 7_556 ?
Ag0V Ag09 Ag02 59.94(6) 7_556 7_556 ?
S00Z Ag09 Ag02 126.66(13) . 7_556 ?
S00Z Ag09 Br0Q 87.48(12) . 7_556 ?
S00Z Ag09 Ag0V 92.69(13) . 7_556 ?
S00Z Ag09 S015 163.25(15) . 7_556 ?
S015 Ag09 Ag02 45.83(12) 7_556 7_556 ?
S015 Ag09 Br0Q 107.90(12) 7_556 7_556 ?
S015 Ag09 Ag0V 93.36(12) 7_556 7_556 ?
Br0P Ag0A Ag0E 109.64(7) . . ?
Br0P Ag0A Ag0S 94.70(7) . . ?
Ag0S Ag0A Ag0E 61.03(6) . . ?
S013 Ag0A Ag0E 47.97(12) . . ?
S013 Ag0A Br0P 100.77(11) . . ?
S013 Ag0A Ag0S 108.55(13) . . ?
S013 Ag0A S018 161.70(16) . . ?
S018 Ag0A Ag0E 140.32(13) . . ?
S018 Ag0A Br0P 90.76(12) . . ?
S018 Ag0A Ag0S 84.34(13) . . ?
Ag0R Ag0B Ag1 68.16(6) . . ?
S00W Ag0B Ag0R 83.14(11) . . ?
S00W Ag0B Ag1 143.69(11) . . ?
S014 Ag0B Ag0R 110.75(13) . . ?
S014 Ag0B S00W 166.09(16) . . ?
S014 Ag0B Ag1 48.37(11) . . ?
Ag0R Ag0C Ag02 62.41(5) . . ?
S011 Ag0C Ag02 110.80(12) . . ?
S011 Ag0C Ag0R 95.96(12) . . ?
S011 Ag0C S019 158.23(17) . . ?
S011 Ag0C Ag1 109.49(11) . . ?
S019 Ag0C Ag02 90.74(12) . . ?
S019 Ag0C Ag0R 91.21(14) . . ?
S019 Ag0C Ag1 53.24(11) . . ?
Ag1 Ag0C Ag02 121.70(7) . . ?
Ag1 Ag0C Ag0R 73.18(6) . . ?
Ag03 Ag0D Ag06 85.57(5) . 7_556 ?
Ag0U Ag0D Ag03 92.03(7) 7_556 . ?
Ag0U Ag0D Ag06 52.99(5) 7_556 7_556 ?
S010 Ag0D Ag03 140.41(13) . . ?
S010 Ag0D Ag06 127.90(12) . 7_556 ?
S010 Ag0D Ag0U 93.63(12) . 7_556 ?
S010 Ag0D S012 170.18(17) . . ?
S012 Ag0D Ag03 48.52(12) . . ?
S012 Ag0D Ag06 48.51(11) . 7_556 ?
S012 Ag0D Ag0U 89.63(12) . 7_556 ?
Ag0S Ag0E Ag0A 56.25(5) . . ?
Ag0V Ag0E Ag0A 92.78(6) 7_556 . ?
Ag0V Ag0E Ag0S 86.45(7) 7_556 . ?
S00Z Ag0E Ag0A 139.75(13) . . ?
S00Z Ag0E Ag0S 84.65(12) . . ?
S00Z Ag0E Ag0V 94.00(11) . 7_556 ?
S00Z Ag0E S013 170.86(16) . . ?
S013 Ag0E Ag0A 48.03(11) . . ?
S013 Ag0E Ag0S 103.85(12) . . ?
S013 Ag0E Ag0V 89.92(11) . 7_556 ?
Ag07 Ag0F Ag0I 82.56(5) . . ?
Ag0T Ag0F Ag07 54.10(5) . . ?
Ag0T Ag0F Ag0I 96.29(6) . . ?
S016 Ag0F Ag07 48.14(12) . . ?
S016 Ag0F Ag0I 46.26(11) . . ?
S016 Ag0F Ag0T 93.41(12) . . ?
S018 Ag0F Ag07 127.47(13) . . ?
S018 Ag0F Ag0I 144.05(13) . . ?
S018 Ag0F Ag0T 89.25(12) . . ?
S018 Ag0F S016 168.93(17) . . ?
Ag0N Ag0G Ag0O 116.20(6) . . ?
Ag0N Ag0G Ag0R 87.35(7) . . ?
Ag0O Ag0G Ag0R 60.60(6) . . ?
S017 Ag0G Ag0N 123.42(13) . . ?
S017 Ag0G Ag0O 108.79(13) . . ?
S017 Ag0G Ag0R 86.30(12) . . ?
S01A Ag0G Ag0N 52.89(15) . . ?
S01A Ag0G Ag0O 74.02(14) . . ?
S01A Ag0G Ag0R 93.19(14) . . ?
S01A Ag0G S017 176.3(2) . . ?
Br0Q Ag0I Ag0F 102.09(7) . . ?
S010 Ag0I Ag0F 138.16(12) . . ?
S010 Ag0I Br0Q 89.23(13) . . ?
S016 Ag0I Ag0F 46.36(12) . . ?
S016 Ag0I Br0Q 99.13(13) . . ?
S016 Ag0I S010 169.43(18) . . ?
Ag0R Ag0J Ag0L 151.29(8) . . ?
Ag0R Ag0J Ag0T 117.25(10) . . ?
Ag0R Ag0J Ag0U 108.70(9) . . ?
Ag0R Ag0J Ag0V 115.40(9) . . ?
Ag0T Ag0J Ag0L 63.28(7) . . ?
Ag0T Ag0J Ag0U 107.07(9) . . ?
Ag0T Ag0J Ag0V 102.80(9) . . ?
Ag0U Ag0J Ag0L 50.22(7) . . ?
Ag0V Ag0J Ag0L 90.99(7) . . ?
Ag0V Ag0J Ag0U 104.62(9) . . ?
Ag0L Ag0K Ag0L 89.56(7) 7_556 . ?
Ag0L Ag0K Ag0M 60.47(7) 7_556 7_556 ?
Ag0L Ag0K Ag0M 59.31(7) 7_556 . ?
Ag0L Ag0K Ag0V 89.86(8) . . ?
Ag0L Ag0K Ag0V 96.91(8) 7_556 . ?
Ag0M Ag0K Ag0L 59.93(7) . . ?
Ag0M Ag0K Ag0L 59.22(7) 7_556 . ?
Ag0M Ag0K Ag0M 89.51(7) 7_556 . ?
Ag0M Ag0K Ag0V 50.45(6) . . ?
Ag0M Ag0K Ag0V 139.36(9) 7_556 . ?
Br0Q Ag0K Ag0L 89.08(8) . 7_556 ?
Br0Q Ag0K Ag0L 176.91(11) . . ?
Br0Q Ag0K Ag0M 117.72(10) . 7_556 ?
Br0Q Ag0K Ag0M 121.50(9) . . ?
Br0Q Ag0K Ag0T 109.53(9) . . ?
Br0Q Ag0K Ag0V 93.07(8) . . ?
Ag0T Ag0K Ag0L 160.73(8) . 7_556 ?
Ag0T Ag0K Ag0L 71.59(7) . . ?
Ag0T Ag0K Ag0M 111.64(9) . . ?
Ag0T Ag0K Ag0M 104.67(8) . 7_556 ?
Ag0T Ag0K Ag0V 87.29(8) . . ?
Ag0K Ag0L Ag0J 131.03(8) 7_556 . ?
Ag0K Ag0L Ag0J 71.18(6) . . ?
Ag0K Ag0L Ag0K 90.44(6) 7_556 . ?
Ag0K Ag0L Ag0M 59.82(6) 7_556 . ?
Ag0K Ag0L Ag0T 142.77(8) 7_556 . ?
Ag0K Ag0L Ag0T 52.52(6) . . ?
Ag0M Ag0L Ag0J 71.92(6) . . ?
Ag0M Ag0L Ag0J 130.37(8) 7_556 . ?
Ag0M Ag0L Ag0K 59.94(7) . . ?
Ag0M Ag0L Ag0K 60.73(7) 7_556 7_556 ?
Ag0M Ag0L Ag0K 59.95(7) 7_556 . ?
Ag0M Ag0L Ag0M 89.94(7) 7_556 . ?
Ag0M Ag0L Ag0T 92.57(8) 7_556 . ?
Ag0M Ag0L Ag0T 97.83(7) . . ?
Ag0S Ag0L Ag0J 122.10(8) . . ?
Ag0S Ag0L Ag0K 118.24(10) . . ?
Ag0S Ag0L Ag0K 106.69(9) . 7_556 ?
Ag0S Ag0L Ag0M 77.78(8) . 7_556 ?
Ag0S Ag0L Ag0M 165.44(10) . . ?
Ag0S Ag0L Ag0T 90.60(8) . . ?
Ag0T Ag0L Ag0J 47.54(6) . . ?
Ag0U Ag0L Ag0J 51.23(7) . . ?
Ag0U Ag0L Ag0K 109.70(10) . 7_556 ?
Ag0U Ag0L Ag0K 118.23(9) . . ?
Ag0U Ag0L Ag0M 80.76(8) . . ?
Ag0U Ag0L Ag0M 169.42(10) . 7_556 ?
Ag0U Ag0L Ag0S 110.65(8) . . ?
Ag0U Ag0L Ag0T 93.69(8) . . ?
Ag0K Ag0M Ag0K 90.49(7) 7_556 . ?
Ag0K Ag0M Ag0L 59.71(6) 7_556 . ?
Ag0K Ag0M Ag0S 88.75(8) . 7_556 ?
Ag0K Ag0M Ag0S 98.06(8) 7_556 7_556 ?
Ag0L Ag0M Ag0K 60.83(6) 7_556 7_556 ?
Ag0L Ag0M Ag0K 60.13(6) . . ?
Ag0L Ag0M Ag0K 59.95(7) 7_556 . ?
Ag0L Ag0M Ag0L 90.05(7) 7_556 . ?
Ag0L Ag0M Ag0S 139.08(9) . 7_556 ?
Ag0L Ag0M Ag0S 49.66(6) 7_556 7_556 ?
Br0P Ag0M Ag0K 81.83(8) 7_556 7_556 ?
Br0P Ag0M Ag0K 172.30(10) 7_556 . ?
Br0P Ag0M Ag0L 115.90(9) 7_556 7_556 ?
Br0P Ag0M Ag0L 114.79(9) 7_556 . ?
Br0P Ag0M Ag0S 92.81(8) 7_556 7_556 ?
Br0P Ag0M Ag0V 112.72(9) 7_556 . ?
Ag0V Ag0M Ag0K 74.81(8) . . ?
Ag0V Ag0M Ag0K 163.51(10) . 7_556 ?
Ag0V Ag0M Ag0L 105.47(9) . . ?
Ag0V Ag0M Ag0L 115.46(10) . 7_556 ?
Ag0V Ag0M Ag0S 89.22(8) . 7_556 ?
S019 Ag0N Ag0G 92.90(14) . . ?
S019 Ag0N O020 116.1(5) . . ?
S019 Ag0N Ag1 54.49(11) . . ?
S01A Ag0N Ag0G 52.19(13) . . ?
S01A Ag0N S019 135.02(19) . . ?
S01A Ag0N O020 102.2(4) . . ?
S01A Ag0N Ag1 102.57(14) . . ?
O020 Ag0N Ag0G 151.0(4) . . ?
O020 Ag0N Ag1 93.8(4) . . ?
O278 Ag0N Ag0G 125.6(4) . . ?
O278 Ag0N S019 102.2(5) . . ?
O278 Ag0N S01A 120.7(5) . . ?
O278 Ag0N O020 50.8(5) . . ?
O278 Ag0N Ag1 127.0(5) . . ?
Ag1 Ag0N Ag0G 104.29(8) . . ?
Ag0G Ag0O Ag0R 59.79(6) . . ?
S00W Ag0O Ag0G 122.09(13) . . ?
S00W Ag0O Ag0R 81.00(12) . . ?
S00Y Ag0O Ag0G 81.46(12) . . ?
S00Y Ag0O Ag0R 106.98(13) . . ?
S00Y Ag0O S00W 154.70(19) . . ?
Ag0A Br0P Ag08 126.35(8) . 7_556 ?
Ag0M Br0P Ag08 97.25(8) 7_556 7_556 ?
Ag0M Br0P Ag0A 87.21(8) 7_556 . ?
Ag09 Br0Q Ag0I 127.41(9) 7_556 . ?
Ag0K Br0Q Ag09 91.57(8) . 7_556 ?
Ag0K Br0Q Ag0I 99.44(8) . . ?
Ag02 Ag0R Ag04 110.14(8) . . ?
Ag02 Ag0R Ag0O 115.13(7) . . ?
Ag04 Ag0R Ag0O 123.69(8) . . ?
Ag0B Ag0R Ag02 161.50(9) . . ?
Ag0B Ag0R Ag04 71.17(6) . . ?
Ag0B Ag0R Ag0G 100.36(8) . . ?
Ag0B Ag0R Ag0O 75.93(6) . . ?
Ag0C Ag0R Ag02 61.88(5) . . ?
Ag0C Ag0R Ag04 72.64(6) . . ?
Ag0C Ag0R Ag0B 102.49(8) . . ?
Ag0C Ag0R Ag0G 102.15(7) . . ?
Ag0C Ag0R Ag0O 160.37(10) . . ?
Ag0G Ag0R Ag02 75.22(6) . . ?
Ag0G Ag0R Ag04 168.25(9) . . ?
Ag0G Ag0R Ag0O 59.61(7) . . ?
Ag0J Ag0R Ag02 73.39(7) . . ?
Ag0J Ag0R Ag04 74.43(7) . . ?
Ag0J Ag0R Ag0B 123.38(8) . . ?
Ag0J Ag0R Ag0C 108.35(9) . . ?
Ag0J Ag0R Ag0G 117.32(9) . . ?
Ag0J Ag0R Ag0O 87.98(9) . . ?
Ag03 Ag0S Ag05 123.01(9) 7_556 . ?
Ag03 Ag0S Ag0A 138.53(9) 7_556 . ?
Ag03 Ag0S Ag0E 78.86(6) 7_556 . ?
Ag03 Ag0S Ag0M 116.28(8) 7_556 7_556 ?
Ag05 Ag0S Ag0A 82.16(7) . . ?
Ag05 Ag0S Ag0E 138.23(9) . . ?
Ag05 Ag0S Ag0M 112.69(8) . 7_556 ?
Ag0A Ag0S Ag0E 62.71(6) . . ?
Ag0A Ag0S Ag0M 73.24(6) . 7_556 ?
Ag0E Ag0S Ag0M 79.58(6) . 7_556 ?
Ag0L Ag0S Ag03 95.22(9) . 7_556 ?
Ag0L Ag0S Ag05 92.14(8) . . ?
Ag0L Ag0S Ag0A 118.04(9) . . ?
Ag0L Ag0S Ag0E 123.25(9) . . ?
Ag0L Ag0S Ag0M 52.56(6) . 7_556 ?
Ag05 Ag0T Ag04 59.94(5) . . ?
Ag05 Ag0T Ag0F 75.48(6) . . ?
Ag05 Ag0T Ag0L 79.56(6) . . ?
Ag07 Ag0T Ag04 80.64(7) . . ?
Ag07 Ag0T Ag05 114.88(8) . . ?
Ag07 Ag0T Ag0F 66.40(6) . . ?
Ag07 Ag0T Ag0L 165.08(9) . . ?
Ag0F Ag0T Ag04 104.33(7) . . ?
Ag0F Ag0T Ag0L 116.61(8) . . ?
Ag0J Ag0T Ag04 71.94(7) . . ?
Ag0J Ag0T Ag05 105.73(8) . . ?
Ag0J Ag0T Ag07 108.22(9) . . ?
Ag0J Ag0T Ag0F 174.16(10) . . ?
Ag0J Ag0T Ag0K 85.25(9) . . ?
Ag0J Ag0T Ag0L 69.18(7) . . ?
Ag0K Ag0T Ag04 157.06(10) . . ?
Ag0K Ag0T Ag05 127.09(9) . . ?
Ag0K Ag0T Ag07 109.69(8) . . ?
Ag0K Ag0T Ag0F 98.60(9) . . ?
Ag0K Ag0T Ag0L 55.89(6) . . ?
Ag0L Ag0T Ag04 111.39(8) . . ?
Ag06 Ag0U Ag08 113.18(9) . . ?
Ag06 Ag0U Ag0D 69.01(6) . 7_556 ?
Ag08 Ag0U Ag0D 73.20(6) . 7_556 ?
Ag0J Ag0U Ag06 105.29(9) . . ?
Ag0J Ag0U Ag08 111.79(8) . . ?
Ag0J Ag0U Ag0D 173.89(10) . 7_556 ?
Ag0L Ag0U Ag06 115.48(9) . . ?
Ag0L Ag0U Ag08 124.86(10) . . ?
Ag0L Ag0U Ag0D 101.67(9) . 7_556 ?
Ag0L Ag0U Ag0J 78.55(8) . . ?
Ag01 Ag0V Ag02 79.18(7) . . ?
Ag01 Ag0V Ag09 118.21(8) . 7_556 ?
Ag01 Ag0V Ag0E 71.45(6) . 7_556 ?
Ag01 Ag0V Ag0K 163.43(9) . . ?
Ag02 Ag0V Ag0K 114.28(8) . . ?
Ag09 Ag0V Ag02 64.66(6) 7_556 . ?
Ag09 Ag0V Ag0K 77.55(7) 7_556 . ?
Ag0E Ag0V Ag02 106.27(7) 7_556 . ?
Ag0E Ag0V Ag09 73.04(6) 7_556 7_556 ?
Ag0E Ag0V Ag0K 111.42(8) 7_556 . ?
Ag0J Ag0V Ag01 103.58(9) . . ?
Ag0J Ag0V Ag02 71.41(7) . . ?
Ag0J Ag0V Ag09 109.29(9) . 7_556 ?
Ag0J Ag0V Ag0E 174.95(11) . 7_556 ?
Ag0J Ag0V Ag0K 73.59(7) . . ?
Ag0M Ag0V Ag01 109.19(9) . . ?
Ag0M Ag0V Ag02 157.93(9) . . ?
Ag0M Ag0V Ag09 123.30(10) . 7_556 ?
Ag0M Ag0V Ag0E 95.79(9) . 7_556 ?
Ag0M Ag0V Ag0J 86.65(8) . . ?
Ag0M Ag0V Ag0K 54.74(6) . . ?
Ag0B S00W Ag06 108.70(18) . . ?
Ag0B S00W Ag0O 105.41(17) . . ?
Ag0O S00W Ag06 110.46(18) . . ?
C01S S00W Ag06 111.7(7) . . ?
C01S S00W Ag0B 108.1(7) . . ?
C01S S00W Ag0O 112.2(7) . . ?
Ag04 S00X Ag05 81.69(14) . . ?
Ag04 S00X Ag06 122.06(17) . . ?
Ag05 S00X Ag06 121.81(19) . . ?
C01Q S00X Ag04 110.9(6) . . ?
C01Q S00X Ag05 107.5(7) . . ?
C01Q S00X Ag06 109.9(7) . . ?
Ag08 S00Y Ag01 115.56(19) . . ?
Ag0O S00Y Ag01 122.8(2) . . ?
Ag0O S00Y Ag08 93.25(15) . . ?
C02A S00Y Ag01 103.9(7) . . ?
C02A S00Y Ag08 106.4(8) . . ?
C02A S00Y Ag0O 114.1(8) . . ?
Ag09 S00Z Ag03 107.41(16) . 7_556 ?
Ag0E S00Z Ag03 104.14(18) . 7_556 ?
Ag0E S00Z Ag09 96.24(16) . . ?
C01U S00Z Ag03 114.6(8) . 7_556 ?
C01U S00Z Ag09 121.5(8) . . ?
C01U S00Z Ag0E 110.1(8) . . ?
Ag0D S010 Ag08 95.34(17) . 7_556 ?
Ag0D S010 Ag0I 107.78(19) . . ?
Ag0I S010 Ag08 107.43(17) . 7_556 ?
C01T S010 Ag08 113.5(7) . 7_556 ?
C01T S010 Ag0D 110.2(7) . . ?
C01T S010 Ag0I 119.8(7) . . ?
Ag04 S011 Ag07 107.96(18) . . ?
Ag0C S011 Ag04 96.44(17) . . ?
Ag0C S011 Ag07 106.96(16) . . ?
C01M S011 Ag04 107.2(7) . . ?
C01M S011 Ag07 122.4(7) . . ?
C01M S011 Ag0C 112.8(7) . . ?
Ag03 S012 Ag06 129.08(18) . 7_556 ?
Ag0D S012 Ag03 83.47(15) . . ?
Ag0D S012 Ag06 85.92(14) . 7_556 ?
C02I S012 Ag03 112.0(6) . . ?
C02I S012 Ag06 118.3(6) . 7_556 ?
C02I S012 Ag0D 111.1(6) . . ?
Ag0A S013 Ag01 126.67(17) . 7_556 ?
Ag0E S013 Ag01 90.23(16) . 7_556 ?
Ag0E S013 Ag0A 84.00(16) . . ?
C02Y S013 Ag01 115.9(5) . 7_556 ?
C02Y S013 Ag0A 116.3(5) . . ?
C02Y S013 Ag0E 107.5(5) . . ?
C01X S014 Ag0B 108.3(7) . . ?
C01X S014 Ag1 106.6(6) . . ?
Ag1 S014 Ag0B 81.84(16) . . ?
Ag02 S015 Ag07 126.34(18) . . ?
Ag02 S015 Ag09 87.13(16) . 7_556 ?
Ag09 S015 Ag07 116.22(18) 7_556 . ?
C02H S015 Ag02 111.0(7) . . ?
C02H S015 Ag07 109.0(6) . . ?
C02H S015 Ag09 103.6(6) . 7_556 ?
Ag0F S016 Ag07 84.54(16) . . ?
Ag0I S016 Ag07 127.5(2) . . ?
Ag0I S016 Ag0F 87.38(16) . . ?
C01N S016 Ag07 112.0(7) . . ?
C01N S016 Ag0F 107.9(6) . . ?
C01N S016 Ag0I 119.8(7) . . ?
Ag02 S017 Ag01 104.84(17) . . ?
Ag0G S017 Ag01 107.41(18) . . ?
Ag0G S017 Ag02 105.92(17) . . ?
C123 S017 Ag01 118.2(5) . . ?
C123 S017 Ag02 109.2(6) . . ?
C123 S017 Ag0G 110.5(5) . . ?
Ag05 S018 Ag0A 106.87(18) . . ?
Ag0F S018 Ag05 102.25(16) . . ?
Ag0F S018 Ag0A 103.79(18) . . ?
C02N S018 Ag05 114.8(7) . . ?
C02N S018 Ag0A 114.0(6) . . ?
C02N S018 Ag0F 114.0(6) . . ?
Ag0N S019 Ag0C 127.4(2) . . ?
C01O S019 Ag0C 111.6(6) . . ?
C01O S019 Ag0N 113.9(6) . . ?
C01O S019 Ag1 104.7(5) . . ?
Ag1 S019 Ag0C 73.09(14) . . ?
Ag1 S019 Ag0N 70.95(14) . . ?
Ag0G S01A Ag0N 74.92(15) . . ?
C056 S01A Ag0G 112.1(8) . . ?
C056 S01A Ag0N 103.8(8) . . ?
O020 N01J O025 122.8(18) . . ?
O020 N01J O278 118.8(18) . . ?
O278 N01J O025 117.7(16) . . ?
C02B C01M S011 108.2(15) . . ?
C02E C01M S011 112.5(15) . . ?
C02E C01M C02B 109.2(16) . . ?
C02E C01M C032 110.3(19) . . ?
C032 C01M S011 108.4(13) . . ?
C032 C01M C02B 108.1(17) . . ?
C02C C01N S016 111.6(15) . . ?
C02T C01N S016 113.4(14) . . ?
C02T C01N C02C 104.9(17) . . ?
C02T C01N C03A 108.3(18) . . ?
C03A C01N S016 109.2(15) . . ?
C03A C01N C02C 109.2(17) . . ?
C028 C01O S019 111.9(12) . . ?
C028 C01O C02F 108.7(15) . . ?
C02F C01O S019 107.0(13) . . ?
C03O C01O S019 111.2(13) . . ?
C03O C01O C028 110.3(16) . . ?
C03O C01O C02F 107.6(15) . . ?
C01X C01P C01Z 111.0(17) . . ?
C02V C01Q S00X 110.1(13) . . ?
C02V C01Q C037 109.4(16) . . ?
C037 C01Q S00X 109.5(14) . . ?
C039 C01Q S00X 112.9(12) . . ?
C039 C01Q C02V 107.3(17) . . ?
C039 C01Q C037 107.6(17) . . ?
C02J C01S S00W 108.2(15) . . ?
C02J C01S C02U 105.9(18) . . ?
C02U C01S S00W 110.0(13) . . ?
C033 C01S S00W 109.2(15) . . ?
C033 C01S C02J 112.5(17) . . ?
C033 C01S C02U 111.0(19) . . ?
C023 C01T S010 108.1(14) . . ?
C02L C01T S010 111.7(16) . . ?
C02L C01T C023 106(2) . . ?
C03D C01T S010 107.5(16) . . ?
C03D C01T C023 111.1(19) . . ?
C03D C01T C02L 112.5(18) . . ?
C02R C01U S00Z 110.8(14) . . ?
C02R C01U C04N 109.3(19) . . ?
C02Z C01U S00Z 110.4(15) . . ?
C02Z C01U C02R 110(2) . . ?
C02Z C01U C04N 110.0(19) . . ?
C04N C01U S00Z 106.6(16) . . ?
C02H C01V C03R 109.6(18) . . ?
C01P C01X S014 113.8(14) . . ?
C01P C01X C046 111.5(17) . . ?
C02M C01X S014 106.1(13) . . ?
C02M C01X C01P 109.8(17) . . ?
C02M C01X C046 107.9(17) . . ?
C046 C01X S014 107.4(14) . . ?
C02D C01Y C02W 111.8(16) . . ?
C02D C01Y C03O 112.7(16) . . ?
C03O C01Y C02W 108.4(16) . . ?
C01P C01Z C034 110.6(16) . . ?
C01P C01Z C03B 108.6(16) . . ?
C034 C01Z C03B 105.4(17) . . ?
N01J O020 Ag0N 90.0(12) . . ?
C02K C021 C026 107.1(16) . . ?
C02X C021 C026 107.1(15) . . ?
C02X C021 C02K 110.3(18) . . ?
C024 C022 C02D 110.9(15) . . ?
C028 C022 C024 109.5(17) . . ?
C028 C022 C02D 108.5(16) . . ?
C01T C023 C03K 112.5(18) . . ?
C022 C024 C029 105.7(16) . . ?
C123 C026 C021 111.3(14) . . ?
C031 C027 C123 111.3(16) . . ?
C022 C028 C01O 111.3(15) . . ?
C02F C029 C024 109.9(16) . . ?
C02F C029 C02W 109.1(17) . . ?
C02W C029 C024 109.9(17) . . ?
C03P C02A S00Y 112.2(19) . . ?
C03P C02A C04E 112(2) . . ?
C03W C02A S00Y 107.8(18) . . ?
C03W C02A C03P 108(2) . . ?
C03W C02A C04E 107(2) . . ?
C04E C02A S00Y 109.6(16) . . ?
C02O C02B C01M 108.5(18) . . ?
C01N C02C C03I 111.1(19) . . ?
C01Y C02D C022 107.2(17) . . ?
C01M C02E C04F 113.3(18) . . ?
C029 C02F C01O 111.8(17) . . ?
C03J C02G C02H 107.1(16) . . ?
C01V C02H S015 112.0(15) . . ?
C01V C02H C02G 107.8(17) . . ?
C01V C02H C038 113.0(16) . . ?
C02G C02H S015 107.2(12) . . ?
C038 C02H S015 106.1(14) . . ?
C038 C02H C02G 110.6(19) . . ?
C7 C02I S012 110.2(11) . . ?
C7 C02I C29 109.6(5) . . ?
C28 C02I S012 111.5(10) . . ?
C28 C02I C7 109.6(6) . . ?
C28 C02I C29 109.5(5) . . ?
C29 C02I S012 106.4(10) . . ?
C35 C02I S012 105.7(12) . . ?
C35 C02I C33 110.2(6) . . ?
C35 C02I C83 109.2(6) . . ?
C33 C02I S012 114.0(12) . . ?
C33 C02I C83 108.9(6) . . ?
C83 C02I S012 108.8(13) . . ?
C03C C02J C01S 106.3(18) . . ?
C031 C02K C021 110.5(18) . . ?
C01T C02L C04B 112(2) . . ?
C01X C02M C03G 112.3(17) . . ?
C03Z C02N S018 108.9(14) . . ?
C03Z C02N C04A 106.2(19) . . ?
C04A C02N S018 110.4(14) . . ?
C04K C02N S018 110.4(13) . . ?
C04K C02N C03Z 112(2) . . ?
C04K C02N C04A 109.0(18) . . ?
C02B C02O C04J 107.8(17) . . ?
C054 C02O C02B 110.0(18) . . ?
C054 C02O C04J 108(2) . . ?
C036 C02P C039 109.0(17) . . ?
C057 C02P C036 109.6(18) . . ?
C057 C02P C039 111.1(18) . . ?
C035 C02Q C123 110.8(15) . . ?
C03T C02R C01U 109.9(18) . . ?
C03M C02S C03C 108.0(17) . . ?
C047 C02T C01N 114.7(19) . . ?
C04Y C02U C01S 109.4(17) . . ?
C01Q C02V C04W 113.0(17) . . ?
C029 C02W C01Y 108.6(15) . . ?
C035 C02X C021 108.7(19) . . ?
C05M C02Y S013 111.5(9) . . ?
C05P C02Y S013 110.0(9) . . ?
C05P C02Y C05M 110.3(6) . . ?
C05P C02Y C061 110.1(6) . . ?
C061 C02Y S013 105.8(9) . . ?
C061 C02Y C05M 109.0(6) . . ?
C044 C02Z C01U 112(2) . . ?
C027 C031 C02K 111.5(19) . . ?
C027 C031 C03L 108.9(19) . . ?
C03L C031 C02K 109(2) . . ?
C01M C032 C03H 109.4(16) . . ?
C01S C033 C03M 107.1(18) . . ?
C03G C034 C01Z 113.2(17) . . ?
C02Q C035 C02X 111.8(19) . . ?
C02Q C035 C03L 106.8(19) . . ?
C02X C035 C03L 109.3(18) . . ?
C049 C036 C02P 111.8(18) . . ?
C049 C037 C01Q 109.7(18) . . ?
C02H C038 C03Q 107.5(18) . . ?
C01Q C039 C02P 109.6(15) . . ?
C01N C03A C04C 107.3(18) . . ?
C03N C03B C01Z 108.9(17) . . ?
C02S C03C C02J 111.0(18) . . ?
C02S C03C C051 113(2) . . ?
C051 C03C C02J 111.9(17) . . ?
C01T C03D C04T 109.2(19) . . ?
C04F C03E C03H 109(2) . . ?
C02M C03G C04Z 105.4(18) . . ?
C034 C03G C02M 109.0(19) . . ?
C034 C03G C04Z 107.5(17) . . ?
C03E C03H C032 104.6(17) . . ?
C04J C03H C032 109.9(19) . . ?
C04J C03H C03E 113.4(19) . . ?
C02C C03I C04M 108(2) . . ?
C048 C03I C02C 108(2) . . ?
C048 C03I C04M 112(2) . . ?
C02G C03J C03S 110.2(19) . . ?
C03U C03J C02G 111(2) . . ?
C03U C03J C03S 106.9(18) . . ?
C023 C03K C03V 104.3(19) . . ?
C023 C03K C040 109(2) . . ?
C040 C03K C03V 111.6(19) . . ?
C031 C03L C035 112(2) . . ?
C02S C03M C033 112.6(19) . . ?
C02S C03M C043 112(2) . . ?
C043 C03M C033 106.6(17) . . ?
C03B C03N C046 109.5(18) . . ?
C04Z C03N C03B 112.9(19) . . ?
C04Z C03N C046 105.6(18) . . ?
C01O C03O C01Y 108.4(16) . . ?
C02A C03P C04I 109(2) . . ?
C03S C03Q C038 110.5(19) . . ?
C03S C03Q C041 111(2) . . ?
C041 C03Q C038 104.0(19) . . ?
C03U C03R C01V 105.9(16) . . ?
C03U C03R C041 111(2) . . ?
C041 C03R C01V 110.3(18) . . ?
C03Q C03S C03J 113(2) . . ?
C02R C03T C042 108(2) . . ?
C02R C03T C053 109(2) . . ?
C042 C03T C053 110(2) . . ?
C03J C03U C03R 112.0(19) . . ?
C04B C03V C03K 107(2) . . ?
C02A C03W C05F 108(2) . . ?
C04K C03X C04P 112.4(19) . . ?
C05C C03X C04K 108(2) . . ?
C05C C03X C04P 114(2) . . ?
C04W C03Y C049 110.2(18) . . ?
C05G C03Z C02N 110(2) . . ?
C04T C040 C03K 107.3(19) . . ?
C03R C041 C03Q 108.9(18) . . ?
C03T C042 C044 111(2) . . ?
C03M C043 C04Y 108(2) . . ?
C02Z C044 C042 108(2) . . ?
C02Z C044 C05D 108(2) . . ?
C042 C044 C05D 107(2) . . ?
C01X C046 C03N 109.1(17) . . ?
C02T C047 C048 107(2) . . ?
C02T C047 C04G 110.3(19) . . ?
C04G C047 C048 110(2) . . ?
C03I C048 C047 108(2) . . ?
C036 C049 C037 106.9(16) . . ?
C036 C049 C03Y 109.0(19) . . ?
C03Y C049 C037 113.4(18) . . ?
C058 C04A C02N 111.0(19) . . ?
C02L C04B C03V 107.6(19) . . ?
C02L C04B C055 110(2) . . ?
C055 C04B C03V 111(2) . . ?
C04G C04C C03A 109(2) . . ?
C04M C04C C03A 113(2) . . ?
C04M C04C C04G 117(2) . . ?
C04O C04D C04H 110(2) . . ?
C04R C04D C04H 109(2) . . ?
C04R C04D C04O 108(2) . . ?
C02A C04E C04L 109(2) . . ?
C02E C04F C054 106.0(19) . . ?
C03E C04F C02E 109.1(18) . . ?
C03E C04F C054 109.3(19) . . ?
C04C C04G C047 103.6(19) . . ?
C04S C04H C04D 108(2) . . ?
C05J C04I C03P 109(3) . . ?
C05J C04I C05X 106(3) . . ?
C05X C04I C03P 115(2) . . ?
C03H C04J C02O 111.3(19) . . ?
C02N C04K C03X 106.5(19) . . ?
C05L C04L C04E 114(3) . . ?
C05L C04L C05X 105(2) . . ?
C05X C04L C04E 109(2) . . ?
C04C C04M C03I 107(2) . . ?
C01U C04N C050 108(2) . . ?
C056 C04O C04D 109(2) . . ?
C03X C04P C058 105(2) . . ?
C04R C04Q C04U 105(2) . . ?
C04X C04Q C04R 111(2) . . ?
C04X C04Q C04U 107(2) . . ?
C04D C04R C04Q 114(2) . . ?
C04X C04S C04H 109(2) . . ?
C04X C04S C05B 109(2) . . ?
C05B C04S C04H 109(2) . . ?
C040 C04T C03D 109.6(17) . . ?
C040 C04T C055 112(2) . . ?
C055 C04T C03D 107.2(19) . . ?
C056 C04U C04Q 110(2) . . ?
C05E C04V C21 108.8(5) . . ?
C02V C04W C057 104.9(16) . . ?
C03Y C04W C02V 110.1(19) . . ?
C03Y C04W C057 109.3(19) . . ?
C04Q C04X C04S 112(2) . . ?
C02U C04Y C043 107.2(19) . . ?
C051 C04Y C02U 108(2) . . ?
C051 C04Y C043 113.1(19) . . ?
C03N C04Z C03G 111.8(19) . . ?
C053 C050 C04N 112(2) . . ?
C053 C050 C05D 114(3) . . ?
C05D C050 C04N 104(2) . . ?
C03C C051 C04Y 106.4(19) . . ?
C050 C053 C03T 112(2) . . ?
C02O C054 C04F 112.7(18) . . ?
C04B C055 C04T 109.8(18) . . ?
C04O C056 S01A 112.5(17) . . ?
C04O C056 C04U 111(2) . . ?
C04O C056 C05B 112(2) . . ?
C04U C056 S01A 107.6(18) . . ?
C05B C056 S01A 108.3(17) . . ?
C05B C056 C04U 105(2) . . ?
C02P C057 C04W 108.2(18) . . ?
C04A C058 C04P 109(2) . . ?
C04A C058 C05S 106.4(19) . . ?
C04P C058 C05S 116(2) . . ?
C05I C05A C05O 110.1(6) . . ?
C05I C05A C28 109.4(6) . . ?
C05O C05A C28 109.2(6) . . ?
C056 C05B C04S 111(2) . . ?
C03X C05C C05G 108(2) . . ?
C050 C05D C044 109(2) . . ?
C04V C05E C05M 107.3(7) . . ?
C05T C05E C04V 111.4(6) . . ?
C05T C05E C05M 110.4(6) . . ?
C05J C05F C03W 113(3) . . ?
C05L C05F C03W 114(2) . . ?
C05L C05F C05J 106(3) . . ?
C03Z C05G C05C 107(2) . . ?
C03Z C05G C05S 107(2) . . ?
C05C C05G C05S 115(2) . . ?
C05N C05H C05P 109.5(5) . . ?
C05N C05H C05T 108.9(6) . . ?
C05P C05H C05T 108.3(6) . . ?
C56 C05I C05A 109.1(4) . . ?
C04I C05J C05F 110(3) . . ?
C05F C05L C04L 108(3) . . ?
C05E C05M C02Y 108.7(5) . . ?
C21 C05N C05H 109.7(4) . . ?
C05V C05O C05A 109.4(4) . . ?
C02Y C05P C05H 109.6(4) . . ?
C05G C05S C058 107(2) . . ?
C05E C05T C05H 109.9(4) . . ?
C05O C05V C060 110.1(6) . . ?
C05O C05V C7 108.7(7) . . ?
C7 C05V C060 110.0(6) . . ?
C04I C05X C04L 108(3) . . ?
C56 C060 C05V 109.1(4) . . ?
C21 C061 C02Y 108.7(4) . . ?
N01J O278 Ag0N 99.7(11) . . ?
C05V C7 C02I 109.4(4) . . ?
C026 C123 S017 108.8(10) . . ?
C026 C123 C027 107.1(14) . . ?
C026 C123 C02Q 108.9(15) . . ?
C027 C123 S017 112.9(11) . . ?
C02Q C123 S017 110.9(11) . . ?
C02Q C123 C027 108.2(15) . . ?
C02I C28 C05A 109.0(4) . . ?
C56 C29 C02I 109.1(4) . . ?
C05I C56 C060 109.5(6) . . ?
C05I C56 C29 109.9(6) . . ?
C060 C56 C29 109.7(6) . . ?
C05N C21 C04V 110.8(6) . . ?
C05N C21 C061 110.0(6) . . ?
C061 C21 C04V 108.8(6) . . ?
C30 C35 C02I 110.1(5) . . ?
C35 C30 C44 109.2(7) . . ?
C39 C30 C35 108.7(7) . . ?
C39 C30 C44 109.2(7) . . ?
C02I C33 C128 108.6(4) . . ?
C30 C39 C78 110.1(4) . . ?
C128 C44 C30 109.8(4) . . ?
C83 C78 C39 109.7(6) . . ?
C83 C78 C89 108.5(7) . . ?
C89 C78 C39 110.7(6) . . ?
C78 C83 C02I 109.6(4) . . ?
C78 C89 C128 108.9(5) . . ?
C44 C128 C33 109.9(6) . . ?
C44 C128 C89 110.5(6) . . ?
C89 C128 C33 108.8(6) . . ?
Ag0C Ag1 Ag0B 102.68(6) . . ?
Ag0N Ag1 Ag0B 98.86(7) . . ?
Ag0N Ag1 Ag0C 99.55(6) . . ?
S014 Ag1 Ag0B 49.79(13) . . ?
S014 Ag1 Ag0C 122.89(14) . . ?
S014 Ag1 Ag0N 129.58(14) . . ?
S014 Ag1 S019 175.8(2) . . ?
S019 Ag1 Ag0B 131.63(14) . . ?
S019 Ag1 Ag0C 53.67(13) . . ?
S019 Ag1 Ag0N 54.56(13) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ag01 S00Y C02A C03P -50.3(18) . . . . ?
Ag01 S00Y C02A C03W 67.9(17) . . . . ?
Ag01 S00Y C02A C04E -175.7(17) . . . . ?
Ag01 S013 C02Y C05M -67.6(9) 7_556 . . . ?
Ag01 S013 C02Y C05P 169.7(6) 7_556 . . . ?
Ag01 S013 C02Y C061 50.8(8) 7_556 . . . ?
Ag01 S017 C123 C026 -67.3(13) . . . . ?
Ag01 S017 C123 C027 51.5(14) . . . . ?
Ag01 S017 C123 C02Q 173.1(12) . . . . ?
Ag02 S015 C02H C01V -25.8(16) . . . . ?
Ag02 S015 C02H C02G 92.2(14) . . . . ?
Ag02 S015 C02H C038 -149.5(12) . . . . ?
Ag02 S017 C123 C026 52.4(13) . . . . ?
Ag02 S017 C123 C027 171.1(12) . . . . ?
Ag02 S017 C123 C02Q -67.3(14) . . . . ?
Ag03 S00Z C01U C02R -174.7(13) 7_556 . . . ?
Ag03 S00Z C01U C02Z -52.9(19) 7_556 . . . ?
Ag03 S00Z C01U C04N 66.5(16) 7_556 . . . ?
Ag03 S012 C02I C7 38.9(10) . . . . ?
Ag03 S012 C02I C28 160.9(8) . . . . ?
Ag03 S012 C02I C29 -79.9(9) . . . . ?
Ag03 S012 C02I C35 104.9(12) . . . . ?
Ag03 S012 C02I C33 -16.2(14) . . . . ?
Ag03 S012 C02I C83 -137.9(12) . . . . ?
Ag04 S00X C01Q C02V -130.4(13) . . . . ?
Ag04 S00X C01Q C037 109.4(13) . . . . ?
Ag04 S00X C01Q C039 -10.5(17) . . . . ?
Ag04 S011 C01M C02B -65.2(13) . . . . ?
Ag04 S011 C01M C02E 55.5(17) . . . . ?
Ag04 S011 C01M C032 177.8(12) . . . . ?
Ag05 S00X C01Q C02V -42.8(15) . . . . ?
Ag05 S00X C01Q C037 -163.1(12) . . . . ?
Ag05 S00X C01Q C039 77.1(15) . . . . ?
Ag05 S018 C02N C03Z -174.9(13) . . . . ?
Ag05 S018 C02N C04A 68.9(16) . . . . ?
Ag05 S018 C02N C04K -51.6(16) . . . . ?
Ag06 S00W C01S C02J 73.8(15) . . . . ?
Ag06 S00W C01S C02U -171.1(13) . . . . ?
Ag06 S00W C01S C033 -49.0(16) . . . . ?
Ag06 S00X C01Q C02V 91.7(15) . . . . ?
Ag06 S00X C01Q C037 -28.5(15) . . . . ?
Ag06 S00X C01Q C039 -148.4(13) . . . . ?
Ag06 S012 C02I C7 -149.5(8) 7_556 . . . ?
Ag06 S012 C02I C28 -27.5(11) 7_556 . . . ?
Ag06 S012 C02I C29 91.8(9) 7_556 . . . ?
Ag06 S012 C02I C35 -83.4(13) 7_556 . . . ?
Ag06 S012 C02I C33 155.4(12) 7_556 . . . ?
Ag06 S012 C02I C83 33.7(14) 7_556 . . . ?
Ag07 S011 C01M C02B 169.5(10) . . . . ?
Ag07 S011 C01M C02E -69.8(17) . . . . ?
Ag07 S011 C01M C032 52.5(16) . . . . ?
Ag07 S015 C02H C01V -169.3(13) . . . . ?
Ag07 S015 C02H C02G -51.3(15) . . . . ?
Ag07 S015 C02H C038 67.0(14) . . . . ?
Ag07 S016 C01N C02C 178.9(12) . . . . ?
Ag07 S016 C01N C02T 60.6(16) . . . . ?
Ag07 S016 C01N C03A -60.2(15) . . . . ?
Ag08 S00Y C02A C03P -172.7(15) . . . . ?
Ag08 S00Y C02A C03W -54.5(17) . . . . ?
Ag08 S00Y C02A C04E 61.9(19) . . . . ?
Ag08 S010 C01T C023 -64.1(16) 7_556 . . . ?
Ag08 S010 C01T C02L 179.7(14) 7_556 . . . ?
Ag08 S010 C01T C03D 55.9(15) 7_556 . . . ?
Ag09 S00Z C01U C02R 53.5(19) . . . . ?
Ag09 S00Z C01U C02Z 175.2(14) . . . . ?
Ag09 S00Z C01U C04N -65.3(17) . . . . ?
Ag09 S015 C02H C01V 66.3(15) 7_556 . . . ?
Ag09 S015 C02H C02G -175.6(13) 7_556 . . . ?
Ag09 S015 C02H C038 -57.4(14) 7_556 . . . ?
Ag0A S013 C02Y C05M 123.4(7) . . . . ?
Ag0A S013 C02Y C05P 0.7(9) . . . . ?
Ag0A S013 C02Y C061 -118.2(7) . . . . ?
Ag0A S018 C02N C03Z 61.4(15) . . . . ?
Ag0A S018 C02N C04A -54.8(16) . . . . ?
Ag0A S018 C02N C04K -175.3(13) . . . . ?
Ag0B S00W C01S C02J -45.8(15) . . . . ?
Ag0B S00W C01S C02U 69.4(16) . . . . ?
Ag0B S00W C01S C033 -168.5(12) . . . . ?
Ag0B S014 C01X C01P -20.6(15) . . . . ?
Ag0B S014 C01X C02M 100.3(14) . . . . ?
Ag0B S014 C01X C046 -144.5(12) . . . . ?
Ag0C S011 C01M C02B 39.6(14) . . . . ?
Ag0C S011 C01M C02E 160.3(14) . . . . ?
Ag0C S011 C01M C032 -77.4(15) . . . . ?
Ag0C S019 C01O C028 -110.2(13) . . . . ?
Ag0C S019 C01O C02F 130.9(12) . . . . ?
Ag0C S019 C01O C03O 13.6(13) . . . . ?
Ag0D S010 C01T C023 -169.7(13) . . . . ?
Ag0D S010 C01T C02L 74.2(17) . . . . ?
Ag0D S010 C01T C03D -49.7(15) . . . . ?
Ag0D S012 C02I C7 -52.5(10) . . . . ?
Ag0D S012 C02I C28 69.5(10) . . . . ?
Ag0D S012 C02I C29 -171.3(8) . . . . ?
Ag0D S012 C02I C35 13.5(13) . . . . ?
Ag0D S012 C02I C33 -107.6(13) . . . . ?
Ag0D S012 C02I C83 130.7(12) . . . . ?
Ag0E S00Z C01U C02R -57.6(17) . . . . ?
Ag0E S00Z C01U C02Z 64.1(18) . . . . ?
Ag0E S00Z C01U C04N -176.5(13) . . . . ?
Ag0E S013 C02Y C05M 31.5(9) . . . . ?
Ag0E S013 C02Y C05P -91.2(7) . . . . ?
Ag0E S013 C02Y C061 149.9(6) . . . . ?
Ag0F S016 C01N C02C 87.6(14) . . . . ?
Ag0F S016 C01N C02T -30.7(17) . . . . ?
Ag0F S016 C01N C03A -151.5(13) . . . . ?
Ag0F S018 C02N C03Z -57.5(16) . . . . ?
Ag0F S018 C02N C04A -173.6(13) . . . . ?
Ag0F S018 C02N C04K 65.8(16) . . . . ?
Ag0G S017 C123 C026 168.5(11) . . . . ?
Ag0G S017 C123 C027 -72.8(13) . . . . ?
Ag0G S017 C123 C02Q 48.8(14) . . . . ?
Ag0G S01A C056 C04O -34(2) . . . . ?
Ag0G S01A C056 C04U -156.8(14) . . . . ?
Ag0G S01A C056 C05B 90.4(15) . . . . ?
Ag0I S010 C01T C023 64.5(16) . . . . ?
Ag0I S010 C01T C02L -51.6(18) . . . . ?
Ag0I S010 C01T C03D -175.5(11) . . . . ?
Ag0I S016 C01N C02C -9.9(16) . . . . ?
Ag0I S016 C01N C02T -128.2(14) . . . . ?
Ag0I S016 C01N C03A 111.0(14) . . . . ?
Ag0N S019 C01O C028 42.5(14) . . . . ?
Ag0N S019 C01O C02F -76.5(13) . . . . ?
Ag0N S019 C01O C03O 166.3(10) . . . . ?
Ag0N S01A C056 C04O 45(2) . . . . ?
Ag0N S01A C056 C04U -77.7(16) . . . . ?
Ag0N S01A C056 C05B 169.5(14) . . . . ?
Ag0O S00W C01S C02J -161.6(12) . . . . ?
Ag0O S00W C01S C02U -46.4(17) . . . . ?
Ag0O S00W C01S C033 75.7(15) . . . . ?
Ag0O S00Y C02A C03P 86.0(17) . . . . ?
Ag0O S00Y C02A C03W -155.8(14) . . . . ?
Ag0O S00Y C02A C04E -39(2) . . . . ?
S00W C01S C02J C03C 179.4(14) . . . . ?
S00W C01S C02U C04Y -179.7(16) . . . . ?
S00W C01S C033 C03M 176.7(14) . . . . ?
S00X C01Q C02V C04W -175.0(15) . . . . ?
S00X C01Q C037 C049 174.4(14) . . . . ?
S00X C01Q C039 C02P 179.9(14) . . . . ?
S00Y C02A C03P C04I -178.2(17) . . . . ?
S00Y C02A C03W C05F 179.8(16) . . . . ?
S00Y C02A C04E C04L -175.6(18) . . . . ?
S00Z C01U C02R C03T -178.2(17) . . . . ?
S00Z C01U C02Z C044 178.9(18) . . . . ?
S00Z C01U C04N C050 175.9(16) . . . . ?
S010 C01T C023 C03K 176.2(15) . . . . ?
S010 C01T C02L C04B -179.3(17) . . . . ?
S010 C01T C03D C04T -177.9(13) . . . . ?
S011 C01M C02B C02O -179.7(13) . . . . ?
S011 C01M C02E C04F 178.4(15) . . . . ?
S011 C01M C032 C03H 176.7(14) . . . . ?
S012 C02I C7 C05V -176.5(11) . . . . ?
S012 C02I C28 C05A 178.1(12) . . . . ?
S012 C02I C29 C56 179.2(11) . . . . ?
S012 C02I C35 C30 176.8(13) . . . . ?
S012 C02I C33 C128 177.9(14) . . . . ?
S012 C02I C83 C78 -174.1(13) . . . . ?
S013 C02Y C05M C05E 178.5(10) . . . . ?
S013 C02Y C05P C05H -175.9(10) . . . . ?
S013 C02Y C061 C21 179.2(9) . . . . ?
S014 C01X C02M C03G 177.3(16) . . . . ?
S014 C01X C046 C03N -176.1(13) . . . . ?
S015 C02H C038 C03Q -175.1(14) . . . . ?
S016 C01N C02C C03I 177.5(15) . . . . ?
S016 C01N C02T C047 -177.6(16) . . . . ?
S016 C01N C03A C04C -177.8(15) . . . . ?
S018 C02N C03Z C05G -179.8(15) . . . . ?
S018 C02N C04A C058 178.5(15) . . . . ?
S018 C02N C04K C03X 179.7(15) . . . . ?
S019 C01O C028 C022 -176.4(13) . . . . ?
S019 C01O C02F C029 179.0(14) . . . . ?
S019 C01O C03O C01Y 178.6(11) . . . . ?
S01A C056 C05B C04S 177.4(16) . . . . ?
C01M C02B C02O C04J 61(2) . . . . ?
C01M C02B C02O C054 -57(2) . . . . ?
C01M C02E C04F C03E -58(3) . . . . ?
C01M C02E C04F C054 60(2) . . . . ?
C01M C032 C03H C03E 62(2) . . . . ?
C01M C032 C03H C04J -60(2) . . . . ?
C01N C02C C03I C048 64(3) . . . . ?
C01N C02C C03I C04M -58(2) . . . . ?
C01N C02T C047 C048 -61(2) . . . . ?
C01N C02T C047 C04G 58(3) . . . . ?
C01N C03A C04C C04G -68(2) . . . . ?
C01N C03A C04C C04M 65(3) . . . . ?
C01P C01X C02M C03G -59(2) . . . . ?
C01P C01X C046 C03N 59(2) . . . . ?
C01P C01Z C034 C03G 54(2) . . . . ?
C01P C01Z C03B C03N -59(2) . . . . ?
C01Q C02V C04W C03Y 57(2) . . . . ?
C01Q C02V C04W C057 -61(2) . . . . ?
C01Q C037 C049 C036 63(2) . . . . ?
C01Q C037 C049 C03Y -57(2) . . . . ?
C01S C02J C03C C02S 62(2) . . . . ?
C01S C02J C03C C051 -65(2) . . . . ?
C01S C02U C04Y C043 -58(2) . . . . ?
C01S C02U C04Y C051 64(2) . . . . ?
C01S C033 C03M C02S -57(2) . . . . ?
C01S C033 C03M C043 66(2) . . . . ?
C01T C023 C03K C03V 64(2) . . . . ?
C01T C023 C03K C040 -56(2) . . . . ?
C01T C02L C04B C03V -64(3) . . . . ?
C01T C02L C04B C055 57(3) . . . . ?
C01T C03D C04T C040 63(2) . . . . ?
C01T C03D C04T C055 -59(2) . . . . ?
C01U C02R C03T C042 -60(3) . . . . ?
C01U C02R C03T C053 59(3) . . . . ?
C01U C02Z C044 C042 58(3) . . . . ?
C01U C02Z C044 C05D -58(3) . . . . ?
C01U C04N C050 C053 -57(3) . . . . ?
C01U C04N C050 C05D 66(3) . . . . ?
C01V C02H C038 C03Q 62(2) . . . . ?
C01V C03R C03U C03J 60(2) . . . . ?
C01V C03R C041 C03Q -63(2) . . . . ?
C01X C01P C01Z C034 -55(2) . . . . ?
C01X C01P C01Z C03B 60(2) . . . . ?
C01X C02M C03G C034 57(2) . . . . ?
C01X C02M C03G C04Z -58(2) . . . . ?
C01Z C01P C01X S014 176.4(13) . . . . ?
C01Z C01P C01X C02M 58(2) . . . . ?
C01Z C01P C01X C046 -62(2) . . . . ?
C01Z C034 C03G C02M -54(2) . . . . ?
C01Z C034 C03G C04Z 60(2) . . . . ?
C01Z C03B C03N C046 58(2) . . . . ?
C01Z C03B C03N C04Z -60(2) . . . . ?
O020 N01J O278 Ag0N 8(2) . . . . ?
C021 C026 C123 S017 -178.9(13) . . . . ?
C021 C026 C123 C027 59(2) . . . . ?
C021 C026 C123 C02Q -58(2) . . . . ?
C021 C02K C031 C027 -60(3) . . . . ?
C021 C02K C031 C03L 60(2) . . . . ?
C021 C02X C035 C02Q 62(2) . . . . ?
C021 C02X C035 C03L -56(2) . . . . ?
C022 C024 C029 C02F 60(2) . . . . ?
C022 C024 C029 C02W -60(2) . . . . ?
C023 C01T C02L C04B 63(2) . . . . ?
C023 C01T C03D C04T -60(2) . . . . ?
C023 C03K C03V C04B -60(2) . . . . ?
C023 C03K C040 C04T 57(2) . . . . ?
C024 C022 C028 C01O 62(2) . . . . ?
C024 C022 C02D C01Y -61(2) . . . . ?
C024 C029 C02F C01O -60(2) . . . . ?
C024 C029 C02W C01Y 61(2) . . . . ?
O025 N01J O020 Ag0N -178(2) . . . . ?
O025 N01J O278 Ag0N 179.1(17) . . . . ?
C026 C021 C02K C031 57(2) . . . . ?
C026 C021 C02X C035 -59(2) . . . . ?
C027 C031 C03L C035 61(2) . . . . ?
C028 C01O C02F C029 58(2) . . . . ?
C028 C01O C03O C01Y -56.6(17) . . . . ?
C028 C022 C024 C029 -61(2) . . . . ?
C028 C022 C02D C01Y 59.3(19) . . . . ?
C02A C03P C04I C05J -64(3) . . . . ?
C02A C03P C04I C05X 55(3) . . . . ?
C02A C03W C05F C05J 57(3) . . . . ?
C02A C03W C05F C05L -64(3) . . . . ?
C02A C04E C04L C05L 56(3) . . . . ?
C02A C04E C04L C05X -60(3) . . . . ?
C02B C01M C02E C04F -62(2) . . . . ?
C02B C01M C032 C03H 60(2) . . . . ?
C02B C02O C04J C03H -62(2) . . . . ?
C02B C02O C054 C04F 59(3) . . . . ?
C02C C01N C02T C047 60(2) . . . . ?
C02C C01N C03A C04C -55(2) . . . . ?
C02C C03I C048 C047 -62(3) . . . . ?
C02C C03I C04M C04C 62(3) . . . . ?
C02D C01Y C02W C029 -64(2) . . . . ?
C02D C01Y C03O C01O 61(2) . . . . ?
C02D C022 C024 C029 59(2) . . . . ?
C02D C022 C028 C01O -58.9(19) . . . . ?
C02E C01M C02B C02O 58(2) . . . . ?
C02E C01M C032 C03H -60(2) . . . . ?
C02E C04F C054 C02O -58(2) . . . . ?
C02F C01O C028 C022 -59(2) . . . . ?
C02F C01O C03O C01Y 61.7(19) . . . . ?
C02F C029 C02W C01Y -59(2) . . . . ?
C02G C02H C038 C03Q -59(2) . . . . ?
C02G C03J C03S C03Q 60(3) . . . . ?
C02G C03J C03U C03R -61(2) . . . . ?
C02H C01V C03R C03U -63(2) . . . . ?
C02H C01V C03R C041 57(2) . . . . ?
C02H C02G C03J C03S -59(2) . . . . ?
C02H C02G C03J C03U 59(2) . . . . ?
C02H C038 C03Q C03S 57(3) . . . . ?
C02H C038 C03Q C041 -62(2) . . . . ?
C02I C29 C56 C05I 60.0(7) . . . . ?
C02I C29 C56 C060 -60.4(7) . . . . ?
C02I C35 C30 C39 -60.2(9) . . . . ?
C02I C35 C30 C44 58.8(9) . . . . ?
C02I C33 C128 C44 -59.9(8) . . . . ?
C02I C33 C128 C89 61.2(8) . . . . ?
C02J C01S C02U C04Y -63(2) . . . . ?
C02J C01S C033 C03M 57(2) . . . . ?
C02J C03C C051 C04Y 65(2) . . . . ?
C02K C021 C026 C123 -58(2) . . . . ?
C02K C021 C02X C035 57(2) . . . . ?
C02K C031 C03L C035 -61(2) . . . . ?
C02L C01T C023 C03K -64(2) . . . . ?
C02L C01T C03D C04T 59(2) . . . . ?
C02L C04B C055 C04T -59(3) . . . . ?
C02M C01X C046 C03N -62(2) . . . . ?
C02M C03G C04Z C03N 62(2) . . . . ?
C02N C03Z C05G C05C -58(3) . . . . ?
C02N C03Z C05G C05S 65(3) . . . . ?
C02N C04A C058 C04P 62(3) . . . . ?
C02N C04A C058 C05S -64(2) . . . . ?
C02P C036 C049 C037 -62(2) . . . . ?
C02P C036 C049 C03Y 60(2) . . . . ?
C02Q C035 C03L C031 -61(2) . . . . ?
C02R C01U C02Z C044 -59(3) . . . . ?
C02R C01U C04N C050 56(2) . . . . ?
C02R C03T C042 C044 61(3) . . . . ?
C02R C03T C053 C050 -60(3) . . . . ?
C02S C03C C051 C04Y -61(2) . . . . ?
C02S C03M C043 C04Y 56(2) . . . . ?
C02T C01N C02C C03I -59(2) . . . . ?
C02T C01N C03A C04C 58(2) . . . . ?
C02T C047 C048 C03I 60(3) . . . . ?
C02T C047 C04G C04C -60(2) . . . . ?
C02U C01S C02J C03C 62(2) . . . . ?
C02U C01S C033 C03M -62(2) . . . . ?
C02U C04Y C051 C03C -62(2) . . . . ?
C02V C01Q C037 C049 54(2) . . . . ?
C02V C01Q C039 C02P -59(2) . . . . ?
C02V C04W C057 C02P 60(2) . . . . ?
C02W C01Y C02D C022 61(2) . . . . ?
C02W C01Y C03O C01O -63.3(19) . . . . ?
C02W C029 C02F C01O 60(2) . . . . ?
C02X C021 C026 C123 60(2) . . . . ?
C02X C021 C02K C031 -59(2) . . . . ?
C02X C035 C03L C031 60(2) . . . . ?
C02Y C061 C21 C04V 61.0(7) . . . . ?
C02Y C061 C21 C05N -60.5(7) . . . . ?
C02Z C01U C02R C03T 60(3) . . . . ?
C02Z C01U C04N C050 -64(2) . . . . ?
C02Z C044 C05D C050 62(3) . . . . ?
C031 C027 C123 S017 -178.9(15) . . . . ?
C031 C027 C123 C026 -59(2) . . . . ?
C031 C027 C123 C02Q 58(2) . . . . ?
C032 C01M C02B C02O -62(2) . . . . ?
C032 C01M C02E C04F 57(2) . . . . ?
C032 C03H C04J C02O 60(2) . . . . ?
C033 C01S C02J C03C -60(2) . . . . ?
C033 C01S C02U C04Y 59(2) . . . . ?
C033 C03M C043 C04Y -68(2) . . . . ?
C034 C01Z C03B C03N 59(2) . . . . ?
C034 C03G C04Z C03N -55(2) . . . . ?
C035 C02Q C123 S017 176.5(16) . . . . ?
C035 C02Q C123 C026 57(2) . . . . ?
C035 C02Q C123 C027 -59(2) . . . . ?
C036 C02P C039 C01Q -58(2) . . . . ?
C036 C02P C057 C04W 58(2) . . . . ?
C037 C01Q C02V C04W -55(2) . . . . ?
C037 C01Q C039 C02P 59(2) . . . . ?
C038 C03Q C03S C03J -57(3) . . . . ?
C038 C03Q C041 C03R 65(2) . . . . ?
C039 C01Q C02V C04W 62(2) . . . . ?
C039 C01Q C037 C049 -63(2) . . . . ?
C039 C02P C036 C049 60(2) . . . . ?
C039 C02P C057 C04W -63(2) . . . . ?
C03A C01N C02C C03I 57(2) . . . . ?
C03A C01N C02T C047 -56(2) . . . . ?
C03A C04C C04G C047 66(2) . . . . ?
C03A C04C C04M C03I -66(3) . . . . ?
C03B C01Z C034 C03G -63(2) . . . . ?
C03B C03N C046 C01X -58(2) . . . . ?
C03B C03N C04Z C03G 56(3) . . . . ?
C03C C02S C03M C033 60(2) . . . . ?
C03C C02S C03M C043 -60(2) . . . . ?
C03D C01T C023 C03K 58(3) . . . . ?
C03D C01T C02L C04B -58(3) . . . . ?
C03D C04T C055 C04B 59(2) . . . . ?
C03E C03H C04J C02O -57(3) . . . . ?
C03E C04F C054 C02O 59(3) . . . . ?
C03H C03E C04F C02E 61(2) . . . . ?
C03H C03E C04F C054 -54(2) . . . . ?
C03J C02G C02H S015 177.8(15) . . . . ?
C03J C02G C02H C01V -61(2) . . . . ?
C03J C02G C02H C038 63(2) . . . . ?
C03K C03V C04B C02L 62(3) . . . . ?
C03K C03V C04B C055 -58(2) . . . . ?
C03K C040 C04T C03D -60(2) . . . . ?
C03K C040 C04T C055 59(2) . . . . ?
C03M C02S C03C C02J -63(2) . . . . ?
C03M C02S C03C C051 63(2) . . . . ?
C03M C043 C04Y C02U 64(2) . . . . ?
C03M C043 C04Y C051 -55(3) . . . . ?
C03O C01O C028 C022 59(2) . . . . ?
C03O C01O C02F C029 -61(2) . . . . ?
C03O C01Y C02D C022 -61(2) . . . . ?
C03O C01Y C02W C029 61(2) . . . . ?
C03P C02A C03W C05F -59(3) . . . . ?
C03P C02A C04E C04L 59(3) . . . . ?
C03P C04I C05J C05F 59(3) . . . . ?
C03P C04I C05X C04L -57(4) . . . . ?
C03R C01V C02H S015 -177.5(13) . . . . ?
C03R C01V C02H C02G 65(2) . . . . ?
C03R C01V C02H C038 -58(2) . . . . ?
C03S C03J C03U C03R 59(2) . . . . ?
C03S C03Q C041 C03R -54(3) . . . . ?
C03T C042 C044 C02Z -59(3) . . . . ?
C03T C042 C044 C05D 57(3) . . . . ?
C03U C03J C03S C03Q -60(3) . . . . ?
C03U C03R C041 C03Q 54(2) . . . . ?
C03V C03K C040 C04T -58(3) . . . . ?
C03V C04B C055 C04T 60(3) . . . . ?
C03W C02A C03P C04I 63(3) . . . . ?
C03W C02A C04E C04L -59(3) . . . . ?
C03W C05F C05J C04I -57(4) . . . . ?
C03W C05F C05L C04L 57(3) . . . . ?
C03X C04P C058 C04A -61(3) . . . . ?
C03X C04P C058 C05S 58(3) . . . . ?
C03X C05C C05G C03Z 64(3) . . . . ?
C03X C05C C05G C05S -54(3) . . . . ?
C03Y C04W C057 C02P -58(2) . . . . ?
C03Z C02N C04A C058 61(2) . . . . ?
C03Z C02N C04K C03X -59(2) . . . . ?
C03Z C05G C05S C058 -66(3) . . . . ?
C040 C03K C03V C04B 58(3) . . . . ?
C040 C04T C055 C04B -61(3) . . . . ?
C041 C03Q C03S C03J 58(2) . . . . ?
C041 C03R C03U C03J -60(2) . . . . ?
C042 C03T C053 C050 58(3) . . . . ?
C042 C044 C05D C050 -55(3) . . . . ?
C043 C04Y C051 C03C 56(2) . . . . ?
C046 C01X C02M C03G 62(2) . . . . ?
C046 C03N C04Z C03G -63(2) . . . . ?
C048 C03I C04M C04C -57(3) . . . . ?
C048 C047 C04G C04C 57(2) . . . . ?
C049 C03Y C04W C02V -56(2) . . . . ?
C049 C03Y C04W C057 59(2) . . . . ?
C04A C02N C03Z C05G -61(2) . . . . ?
C04A C02N C04K C03X 58(2) . . . . ?
C04A C058 C05S C05G 65(2) . . . . ?
C04D C04H C04S C04X 60(3) . . . . ?
C04D C04H C04S C05B -59(3) . . . . ?
C04D C04O C056 S01A -179.6(18) . . . . ?
C04D C04O C056 C04U -59(3) . . . . ?
C04D C04O C056 C05B 58(3) . . . . ?
C04E C02A C03P C04I -54(3) . . . . ?
C04E C02A C03W C05F 62(3) . . . . ?
C04E C04L C05L C05F -53(3) . . . . ?
C04E C04L C05X C04I 58(3) . . . . ?
C04F C03E C03H C032 -63(2) . . . . ?
C04F C03E C03H C04J 56(3) . . . . ?
C04G C047 C048 C03I -59(3) . . . . ?
C04G C04C C04M C03I 62(3) . . . . ?
C04H C04D C04O C056 -60(3) . . . . ?
C04H C04D C04R C04Q 56(3) . . . . ?
C04H C04S C04X C04Q -59(3) . . . . ?
C04H C04S C05B C056 58(3) . . . . ?
C04J C02O C054 C04F -58(2) . . . . ?
C04K C02N C03Z C05G 58(2) . . . . ?
C04K C02N C04A C058 -60(3) . . . . ?
C04K C03X C04P C058 65(3) . . . . ?
C04K C03X C05C C05G -68(2) . . . . ?
C04M C03I C048 C047 57(3) . . . . ?
C04M C04C C04G C047 -64(3) . . . . ?
C04N C01U C02R C03T -61(2) . . . . ?
C04N C01U C02Z C044 62(3) . . . . ?
C04N C050 C053 C03T 58(3) . . . . ?
C04N C050 C05D C044 -64(3) . . . . ?
C04O C04D C04H C04S 61(3) . . . . ?
C04O C04D C04R C04Q -63(3) . . . . ?
C04O C056 C05B C04S -58(3) . . . . ?
C04P C03X C04K C02N -64(3) . . . . ?
C04P C03X C05C C05G 58(3) . . . . ?
C04P C058 C05S C05G -56(3) . . . . ?
C04Q C04U C056 S01A -177.4(17) . . . . ?
C04Q C04U C056 C04O 59(3) . . . . ?
C04Q C04U C056 C05B -62(3) . . . . ?
C04R C04D C04H C04S -58(3) . . . . ?
C04R C04D C04O C056 59(3) . . . . ?
C04R C04Q C04U C056 -56(3) . . . . ?
C04R C04Q C04X C04S 55(3) . . . . ?
C04U C04Q C04R C04D 61(3) . . . . ?
C04U C04Q C04X C04S -60(3) . . . . ?
C04U C056 C05B C04S 63(2) . . . . ?
C04V C05E C05M C02Y -62.9(9) . . . . ?
C04V C05E C05T C05H 58.9(8) . . . . ?
C04W C03Y C049 C036 -60(2) . . . . ?
C04W C03Y C049 C037 59(3) . . . . ?
C04X C04Q C04R C04D -55(3) . . . . ?
C04X C04Q C04U C056 62(3) . . . . ?
C04X C04S C05B C056 -62(3) . . . . ?
C04Z C03N C046 C01X 64(2) . . . . ?
C053 C03T C042 C044 -57(3) . . . . ?
C053 C050 C05D C044 58(3) . . . . ?
C054 C02O C04J C03H 57(2) . . . . ?
C057 C02P C036 C049 -62(2) . . . . ?
C057 C02P C039 C01Q 63(2) . . . . ?
C05A C05I C56 C060 60.4(7) . . . . ?
C05A C05I C56 C29 -60.1(7) . . . . ?
C05A C05O C05V C060 -59.1(8) . . . . ?
C05A C05O C05V C7 61.5(8) . . . . ?
C05B C04S C04X C04Q 60(3) . . . . ?
C05C C03X C04K C02N 63(2) . . . . ?
C05C C03X C04P C058 -59(3) . . . . ?
C05C C05G C05S C058 52(3) . . . . ?
C05D C050 C053 C03T -59(3) . . . . ?
C05E C04V C21 C05N 58.0(9) . . . . ?
C05E C04V C21 C061 -63.0(8) . . . . ?
C05H C05N C21 C04V -60.1(8) . . . . ?
C05H C05N C21 C061 60.2(7) . . . . ?
C05I C05A C05O C05V 59.0(8) . . . . ?
C05I C05A C28 C02I -60.8(7) . . . . ?
C05J C04I C05X C04L 63(3) . . . . ?
C05J C05F C05L C04L -68(3) . . . . ?
C05L C04L C05X C04I -64(3) . . . . ?
C05L C05F C05J C04I 68(3) . . . . ?
C05M C02Y C05P C05H 60.6(8) . . . . ?
C05M C02Y C061 C21 -60.7(7) . . . . ?
C05M C05E C05T C05H -60.2(8) . . . . ?
C05N C05H C05P C02Y 58.4(8) . . . . ?
C05N C05H C05T C05E -59.0(8) . . . . ?
C05O C05A C05I C56 -59.7(8) . . . . ?
C05O C05A C28 C02I 59.9(7) . . . . ?
C05O C05V C060 C56 60.0(7) . . . . ?
C05O C05V C7 C02I -61.0(8) . . . . ?
C05P C02Y C05M C05E -59.0(9) . . . . ?
C05P C02Y C061 C21 60.4(7) . . . . ?
C05P C05H C05N C21 -58.7(8) . . . . ?
C05P C05H C05T C05E 60.1(7) . . . . ?
C05T C05E C05M C02Y 58.7(8) . . . . ?
C05T C05H C05N C21 59.6(7) . . . . ?
C05T C05H C05P C02Y -60.3(7) . . . . ?
C05V C060 C56 C05I -60.4(7) . . . . ?
C05V C060 C56 C29 60.2(7) . . . . ?
C05X C04I C05J C05F -66(3) . . . . ?
C05X C04L C05L C05F 66(3) . . . . ?
C060 C05V C7 C02I 59.7(8) . . . . ?
C061 C02Y C05M C05E 62.0(8) . . . . ?
C061 C02Y C05P C05H -59.7(7) . . . . ?
O278 N01J O020 Ag0N -8(2) . . . . ?
C7 C02I C28 C05A -59.6(7) . . . . ?
C7 C02I C29 C56 60.1(7) . . . . ?
C7 C05V C060 C56 -59.8(7) . . . . ?
C123 C027 C031 C02K 61(3) . . . . ?
C123 C027 C031 C03L -59(2) . . . . ?
C123 C02Q C035 C02X -60(3) . . . . ?
C123 C02Q C035 C03L 60(2) . . . . ?
C28 C02I C7 C05V 60.4(8) . . . . ?
C28 C02I C29 C56 -60.2(7) . . . . ?
C28 C05A C05I C56 60.4(7) . . . . ?
C28 C05A C05O C05V -61.2(8) . . . . ?
C29 C02I C7 C05V -59.8(8) . . . . ?
C29 C02I C28 C05A 60.7(7) . . . . ?
C21 C04V C05E C05M 63.4(9) . . . . ?
C21 C04V C05E C05T -57.5(9) . . . . ?
C35 C02I C33 C128 59.3(8) . . . . ?
C35 C02I C83 C78 -59.2(9) . . . . ?
C35 C30 C39 C78 60.0(9) . . . . ?
C35 C30 C44 C128 -59.4(8) . . . . ?
C30 C39 C78 C83 -60.1(8) . . . . ?
C30 C39 C78 C89 59.5(9) . . . . ?
C30 C44 C128 C33 60.5(8) . . . . ?
C30 C44 C128 C89 -59.6(8) . . . . ?
C33 C02I C35 C30 -59.6(9) . . . . ?
C33 C02I C83 C78 61.2(8) . . . . ?
C39 C30 C44 C128 59.3(8) . . . . ?
C39 C78 C83 C02I 59.3(8) . . . . ?
C39 C78 C89 C128 -58.3(9) . . . . ?
C44 C30 C39 C78 -59.0(8) . . . . ?
C78 C89 C128 C33 -62.2(9) . . . . ?
C78 C89 C128 C44 58.6(9) . . . . ?
C83 C02I C35 C30 60.0(8) . . . . ?
C83 C02I C33 C128 -60.4(8) . . . . ?
C83 C78 C89 C128 62.1(9) . . . . ?
C89 C78 C83 C02I -61.7(9) . . . . ?
Ag1 S014 C01X C01P 66.1(14) . . . . ?
Ag1 S014 C01X C02M -173.0(12) . . . . ?
Ag1 S014 C01X C046 -57.8(14) . . . . ?
Ag1 S019 C01O C028 -32.9(14) . . . . ?
Ag1 S019 C01O C02F -151.8(11) . . . . ?
Ag1 S019 C01O C03O 91.0(12) . . . . ?

loop_
_platon_missing_refln_index_h
_platon_missing_refln_index_k
_platon_missing_refln_index_l
_platon_missing_refln_theta
2 0 0 2.404
4 0 0 4.812
1 1 0 2.343
3 1 0 4.131
0 2 0 4.025
2 2 0 4.690
3 3 0 7.045
0 4 0 8.070
6 4 0 10.866
3 5 0 10.744
15 5 0 21.112
6 6 0 14.200
0 8 0 16.306
6 10 0 21.891
-3 1 1 3.991
-1 1 1 2.384
1 1 1 2.648
3 1 1 4.464
-8 2 1 10.258
-4 2 1 6.134
-2 2 1 4.640
0 2 1 4.131
2 2 1 4.919
-1 3 1 6.179
1 3 1 6.286
-6 4 1 10.718
1 5 1 10.255
15 5 1 21.391
0 6 1 12.193
-6 8 1 17.826
-2 8 1 16.477
6 10 1 22.012
-4 0 2 4.612
-2 0 2 2.561
0 0 2 1.853
2 0 2 3.446
4 0 2 5.652
-3 1 2 4.064
-1 1 2 2.757
1 1 2 3.203
3 1 2 4.951
-4 2 2 6.127
-2 2 2 4.773
0 2 2 4.433
2 2 2 5.302
8 2 2 11.143
-9 3 2 12.124
-3 3 2 7.006
-4 4 2 9.310
-2 4 2 8.472
-3 5 2 10.718
-1 5 2 10.285
15 5 2 21.711
-6 6 2 14.033
-2 6 2 12.431
-6 8 2 17.784
-4 8 2 16.981
6 8 2 18.256
-3 1 3 4.339
-1 1 3 3.352
1 1 3 3.902
3 1 3 5.552
-6 2 3 8.022
-4 2 3 6.261
-2 2 3 5.076
0 2 3 4.895
2 2 3 5.811
-9 3 3 12.053
-6 4 3 10.666
-5 5 3 11.698
-4 0 4 5.127
-2 0 4 3.771
0 0 4 3.709
2 0 4 4.988
-3 1 4 4.782
-1 1 4 4.074
1 1 4 4.682
-6 2 4 8.149
-4 2 4 6.525
-2 2 4 5.520
0 2 4 5.477
-7 5 4 13.035
-3 1 5 5.351
-1 1 5 4.867
1 1 5 5.510
-12 2 5 14.497
-4 2 5 6.906
-7 5 5 13.157
-4 0 6 6.183
-2 0 6 5.367
0 0 6 5.568
-3 1 6 6.011
-1 1 6 5.702
-7 5 6 13.344
-8 6 6 15.587
-9 9 6 21.464
-3 1 7 6.736
-7 5 7 13.595
-8 6 7 15.784
-8 8 7 19.230
-7 5 8 13.907
-8 6 8 16.034
-8 8 8 19.441
-7 5 9 14.274
-8 6 9 16.337
-8 8 9 19.698
-9 9 9 21.990
-6 0 10 9.950
-2 2 10 9.770
-7 5 10 14.695
-8 6 10 16.689
-8 8 10 19.999
-9 9 10 22.249
-8 6 11 17.089
-8 8 11 20.342
-9 9 11 22.547
-6 0 12 11.381
-8 8 12 20.725
-8 8 13 21.148
-8 8 16 22.630

_platon_squeeze_details          
;
TITL 1_a.res in C2/c
CELL   38.5120   21.9660   49.9423     90.00    107.33     90.00
SPGR C2/c
# Solvent Accessible Volume =     11873
# Electrons Found in S.A.V. =      2998
# Note: Atoms in Void are Labelled as Cxxx and Qxxx for all Others
C101 0.863 0.132 0.327 !      17.94 eA-3
C102 0.925 0.064 0.355 !      14.99 eA-3
C103 0.855 0.271 0.371 !      12.97 eA-3
C104 0.515 0.182 0.038 !      10.67 eA-3
C105 0.385 0.451 0.027 !      10.51 eA-3
C106 0.891 0.383 0.359 !      10.08 eA-3
C107 0.978 0.415 0.995 !       9.73 eA-3
C108 0.210 0.399 0.962 !       9.65 eA-3
C109 0.439 0.485 0.004 !       8.92 eA-3
C110 0.133 0.382 0.950 !       8.68 eA-3
C111 0.424 0.148 0.480 !       6.66 eA-3
C112 0.603 0.397 0.476 !       4.98 eA-3
C113 0.092 0.131 0.157 !       4.62 eA-3
C114 0.078 0.015 0.480 !       4.25 eA-3
Q115 0.302 0.299 0.476 !       4.14 eA-3
C116 0.864 0.318 0.348 !       3.83 eA-3
Q117 0.267 0.375 0.512 !       3.52 eA-3
C118 0.549 0.142 0.026 !       3.23 eA-3
C119 0.382 0.289 0.165 !       3.18 eA-3
C120 0.169 0.437 0.957 !       3.13 eA-3
Q121 0.188 0.335 0.480 !       3.03 eA-3
Q122 0.250 0.250 0.500 !       2.85 eA-3
Q123 0.671 0.351 0.793 !       2.81 eA-3
Q124 0.211 0.156 0.300 !       2.70 eA-3
C125 0.569 0.273 0.438 !       2.57 eA-3
Q126 0.814 0.131 0.194 !       2.47 eA-3
C127 0.390 0.320 0.193 !       2.43 eA-3
C128 0.544 0.259 0.387 !       2.43 eA-3
C129 0.433 0.245 0.074 !       2.37 eA-3
C130 0.964 0.157 0.819 !       2.33 eA-3
Q131 0.805 0.154 0.191 !       2.29 eA-3
Q132 0.815 0.171 0.195 !       2.27 eA-3
Q133 0.207 0.368 0.343 !       2.26 eA-3
C134 0.881 0.226 0.680 !       2.24 eA-3
Q135 0.812 0.132 0.218 !       2.20 eA-3
Q136 0.271 0.126 0.637 !       2.20 eA-3
C137 0.476 0.056 0.312 !       2.12 eA-3
Q138 0.623 0.311 0.874 !       2.11 eA-3
C139 0.502 0.038 0.187 !       2.11 eA-3
C140 0.594 0.187 0.247 !       2.09 eA-3
C141 0.906 0.313 0.753 !       2.09 eA-3
C142 0.988 0.477 0.686 !       2.07 eA-3
C143 0.108 0.234 0.762 !       2.07 eA-3
C144 0.095 0.295 0.726 !       2.05 eA-3
C145 1.004 0.156 0.762 !       1.99 eA-3
Q146 0.954 0.435 0.106 !       1.98 eA-3
C147 0.387 0.319 0.206 !       1.97 eA-3
C148 0.427 0.275 0.024 !       1.94 eA-3
C149 0.475 0.241 0.117 !       1.93 eA-3
Q150 0.173 0.220 0.289 !       1.92 eA-3
C151 0.913 0.186 0.527 !       1.90 eA-3
C152 0.613 0.305 0.276 !       1.89 eA-3
C153 0.428 0.249 0.042 !       1.89 eA-3
Q154 0.818 0.405 0.946 !       1.87 eA-3
C155 0.991 0.424 0.808 !       1.86 eA-3
Q156 0.966 0.460 0.573 !       1.86 eA-3
Q157 0.103 0.053 0.503 !       1.82 eA-3
C158 0.563 0.265 0.206 !       1.82 eA-3
C159 0.503 0.109 0.293 !       1.81 eA-3
C160 0.554 0.177 0.372 !       1.81 eA-3
C161 0.568 0.236 0.445 !       1.81 eA-3
Q162 0.543 0.077 0.946 !       1.80 eA-3
C163 0.472 0.203 0.134 !       1.80 eA-3
C164 1.004 0.451 0.738 !       1.80 eA-3
Q165 0.712 0.193 0.039 !       1.79 eA-3
C166 0.580 0.202 0.238 !       1.78 eA-3
C167 0.524 0.349 0.198 !       1.78 eA-3
C168 0.994 0.164 0.753 !       1.77 eA-3
Q169 0.939 0.433 0.239 !       1.77 eA-3
Q170 0.073 0.485 0.933 !       1.74 eA-3
C171 0.869 0.148 0.351 !       1.72 eA-3
C172 0.994 0.483 0.718 !       1.72 eA-3
C173 0.576 0.228 0.218 !       1.71 eA-3
C174 0.088 0.158 0.137 !       1.71 eA-3
Q175 0.784 0.243 0.029 !       1.71 eA-3
Q176 0.296 0.164 0.552 !       1.70 eA-3
C177 0.906 0.212 0.507 !       1.70 eA-3
C178 0.420 0.188 0.071 !       1.70 eA-3
C179 0.560 0.242 0.364 !       1.70 eA-3
Q180 0.782 0.250 0.089 !       1.68 eA-3
Q181 0.280 0.290 0.492 !       1.68 eA-3
Q182 0.740 0.134 0.976 !       1.67 eA-3
C183 0.408 0.225 0.294 !       1.67 eA-3
Q184 0.380 0.140 0.606 !       1.66 eA-3
Q185 0.880 0.640 0.606 !       1.66 eA-3
C186 0.502 0.344 0.207 !       1.65 eA-3
C187 0.598 0.270 0.340 !       1.65 eA-3
Q188 0.379 0.221 0.449 !       1.64 eA-3
C189 0.886 0.241 0.713 !       1.64 eA-3
C190 0.500 0.063 0.249 !       1.63 eA-3
Q191 0.686 0.125 0.061 !       1.63 eA-3
C192 0.568 0.195 0.399 !       1.63 eA-3
Q193 0.760 0.172 0.082 !       1.63 eA-3
Q194 0.775 0.346 0.133 !       1.62 eA-3
C195 0.917 0.318 0.749 !       1.62 eA-3
C196 0.552 0.228 0.382 !       1.61 eA-3
C197 0.110 0.228 0.739 !       1.61 eA-3
Q198 0.851 0.134 0.123 !       1.60 eA-3
Q199 0.600 0.156 0.015 !       1.60 eA-3
;
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.000 0.499 0.710 5831 1512 ' '
2 0.192 0.025 0.258 13 0 ' '
3 0.192 0.975 0.758 13 0 ' '
4 0.500 0.001 0.072 5831 1512 ' '
5 0.308 0.475 0.742 13 0 ' '
6 0.308 0.525 0.242 13 0 ' '
7 0.692 0.475 0.758 13 0 ' '
8 0.692 0.525 0.258 13 0 ' '
9 0.808 0.025 0.242 13 0 ' '
10 0.808 0.975 0.742 13 0 ' '

_platon_squeeze_void_probe_radius 1.20

_olex2_submission_special_instructions 'No special instructions were received'
