# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2021

####################################################################### 
# 
# 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. 
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#######################################################################

data_1_sq
_database_code_depnum_ccdc_archive 'CCDC 2083439'
loop_
_audit_author_name
_audit_author_address
'Xi Xi Kang'
;Anhui University
China
;
_audit_update_record             
;
2021-05-13 deposited with the CCDC.	2021-08-02 downloaded from the CCDC.
;
_audit_creation_date             2021-05-06
_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         'C246 H240 Ag27 P12 S12, 2(C24 H20 B)'
_chemical_formula_sum            'C294 H280 Ag27 B2 P12 S12'
_chemical_formula_weight         7503.63
_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'
B B 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 '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                   18.5850(4)
_cell_length_b                   20.8944(4)
_cell_length_c                   42.1406(7)
_cell_angle_alpha                98.8620(10)
_cell_angle_beta                 95.6380(10)
_cell_angle_gamma                91.5050(10)
_cell_volume                     16076.3(5)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    36971
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      62.500
_cell_measurement_theta_min      4.786
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    14.485
_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            black
_exptl_crystal_density_diffrn    1.550
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             7390
_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  0.0623
_diffrn_reflns_av_unetI/netI     0.0559
_diffrn_reflns_Laue_measured_fraction_full 0.966
_diffrn_reflns_Laue_measured_fraction_max 0.966
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       48
_diffrn_reflns_limit_l_min       -48
_diffrn_reflns_number            106626
_diffrn_reflns_point_group_measured_fraction_full 0.966
_diffrn_reflns_point_group_measured_fraction_max 0.966
_diffrn_reflns_theta_full        62.500
_diffrn_reflns_theta_max         62.500
_diffrn_reflns_theta_min         4.786
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.966
_diffrn_measured_fraction_theta_max 0.966
_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                36971
_reflns_number_total             49530
_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         3.210
_refine_diff_density_min         -3.059
_refine_diff_density_rms         0.236
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     3351
_refine_ls_number_reflns         49530
_refine_ls_number_restraints     2933
_refine_ls_R_factor_all          0.1237
_refine_ls_R_factor_gt           0.0983
_refine_ls_restrained_S_all      1.008
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1809P)²+205.7471P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2733
_refine_ls_wR_factor_ref         0.3127
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C84-C27
 1.44 with sigma of 0.02
 Ag8-C131
 3 with sigma of 0.02
 Ag8-H13A
 2.5 with sigma of 0.02
 C09F-C02Y
 1.44 with sigma of 0.02
 Ag0D-C09F
 3 with sigma of 0.02
 S01E-C09F
 3 with sigma of 0.02
 C09F-Ag18
 3.5 with sigma of 0.02
 C09Q-C054
 1.44 with sigma of 0.02
 Ag10-C09Q = S01C-C09Q = Ag0B-C09Q
 3 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
C08K \\sim C56 \\sim C43 \\sim C08P \\sim C06R \\sim C64 \\sim C08R \\sim C47:
within 3.8A with sigma of 0.01 and sigma for terminal atoms of 0.02
C131 \\sim C61 \\sim C52 \\sim C88 \\sim C99 \\sim C79 \\sim C101: within 3.8A
with sigma of 0.01 and sigma for terminal atoms of 0.02
C67 \\sim C27 \\sim C18 \\sim C81: within 3.8A with sigma of 0.01 and sigma for
terminal atoms of 0.02
C67 \\sim C27 \\sim C18 \\sim C81 \\sim C59 \\sim C185: within 3.8A with sigma
of 0.01 and sigma for terminal atoms of 0.02
C185 \\sim C67 \\sim C27 \\sim C18 \\sim C81 \\sim C59: within 3.8A with sigma
of 0.01 and sigma for terminal atoms of 0.02
C66 \\sim C05F \\sim C092 \\sim C088 \\sim C089 \\sim C213 \\sim C08W: within
3.8A with sigma of 0.01 and sigma for terminal atoms of 0.02
C84 \\sim C27 \\sim C18 \\sim C81 \\sim C59 \\sim C185 \\sim C158 \\sim C67
\\sim S01S \\sim S01L \\sim C08W \\sim C097 \\sim C213 \\sim C089 \\sim C66
\\sim C05F \\sim C092 \\sim C088: within 1.7A with sigma of 0.004 and sigma for
terminal atoms of 0.008
S43 \\sim S01J \\sim C131 \\sim C56 \\sim C08K \\sim C52 \\sim C64 \\sim C88
\\sim C06R \\sim C99 \\sim C08R \\sim C73 \\sim C08P \\sim C79 \\sim C43 \\sim
C61 \\sim C47 \\sim C101: within 1.7A with sigma of 0.004 and sigma for
terminal atoms of 0.008
C0AE \\sim C08J \\sim C03P \\sim C099 \\sim C0AD \\sim C0A8 \\sim P01A \\sim
P016 \\sim C043 \\sim C08Z \\sim C0A4 \\sim C090 \\sim C07F \\sim C052 \\sim
C09Z \\sim C07D \\sim C0A3 \\sim C0AC \\sim C0A1 \\sim C09E \\sim C06F \\sim
C04H \\sim C03B \\sim C08D \\sim C06W \\sim C05L: within 1.7A with sigma of
0.004 and sigma for terminal atoms of 0.008
C09F \\sim S01E \\sim C05V \\sim C0A9 \\sim C066 \\sim C07P \\sim C04J \\sim
C032 \\sim C02Y: within 1.7A with sigma of 0.004 and sigma for terminal atoms
of 0.008
C09Q \\sim C02S \\sim S01C \\sim C09V \\sim C05P \\sim C038 \\sim C06U \\sim
C08S \\sim C054: within 3.8A with sigma of 0.01 and sigma for terminal atoms of
0.02
Uanis(C01Y) \\sim Ueq, Uanis(C01Z) \\sim Ueq, Uanis(C020) \\sim Ueq,
Uanis(C021) \\sim Ueq, Uanis(C022) \\sim Ueq, Uanis(C023) \\sim Ueq,
Uanis(C024) \\sim Ueq, Uanis(C025) \\sim Ueq, Uanis(C026) \\sim Ueq,
Uanis(C027) \\sim Ueq, Uanis(C028) \\sim Ueq, Uanis(C029) \\sim Ueq,
Uanis(C02A) \\sim Ueq, Uanis(C02B) \\sim Ueq, Uanis(C02C) \\sim Ueq,
Uanis(C02D) \\sim Ueq, Uanis(C02E) \\sim Ueq, Uanis(C02F) \\sim Ueq,
Uanis(C02G) \\sim Ueq, Uanis(C02H) \\sim Ueq, Uanis(C02I) \\sim Ueq,
Uanis(C02J) \\sim Ueq, Uanis(C02K) \\sim Ueq, Uanis(C02L) \\sim Ueq,
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(C02U) \\sim Ueq,
Uanis(C02V) \\sim Ueq, Uanis(C02W) \\sim Ueq, Uanis(C02X) \\sim Ueq,
Uanis(C02Y) \\sim Ueq, Uanis(C02Z) \\sim Ueq, Uanis(C032) \\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(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(C03O) \\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(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(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(C050) \\sim Ueq, Uanis(C051) \\sim Ueq, Uanis(C052) \\sim Ueq,
Uanis(C043) \\sim Ueq, Uanis(C08Z) \\sim Ueq, Uanis(C0A4) \\sim Ueq,
Uanis(C090) \\sim Ueq, Uanis(C07F) \\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(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(C05W) \\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(C06C) \\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(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(C07G) \\sim Ueq,
Uanis(C07H) \\sim Ueq, Uanis(C07I) \\sim Ueq, Uanis(C07J) \\sim Ueq,
Uanis(C07K) \\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(C07T) \\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(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(C08Q) \\sim Ueq,
Uanis(C08S) \\sim Ueq, Uanis(C08T) \\sim Ueq, Uanis(C08U) \\sim Ueq,
Uanis(C08W) \\sim Ueq, Uanis(C097) \\sim Ueq, Uanis(C089) \\sim Ueq,
Uanis(C088) \\sim Ueq, Uanis(C092) \\sim Ueq, Uanis(C05F) \\sim Ueq,
Uanis(C091) \\sim Ueq, Uanis(C095) \\sim Ueq, Uanis(C096) \\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(C09O) \\sim Ueq, Uanis(C09P) \\sim Ueq,
Uanis(C09Q) \\sim Ueq, Uanis(C09R) \\sim Ueq, Uanis(C09T) \\sim Ueq,
Uanis(C09V) \\sim Ueq, Uanis(C09W) \\sim Ueq, Uanis(C09X) \\sim Ueq,
Uanis(C09Z) \\sim Ueq, Uanis(C0A0) \\sim Ueq, Uanis(C0A1) \\sim Ueq,
Uanis(C0A3) \\sim Ueq, Uanis(C0A6) \\sim Ueq, Uanis(C0A8) \\sim Ueq,
Uanis(C0A9) \\sim Ueq, Uanis(C0AA) \\sim Ueq, Uanis(C0AC) \\sim Ueq,
Uanis(C0AD) \\sim Ueq, Uanis(C0AE) \\sim Ueq, Uanis(C47) \\sim Ueq, Uanis(C43)
\\sim Ueq, Uanis(C56) \\sim Ueq, Uanis(C64) \\sim Ueq, Uanis(C06R) \\sim Ueq,
Uanis(C08R) \\sim Ueq, Uanis(C08P) \\sim Ueq, Uanis(C82) \\sim Ueq, Uanis(C79)
\\sim Ueq, Uanis(C61) \\sim Ueq, Uanis(C52) \\sim Ueq, Uanis(C88) \\sim Ueq,
Uanis(C99) \\sim Ueq, Uanis(C73) \\sim Ueq, Uanis(C101) \\sim Ueq, Uanis(C131)
\\sim Ueq, Uanis(C66) \\sim Ueq, Uanis(C213) \\sim Ueq, Uanis(C67) \\sim Ueq,
Uanis(C185) \\sim Ueq, Uanis(C59) \\sim Ueq, Uanis(C81) \\sim Ueq, Uanis(C18)
\\sim Ueq, Uanis(C27) \\sim Ueq, Uanis(C84) \\sim Ueq, Uanis(C158) \\sim Ueq:
with sigma of 0.01 and sigma for terminal atoms of 0.02
4. Others
 Sof(Ag8)=1-FVAR(1)
 Sof(Ag10)=FVAR(1)
 Sof(Ag9)=1-FVAR(2)
 Sof(Ag11)=FVAR(2)
 Sof(Ag7)=1-FVAR(3)
 Sof(Ag12)=FVAR(3)
 Sof(Ag4)=1-FVAR(4)
 Sof(Ag13)=FVAR(4)
 Sof(Ag2)=1-FVAR(5)
 Sof(Ag14)=FVAR(5)
 Sof(Ag6)=1-FVAR(6)
 Sof(Ag15)=FVAR(6)
 Sof(Ag1)=1-FVAR(7)
 Sof(Ag16)=FVAR(7)
 Sof(Ag5)=1-FVAR(8)
 Sof(Ag17)=FVAR(8)
 Sof(Ag3)=1-FVAR(9)
 Sof(Ag18)=FVAR(9)
 Fixed Sof: Ag(0.5) S01J(0.5) S01L(0.5) S01S(0.5) C08K(0.5) H08P(0.5)
 H08Q(0.5) H08R(0.5) C08W(0.5) C097(0.5) C089(0.5) H089(0.5) C088(0.5)
 H088(0.5) C092(0.5) H092(0.5) C05F(0.5) S43(0.5) C47(0.5) H47A(0.5) H47B(0.5)
 H47C(0.5) C43(0.5) C56(0.5) C64(0.5) H64(0.5) C06R(0.5) H06R(0.5) C08R(0.5)
 H08V(0.5) C08P(0.5) C79(0.5) C61(0.5) C52(0.5) H52(0.5) C88(0.5) H88(0.5)
 C99(0.5) H99(0.5) C73(0.5) C101(0.5) H10A(0.5) H10B(0.5) H10C(0.5) C131(0.5)
 H13A(0.5) H13B(0.5) H13C(0.5) C66(0.5) H66A(0.5) H66B(0.5) H66C(0.5) C213(0.5)
 H21A(0.5) H21B(0.5) H21C(0.5) C67(0.5) C185(0.5) C59(0.5) H59(0.5) C81(0.5)
 H81(0.5) C18(0.5) H18(0.5) C27(0.5) C84(0.5) H84A(0.5) H84B(0.5) H84C(0.5)
 C158(0.5) H15A(0.5) H15B(0.5) H15C(0.5) Ag19(0.5)
5.a Secondary CH2 refined with riding coordinates:
 C024(H02A,H02B), C02M(H02G,H02H), C035(H03A,H03B), C03F(H03I,H03J), C058(H05A,
 H05B), C06I(H06A,H06B)
5.b Aromatic/amide H refined with riding coordinates:
 C01Y(H01Y), C020(H020), C02A(H02C), C02C(H02D), C02D(H02E), C02E(H02F),
 C02K(H02K), C02L(H02L), C02P(H02P), C02T(H02T), C02V(H02V), C032(H032),
 C036(H036), C037(H037), C038(H038), C039(H039), C03A(H03C), C03B(H03D),
 C03D(H03H), C03E(H03M), C03H(H03K), C03L(H03L), C03N(H03N), C03Q(H03Q),
 C03R(H03R), C03S(H03S), C03T(H03T), C03U(H03U), C03V(H03V), C03Y(H03Y),
 C03Z(H03Z), C044(H044), C045(H045), C047(H047), C048(H048), C049(H049),
 C04A(H04G), C04B(H04H), C04E(H04I), C04G(H04), C04J(H04M), C04K(H04N),
 C04O(H04R), C04P(H04S), C04Q(H04T), C04R(H04U), C04S(H04V), C04T(H7AA),
 C04U(H04W), C04W(H1AA), C04X(H8AA), C04Z(H04Z), C051(H051), C052(H052),
 C08Z(H08Z), C0A4(H0A4), C090(H090), C07F(H07F), C053(H053), C055(H055),
 C057(H057), C059(H059), C05A(H05C), C05C(H05D), C05D(H05E), C05E(H05F),
 C05G(H05G), C05H(H05H), C05I(H05I), C05J(H05J), C05L(H05L), C05M(H05M),
 C05N(H05N), C05O(H05O), C05R(H05R), C05S(H05S), C05T(H05T), C05W(H05W),
 C05X(H05X), C05Y(H05Y), C05Z(H05Z), C061(H061), C062(H062), C063(H063),
 C064(H064), C065(H065), C067(H067), C069(H069), C06C(H06C), C06D(H06D),
 C06F(H06F), C06G(H06G), C06H(H06H), C06J(H06J), C06K(H06K), C06M(H06M),
 C06N(H06N), C06O(H06O), C06P(H06P), C06Q(H06Q), C06S(H06S), C06T(H06T),
 C06U(H06U), C06V(H06V), C06W(H06W), C06X(H06X), C06Z(H06Z), C071(H071),
 C072(H072), C074(H074), C075(H075), C076(H076), C077(H077), C078(H078),
 C079(H079), C07A(H07D), C07B(H07E), C07C(H07G), C07E(H07H), C07G(H9AA),
 C07I(H0BA), C07J(H1BA), C07K(H07K), C07M(H07M), C07N(H07N), C07P(H07P),
 C07Q(H2BA), C07R(H07R), C07S(H07S), C07T(H07), C07W(H07W), C07X(H07X),
 C07Z(H07Z), C080(H080), C081(H081), C082(H082), C083(H083), C084(H084),
 C085(H085), C086(H086), C08A(H08D), C08C(H08H), C08D(H08I), C08E(H08W),
 C08G(H08X), C08H(H08M), C08I(H08N), C08J(H08O), C08L(H08S), C08M(H3BA),
 C08N(H08Y), C08O(H08), C08Q(H2AA), C08S(H08T), C08T(H3AA), C08U(H08U),
 C089(H089), C088(H088), C092(H092), C091(H091), C095(H095), C096(H096),
 C099(H099), C09A(H4AA), C09B(H09D), C09C(H09E), C09D(H09F), C09E(H09G),
 C09G(H4BA), C09H(H09K), C09I(H09L), C09J(H09M), C09K(H09N), C09L(H09O),
 C09M(H5AA), C09N(H6AA), C09O(H09P), C09P(H09Q), C09R(H09U), C09T(H09V),
 C09W(H5BA), C09X(H09Z), C09Z(H09), C0A0(H0A0), C0A1(H0A1), C0A3(H0A3),
 C0A6(H0A6), C0A8(H0A8), C0AA(H0AD), C0AC(H0AE), C0AD(H0AF), C0AE(H0AG),
 C64(H64), C06R(H06R), C08R(H08V), C82(H82), C52(H52), C88(H88), C99(H99),
 C59(H59), C81(H81), C18(H18)
5.c Fitted hexagon refined as free rotating group:
 C052(C043,C08Z,C0A4,C090,C07F), C08W(C097,C089,C088,C092,C05F), C43(C56,C64,
 C06R,C08R,C08P), C79(C61,C52,C88,C99,C73), C67(C185,C59,C81,C18,C27)
5.d Idealised Me refined with riding coordinates:
 C09F(H09H,H09I,H09J), C09Q(H09R,H09S,H09T)
5.e Idealised Me refined as rotating group:
 C02Q(H02I,H02J,H02M), C03C(H03E,H03F,H03G), C041(H04A,H04B,H04C), C042(H04D,
 H04E,H04F), C04F(H04J,H04K,H04L), C04N(H04O,H04P,H04Q), C04V(H04X,H04Y,H),
 C06L(H06E,H06I,H06L), C070(H07A,H07B,H07C), C07U(H07I,H07J,H07L), C07V(H07O,
 H07Q,H07T), C07Y(H07U,H07V,H07Y), C087(H08A,H08B,H08C), C08B(H08E,H08F,H08G),
 C08F(H08J,H08K,H08L), C08K(H08P,H08Q,H08R), C098(H09A,H09B,H09C), C09V(H09W,
 H09X,H09Y), C0A9(H0AA,H0AB,H0AC), C47(H47A,H47B,H47C), C101(H10A,H10B,H10C),
 C131(H13A,H13B,H13C), C66(H66A,H66B,H66C), C213(H21A,H21B,H21C), C84(H84A,H84B,
 H84C), C158(H15A,H15B,H15C)
;
_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 0.55620(6) 0.68838(5) 0.30832(2) 0.0507(2) Uani 1 1 d . . . . .
Ag02 Ag 0.71633(6) 0.70298(5) 0.33419(2) 0.0496(2) Uani 1 1 d . . . . .
Ag03 Ag 0.41653(6) 0.57597(5) 0.32216(3) 0.0507(2) Uani 1 1 d . . . . .
Ag04 Ag 0.49936(6) 0.84849(5) 0.31034(2) 0.0525(3) Uani 1 1 d . . . . .
Ag05 Ag 0.37383(6) 0.89542(5) 0.34229(3) 0.0518(2) Uani 1 1 d . . . . .
Ag06 Ag 0.25980(6) 0.77094(6) 0.26038(3) 0.0570(3) Uani 1 1 d . . . . .
Ag07 Ag 0.50227(6) 0.66341(5) 0.18777(3) 0.0580(3) Uani 1 1 d . . . . .
Ag08 Ag 0.60428(6) 0.78130(5) 0.20662(3) 0.0582(3) Uani 1 1 d . . . . .
Ag09 Ag 0.60299(6) 0.64930(6) 0.24326(3) 0.0570(3) Uani 1 1 d . . . . .
Ag Ag 0.5985(3) 0.7681(2) 0.37121(15) 0.0387(12) Uani 0.5 1 d . . P A 2
Ag0B Ag 0.45645(6) 0.61287(5) 0.25771(3) 0.0573(3) Uani 1 1 d D . . . .
Ag0C Ag 0.48571(8) 0.75152(5) 0.25102(2) 0.0648(3) Uani 1 1 d . . . . .
Ag0D Ag 0.55084(6) 0.88694(5) 0.25058(3) 0.0604(3) Uani 1 1 d D . . . .
Ag1 Ag 0.4497(5) 0.98777(12) 0.30606(10) 0.0492(10) Uani 0.85(4) 1 d . . P A 2
Ag0F Ag 0.38965(6) 0.86629(7) 0.25835(3) 0.0644(3) Uani 1 1 d . . . . .
Ag0G Ag 0.63465(6) 0.79673(6) 0.28995(3) 0.0645(3) Uani 1 1 d . . . . .
Ag2 Ag 0.3930(4) 0.7209(12) 0.2932(10) 0.071(5) Uani 0.43(6) 1 d . . P A 2
Ag0I Ag 0.74020(7) 0.73072(6) 0.24295(3) 0.0656(3) Uani 1 1 d . . . . .
Ag3 Ag 0.6970(5) 0.9154(3) 0.22887(15) 0.035(2) Uani 0.33(3) 1 d . . P A .
Ag0K Ag 0.44864(6) 0.80077(7) 0.18854(3) 0.0696(3) Uani 1 1 d . . . . .
Ag4 Ag 0.3114(2) 0.5624(4) 0.26132(14) 0.0455(12) Uani 0.68(5) 1 d . . P A 2
Ag0M Ag 0.63352(7) 0.60323(5) 0.16629(3) 0.0652(3) Uani 1 1 d . . . . .
Ag5 Ag 0.3499(4) 0.6926(3) 0.20333(9) 0.0353(17) Uani 0.48(4) 1 d . . P A 2
Ag6 Ag 0.2791(4) 0.7944(5) 0.16653(10) 0.0569(13) Uani 0.402(18) 1 d . . P A 2
Ag7 Ag 0.5560(3) 0.9434(3) 0.19247(10) 0.0411(13) Uani 0.535(17) 1 d . . P A .
Ag8 Ag 0.50640(18) 0.52500(8) 0.18035(7) 0.0481(9) Uani 0.634(9) 1 d D . P A 2
Ag9 Ag 0.36430(18) 0.70017(16) 0.13218(4) 0.0403(10) Uani 0.566(9) 1 d . . P A
2
S00S S 0.73792(19) 0.64766(17) 0.27909(8) 0.0498(7) Uani 1 1 d . . . . .
S00T S 0.29828(18) 0.79205(16) 0.31985(8) 0.0477(7) Uani 1 1 d . . . . .
P00U P 0.67868(18) 0.76974(17) 0.42183(8) 0.0463(7) Uani 1 1 d . . . . .
S00V S 0.70552(19) 0.70825(16) 0.18302(8) 0.0504(7) Uani 1 1 d . . . . .
S00W S 0.26658(19) 0.85288(17) 0.22297(8) 0.0489(7) Uani 1 1 d . . . . .
S00X S 0.74920(19) 0.84849(18) 0.26835(9) 0.0531(8) Uani 1 1 d . . . . .
P00Y P 0.32392(19) 0.98558(16) 0.37579(8) 0.0459(7) Uani 1 1 d . . . . .
P00Z P 0.3667(2) 0.47180(17) 0.33253(9) 0.0489(8) Uani 1 1 d . . . . .
S010 S 0.49414(19) 0.84795(16) 0.37118(8) 0.0487(7) Uani 1 1 d . . . . .
P011 P 0.75757(19) 1.01658(17) 0.21845(9) 0.0480(8) Uani 1 1 d . . . . .
S012 S 0.51021(19) 0.65039(17) 0.35874(9) 0.0506(8) Uani 1 1 d . . . . .
P013 P 0.67182(19) 0.51579(16) 0.12674(8) 0.0457(7) Uani 1 1 d . . . . .
P014 P 0.6254(2) 1.02844(18) 0.17014(9) 0.0507(8) Uani 1 1 d . . . . .
P015 P 0.78321(19) 0.68124(17) 0.38435(8) 0.0459(7) Uani 1 1 d . . . . .
P016 P 0.3145(2) 0.72641(18) 0.07930(8) 0.0512(8) Uani 1 1 d . U . . .
P017 P 0.4289(2) 1.07731(17) 0.34942(9) 0.0500(8) Uani 1 1 d . . . . .
S018 S 0.25465(19) 0.65325(17) 0.23350(8) 0.0506(8) Uani 1 1 d . . . . .
P019 P 0.2394(2) 0.48053(18) 0.28087(9) 0.0506(8) Uani 1 1 d . . . . .
P01A P 0.2202(2) 0.82439(18) 0.11660(8) 0.0507(8) Uani 1 1 d . U . . .
P01B P 0.5564(2) 0.42804(17) 0.14892(9) 0.0544(9) Uani 1 1 d . . . . .
S01C S 0.4062(2) 0.5146(2) 0.21778(10) 0.0657(9) Uani 1 1 d D U . . .
S01E S 0.4995(2) 1.0014(2) 0.25355(10) 0.0683(10) Uani 1 1 d D U . . .
S01J S 0.4171(3) 0.5934(3) 0.13966(13) 0.0347(11) Uani 0.5 1 d . U P A 1
S01L S 0.4250(3) 0.9063(3) 0.16980(12) 0.0345(11) Uani 0.5 1 d . U P A 1
S01S S 0.4904(5) 0.8490(4) 0.1440(2) 0.071(2) Uani 0.5 1 d . U P A 2
C01Y C 0.8229(8) 0.5755(7) 0.4159(3) 0.052(3) Uani 1 1 d . U . . .
H01Y H 0.806819 0.598980 0.434299 0.062 Uiso 1 1 calc R . . . .
C01Z C 0.2623(8) 0.7448(6) 0.3751(3) 0.049(3) Uani 1 1 d . U . . .
C020 C 0.4139(9) 0.3438(7) 0.3292(4) 0.059(4) Uani 1 1 d . U . . .
H020 H 0.367650 0.330627 0.319492 0.071 Uiso 1 1 calc R . . . .
C021 C 0.8120(7) 1.0738(6) 0.2501(3) 0.047(3) Uani 1 1 d . U . . .
C022 C 0.1794(8) 0.5113(7) 0.3104(3) 0.054(3) Uani 1 1 d . U . . .
C023 C 0.2366(8) 0.7750(6) 0.3482(3) 0.050(3) Uani 1 1 d . U . . .
C024 C 0.2698(8) 0.8039(6) 0.0811(3) 0.047(3) Uani 1 1 d . U . . .
H02A H 0.306037 0.838144 0.081104 0.057 Uiso 1 1 calc R . . . .
H02B H 0.236304 0.802424 0.061829 0.057 Uiso 1 1 calc R . . . .
C025 C 0.2946(8) 0.9767(7) 0.4148(3) 0.052(3) Uani 1 1 d . U . . .
C026 C 0.4315(8) 0.4083(7) 0.3389(3) 0.052(3) Uani 1 1 d . U . . .
C027 C 0.2451(8) 1.0167(6) 0.3562(3) 0.047(3) Uani 1 1 d . U . . .
C028 C 0.8196(8) 0.9920(6) 0.1892(3) 0.048(3) Uani 1 1 d . U . . .
C029 C -0.0368(8) 1.2109(7) 0.1469(3) 0.054(3) Uani 1 1 d . U . . .
C02A C 0.1853(8) 0.3568(7) 0.2483(4) 0.056(3) Uani 1 1 d . U . . .
H02C H 0.217915 0.338302 0.262130 0.067 Uiso 1 1 calc R . . . .
C02B C 0.3190(8) 0.4829(7) 0.3685(4) 0.055(3) Uani 1 1 d . U . . .
C02C C 0.8578(9) 1.1780(8) 0.2748(4) 0.062(4) Uani 1 1 d . U . . .
H02D H 0.861010 1.222489 0.274806 0.075 Uiso 1 1 calc R . . . .
C02D C 0.5433(8) 1.0243(7) 0.4500(4) 0.057(3) Uani 1 1 d . U . . .
H02E H 0.551074 1.061191 0.465580 0.069 Uiso 1 1 calc R . . . .
C02E C 0.2503(8) 0.9261(7) 0.4168(3) 0.051(3) Uani 1 1 d . U . . .
H02F H 0.235853 0.896818 0.398122 0.061 Uiso 1 1 calc R . . . .
C02F C 0.6987(8) 0.5261(7) 0.0877(4) 0.054(3) Uani 1 1 d . U . . .
C02G C 0.4804(8) 0.9225(7) 0.4296(4) 0.057(3) Uani 1 1 d . U . . .
C02H C 0.7424(8) 0.7543(7) 0.1288(4) 0.055(3) Uani 1 1 d . U . . .
C02I C 0.1817(8) 0.4227(7) 0.2518(4) 0.052(3) Uani 1 1 d . U . . .
C02J C 0.5017(8) 1.1310(7) 0.3694(4) 0.054(3) Uani 1 1 d . U . . .
C02K C 0.8149(9) 1.1384(7) 0.2505(4) 0.057(4) Uani 1 1 d . U . . .
H02K H 0.788095 1.156387 0.234512 0.069 Uiso 1 1 calc R . . . .
C02L C 0.5833(9) 1.1570(7) 0.1719(4) 0.061(4) Uani 1 1 d . U . . .
H02L H 0.626718 1.169601 0.184594 0.073 Uiso 1 1 calc R . . . .
C02M C 0.7308(8) 0.6975(7) 0.4198(3) 0.053(3) Uani 1 1 d . U . . .
H02G H 0.698046 0.660535 0.419546 0.063 Uiso 1 1 calc R . . . .
H02H H 0.764180 0.701187 0.439213 0.063 Uiso 1 1 calc R . . . .
C02N C 0.6380(8) 0.7715(8) 0.4582(4) 0.060(4) Uani 1 1 d . U . . .
C02O C 0.7496(8) 0.4793(7) 0.1443(3) 0.052(3) Uani 1 1 d . U . . .
C02P C 0.0672(10) 0.2584(9) 0.2998(4) 0.070(4) Uani 1 1 d . U . . .
H02P H 0.093783 0.232253 0.285709 0.084 Uiso 1 1 calc R . . . .
C02Q C 0.3400(8) 0.7241(7) 0.3781(4) 0.061(4) Uani 1 1 d . U . . .
H02I H 0.343499 0.682994 0.364692 0.092 Uiso 1 1 calc GR . . . .
H02J H 0.354764 0.720165 0.400198 0.092 Uiso 1 1 calc GR . . . .
H02M H 0.370888 0.755896 0.371410 0.092 Uiso 1 1 calc GR . . . .
C02R C 0.0296(8) 0.2867(7) 0.3543(4) 0.054(3) Uani 1 1 d . U . . .
C02S C 0.4033(10) 0.4348(9) 0.2273(4) 0.071(2) Uani 1 1 d . U . . .
C02T C 0.1412(9) 0.3175(8) 0.2246(4) 0.063(4) Uani 1 1 d . U . . .
H02T H 0.144694 0.272759 0.222759 0.075 Uiso 1 1 calc R . . . .
C02U C 0.7432(8) 0.8392(7) 0.4347(4) 0.054(3) Uani 1 1 d . U . . .
C02V C 0.8725(9) 1.0343(7) 0.1815(4) 0.058(4) Uani 1 1 d . U . . .
H02V H 0.875212 1.077579 0.191124 0.069 Uiso 1 1 calc R . . . .
C02W C 0.8422(8) 0.9120(7) 0.3192(3) 0.050(3) Uani 1 1 d . U . . .
C02X C 0.4864(9) 0.3721(7) 0.1280(4) 0.058(4) Uani 1 1 d . U . . .
C02Y C 0.6174(11) 1.0798(8) 0.2801(5) 0.077(2) Uani 1 1 d D U . . .
C02Z C 0.1630(8) 0.5859(8) 0.1835(4) 0.056(3) Uani 1 1 d . U . . .
C032 C 0.6554(11) 1.1449(9) 0.2846(5) 0.077(2) Uani 1 1 d . U . . .
H032 H 0.699662 1.152886 0.297181 0.092 Uiso 1 1 calc R . . . .
C033 C 0.1685(8) 0.6234(7) 0.2139(4) 0.052(3) Uani 1 1 d . U . . .
C034 C 0.8168(8) 0.5998(7) 0.3874(4) 0.054(3) Uani 1 1 d . U . . .
C035 C 0.6047(8) 0.4483(7) 0.1159(4) 0.053(3) Uani 1 1 d . U . . .
H03A H 0.569557 0.458629 0.099085 0.064 Uiso 1 1 calc R . . . .
H03B H 0.628998 0.410136 0.106923 0.064 Uiso 1 1 calc R . . . .
C036 C 0.5688(8) 1.1321(8) 0.3553(4) 0.058(4) Uani 1 1 d . U . . .
H036 H 0.572840 1.107288 0.335329 0.070 Uiso 1 1 calc R . . . .
C037 C 0.1075(9) 0.2066(8) 0.4318(4) 0.061(4) Uani 1 1 d . U . . .
H037 H 0.064562 0.191996 0.438429 0.073 Uiso 1 1 calc R . . . .
C038 C 0.3477(10) 0.3294(9) 0.2198(4) 0.072(3) Uani 1 1 d . U . . .
H038 H 0.308974 0.301791 0.210068 0.086 Uiso 1 1 calc R . . . .
C039 C 0.3144(8) 1.0219(7) 0.4430(3) 0.054(3) Uani 1 1 d . U . . .
H039 H 0.343240 1.058504 0.442040 0.064 Uiso 1 1 calc R . . . .
C03A C 0.6418(9) 0.7236(8) 0.4780(4) 0.065(4) Uani 1 1 d . U . . .
H03C H 0.668335 0.687235 0.472257 0.078 Uiso 1 1 calc R . . . .
C03B C 0.1799(9) 0.9289(8) 0.0827(4) 0.061(2) Uani 1 1 d . U . . .
H03D H 0.201784 0.907860 0.065246 0.073 Uiso 1 1 calc R . . . .
C03C C 0.6322(8) 0.5509(7) 0.3396(4) 0.062(4) Uani 1 1 d . U . . .
H03E H 0.666731 0.583852 0.336685 0.092 Uiso 1 1 calc GR . . . .
H03F H 0.589293 0.552282 0.325099 0.092 Uiso 1 1 calc GR . . . .
H03G H 0.652632 0.509102 0.335227 0.092 Uiso 1 1 calc GR . . . .
C03D C 0.9426(10) 0.5822(9) 0.2887(4) 0.072(4) Uani 1 1 d . U . . .
H03H H 0.989695 0.598786 0.294868 0.086 Uiso 1 1 calc R . . . .
C03E C -0.0713(10) 1.2367(8) 0.2016(4) 0.071(4) Uani 1 1 d . U . . .
H03M H -0.100544 1.259218 0.215819 0.085 Uiso 1 1 calc R . . . .
C03F C 0.3874(8) 1.0568(7) 0.3849(4) 0.055(3) Uani 1 1 d . U . . .
H03I H 0.425651 1.048710 0.401020 0.066 Uiso 1 1 calc R . . . .
H03J H 0.361910 1.093867 0.394188 0.066 Uiso 1 1 calc R . . . .
C03H C 0.9730(9) 0.7648(8) 0.4309(4) 0.061(4) Uani 1 1 d . U . . .
H03K H 1.008015 0.755490 0.446722 0.073 Uiso 1 1 calc R . . . .
C03I C 0.5670(8) 1.0911(7) 0.1599(3) 0.053(3) Uani 1 1 d . U . . .
C03J C 0.5650(8) 0.9663(7) 0.3971(3) 0.050(3) Uani 1 1 d . U . . .
C03K C 0.7690(9) 0.7239(8) 0.1552(4) 0.064(4) Uani 1 1 d . U . . .
C03L C 0.2244(10) 0.9155(8) 0.4464(4) 0.064(4) Uani 1 1 d . U . . .
H03L H 0.194680 0.879534 0.447370 0.077 Uiso 1 1 calc R . . . .
C03M C 0.6719(9) 1.0118(8) 0.1339(4) 0.060(4) Uani 1 1 d . U . . .
C03N C -0.0624(8) 1.0974(8) 0.0907(4) 0.059(4) Uani 1 1 d . U . . .
H03N H -0.085955 1.099255 0.109315 0.071 Uiso 1 1 calc R . . . .
C03O C 0.8351(8) 0.8760(7) 0.2874(3) 0.051(3) Uani 1 1 d . U . . .
C03P C 0.2487(12) 0.6630(10) 0.0637(5) 0.082(3) Uani 1 1 d . U . . .
C03Q C 0.0677(10) 0.9307(9) 0.2146(4) 0.073(5) Uani 1 1 d . U . . .
H03Q H 0.019492 0.916709 0.209385 0.088 Uiso 1 1 calc R . . . .
C03R C 0.1277(9) 0.4692(8) 0.3204(4) 0.060(4) Uani 1 1 d . U . . .
H03R H 0.124736 0.425242 0.311961 0.072 Uiso 1 1 calc R . . . .
C03S C 0.6839(8) 0.4808(7) 0.0591(3) 0.055(3) Uani 1 1 d . U . . .
H03S H 0.656425 0.443031 0.059246 0.066 Uiso 1 1 calc R . . . .
C03T C 0.9713(9) 0.9298(8) 0.3159(4) 0.062(4) Uani 1 1 d . U . . .
H03T H 1.015759 0.948682 0.325346 0.074 Uiso 1 1 calc R . . . .
C03U C 0.7353(9) 0.8943(8) 0.4210(4) 0.062(4) Uani 1 1 d . U . . .
H03U H 0.698957 0.895235 0.404281 0.075 Uiso 1 1 calc R . . . .
C03V C 0.8678(8) 0.7910(7) 0.3839(3) 0.052(3) Uani 1 1 d . U . . .
H03V H 0.832294 0.799798 0.368212 0.063 Uiso 1 1 calc R . . . .
C03W C 0.6158(10) 0.3775(7) 0.1696(4) 0.063(4) Uani 1 1 d . U . . .
C03X C 0.1673(8) 0.7975(7) 0.3457(4) 0.051(3) Uani 1 1 d . U . . .
C03Y C 0.0418(9) 0.6067(8) 0.2172(4) 0.067(4) Uani 1 1 d . U . . .
H03Y H 0.001009 0.611905 0.228283 0.080 Uiso 1 1 calc R . . . .
C03Z C -0.0256(11) 1.0317(9) 0.0438(5) 0.077(5) Uani 1 1 d . U . . .
H03Z H -0.023021 0.991740 0.030798 0.093 Uiso 1 1 calc R . . . .
C040 C 0.8837(9) 0.6243(8) 0.2873(4) 0.063(4) Uani 1 1 d . U . . .
C041 C 0.2258(10) 0.5742(8) 0.1651(4) 0.069(4) Uani 1 1 d . U . . .
H04A H 0.244941 0.614681 0.160776 0.103 Uiso 1 1 calc GR . . . .
H04B H 0.211101 0.546226 0.145104 0.103 Uiso 1 1 calc GR . . . .
H04C H 0.262270 0.553979 0.177449 0.103 Uiso 1 1 calc GR . . . .
C042 C 0.7794(10) 0.9220(9) 0.3378(4) 0.070(4) Uani 1 1 d . U . . .
H04D H 0.750261 0.954648 0.329927 0.105 Uiso 1 1 calc GR . . . .
H04E H 0.795731 0.935701 0.360181 0.105 Uiso 1 1 calc GR . . . .
H04F H 0.751074 0.882098 0.335350 0.105 Uiso 1 1 calc GR . . . .
C044 C 0.0221(10) 0.3038(8) 0.2882(4) 0.066(4) Uani 1 1 d . U . . .
H044 H 0.022600 0.312955 0.267296 0.079 Uiso 1 1 calc R . . . .
C045 C 0.2179(9) 0.7387(7) 0.3985(4) 0.058(4) Uani 1 1 d . U . . .
H045 H 0.235234 0.720798 0.416503 0.069 Uiso 1 1 calc R . . . .
C046 C 0.6134(8) 0.5622(7) 0.3734(4) 0.055(3) Uani 1 1 d . U . . .
C047 C -0.0781(9) 1.2434(8) 0.1696(4) 0.060(4) Uani 1 1 d . U . . .
H047 H -0.112304 1.271232 0.162694 0.072 Uiso 1 1 calc R . . . .
C048 C 0.2864(10) 0.4310(9) 0.3807(4) 0.073(5) Uani 1 1 d . U . . .
H048 H 0.286723 0.389253 0.369247 0.087 Uiso 1 1 calc R . . . .
C049 C 0.9641(8) 0.8936(7) 0.2847(4) 0.055(3) Uani 1 1 d . U . . .
H049 H 1.004327 0.887893 0.273206 0.065 Uiso 1 1 calc R . . . .
C04A C 0.8355(9) 0.9456(8) 0.4550(4) 0.063(4) Uani 1 1 d . U . . .
H04G H 0.866767 0.981633 0.461720 0.076 Uiso 1 1 calc R . . . .
C04B C 0.7106(11) 1.0608(10) 0.1224(5) 0.082(5) Uani 1 1 d . U . . .
H04H H 0.714276 1.102669 0.133853 0.099 Uiso 1 1 calc R . . . .
C04C C 0.1039(8) 0.2466(7) 0.4076(4) 0.052(3) Uani 1 1 d . U . . .
C04E C 0.3696(9) 1.1316(8) 0.2989(4) 0.064(4) Uani 1 1 d . U . . .
H04I H 0.401539 1.106147 0.287324 0.076 Uiso 1 1 calc R . . . .
C04F C 0.4277(9) 0.8701(8) 0.4343(3) 0.061(4) Uani 1 1 d . U . . .
H04J H 0.451467 0.829780 0.433392 0.092 Uiso 1 1 calc GR . . . .
H04K H 0.388112 0.866096 0.417528 0.092 Uiso 1 1 calc GR . . . .
H04L H 0.409586 0.881003 0.454918 0.092 Uiso 1 1 calc GR . . . .
C04G C 0.0167(9) 1.1721(8) 0.1589(4) 0.062(4) Uani 1 1 d . U . . .
H04 H 0.046446 1.150606 0.144582 0.075 Uiso 1 1 calc R . . . .
C04H C 0.1810(9) 0.9007(8) 0.1119(4) 0.062(2) Uani 1 1 d . U . . .
C04I C 0.5467(9) 0.6077(8) 0.4166(4) 0.063(4) Uani 1 1 d . U . . .
C04J C 0.6231(11) 1.1943(9) 0.2693(5) 0.075(2) Uani 1 1 d . U . . .
H04M H 0.646325 1.235106 0.272309 0.090 Uiso 1 1 calc R . . . .
C04K C 0.1244(9) 1.0655(8) 0.3246(4) 0.069(4) Uani 1 1 d . U . . .
H04N H 0.084471 1.082259 0.314129 0.083 Uiso 1 1 calc R . . . .
C04L C 0.1070(8) 0.6366(7) 0.2310(4) 0.055(3) Uani 1 1 d . U . . .
C04M C 0.1230(8) 0.8845(8) 0.2165(4) 0.055(3) Uani 1 1 d . U . . .
C04N C 0.6058(10) 0.9641(8) 0.3679(4) 0.064(4) Uani 1 1 d . U . . .
H04O H 0.573612 0.972308 0.349887 0.096 Uiso 1 1 calc GR . . . .
H04P H 0.625210 0.921988 0.362987 0.096 Uiso 1 1 calc GR . . . .
H04Q H 0.644592 0.996433 0.372262 0.096 Uiso 1 1 calc GR . . . .
C04O C 0.1828(9) 0.5775(8) 0.3226(4) 0.065(4) Uani 1 1 d . U . . .
H04R H 0.215580 0.605375 0.315648 0.078 Uiso 1 1 calc R . . . .
C04P C 0.5809(8) 1.0179(7) 0.4228(3) 0.055(3) Uani 1 1 d . U . . .
H04S H 0.617384 1.048451 0.421485 0.066 Uiso 1 1 calc R . . . .
C04Q C 0.6509(8) 0.5271(8) 0.3943(4) 0.061(4) Uani 1 1 d . U . . .
H04T H 0.686550 0.499841 0.386945 0.073 Uiso 1 1 calc R . . . .
C04R C 0.8182(10) 0.9267(9) 0.1742(4) 0.072(4) Uani 1 1 d . U . . .
H04U H 0.784610 0.896671 0.178935 0.086 Uiso 1 1 calc R . . . .
C04S C 0.9174(8) 0.7199(8) 0.4192(4) 0.058(4) Uani 1 1 d . U . . .
H04V H 0.914647 0.680644 0.427001 0.069 Uiso 1 1 calc R . . . .
C04T C 0.0725(10) 0.2521(8) 0.3325(4) 0.067(4) Uani 1 1 d . U . . .
H7AA H 0.105593 0.224041 0.340142 0.081 Uiso 1 1 calc R . . . .
C04U C 0.1600(10) 1.0139(8) 0.3085(4) 0.067(4) Uani 1 1 d . U . . .
H04W H 0.143252 0.996000 0.287438 0.080 Uiso 1 1 calc R . . . .
C04V C 0.1340(9) 0.8293(8) 0.3191(4) 0.065(4) Uani 1 1 d . U . . .
H04X H 0.156160 0.871752 0.320386 0.097 Uiso 1 1 calc GR . . . .
H04Y H 0.083074 0.832838 0.320808 0.097 Uiso 1 1 calc GR . . . .
H H 0.141134 0.803807 0.298705 0.097 Uiso 1 1 calc GR . . . .
C04W C 0.0274(10) 1.1643(8) 0.1910(4) 0.065(4) Uani 1 1 d . U . . .
H1AA H 0.064367 1.139198 0.198144 0.078 Uiso 1 1 calc R . . . .
C04X C 0.0180(9) 0.4658(9) 0.4561(4) 0.069(4) Uani 1 1 d . U . . .
H8AA H 0.016318 0.505622 0.469330 0.083 Uiso 1 1 calc R . . . .
C04Y C -0.0421(8) 0.2257(7) 0.3919(4) 0.056(3) Uani 1 1 d . U . . .
C04Z C 0.7822(9) 0.5083(8) 0.1755(4) 0.064(4) Uani 1 1 d . U . . .
H04Z H 0.763334 0.545379 0.186278 0.077 Uiso 1 1 calc R . . . .
C050 C 0.8027(9) 0.5306(8) 0.2697(4) 0.062(4) Uani 1 1 d . U . . .
C051 C 0.9203(10) 1.0122(9) 0.1599(4) 0.068(4) Uani 1 1 d . U . . .
H051 H 0.954896 1.041150 0.155048 0.082 Uiso 1 1 calc R . . . .
C052 C 0.3646(7) 0.7748(5) 0.0257(3) 0.077(2) Uani 1 1 d . U . . .
H052 H 0.341625 0.812988 0.032046 0.092 Uiso 1 1 calc R . . . .
C043 C 0.3630(7) 0.7247(6) 0.0438(2) 0.075(2) Uani 1 1 d G U . . .
C08Z C 0.3973(7) 0.6676(5) 0.0343(3) 0.078(3) Uani 1 1 d G U . . .
H08Z H 0.396258 0.634095 0.046437 0.094 Uiso 1 1 calc R . . . .
C0A4 C 0.4332(7) 0.6607(5) 0.0066(3) 0.082(3) Uani 1 1 d G U . . .
H0A4 H 0.456205 0.622526 0.000255 0.098 Uiso 1 1 calc R . . . .
C090 C 0.4348(7) 0.7108(6) -0.0115(2) 0.082(3) Uani 1 1 d G U . . .
H090 H 0.458863 0.706187 -0.030032 0.098 Uiso 1 1 calc R . . . .
C07F C 0.4005(7) 0.7679(5) -0.0020(3) 0.080(3) Uani 1 1 d G U . . .
H07F H 0.401573 0.801419 -0.014137 0.096 Uiso 1 1 calc R . . . .
C053 C 0.2198(8) 0.9895(8) 0.3239(4) 0.058(4) Uani 1 1 d . U . . .
H053 H 0.243441 0.955309 0.313093 0.070 Uiso 1 1 calc R . . . .
C054 C 0.4613(9) 0.4171(8) 0.2495(4) 0.071(2) Uani 1 1 d D U . . .
C055 C 0.5827(9) 0.5721(8) 0.4369(4) 0.070(4) Uani 1 1 d . U . . .
H055 H 0.570998 0.575022 0.458026 0.083 Uiso 1 1 calc R . . . .
C056 C 0.5618(8) 0.6022(7) 0.3848(4) 0.053(3) Uani 1 1 d . U . . .
C057 C 0.2817(11) 0.5527(10) 0.4136(5) 0.080(5) Uani 1 1 d . U . . .
H057 H 0.280531 0.594576 0.424834 0.096 Uiso 1 1 calc R . . . .
C058 C 0.6949(8) 1.0711(7) 0.2000(3) 0.050(3) Uani 1 1 d . U . . .
H05A H 0.671596 1.096858 0.216942 0.060 Uiso 1 1 calc R . . . .
H05B H 0.722654 1.100639 0.189782 0.060 Uiso 1 1 calc R . . . .
C059 C 0.7408(10) 0.5816(9) 0.0867(4) 0.072(4) Uani 1 1 d . U . . .
H059 H 0.749459 0.612537 0.105130 0.087 Uiso 1 1 calc R . . . .
C05A C 0.0897(10) 0.4087(9) 0.2070(4) 0.073(4) Uani 1 1 d . U . . .
H05C H 0.058836 0.426404 0.192230 0.087 Uiso 1 1 calc R . . . .
C05B C 0.8966(9) 0.8663(8) 0.2707(4) 0.060(4) Uani 1 1 d . U . . .
C05C C 0.2912(9) 1.0122(8) 0.4723(4) 0.064(4) Uani 1 1 d . U . . .
H05D H 0.306665 1.040497 0.491122 0.077 Uiso 1 1 calc R . . . .
C05D C 0.7796(10) 0.9474(9) 0.4314(5) 0.075(5) Uani 1 1 d . U . . .
H05E H 0.772180 0.985152 0.422613 0.090 Uiso 1 1 calc R . . . .
C05E C 0.7107(9) 0.4926(8) 0.0307(4) 0.063(4) Uani 1 1 d . U . . .
H05F H 0.699917 0.463644 0.011614 0.075 Uiso 1 1 calc R . . . .
C05G C 0.2449(9) 0.9599(8) 0.4731(4) 0.063(4) Uani 1 1 d . U . . .
H05G H 0.227100 0.954869 0.492441 0.076 Uiso 1 1 calc R . . . .
C05H C 0.1227(9) 0.7850(8) 0.3701(4) 0.063(4) Uani 1 1 d . U . . .
H05H H 0.074322 0.795667 0.368026 0.075 Uiso 1 1 calc R . . . .
C05I C 0.1482(9) 0.7584(8) 0.3958(4) 0.065(4) Uani 1 1 d . U . . .
H05I H 0.118407 0.753481 0.411881 0.078 Uiso 1 1 calc R . . . .
C05J C 0.0956(9) 0.5591(8) 0.1697(4) 0.067(4) Uani 1 1 d . U . . .
H05J H 0.090122 0.534795 0.149131 0.080 Uiso 1 1 calc R . . . .
C05K C 0.3666(8) 1.1294(7) 0.3311(4) 0.054(3) Uani 1 1 d . U . . .
C05L C 0.1184(9) 0.9938(8) 0.1342(4) 0.063(2) Uani 1 1 d . U . . .
H05L H 0.099110 1.016968 0.151864 0.076 Uiso 1 1 calc R . . . .
C05M C 0.7009(11) 0.2994(9) 0.2069(5) 0.079(5) Uani 1 1 d . U . . .
H05M H 0.731007 0.275760 0.219254 0.094 Uiso 1 1 calc R . . . .
C05N C 0.1721(8) 0.2704(7) 0.4003(4) 0.059(4) Uani 1 1 d . U . . .
H05N H 0.173326 0.299327 0.385662 0.070 Uiso 1 1 calc R . . . .
C05O C 0.8956(11) 1.1517(10) 0.2991(5) 0.080(5) Uani 1 1 d . U . . .
H05O H 0.921993 1.179448 0.315817 0.096 Uiso 1 1 calc R . . . .
C05P C 0.3507(10) 0.3913(9) 0.2143(4) 0.072(2) Uani 1 1 d . U . . .
C05Q C -0.0291(8) 1.1538(8) 0.0850(4) 0.057(4) Uani 1 1 d . U . . .
C05R C 0.4951(9) 0.9765(8) 0.4539(4) 0.064(4) Uani 1 1 d . U . . .
H05R H 0.471909 0.979699 0.472607 0.077 Uiso 1 1 calc R . . . .
C05S C 0.1313(8) 0.4511(7) 0.2314(4) 0.056(3) Uani 1 1 d . U . . .
H05S H 0.125883 0.495657 0.234057 0.068 Uiso 1 1 calc R . . . .
C05T C 0.0573(8) 0.4002(8) 0.4095(4) 0.059(4) Uani 1 1 d . U . . .
H05T H 0.082425 0.396550 0.391319 0.070 Uiso 1 1 calc R . . . .
C05U C 0.5173(8) 0.9192(7) 0.4008(4) 0.057(4) Uani 1 1 d . U . . .
C05V C 0.5512(11) 1.0761(9) 0.2591(5) 0.075(2) Uani 1 1 d . U . . .
C05W C -0.0187(9) 1.1949(8) 0.2128(4) 0.067(4) Uani 1 1 d . U . . .
H05W H -0.014781 1.187861 0.234150 0.080 Uiso 1 1 calc R . . . .
C05X C 0.2366(10) 0.2509(9) 0.4147(5) 0.076(5) Uani 1 1 d . U . . .
H05X H 0.280141 0.264698 0.408325 0.092 Uiso 1 1 calc R . . . .
C05Y C 0.7821(10) 0.4275(9) 0.1289(5) 0.074(5) Uani 1 1 d . U . . .
H05Y H 0.762507 0.409544 0.108147 0.089 Uiso 1 1 calc R . . . .
C05Z C 0.8780(9) 0.4812(8) 0.3906(4) 0.061(4) Uani 1 1 d . U . . .
H05Z H 0.899947 0.442069 0.391708 0.074 Uiso 1 1 calc R . . . .
C060 C -0.1148(8) 1.2479(7) 0.0940(3) 0.056(3) Uani 1 1 d . U . . .
C061 C 0.4242(9) 0.3614(9) 0.1423(4) 0.068(4) Uani 1 1 d . U . . .
H061 H 0.420736 0.382467 0.163172 0.081 Uiso 1 1 calc R . . . .
C062 C 0.0575(10) 0.4599(9) 0.4288(4) 0.073(5) Uani 1 1 d . U . . .
H062 H 0.083093 0.495517 0.424060 0.088 Uiso 1 1 calc R . . . .
C063 C 0.9094(9) 0.9365(8) 0.3325(4) 0.065(4) Uani 1 1 d . U . . .
H063 H 0.914277 0.958638 0.353548 0.078 Uiso 1 1 calc R . . . .
C064 C 0.9779(9) 0.8237(8) 0.4196(4) 0.062(4) Uani 1 1 d . U . . .
H064 H 1.015349 0.853940 0.427720 0.074 Uiso 1 1 calc R . . . .
C065 C 0.7984(8) 0.8394(7) 0.4588(4) 0.054(3) Uani 1 1 d . U . . .
H065 H 0.804087 0.802783 0.468645 0.065 Uiso 1 1 calc R . . . .
C066 C 0.5267(11) 1.1275(9) 0.2458(5) 0.075(2) Uani 1 1 d . U . . .
C067 C 0.8385(9) 0.5631(8) 0.3598(4) 0.062(4) Uani 1 1 d . U . . .
H067 H 0.831458 0.578218 0.340096 0.074 Uiso 1 1 calc R . . . .
C068 C 0.2114(9) 0.9744(8) 0.2286(4) 0.065(4) Uani 1 1 d . U . . .
C069 C 0.1739(10) 0.1877(9) 0.4463(4) 0.074(5) Uani 1 1 d . U . . .
H069 H 0.174094 0.159265 0.461226 0.089 Uiso 1 1 calc R . . . .
C06A C 0.0313(9) 1.2753(8) 0.1086(4) 0.063(4) Uani 1 1 d . U . . .
C06C C 0.6098(10) 0.3781(9) 0.2026(4) 0.069(4) Uani 1 1 d . U . . .
H06C H 0.578089 0.405914 0.212872 0.083 Uiso 1 1 calc R . . . .
C06D C 0.1490(9) 1.0911(8) 0.3558(4) 0.065(4) Uani 1 1 d . U . . .
H06D H 0.124962 1.125208 0.366448 0.078 Uiso 1 1 calc R . . . .
C06E C 0.1956(9) 0.9076(8) 0.2229(4) 0.058(4) Uani 1 1 d . U . . .
C06F C 0.1500(9) 0.9351(8) 0.1369(4) 0.063(2) Uani 1 1 d . U . . .
H06F H 0.150029 0.918716 0.156215 0.075 Uiso 1 1 calc R . . . .
C06G C 0.8636(10) 0.4913(9) 0.2707(4) 0.068(4) Uani 1 1 d . U . . .
H06G H 0.856809 0.446759 0.264099 0.081 Uiso 1 1 calc R . . . .
C06H C 0.9189(10) 0.9508(9) 0.1457(4) 0.072(4) Uani 1 1 d . U . . .
H06H H 0.952443 0.937341 0.131387 0.086 Uiso 1 1 calc R . . . .
C06I C 0.3016(8) 0.4292(7) 0.3005(3) 0.053(3) Uani 1 1 d . U . . .
H06A H 0.273444 0.398024 0.309593 0.064 Uiso 1 1 calc R . . . .
H06B H 0.328097 0.405050 0.284256 0.064 Uiso 1 1 calc R . . . .
C06J C 0.7431(11) 1.0472(10) 0.0941(5) 0.081(5) Uani 1 1 d . U . . .
H06J H 0.768942 1.079876 0.086887 0.098 Uiso 1 1 calc R . . . .
C06K C 0.2743(10) 1.2113(9) 0.3001(5) 0.075(5) Uani 1 1 d . U . . .
H06K H 0.243473 1.237874 0.289908 0.090 Uiso 1 1 calc R . . . .
C06L C 0.6690(10) 0.7792(8) 0.1262(4) 0.068(4) Uani 1 1 d . U . . .
H06E H 0.634743 0.744078 0.117738 0.102 Uiso 1 1 calc GR . . . .
H06I H 0.666852 0.810924 0.111917 0.102 Uiso 1 1 calc GR . . . .
H06L H 0.657698 0.798807 0.147126 0.102 Uiso 1 1 calc GR . . . .
C06M C 0.8539(9) 0.5144(7) 0.4175(4) 0.063(4) Uani 1 1 d . U . . .
H06M H 0.857594 0.497345 0.436655 0.076 Uiso 1 1 calc R . . . .
C06N C 0.4972(10) 0.4286(9) 0.3536(5) 0.074(5) Uani 1 1 d . U . . .
H06N H 0.507845 0.472358 0.361038 0.088 Uiso 1 1 calc R . . . .
C06O C 0.7706(11) 0.5921(9) 0.0582(5) 0.079(5) Uani 1 1 d . U . . .
H06O H 0.801133 0.627921 0.057865 0.094 Uiso 1 1 calc R . . . .
C06P C -0.0169(9) 0.3301(8) 0.3416(4) 0.063(4) Uani 1 1 d . U . . .
H06P H -0.043370 0.356238 0.355632 0.076 Uiso 1 1 calc R . . . .
C06Q C 0.3224(11) 1.1740(9) 0.2830(5) 0.082(5) Uani 1 1 d . U . . .
H06Q H 0.324479 1.176180 0.261220 0.099 Uiso 1 1 calc R . . . .
C06S C 0.9267(9) 0.8360(8) 0.3964(4) 0.064(4) Uani 1 1 d . U . . .
H06S H 0.929914 0.874923 0.388352 0.077 Uiso 1 1 calc R . . . .
C06T C 0.6264(10) 1.1689(9) 0.3709(4) 0.069(4) Uani 1 1 d . U . . .
H06T H 0.669954 1.167241 0.361761 0.083 Uiso 1 1 calc R . . . .
C06U C 0.3989(10) 0.3075(9) 0.2387(4) 0.073(3) Uani 1 1 d . U . . .
H06U H 0.397545 0.264607 0.242214 0.088 Uiso 1 1 calc R . . . .
C06V C 0.0857(11) 0.9936(9) 0.2202(4) 0.073(5) Uani 1 1 d . U . . .
H06V H 0.048921 1.022742 0.219043 0.088 Uiso 1 1 calc R . . . .
C06W C 0.1157(9) 1.0176(8) 0.1057(4) 0.063(2) Uani 1 1 d . U . . .
H06W H 0.092095 1.055674 0.103554 0.076 Uiso 1 1 calc R . . . .
C06X C 0.6227(10) 1.2077(8) 0.3990(4) 0.067(4) Uani 1 1 d . U . . .
H06X H 0.662469 1.234163 0.408525 0.081 Uiso 1 1 calc R . . . .
C06Y C 0.8136(8) 0.5986(8) 0.2789(4) 0.057(3) Uani 1 1 d . U . . .
C06Z C -0.0632(10) 1.0381(9) 0.0706(4) 0.069(4) Uani 1 1 d . U . . .
H06Z H -0.089101 1.002663 0.075249 0.083 Uiso 1 1 calc R . . . .
C070 C 0.1078(10) 0.6755(8) 0.2635(4) 0.069(4) Uani 1 1 d . U . . .
H07A H 0.138481 0.656153 0.278727 0.104 Uiso 1 1 calc GR . . . .
H07B H 0.059521 0.676871 0.269794 0.104 Uiso 1 1 calc GR . . . .
H07C H 0.125861 0.718804 0.263045 0.104 Uiso 1 1 calc GR . . . .
C071 C 0.8532(11) 1.0464(9) 0.2738(5) 0.078(5) Uani 1 1 d . U . . .
H071 H 0.853214 1.001651 0.273137 0.094 Uiso 1 1 calc R . . . .
C072 C 0.2077(9) 1.0679(8) 0.3716(4) 0.065(4) Uani 1 1 d . U . . .
H072 H 0.223102 1.086273 0.392740 0.078 Uiso 1 1 calc R . . . .
C073 C 0.0211(9) 0.3449(7) 0.4161(4) 0.056(3) Uani 1 1 d . U . . .
C074 C -0.0254(10) 0.3361(9) 0.3101(4) 0.070(4) Uani 1 1 d . U . . .
H074 H -0.062015 0.361021 0.302422 0.084 Uiso 1 1 calc R . . . .
C075 C 0.8427(10) 0.3999(8) 0.1421(5) 0.071(4) Uani 1 1 d . U . . .
H075 H 0.863757 0.365171 0.130452 0.085 Uiso 1 1 calc R . . . .
C076 C 0.0844(11) 0.5608(10) 0.3545(4) 0.077(5) Uani 1 1 d . U . . .
H076 H 0.051704 0.578195 0.368515 0.093 Uiso 1 1 calc R . . . .
C077 C 0.0819(11) 0.4940(9) 0.3428(5) 0.076(5) Uani 1 1 d . U . . .
H077 H 0.049391 0.466445 0.350045 0.091 Uiso 1 1 calc R . . . .
C078 C 0.2542(10) 0.4408(10) 0.4090(4) 0.073(5) Uani 1 1 d . U . . .
H078 H 0.235964 0.405462 0.417126 0.088 Uiso 1 1 calc R . . . .
C079 C 0.4675(9) 0.2959(8) 0.3339(4) 0.065(4) Uani 1 1 d . U . . .
H079 H 0.456810 0.251839 0.327501 0.079 Uiso 1 1 calc R . . . .
C07A C 0.0366(10) 0.5698(9) 0.1875(5) 0.074(5) Uani 1 1 d . U . . .
H07D H -0.008271 0.550838 0.178681 0.088 Uiso 1 1 calc R . . . .
C07B C 0.0924(10) 0.3421(9) 0.2038(4) 0.069(4) Uani 1 1 d . U . . .
H07E H 0.062221 0.315144 0.188115 0.083 Uiso 1 1 calc R . . . .
C07C C 0.7909(10) 0.7599(9) 0.1059(5) 0.076(5) Uani 1 1 d . U . . .
H07G H 0.774609 0.777726 0.087741 0.091 Uiso 1 1 calc R . . . .
C07D C 0.1421(11) 0.7681(10) 0.1070(5) 0.082(3) Uani 1 1 d . U . . .
C07E C 0.8415(11) 0.4814(10) 0.1896(5) 0.080(5) Uani 1 1 d . U . . .
H07H H 0.862634 0.499871 0.209948 0.096 Uiso 1 1 calc R . . . .
C07G C -0.0167(9) 0.3528(8) 0.4433(4) 0.063(4) Uani 1 1 d . U . . .
H9AA H -0.041520 0.316945 0.448226 0.075 Uiso 1 1 calc R . . . .
C07H C 0.8666(9) 0.7340(8) 0.3962(4) 0.059(4) Uani 1 1 d . U . . .
C07I C 0.2377(10) 0.2114(8) 0.4382(4) 0.069(4) Uani 1 1 d . U . . .
H0BA H 0.281544 0.201095 0.448502 0.082 Uiso 1 1 calc R . . . .
C07J C -0.0362(10) 0.1564(8) 0.3869(4) 0.071(4) Uani 1 1 d . U . . .
H1BA H 0.008669 0.138799 0.384192 0.085 Uiso 1 1 calc R . . . .
C07K C 0.3153(12) 0.5413(9) 0.3860(5) 0.080(5) Uani 1 1 d . U . . .
H07K H 0.336837 0.576452 0.378910 0.096 Uiso 1 1 calc R . . . .
C07M C 0.2492(11) 0.5006(9) 0.4248(4) 0.076(5) Uani 1 1 d . U . . .
H07M H 0.224313 0.507546 0.443038 0.091 Uiso 1 1 calc R . . . .
C07N C 0.5984(10) 0.8249(9) 0.4687(4) 0.076(5) Uani 1 1 d . U . . .
H07N H 0.594471 0.857718 0.456086 0.091 Uiso 1 1 calc R . . . .
C07O C 0.8397(9) 0.7030(8) 0.1592(4) 0.064(4) Uani 1 1 d . U . . .
C07P C 0.5638(11) 1.1845(9) 0.2518(4) 0.075(2) Uani 1 1 d . U . . .
H07P H 0.544718 1.218823 0.242579 0.090 Uiso 1 1 calc R . . . .
C07Q C -0.0189(10) 0.4107(8) 0.4631(4) 0.067(4) Uani 1 1 d . U . . .
H2BA H -0.044581 0.413824 0.481069 0.080 Uiso 1 1 calc R . . . .
C07R C 0.8702(11) 0.4251(10) 0.1727(5) 0.082(5) Uani 1 1 d . U . . .
H07R H 0.908462 0.405325 0.182682 0.098 Uiso 1 1 calc R . . . .
C07S C 0.3678(9) 0.2919(8) 0.0965(4) 0.065(4) Uani 1 1 d . U . . .
H07S H 0.326881 0.268487 0.085884 0.079 Uiso 1 1 calc R . . . .
C07T C -0.1221(11) 1.2884(9) 0.0707(4) 0.073(5) Uani 1 1 d . U . . .
H07 H -0.079832 1.305479 0.064516 0.088 Uiso 1 1 calc R . . . .
C07U C 0.1040(10) 0.8134(9) 0.2094(5) 0.082(5) Uani 1 1 d . U . . .
H07I H 0.052423 0.806523 0.207599 0.123 Uiso 1 1 calc GR . . . .
H07J H 0.125707 0.792636 0.226587 0.123 Uiso 1 1 calc GR . . . .
H07L H 0.121854 0.795252 0.189482 0.123 Uiso 1 1 calc GR . . . .
C07V C 0.7243(11) 0.5008(9) 0.2601(5) 0.080(5) Uani 1 1 d . U . . .
H07O H 0.726275 0.455195 0.252463 0.119 Uiso 1 1 calc GR . . . .
H07Q H 0.700955 0.521565 0.243293 0.119 Uiso 1 1 calc GR . . . .
H07T H 0.697386 0.507231 0.278554 0.119 Uiso 1 1 calc GR . . . .
C07W C 0.6354(10) 0.5323(8) 0.4271(4) 0.067(4) Uani 1 1 d . U . . .
H07W H 0.660810 0.509043 0.441290 0.080 Uiso 1 1 calc R . . . .
C07X C 0.5324(10) 1.2052(9) 0.1646(5) 0.074(5) Uani 1 1 d . U . . .
H07X H 0.542306 1.249027 0.172180 0.089 Uiso 1 1 calc R . . . .
C07Y C 0.9002(10) 0.6925(10) 0.2969(5) 0.081(5) Uani 1 1 d . U . . .
H07U H 0.949981 0.699170 0.305666 0.121 Uiso 1 1 calc GR . . . .
H07V H 0.869655 0.709688 0.312948 0.121 Uiso 1 1 calc GR . . . .
H07Y H 0.892120 0.714180 0.278436 0.121 Uiso 1 1 calc GR . . . .
C07Z C 0.6506(11) 0.3375(9) 0.2204(5) 0.082(5) Uani 1 1 d . U . . .
H07Z H 0.642869 0.336808 0.241821 0.099 Uiso 1 1 calc R . . . .
C080 C 0.5031(11) 1.0740(10) 0.1420(5) 0.084(5) Uani 1 1 d . U . . .
H080 H 0.491489 1.030462 0.134118 0.100 Uiso 1 1 calc R . . . .
C081 C 0.1542(11) 1.0173(9) 0.2275(5) 0.081(5) Uani 1 1 d . U . . .
H081 H 0.163884 1.061819 0.231707 0.097 Uiso 1 1 calc R . . . .
C082 C 0.6064(11) 0.7289(10) 0.5066(5) 0.080(5) Uani 1 1 d . U . . .
H082 H 0.610258 0.696966 0.519732 0.096 Uiso 1 1 calc R . . . .
C083 C 0.0212(10) 1.3422(8) 0.1142(4) 0.069(4) Uani 1 1 d . U . . .
H083 H -0.024988 1.357690 0.115863 0.082 Uiso 1 1 calc R . . . .
C084 C 0.9281(10) 0.5152(9) 0.2804(4) 0.071(4) Uani 1 1 d . U . . .
H084 H 0.965966 0.487228 0.281931 0.086 Uiso 1 1 calc R . . . .
C085 C 0.7064(10) 0.2967(9) 0.1735(5) 0.074(5) Uani 1 1 d . U . . .
H085 H 0.739576 0.269745 0.163703 0.089 Uiso 1 1 calc R . . . .
C086 C 0.3212(9) 1.1713(8) 0.3475(4) 0.067(4) Uani 1 1 d . U . . .
H086 H 0.322690 1.175041 0.369830 0.081 Uiso 1 1 calc R . . . .
C087 C 0.4893(9) 0.6530(8) 0.4297(4) 0.064(4) Uani 1 1 d . U . . .
H08A H 0.442619 0.638697 0.418669 0.096 Uiso 1 1 calc GR . . . .
H08B H 0.500576 0.696317 0.426293 0.096 Uiso 1 1 calc GR . . . .
H08C H 0.488574 0.652303 0.452424 0.096 Uiso 1 1 calc GR . . . .
C08A C 0.8704(10) 0.5047(8) 0.3613(4) 0.070(4) Uani 1 1 d . U . . .
H08D H 0.886687 0.481268 0.343023 0.084 Uiso 1 1 calc R . . . .
C08B C 0.2882(10) 1.0011(9) 0.2362(5) 0.079(5) Uani 1 1 d . U . . .
H08E H 0.296453 1.019354 0.258705 0.118 Uiso 1 1 calc GR . . . .
H08F H 0.296269 1.034207 0.223351 0.118 Uiso 1 1 calc GR . . . .
H08G H 0.320820 0.966901 0.231546 0.118 Uiso 1 1 calc GR . . . .
C08C C 0.7524(10) 0.5467(8) 0.0312(4) 0.067(4) Uani 1 1 d . U . . .
H08H H 0.769878 0.553665 0.012016 0.081 Uiso 1 1 calc R . . . .
C08D C 0.1476(9) 0.9856(8) 0.0802(4) 0.062(2) Uani 1 1 d . U . . .
H08I H 0.147067 1.002807 0.061101 0.074 Uiso 1 1 calc R . . . .
C08E C -0.2468(10) 1.2403(9) 0.0889(5) 0.074(5) Uani 1 1 d . U . . .
H08W H -0.289812 1.224423 0.094908 0.089 Uiso 1 1 calc R . . . .
C08F C 0.8942(10) 0.8289(9) 0.2371(4) 0.072(4) Uani 1 1 d . U . . .
H08J H 0.865438 0.789487 0.235669 0.108 Uiso 1 1 calc GR . . . .
H08K H 0.942417 0.818687 0.232374 0.108 Uiso 1 1 calc GR . . . .
H08L H 0.873125 0.854605 0.221901 0.108 Uiso 1 1 calc GR . . . .
C08G C 0.0089(11) 1.0883(9) 0.0366(5) 0.079(5) Uani 1 1 d . U . . .
H08X H 0.032434 1.086039 0.018019 0.095 Uiso 1 1 calc R . . . .
C08H C 0.6628(10) 0.3340(8) 0.1547(4) 0.070(4) Uani 1 1 d . U . . .
H08M H 0.665226 0.329650 0.132571 0.084 Uiso 1 1 calc R . . . .
C08I C 0.8453(9) 0.8913(8) 0.4687(4) 0.059(4) Uani 1 1 d . U . . .
H08N H 0.883426 0.889674 0.484566 0.071 Uiso 1 1 calc R . . . .
C08J C 0.2411(12) 0.6081(10) 0.0769(5) 0.087(3) Uani 1 1 d . U . . .
H08O H 0.269353 0.603991 0.095891 0.105 Uiso 1 1 calc R . . . .
C08K C 0.3394(16) 0.4730(14) 0.1028(7) 0.055(4) Uani 0.5 1 d . U P A 1
H08P H 0.358130 0.460824 0.122952 0.082 Uiso 0.5 1 calc GR . P A 1
H08Q H 0.318607 0.435254 0.088555 0.082 Uiso 0.5 1 calc GR . P A 1
H08R H 0.302903 0.504144 0.106471 0.082 Uiso 0.5 1 calc GR . P A 1
C08L C 0.2725(12) 1.2087(10) 0.3306(5) 0.088(6) Uani 1 1 d . U . . .
H08S H 0.238378 1.232068 0.341676 0.106 Uiso 1 1 calc R . . . .
C08M C -0.1105(11) 0.2466(9) 0.3939(5) 0.078(5) Uani 1 1 d . U . . .
H3BA H -0.117817 0.290900 0.396161 0.094 Uiso 1 1 calc R . . . .
C08N C 0.1525(12) 1.3660(10) 0.1156(5) 0.087(6) Uani 1 1 d . U . . .
H08Y H 0.192024 1.395299 0.118398 0.105 Uiso 1 1 calc R . . . .
C08O C 0.1008(10) 1.2570(9) 0.1064(5) 0.076(5) Uani 1 1 d . U . . .
H08 H 0.109122 1.212899 0.102663 0.091 Uiso 1 1 calc R . . . .
C08Q C -0.1826(10) 1.2230(9) 0.1026(5) 0.074(5) Uani 1 1 d . U . . .
H2AA H -0.182045 1.194730 0.117634 0.089 Uiso 1 1 calc R . . . .
C08S C 0.4569(10) 0.3521(9) 0.2539(4) 0.072(3) Uani 1 1 d . U . . .
H08T H 0.493314 0.336999 0.267219 0.086 Uiso 1 1 calc R . . . .
C08T C -0.2485(12) 1.2823(10) 0.0656(5) 0.087(6) Uani 1 1 d . U . . .
H3AA H -0.292803 1.294578 0.056698 0.105 Uiso 1 1 calc R . . . .
C08U C 0.4300(11) 0.2968(10) 0.0811(5) 0.082(5) Uani 1 1 d . U . . .
H08U H 0.433753 0.272449 0.060924 0.099 Uiso 1 1 calc R . . . .
C08W C 0.4159(13) 0.9128(11) 0.1274(4) 0.058(2) Uani 0.5 1 d . U P A 1
C097 C 0.4539(11) 0.8876(10) 0.1018(5) 0.058(2) Uani 0.5 1 d G U P A 1
C089 C 0.4413(12) 0.9091(11) 0.0722(4) 0.058(2) Uani 0.5 1 d G U P A 1
H089 H 0.466761 0.892227 0.055112 0.070 Uiso 0.5 1 calc R . P A 1
C088 C 0.3908(13) 0.9558(11) 0.0682(4) 0.058(2) Uani 0.5 1 d G U P A 1
H088 H 0.382377 0.970196 0.048409 0.069 Uiso 0.5 1 calc R . P A 1
C092 C 0.3528(11) 0.9810(9) 0.0938(5) 0.058(2) Uani 0.5 1 d G U P A 1
H092 H 0.318937 1.012276 0.091092 0.069 Uiso 0.5 1 calc R . P A 1
C05F C 0.3653(12) 0.9595(11) 0.1234(4) 0.057(2) Uani 0.5 1 d G U P A 1
B08Y B 0.0268(9) 0.2741(9) 0.3919(4) 0.052(4) Uani 1 1 d . . . . .
C091 C -0.0967(11) 0.1153(10) 0.3862(5) 0.084(5) Uani 1 1 d . U . . .
H091 H -0.090139 0.070988 0.384174 0.101 Uiso 1 1 calc R . . . .
C095 C -0.1859(12) 1.3051(10) 0.0561(5) 0.088(6) Uani 1 1 d . U . . .
H095 H -0.186907 1.331330 0.040155 0.106 Uiso 1 1 calc R . . . .
C096 C 0.3682(11) 0.3217(10) 0.1273(5) 0.081(5) Uani 1 1 d . U . . .
H096 H 0.328851 0.314870 0.138544 0.097 Uiso 1 1 calc R . . . .
C098 C 0.8705(11) 0.6705(9) 0.1852(5) 0.086(6) Uani 1 1 d . U . . .
H09A H 0.879244 0.701298 0.204700 0.129 Uiso 1 1 calc GR . . . .
H09B H 0.915301 0.652212 0.179640 0.129 Uiso 1 1 calc GR . . . .
H09C H 0.837306 0.636683 0.188349 0.129 Uiso 1 1 calc GR . . . .
C099 C 0.1994(11) 0.6652(10) 0.0357(5) 0.082(3) Uani 1 1 d . U . . .
H099 H 0.199857 0.702113 0.025912 0.098 Uiso 1 1 calc R . . . .
C09A C 0.0082(11) 1.1476(9) 0.0573(4) 0.076(5) Uani 1 1 d . U . . .
H4AA H 0.032834 1.183702 0.052537 0.092 Uiso 1 1 calc R . . . .
C09B C 0.8960(13) 1.0896(10) 0.2996(5) 0.095(6) Uani 1 1 d . U . . .
H09D H 0.923027 1.073215 0.316006 0.114 Uiso 1 1 calc R . . . .
C09C C 0.5670(12) 0.7815(11) 0.5142(5) 0.087(5) Uani 1 1 d . U . . .
H09E H 0.540536 0.783487 0.531927 0.104 Uiso 1 1 calc R . . . .
C09D C 0.5618(11) 1.2082(10) 0.4134(5) 0.083(5) Uani 1 1 d . U . . .
H09F H 0.561462 1.231604 0.434028 0.100 Uiso 1 1 calc R . . . .
C09E C 0.0893(11) 0.7734(10) 0.0824(5) 0.086(3) Uani 1 1 d . U . . .
H09G H 0.090968 0.810086 0.072448 0.103 Uiso 1 1 calc R . . . .
C09F C 0.6293(9) 1.0166(7) 0.2941(4) 0.106(4) Uani 1 1 d D U . . .
H09H H 0.670224 0.995703 0.285600 0.159 Uiso 1 1 calc R . . . .
H09I H 0.586991 0.988349 0.288329 0.159 Uiso 1 1 calc R . . . .
H09J H 0.638190 1.026465 0.317242 0.159 Uiso 1 1 calc R . . . .
C09G C -0.1650(13) 0.1364(11) 0.3884(6) 0.097(6) Uani 1 1 d . U . . .
H4BA H -0.205045 0.108041 0.387108 0.116 Uiso 1 1 calc R . . . .
C09H C 0.8602(12) 0.7409(10) 0.1087(5) 0.088(6) Uani 1 1 d . U . . .
H09K H 0.890720 0.745553 0.092884 0.106 Uiso 1 1 calc R . . . .
C09I C 0.7007(14) 0.9380(12) 0.0872(6) 0.101(7) Uani 1 1 d . U . . .
H09L H 0.699472 0.896188 0.075690 0.121 Uiso 1 1 calc R . . . .
C09J C 0.7377(12) 0.9872(10) 0.0772(5) 0.085(5) Uani 1 1 d . U . . .
H09M H 0.759555 0.978957 0.058125 0.102 Uiso 1 1 calc R . . . .
C09K C 0.1373(12) 0.6009(10) 0.3448(5) 0.088(6) Uani 1 1 d . U . . .
H09N H 0.141502 0.644530 0.353728 0.106 Uiso 1 1 calc R . . . .
C09L C 0.4980(11) 1.1744(10) 0.3982(5) 0.081(5) Uani 1 1 d . U . . .
H09O H 0.454269 1.180601 0.407046 0.097 Uiso 1 1 calc R . . . .
C09M C 0.0814(13) 1.3857(11) 0.1173(5) 0.093(6) Uani 1 1 d . U . . .
H5AA H 0.073613 1.429945 0.120651 0.112 Uiso 1 1 calc R . . . .
C09N C 0.1595(12) 1.3001(11) 0.1093(5) 0.090(6) Uani 1 1 d . U . . .
H6AA H 0.205234 1.284070 0.107061 0.108 Uiso 1 1 calc R . . . .
C09O C 0.5372(11) 0.3195(9) 0.3489(5) 0.082(5) Uani 1 1 d . U . . .
H09P H 0.573570 0.291030 0.352589 0.098 Uiso 1 1 calc R . . . .
C09P C 0.6638(13) 0.9513(10) 0.1156(5) 0.091(6) Uani 1 1 d . U . . .
H09Q H 0.634598 0.919236 0.121559 0.110 Uiso 1 1 calc R . . . .
C09Q C 0.5154(8) 0.4759(7) 0.2605(3) 0.101(4) Uani 1 1 d D U . . .
H09R H 0.503788 0.509372 0.247892 0.152 Uiso 1 1 calc R . . . .
H09S H 0.563693 0.462510 0.257621 0.152 Uiso 1 1 calc R . . . .
H09T H 0.512378 0.492101 0.282937 0.152 Uiso 1 1 calc R . . . .
C09R C 0.5490(11) 0.3833(9) 0.3575(5) 0.079(5) Uani 1 1 d . U . . .
H09U H 0.595056 0.398394 0.366684 0.095 Uiso 1 1 calc R . . . .
B09S B -0.0373(9) 1.2216(9) 0.1086(4) 0.055(4) Uani 1 1 d . . . . .
C09T C 0.4861(11) 0.3388(10) 0.0962(5) 0.084(5) Uani 1 1 d . U . . .
H09V H 0.525522 0.345316 0.084918 0.101 Uiso 1 1 calc R . . . .
C09V C 0.2868(10) 0.4132(9) 0.1905(4) 0.079(4) Uani 1 1 d . U . . .
H09W H 0.260359 0.446218 0.202150 0.118 Uiso 1 1 calc GR . . . .
H09X H 0.254743 0.376489 0.181816 0.118 Uiso 1 1 calc GR . . . .
H09Y H 0.306908 0.429866 0.173109 0.118 Uiso 1 1 calc GR . . . .
C09W C -0.1706(11) 0.2034(10) 0.3928(5) 0.082(5) Uani 1 1 d . U . . .
H5BA H -0.215905 0.220356 0.395007 0.098 Uiso 1 1 calc R . . . .
C09X C 0.4682(11) 1.1836(10) 0.1457(5) 0.085(5) Uani 1 1 d . U . . .
H09Z H 0.434562 1.213523 0.140478 0.103 Uiso 1 1 calc R . . . .
C09Z C 0.1346(12) 0.7132(10) 0.1216(5) 0.085(3) Uani 1 1 d . U . . .
H09 H 0.166961 0.704676 0.138589 0.103 Uiso 1 1 calc R . . . .
C0A0 C 0.8828(10) 0.7159(10) 0.1343(5) 0.080(5) Uani 1 1 d . U . . .
H0A0 H 0.931194 0.705559 0.136591 0.096 Uiso 1 1 calc R . . . .
C0A1 C 0.0327(12) 0.7263(10) 0.0714(5) 0.089(3) Uani 1 1 d . U . . .
H0A1 H -0.000915 0.731843 0.054311 0.106 Uiso 1 1 calc R . . . .
C0A3 C 0.0701(12) 0.6686(10) 0.1080(5) 0.088(3) Uani 1 1 d . U . . .
H0A3 H 0.062274 0.632668 0.117963 0.106 Uiso 1 1 calc R . . . .
C0A6 C 0.5644(11) 0.8319(10) 0.4970(5) 0.083(5) Uani 1 1 d . U . . .
H0A6 H 0.540828 0.869395 0.503867 0.100 Uiso 1 1 calc R . . . .
C0A8 C 0.1452(12) 0.5631(10) 0.0365(5) 0.089(3) Uani 1 1 d . U . . .
H0A8 H 0.109504 0.531149 0.028370 0.107 Uiso 1 1 calc R . . . .
C0A9 C 0.4536(10) 1.1166(9) 0.2232(5) 0.080(4) Uani 1 1 d . U . . .
H0AA H 0.457346 1.080519 0.206376 0.120 Uiso 1 1 calc GR . . . .
H0AB H 0.444010 1.154871 0.213685 0.120 Uiso 1 1 calc GR . . . .
H0AC H 0.414900 1.107821 0.235553 0.120 Uiso 1 1 calc GR . . . .
C0AA C 0.4544(14) 1.1210(12) 0.1351(6) 0.104(7) Uani 1 1 d . U . . .
H0AD H 0.410888 1.107917 0.122600 0.125 Uiso 1 1 calc R . . . .
C0AC C 0.0277(12) 0.6755(11) 0.0853(6) 0.090(3) Uani 1 1 d . U . . .
H0AE H -0.008834 0.644005 0.077647 0.108 Uiso 1 1 calc R . . . .
C0AD C 0.1518(12) 0.6153(10) 0.0229(5) 0.086(3) Uani 1 1 d . U . . .
H0AF H 0.123027 0.618098 0.003850 0.103 Uiso 1 1 calc R . . . .
C0AE C 0.1912(12) 0.5573(10) 0.0625(5) 0.090(3) Uani 1 1 d . U . . .
H0AG H 0.190150 0.518964 0.071143 0.108 Uiso 1 1 calc R . . . .
S43 S 0.5065(5) 0.6551(4) 0.1306(2) 0.071(2) Uani 0.5 1 d . U P A 2
C47 C 0.5350(17) 0.6436(15) 0.0984(8) 0.061(3) Uani 0.5 1 d . U P A 1
H47A H 0.501358 0.677625 0.098268 0.091 Uiso 0.5 1 calc GR . P A 1
H47B H 0.572957 0.651231 0.085389 0.091 Uiso 0.5 1 calc GR . P A 1
H47C H 0.555462 0.642775 0.120185 0.091 Uiso 0.5 1 calc GR . P A 1
C43 C 0.4415(12) 0.5584(10) 0.1011(4) 0.058(2) Uani 0.5 1 d . U P A 1
C56 C 0.4006(11) 0.5026(10) 0.0874(5) 0.058(2) Uani 0.5 1 d G U P A 1
C64 C 0.4152(11) 0.4690(8) 0.0578(5) 0.058(2) Uani 0.5 1 d G U P A 1
H64 H 0.387809 0.431625 0.048570 0.070 Uiso 0.5 1 calc R . P A 1
C06R C 0.4706(12) 0.4912(10) 0.0419(4) 0.059(2) Uani 0.5 1 d G U P A 1
H06R H 0.480351 0.468691 0.022040 0.070 Uiso 0.5 1 calc R . P A 1
C08R C 0.5115(10) 0.5470(10) 0.0556(5) 0.059(2) Uani 0.5 1 d G U P A 1
H08V H 0.548627 0.561841 0.044979 0.071 Uiso 0.5 1 calc R . P A 1
C08P C 0.4970(11) 0.5806(8) 0.0853(5) 0.059(2) Uani 0.5 1 d G U P A 1
C82 C 0.8689(12) 0.9078(10) 0.1520(5) 0.088(6) Uani 1 1 d . U . . .
H82 H 0.867690 0.865070 0.141629 0.105 Uiso 1 1 calc R . . . .
C79 C 0.4879(12) 0.5862(8) 0.0987(5) 0.059(2) Uani 0.5 1 d . U P A 2
C61 C 0.4342(12) 0.5413(10) 0.1025(4) 0.059(2) Uani 0.5 1 d G U P A 2
C52 C 0.4173(11) 0.4874(9) 0.0789(5) 0.059(2) Uani 0.5 1 d G U P A 2
H52 H 0.381346 0.457294 0.081435 0.070 Uiso 0.5 1 calc R . P A 2
C88 C 0.4541(12) 0.4784(9) 0.0515(4) 0.059(2) Uani 0.5 1 d G U P A 2
H88 H 0.442801 0.442328 0.035700 0.071 Uiso 0.5 1 calc R . P A 2
C99 C 0.5078(12) 0.5233(11) 0.0477(4) 0.060(2) Uani 0.5 1 d G U P A 2
H99 H 0.532440 0.517345 0.029371 0.072 Uiso 0.5 1 calc R . P A 2
C73 C 0.5247(11) 0.5773(9) 0.0713(5) 0.060(2) Uani 0.5 1 d G U P A 2
C101 C 0.5745(18) 0.6341(15) 0.0686(8) 0.063(3) Uani 0.5 1 d . U P A 2
H10A H 0.547958 0.673105 0.070623 0.095 Uiso 0.5 1 calc GR . P A 2
H10B H 0.593307 0.627212 0.047996 0.095 Uiso 0.5 1 calc GR . P A 2
H10C H 0.613727 0.638128 0.085478 0.095 Uiso 0.5 1 calc GR . P A 2
C131 C 0.3871(13) 0.5397(15) 0.1306(6) 0.056(3) Uani 0.5 1 d D U P A 2
H13A H 0.405692 0.571685 0.148570 0.084 Uiso 0.5 1 calc DGR . P A 2
H13B H 0.388096 0.497493 0.136965 0.084 Uiso 0.5 1 calc GR . P A 2
H13C H 0.338158 0.548796 0.123705 0.084 Uiso 0.5 1 calc GR . P A 2
C66 C 0.3211(16) 1.0044(14) 0.1471(7) 0.053(3) Uani 0.5 1 d . U P A 1
H66A H 0.293770 0.978148 0.158810 0.080 Uiso 0.5 1 calc GR . P A 1
H66B H 0.288742 1.028845 0.134941 0.080 Uiso 0.5 1 calc GR . P A 1
H66C H 0.353848 1.033494 0.161944 0.080 Uiso 0.5 1 calc GR . P A 1
C213 C 0.4983(17) 0.8325(15) 0.1099(7) 0.060(3) Uani 0.5 1 d . U P A 1
H21A H 0.547215 0.848044 0.116912 0.090 Uiso 0.5 1 calc GR . P A 1
H21B H 0.497705 0.799940 0.091106 0.090 Uiso 0.5 1 calc GR . P A 1
H21C H 0.478475 0.814153 0.126844 0.090 Uiso 0.5 1 calc GR . P A 1
C67 C 0.4459(12) 0.8926(11) 0.1137(5) 0.059(2) Uani 0.5 1 d . U P A 2
C185 C 0.4526(11) 0.8964(11) 0.0815(5) 0.059(2) Uani 0.5 1 d G U P A 2
C59 C 0.4079(13) 0.9358(11) 0.0653(3) 0.058(2) Uani 0.5 1 d G U P A 2
H59 H 0.412377 0.938338 0.043701 0.070 Uiso 0.5 1 calc R . P A 2
C81 C 0.3565(11) 0.9715(10) 0.0813(5) 0.058(2) Uani 0.5 1 d G U P A 2
H81 H 0.326647 0.997863 0.070464 0.069 Uiso 0.5 1 calc R . P A 2
C18 C 0.3499(11) 0.9677(10) 0.1135(5) 0.058(2) Uani 0.5 1 d G U P A 2
H18 H 0.315497 0.991580 0.124261 0.069 Uiso 0.5 1 calc R . P A 2
C27 C 0.3945(13) 0.9283(12) 0.1297(3) 0.058(2) Uani 0.5 1 d DG U P A 2
C84 C 0.3741(16) 0.9456(14) 0.1631(5) 0.055(3) Uani 0.5 1 d D U P A 2
H84A H 0.400034 0.919809 0.176986 0.082 Uiso 0.5 1 calc GR . P A 2
H84B H 0.323008 0.937434 0.163081 0.082 Uiso 0.5 1 calc GR . P A 2
H84C H 0.385979 0.990666 0.170707 0.082 Uiso 0.5 1 calc GR . P A 2
C158 C 0.5136(18) 0.8485(16) 0.0731(8) 0.064(4) Uani 0.5 1 d . U P A 2
H15A H 0.559317 0.867058 0.083409 0.095 Uiso 0.5 1 calc GR . P A 2
H15B H 0.515291 0.840587 0.050095 0.095 Uiso 0.5 1 calc GR . P A 2
H15C H 0.503578 0.808293 0.080498 0.095 Uiso 0.5 1 calc GR . P A 2
Ag10 Ag 0.5426(4) 0.51621(18) 0.19461(15) 0.0653(17) Uani 0.366(9) 1 d D . P A
1
Ag11 Ag 0.3983(3) 0.7303(3) 0.13087(8) 0.0665(16) Uani 0.434(9) 1 d . . P A 1
Ag12 Ag 0.5804(5) 0.9249(3) 0.1812(3) 0.065(2) Uani 0.465(17) 1 d . . P A 1
Ag13 Ag 0.2994(15) 0.5823(19) 0.2701(10) 0.075(7) Uani 0.32(5) 1 d . . P A 1
Ag14 Ag 0.3916(3) 0.7114(2) 0.3030(2) 0.0384(17) Uani 0.57(6) 1 d . . P A 1
Ag15 Ag 0.3011(3) 0.8226(4) 0.16597(4) 0.0471(16) Uani 0.598(18) 1 d . . P A 1
Ag16 Ag 0.477(4) 0.9802(19) 0.3144(17) 0.071(13) Uani 0.15(4) 1 d . . P A 1
Ag17 Ag 0.3634(8) 0.7044(7) 0.2091(4) 0.083(2) Uani 0.52(4) 1 d . . P A 1
Ag18 Ag 0.6953(3) 0.9242(5) 0.2331(2) 0.0870(18) Uani 0.67(3) 1 d D . P A 1
Ag19 Ag 0.6022(4) 0.7731(4) 0.3704(2) 0.087(3) Uani 0.5 1 d . . P 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 Ag02 3.0580(14) . ?
Ag01 Ag09 2.9589(15) . ?
Ag01 Ag 2.929(6) . ?
Ag01 Ag0B 2.9167(15) . ?
Ag01 Ag0C 3.1203(15) . ?
Ag01 Ag0G 2.9050(15) . ?
Ag01 Ag2 3.152(12) . ?
Ag01 S012 2.592(4) . ?
Ag01 Ag14 3.101(5) . ?
Ag01 Ag19 2.959(8) . ?
Ag02 Ag 3.042(6) . ?
Ag02 Ag0G 3.2160(15) . ?
Ag02 S00S 2.504(3) . ?
Ag02 P015 2.455(3) . ?
Ag02 Ag19 3.014(8) . ?
Ag03 Ag0B 3.0876(15) . ?
Ag03 Ag4 3.039(5) . ?
Ag03 P00Z 2.460(4) . ?
Ag03 S012 2.533(4) . ?
Ag03 Ag13 2.955(9) . ?
Ag03 Ag14 3.094(6) . ?
Ag04 Ag05 2.9237(14) . ?
Ag04 Ag0C 2.9505(14) . ?
Ag04 Ag0D 2.9931(15) . ?
Ag04 Ag1 3.102(5) . ?
Ag04 Ag0F 2.9170(15) . ?
Ag04 Ag0G 2.9173(15) . ?
Ag04 Ag2 3.22(2) . ?
Ag04 S010 2.577(3) . ?
Ag04 Ag16 2.78(6) . ?
Ag05 Ag1 3.038(3) . ?
Ag05 S00T 2.546(3) . ?
Ag05 P00Y 2.435(3) . ?
Ag05 S010 2.724(4) . ?
Ag05 Ag16 3.017(19) . ?
Ag06 Ag0F 3.1049(16) . ?
Ag06 Ag2 3.01(3) . ?
Ag06 Ag5 3.315(5) . ?
Ag06 S00T 2.506(4) . ?
Ag06 S00W 2.508(3) . ?
Ag06 S018 2.539(4) . ?
Ag06 Ag14 3.280(6) . ?
Ag06 Ag17 3.215(10) . ?
Ag07 Ag08 3.0247(16) . ?
Ag07 Ag09 2.9052(15) . ?
Ag07 Ag0C 3.0446(15) . ?
Ag07 Ag0K 3.0594(18) . ?
Ag07 Ag0M 2.9315(16) . ?
Ag07 Ag5 3.025(6) . ?
Ag07 Ag8 2.864(2) . ?
Ag07 S01J 2.663(6) . ?
Ag07 S43 2.396(9) . ?
Ag07 Ag10 3.234(5) . ?
Ag07 Ag17 2.922(8) . ?
Ag08 Ag09 3.3626(17) . ?
Ag08 Ag0C 3.1371(17) . ?
Ag08 Ag0D 2.9168(15) . ?
Ag08 Ag0I 3.1179(16) . ?
Ag08 Ag3 3.212(8) . ?
Ag08 Ag0K 2.9726(16) . ?
Ag08 S00V 2.629(4) . ?
Ag08 Ag12 3.363(4) . ?
Ag08 Ag18 3.371(10) . ?
Ag09 Ag0B 2.9543(15) . ?
Ag09 Ag0C 3.0965(17) . ?
Ag09 Ag0I 3.0301(16) . ?
Ag09 Ag0M 3.3460(16) . ?
Ag09 S00S 2.801(4) . ?
Ag09 Ag10 3.290(4) . ?
Ag P00U 2.475(7) . ?
Ag S010 2.591(7) . ?
Ag S012 2.870(5) . ?
Ag0B Ag0C 2.9945(15) . ?
Ag0B Ag2 2.858(8) . ?
Ag0B Ag4 2.896(4) . ?
Ag0B S01C 2.539(5) . ?
Ag0B Ag13 3.08(3) . ?
Ag0B Ag14 2.951(6) . ?
Ag0C Ag0D 3.0515(15) . ?
Ag0C Ag0F 3.0231(18) . ?
Ag0C Ag0G 3.1207(19) . ?
Ag0C Ag2 2.73(4) . ?
Ag0C Ag0K 2.9970(15) . ?
Ag0C Ag14 3.131(8) . ?
Ag0C Ag17 2.79(2) . ?
Ag0D Ag0F 3.0718(16) . ?
Ag0D Ag0G 3.0564(17) . ?
Ag0D Ag3 3.023(8) . ?
Ag0D Ag0K 3.3284(18) . ?
Ag0D Ag7 2.887(3) . ?
Ag0D S01E 2.588(4) . ?
Ag0D Ag12 3.239(10) . ?
Ag0D Ag18 2.969(6) . ?
Ag1 Ag0F 3.093(5) . ?
Ag1 P017 2.472(4) . ?
Ag1 S01E 2.533(5) . ?
Ag0F Ag0K 3.3470(19) . ?
Ag0F S00W 2.588(4) . ?
Ag0F Ag16 3.34(5) . ?
Ag0G Ag0I 3.1204(18) . ?
Ag0G S00X 2.663(4) . ?
Ag2 S00T 2.565(10) . ?
Ag0I S00S 2.481(3) . ?
Ag0I S00V 2.513(4) . ?
Ag0I S00X 2.522(4) . ?
Ag3 Ag7 3.022(9) . ?
Ag3 S00X 2.477(9) . ?
Ag3 P011 2.488(9) . ?
Ag3 Ag12 2.839(9) . ?
Ag0K Ag5 3.051(7) . ?
Ag0K Ag6 3.189(7) . ?
Ag0K Ag9 3.174(4) . ?
Ag0K S01L 2.489(5) . ?
Ag0K S01S 2.442(10) . ?
Ag0K Ag11 2.707(4) . ?
Ag0K Ag15 2.884(4) . ?
Ag0K Ag17 2.820(12) . ?
Ag4 S018 2.576(7) . ?
Ag4 P019 2.435(6) . ?
Ag4 S01C 2.763(8) . ?
Ag0M Ag8 2.996(2) . ?
Ag0M S00V 2.507(4) . ?
Ag0M P013 2.447(3) . ?
Ag0M Ag10 2.913(4) . ?
Ag5 Ag6 3.070(9) . ?
Ag5 Ag9 3.064(4) . ?
Ag5 S018 2.473(7) . ?
Ag6 Ag9 2.866(4) . ?
Ag6 S00W 2.536(5) . ?
Ag6 P01A 2.451(6) . ?
Ag7 P014 2.517(4) . ?
Ag7 S01L 2.580(7) . ?
Ag7 S01S 2.773(10) . ?
Ag7 Ag12 0.760(7) . ?
Ag7 Ag18 3.033(6) . ?
Ag8 P01B 2.497(4) . ?
Ag8 S01C 2.582(4) . ?
Ag9 P016 2.474(4) . ?
Ag9 S43 2.833(10) . ?
S00S C06Y 1.761(16) . ?
S00T C023 1.803(15) . ?
S00T Ag14 2.525(6) . ?
P00U C02M 1.810(14) . ?
P00U C02N 1.769(17) . ?
P00U C02U 1.837(15) . ?
P00U Ag19 2.485(9) . ?
S00V C03K 1.801(17) . ?
S00W C06E 1.768(16) . ?
S00W Ag15 2.537(4) . ?
S00X C03O 1.756(15) . ?
S00X Ag18 2.495(6) . ?
P00Y C025 1.814(15) . ?
P00Y C027 1.796(15) . ?
P00Y C03F 1.843(15) . ?
P00Z C026 1.847(14) . ?
P00Z C02B 1.817(16) . ?
P00Z C06I 1.823(15) . ?
S010 C05U 1.801(15) . ?
S010 Ag19 2.576(9) . ?
P011 C021 1.848(14) . ?
P011 C028 1.797(15) . ?
P011 C058 1.850(14) . ?
P011 Ag18 2.416(7) . ?
S012 C056 1.822(14) . ?
P013 C02F 1.809(15) . ?
P013 C02O 1.800(15) . ?
P013 C035 1.831(14) . ?
P014 C03I 1.798(15) . ?
P014 C03M 1.820(17) . ?
P014 C058 1.822(14) . ?
P014 Ag12 2.427(5) . ?
P015 C02M 1.854(14) . ?
P015 C034 1.846(15) . ?
P015 C07H 1.858(17) . ?
P016 C024 1.834(14) . ?
P016 C03P 1.78(2) . ?
P016 C043 1.816(9) . ?
P016 Ag11 2.535(5) . ?
P017 C02J 1.788(16) . ?
P017 C03F 1.849(15) . ?
P017 C05K 1.810(16) . ?
P017 Ag16 2.55(3) . ?
S018 C033 1.779(15) . ?
S018 Ag13 2.405(12) . ?
S018 Ag17 2.631(11) . ?
P019 C022 1.807(16) . ?
P019 C02I 1.824(15) . ?
P019 C06I 1.824(15) . ?
P019 Ag13 2.500(12) . ?
P01A C024 1.834(14) . ?
P01A C04H 1.800(16) . ?
P01A C07D 1.82(2) . ?
P01A Ag15 2.451(4) . ?
P01B C02X 1.793(16) . ?
P01B C035 1.824(15) . ?
P01B C03W 1.802(17) . ?
P01B Ag10 2.489(5) . ?
S01C C02S 1.775(19) . ?
S01C Ag10 2.807(6) . ?
S01E C05V 1.78(2) . ?
S01E Ag16 2.74(6) . ?
S01J C43 1.781(14) . ?
S01J Ag11 2.967(8) . ?
S01L C08W 1.805(14) . ?
S01L Ag12 2.887(10) . ?
S01L Ag15 2.831(11) . ?
S01S C67 1.827(16) . ?
C01Y C034 1.37(2) . ?
C01Y C06M 1.42(2) . ?
C01Z C023 1.43(2) . ?
C01Z C02Q 1.52(2) . ?
C01Z C045 1.37(2) . ?
C020 C026 1.37(2) . ?
C020 C079 1.45(2) . ?
C021 C02K 1.35(2) . ?
C021 C071 1.40(2) . ?
C022 C03R 1.42(2) . ?
C022 C04O 1.40(2) . ?
C023 C03X 1.38(2) . ?
C025 C02E 1.34(2) . ?
C025 C039 1.41(2) . ?
C026 C06N 1.34(2) . ?
C027 C053 1.42(2) . ?
C027 C072 1.40(2) . ?
C028 C02V 1.40(2) . ?
C028 C04R 1.41(2) . ?
C029 C047 1.39(2) . ?
C029 C04G 1.40(2) . ?
C029 B09S 1.66(2) . ?
C02A C02I 1.37(2) . ?
C02A C02T 1.38(2) . ?
C02B C048 1.42(2) . ?
C02B C07K 1.33(2) . ?
C02C C02K 1.38(2) . ?
C02C C05O 1.38(3) . ?
C02D C04P 1.39(2) . ?
C02D C05R 1.36(2) . ?
C02E C03L 1.43(2) . ?
C02F C03S 1.41(2) . ?
C02F C059 1.39(2) . ?
C02G C04F 1.50(2) . ?
C02G C05R 1.40(2) . ?
C02G C05U 1.45(2) . ?
C02H C03K 1.42(2) . ?
C02H C06L 1.47(2) . ?
C02H C07C 1.40(2) . ?
C02I C05S 1.41(2) . ?
C02J C036 1.43(2) . ?
C02J C09L 1.41(2) . ?
C02L C03I 1.41(2) . ?
C02L C07X 1.45(2) . ?
C02N C03A 1.40(2) . ?
C02N C07N 1.39(2) . ?
C02O C04Z 1.43(2) . ?
C02O C05Y 1.36(2) . ?
C02P C044 1.39(2) . ?
C02P C04T 1.40(2) . ?
C02R C04T 1.40(2) . ?
C02R C06P 1.40(2) . ?
C02R B08Y 1.65(2) . ?
C02S C054 1.45(3) . ?
C02S C05P 1.33(2) . ?
C02T C07B 1.37(2) . ?
C02U C03U 1.37(2) . ?
C02U C065 1.37(2) . ?
C02V C051 1.37(2) . ?
C02W C03O 1.424(19) . ?
C02W C042 1.47(2) . ?
C02W C063 1.37(2) . ?
C02X C061 1.38(2) . ?
C02X C09T 1.41(2) . ?
C02Y C032 1.49(3) . ?
C02Y C05V 1.44(3) . ?
C02Y C09F 1.540(16) . ?
C02Z C033 1.39(2) . ?
C02Z C041 1.47(2) . ?
C02Z C05J 1.39(2) . ?
C032 C04J 1.41(3) . ?
C033 C04L 1.42(2) . ?
C034 C067 1.39(2) . ?
C036 C06T 1.35(2) . ?
C037 C04C 1.41(2) . ?
C037 C069 1.42(2) . ?
C038 C05P 1.35(2) . ?
C038 C06U 1.32(3) . ?
C039 C05C 1.39(2) . ?
C03A C082 1.42(2) . ?
C03B C04H 1.45(2) . ?
C03B C08D 1.36(2) . ?
C03C C046 1.49(2) . ?
C03D C040 1.43(2) . ?
C03D C084 1.40(3) . ?
C03E C047 1.37(2) . ?
C03E C05W 1.42(2) . ?
C03H C04S 1.38(2) . ?
C03H C064 1.39(2) . ?
C03I C080 1.35(2) . ?
C03J C04N 1.50(2) . ?
C03J C04P 1.41(2) . ?
C03J C05U 1.34(2) . ?
C03K C07O 1.40(2) . ?
C03L C05G 1.36(2) . ?
C03M C04B 1.41(3) . ?
C03M C09P 1.37(3) . ?
C03N C05Q 1.38(2) . ?
C03N C06Z 1.39(2) . ?
C03O C05B 1.40(2) . ?
C03P C08J 1.36(3) . ?
C03P C099 1.43(3) . ?
C03Q C04M 1.43(2) . ?
C03Q C06V 1.33(3) . ?
C03R C077 1.38(2) . ?
C03S C05E 1.40(2) . ?
C03T C049 1.41(2) . ?
C03T C063 1.40(2) . ?
C03U C05D 1.35(2) . ?
C03V C06S 1.43(2) . ?
C03V C07H 1.37(2) . ?
C03W C06C 1.40(2) . ?
C03W C08H 1.40(2) . ?
C03X C04V 1.48(2) . ?
C03X C05H 1.43(2) . ?
C03Y C04L 1.38(2) . ?
C03Y C07A 1.36(3) . ?
C03Z C06Z 1.38(2) . ?
C03Z C08G 1.42(3) . ?
C040 C06Y 1.39(2) . ?
C040 C07Y 1.44(2) . ?
C044 C074 1.44(2) . ?
C045 C05I 1.37(2) . ?
C046 C04Q 1.38(2) . ?
C046 C056 1.36(2) . ?
C048 C078 1.38(2) . ?
C049 C05B 1.40(2) . ?
C04A C05D 1.37(2) . ?
C04A C08I 1.36(2) . ?
C04B C06J 1.38(3) . ?
C04C C05N 1.43(2) . ?
C04C B08Y 1.67(2) . ?
C04E C05K 1.37(2) . ?
C04E C06Q 1.45(2) . ?
C04G C04W 1.38(2) . ?
C04H C06F 1.36(2) . ?
C04I C055 1.36(2) . ?
C04I C056 1.39(2) . ?
C04I C087 1.53(2) . ?
C04J C07P 1.26(3) . ?
C04K C04U 1.40(2) . ?
C04K C06D 1.37(2) . ?
C04L C070 1.48(2) . ?
C04M C06E 1.41(2) . ?
C04M C07U 1.50(2) . ?
C04O C09K 1.36(3) . ?
C04Q C07W 1.43(2) . ?
C04R C82 1.41(3) . ?
C04S C07H 1.36(2) . ?
C04U C053 1.38(2) . ?
C04W C05W 1.41(2) . ?
C04X C062 1.42(2) . ?
C04X C07Q 1.41(2) . ?
C04Y C07J 1.44(2) . ?
C04Y C08M 1.36(2) . ?
C04Y B08Y 1.61(2) . ?
C04Z C07E 1.37(3) . ?
C050 C06G 1.42(2) . ?
C050 C06Y 1.42(2) . ?
C050 C07V 1.56(2) . ?
C051 C06H 1.33(2) . ?
C052 C043 1.3900 . ?
C052 C07F 1.3900 . ?
C043 C08Z 1.3900 . ?
C08Z C0A4 1.3900 . ?
C0A4 C090 1.3900 . ?
C090 C07F 1.3900 . ?
C054 C08S 1.40(2) . ?
C054 C09Q 1.550(16) . ?
C055 C07W 1.36(2) . ?
C057 C07K 1.37(3) . ?
C057 C07M 1.40(2) . ?
C059 C06O 1.41(2) . ?
C05A C05S 1.40(2) . ?
C05A C07B 1.38(2) . ?
C05B C08F 1.50(2) . ?
C05C C05G 1.38(2) . ?
C05E C08C 1.35(2) . ?
C05H C05I 1.35(2) . ?
C05J C07A 1.39(3) . ?
C05K C086 1.39(2) . ?
C05L C06F 1.39(2) . ?
C05L C06W 1.37(2) . ?
C05M C07Z 1.36(3) . ?
C05M C085 1.41(3) . ?
C05N C05X 1.39(2) . ?
C05O C09B 1.30(3) . ?
C05P C09V 1.60(3) . ?
C05Q C09A 1.41(2) . ?
C05Q B09S 1.62(2) . ?
C05T C062 1.38(2) . ?
C05T C073 1.40(2) . ?
C05V C066 1.36(3) . ?
C05X C07I 1.38(3) . ?
C05Y C075 1.39(3) . ?
C05Z C06M 1.35(2) . ?
C05Z C08A 1.39(2) . ?
C060 C07T 1.39(2) . ?
C060 C08Q 1.45(2) . ?
C060 B09S 1.65(2) . ?
C061 C096 1.35(3) . ?
C064 C06S 1.35(2) . ?
C065 C08I 1.36(2) . ?
C066 C07P 1.34(3) . ?
C066 C0A9 1.57(3) . ?
C067 C08A 1.38(2) . ?
C068 C06E 1.40(2) . ?
C068 C081 1.41(2) . ?
C068 C08B 1.50(2) . ?
C069 C07I 1.37(3) . ?
C06A C083 1.40(2) . ?
C06A C08O 1.37(2) . ?
C06A B09S 1.68(2) . ?
C06C C07Z 1.40(3) . ?
C06D C072 1.36(2) . ?
C06G C084 1.29(2) . ?
C06H C82 1.35(3) . ?
C06J C09J 1.34(3) . ?
C06K C06Q 1.38(3) . ?
C06K C08L 1.29(3) . ?
C06N C09R 1.38(3) . ?
C06O C08C 1.37(3) . ?
C06P C074 1.35(2) . ?
C06T C06X 1.34(2) . ?
C06U C08S 1.44(3) . ?
C06V C081 1.34(3) . ?
C06W C08D 1.37(2) . ?
C06X C09D 1.34(2) . ?
C071 C09B 1.45(3) . ?
C073 C07G 1.39(2) . ?
C073 B08Y 1.68(2) . ?
C075 C07R 1.36(3) . ?
C076 C077 1.40(3) . ?
C076 C09K 1.41(3) . ?
C078 C07M 1.33(3) . ?
C079 C09O 1.42(3) . ?
C07C C09H 1.36(3) . ?
C07D C09E 1.38(3) . ?
C07D C09Z 1.39(3) . ?
C07E C07R 1.42(3) . ?
C07G C07Q 1.36(2) . ?
C07J C091 1.39(3) . ?
C07N C0A6 1.39(3) . ?
C07O C098 1.45(3) . ?
C07O C0A0 1.43(2) . ?
C07S C08U 1.39(3) . ?
C07S C096 1.35(3) . ?
C07T C095 1.36(3) . ?
C07X C09X 1.39(3) . ?
C080 C0AA 1.40(3) . ?
C082 C09C 1.35(3) . ?
C083 C09M 1.41(3) . ?
C085 C08H 1.41(2) . ?
C086 C08L 1.42(3) . ?
C08E C08Q 1.35(3) . ?
C08E C08T 1.41(3) . ?
C08G C09A 1.40(3) . ?
C08J C0AE 1.41(3) . ?
C08K C56 1.53(3) . ?
C08M C09W 1.41(3) . ?
C08N C09M 1.40(3) . ?
C08N C09N 1.37(3) . ?
C08O C09N 1.38(3) . ?
C08T C095 1.36(3) . ?
C08U C09T 1.38(3) . ?
C08W C097 1.3900 . ?
C08W C05F 1.3900 . ?
C097 C089 1.3900 . ?
C097 C213 1.50(3) . ?
C089 C088 1.3900 . ?
C088 C092 1.3900 . ?
C092 C05F 1.3900 . ?
C05F C66 1.57(3) . ?
C091 C09G 1.36(3) . ?
C099 C0AD 1.36(3) . ?
C09C C0A6 1.37(3) . ?
C09D C09L 1.41(3) . ?
C09E C0A1 1.42(3) . ?
C09G C09W 1.39(3) . ?
C09H C0A0 1.31(3) . ?
C09I C09J 1.37(3) . ?
C09I C09P 1.43(3) . ?
C09O C09R 1.33(3) . ?
C09X C0AA 1.33(3) . ?
C09Z C0A3 1.51(3) . ?
C0A1 C0AC 1.29(3) . ?
C0A3 C0AC 1.21(3) . ?
C0A8 C0AD 1.32(3) . ?
C0A8 C0AE 1.34(3) . ?
S43 C79 1.813(16) . ?
C47 C08P 1.48(3) . ?
C43 C56 1.3900 . ?
C43 C08P 1.3900 . ?
C56 C64 1.3900 . ?
C64 C06R 1.3900 . ?
C06R C08R 1.3900 . ?
C08R C08P 1.3900 . ?
C79 C61 1.3900 . ?
C79 C73 1.3900 . ?
C61 C52 1.3900 . ?
C61 C131 1.54(3) . ?
C52 C88 1.3900 . ?
C88 C99 1.3900 . ?
C99 C73 1.3900 . ?
C73 C101 1.51(4) . ?
C67 C185 1.3900 . ?
C67 C27 1.3900 . ?
C185 C59 1.3900 . ?
C185 C158 1.56(4) . ?
C59 C81 1.3900 . ?
C81 C18 1.3900 . ?
C18 C27 1.3900 . ?
C27 C84 1.485(17) . ?
Ag11 Ag15 2.998(4) . ?
Ag12 Ag18 2.906(7) . ?
Ag13 Ag14 3.21(3) . ?

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
Ag02 Ag01 Ag0C 125.07(5) . . ?
Ag02 Ag01 Ag2 161.09(19) . . ?
Ag02 Ag01 Ag14 159.65(14) . . ?
Ag09 Ag01 Ag02 87.59(4) . . ?
Ag09 Ag01 Ag0C 61.17(4) . . ?
Ag09 Ag01 Ag2 102.9(7) . . ?
Ag09 Ag01 Ag14 110.07(17) . . ?
Ag09 Ag01 Ag19 141.04(16) . . ?
Ag Ag01 Ag02 61.04(11) . . ?
Ag Ag01 Ag09 143.23(10) . . ?
Ag Ag01 Ag0C 120.17(12) . . ?
Ag Ag01 Ag2 103.1(4) . . ?
Ag0B Ag01 Ag02 141.69(5) . . ?
Ag0B Ag01 Ag09 60.37(4) . . ?
Ag0B Ag01 Ag 155.68(11) . . ?
Ag0B Ag01 Ag0C 59.36(3) . . ?
Ag0B Ag01 Ag2 56.0(2) . . ?
Ag0B Ag01 Ag14 58.65(13) . . ?
Ag0B Ag01 Ag19 157.25(16) . . ?
Ag0C Ag01 Ag2 51.5(9) . . ?
Ag0G Ag01 Ag02 65.22(4) . . ?
Ag0G Ag01 Ag09 70.72(4) . . ?
Ag0G Ag01 Ag 78.41(9) . . ?
Ag0G Ag01 Ag0B 116.15(5) . . ?
Ag0G Ag01 Ag0C 62.26(4) . . ?
Ag0G Ag01 Ag2 103.1(8) . . ?
Ag0G Ag01 Ag14 110.12(12) . . ?
Ag0G Ag01 Ag19 75.84(16) . . ?
S012 Ag01 Ag02 96.49(8) . . ?
S012 Ag01 Ag09 146.59(9) . . ?
S012 Ag01 Ag 62.29(11) . . ?
S012 Ag01 Ag0B 99.95(8) . . ?
S012 Ag01 Ag0C 134.93(9) . . ?
S012 Ag01 Ag0G 140.52(9) . . ?
S012 Ag01 Ag2 83.5(9) . . ?
S012 Ag01 Ag14 74.55(18) . . ?
S012 Ag01 Ag19 64.86(17) . . ?
Ag14 Ag01 Ag0C 60.44(16) . . ?
Ag19 Ag01 Ag02 60.09(16) . . ?
Ag19 Ag01 Ag0C 118.44(16) . . ?
Ag19 Ag01 Ag14 99.7(2) . . ?
Ag01 Ag02 Ag0G 55.09(3) . . ?
Ag Ag02 Ag01 57.38(11) . . ?
Ag Ag02 Ag0G 72.14(11) . . ?
S00S Ag02 Ag01 85.02(9) . . ?
S00S Ag02 Ag 141.37(14) . . ?
S00S Ag02 Ag0G 79.37(8) . . ?
S00S Ag02 Ag19 141.59(17) . . ?
P015 Ag02 Ag01 132.96(9) . . ?
P015 Ag02 Ag 91.41(14) . . ?
P015 Ag02 Ag0G 152.83(10) . . ?
P015 Ag02 S00S 123.89(12) . . ?
P015 Ag02 Ag19 92.10(17) . . ?
Ag19 Ag02 Ag01 58.33(15) . . ?
Ag19 Ag02 Ag0G 70.61(15) . . ?
Ag0B Ag03 Ag14 57.03(15) . . ?
Ag4 Ag03 Ag0B 56.41(8) . . ?
P00Z Ag03 Ag0B 128.54(10) . . ?
P00Z Ag03 Ag4 88.48(15) . . ?
P00Z Ag03 S012 126.52(12) . . ?
P00Z Ag03 Ag13 91.6(3) . . ?
P00Z Ag03 Ag14 149.44(13) . . ?
S012 Ag03 Ag0B 96.92(9) . . ?
S012 Ag03 Ag4 144.74(15) . . ?
S012 Ag03 Ag13 139.4(6) . . ?
S012 Ag03 Ag14 75.44(14) . . ?
Ag13 Ag03 Ag0B 61.3(7) . . ?
Ag13 Ag03 Ag14 63.9(6) . . ?
Ag05 Ag04 Ag0C 122.38(5) . . ?
Ag05 Ag04 Ag0D 127.28(5) . . ?
Ag05 Ag04 Ag1 60.48(10) . . ?
Ag05 Ag04 Ag2 79.8(3) . . ?
Ag0C Ag04 Ag0D 61.78(4) . . ?
Ag0C Ag04 Ag1 118.79(10) . . ?
Ag0C Ag04 Ag2 52.2(6) . . ?
Ag0D Ag04 Ag1 72.47(6) . . ?
Ag0D Ag04 Ag2 111.1(8) . . ?
Ag1 Ag04 Ag2 123.8(5) . . ?
Ag0F Ag04 Ag05 74.57(4) . . ?
Ag0F Ag04 Ag0C 62.02(4) . . ?
Ag0F Ag04 Ag0D 62.62(4) . . ?
Ag0F Ag04 Ag1 61.76(14) . . ?
Ag0F Ag04 Ag0G 115.59(5) . . ?
Ag0F Ag04 Ag2 70.9(8) . . ?
Ag0G Ag04 Ag05 169.62(5) . . ?
Ag0G Ag04 Ag0C 64.26(4) . . ?
Ag0G Ag04 Ag0D 62.26(4) . . ?
Ag0G Ag04 Ag1 125.13(12) . . ?
Ag0G Ag04 Ag2 101.10(15) . . ?
S010 Ag04 Ag05 58.96(8) . . ?
S010 Ag04 Ag0C 136.67(9) . . ?
S010 Ag04 Ag0D 157.82(9) . . ?
S010 Ag04 Ag1 99.49(10) . . ?
S010 Ag04 Ag0F 132.53(9) . . ?
S010 Ag04 Ag0G 110.66(9) . . ?
S010 Ag04 Ag2 90.7(8) . . ?
S010 Ag04 Ag16 94.2(13) . . ?
Ag16 Ag04 Ag05 63.8(6) . . ?
Ag16 Ag04 Ag0C 126.6(16) . . ?
Ag16 Ag04 Ag0D 74.3(7) . . ?
Ag16 Ag04 Ag0F 72(2) . . ?
Ag16 Ag04 Ag0G 120.0(9) . . ?
Ag04 Ag05 Ag1 62.67(12) . . ?
Ag04 Ag05 Ag16 55.7(12) . . ?
S00T Ag05 Ag04 92.68(8) . . ?
S00T Ag05 Ag1 128.92(13) . . ?
S00T Ag05 S010 101.83(11) . . ?
S00T Ag05 Ag16 134.1(8) . . ?
P00Y Ag05 Ag04 145.86(10) . . ?
P00Y Ag05 Ag1 91.26(11) . . ?
P00Y Ag05 S00T 121.42(12) . . ?
P00Y Ag05 S010 113.98(12) . . ?
P00Y Ag05 Ag16 94.4(6) . . ?
S010 Ag05 Ag04 54.15(8) . . ?
S010 Ag05 Ag1 97.80(19) . . ?
S010 Ag05 Ag16 86(2) . . ?
Ag0F Ag06 Ag5 77.08(12) . . ?
Ag0F Ag06 Ag14 77.19(10) . . ?
Ag0F Ag06 Ag17 71.2(4) . . ?
Ag2 Ag06 Ag0F 71.5(7) . . ?
Ag2 Ag06 Ag5 72.4(6) . . ?
S00T Ag06 Ag0F 82.81(9) . . ?
S00T Ag06 Ag2 54.6(5) . . ?
S00T Ag06 Ag5 126.89(13) . . ?
S00T Ag06 S00W 125.10(12) . . ?
S00T Ag06 S018 116.26(11) . . ?
S00T Ag06 Ag14 49.56(15) . . ?
S00T Ag06 Ag17 122.1(3) . . ?
S00W Ag06 Ag0F 53.65(9) . . ?
S00W Ag06 Ag2 122.2(8) . . ?
S00W Ag06 Ag5 78.54(13) . . ?
S00W Ag06 S018 115.32(12) . . ?
S00W Ag06 Ag14 129.00(14) . . ?
S00W Ag06 Ag17 77.51(15) . . ?
S018 Ag06 Ag0F 122.97(9) . . ?
S018 Ag06 Ag2 78.25(18) . . ?
S018 Ag06 Ag5 47.74(14) . . ?
S018 Ag06 Ag14 78.25(12) . . ?
S018 Ag06 Ag17 52.8(3) . . ?
Ag17 Ag06 Ag14 74.2(3) . . ?
Ag08 Ag07 Ag0C 62.25(4) . . ?
Ag08 Ag07 Ag0K 58.49(4) . . ?
Ag08 Ag07 Ag5 111.93(13) . . ?
Ag08 Ag07 Ag10 125.39(13) . . ?
Ag09 Ag07 Ag08 69.06(4) . . ?
Ag09 Ag07 Ag0C 62.67(4) . . ?
Ag09 Ag07 Ag0K 113.85(5) . . ?
Ag09 Ag07 Ag0M 69.96(4) . . ?
Ag09 Ag07 Ag5 114.59(9) . . ?
Ag09 Ag07 Ag10 64.55(13) . . ?
Ag09 Ag07 Ag17 109.8(4) . . ?
Ag0C Ag07 Ag0K 58.81(4) . . ?
Ag0C Ag07 Ag10 115.20(11) . . ?
Ag0K Ag07 Ag10 171.67(8) . . ?
Ag0M Ag07 Ag08 82.30(4) . . ?
Ag0M Ag07 Ag0C 128.03(5) . . ?
Ag0M Ag07 Ag0K 131.79(5) . . ?
Ag0M Ag07 Ag5 165.76(13) . . ?
Ag0M Ag07 Ag10 56.13(8) . . ?
Ag5 Ag07 Ag0C 62.81(10) . . ?
Ag5 Ag07 Ag0K 60.18(13) . . ?
Ag8 Ag07 Ag08 139.24(8) . . ?
Ag8 Ag07 Ag09 79.79(8) . . ?
Ag8 Ag07 Ag0C 124.67(7) . . ?
Ag8 Ag07 Ag0K 162.26(9) . . ?
Ag8 Ag07 Ag0M 62.23(6) . . ?
Ag8 Ag07 Ag5 104.51(14) . . ?
S01J Ag07 Ag08 144.92(12) . . ?
S01J Ag07 Ag09 141.35(12) . . ?
S01J Ag07 Ag0C 137.90(13) . . ?
S01J Ag07 Ag0K 103.46(12) . . ?
S01J Ag07 Ag0M 92.93(12) . . ?
S01J Ag07 Ag10 77.07(18) . . ?
S01J Ag07 Ag17 82.3(5) . . ?
S43 Ag07 Ag08 96.4(2) . . ?
S43 Ag07 Ag09 136.4(2) . . ?
S43 Ag07 Ag0C 146.8(2) . . ?
S43 Ag07 Ag0K 88.7(2) . . ?
S43 Ag07 Ag0M 67.4(2) . . ?
S43 Ag07 Ag5 109.0(2) . . ?
S43 Ag07 Ag8 88.3(2) . . ?
Ag17 Ag07 Ag08 105.4(4) . . ?
Ag17 Ag07 Ag0C 55.8(5) . . ?
Ag17 Ag07 Ag0K 56.2(2) . . ?
Ag17 Ag07 Ag0M 171.8(3) . . ?
Ag17 Ag07 Ag10 116.0(2) . . ?
Ag07 Ag08 Ag09 53.79(3) . . ?
Ag07 Ag08 Ag0C 59.19(4) . . ?
Ag07 Ag08 Ag0I 104.47(5) . . ?
Ag07 Ag08 Ag3 173.56(14) . . ?
Ag07 Ag08 Ag12 125.12(7) . . ?
Ag07 Ag08 Ag18 170.74(18) . . ?
Ag09 Ag08 Ag12 167.8(3) . . ?
Ag09 Ag08 Ag18 127.60(10) . . ?
Ag0C Ag08 Ag09 56.77(4) . . ?
Ag0C Ag08 Ag3 116.06(11) . . ?
Ag0C Ag08 Ag12 111.4(2) . . ?
Ag0C Ag08 Ag18 112.92(18) . . ?
Ag0D Ag08 Ag07 115.08(5) . . ?
Ag0D Ag08 Ag09 106.93(5) . . ?
Ag0D Ag08 Ag0C 60.41(4) . . ?
Ag0D Ag08 Ag0I 107.33(5) . . ?
Ag0D Ag08 Ag3 58.88(12) . . ?
Ag0D Ag08 Ag0K 68.82(5) . . ?
Ag0D Ag08 Ag12 61.6(2) . . ?
Ag0D Ag08 Ag18 55.78(18) . . ?
Ag0I Ag08 Ag09 55.60(4) . . ?
Ag0I Ag08 Ag0C 100.27(5) . . ?
Ag0I Ag08 Ag3 80.29(15) . . ?
Ag0I Ag08 Ag12 129.65(9) . . ?
Ag0I Ag08 Ag18 81.11(10) . . ?
Ag3 Ag08 Ag09 128.48(15) . . ?
Ag3 Ag08 Ag12 51.09(16) . . ?
Ag3 Ag08 Ag18 3.2(2) . . ?
Ag0K Ag08 Ag07 61.34(4) . . ?
Ag0K Ag08 Ag09 104.02(4) . . ?
Ag0K Ag08 Ag0C 58.68(4) . . ?
Ag0K Ag08 Ag0I 158.21(6) . . ?
Ag0K Ag08 Ag3 112.79(15) . . ?
Ag0K Ag08 Ag12 68.70(14) . . ?
Ag0K Ag08 Ag18 111.04(13) . . ?
S00V Ag08 Ag07 86.93(8) . . ?
S00V Ag08 Ag09 74.13(8) . . ?
S00V Ag08 Ag0C 130.28(9) . . ?
S00V Ag08 Ag0D 154.06(9) . . ?
S00V Ag08 Ag0I 50.99(8) . . ?
S00V Ag08 Ag3 99.49(15) . . ?
S00V Ag08 Ag0K 136.85(9) . . ?
S00V Ag08 Ag12 118.0(3) . . ?
S00V Ag08 Ag18 102.29(19) . . ?
Ag12 Ag08 Ag18 51.12(11) . . ?
Ag01 Ag09 Ag08 107.84(4) . . ?
Ag01 Ag09 Ag0C 61.98(4) . . ?
Ag01 Ag09 Ag0I 104.76(5) . . ?
Ag01 Ag09 Ag0M 172.71(5) . . ?
Ag01 Ag09 Ag10 123.66(8) . . ?
Ag07 Ag09 Ag01 117.90(5) . . ?
Ag07 Ag09 Ag08 57.15(4) . . ?
Ag07 Ag09 Ag0B 72.24(4) . . ?
Ag07 Ag09 Ag0C 60.87(4) . . ?
Ag07 Ag09 Ag0I 109.79(5) . . ?
Ag07 Ag09 Ag0M 55.39(4) . . ?
Ag07 Ag09 Ag10 62.57(14) . . ?
Ag0B Ag09 Ag01 59.11(4) . . ?
Ag0B Ag09 Ag08 112.25(4) . . ?
Ag0B Ag09 Ag0C 59.27(4) . . ?
Ag0B Ag09 Ag0I 159.63(6) . . ?
Ag0B Ag09 Ag0M 114.10(4) . . ?
Ag0B Ag09 Ag10 70.52(8) . . ?
Ag0C Ag09 Ag08 57.94(3) . . ?
Ag0C Ag09 Ag0M 112.94(4) . . ?
Ag0C Ag09 Ag10 112.21(13) . . ?
Ag0I Ag09 Ag08 58.10(3) . . ?
Ag0I Ag09 Ag0C 103.19(5) . . ?
Ag0I Ag09 Ag0M 81.20(4) . . ?
Ag0I Ag09 Ag10 129.08(8) . . ?
Ag0M Ag09 Ag08 71.51(3) . . ?
S00S Ag09 Ag01 81.99(8) . . ?
S00S Ag09 Ag07 156.86(8) . . ?
S00S Ag09 Ag08 107.42(8) . . ?
S00S Ag09 Ag0B 130.76(8) . . ?
S00S Ag09 Ag0C 128.84(8) . . ?
S00S Ag09 Ag0I 50.17(8) . . ?
S00S Ag09 Ag0M 105.19(8) . . ?
S00S Ag09 Ag10 117.98(16) . . ?
Ag10 Ag09 Ag08 113.46(13) . . ?
Ag10 Ag09 Ag0M 52.07(8) . . ?
Ag01 Ag Ag02 61.58(12) . . ?
P00U Ag Ag01 141.9(3) . . ?
P00U Ag Ag02 88.7(2) . . ?
P00U Ag S010 118.3(3) . . ?
P00U Ag S012 109.1(2) . . ?
S010 Ag Ag01 98.5(2) . . ?
S010 Ag Ag02 146.5(2) . . ?
S010 Ag S012 97.27(19) . . ?
S012 Ag Ag01 53.09(12) . . ?
S012 Ag Ag02 91.21(18) . . ?
Ag01 Ag0B Ag03 73.73(4) . . ?
Ag01 Ag0B Ag09 60.53(4) . . ?
Ag01 Ag0B Ag0C 63.71(4) . . ?
Ag01 Ag0B Ag13 120.4(9) . . ?
Ag01 Ag0B Ag14 63.79(11) . . ?
Ag09 Ag0B Ag03 125.94(5) . . ?
Ag09 Ag0B Ag0C 62.73(4) . . ?
Ag09 Ag0B Ag13 176.0(3) . . ?
Ag0C Ag0B Ag03 120.89(5) . . ?
Ag0C Ag0B Ag13 113.8(7) . . ?
Ag2 Ag0B Ag01 66.2(3) . . ?
Ag2 Ag0B Ag03 71.0(10) . . ?
Ag2 Ag0B Ag09 110.6(5) . . ?
Ag2 Ag0B Ag0C 55.4(9) . . ?
Ag2 Ag0B Ag4 77.7(5) . . ?
Ag4 Ag0B Ag01 129.11(15) . . ?
Ag4 Ag0B Ag03 60.95(9) . . ?
Ag4 Ag0B Ag09 170.13(17) . . ?
Ag4 Ag0B Ag0C 121.57(16) . . ?
S01C Ag0B Ag01 157.37(11) . . ?
S01C Ag0B Ag03 101.53(10) . . ?
S01C Ag0B Ag09 109.62(10) . . ?
S01C Ag0B Ag0C 132.71(10) . . ?
S01C Ag0B Ag2 134.17(18) . . ?
S01C Ag0B Ag4 60.7(2) . . ?
S01C Ag0B Ag13 71.0(10) . . ?
S01C Ag0B Ag14 134.12(14) . . ?
Ag13 Ag0B Ag03 57.2(4) . . ?
Ag14 Ag0B Ag03 61.60(15) . . ?
Ag14 Ag0B Ag09 114.49(10) . . ?
Ag14 Ag0B Ag0C 63.55(13) . . ?
Ag14 Ag0B Ag13 64.1(10) . . ?
Ag01 Ag0C Ag0G 55.48(3) . . ?
Ag01 Ag0C Ag14 59.47(11) . . ?
Ag04 Ag0C Ag01 70.94(4) . . ?
Ag04 Ag0C Ag07 168.03(6) . . ?
Ag04 Ag0C Ag09 118.05(5) . . ?
Ag04 Ag0C Ag0B 117.66(4) . . ?
Ag04 Ag0C Ag0D 59.80(4) . . ?
Ag04 Ag0C Ag0F 58.45(4) . . ?
Ag04 Ag0C Ag0G 57.36(4) . . ?
Ag04 Ag0C Ag0K 116.76(5) . . ?
Ag04 Ag0C Ag14 68.08(11) . . ?
Ag07 Ag0C Ag01 109.15(4) . . ?
Ag07 Ag0C Ag09 56.46(4) . . ?
Ag07 Ag0C Ag0D 110.66(5) . . ?
Ag07 Ag0C Ag0G 112.30(5) . . ?
Ag07 Ag0C Ag14 122.79(11) . . ?
Ag09 Ag0C Ag01 56.84(3) . . ?
Ag09 Ag0C Ag0G 66.17(4) . . ?
Ag09 Ag0C Ag14 105.78(9) . . ?
Ag0B Ag0C Ag01 56.93(3) . . ?
Ag0B Ag0C Ag07 69.77(4) . . ?
Ag0B Ag0C Ag09 58.00(4) . . ?
Ag0B Ag0C Ag0D 166.73(6) . . ?
Ag0B Ag0C Ag0F 130.60(6) . . ?
Ag0B Ag0C Ag0G 107.78(5) . . ?
Ag0B Ag0C Ag0K 121.79(5) . . ?
Ag0B Ag0C Ag14 57.55(9) . . ?
Ag0D Ag0C Ag01 112.14(5) . . ?
Ag0D Ag0C Ag09 110.53(5) . . ?
Ag0D Ag0C Ag0G 59.35(4) . . ?
Ag0D Ag0C Ag14 125.82(10) . . ?
Ag0F Ag0C Ag01 124.53(5) . . ?
Ag0F Ag0C Ag07 125.14(5) . . ?
Ag0F Ag0C Ag09 171.28(5) . . ?
Ag0F Ag0C Ag0D 60.75(4) . . ?
Ag0F Ag0C Ag0G 106.93(4) . . ?
Ag0F Ag0C Ag14 80.71(9) . . ?
Ag0G Ag0C Ag14 103.94(13) . . ?
Ag2 Ag0C Ag01 64.8(7) . . ?
Ag2 Ag0C Ag04 69.06(16) . . ?
Ag2 Ag0C Ag07 122.27(15) . . ?
Ag2 Ag0C Ag09 110.2(6) . . ?
Ag2 Ag0C Ag0B 59.7(4) . . ?
Ag2 Ag0C Ag0D 125.0(3) . . ?
Ag2 Ag0C Ag0F 76.6(6) . . ?
Ag2 Ag0C Ag0G 108.3(5) . . ?
Ag2 Ag0C Ag0K 127.5(7) . . ?
Ag0K Ag0C Ag01 166.47(6) . . ?
Ag0K Ag0C Ag07 60.84(4) . . ?
Ag0K Ag0C Ag09 110.22(5) . . ?
Ag0K Ag0C Ag0D 66.77(4) . . ?
Ag0K Ag0C Ag0F 67.55(4) . . ?
Ag0K Ag0C Ag0G 117.80(5) . . ?
Ag0K Ag0C Ag14 132.89(13) . . ?
Ag17 Ag0C Ag01 126.73(16) . . ?
Ag17 Ag0C Ag04 130.2(2) . . ?
Ag17 Ag0C Ag07 59.9(2) . . ?
Ag17 Ag0C Ag09 108.0(2) . . ?
Ag17 Ag0C Ag0B 71.72(18) . . ?
Ag17 Ag0C Ag0D 120.50(18) . . ?
Ag17 Ag0C Ag0F 78.3(2) . . ?
Ag17 Ag0C Ag0G 172.0(2) . . ?
Ag17 Ag0C Ag0K 58.14(15) . . ?
Ag17 Ag0C Ag14 82.6(2) . . ?
Ag04 Ag0D Ag0C 58.42(3) . . ?
Ag04 Ag0D Ag0F 57.48(4) . . ?
Ag04 Ag0D Ag0G 57.65(4) . . ?
Ag04 Ag0D Ag3 135.10(16) . . ?
Ag04 Ag0D Ag0K 106.36(4) . . ?
Ag04 Ag0D Ag12 171.06(12) . . ?
Ag08 Ag0D Ag04 114.86(5) . . ?
Ag08 Ag0D Ag0C 63.37(4) . . ?
Ag08 Ag0D Ag0F 112.17(5) . . ?
Ag08 Ag0D Ag0G 70.88(4) . . ?
Ag08 Ag0D Ag3 65.44(12) . . ?
Ag08 Ag0D Ag0K 56.38(4) . . ?
Ag08 Ag0D Ag12 65.99(19) . . ?
Ag08 Ag0D Ag18 69.9(3) . . ?
Ag0C Ag0D Ag0F 59.17(4) . . ?
Ag0C Ag0D Ag0G 61.45(4) . . ?
Ag0C Ag0D Ag0K 55.83(3) . . ?
Ag0C Ag0D Ag12 117.23(12) . . ?
Ag0F Ag0D Ag0K 62.91(4) . . ?
Ag0F Ag0D Ag12 113.66(14) . . ?
Ag0G Ag0D Ag0F 107.34(5) . . ?
Ag0G Ag0D Ag0K 110.20(5) . . ?
Ag0G Ag0D Ag12 128.7(2) . . ?
Ag3 Ag0D Ag0C 124.91(13) . . ?
Ag3 Ag0D Ag0F 167.40(16) . . ?
Ag3 Ag0D Ag0G 83.89(15) . . ?
Ag3 Ag0D Ag0K 108.34(13) . . ?
Ag3 Ag0D Ag12 53.78(19) . . ?
Ag7 Ag0D Ag04 161.45(15) . . ?
Ag7 Ag0D Ag08 77.92(16) . . ?
Ag7 Ag0D Ag0C 123.17(9) . . ?
Ag7 Ag0D Ag0F 106.04(11) . . ?
Ag7 Ag0D Ag0G 140.80(16) . . ?
Ag7 Ag0D Ag3 61.45(18) . . ?
Ag7 Ag0D Ag0K 68.49(7) . . ?
Ag7 Ag0D Ag12 12.65(7) . . ?
Ag7 Ag0D Ag18 62.38(15) . . ?
S01E Ag0D Ag04 99.79(10) . . ?
S01E Ag0D Ag08 143.11(11) . . ?
S01E Ag0D Ag0C 134.55(11) . . ?
S01E Ag0D Ag0F 75.42(11) . . ?
S01E Ag0D Ag0G 143.65(11) . . ?
S01E Ag0D Ag3 99.08(17) . . ?
S01E Ag0D Ag0K 103.22(11) . . ?
S01E Ag0D Ag7 65.50(18) . . ?
S01E Ag0D Ag12 77.8(2) . . ?
S01E Ag0D Ag18 95.9(2) . . ?
Ag12 Ag0D Ag0K 66.24(7) . . ?
Ag18 Ag0D Ag04 133.32(14) . . ?
Ag18 Ag0D Ag0C 128.7(2) . . ?
Ag18 Ag0D Ag0F 168.02(11) . . ?
Ag18 Ag0D Ag0G 84.57(11) . . ?
Ag18 Ag0D Ag3 4.5(3) . . ?
Ag18 Ag0D Ag0K 112.3(2) . . ?
Ag18 Ag0D Ag12 55.62(18) . . ?
Ag05 Ag1 Ag04 56.85(6) . . ?
Ag05 Ag1 Ag0F 70.48(9) . . ?
Ag0F Ag1 Ag04 56.18(5) . . ?
P017 Ag1 Ag04 130.1(2) . . ?
P017 Ag1 Ag05 88.56(12) . . ?
P017 Ag1 Ag0F 148.8(3) . . ?
P017 Ag1 S01E 125.13(16) . . ?
S01E Ag1 Ag04 98.24(16) . . ?
S01E Ag1 Ag05 145.54(17) . . ?
S01E Ag1 Ag0F 75.77(14) . . ?
Ag04 Ag0F Ag06 107.54(5) . . ?
Ag04 Ag0F Ag0C 59.53(4) . . ?
Ag04 Ag0F Ag0D 59.90(4) . . ?
Ag04 Ag0F Ag1 62.06(14) . . ?
Ag04 Ag0F Ag0K 107.71(5) . . ?
Ag04 Ag0F Ag16 52.1(17) . . ?
Ag06 Ag0F Ag0K 99.92(5) . . ?
Ag06 Ag0F Ag16 132.2(3) . . ?
Ag0C Ag0F Ag06 88.58(5) . . ?
Ag0C Ag0F Ag0D 60.08(4) . . ?
Ag0C Ag0F Ag1 116.81(16) . . ?
Ag0C Ag0F Ag0K 55.85(3) . . ?
Ag0C Ag0F Ag16 106.9(16) . . ?
Ag0D Ag0F Ag06 148.61(6) . . ?
Ag0D Ag0F Ag1 71.54(13) . . ?
Ag0D Ag0F Ag0K 62.30(4) . . ?
Ag0D Ag0F Ag16 65.7(8) . . ?
Ag1 Ag0F Ag06 131.07(10) . . ?
Ag1 Ag0F Ag0K 129.01(10) . . ?
S00W Ag0F Ag04 158.66(9) . . ?
S00W Ag0F Ag06 51.30(8) . . ?
S00W Ag0F Ag0C 116.19(9) . . ?
S00W Ag0F Ag0D 138.84(9) . . ?
S00W Ag0F Ag1 126.98(18) . . ?
S00W Ag0F Ag0K 81.73(8) . . ?
S00W Ag0F Ag16 136.9(16) . . ?
Ag16 Ag0F Ag0K 126.4(4) . . ?
Ag01 Ag0G Ag02 59.69(3) . . ?
Ag01 Ag0G Ag04 74.54(4) . . ?
Ag01 Ag0G Ag0C 62.25(4) . . ?
Ag01 Ag0G Ag0D 118.40(5) . . ?
Ag01 Ag0G Ag0I 103.82(5) . . ?
Ag04 Ag0G Ag02 116.76(5) . . ?
Ag04 Ag0G Ag0C 58.39(4) . . ?
Ag04 Ag0G Ag0D 60.08(4) . . ?
Ag04 Ag0G Ag0I 157.57(6) . . ?
Ag0C Ag0G Ag02 119.79(4) . . ?
Ag0D Ag0G Ag02 176.84(5) . . ?
Ag0D Ag0G Ag0C 59.20(4) . . ?
Ag0D Ag0G Ag0I 103.86(5) . . ?
Ag0I Ag0G Ag02 79.22(4) . . ?
Ag0I Ag0G Ag0C 100.58(5) . . ?
S00X Ag0G Ag01 151.94(9) . . ?
S00X Ag0G Ag02 99.12(8) . . ?
S00X Ag0G Ag04 133.52(9) . . ?
S00X Ag0G Ag0C 127.44(9) . . ?
S00X Ag0G Ag0D 83.51(8) . . ?
S00X Ag0G Ag0I 50.96(9) . . ?
Ag01 Ag2 Ag04 67.15(18) . . ?
Ag06 Ag2 Ag01 160.1(18) . . ?
Ag06 Ag2 Ag04 102.5(11) . . ?
Ag0B Ag2 Ag01 57.81(17) . . ?
Ag0B Ag2 Ag04 113.4(7) . . ?
Ag0B Ag2 Ag06 116.5(9) . . ?
Ag0C Ag2 Ag01 63.6(3) . . ?
Ag0C Ag2 Ag04 58.8(6) . . ?
Ag0C Ag2 Ag06 96.5(15) . . ?
Ag0C Ag2 Ag0B 64.8(5) . . ?
S00T Ag2 Ag01 138.3(9) . . ?
S00T Ag2 Ag04 85.7(4) . . ?
S00T Ag2 Ag06 52.7(3) . . ?
S00T Ag2 Ag0B 160.6(6) . . ?
S00T Ag2 Ag0C 128.2(16) . . ?
Ag08 Ag0I Ag0G 67.49(4) . . ?
Ag09 Ag0I Ag08 66.30(4) . . ?
Ag09 Ag0I Ag0G 66.96(4) . . ?
S00S Ag0I Ag08 125.20(10) . . ?
S00S Ag0I Ag09 60.12(9) . . ?
S00S Ag0I Ag0G 81.65(9) . . ?
S00S Ag0I S00V 124.30(12) . . ?
S00S Ag0I S00X 118.12(12) . . ?
S00V Ag0I Ag08 54.38(9) . . ?
S00V Ag0I Ag09 82.02(9) . . ?
S00V Ag0I Ag0G 121.25(10) . . ?
S00V Ag0I S00X 116.00(12) . . ?
S00X Ag0I Ag08 79.78(9) . . ?
S00X Ag0I Ag09 120.54(10) . . ?
S00X Ag0I Ag0G 55.10(9) . . ?
Ag0D Ag3 Ag08 55.69(15) . . ?
Ag7 Ag3 Ag08 71.6(2) . . ?
Ag7 Ag3 Ag0D 57.05(17) . . ?
S00X Ag3 Ag08 78.6(2) . . ?
S00X Ag3 Ag0D 87.4(2) . . ?
S00X Ag3 Ag7 142.4(3) . . ?
S00X Ag3 P011 123.3(4) . . ?
S00X Ag3 Ag12 144.8(3) . . ?
P011 Ag3 Ag08 153.1(3) . . ?
P011 Ag3 Ag0D 132.7(3) . . ?
P011 Ag3 Ag7 92.4(3) . . ?
P011 Ag3 Ag12 91.8(3) . . ?
Ag12 Ag3 Ag08 67.21(19) . . ?
Ag12 Ag3 Ag0D 67.0(3) . . ?
Ag12 Ag3 Ag7 14.47(18) . . ?
Ag07 Ag0K Ag0D 103.34(4) . . ?
Ag07 Ag0K Ag6 109.7(2) . . ?
Ag07 Ag0K Ag9 67.91(5) . . ?
Ag08 Ag0K Ag07 60.17(4) . . ?
Ag08 Ag0K Ag0C 63.40(4) . . ?
Ag08 Ag0K Ag0D 54.80(3) . . ?
Ag08 Ag0K Ag5 112.68(12) . . ?
Ag08 Ag0K Ag6 169.9(2) . . ?
Ag08 Ag0K Ag9 118.18(6) . . ?
Ag0C Ag0K Ag07 60.35(4) . . ?
Ag0C Ag0K Ag0D 57.40(4) . . ?
Ag0C Ag0K Ag5 63.06(10) . . ?
Ag0C Ag0K Ag6 113.26(18) . . ?
Ag0C Ag0K Ag9 115.75(7) . . ?
Ag5 Ag0K Ag07 59.35(12) . . ?
Ag5 Ag0K Ag0D 117.15(9) . . ?
Ag5 Ag0K Ag6 58.9(2) . . ?
Ag5 Ag0K Ag9 58.94(10) . . ?
Ag6 Ag0K Ag0D 132.71(11) . . ?
Ag9 Ag0K Ag0D 171.24(6) . . ?
Ag9 Ag0K Ag6 53.54(12) . . ?
S01L Ag0K Ag07 158.63(13) . . ?
S01L Ag0K Ag08 113.84(14) . . ?
S01L Ag0K Ag0C 138.13(14) . . ?
S01L Ag0K Ag0D 86.04(14) . . ?
S01L Ag0K Ag11 93.46(17) . . ?
S01L Ag0K Ag15 63.1(2) . . ?
S01L Ag0K Ag17 135.2(2) . . ?
S01S Ag0K Ag07 110.9(2) . . ?
S01S Ag0K Ag08 85.5(2) . . ?
S01S Ag0K Ag0C 148.2(2) . . ?
S01S Ag0K Ag0D 100.2(2) . . ?
S01S Ag0K Ag5 142.5(2) . . ?
S01S Ag0K Ag6 98.5(3) . . ?
S01S Ag0K Ag9 83.6(2) . . ?
Ag11 Ag0K Ag07 72.50(9) . . ?
Ag11 Ag0K Ag08 112.49(11) . . ?
Ag11 Ag0K Ag0C 127.25(14) . . ?
Ag11 Ag0K Ag0D 165.02(15) . . ?
Ag11 Ag0K Ag15 64.77(12) . . ?
Ag11 Ag0K Ag17 79.6(5) . . ?
Ag15 Ag0K Ag07 121.13(18) . . ?
Ag15 Ag0K Ag08 175.16(12) . . ?
Ag15 Ag0K Ag0C 121.42(13) . . ?
Ag15 Ag0K Ag0D 127.22(12) . . ?
Ag17 Ag0K Ag07 59.44(16) . . ?
Ag17 Ag0K Ag08 109.5(3) . . ?
Ag17 Ag0K Ag0C 57.3(4) . . ?
Ag17 Ag0K Ag0D 111.1(4) . . ?
Ag17 Ag0K Ag15 74.3(3) . . ?
Ag0B Ag4 Ag03 62.64(9) . . ?
S018 Ag4 Ag03 128.1(3) . . ?
S018 Ag4 Ag0B 91.83(18) . . ?
S018 Ag4 S01C 100.93(18) . . ?
P019 Ag4 Ag03 90.55(14) . . ?
P019 Ag4 Ag0B 145.2(2) . . ?
P019 Ag4 S018 122.9(2) . . ?
P019 Ag4 S01C 115.1(4) . . ?
S01C Ag4 Ag03 97.67(16) . . ?
S01C Ag4 Ag0B 53.25(13) . . ?
Ag07 Ag0M Ag09 54.65(3) . . ?
Ag07 Ag0M Ag8 57.79(5) . . ?
Ag8 Ag0M Ag09 71.15(5) . . ?
S00V Ag0M Ag07 91.27(9) . . ?
S00V Ag0M Ag09 75.85(9) . . ?
S00V Ag0M Ag8 143.96(10) . . ?
S00V Ag0M Ag10 138.78(14) . . ?
P013 Ag0M Ag07 140.91(10) . . ?
P013 Ag0M Ag09 145.84(10) . . ?
P013 Ag0M Ag8 93.49(9) . . ?
P013 Ag0M S00V 122.29(13) . . ?
P013 Ag0M Ag10 93.27(11) . . ?
Ag10 Ag0M Ag07 67.19(12) . . ?
Ag10 Ag0M Ag09 62.97(10) . . ?
Ag07 Ag5 Ag06 141.5(2) . . ?
Ag07 Ag5 Ag0C 58.89(12) . . ?
Ag07 Ag5 Ag0K 60.46(13) . . ?
Ag07 Ag5 Ag6 113.9(2) . . ?
Ag07 Ag5 Ag9 69.77(12) . . ?
Ag0C Ag5 Ag06 82.66(11) . . ?
Ag0K Ag5 Ag06 101.78(17) . . ?
Ag0K Ag5 Ag0C 57.64(12) . . ?
Ag0K Ag5 Ag6 62.8(2) . . ?
Ag0K Ag5 Ag9 62.53(13) . . ?
Ag6 Ag5 Ag06 80.00(16) . . ?
Ag6 Ag5 Ag0C 112.0(3) . . ?
Ag9 Ag5 Ag06 135.6(2) . . ?
Ag9 Ag5 Ag0C 114.1(2) . . ?
Ag9 Ag5 Ag6 55.70(12) . . ?
S018 Ag5 Ag06 49.46(12) . . ?
S018 Ag5 Ag07 140.2(2) . . ?
S018 Ag5 Ag0C 110.71(16) . . ?
S018 Ag5 Ag0K 151.2(2) . . ?
S018 Ag5 Ag6 105.6(3) . . ?
S018 Ag5 Ag9 135.1(3) . . ?
Ag5 Ag6 Ag0K 58.31(15) . . ?
Ag9 Ag6 Ag0K 62.96(13) . . ?
Ag9 Ag6 Ag5 62.04(15) . . ?
S00W Ag6 Ag0K 85.8(2) . . ?
S00W Ag6 Ag5 83.04(19) . . ?
S00W Ag6 Ag9 141.51(17) . . ?
P01A Ag6 Ag0K 126.6(4) . . ?
P01A Ag6 Ag5 150.0(3) . . ?
P01A Ag6 Ag9 92.72(16) . . ?
P01A Ag6 S00W 125.0(3) . . ?
Ag0D Ag7 Ag3 61.50(15) . . ?
Ag0D Ag7 Ag18 60.14(13) . . ?
Ag3 Ag7 Ag18 4.6(2) . . ?
P014 Ag7 Ag0D 140.92(13) . . ?
P014 Ag7 Ag3 87.5(2) . . ?
P014 Ag7 S01L 121.96(17) . . ?
P014 Ag7 S01S 112.0(3) . . ?
P014 Ag7 Ag18 86.97(17) . . ?
S01L Ag7 Ag0D 94.39(15) . . ?
S01L Ag7 Ag3 148.7(2) . . ?
S01L Ag7 Ag18 150.38(19) . . ?
S01S Ag7 Ag0D 104.1(2) . . ?
S01S Ag7 Ag3 119.0(3) . . ?
Ag12 Ag7 Ag0D 111.1(5) . . ?
Ag12 Ag7 Ag3 68.9(4) . . ?
Ag12 Ag7 P014 74.5(3) . . ?
Ag12 Ag7 S01L 106.3(4) . . ?
Ag12 Ag7 Ag18 73.2(5) . . ?
Ag07 Ag8 Ag0M 59.98(4) . . ?
P01B Ag8 Ag07 143.77(11) . . ?
P01B Ag8 Ag0M 87.98(11) . . ?
P01B Ag8 S01C 121.94(14) . . ?
S01C Ag8 Ag07 93.68(11) . . ?
S01C Ag8 Ag0M 147.02(12) . . ?
Ag5 Ag9 Ag0K 58.53(13) . . ?
Ag6 Ag9 Ag0K 63.50(18) . . ?
Ag6 Ag9 Ag5 62.26(19) . . ?
P016 Ag9 Ag0K 124.81(16) . . ?
P016 Ag9 Ag5 150.76(17) . . ?
P016 Ag9 Ag6 92.19(14) . . ?
P016 Ag9 S43 112.0(2) . . ?
S43 Ag9 Ag0K 79.4(2) . . ?
S43 Ag9 Ag5 97.3(2) . . ?
S43 Ag9 Ag6 142.8(3) . . ?
Ag02 S00S Ag09 103.31(12) . . ?
Ag0I S00S Ag02 108.29(14) . . ?
Ag0I S00S Ag09 69.71(9) . . ?
C06Y S00S Ag02 113.7(5) . . ?
C06Y S00S Ag09 137.7(5) . . ?
C06Y S00S Ag0I 114.3(5) . . ?
Ag05 S00T Ag2 101.2(4) . . ?
Ag06 S00T Ag05 117.64(13) . . ?
Ag06 S00T Ag2 72.7(9) . . ?
Ag06 S00T Ag14 81.4(2) . . ?
C023 S00T Ag05 110.1(5) . . ?
C023 S00T Ag06 120.5(5) . . ?
C023 S00T Ag2 130.2(12) . . ?
C023 S00T Ag14 120.1(5) . . ?
Ag14 S00T Ag05 103.42(16) . . ?
C02M P00U Ag 110.5(5) . . ?
C02M P00U C02U 106.8(7) . . ?
C02M P00U Ag19 111.7(5) . . ?
C02N P00U Ag 118.0(5) . . ?
C02N P00U C02M 103.5(7) . . ?
C02N P00U C02U 98.5(7) . . ?
C02N P00U Ag19 119.9(6) . . ?
C02U P00U Ag 117.9(5) . . ?
C02U P00U Ag19 114.8(5) . . ?
Ag0I S00V Ag08 74.63(10) . . ?
Ag0M S00V Ag08 99.48(12) . . ?
Ag0M S00V Ag0I 111.78(14) . . ?
C03K S00V Ag08 129.7(6) . . ?
C03K S00V Ag0I 120.9(6) . . ?
C03K S00V Ag0M 113.8(5) . . ?
Ag06 S00W Ag0F 75.04(10) . . ?
Ag06 S00W Ag6 109.1(3) . . ?
Ag06 S00W Ag15 121.9(2) . . ?
Ag6 S00W Ag0F 111.44(19) . . ?
C06E S00W Ag06 115.7(5) . . ?
C06E S00W Ag0F 128.1(6) . . ?
C06E S00W Ag6 111.4(5) . . ?
C06E S00W Ag15 109.5(5) . . ?
Ag15 S00W Ag0F 103.76(18) . . ?
Ag0I S00X Ag0G 73.94(10) . . ?
Ag3 S00X Ag0G 104.4(2) . . ?
Ag3 S00X Ag0I 109.5(2) . . ?
Ag3 S00X Ag18 5.6(3) . . ?
C03O S00X Ag0G 132.0(5) . . ?
C03O S00X Ag0I 114.8(5) . . ?
C03O S00X Ag3 114.7(5) . . ?
C03O S00X Ag18 112.6(5) . . ?
Ag18 S00X Ag0G 103.59(18) . . ?
Ag18 S00X Ag0I 114.7(3) . . ?
C025 P00Y Ag05 121.1(5) . . ?
C025 P00Y C03F 103.8(7) . . ?
C027 P00Y Ag05 113.4(5) . . ?
C027 P00Y C025 101.9(6) . . ?
C027 P00Y C03F 102.9(7) . . ?
C03F P00Y Ag05 111.8(5) . . ?
C026 P00Z Ag03 117.2(5) . . ?
C02B P00Z Ag03 111.0(5) . . ?
C02B P00Z C026 104.9(7) . . ?
C02B P00Z C06I 105.3(7) . . ?
C06I P00Z Ag03 115.3(5) . . ?
C06I P00Z C026 102.0(7) . . ?
Ag04 S010 Ag05 66.88(8) . . ?
Ag04 S010 Ag 90.01(17) . . ?
Ag S010 Ag05 151.83(19) . . ?
C05U S010 Ag04 122.0(5) . . ?
C05U S010 Ag05 96.0(5) . . ?
C05U S010 Ag 110.3(5) . . ?
C05U S010 Ag19 108.9(5) . . ?
Ag19 S010 Ag04 88.6(2) . . ?
Ag19 S010 Ag05 152.0(2) . . ?
C021 P011 Ag3 123.4(5) . . ?
C021 P011 C058 101.9(6) . . ?
C021 P011 Ag18 119.4(5) . . ?
C028 P011 Ag3 106.4(5) . . ?
C028 P011 C021 104.1(6) . . ?
C028 P011 C058 106.0(6) . . ?
C028 P011 Ag18 111.5(5) . . ?
C058 P011 Ag3 113.5(5) . . ?
C058 P011 Ag18 112.6(5) . . ?
Ag18 P011 Ag3 5.4(3) . . ?
Ag01 S012 Ag 64.62(14) . . ?
Ag03 S012 Ag01 89.39(11) . . ?
Ag03 S012 Ag 149.48(19) . . ?
C056 S012 Ag01 124.4(5) . . ?
C056 S012 Ag03 108.2(5) . . ?
C056 S012 Ag 100.0(5) . . ?
C02F P013 Ag0M 124.6(5) . . ?
C02F P013 C035 101.7(7) . . ?
C02O P013 Ag0M 109.5(5) . . ?
C02O P013 C02F 102.1(7) . . ?
C02O P013 C035 103.5(7) . . ?
C035 P013 Ag0M 113.1(5) . . ?
C03I P014 Ag7 110.6(5) . . ?
C03I P014 C03M 100.9(7) . . ?
C03I P014 C058 104.1(7) . . ?
C03I P014 Ag12 123.0(5) . . ?
C03M P014 Ag7 123.8(6) . . ?
C03M P014 C058 103.3(7) . . ?
C03M P014 Ag12 107.0(6) . . ?
C058 P014 Ag7 112.0(5) . . ?
C058 P014 Ag12 115.9(5) . . ?
Ag12 P014 Ag7 17.56(18) . . ?
C02M P015 Ag02 113.0(5) . . ?
C02M P015 C07H 104.0(7) . . ?
C034 P015 Ag02 120.5(5) . . ?
C034 P015 C02M 102.4(7) . . ?
C034 P015 C07H 102.4(7) . . ?
C07H P015 Ag02 112.6(5) . . ?
C024 P016 Ag9 114.9(5) . . ?
C024 P016 Ag11 108.0(5) . . ?
C03P P016 Ag9 104.9(7) . . ?
C03P P016 C024 108.2(8) . . ?
C03P P016 C043 98.3(8) . . ?
C03P P016 Ag11 124.8(7) . . ?
C043 P016 Ag9 126.0(4) . . ?
C043 P016 C024 102.4(6) . . ?
C043 P016 Ag11 112.8(5) . . ?
C02J P017 Ag1 121.2(5) . . ?
C02J P017 C03F 99.8(7) . . ?
C02J P017 C05K 104.5(7) . . ?
C02J P017 Ag16 110.9(17) . . ?
C03F P017 Ag1 118.0(5) . . ?
C03F P017 Ag16 114.1(13) . . ?
C05K P017 Ag1 106.0(5) . . ?
C05K P017 C03F 105.8(7) . . ?
C05K P017 Ag16 120(2) . . ?
Ag06 S018 Ag4 122.8(2) . . ?
Ag06 S018 Ag17 76.9(4) . . ?
Ag5 S018 Ag06 82.80(17) . . ?
Ag5 S018 Ag4 105.6(2) . . ?
C033 S018 Ag06 115.0(5) . . ?
C033 S018 Ag4 107.7(5) . . ?
C033 S018 Ag5 121.6(5) . . ?
C033 S018 Ag13 110.0(5) . . ?
C033 S018 Ag17 128.9(7) . . ?
Ag13 S018 Ag06 112.1(12) . . ?
Ag13 S018 Ag17 109.8(8) . . ?
C022 P019 Ag4 115.4(5) . . ?
C022 P019 C02I 103.6(7) . . ?
C022 P019 C06I 106.3(7) . . ?
C022 P019 Ag13 102.1(15) . . ?
C02I P019 Ag4 119.0(5) . . ?
C02I P019 C06I 103.5(7) . . ?
C02I P019 Ag13 126.5(8) . . ?
C06I P019 Ag4 107.8(5) . . ?
C06I P019 Ag13 113.0(7) . . ?
C024 P01A Ag6 114.6(5) . . ?
C024 P01A Ag15 109.9(5) . . ?
C04H P01A Ag6 126.6(6) . . ?
C04H P01A C024 104.7(7) . . ?
C04H P01A C07D 102.3(9) . . ?
C04H P01A Ag15 116.4(6) . . ?
C07D P01A Ag6 103.1(7) . . ?
C07D P01A C024 102.0(8) . . ?
C07D P01A Ag15 119.6(7) . . ?
C02X P01B Ag8 112.1(5) . . ?
C02X P01B C035 102.2(7) . . ?
C02X P01B C03W 103.5(7) . . ?
C02X P01B Ag10 126.3(6) . . ?
C035 P01B Ag8 112.7(5) . . ?
C035 P01B Ag10 117.6(5) . . ?
C03W P01B Ag8 119.5(5) . . ?
C03W P01B C035 105.2(7) . . ?
C03W P01B Ag10 99.4(6) . . ?
Ag0B S01C Ag4 66.05(17) . . ?
Ag0B S01C Ag8 92.57(15) . . ?
Ag0B S01C Ag10 84.94(16) . . ?
Ag8 S01C Ag4 154.3(2) . . ?
C02S S01C Ag0B 123.3(6) . . ?
C02S S01C Ag4 94.9(6) . . ?
C02S S01C Ag8 109.3(6) . . ?
C02S S01C Ag10 99.6(6) . . ?
Ag0D S01E Ag16 81.8(13) . . ?
Ag1 S01E Ag0D 89.47(17) . . ?
C05V S01E Ag0D 126.1(7) . . ?
C05V S01E Ag1 109.1(6) . . ?
C05V S01E Ag16 105.4(8) . . ?
Ag07 S01J Ag11 74.63(16) . . ?
C43 S01J Ag07 127.2(8) . . ?
C43 S01J Ag11 101.5(8) . . ?
Ag0K S01L Ag7 87.85(19) . . ?
Ag0K S01L Ag12 83.42(17) . . ?
Ag0K S01L Ag15 65.28(15) . . ?
Ag7 S01L Ag12 14.64(11) . . ?
Ag7 S01L Ag15 151.7(2) . . ?
C08W S01L Ag0K 121.3(8) . . ?
C08W S01L Ag7 107.3(8) . . ?
C08W S01L Ag12 97.6(8) . . ?
C08W S01L Ag15 95.0(9) . . ?
Ag15 S01L Ag12 148.4(2) . . ?
Ag0K S01S Ag7 84.5(3) . . ?
C67 S01S Ag0K 133.8(9) . . ?
C67 S01S Ag7 105.9(9) . . ?
C034 C01Y C06M 120.0(14) . . ?
C023 C01Z C02Q 119.3(13) . . ?
C045 C01Z C023 119.3(14) . . ?
C045 C01Z C02Q 121.2(14) . . ?
C026 C020 C079 119.9(14) . . ?
C02K C021 P011 123.3(11) . . ?
C02K C021 C071 120.4(14) . . ?
C071 C021 P011 116.3(11) . . ?
C03R C022 P019 120.6(11) . . ?
C04O C022 P019 119.2(12) . . ?
C04O C022 C03R 120.2(15) . . ?
C01Z C023 S00T 119.4(11) . . ?
C03X C023 S00T 119.6(11) . . ?
C03X C023 C01Z 120.6(14) . . ?
P01A C024 P016 114.1(7) . . ?
C02E C025 P00Y 118.8(11) . . ?
C02E C025 C039 118.2(14) . . ?
C039 C025 P00Y 123.0(11) . . ?
C020 C026 P00Z 122.1(12) . . ?
C06N C026 P00Z 116.6(12) . . ?
C06N C026 C020 121.3(15) . . ?
C053 C027 P00Y 119.5(11) . . ?
C072 C027 P00Y 122.3(12) . . ?
C072 C027 C053 118.2(14) . . ?
C02V C028 P011 122.8(11) . . ?
C02V C028 C04R 117.7(15) . . ?
C04R C028 P011 119.4(12) . . ?
C047 C029 C04G 115.8(14) . . ?
C047 C029 B09S 126.2(13) . . ?
C04G C029 B09S 117.4(13) . . ?
C02I C02A C02T 120.5(15) . . ?
C048 C02B P00Z 123.3(13) . . ?
C07K C02B P00Z 121.2(13) . . ?
C07K C02B C048 115.5(16) . . ?
C05O C02C C02K 120.1(16) . . ?
C05R C02D C04P 120.0(14) . . ?
C025 C02E C03L 122.5(14) . . ?
C03S C02F P013 125.1(11) . . ?
C059 C02F P013 116.3(12) . . ?
C059 C02F C03S 118.4(14) . . ?
C05R C02G C04F 119.3(14) . . ?
C05R C02G C05U 118.5(14) . . ?
C05U C02G C04F 122.1(13) . . ?
C03K C02H C06L 122.0(14) . . ?
C07C C02H C03K 115.6(16) . . ?
C07C C02H C06L 122.5(16) . . ?
C02A C02I P019 125.2(11) . . ?
C02A C02I C05S 120.1(14) . . ?
C05S C02I P019 114.7(11) . . ?
C036 C02J P017 119.2(11) . . ?
C09L C02J P017 124.7(13) . . ?
C09L C02J C036 116.1(15) . . ?
C021 C02K C02C 119.8(14) . . ?
C03I C02L C07X 119.8(15) . . ?
P00U C02M P015 115.3(8) . . ?
C03A C02N P00U 126.0(13) . . ?
C07N C02N P00U 118.5(13) . . ?
C07N C02N C03A 115.6(16) . . ?
C04Z C02O P013 118.6(11) . . ?
C05Y C02O P013 123.8(13) . . ?
C05Y C02O C04Z 117.5(15) . . ?
C044 C02P C04T 120.0(17) . . ?
C04T C02R B08Y 123.8(14) . . ?
C06P C02R C04T 115.7(15) . . ?
C06P C02R B08Y 120.3(14) . . ?
C054 C02S S01C 118.0(13) . . ?
C05P C02S S01C 122.0(15) . . ?
C05P C02S C054 120.1(17) . . ?
C07B C02T C02A 122.1(16) . . ?
C03U C02U P00U 120.0(12) . . ?
C065 C02U P00U 122.4(11) . . ?
C065 C02U C03U 117.5(14) . . ?
C051 C02V C028 120.3(15) . . ?
C03O C02W C042 121.1(14) . . ?
C063 C02W C03O 118.5(14) . . ?
C063 C02W C042 120.4(15) . . ?
C061 C02X P01B 120.1(13) . . ?
C061 C02X C09T 114.3(16) . . ?
C09T C02X P01B 125.5(13) . . ?
C032 C02Y C09F 135.6(17) . . ?
C05V C02Y C032 112.6(15) . . ?
C05V C02Y C09F 111.7(16) . . ?
C033 C02Z C041 122.3(14) . . ?
C033 C02Z C05J 119.0(15) . . ?
C05J C02Z C041 118.7(15) . . ?
C04J C032 C02Y 118.9(18) . . ?
C02Z C033 S018 120.2(11) . . ?
C02Z C033 C04L 121.9(14) . . ?
C04L C033 S018 117.8(11) . . ?
C01Y C034 P015 122.4(12) . . ?
C01Y C034 C067 119.5(14) . . ?
C067 C034 P015 118.0(11) . . ?
P01B C035 P013 115.5(8) . . ?
C06T C036 C02J 120.6(15) . . ?
C04C C037 C069 122.6(16) . . ?
C06U C038 C05P 120.9(19) . . ?
C05C C039 C025 120.4(14) . . ?
C02N C03A C082 121.9(17) . . ?
C08D C03B C04H 121.0(15) . . ?
C084 C03D C040 118.5(18) . . ?
C047 C03E C05W 118.9(17) . . ?
P00Y C03F P017 114.1(8) . . ?
C04S C03H C064 121.3(15) . . ?
C02L C03I P014 122.0(12) . . ?
C080 C03I P014 118.9(13) . . ?
C080 C03I C02L 118.9(16) . . ?
C04P C03J C04N 118.5(13) . . ?
C05U C03J C04N 123.0(13) . . ?
C05U C03J C04P 118.4(14) . . ?
C02H C03K S00V 116.9(12) . . ?
C07O C03K S00V 119.9(14) . . ?
C07O C03K C02H 123.1(16) . . ?
C05G C03L C02E 117.5(15) . . ?
C04B C03M P014 121.9(13) . . ?
C09P C03M P014 119.2(14) . . ?
C09P C03M C04B 118.6(17) . . ?
C05Q C03N C06Z 124.4(16) . . ?
C02W C03O S00X 120.1(11) . . ?
C05B C03O S00X 120.2(11) . . ?
C05B C03O C02W 119.6(14) . . ?
C08J C03P P016 123.5(18) . . ?
C08J C03P C099 113.9(19) . . ?
C099 C03P P016 122.6(15) . . ?
C06V C03Q C04M 119.7(17) . . ?
C077 C03R C022 119.5(16) . . ?
C05E C03S C02F 120.0(14) . . ?
C063 C03T C049 117.9(15) . . ?
C05D C03U C02U 121.0(17) . . ?
C07H C03V C06S 116.4(14) . . ?
C06C C03W P01B 117.2(14) . . ?
C08H C03W P01B 125.0(13) . . ?
C08H C03W C06C 117.6(16) . . ?
C023 C03X C04V 125.9(14) . . ?
C023 C03X C05H 116.5(14) . . ?
C05H C03X C04V 117.5(14) . . ?
C07A C03Y C04L 120.8(17) . . ?
C06Z C03Z C08G 117.5(17) . . ?
C03D C040 C07Y 117.0(17) . . ?
C06Y C040 C03D 119.9(16) . . ?
C06Y C040 C07Y 122.9(15) . . ?
C02P C044 C074 117.1(16) . . ?
C01Z C045 C05I 121.0(15) . . ?
C04Q C046 C03C 115.6(14) . . ?
C056 C046 C03C 125.6(14) . . ?
C056 C046 C04Q 118.8(15) . . ?
C03E C047 C029 123.9(16) . . ?
C078 C048 C02B 121.7(17) . . ?
C05B C049 C03T 120.4(14) . . ?
C08I C04A C05D 120.3(16) . . ?
C06J C04B C03M 120.6(19) . . ?
C037 C04C C05N 115.2(13) . . ?
C037 C04C B08Y 123.7(13) . . ?
C05N C04C B08Y 120.5(13) . . ?
C05K C04E C06Q 119.3(16) . . ?
C04W C04G C029 123.1(16) . . ?
C03B C04H P01A 123.6(12) . . ?
C06F C04H P01A 119.8(13) . . ?
C06F C04H C03B 116.5(15) . . ?
C055 C04I C056 120.0(16) . . ?
C055 C04I C087 118.5(16) . . ?
C056 C04I C087 121.5(14) . . ?
C07P C04J C032 122(2) . . ?
C06D C04K C04U 119.4(16) . . ?
C033 C04L C070 125.6(15) . . ?
C03Y C04L C033 117.2(15) . . ?
C03Y C04L C070 117.1(15) . . ?
C03Q C04M C07U 120.5(15) . . ?
C06E C04M C03Q 118.4(15) . . ?
C06E C04M C07U 120.9(14) . . ?
C09K C04O C022 119.3(18) . . ?
C02D C04P C03J 121.5(14) . . ?
C046 C04Q C07W 120.4(15) . . ?
C028 C04R C82 118.8(17) . . ?
C07H C04S C03H 118.8(15) . . ?
C02P C04T C02R 122.4(17) . . ?
C053 C04U C04K 120.4(16) . . ?
C04G C04W C05W 119.1(16) . . ?
C07Q C04X C062 119.3(16) . . ?
C07J C04Y B08Y 121.7(14) . . ?
C08M C04Y C07J 115.3(16) . . ?
C08M C04Y B08Y 122.9(15) . . ?
C07E C04Z C02O 119.9(16) . . ?
C06G C050 C06Y 118.8(16) . . ?
C06G C050 C07V 121.7(16) . . ?
C06Y C050 C07V 119.5(14) . . ?
C06H C051 C02V 122.1(17) . . ?
C043 C052 C07F 120.0 . . ?
C052 C043 P016 124.1(7) . . ?
C052 C043 C08Z 120.0 . . ?
C08Z C043 P016 115.8(7) . . ?
C0A4 C08Z C043 120.0 . . ?
C08Z C0A4 C090 120.0 . . ?
C0A4 C090 C07F 120.0 . . ?
C090 C07F C052 120.0 . . ?
C04U C053 C027 119.7(15) . . ?
C02S C054 C09Q 109.4(14) . . ?
C08S C054 C02S 113.7(15) . . ?
C08S C054 C09Q 136.7(17) . . ?
C07W C055 C04I 121.4(17) . . ?
C046 C056 S012 121.3(12) . . ?
C046 C056 C04I 121.0(14) . . ?
C04I C056 S012 117.6(12) . . ?
C07K C057 C07M 119.0(18) . . ?
P014 C058 P011 113.6(7) . . ?
C02F C059 C06O 121.6(17) . . ?
C07B C05A C05S 123.2(17) . . ?
C03O C05B C08F 123.2(15) . . ?
C049 C05B C03O 120.3(14) . . ?
C049 C05B C08F 116.5(14) . . ?
C05G C05C C039 119.2(15) . . ?
C03U C05D C04A 119.9(18) . . ?
C08C C05E C03S 119.2(15) . . ?
C03L C05G C05C 122.0(15) . . ?
C05I C05H C03X 122.3(15) . . ?
C05H C05I C045 120.1(16) . . ?
C07A C05J C02Z 118.3(17) . . ?
C04E C05K P017 116.8(12) . . ?
C04E C05K C086 117.7(15) . . ?
C086 C05K P017 125.2(12) . . ?
C06W C05L C06F 120.0(16) . . ?
C07Z C05M C085 118.1(19) . . ?
C05X C05N C04C 121.1(16) . . ?
C09B C05O C02C 122.7(19) . . ?
C02S C05P C038 124.2(19) . . ?
C02S C05P C09V 118.5(17) . . ?
C038 C05P C09V 117.3(17) . . ?
C03N C05Q C09A 115.4(15) . . ?
C03N C05Q B09S 120.2(14) . . ?
C09A C05Q B09S 124.3(15) . . ?
C02D C05R C02G 120.0(15) . . ?
C05A C05S C02I 116.7(14) . . ?
C062 C05T C073 122.9(15) . . ?
C02G C05U S010 114.7(11) . . ?
C03J C05U S010 124.0(12) . . ?
C03J C05U C02G 121.3(14) . . ?
C02Y C05V S01E 116.2(14) . . ?
C066 C05V S01E 121.4(16) . . ?
C066 C05V C02Y 122.2(18) . . ?
C04W C05W C03E 119.0(16) . . ?
C07I C05X C05N 121.7(18) . . ?
C02O C05Y C075 124.0(18) . . ?
C06M C05Z C08A 121.2(16) . . ?
C07T C060 C08Q 114.6(15) . . ?
C07T C060 B09S 124.9(15) . . ?
C08Q C060 B09S 120.1(14) . . ?
C096 C061 C02X 123.0(17) . . ?
C05T C062 C04X 118.5(17) . . ?
C02W C063 C03T 123.3(16) . . ?
C06S C064 C03H 118.4(15) . . ?
C08I C065 C02U 122.4(14) . . ?
C05V C066 C0A9 116.9(18) . . ?
C07P C066 C05V 121(2) . . ?
C07P C066 C0A9 122.2(17) . . ?
C08A C067 C034 120.5(15) . . ?
C06E C068 C081 119.2(17) . . ?
C06E C068 C08B 121.1(15) . . ?
C081 C068 C08B 119.7(16) . . ?
C07I C069 C037 119.8(17) . . ?
C083 C06A B09S 121.3(15) . . ?
C08O C06A C083 116.2(16) . . ?
C08O C06A B09S 122.2(15) . . ?
C03W C06C C07Z 121.6(18) . . ?
C072 C06D C04K 121.5(16) . . ?
C04M C06E S00W 120.5(12) . . ?
C068 C06E S00W 120.1(12) . . ?
C068 C06E C04M 119.4(15) . . ?
C04H C06F C05L 121.8(16) . . ?
C084 C06G C050 122.1(18) . . ?
C051 C06H C82 120.3(18) . . ?
P00Z C06I P019 115.4(8) . . ?
C09J C06J C04B 120(2) . . ?
C08L C06K C06Q 119.4(19) . . ?
C05Z C06M C01Y 119.2(15) . . ?
C026 C06N C09R 119.0(17) . . ?
C08C C06O C059 116.6(17) . . ?
C074 C06P C02R 123.8(16) . . ?
C06K C06Q C04E 120.3(18) . . ?
C064 C06S C03V 121.9(15) . . ?
C06X C06T C036 122.2(17) . . ?
C038 C06U C08S 117.8(18) . . ?
C03Q C06V C081 123.4(18) . . ?
C05L C06W C08D 120.2(15) . . ?
C06T C06X C09D 119.8(18) . . ?
C040 C06Y S00S 122.2(12) . . ?
C040 C06Y C050 118.7(15) . . ?
C050 C06Y S00S 119.1(12) . . ?
C03Z C06Z C03N 120.2(17) . . ?
C021 C071 C09B 118.2(17) . . ?
C06D C072 C027 120.8(16) . . ?
C05T C073 B08Y 119.2(13) . . ?
C07G C073 C05T 116.6(14) . . ?
C07G C073 B08Y 124.1(14) . . ?
C06P C074 C044 120.0(17) . . ?
C07R C075 C05Y 118.0(18) . . ?
C077 C076 C09K 118.8(18) . . ?
C03R C077 C076 120.2(18) . . ?
C07M C078 C048 120.3(17) . . ?
C09O C079 C020 117.1(15) . . ?
C03Y C07A C05J 122.6(18) . . ?
C02T C07B C05A 117.2(16) . . ?
C09H C07C C02H 124(2) . . ?
C09E C07D P01A 121.8(16) . . ?
C09E C07D C09Z 115(2) . . ?
C09Z C07D P01A 123.0(17) . . ?
C04Z C07E C07R 119.5(18) . . ?
C07Q C07G C073 122.9(16) . . ?
C03V C07H P015 116.0(12) . . ?
C04S C07H P015 120.2(13) . . ?
C04S C07H C03V 123.2(15) . . ?
C069 C07I C05X 119.4(18) . . ?
C091 C07J C04Y 120.8(18) . . ?
C02B C07K C057 124.1(18) . . ?
C078 C07M C057 119.2(17) . . ?
C02N C07N C0A6 123.7(19) . . ?
C03K C07O C098 126.3(17) . . ?
C03K C07O C0A0 113.6(17) . . ?
C0A0 C07O C098 120.1(17) . . ?
C04J C07P C066 124(2) . . ?
C07G C07Q C04X 119.7(16) . . ?
C075 C07R C07E 121.0(18) . . ?
C096 C07S C08U 118.5(17) . . ?
C095 C07T C060 125(2) . . ?
C055 C07W C04Q 118.3(15) . . ?
C09X C07X C02L 117.7(17) . . ?
C05M C07Z C06C 121.1(19) . . ?
C03I C080 C0AA 121(2) . . ?
C06V C081 C068 119.9(18) . . ?
C09C C082 C03A 118.3(19) . . ?
C06A C083 C09M 119.5(18) . . ?
C06G C084 C03D 121.7(18) . . ?
C08H C085 C05M 121.5(18) . . ?
C05K C086 C08L 120.7(17) . . ?
C067 C08A C05Z 119.4(16) . . ?
C05E C08C C06O 124.1(16) . . ?
C03B C08D C06W 120.4(16) . . ?
C08Q C08E C08T 120(2) . . ?
C09A C08G C03Z 120.8(18) . . ?
C03W C08H C085 119.7(17) . . ?
C04A C08I C065 118.7(15) . . ?
C03P C08J C0AE 122(2) . . ?
C06K C08L C086 122(2) . . ?
C04Y C08M C09W 122.1(18) . . ?
C09N C08N C09M 115(2) . . ?
C06A C08O C09N 123.8(19) . . ?
C08E C08Q C060 120.8(18) . . ?
C054 C08S C06U 123.3(18) . . ?
C095 C08T C08E 121(2) . . ?
C09T C08U C07S 118.7(18) . . ?
C097 C08W S01L 133.0(13) . . ?
C097 C08W C05F 120.0 . . ?
C05F C08W S01L 106.4(13) . . ?
C08W C097 C089 120.0 . . ?
C08W C097 C213 111.3(19) . . ?
C089 C097 C213 128.2(19) . . ?
C088 C089 C097 120.0 . . ?
C089 C088 C092 120.0 . . ?
C05F C092 C088 120.0 . . ?
C08W C05F C66 134.0(18) . . ?
C092 C05F C08W 120.0 . . ?
C092 C05F C66 105.5(17) . . ?
C02R B08Y C04C 113.1(12) . . ?
C02R B08Y C073 109.6(12) . . ?
C04C B08Y C073 102.0(12) . . ?
C04Y B08Y C02R 106.7(12) . . ?
C04Y B08Y C04C 113.0(13) . . ?
C04Y B08Y C073 112.4(12) . . ?
C09G C091 C07J 124(2) . . ?
C07T C095 C08T 118(2) . . ?
C07S C096 C061 122.0(18) . . ?
C0AD C099 C03P 122(2) . . ?
C08G C09A C05Q 121.5(18) . . ?
C05O C09B C071 119(2) . . ?
C082 C09C C0A6 123(2) . . ?
C06X C09D C09L 121.9(18) . . ?
C07D C09E C0A1 124(2) . . ?
C091 C09G C09W 115(2) . . ?
C0A0 C09H C07C 118(2) . . ?
C09J C09I C09P 119(2) . . ?
C06J C09J C09I 122(2) . . ?
C04O C09K C076 121.9(19) . . ?
C09D C09L C02J 118.7(17) . . ?
C08N C09M C083 123(2) . . ?
C08N C09N C08O 122(2) . . ?
C09R C09O C079 118.5(18) . . ?
C03M C09P C09I 119(2) . . ?
C09O C09R C06N 124.2(19) . . ?
C029 B09S C06A 104.8(12) . . ?
C05Q B09S C029 111.5(13) . . ?
C05Q B09S C060 103.5(12) . . ?
C05Q B09S C06A 113.0(13) . . ?
C060 B09S C029 112.9(12) . . ?
C060 B09S C06A 111.4(13) . . ?
C08U C09T C02X 123.0(18) . . ?
C09G C09W C08M 123(2) . . ?
C0AA C09X C07X 121(2) . . ?
C07D C09Z C0A3 115(2) . . ?
C09H C0A0 C07O 125.9(19) . . ?
C0AC C0A1 C09E 120(2) . . ?
C0AC C0A3 C09Z 126(2) . . ?
C09C C0A6 C07N 118(2) . . ?
C0AD C0A8 C0AE 118(2) . . ?
C09X C0AA C080 122(2) . . ?
C0A3 C0AC C0A1 121(2) . . ?
C0A8 C0AD C099 122(2) . . ?
C0A8 C0AE C08J 121(2) . . ?
Ag07 S43 Ag9 83.1(3) . . ?
C79 S43 Ag07 130.5(8) . . ?
C79 S43 Ag9 98.5(8) . . ?
C56 C43 S01J 113.7(12) . . ?
C56 C43 C08P 120.0 . . ?
C08P C43 S01J 126.3(12) . . ?
C43 C56 C08K 124.8(17) . . ?
C64 C56 C08K 115.2(17) . . ?
C64 C56 C43 120.0 . . ?
C06R C64 C56 120.0 . . ?
C08R C06R C64 120.0 . . ?
C06R C08R C08P 120.0 . . ?
C43 C08P C47 119.4(19) . . ?
C08R C08P C47 120.3(19) . . ?
C08R C08P C43 120.0 . . ?
C06H C82 C04R 120.9(18) . . ?
C61 C79 S43 117.2(13) . . ?
C61 C79 C73 120.0 . . ?
C73 C79 S43 122.8(13) . . ?
C79 C61 C131 129.8(17) . . ?
C52 C61 C79 120.0 . . ?
C52 C61 C131 110.2(17) . . ?
C61 C52 C88 120.0 . . ?
C99 C88 C52 120.0 . . ?
C88 C99 C73 120.0 . . ?
C79 C73 C101 113.7(19) . . ?
C99 C73 C79 120.0 . . ?
C99 C73 C101 125.8(19) . . ?
C185 C67 S01S 135.6(13) . . ?
C185 C67 C27 120.0 . . ?
C27 C67 S01S 104.4(13) . . ?
C67 C185 C158 103.2(18) . . ?
C59 C185 C67 120.0 . . ?
C59 C185 C158 136.8(18) . . ?
C81 C59 C185 120.0 . . ?
C18 C81 C59 120.0 . . ?
C81 C18 C27 120.0 . . ?
C67 C27 C84 138.9(19) . . ?
C18 C27 C67 120.0 . . ?
C18 C27 C84 100.6(18) . . ?
Ag07 Ag10 Ag09 52.88(6) . . ?
Ag0M Ag10 Ag07 56.68(9) . . ?
Ag0M Ag10 Ag09 64.96(8) . . ?
P01B Ag10 Ag07 125.4(3) . . ?
P01B Ag10 Ag09 151.29(19) . . ?
P01B Ag10 Ag0M 90.02(15) . . ?
P01B Ag10 S01C 113.8(2) . . ?
S01C Ag10 Ag07 82.03(17) . . ?
S01C Ag10 Ag09 94.69(14) . . ?
S01C Ag10 Ag0M 138.5(2) . . ?
Ag0K Ag11 S01J 104.84(16) . . ?
Ag0K Ag11 Ag15 60.47(12) . . ?
P016 Ag11 Ag0K 146.21(17) . . ?
P016 Ag11 S01J 105.8(2) . . ?
P016 Ag11 Ag15 89.87(14) . . ?
S01J Ag11 Ag15 125.7(3) . . ?
Ag0D Ag12 Ag08 52.40(8) . . ?
Ag3 Ag12 Ag08 61.70(17) . . ?
Ag3 Ag12 Ag0D 59.2(2) . . ?
Ag3 Ag12 S01L 140.9(4) . . ?
Ag3 Ag12 Ag18 4.6(3) . . ?
Ag7 Ag12 Ag08 106.2(6) . . ?
Ag7 Ag12 Ag0D 56.3(5) . . ?
Ag7 Ag12 Ag3 96.6(6) . . ?
Ag7 Ag12 P014 88.0(4) . . ?
Ag7 Ag12 S01L 59.0(4) . . ?
Ag7 Ag12 Ag18 92.3(6) . . ?
P014 Ag12 Ag08 152.2(3) . . ?
P014 Ag12 Ag0D 127.5(4) . . ?
P014 Ag12 Ag3 93.5(2) . . ?
P014 Ag12 S01L 113.7(3) . . ?
P014 Ag12 Ag18 91.60(19) . . ?
S01L Ag12 Ag08 94.03(16) . . ?
S01L Ag12 Ag0D 81.7(3) . . ?
S01L Ag12 Ag18 139.1(5) . . ?
Ag18 Ag12 Ag08 64.59(19) . . ?
Ag18 Ag12 Ag0D 57.48(19) . . ?
Ag03 Ag13 Ag0B 61.5(4) . . ?
Ag03 Ag13 Ag14 60.1(4) . . ?
Ag0B Ag13 Ag14 55.95(18) . . ?
S018 Ag13 Ag03 140.7(7) . . ?
S018 Ag13 Ag0B 90.8(6) . . ?
S018 Ag13 P019 127.6(4) . . ?
S018 Ag13 Ag14 81.6(8) . . ?
P019 Ag13 Ag03 91.3(3) . . ?
P019 Ag13 Ag0B 131.2(17) . . ?
P019 Ag13 Ag14 144.3(13) . . ?
Ag01 Ag14 Ag06 143.8(3) . . ?
Ag01 Ag14 Ag0C 60.09(11) . . ?
Ag01 Ag14 Ag13 111.3(9) . . ?
Ag03 Ag14 Ag01 71.17(11) . . ?
Ag03 Ag14 Ag06 133.31(16) . . ?
Ag03 Ag14 Ag0C 116.39(17) . . ?
Ag03 Ag14 Ag13 55.9(3) . . ?
Ag0B Ag14 Ag01 57.56(10) . . ?
Ag0B Ag14 Ag03 61.37(9) . . ?
Ag0B Ag14 Ag06 106.2(3) . . ?
Ag0B Ag14 Ag0C 58.90(15) . . ?
Ag0B Ag14 Ag13 59.9(10) . . ?
Ag0C Ag14 Ag06 83.7(2) . . ?
Ag0C Ag14 Ag13 106.9(8) . . ?
S00T Ag14 Ag01 143.5(2) . . ?
S00T Ag14 Ag03 129.3(3) . . ?
S00T Ag14 Ag06 49.05(13) . . ?
S00T Ag14 Ag0B 154.9(3) . . ?
S00T Ag14 Ag0C 114.1(2) . . ?
S00T Ag14 Ag13 104.8(9) . . ?
Ag13 Ag14 Ag06 78.5(5) . . ?
Ag0K Ag15 Ag11 54.76(10) . . ?
S00W Ag15 Ag0K 92.57(12) . . ?
S00W Ag15 S01L 99.5(3) . . ?
S00W Ag15 Ag11 138.04(17) . . ?
P01A Ag15 Ag0K 142.31(16) . . ?
P01A Ag15 S00W 125.03(19) . . ?
P01A Ag15 S01L 112.1(3) . . ?
P01A Ag15 Ag11 91.94(13) . . ?
S01L Ag15 Ag0K 51.61(17) . . ?
S01L Ag15 Ag11 80.9(2) . . ?
Ag04 Ag16 Ag05 60.4(8) . . ?
Ag04 Ag16 Ag0F 56.0(4) . . ?
Ag05 Ag16 Ag0F 67.4(6) . . ?
P017 Ag16 Ag04 143(2) . . ?
P017 Ag16 Ag05 87.6(6) . . ?
P017 Ag16 Ag0F 130(3) . . ?
P017 Ag16 S01E 114(3) . . ?
S01E Ag16 Ag04 101.7(5) . . ?
S01E Ag16 Ag05 135(2) . . ?
S01E Ag16 Ag0F 69.1(14) . . ?
Ag07 Ag17 Ag06 154.5(8) . . ?
Ag0C Ag17 Ag06 90.5(6) . . ?
Ag0C Ag17 Ag07 64.3(3) . . ?
Ag0C Ag17 Ag0K 64.5(4) . . ?
Ag0K Ag17 Ag06 109.8(5) . . ?
Ag0K Ag17 Ag07 64.4(2) . . ?
S018 Ag17 Ag06 50.27(16) . . ?
S018 Ag17 Ag07 137.3(4) . . ?
S018 Ag17 Ag0C 118.1(6) . . ?
S018 Ag17 Ag0K 158.2(4) . . ?
Ag0D Ag18 Ag08 54.33(12) . . ?
Ag0D Ag18 Ag7 57.48(12) . . ?
Ag7 Ag18 Ag08 69.24(18) . . ?
S00X Ag18 Ag08 75.2(2) . . ?
S00X Ag18 Ag0D 88.29(18) . . ?
S00X Ag18 Ag7 140.7(3) . . ?
S00X Ag18 Ag12 139.4(4) . . ?
P011 Ag18 Ag08 146.4(4) . . ?
P011 Ag18 Ag0D 139.4(4) . . ?
P011 Ag18 Ag7 93.56(19) . . ?
P011 Ag18 S00X 125.7(2) . . ?
P011 Ag18 Ag12 91.7(2) . . ?
Ag12 Ag18 Ag08 64.29(19) . . ?
Ag12 Ag18 Ag0D 66.9(3) . . ?
Ag12 Ag18 Ag7 14.50(17) . . ?
Ag01 Ag19 Ag02 61.58(17) . . ?
P00U Ag19 Ag01 139.4(3) . . ?
P00U Ag19 Ag02 89.2(2) . . ?
P00U Ag19 S010 118.5(3) . . ?
S010 Ag19 Ag01 98.1(3) . . ?
S010 Ag19 Ag02 149.7(3) . . ?

_platon_squeeze_details          ?
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 -0.004 0.130 0.000 1910 651 ' '
2 0.013 0.826 0.145 17 0 ' '
3 -0.010 0.678 0.360 11 0 ' '
4 -0.003 0.030 0.500 1945 661 ' '
5 0.010 0.322 0.640 11 0 ' '
6 -0.014 0.173 0.855 17 0 ' '
7 0.202 0.337 0.326 10 -1 ' '
8 0.216 0.830 0.828 12 -2 ' '
9 0.267 0.941 0.665 17 0 ' '
10 0.733 0.059 0.335 17 0 ' '
11 0.783 0.170 0.172 13 -1 ' '
12 0.798 0.663 0.674 10 -1 ' '

_platon_squeeze_void_probe_radius 1.20
_olex2_submission_special_instructions 'No special instructions were received'
