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

data_20190823d5_1_100_00
_database_code_depnum_ccdc_archive 'CCDC 1992657'
loop_
_audit_author_name
_audit_author_address
'Hai-Yang Li'
;Zhengzhou university
China
;
_audit_update_record             
;
2020-05-02 deposited with the CCDC.	2021-01-27 downloaded from the CCDC.
;
_audit_creation_date             2020-04-08
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C378 H300 Ag50 F36 P12 S43, 4(C5 H10 N2 O)'
_chemical_formula_sum            'C398 H340 Ag50 F36 N8 O4 P12 S43'
_chemical_formula_weight         13126.48
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C11 H10 N O'
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'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   30.0312(2)
_cell_length_b                   24.2172(2)
_cell_length_c                   33.2627(2)
_cell_angle_alpha                90
_cell_angle_beta                 95.4521(6)
_cell_angle_gamma                90
_cell_volume                     24081.5(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    69224
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      73.7390
_cell_measurement_theta_min      2.6800
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    18.494
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.869
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.27b (Rigaku Oxford Diffraction, 2015)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.810
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             12716
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
3 -15 -8 0.0840
5 -1 20 0.0746
-13 -6 15 0.0425
13 5 -16 0.0166
-1 16 2 0.0729
-19 -4 3 0.0469
-2 2 -21 0.0360
15 3 11 0.0846
6 -15 -4 0.0738
19 0 -4 0.0478
-18 4 5 0.0504
-9 4 19 0.0371

_exptl_crystal_size_max          0.156
_exptl_crystal_size_mid          0.142
_exptl_crystal_size_min          0.062
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
2.9814 -15.0182 -7.9961 -0.9472 0.3659 0.1810
4.5459 -0.9731 20.4797 -0.1417 -0.9809 -0.1628
-13.4699 -5.9720 14.5249 -0.1136 -0.5818 0.8014
12.9664 4.9698 -16.0226 0.0631 0.6556 -0.7573
-1.4933 16.0094 2.4952 0.9798 -0.1208 -0.2832
-18.9959 -3.9847 3.0423 0.1055 -0.0137 1.0028
-1.5477 1.9700 -21.4863 0.1470 1.0072 -0.0046
15.0264 3.0075 10.9597 -0.0932 -0.6104 -0.7686
6.4918 -15.0138 -3.5062 -1.0107 0.1342 0.0202
19.4945 -0.0175 -3.5414 -0.3527 0.0373 -0.9378
-18.4919 4.0196 4.5370 0.5728 -0.0937 0.8018
-9.4597 4.0344 18.5097 0.4094 -0.8023 0.3918

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0792
_diffrn_reflns_av_unetI/netI     0.0585
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       35
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_number            139943
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        65.500
_diffrn_reflns_theta_max         65.500
_diffrn_reflns_theta_min         2.348
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -83.00 -56.00   0.25    0.25    --    0.00 -38.00-150.00  108
  2  ω    -12.00  41.00   0.25    0.25    --    0.00  82.00 120.00  212
  3  ω    -40.00  17.00   0.25    0.25    --    0.00 -38.00  30.00  228
  4  ω    -72.00 -47.00   0.25    0.25    --    0.00 -38.00  30.00  100
  5  ω    -89.00  12.00   0.25    0.25    --    0.00 -38.00 -60.00  404
  6  ω     67.00 115.00   0.25    2.00    --   95.20 -15.00 -30.00  192
  7  ω     11.00  48.00   0.25    2.00    --   95.20 -15.00 -30.00  148
  8  ω     65.00 104.00   0.25    2.00    --   95.20 -45.00 -30.00  156
  9  ω     68.00  99.00   0.25    2.00    --   95.20  77.00   0.00  124
 10  ω      6.00 115.00   0.25    2.00    --   95.20 -30.00 -30.00  436
 11  ω    128.00 178.00   0.25    2.00    --   95.20  77.00   0.00  200
 12  ω      7.00 127.00   0.25    2.00    --   95.20 -82.00 -60.00  480
 13  ω      7.00  54.00   0.25    2.00    --   95.20 -61.00-120.00  188
 14  ω     21.00  49.00   0.25    2.00    --   95.20 -45.00 -30.00  112
 15  ω     86.00 173.00   0.25    2.00    --   95.20  77.00 -60.00  348
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC12 (RINC): Kappa single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0180543000
_diffrn_orient_matrix_UB_12      0.0595318000
_diffrn_orient_matrix_UB_13      -0.0000846000
_diffrn_orient_matrix_UB_21      -0.0065338000
_diffrn_orient_matrix_UB_22      -0.0009100000
_diffrn_orient_matrix_UB_23      -0.0464873000
_diffrn_orient_matrix_UB_31      -0.0478361000
_diffrn_orient_matrix_UB_32      -0.0224019000
_diffrn_orient_matrix_UB_33      0.0016047000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                34574
_reflns_number_total             41335
_reflns_odcompleteness_completeness 99.87
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_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       'CrysAlisPro 1.171.39.27b (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.39.27b (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.39.27b (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         3.507
_refine_diff_density_min         -2.311
_refine_diff_density_rms         0.241
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.084
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2445
_refine_ls_number_reflns         41335
_refine_ls_number_restraints     710
_refine_ls_R_factor_all          0.0952
_refine_ls_R_factor_gt           0.0867
_refine_ls_restrained_S_all      1.097
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1621P)²+163.6168P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2486
_refine_ls_wR_factor_ref         0.2581
_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
 N8-C205 = N7-C202 = C202-C205
 1.5 with sigma of 0.01
 O4-C203 = O2-C195
 1.25 with sigma of 0.01
3. Restrained planarity
 F18, C134, C135, C136, C137, C138, C139
 with sigma of 0.01
 O2, N1, N3, C189, C190, C193, C195, C207
 with sigma of 0.01
 O4, N7, N8, C201, C202, C203, C204, C205
 with sigma of 0.01
4. Rigid bond restraints
 C171, C172
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
 C115, C116, C117, C118, C119, C120
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
5. Uiso/Uaniso restraints and constraints
O4 \\sim N7 \\sim N8 \\sim C201 \\sim C202 \\sim C203 \\sim C204 \\sim C205:
within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02
O2 \\sim N1 \\sim N3 \\sim C189 \\sim C190 \\sim C193 \\sim C195 \\sim C207:
within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02
C177 \\sim C178 \\sim C179 \\sim C180 \\sim C181 \\sim C182: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02
C169 \\sim C170 \\sim C171 \\sim C173 \\sim C174: within 2A with sigma of 0.01
and sigma for terminal atoms of 0.02
C39 \\sim C42 \\sim C43 \\sim C44: within 2A with sigma of 0.01 and sigma for
terminal atoms of 0.02
C115 \\sim C116 \\sim C117 \\sim C118 \\sim C119 \\sim C120: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02
F18 \\sim C134 \\sim C135 \\sim C137: within 2A with sigma of 0.01 and sigma
for terminal atoms of 0.02
C172 \\sim C173: within 2A with sigma of 0.01 and sigma for terminal atoms of
0.02
F17 \\sim C127 \\sim C128 \\sim C129: within 2A with sigma of 0.01 and sigma
for terminal atoms of 0.02
C60 \\sim C79 \\sim C108 \\sim C148 \\sim C168 \\sim C196: within 2A with sigma
of 0.01 and sigma for terminal atoms of 0.02
F18 \\sim C134 \\sim C135 \\sim C136 \\sim C137 \\sim C138 \\sim C139: within
2A with sigma of 0.01 and sigma for terminal atoms of 0.02
F17 \\sim C124 \\sim C125 \\sim C126 \\sim C127 \\sim C128 \\sim C129: within
2A with sigma of 0.01 and sigma for terminal atoms of 0.02
F12 \\sim C28 \\sim C159 \\sim C160 \\sim C166: within 2A with sigma of 0.01
and sigma for terminal atoms of 0.02
C147 \\sim C158 \\sim C183 \\sim C187 \\sim C198: within 2A with sigma of 0.01
and sigma for terminal atoms of 0.02
F12 \\sim C28 \\sim C32 \\sim C114 \\sim C159 \\sim C160 \\sim C166: within 2A
with sigma of 0.01 and sigma for terminal atoms of 0.02
C120 \\sim C119 \\sim C117 \\sim C116 \\sim C115 \\sim C118: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02
C165 \\sim C184 \\sim C150 \\sim C133 \\sim C70 \\sim C72: within 2A with sigma
of 0.01 and sigma for terminal atoms of 0.02
C115 \\sim C116 \\sim C117 \\sim C118 \\sim C119 \\sim C120: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(F12) \\sim Ueq, Uanis(F16) \\sim Ueq, Uanis(F17) \\sim Ueq, Uanis(C108)
\\sim Ueq, Uanis(C196) \\sim Ueq: with sigma of 0.005 and sigma for terminal
atoms of 0.01
Uanis(F6) \\sim Ueq, Uanis(F12) \\sim Ueq, Uanis(F16) \\sim Ueq, Uanis(F17)
\\sim Ueq, Uanis(F18) \\sim Ueq, Uanis(C58) \\sim Ueq, Uanis(C91) \\sim Ueq,
Uanis(C98) \\sim Ueq, Uanis(C102) \\sim Ueq, Uanis(C115) \\sim Ueq, Uanis(C116)
\\sim Ueq, Uanis(C117) \\sim Ueq, Uanis(C118) \\sim Ueq, Uanis(C119) \\sim Ueq,
Uanis(C120) \\sim Ueq, Uanis(C123) \\sim Ueq, Uanis(C128) \\sim Ueq,
Uanis(C129) \\sim Ueq, Uanis(C134) \\sim Ueq, Uanis(C135) \\sim Ueq,
Uanis(C136) \\sim Ueq, Uanis(C137) \\sim Ueq, Uanis(C144) \\sim Ueq,
Uanis(C145) \\sim Ueq, Uanis(C149) \\sim Ueq, Uanis(C154) \\sim Ueq,
Uanis(C159) \\sim Ueq, Uanis(C160) \\sim Ueq, Uanis(C162) \\sim Ueq,
Uanis(C163) \\sim Ueq, Uanis(C166) \\sim Ueq, Uanis(C176) \\sim Ueq,
Uanis(C183) \\sim Ueq, Uanis(C185) \\sim Ueq, Uanis(C186) \\sim Ueq,
Uanis(C198) \\sim Ueq, Uanis(F12) \\sim Ueq, Uanis(F16) \\sim Ueq, Uanis(F17)
\\sim Ueq, Uanis(C100) \\sim Ueq, Uanis(C172) \\sim Ueq, Uanis(F12) \\sim Ueq,
Uanis(F16) \\sim Ueq, Uanis(F17) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
6. Others
 Sof(Ag27)=Sof(Ag28)=1-FVAR(1)
 Sof(Ag7)=Sof(Ag22)=FVAR(1)
 Fixed Sof: Ag25(0.5) Ag26(0.5) S22(0.5)
7.a Secondary CH2 refined with riding coordinates:
 C27(H27A,H27B), C38(H38A,H38B), C48(H48A,H48B), C49(H49A,H49B), C97(H97A,
 H97B), C98(H98A,H98B), C103(H10A,H10B), C104(H10C,H10D), C175(H17A,H17B),
 C189(H18A,H18B), C190(H19A,H19B), C202(H20G,H20H), C205(H20L,H20M)
7.b Aromatic/amide H refined with riding coordinates:
 C8(H8), C9(H9), C13(H13), C17(H17), C18(H18), C19(H19), C21(H21), C22(H22),
 C23(H23), C24(H24), C26(H26), C29(H29), C30(H30), C31(H31), C32(H32), C35(H35),
  C37(H37), C40(H40), C41(H41), C42(H42), C43(H43), C44(H44), C45(H45),
 C47(H47), C50(H50), C51(H51), C52(H52), C53(H53), C55(H55), C56(H56), C57(H57),
  C58(H58), C59(H59), C61(H61), C62(H62), C64(H64), C65(H65), C66(H66),
 C69(H69), C70(H70), C71(H71), C72(H72), C74(H74), C75(H75), C76(H76), C77(H77),
  C78(H78), C79(H79), C80(H80), C81(H81), C82(H82), C83(H83), C84(H84),
 C85(H85), C86(H86), C87(H87), C88(H88), C89(H89), C90(H90), C91(H91), C92(H92),
  C94(H94), C95(H95), C100(H100), C101(H101), C102(H102), C106(H106),
 C107(H107), C108(H108), C109(H109), C110(H110), C111(H111), C112(H112),
 C113(H113), C114(H114), C116(H116), C117(H117), C118(H118), C119(H119),
 C120(H120), C123(H123), C124(H124), C126(H126), C127(H127), C129(H129),
 C130(H130), C134(H134), C136(H136), C137(H137), C139(H139), C141(H141),
 C142(H142), C143(H143), C144(H144), C145(H145), C146(H146), C147(H147),
 C148(H148), C149(H149), C150(H150), C151(H151), C152(H152), C153(H153),
 C155(H155), C156(H156), C157(H157), C158(H158), C160(H160), C162(H162),
 C163(H163), C164(H164), C165(H165), C166(H166), C167(H167), C168(H168),
 C169(H169), C170(H170), C172(H172), C173(H173), C176(H176), C177(H177),
 C178(H178), C179(H179), C180(H180), C181(H181), C183(H183), C184(H184),
 C185(H185), C186(H186), C187(H187), C196(H196), C198(H198)
7.c Fitted hexagon refined as free rotating group:
 C39(C40,C41,C42,C43,C44), C115(C116,C117,C118,C119,C120), C124(C125,C126,C127,
 C128,C129), C134(C135,C136,C137,C138,C139), C169(C170,C171,C172,C173,C174),
 C177(C178,C179,C180,C181,C182)
7.d Idealised Me refined as rotating group:
 C193(H19C,H19D,H19E), C201(H20D,H20E,H20F), C204(H20I,H20J,H20K), C207(H20A,
 H20B,H20C)
;
_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
Ag1 Ag 0.60951(2) 0.19852(3) 0.13575(2) 0.04093(17) Uani 1 1 d . . . . .
Ag2 Ag 0.61994(3) 0.32972(3) 0.13020(2) 0.04256(18) Uani 1 1 d . . . . .
Ag3 Ag 0.70138(2) 0.26119(3) 0.03580(2) 0.04148(17) Uani 1 1 d . . . . .
Ag4 Ag 0.51112(3) 0.28987(3) 0.02768(2) 0.04705(19) Uani 1 1 d . . . . .
Ag5 Ag 0.57090(3) 0.55968(3) 0.00570(3) 0.0526(2) Uani 1 1 d . . . . .
Ag6 Ag 0.45138(3) 0.40524(3) 0.10723(2) 0.0492(2) Uani 1 1 d . . . . .
Ag7 Ag 0.52751(3) 0.48605(3) -0.19089(2) 0.0413(3) Uani 0.890(3) 1 d . . P A 1
Ag8 Ag 0.51828(3) 0.33891(4) 0.23240(2) 0.0510(2) Uani 1 1 d . . . . .
Ag9 Ag 0.60006(3) 0.50328(3) 0.12219(3) 0.0519(2) Uani 1 1 d . . . . .
Ag10 Ag 0.65667(3) 0.25260(3) -0.10404(3) 0.0564(2) Uani 1 1 d . . . . .
Ag11 Ag 0.63593(3) 0.42763(3) 0.04813(2) 0.0509(2) Uani 1 1 d . . . . .
Ag12 Ag 0.50859(3) 0.44485(3) -0.10843(3) 0.0594(2) Uani 1 1 d . . . . .
Ag13 Ag 0.55402(3) 0.27850(4) -0.09793(3) 0.0575(2) Uani 1 1 d . . . . .
Ag14 Ag 0.66570(3) 0.37946(4) -0.04165(2) 0.0514(2) Uani 1 1 d . . . . .
Ag15 Ag 0.52241(3) 0.28480(4) 0.11578(2) 0.0583(2) Uani 1 1 d . . . . .
Ag16 Ag 0.46310(3) 0.34319(4) -0.07717(3) 0.0609(2) Uani 1 1 d . . . . .
Ag17 Ag 0.60365(3) 0.46895(4) -0.08116(3) 0.0585(2) Uani 1 1 d . . . . .
Ag18 Ag 0.44261(3) 0.41337(4) -0.17821(3) 0.0550(2) Uani 1 1 d . . . . .
Ag19 Ag 0.52575(4) 0.28616(4) -0.20456(3) 0.0708(3) Uani 1 1 d . . . . .
Ag20 Ag 0.58013(4) 0.38634(4) -0.14631(2) 0.0722(3) Uani 1 1 d . . . . .
Ag21 Ag 0.60461(3) 0.30270(4) 0.01585(3) 0.0638(3) Uani 1 1 d . . . . .
Ag22 Ag 0.45734(3) 0.48468(5) -0.26719(3) 0.0528(3) Uani 0.890(3) 1 d . . P A 1
Ag23 Ag 0.57400(4) 0.41333(4) 0.17669(3) 0.0686(3) Uani 1 1 d . . . . .
Ag24 Ag 0.52798(4) 0.45381(5) 0.06143(3) 0.0800(4) Uani 1 1 d . . . . .
Ag25 Ag 0.55044(6) 0.39113(7) -0.00283(4) 0.0500(4) Uani 0.5 1 d . . P A 1
Ag26 Ag 0.52562(6) 0.43866(7) -0.02506(4) 0.0474(4) Uani 0.5 1 d . . P A 2
Ag27 Ag 0.5172(3) 0.5340(4) -0.1867(2) 0.058(3) Uani 0.110(3) 1 d . . P A 2
Ag28 Ag 0.4716(3) 0.4498(3) -0.2520(2) 0.041(2) Uani 0.110(3) 1 d . . P A 2
S1 S 0.54739(8) 0.20675(9) 0.07746(7) 0.0366(5) Uani 1 1 d . . . . .
S2 S 0.66913(8) 0.25229(10) 0.10578(7) 0.0375(5) Uani 1 1 d . . . . .
S3 S 0.51912(9) 0.46963(10) 0.13556(7) 0.0445(6) Uani 1 1 d . . . . .
S4 S 0.64054(8) 0.24105(10) -0.02771(8) 0.0425(5) Uani 1 1 d . . . . .
S5 S 0.49920(9) 0.25978(10) -0.04493(7) 0.0419(5) Uani 1 1 d . . . . .
S6 S 0.59857(9) 0.51351(10) 0.21339(7) 0.0421(5) Uani 1 1 d . . . . .
S7 S 0.66053(9) 0.43203(10) 0.12359(8) 0.0444(6) Uani 1 1 d . . . . .
S8 S 0.40099(10) 0.47241(11) 0.14181(8) 0.0484(6) Uani 1 1 d . . . . .
S9 S 0.57197(9) 0.35900(10) 0.06488(8) 0.0455(6) Uani 1 1 d . . . . .
S10 S 0.63518(9) 0.49157(10) -0.01122(7) 0.0434(5) Uani 1 1 d . . . . .
S11 S 0.59848(10) 0.32439(11) 0.20297(7) 0.0464(6) Uani 1 1 d . . . . .
S12 S 0.50464(9) 0.56128(11) -0.24557(8) 0.0446(5) Uani 1 1 d . . . . .
S13 S 0.46480(11) 0.32005(12) -0.16047(8) 0.0585(8) Uani 1 1 d . . . . .
S14 S 0.65790(10) 0.35929(11) -0.11372(7) 0.0476(6) Uani 1 1 d . . . . .
S15 S 0.70922(10) 0.36366(11) 0.02218(7) 0.0470(6) Uani 1 1 d . . . . .
S16 S 0.44575(9) 0.35576(11) 0.04073(7) 0.0430(5) Uani 1 1 d . . . . .
S17 S 0.59845(10) 0.58869(11) 0.08013(8) 0.0487(6) Uani 1 1 d . . . . .
S18 S 0.55636(12) 0.37819(11) -0.07237(8) 0.0566(7) Uani 1 1 d . . . . .
S19 S 0.54858(14) 0.39184(13) -0.21676(8) 0.0684(10) Uani 1 1 d . . . . .
S20 S 0.58418(10) 0.23565(13) -0.15573(8) 0.0549(7) Uani 1 1 d . . . . .
S21 S 0.47496(11) 0.32584(12) 0.16193(7) 0.0519(6) Uani 1 1 d . . . . .
S22 S 0.50588(17) 0.4877(2) -0.01161(13) 0.0403(10) Uani 0.5 1 d . . P A 1
P1 P 0.60208(10) 0.13822(12) 0.19249(7) 0.0449(6) Uani 1 1 d . . . . .
P2 P 0.72177(9) 0.20269(14) -0.12304(8) 0.0514(7) Uani 1 1 d . . . . .
P3 P 0.43741(10) 0.42537(16) -0.32319(9) 0.0572(8) Uani 1 1 d . . . . .
P4 P 0.75795(9) 0.19232(14) 0.02524(8) 0.0511(7) Uani 1 1 d . . . . .
P5 P 0.51697(11) 0.26613(12) 0.28337(8) 0.0504(7) Uani 1 1 d . . . . .
P6 P 0.50511(14) 0.24259(17) -0.27044(11) 0.0812(14) Uani 1 1 d . . . . .
F1 F 0.7644(3) 0.5951(4) 0.3010(3) 0.085(3) Uani 1 1 d . . . . .
F2 F 0.8372(2) 0.2873(4) 0.2095(2) 0.073(2) Uani 1 1 d . . . . .
F3 F 0.8149(3) 0.5883(4) -0.0158(3) 0.082(2) Uani 1 1 d . . . . .
F4 F 0.3013(4) 0.1901(4) -0.2056(3) 0.105(3) Uani 1 1 d . . . . .
F5 F 0.2748(2) 0.2334(3) 0.0246(2) 0.0676(19) Uani 1 1 d . . . . .
F6 F 0.7820(3) 0.6794(4) 0.0959(2) 0.091(3) Uani 1 1 d . U . . .
F7 F 0.3124(3) 0.1934(4) 0.1765(3) 0.084(2) Uani 1 1 d . . . . .
F8 F 0.7148(4) 0.4055(5) -0.2987(3) 0.110(4) Uani 1 1 d . . . . .
F9 F 0.7444(4) 0.3991(4) 0.3214(2) 0.091(3) Uani 1 1 d . . . . .
F10 F 0.8461(3) 0.5041(3) 0.1719(3) 0.086(3) Uani 1 1 d . . . . .
F11 F 0.6723(4) 0.5928(5) -0.3204(4) 0.113(4) Uani 1 1 d . . . . .
F12 F 0.8994(5) 0.4155(7) 0.0099(6) 0.157(5) Uani 1 1 d . U . . .
F13 F 0.4228(3) 0.0247(4) 0.1016(3) 0.095(3) Uani 1 1 d . . . . .
F14 F 0.2237(3) 0.3756(4) 0.1640(3) 0.086(3) Uani 1 1 d . . . . .
F15 F 0.5738(3) 0.0151(3) -0.0071(3) 0.085(3) Uani 1 1 d . . . . .
F16 F 0.5130(4) 0.0093(4) -0.1708(4) 0.118(4) Uani 1 1 d . U . . .
F17 F 0.8297(5) 0.4205(7) -0.1776(5) 0.142(4) Uani 1 1 d . U . . .
F18 F 0.3972(5) 0.0571(6) -0.0683(5) 0.194(6) Uani 1 1 d . U . . .
O2 O 0.5822(6) -0.0255(7) -0.2734(5) 0.141(5) Uani 1 1 d D U . . .
O4 O 0.1323(6) 0.1899(8) 0.0563(6) 0.154(6) Uani 1 1 d D U . . .
N1 N 0.6531(6) -0.0014(7) -0.2391(6) 0.126(4) Uani 1 1 d . U . . .
N3 N 0.6143(6) -0.0651(7) -0.2120(5) 0.128(4) Uani 1 1 d . U . . .
N7 N 0.1873(7) 0.1528(10) 0.1003(6) 0.165(6) Uani 1 1 d D U . . .
N8 N 0.1949(8) 0.2395(10) 0.0852(6) 0.167(6) Uani 1 1 d D U . . .
C1 C 0.6385(4) 0.1561(4) 0.2375(3) 0.047(2) Uani 1 1 d . . . . .
C2 C 0.7186(3) 0.2620(4) 0.1384(3) 0.039(2) Uani 1 1 d . . . . .
C3 C 0.6187(3) 0.1737(4) -0.0200(3) 0.043(2) Uani 1 1 d . . . . .
C4 C 0.4629(5) 0.2400(5) 0.2979(3) 0.058(3) Uani 1 1 d . . . . .
C5 C 0.3942(4) 0.3188(4) 0.0359(3) 0.040(2) Uani 1 1 d . . . . .
C6 C 0.7153(4) 0.4563(4) 0.1384(3) 0.044(2) Uani 1 1 d . . . . .
C7 C 0.6428(4) 0.3470(4) 0.2383(3) 0.047(3) Uani 1 1 d . . . . .
C8 C 0.7364(3) 0.2207(5) 0.1645(3) 0.044(2) Uani 1 1 d . . . . .
H8 H 0.721859 0.186975 0.165858 0.053 Uiso 1 1 calc R . . . .
C9 C 0.3155(4) 0.3158(5) 0.0416(3) 0.049(2) Uani 1 1 d . . . . .
H9 H 0.289425 0.333443 0.047655 0.059 Uiso 1 1 calc R . . . .
C10 C 0.4148(4) 0.2808(5) -0.1737(3) 0.055(3) Uani 1 1 d . . . . .
C11 C 0.7434(5) 0.1225(6) 0.0410(3) 0.061(3) Uani 1 1 d . . . . .
C12 C 0.3979(4) 0.4608(5) -0.3599(4) 0.053(3) Uani 1 1 d . . . . .
C13 C 0.7811(4) 0.3220(5) 0.1604(4) 0.052(3) Uani 1 1 d . . . . .
H13 H 0.795706 0.355794 0.159889 0.062 Uiso 1 1 calc R . . . .
C14 C 0.7982(4) 0.2786(5) 0.1857(4) 0.053(3) Uani 1 1 d . . . . .
C15 C 0.6480(3) 0.5389(4) 0.2395(3) 0.038(2) Uani 1 1 d . . . . .
C16 C 0.5978(6) 0.3965(6) -0.2409(3) 0.074(5) Uani 1 1 d . . . . .
C17 C 0.3938(4) 0.2634(4) 0.0232(3) 0.044(2) Uani 1 1 d . . . . .
H17 H 0.419972 0.245841 0.017191 0.053 Uiso 1 1 calc R . . . .
C18 C 0.7421(4) 0.3121(4) 0.1365(4) 0.049(3) Uani 1 1 d . . . . .
H18 H 0.730823 0.339219 0.118534 0.059 Uiso 1 1 calc R . . . .
C19 C 0.3550(4) 0.3423(4) 0.0448(3) 0.047(3) Uani 1 1 d . . . . .
H19 H 0.355671 0.378844 0.053472 0.056 Uiso 1 1 calc R . . . .
C20 C 0.5635(5) 0.1681(5) -0.1582(4) 0.066(4) Uani 1 1 d . . . . .
C21 C 0.3525(4) 0.2354(5) 0.0198(3) 0.049(3) Uani 1 1 d . . . . .
H21 H 0.351135 0.198843 0.011061 0.059 Uiso 1 1 calc R . . . .
C22 C 0.7056(4) 0.5316(6) 0.2952(4) 0.060(3) Uani 1 1 d . . . . .
H22 H 0.717537 0.514142 0.318658 0.072 Uiso 1 1 calc R . . . .
C23 C 0.7144(4) 0.5361(5) 0.0226(3) 0.049(3) Uani 1 1 d . . . . .
H23 H 0.703018 0.530461 0.047339 0.059 Uiso 1 1 calc R . . . .
C24 C 0.6666(4) 0.5128(4) 0.2747(3) 0.044(2) Uani 1 1 d . . . . .
H24 H 0.652321 0.482228 0.284386 0.053 Uiso 1 1 calc R . . . .
C25 C 0.7265(4) 0.5764(5) 0.2803(4) 0.059(3) Uani 1 1 d . . . . .
C26 C 0.6649(5) 0.2021(5) 0.2369(3) 0.055(3) Uani 1 1 d . . . . .
H26 H 0.664765 0.222584 0.213212 0.066 Uiso 1 1 calc R . . . .
C27 C 0.5262(4) 0.1888(4) 0.2219(3) 0.045(2) Uani 1 1 d . . . . .
H27A H 0.532613 0.217414 0.202800 0.054 Uiso 1 1 calc R . . . .
H27B H 0.494013 0.185295 0.221182 0.054 Uiso 1 1 calc R . . . .
C28 C 0.7659(5) 0.3795(5) 0.0185(4) 0.065(3) Uani 1 1 d . U . . .
C29 C 0.6825(4) 0.1038(5) -0.1038(3) 0.051(3) Uani 1 1 d . . . . .
H29 H 0.656802 0.125115 -0.103311 0.061 Uiso 1 1 calc R . . . .
C30 C 0.6367(5) 0.3530(5) 0.2785(4) 0.062(3) Uani 1 1 d . . . . .
H30 H 0.608648 0.345809 0.286972 0.075 Uiso 1 1 calc R . . . .
C31 C 0.7567(4) 0.5585(5) 0.0212(4) 0.058(3) Uani 1 1 d . . . . .
H31 H 0.773807 0.567867 0.044942 0.070 Uiso 1 1 calc R . . . .
C32 C 0.7802(5) 0.4234(5) -0.0054(4) 0.062(3) Uani 1 1 d . U . . .
H32 H 0.758730 0.445155 -0.019868 0.074 Uiso 1 1 calc R . . . .
C33 C 0.6524(4) 0.6185(4) 0.0854(3) 0.048(3) Uani 1 1 d . . . . .
C34 C 0.4281(4) 0.2832(5) 0.1657(3) 0.048(3) Uani 1 1 d . . . . .
C35 C 0.6637(6) 0.6647(5) 0.0635(4) 0.072(4) Uani 1 1 d . . . . .
H35 H 0.641837 0.682090 0.046216 0.086 Uiso 1 1 calc R . . . .
C36 C 0.3400(6) 0.2201(6) -0.1938(4) 0.079(5) Uani 1 1 d . . . . .
C37 C 0.7341(5) 0.1162(5) 0.0809(4) 0.064(4) Uani 1 1 d . . . . .
H37 H 0.736475 0.146416 0.098245 0.076 Uiso 1 1 calc R . . . .
C38 C 0.4358(5) 0.3203(6) -0.2839(4) 0.068(4) Uani 1 1 d . . . . .
H38A H 0.447844 0.340562 -0.260208 0.081 Uiso 1 1 calc R . . . .
H38B H 0.415869 0.292141 -0.275212 0.081 Uiso 1 1 calc R . . . .
C39 C 0.7356(4) 0.2045(4) -0.1761(2) 0.069(3) Uani 1 1 d . U . . .
C40 C 0.7310(5) 0.1592(4) -0.2018(3) 0.113(7) Uani 1 1 d G . . . .
H40 H 0.721959 0.125301 -0.192167 0.135 Uiso 1 1 calc R . . . .
C41 C 0.7400(5) 0.1644(4) -0.2418(3) 0.126(8) Uani 1 1 d G . . . .
H41 H 0.736983 0.134070 -0.259008 0.151 Uiso 1 1 calc R . . . .
C42 C 0.7536(5) 0.2150(5) -0.2562(2) 0.081(4) Uani 1 1 d G U . . .
H42 H 0.759620 0.218511 -0.282975 0.097 Uiso 1 1 calc R . . . .
C43 C 0.7582(4) 0.2603(4) -0.2305(3) 0.088(3) Uani 1 1 d G U . . .
H43 H 0.767233 0.294184 -0.240102 0.105 Uiso 1 1 calc R . . . .
C44 C 0.7492(4) 0.2551(4) -0.1904(3) 0.086(3) Uani 1 1 d G U . . .
H44 H 0.752209 0.285416 -0.173261 0.103 Uiso 1 1 calc R . . . .
C45 C 0.6296(4) 0.1448(4) 0.0161(3) 0.045(2) Uani 1 1 d . . . . .
H45 H 0.646777 0.161347 0.037545 0.055 Uiso 1 1 calc R . . . .
C46 C 0.7217(4) 0.1290(6) -0.1134(3) 0.052(3) Uani 1 1 d . . . . .
C47 C 0.6393(4) 0.1245(5) 0.2730(3) 0.053(3) Uani 1 1 d . . . . .
H47 H 0.621853 0.092935 0.273996 0.063 Uiso 1 1 calc R . . . .
C48 C 0.4740(4) 0.2925(6) -0.3028(4) 0.064(4) Uani 1 1 d . . . . .
H48A H 0.494485 0.320711 -0.310443 0.077 Uiso 1 1 calc R . . . .
H48B H 0.461959 0.273917 -0.327342 0.077 Uiso 1 1 calc R . . . .
C49 C 0.5448(4) 0.2063(5) 0.2638(3) 0.050(3) Uani 1 1 d . . . . .
H49A H 0.576359 0.214626 0.263464 0.060 Uiso 1 1 calc R . . . .
H49B H 0.542278 0.175524 0.282154 0.060 Uiso 1 1 calc R . . . .
C50 C 0.3754(5) 0.3000(5) -0.1658(4) 0.063(3) Uani 1 1 d . . . . .
H50 H 0.373561 0.333601 -0.152482 0.075 Uiso 1 1 calc R . . . .
C51 C 0.4123(5) 0.2734(5) 0.2031(4) 0.059(3) Uani 1 1 d . . . . .
H51 H 0.428423 0.287294 0.226169 0.071 Uiso 1 1 calc R . . . .
C52 C 0.4035(4) 0.2598(5) 0.1321(3) 0.051(3) Uani 1 1 d . . . . .
H52 H 0.413331 0.265340 0.106706 0.061 Uiso 1 1 calc R . . . .
C53 C 0.3640(5) 0.4329(6) -0.3836(5) 0.074(4) Uani 1 1 d . . . . .
H53 H 0.361143 0.394753 -0.382041 0.089 Uiso 1 1 calc R . . . .
C54 C 0.6890(4) 0.5220(4) -0.0131(3) 0.043(2) Uani 1 1 d . . . . .
C55 C 0.6706(4) 0.5841(5) 0.2257(4) 0.057(3) Uani 1 1 d . . . . .
H55 H 0.659263 0.601948 0.202150 0.068 Uiso 1 1 calc R . . . .
C56 C 0.7399(6) 0.0761(7) 0.0163(4) 0.081(5) Uani 1 1 d . . . . .
H56 H 0.746555 0.079179 -0.010350 0.097 Uiso 1 1 calc R . . . .
C57 C 0.7284(5) 0.4742(4) 0.1768(3) 0.053(3) Uani 1 1 d . . . . .
H57 H 0.707440 0.474605 0.195624 0.064 Uiso 1 1 calc R . . . .
C58 C 0.3809(6) 0.1970(7) -0.2022(5) 0.080(4) Uani 1 1 d . U . . .
H58 H 0.383002 0.162121 -0.213548 0.096 Uiso 1 1 calc R . . . .
C59 C 0.3358(5) 0.2697(6) -0.1773(4) 0.068(4) Uani 1 1 d . . . . .
H59 H 0.307752 0.284011 -0.173432 0.082 Uiso 1 1 calc R . . . .
C60 C 0.4725(6) 0.1795(7) -0.2764(5) 0.087(3) Uani 1 1 d . U . . .
C61 C 0.6144(4) 0.0907(5) 0.0193(4) 0.055(3) Uani 1 1 d . . . . .
H61 H 0.622071 0.070507 0.042775 0.066 Uiso 1 1 calc R . . . .
C62 C 0.6210(6) 0.4471(6) -0.2457(5) 0.080(5) Uani 1 1 d . . . . .
H62 H 0.609407 0.479130 -0.235347 0.096 Uiso 1 1 calc R . . . .
C63 C 0.7731(4) 0.5667(5) -0.0149(4) 0.054(3) Uani 1 1 d . . . . .
C64 C 0.3404(4) 0.3870(5) 0.1451(3) 0.051(3) Uani 1 1 d . . . . .
H64 H 0.363388 0.364311 0.137883 0.061 Uiso 1 1 calc R . . . .
C65 C 0.8229(4) 0.2242(5) 0.0861(3) 0.049(3) Uani 1 1 d . . . . .
H65 H 0.798758 0.229950 0.101117 0.059 Uiso 1 1 calc R . . . .
C66 C 0.8657(4) 0.2375(7) 0.1028(4) 0.068(4) Uani 1 1 d . . . . .
H66 H 0.870348 0.253802 0.128121 0.082 Uiso 1 1 calc R . . . .
C67 C 0.8022(5) 0.4891(5) 0.1610(4) 0.062(3) Uani 1 1 d . . . . .
C68 C 0.2660(5) 0.3986(6) 0.1607(4) 0.064(3) Uani 1 1 d . . . . .
C69 C 0.3135(4) 0.4760(5) 0.1607(3) 0.054(3) Uani 1 1 d . . . . .
H69 H 0.318185 0.513780 0.164066 0.064 Uiso 1 1 calc R . . . .
C70 C 0.5268(4) 0.4175(7) -0.3374(4) 0.065(3) Uani 1 1 d . U . . .
H70 H 0.532647 0.434806 -0.312481 0.078 Uiso 1 1 calc R . . . .
C71 C 0.7205(5) 0.3747(5) 0.2555(4) 0.055(3) Uani 1 1 d . . . . .
H71 H 0.748994 0.381873 0.247963 0.066 Uiso 1 1 calc R . . . .
C72 C 0.5617(5) 0.4014(8) -0.3589(4) 0.076(3) Uani 1 1 d . U . . .
H72 H 0.590818 0.409218 -0.348385 0.091 Uiso 1 1 calc R . . . .
C73 C 0.7387(5) 0.6593(6) 0.0929(3) 0.071(4) Uani 1 1 d . . . . .
C74 C 0.7301(4) 0.6157(5) 0.1163(3) 0.057(3) Uani 1 1 d . . . . .
H74 H 0.752175 0.600015 0.134260 0.069 Uiso 1 1 calc R . . . .
C75 C 0.6856(4) 0.3574(4) 0.2264(3) 0.050(3) Uani 1 1 d . . . . .
H75 H 0.691054 0.353097 0.199560 0.060 Uiso 1 1 calc R . . . .
C76 C 0.6176(7) 0.3504(7) -0.2582(4) 0.093(6) Uani 1 1 d . . . . .
H76 H 0.603969 0.316045 -0.257010 0.112 Uiso 1 1 calc R . . . .
C77 C 0.6312(4) 0.5996(6) -0.2640(5) 0.065(4) Uani 1 1 d . . . . .
H77 H 0.656409 0.612637 -0.248581 0.078 Uiso 1 1 calc R . . . .
C78 C 0.5867(6) 0.1265(6) -0.1764(4) 0.080(5) Uani 1 1 d . . . . .
H78 H 0.613911 0.135304 -0.186045 0.096 Uiso 1 1 calc R . . . .
C79 C 0.4348(5) 0.1712(7) -0.3028(5) 0.082(3) Uani 1 1 d . U . . .
H79 H 0.423700 0.200582 -0.318759 0.098 Uiso 1 1 calc R . . . .
C80 C 0.3652(5) 0.2289(5) 0.1350(4) 0.060(3) Uani 1 1 d . . . . .
H80 H 0.349669 0.213220 0.112266 0.071 Uiso 1 1 calc R . . . .
C81 C 0.7922(5) 0.4714(5) 0.1222(4) 0.061(3) Uani 1 1 d . . . . .
H81 H 0.814060 0.469964 0.104255 0.073 Uiso 1 1 calc R . . . .
C82 C 0.6933(5) 0.1887(5) 0.3054(3) 0.061(3) Uani 1 1 d . . . . .
H82 H 0.711793 0.199509 0.328033 0.074 Uiso 1 1 calc R . . . .
C83 C 0.7600(5) 0.0949(8) -0.1139(4) 0.077(5) Uani 1 1 d . . . . .
H83 H 0.786702 0.110183 -0.120665 0.092 Uiso 1 1 calc R . . . .
C84 C 0.5233(6) 0.1537(7) -0.1444(6) 0.094(6) Uani 1 1 d . . . . .
H84 H 0.507262 0.180064 -0.131423 0.112 Uiso 1 1 calc R . . . .
C85 C 0.4526(6) 0.1845(5) 0.3000(4) 0.070(4) Uani 1 1 d . . . . .
H85 H 0.473013 0.157977 0.293281 0.084 Uiso 1 1 calc R . . . .
C86 C 0.6803(6) 0.0476(7) -0.0948(5) 0.079(4) Uani 1 1 d . . . . .
H86 H 0.653570 0.031166 -0.089277 0.095 Uiso 1 1 calc R . . . .
C87 C 0.5575(4) 0.5573(5) -0.3103(4) 0.056(3) Uani 1 1 d . . . . .
H87 H 0.532846 0.543408 -0.326073 0.067 Uiso 1 1 calc R . . . .
C88 C 0.3915(6) 0.2625(6) 0.3201(4) 0.077(5) Uani 1 1 d . . . . .
H88 H 0.370944 0.288859 0.326816 0.092 Uiso 1 1 calc R . . . .
C89 C 0.7765(4) 0.2305(5) 0.1887(4) 0.056(3) Uani 1 1 d . . . . .
H89 H 0.788030 0.203657 0.206848 0.067 Uiso 1 1 calc R . . . .
C90 C 0.6858(4) 0.5951(4) 0.1123(3) 0.045(2) Uani 1 1 d . . . . .
H90 H 0.678628 0.565144 0.127974 0.055 Uiso 1 1 calc R . . . .
C91 C 0.5710(6) 0.0720(7) -0.1807(5) 0.081(4) Uani 1 1 d . U . . .
H91 H 0.587255 0.044538 -0.192353 0.097 Uiso 1 1 calc R . . . .
C92 C 0.7104(5) 0.6032(5) 0.2466(4) 0.060(3) Uani 1 1 d . . . . .
H92 H 0.725229 0.633751 0.237415 0.072 Uiso 1 1 calc R . . . .
C93 C 0.8153(4) 0.2022(7) 0.0466(3) 0.069(4) Uani 1 1 d . . . . .
C94 C 0.3808(6) 0.2068(7) 0.3225(5) 0.087(5) Uani 1 1 d . . . . .
H94 H 0.353534 0.195682 0.330972 0.104 Uiso 1 1 calc R . . . .
C95 C 0.5915(4) 0.5918(5) -0.2469(4) 0.050(3) Uani 1 1 d . . . . .
H95 H 0.589599 0.601280 -0.220062 0.060 Uiso 1 1 calc R . . . .
C96 C 0.3148(4) 0.2611(5) 0.0290(3) 0.049(3) Uani 1 1 d . . . . .
C97 C 0.5457(4) 0.1345(4) 0.2089(3) 0.049(3) Uani 1 1 d . . . . .
H97A H 0.525827 0.119435 0.186893 0.059 Uiso 1 1 calc R . . . .
H97B H 0.546146 0.108793 0.231260 0.059 Uiso 1 1 calc R . . . .
C98 C 0.7736(5) 0.2300(7) -0.0957(4) 0.072(4) Uani 1 1 d . U . . .
H98A H 0.797804 0.204092 -0.098423 0.086 Uiso 1 1 calc R . . . .
H98B H 0.781420 0.264524 -0.108039 0.086 Uiso 1 1 calc R . . . .
C99 C 0.6758(7) 0.4014(7) -0.2803(4) 0.086(5) Uani 1 1 d . . . . .
C100 C 0.7583(6) 0.0411(8) -0.1049(5) 0.086(5) Uani 1 1 d . U . . .
H100 H 0.783893 0.019593 -0.105645 0.104 Uiso 1 1 calc R . . . .
C101 C 0.2994(4) 0.3636(5) 0.1510(3) 0.054(3) Uani 1 1 d . . . . .
H101 H 0.294728 0.325753 0.148508 0.065 Uiso 1 1 calc R . . . .
C102 C 0.4186(6) 0.2308(6) -0.1923(5) 0.081(4) Uani 1 1 d . U . . .
H102 H 0.446598 0.218884 -0.198486 0.097 Uiso 1 1 calc R . . . .
C103 C 0.4087(4) 0.3602(6) -0.3128(3) 0.056(3) Uani 1 1 d . . . . .
H10A H 0.381037 0.369048 -0.301457 0.067 Uiso 1 1 calc R . . . .
H10B H 0.401012 0.341349 -0.338256 0.067 Uiso 1 1 calc R . . . .
C104 C 0.7610(4) 0.1846(7) -0.0290(3) 0.062(3) Uani 1 1 d . . . . .
H10C H 0.784952 0.159128 -0.033481 0.075 Uiso 1 1 calc R . . . .
H10D H 0.733217 0.168684 -0.040978 0.075 Uiso 1 1 calc R . . . .
C105 C 0.6327(5) 0.5876(7) -0.3046(5) 0.076(4) Uani 1 1 d . . . . .
C106 C 0.5982(5) 0.5656(6) -0.3272(4) 0.070(4) Uani 1 1 d . . . . .
H106 H 0.600950 0.555795 -0.353906 0.084 Uiso 1 1 calc R . . . .
C107 C 0.4012(5) 0.5184(7) -0.3655(6) 0.089(5) Uani 1 1 d . . . . .
H107 H 0.423694 0.538489 -0.350855 0.107 Uiso 1 1 calc R . . . .
C108 C 0.4979(7) 0.1357(9) -0.2603(6) 0.101(4) Uani 1 1 d . U . . .
H108 H 0.526255 0.139028 -0.246740 0.121 Uiso 1 1 calc R . . . .
C109 C 0.6599(6) 0.4513(7) -0.2650(4) 0.079(4) Uani 1 1 d . . . . .
H109 H 0.674465 0.484735 -0.267615 0.095 Uiso 1 1 calc R . . . .
C110 C 0.7198(8) 0.0170(8) -0.0946(6) 0.105(7) Uani 1 1 d . . . . .
H110 H 0.719873 -0.020053 -0.087351 0.126 Uiso 1 1 calc R . . . .
C111 C 0.6670(4) 0.1418(5) 0.3069(3) 0.059(3) Uani 1 1 d . . . . .
H111 H 0.667733 0.121628 0.330746 0.070 Uiso 1 1 calc R . . . .
C112 C 0.4310(5) 0.2791(5) 0.3082(3) 0.058(3) Uani 1 1 d . . . . .
H112 H 0.437366 0.316611 0.306889 0.070 Uiso 1 1 calc R . . . .
C113 C 0.7493(4) 0.5531(5) -0.0511(4) 0.060(3) Uani 1 1 d . . . . .
H113 H 0.761118 0.558689 -0.075625 0.071 Uiso 1 1 calc R . . . .
C114 C 0.8244(5) 0.4347(6) -0.0080(5) 0.078(3) Uani 1 1 d . U . . .
H114 H 0.832854 0.464154 -0.023511 0.093 Uiso 1 1 calc R . . . .
C115 C 0.5559(4) 0.2311(6) -0.3002(4) 0.106(4) Uani 1 1 d . U . . .
C116 C 0.5944(5) 0.2108(7) -0.2787(3) 0.113(4) Uani 1 1 d G U . . .
H116 H 0.595354 0.206068 -0.250868 0.136 Uiso 1 1 calc R . . . .
C117 C 0.6315(4) 0.1975(7) -0.2988(5) 0.122(4) Uani 1 1 d G U . . .
H117 H 0.657277 0.183934 -0.284385 0.146 Uiso 1 1 calc R . . . .
C118 C 0.6301(4) 0.2046(7) -0.3403(5) 0.126(4) Uani 1 1 d G U . . .
H118 H 0.654965 0.195727 -0.353769 0.151 Uiso 1 1 calc R . . . .
C119 C 0.5917(5) 0.2249(7) -0.3618(3) 0.118(4) Uani 1 1 d G U . . .
H119 H 0.590731 0.229654 -0.389637 0.142 Uiso 1 1 calc R . . . .
C120 C 0.5546(4) 0.2382(6) -0.3417(4) 0.110(4) Uani 1 1 d G U . . .
H120 H 0.528807 0.251789 -0.356121 0.132 Uiso 1 1 calc R . . . .
C121 C 0.7118(6) 0.3805(5) 0.2943(4) 0.067(4) Uani 1 1 d . . . . .
C122 C 0.5475(6) 0.2798(6) 0.3323(4) 0.073(4) Uani 1 1 d . . . . .
C123 C 0.7217(7) 0.0660(7) 0.0949(5) 0.086(4) Uani 1 1 d . U . . .
H123 H 0.716416 0.062915 0.121948 0.104 Uiso 1 1 calc R . . . .
C124 C 0.7116(3) 0.3818(5) -0.1758(3) 0.088(3) Uani 1 1 d . U . . .
H124 H 0.685922 0.376273 -0.193215 0.105 Uiso 1 1 calc R . . . .
C125 C 0.7103(3) 0.3752(4) -0.1344(3) 0.067(3) Uani 1 1 d G U . . .
C126 C 0.7487(3) 0.3834(4) -0.1084(2) 0.081(3) Uani 1 1 d G U . . .
H126 H 0.747839 0.378995 -0.080695 0.097 Uiso 1 1 calc R . . . .
C127 C 0.7885(3) 0.3983(5) -0.1237(3) 0.096(4) Uani 1 1 d G U . . .
H127 H 0.814222 0.403764 -0.106303 0.115 Uiso 1 1 calc R . . . .
C128 C 0.7898(3) 0.4049(6) -0.1651(4) 0.108(4) Uani 1 1 d G U . . .
C129 C 0.7514(4) 0.3966(6) -0.1911(3) 0.105(4) Uani 1 1 d G U . . .
H129 H 0.752306 0.401043 -0.218823 0.126 Uiso 1 1 calc R . . . .
C130 C 0.7477(4) 0.4554(5) 0.1102(3) 0.050(3) Uani 1 1 d . . . . .
H130 H 0.739760 0.444357 0.083727 0.060 Uiso 1 1 calc R . . . .
C131 C 0.3483(4) 0.4433(4) 0.1497(3) 0.044(2) Uani 1 1 d . . . . .
C132 C 0.5544(4) 0.5700(5) -0.2697(3) 0.050(3) Uani 1 1 d . . . . .
C133 C 0.4836(4) 0.4080(7) -0.3529(4) 0.072(3) Uani 1 1 d . U . . .
C134 C 0.4553(4) 0.1053(3) -0.0323(3) 0.097(4) Uani 1 1 d . U . . .
H134 H 0.462907 0.074886 -0.016001 0.117 Uiso 1 1 calc R . . . .
C135 C 0.4200(3) 0.1020(4) -0.0624(3) 0.121(4) Uani 1 1 d G U . . .
C136 C 0.4087(3) 0.1475(5) -0.0867(3) 0.116(4) Uani 1 1 d G U . . .
H136 H 0.385107 0.145204 -0.106841 0.139 Uiso 1 1 calc R . . . .
C137 C 0.4328(4) 0.1963(4) -0.0809(3) 0.096(4) Uani 1 1 d G U . . .
H137 H 0.425201 0.226785 -0.097211 0.115 Uiso 1 1 calc R . . . .
C138 C 0.4681(3) 0.1997(3) -0.0508(3) 0.071(3) Uani 1 1 d G U . . .
C139 C 0.4794(3) 0.1542(4) -0.0265(3) 0.071(3) Uani 1 1 d G U . . .
H139 H 0.503002 0.156469 -0.006371 0.085 Uiso 1 1 calc R . . . .
C140 C 0.3508(5) 0.2222(5) 0.1734(4) 0.063(3) Uani 1 1 d . . . . .
C141 C 0.6919(5) 0.2186(5) 0.2712(4) 0.061(3) Uani 1 1 d . . . . .
H141 H 0.709132 0.250420 0.270481 0.073 Uiso 1 1 calc R . . . .
C142 C 0.5765(5) 0.0956(6) -0.0468(5) 0.069(4) Uani 1 1 d . . . . .
H142 H 0.558372 0.078505 -0.067348 0.083 Uiso 1 1 calc R . . . .
C143 C 0.3399(6) 0.5187(7) -0.4147(5) 0.081(5) Uani 1 1 d . . . . .
H143 H 0.321484 0.538028 -0.433879 0.097 Uiso 1 1 calc R . . . .
C144 C 0.6567(6) 0.3547(7) -0.2770(4) 0.077(4) Uani 1 1 d . U . . .
H144 H 0.669142 0.323177 -0.287284 0.092 Uiso 1 1 calc R . . . .
C145 C 0.9011(5) 0.2258(8) 0.0805(5) 0.081(4) Uani 1 1 d . U . . .
H145 H 0.930025 0.234057 0.091322 0.098 Uiso 1 1 calc R . . . .
C146 C 0.7716(5) 0.4917(5) 0.1887(4) 0.063(4) Uani 1 1 d . . . . .
H146 H 0.779390 0.504780 0.214690 0.075 Uiso 1 1 calc R . . . .
C147 C 0.5383(7) 0.3253(7) 0.3531(5) 0.090(4) Uani 1 1 d . U . . .
H147 H 0.518104 0.350759 0.340954 0.108 Uiso 1 1 calc R . . . .
C148 C 0.4131(6) 0.1215(8) -0.3063(5) 0.092(4) Uani 1 1 d . U . . .
H148 H 0.384463 0.117243 -0.319255 0.110 Uiso 1 1 calc R . . . .
C149 C 0.5066(7) 0.1012(9) -0.1493(7) 0.102(6) Uani 1 1 d . U . . .
H149 H 0.478949 0.091465 -0.140847 0.123 Uiso 1 1 calc R . . . .
C150 C 0.5551(6) 0.3749(9) -0.3942(5) 0.091(3) Uani 1 1 d . U . . .
H150 H 0.578965 0.360999 -0.406933 0.109 Uiso 1 1 calc R . . . .
C151 C 0.2733(5) 0.4548(6) 0.1665(4) 0.070(4) Uani 1 1 d . . . . .
H151 H 0.250694 0.477402 0.174425 0.084 Uiso 1 1 calc R . . . .
C152 C 0.7064(4) 0.5305(5) -0.0492(3) 0.052(3) Uani 1 1 d . . . . .
H152 H 0.689385 0.521137 -0.073030 0.063 Uiso 1 1 calc R . . . .
C153 C 0.5915(4) 0.1485(5) -0.0513(4) 0.052(3) Uani 1 1 d . . . . .
H153 H 0.583576 0.167588 -0.075203 0.062 Uiso 1 1 calc R . . . .
C154 C 0.5336(7) 0.0625(7) -0.1678(6) 0.086(4) Uani 1 1 d . U . . .
C155 C 0.6706(6) 0.3694(6) 0.3067(4) 0.071(4) Uani 1 1 d . . . . .
H155 H 0.665565 0.372833 0.333751 0.086 Uiso 1 1 calc R . . . .
C156 C 0.7076(7) 0.6853(7) 0.0672(4) 0.089(5) Uani 1 1 d . . . . .
H156 H 0.715265 0.715930 0.052429 0.106 Uiso 1 1 calc R . . . .
C157 C 0.3735(5) 0.2437(6) 0.2075(4) 0.067(4) Uani 1 1 d . . . . .
H157 H 0.363240 0.238557 0.232707 0.080 Uiso 1 1 calc R . . . .
C158 C 0.5572(8) 0.3358(8) 0.3916(5) 0.101(4) Uani 1 1 d . U . . .
H158 H 0.549004 0.366921 0.405555 0.121 Uiso 1 1 calc R . . . .
C159 C 0.8549(6) 0.4032(9) 0.0120(7) 0.102(4) Uani 1 1 d . U . . .
C160 C 0.7987(5) 0.3505(7) 0.0426(6) 0.087(3) Uani 1 1 d . U . . .
H160 H 0.791473 0.328584 0.063968 0.104 Uiso 1 1 calc R . . . .
C161 C 0.5890(4) 0.0681(5) -0.0110(5) 0.064(3) Uani 1 1 d . . . . .
C162 C 0.7276(7) 0.0284(8) 0.0295(5) 0.091(5) Uani 1 1 d . U . . .
H162 H 0.725794 -0.001380 0.011787 0.110 Uiso 1 1 calc R . . . .
C163 C 0.3347(6) 0.4641(7) -0.4097(5) 0.083(4) Uani 1 1 d . U . . .
H163 H 0.310767 0.446449 -0.424145 0.100 Uiso 1 1 calc R . . . .
C164 C 0.4115(6) 0.1686(6) 0.3121(5) 0.085(5) Uani 1 1 d . . . . .
H164 H 0.404644 0.131195 0.313218 0.101 Uiso 1 1 calc R . . . .
C165 C 0.4761(5) 0.3833(9) -0.3911(5) 0.089(3) Uani 1 1 d . U . . .
H165 H 0.447005 0.376816 -0.402364 0.107 Uiso 1 1 calc R . . . .
C166 C 0.8468(7) 0.3565(9) 0.0321(7) 0.104(4) Uani 1 1 d . U . . .
H166 H 0.868737 0.330085 0.038938 0.124 Uiso 1 1 calc R . . . .
C167 C 0.3716(6) 0.5441(7) -0.3921(5) 0.085(5) Uani 1 1 d . . . . .
H167 H 0.373687 0.582266 -0.394495 0.102 Uiso 1 1 calc R . . . .
C168 C 0.4762(7) 0.0882(9) -0.2669(7) 0.110(4) Uani 1 1 d . U . . .
H168 H 0.489732 0.057107 -0.254662 0.131 Uiso 1 1 calc R . . . .
C169 C 0.4647(3) 0.1603(3) 0.0887(5) 0.101(4) Uani 1 1 d . U . . .
H169 H 0.453598 0.196197 0.087610 0.121 Uiso 1 1 calc R . . . .
C170 C 0.4362(2) 0.1162(4) 0.0942(5) 0.100(4) Uani 1 1 d G U . . .
H170 H 0.406095 0.122629 0.096693 0.120 Uiso 1 1 calc R . . . .
C171 C 0.4528(3) 0.0626(4) 0.0959(4) 0.079(4) Uani 1 1 d G U . . .
C172 C 0.4979(4) 0.0531(3) 0.0921(5) 0.111(4) Uani 1 1 d G U . . .
H172 H 0.509013 0.017230 0.093286 0.133 Uiso 1 1 calc R . . . .
C173 C 0.5264(3) 0.0972(4) 0.0867(4) 0.101(4) Uani 1 1 d G U . . .
H173 H 0.556516 0.090796 0.084202 0.121 Uiso 1 1 calc R . . . .
C174 C 0.5098(3) 0.1508(3) 0.0850(4) 0.067(3) Uani 1 1 d G U . . .
C175 C 0.7693(5) 0.2399(8) -0.0504(4) 0.077(5) Uani 1 1 d . . . . .
H17A H 0.744692 0.264995 -0.047356 0.093 Uiso 1 1 calc R . . . .
H17B H 0.796528 0.256807 -0.038010 0.093 Uiso 1 1 calc R . . . .
C176 C 0.7164(7) 0.0192(7) 0.0705(6) 0.092(5) Uani 1 1 d . U . . .
H176 H 0.706767 -0.014646 0.079594 0.110 Uiso 1 1 calc R . . . .
C177 C 0.5938(4) 0.0218(5) 0.2041(4) 0.099(4) Uani 1 1 d . U . . .
H177 H 0.572870 0.030193 0.222079 0.119 Uiso 1 1 calc R . . . .
C178 C 0.6064(5) -0.0327(4) 0.1986(4) 0.106(4) Uani 1 1 d G U . . .
H178 H 0.593747 -0.060825 0.212854 0.127 Uiso 1 1 calc R . . . .
C179 C 0.6377(5) -0.0452(4) 0.1718(4) 0.102(4) Uani 1 1 d G U . . .
H179 H 0.646069 -0.081716 0.168128 0.123 Uiso 1 1 calc R . . . .
C180 C 0.6565(4) -0.0032(5) 0.1506(4) 0.109(4) Uani 1 1 d G U . . .
H180 H 0.677514 -0.011587 0.132626 0.130 Uiso 1 1 calc R . . . .
C181 C 0.6440(4) 0.0513(4) 0.1561(4) 0.100(4) Uani 1 1 d G U . . .
H181 H 0.656637 0.079432 0.141851 0.120 Uiso 1 1 calc R . . . .
C182 C 0.6127(4) 0.0638(3) 0.1829(4) 0.073(3) Uani 1 1 d G U . . .
C183 C 0.5760(9) 0.2439(11) 0.3520(7) 0.124(5) Uani 1 1 d . U . . .
H183 H 0.580038 0.209287 0.340767 0.149 Uiso 1 1 calc R . . . .
C184 C 0.5109(6) 0.3689(9) -0.4115(5) 0.094(4) Uani 1 1 d . U . . .
H184 H 0.505553 0.354726 -0.437476 0.113 Uiso 1 1 calc R . . . .
C185 C 0.8946(7) 0.2021(10) 0.0429(6) 0.107(6) Uani 1 1 d . U . . .
H185 H 0.919242 0.194657 0.028802 0.128 Uiso 1 1 calc R . . . .
C186 C 0.8518(5) 0.1889(9) 0.0252(5) 0.086(4) Uani 1 1 d . U . . .
H186 H 0.847758 0.171915 0.000061 0.104 Uiso 1 1 calc R . . . .
C187 C 0.5874(9) 0.3006(10) 0.4085(6) 0.115(4) Uani 1 1 d . U . . .
H187 H 0.599806 0.306971 0.434758 0.138 Uiso 1 1 calc R . . . .
C189 C 0.6561(8) -0.0579(9) -0.1855(7) 0.138(5) Uani 1 1 d . U . . .
H18A H 0.673108 -0.091959 -0.183303 0.165 Uiso 1 1 calc R . . . .
H18B H 0.649822 -0.046336 -0.158654 0.165 Uiso 1 1 calc R . . . .
C190 C 0.6814(8) -0.0135(10) -0.2057(7) 0.137(5) Uani 1 1 d . U . . .
H19A H 0.686520 0.018553 -0.188415 0.164 Uiso 1 1 calc R . . . .
H19B H 0.709850 -0.027152 -0.213104 0.164 Uiso 1 1 calc R . . . .
C193 C 0.5793(8) -0.1019(9) -0.2063(7) 0.129(7) Uani 1 1 d . U . . .
H19C H 0.586374 -0.137715 -0.216237 0.193 Uiso 1 1 calc GR . . . .
H19D H 0.552122 -0.088747 -0.220771 0.193 Uiso 1 1 calc GR . . . .
H19E H 0.575360 -0.104261 -0.178066 0.193 Uiso 1 1 calc GR . . . .
C195 C 0.6135(7) -0.0290(8) -0.2454(5) 0.127(4) Uani 1 1 d D U . . .
C196 C 0.4372(7) 0.0798(10) -0.2893(7) 0.107(4) Uani 1 1 d . U . . .
H196 H 0.426610 0.043867 -0.293069 0.128 Uiso 1 1 calc R . . . .
C198 C 0.6000(9) 0.2577(11) 0.3894(7) 0.125(5) Uani 1 1 d . U . . .
H198 H 0.624175 0.236413 0.399877 0.150 Uiso 1 1 calc R . . . .
C201 C 0.1757(11) 0.0929(14) 0.1066(9) 0.189(10) Uani 1 1 d . U . . .
H20D H 0.149452 0.083408 0.089218 0.283 Uiso 1 1 calc GR . . . .
H20E H 0.170085 0.087234 0.134226 0.283 Uiso 1 1 calc GR . . . .
H20F H 0.200191 0.069949 0.100329 0.283 Uiso 1 1 calc GR . . . .
C202 C 0.2299(8) 0.1715(10) 0.1233(7) 0.172(6) Uani 1 1 d D U . . .
H20G H 0.254951 0.150042 0.115515 0.206 Uiso 1 1 calc R . . . .
H20H H 0.228168 0.166856 0.152110 0.206 Uiso 1 1 calc R . . . .
C203 C 0.1686(7) 0.1978(13) 0.0779(6) 0.162(6) Uani 1 1 d D U . . .
C204 C 0.1792(11) 0.2915(12) 0.0631(8) 0.182(9) Uani 1 1 d . U . . .
H20I H 0.200125 0.301512 0.044302 0.272 Uiso 1 1 calc GR . . . .
H20J H 0.177040 0.320884 0.082219 0.272 Uiso 1 1 calc GR . . . .
H20K H 0.150331 0.285173 0.048799 0.272 Uiso 1 1 calc GR . . . .
C205 C 0.2359(8) 0.2315(10) 0.1134(7) 0.171(6) Uani 1 1 d D U . . .
H20L H 0.235889 0.254857 0.137123 0.206 Uiso 1 1 calc R . . . .
H20M H 0.262920 0.237927 0.100312 0.206 Uiso 1 1 calc R . . . .
C207 C 0.6601(10) 0.0375(10) -0.2689(8) 0.154(8) Uani 1 1 d . U . . .
H20A H 0.689515 0.032780 -0.277402 0.231 Uiso 1 1 calc GR . . . .
H20B H 0.657407 0.074038 -0.258107 0.231 Uiso 1 1 calc GR . . . .
H20C H 0.638207 0.032533 -0.291540 0.231 Uiso 1 1 calc GR . . . .


_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
Ag1 Ag2 3.1998(11) . ?
Ag1 Ag15 3.3643(11) . ?
Ag1 S1 2.567(2) . ?
Ag1 S2 2.497(3) . ?
Ag1 P1 2.413(3) . ?
Ag2 Ag15 3.1186(13) . ?
Ag2 Ag23 2.9664(11) . ?
Ag2 S2 2.566(2) . ?
Ag2 S7 2.779(3) . ?
Ag2 S9 2.589(2) . ?
Ag2 S11 2.567(3) . ?
Ag3 Ag21 3.0871(11) . ?
Ag3 S2 2.614(3) . ?
Ag3 S4 2.703(2) . ?
Ag3 S15 2.538(3) . ?
Ag3 P4 2.430(3) . ?
Ag4 Ag15 2.9204(11) . ?
Ag4 Ag21 2.8886(12) . ?
Ag4 Ag25 2.9437(19) . ?
Ag4 S1 2.764(2) . ?
Ag4 S5 2.516(2) . ?
Ag4 S9 2.691(3) . ?
Ag4 S16 2.598(3) . ?
Ag5 Ag26 3.0284(19) 3_665 ?
Ag5 Ag26 3.3497(18) . ?
Ag5 S10 2.640(3) . ?
Ag5 S16 2.585(3) 3_665 ?
Ag5 S17 2.630(3) . ?
Ag5 S22 2.639(5) . ?
Ag5 S22 2.600(5) 3_665 ?
Ag6 Ag24 3.1083(14) . ?
Ag6 Ag27 3.094(8) 3_665 ?
Ag6 S3 2.663(3) . ?
Ag6 S8 2.567(3) . ?
Ag6 S16 2.507(2) . ?
Ag6 S21 2.696(3) . ?
Ag7 Ag12 3.0229(13) . ?
Ag7 Ag18 3.1594(13) . ?
Ag7 Ag20 3.1750(12) . ?
Ag7 Ag22 3.1411(12) . ?
Ag7 S3 2.644(3) 3_665 ?
Ag7 S8 2.761(3) 3_665 ?
Ag7 S12 2.620(3) . ?
Ag7 S19 2.540(3) . ?
Ag8 Ag23 3.1736(14) . ?
Ag8 S11 2.708(3) . ?
Ag8 S12 2.562(3) 3_665 ?
Ag8 S21 2.590(3) . ?
Ag8 P5 2.448(3) . ?
Ag9 Ag11 3.3300(12) . ?
Ag9 Ag18 3.1051(12) 3_665 ?
Ag9 Ag23 2.9858(13) . ?
Ag9 Ag24 3.0617(12) . ?
Ag9 S3 2.641(3) . ?
Ag9 S7 2.502(3) . ?
Ag9 S17 2.495(3) . ?
Ag10 Ag13 3.1711(14) . ?
Ag10 S4 2.644(3) . ?
Ag10 S14 2.604(3) . ?
Ag10 S20 2.674(3) . ?
Ag10 P2 2.433(3) . ?
Ag11 Ag21 3.3165(12) . ?
Ag11 Ag24 3.3734(17) . ?
Ag11 Ag25 3.0691(19) . ?
Ag11 S7 2.550(3) . ?
Ag11 S9 2.639(3) . ?
Ag11 S10 2.507(3) . ?
Ag11 S15 2.890(3) . ?
Ag12 Ag16 3.0459(14) . ?
Ag12 Ag17 2.9702(13) . ?
Ag12 Ag18 3.0034(11) . ?
Ag12 Ag20 2.9539(15) . ?
Ag12 Ag24 3.1621(17) 3_665 ?
Ag12 Ag26 2.7757(17) . ?
Ag12 S3 2.378(3) 3_665 ?
Ag12 S18 2.403(3) . ?
Ag13 Ag16 3.2781(13) . ?
Ag13 Ag20 3.2037(14) . ?
Ag13 S5 2.564(3) . ?
Ag13 S18 2.558(3) . ?
Ag13 S20 2.434(3) . ?
Ag14 Ag17 3.0709(12) . ?
Ag14 Ag21 3.3385(14) . ?
Ag14 S14 2.436(3) . ?
Ag14 S15 2.416(3) . ?
Ag15 S1 2.438(3) . ?
Ag15 S9 2.965(3) . ?
Ag15 S21 2.406(3) . ?
Ag16 Ag26 3.3551(18) . ?
Ag16 S5 2.487(2) . ?
Ag16 S13 2.832(3) . ?
Ag16 S17 2.472(3) 3_665 ?
Ag16 S18 2.916(4) . ?
Ag17 Ag20 2.9844(13) . ?
Ag17 Ag26 3.216(2) . ?
Ag17 S8 2.460(3) 3_665 ?
Ag17 S10 2.488(2) . ?
Ag17 S18 2.648(3) . ?
Ag18 Ag28 2.822(7) . ?
Ag18 S6 2.400(3) 3_665 ?
Ag18 S13 2.413(3) . ?
Ag19 S13 2.586(3) . ?
Ag19 S19 2.690(4) . ?
Ag19 S20 2.583(3) . ?
Ag19 P6 2.458(3) . ?
Ag20 S14 2.565(3) . ?
Ag20 S18 2.633(3) . ?
Ag20 S19 2.446(3) . ?
Ag21 Ag25 2.7249(19) . ?
Ag21 S4 2.406(3) . ?
Ag21 S9 2.405(3) . ?
Ag22 S6 2.568(3) 3_665 ?
Ag22 S12 2.405(3) . ?
Ag22 P3 2.383(3) . ?
Ag23 Ag27 3.069(9) 3_665 ?
Ag23 S3 2.453(3) . ?
Ag23 S6 2.784(3) . ?
Ag23 S11 2.413(3) . ?
Ag24 Ag25 2.757(2) . ?
Ag24 Ag26 2.8942(17) . ?
Ag24 Ag26 3.235(2) 3_665 ?
Ag24 S3 2.534(3) . ?
Ag24 S9 2.646(3) . ?
Ag24 S22 2.337(5) 3_665 ?
Ag24 S22 2.590(5) . ?
Ag25 S9 2.412(3) . ?
Ag25 S18 2.357(3) . ?
Ag25 S22 2.697(5) . ?
Ag26 S18 2.398(3) . ?
Ag27 Ag28 3.190(10) . ?
Ag27 S3 2.110(8) 3_665 ?
Ag27 S8 2.755(8) 3_665 ?
Ag27 S12 2.066(8) . ?
Ag28 S6 2.719(7) 3_665 ?
Ag28 S12 2.876(7) . ?
Ag28 S19 2.859(10) . ?
Ag28 P3 2.560(7) . ?
S1 C174 1.797(7) . ?
S2 C2 1.770(10) . ?
S4 C3 1.785(11) . ?
S5 C138 1.730(7) . ?
S6 C15 1.757(10) . ?
S7 C6 1.770(11) . ?
S8 C131 1.775(12) . ?
S10 C54 1.782(12) . ?
S11 C7 1.776(12) . ?
S12 C132 1.775(12) . ?
S13 C10 1.796(13) . ?
S14 C125 1.818(8) . ?
S15 C28 1.759(14) . ?
S16 C5 1.782(11) . ?
S17 C33 1.768(13) . ?
S19 C16 1.751(18) . ?
S20 C20 1.749(15) . ?
S21 C34 1.760(13) . ?
S22 S22 1.061(10) 3_665 ?
P1 C1 1.822(11) . ?
P1 C97 1.829(12) . ?
P1 C182 1.862(8) . ?
P2 C39 1.851(7) . ?
P2 C46 1.813(14) . ?
P2 C98 1.850(14) . ?
P3 C12 1.833(13) . ?
P3 C103 1.846(15) . ?
P3 C133 1.825(13) . ?
P4 C11 1.835(15) . ?
P4 C93 1.816(13) . ?
P4 C104 1.825(11) . ?
P5 C4 1.848(15) . ?
P5 C49 1.823(11) . ?
P5 C122 1.820(14) . ?
P6 C48 1.818(13) . ?
P6 C60 1.817(19) . ?
P6 C115 1.916(11) . ?
F1 C25 1.350(14) . ?
F2 C14 1.365(12) . ?
F3 C63 1.365(14) . ?
F4 C36 1.395(16) . ?
F5 C96 1.373(13) . ?
F6 C73 1.384(17) . ?
F7 C140 1.359(17) . ?
F8 C99 1.38(2) . ?
F9 C121 1.344(17) . ?
F10 C67 1.383(15) . ?
F11 C105 1.354(15) . ?
F12 C159 1.38(2) . ?
F13 C171 1.314(10) . ?
F14 C68 1.400(16) . ?
F15 C161 1.373(14) . ?
F16 C154 1.43(2) . ?
F17 C128 1.358(15) . ?
F18 C135 1.290(14) . ?
O2 C195 1.260(10) . ?
O4 C203 1.261(10) . ?
N1 C190 1.36(3) . ?
N1 C195 1.36(3) . ?
N1 C207 1.40(3) . ?
N3 C189 1.48(3) . ?
N3 C193 1.41(3) . ?
N3 C195 1.41(3) . ?
N7 C201 1.51(4) . ?
N7 C202 1.497(10) . ?
N7 C203 1.41(4) . ?
N8 C203 1.29(3) . ?
N8 C204 1.51(3) . ?
N8 C205 1.487(10) . ?
C1 C26 1.367(18) . ?
C1 C47 1.405(15) . ?
C2 C8 1.397(15) . ?
C2 C18 1.407(15) . ?
C3 C45 1.403(16) . ?
C3 C153 1.403(15) . ?
C4 C85 1.382(19) . ?
C4 C112 1.414(16) . ?
C5 C17 1.406(14) . ?
C5 C19 1.366(15) . ?
C6 C57 1.370(14) . ?
C6 C130 1.416(17) . ?
C7 C30 1.378(16) . ?
C7 C75 1.400(18) . ?
C8 C89 1.402(15) . ?
C9 C19 1.346(16) . ?
C9 C96 1.387(16) . ?
C10 C50 1.324(19) . ?
C10 C102 1.368(19) . ?
C11 C37 1.391(17) . ?
C11 C56 1.390(19) . ?
C12 C53 1.400(18) . ?
C12 C107 1.41(2) . ?
C13 C14 1.411(17) . ?
C13 C18 1.374(15) . ?
C14 C89 1.344(17) . ?
C15 C24 1.399(14) . ?
C15 C55 1.390(16) . ?
C16 C62 1.43(2) . ?
C16 C76 1.415(18) . ?
C17 C21 1.410(16) . ?
C20 C78 1.395(18) . ?
C20 C84 1.38(3) . ?
C21 C96 1.353(17) . ?
C22 C24 1.375(16) . ?
C22 C25 1.369(18) . ?
C23 C31 1.387(17) . ?
C23 C54 1.392(15) . ?
C25 C92 1.346(19) . ?
C26 C141 1.397(16) . ?
C27 C49 1.513(15) . ?
C27 C97 1.519(15) . ?
C28 C32 1.419(18) . ?
C28 C160 1.397(19) . ?
C29 C46 1.390(17) . ?
C29 C86 1.40(2) . ?
C30 C155 1.37(2) . ?
C31 C63 1.353(18) . ?
C32 C114 1.37(2) . ?
C33 C35 1.394(16) . ?
C33 C90 1.398(16) . ?
C34 C51 1.395(17) . ?
C34 C52 1.398(17) . ?
C35 C156 1.41(2) . ?
C36 C58 1.40(2) . ?
C36 C59 1.33(2) . ?
C37 C123 1.37(2) . ?
C38 C48 1.516(17) . ?
C38 C103 1.539(17) . ?
C39 C40 1.3900 . ?
C39 C44 1.3900 . ?
C40 C41 1.3900 . ?
C41 C42 1.3900 . ?
C42 C43 1.3900 . ?
C43 C44 1.3900 . ?
C45 C61 1.395(16) . ?
C46 C83 1.417(18) . ?
C47 C111 1.399(18) . ?
C50 C59 1.42(2) . ?
C51 C157 1.39(2) . ?
C52 C80 1.384(19) . ?
C53 C163 1.40(2) . ?
C54 C152 1.369(16) . ?
C55 C92 1.402(17) . ?
C56 C162 1.30(3) . ?
C57 C146 1.386(19) . ?
C58 C102 1.41(2) . ?
C60 C79 1.38(2) . ?
C60 C108 1.38(3) . ?
C61 C161 1.323(19) . ?
C62 C109 1.39(2) . ?
C63 C113 1.380(19) . ?
C64 C101 1.386(18) . ?
C64 C131 1.389(17) . ?
C65 C66 1.387(18) . ?
C65 C93 1.415(18) . ?
C66 C145 1.38(2) . ?
C67 C81 1.364(18) . ?
C67 C146 1.36(2) . ?
C68 C101 1.376(18) . ?
C68 C151 1.39(2) . ?
C69 C131 1.388(15) . ?
C69 C151 1.34(2) . ?
C70 C72 1.378(19) . ?
C70 C133 1.371(18) . ?
C71 C75 1.422(17) . ?
C71 C121 1.349(18) . ?
C72 C150 1.34(2) . ?
C73 C74 1.353(19) . ?
C73 C156 1.36(2) . ?
C74 C90 1.415(17) . ?
C76 C144 1.38(2) . ?
C77 C95 1.380(16) . ?
C77 C105 1.38(2) . ?
C78 C91 1.41(2) . ?
C79 C148 1.37(3) . ?
C80 C140 1.398(19) . ?
C81 C130 1.411(17) . ?
C82 C111 1.39(2) . ?
C82 C141 1.345(18) . ?
C83 C100 1.34(2) . ?
C84 C149 1.37(3) . ?
C85 C164 1.39(2) . ?
C86 C110 1.40(2) . ?
C87 C106 1.406(19) . ?
C87 C132 1.396(16) . ?
C88 C94 1.39(2) . ?
C88 C112 1.35(2) . ?
C91 C154 1.26(2) . ?
C93 C186 1.40(2) . ?
C94 C164 1.37(2) . ?
C95 C132 1.392(17) . ?
C98 C175 1.543(18) . ?
C99 C109 1.41(2) . ?
C99 C144 1.28(2) . ?
C100 C110 1.37(3) . ?
C104 C175 1.55(2) . ?
C105 C106 1.33(2) . ?
C107 C167 1.35(2) . ?
C108 C168 1.33(3) . ?
C113 C152 1.408(18) . ?
C114 C159 1.32(2) . ?
C115 C116 1.3900 . ?
C115 C120 1.3900 . ?
C116 C117 1.3900 . ?
C117 C118 1.3900 . ?
C118 C119 1.3900 . ?
C119 C120 1.3900 . ?
C121 C155 1.37(2) . ?
C122 C147 1.34(2) . ?
C122 C183 1.35(3) . ?
C123 C176 1.39(2) . ?
C124 C125 1.3900 . ?
C124 C129 1.3900 . ?
C125 C126 1.3900 . ?
C126 C127 1.3900 . ?
C127 C128 1.3900 . ?
C128 C129 1.3900 . ?
C133 C165 1.405(18) . ?
C134 C135 1.3900 . ?
C134 C139 1.3900 . ?
C135 C136 1.3900 . ?
C136 C137 1.3900 . ?
C137 C138 1.3900 . ?
C138 C139 1.3900 . ?
C140 C157 1.37(2) . ?
C142 C153 1.370(18) . ?
C142 C161 1.39(2) . ?
C143 C163 1.34(2) . ?
C143 C167 1.31(2) . ?
C145 C185 1.38(3) . ?
C147 C158 1.37(2) . ?
C148 C196 1.34(3) . ?
C149 C154 1.42(3) . ?
C150 C184 1.40(2) . ?
C158 C187 1.33(3) . ?
C159 C166 1.35(3) . ?
C160 C166 1.53(3) . ?
C162 C176 1.45(3) . ?
C165 C184 1.34(2) . ?
C168 C196 1.34(3) . ?
C169 C170 1.3900 . ?
C169 C174 1.3900 . ?
C170 C171 1.3900 . ?
C171 C172 1.3900 . ?
C172 C173 1.3900 . ?
C173 C174 1.3900 . ?
C177 C178 1.3900 . ?
C177 C182 1.3900 . ?
C178 C179 1.3900 . ?
C179 C180 1.3900 . ?
C180 C181 1.3900 . ?
C181 C182 1.3900 . ?
C183 C198 1.42(3) . ?
C185 C186 1.40(3) . ?
C187 C198 1.29(3) . ?
C189 C190 1.51(4) . ?
C202 C205 1.506(10) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Ag2 Ag1 Ag15 56.66(3) . . ?
S1 Ag1 Ag2 86.99(6) . . ?
S1 Ag1 Ag15 46.15(6) . . ?
S2 Ag1 Ag2 51.78(6) . . ?
S2 Ag1 Ag15 99.84(6) . . ?
S2 Ag1 S1 98.93(8) . . ?
P1 Ag1 Ag2 131.52(7) . . ?
P1 Ag1 Ag15 113.72(7) . . ?
P1 Ag1 S1 121.53(9) . . ?
P1 Ag1 S2 138.66(9) . . ?
Ag15 Ag2 Ag1 64.33(3) . . ?
Ag23 Ag2 Ag1 126.49(4) . . ?
Ag23 Ag2 Ag15 80.89(3) . . ?
S2 Ag2 Ag1 49.85(6) . . ?
S2 Ag2 Ag15 104.89(6) . . ?
S2 Ag2 Ag23 166.88(6) . . ?
S2 Ag2 S7 110.88(8) . . ?
S2 Ag2 S9 103.05(8) . . ?
S7 Ag2 Ag1 159.37(6) . . ?
S7 Ag2 Ag15 135.35(6) . . ?
S7 Ag2 Ag23 70.25(6) . . ?
S9 Ag2 Ag1 105.70(6) . . ?
S9 Ag2 Ag15 61.77(7) . . ?
S9 Ag2 Ag23 90.07(7) . . ?
S9 Ag2 S7 84.42(8) . . ?
S11 Ag2 Ag1 82.00(7) . . ?
S11 Ag2 Ag15 79.11(7) . . ?
S11 Ag2 Ag23 51.08(6) . . ?
S11 Ag2 S2 117.73(8) . . ?
S11 Ag2 S7 105.71(9) . . ?
S11 Ag2 S9 129.46(9) . . ?
S2 Ag3 Ag21 78.32(6) . . ?
S2 Ag3 S4 113.65(8) . . ?
S4 Ag3 Ag21 48.55(6) . . ?
S15 Ag3 Ag21 75.20(7) . . ?
S15 Ag3 S2 106.75(8) . . ?
S15 Ag3 S4 95.98(8) . . ?
P4 Ag3 Ag21 148.13(8) . . ?
P4 Ag3 S2 113.29(9) . . ?
P4 Ag3 S4 101.14(9) . . ?
P4 Ag3 S15 124.56(11) . . ?
Ag15 Ag4 Ag25 111.65(4) . . ?
Ag21 Ag4 Ag15 96.87(4) . . ?
Ag21 Ag4 Ag25 55.70(4) . . ?
S1 Ag4 Ag15 50.70(5) . . ?
S1 Ag4 Ag21 80.05(6) . . ?
S1 Ag4 Ag25 131.70(6) . . ?
S5 Ag4 Ag15 160.67(7) . . ?
S5 Ag4 Ag21 87.23(7) . . ?
S5 Ag4 Ag25 86.29(7) . . ?
S5 Ag4 S1 112.10(8) . . ?
S5 Ag4 S9 130.54(9) . . ?
S5 Ag4 S16 107.30(8) . . ?
S9 Ag4 Ag15 63.63(6) . . ?
S9 Ag4 Ag21 50.91(7) . . ?
S9 Ag4 Ag25 50.45(6) . . ?
S9 Ag4 S1 88.05(7) . . ?
S16 Ag4 Ag15 82.86(6) . . ?
S16 Ag4 Ag21 135.75(7) . . ?
S16 Ag4 Ag25 83.12(7) . . ?
S16 Ag4 S1 127.47(8) . . ?
S16 Ag4 S9 91.83(8) . . ?
Ag26 Ag5 Ag26 73.00(5) 3_665 . ?
S10 Ag5 Ag26 141.96(7) . 3_665 ?
S10 Ag5 Ag26 70.86(7) . . ?
S16 Ag5 Ag26 117.43(6) 3_665 . ?
S16 Ag5 Ag26 88.95(7) 3_665 3_665 ?
S16 Ag5 S10 118.12(9) 3_665 . ?
S16 Ag5 S17 112.11(8) 3_665 . ?
S16 Ag5 S22 107.19(12) 3_665 . ?
S16 Ag5 S22 105.80(12) 3_665 3_665 ?
S17 Ag5 Ag26 91.04(8) . 3_665 ?
S17 Ag5 Ag26 127.12(7) . . ?
S17 Ag5 S10 101.34(8) . . ?
S17 Ag5 S22 122.80(13) . . ?
S22 Ag5 Ag26 49.61(11) . 3_665 ?
S22 Ag5 Ag26 27.90(11) 3_665 3_665 ?
S22 Ag5 S10 114.32(13) 3_665 . ?
S22 Ag5 S10 94.70(13) . . ?
S22 Ag5 S17 104.41(12) 3_665 . ?
S22 Ag5 S22 23.3(2) 3_665 . ?
Ag27 Ag6 Ag24 93.40(15) 3_665 . ?
S3 Ag6 Ag24 51.39(6) . . ?
S3 Ag6 Ag27 42.16(16) . 3_665 ?
S3 Ag6 S21 92.06(9) . . ?
S8 Ag6 Ag24 118.36(8) . . ?
S8 Ag6 Ag27 57.34(17) . 3_665 ?
S8 Ag6 S3 86.18(9) . . ?
S8 Ag6 S21 106.12(9) . . ?
S16 Ag6 Ag24 74.90(7) . . ?
S16 Ag6 Ag27 166.14(17) . 3_665 ?
S16 Ag6 S3 125.25(9) . . ?
S16 Ag6 S8 134.83(9) . . ?
S16 Ag6 S21 104.24(9) . . ?
S21 Ag6 Ag24 116.21(8) . . ?
S21 Ag6 Ag27 73.93(18) . 3_665 ?
Ag12 Ag7 Ag18 58.08(3) . . ?
Ag12 Ag7 Ag20 56.86(3) . . ?
Ag12 Ag7 Ag22 124.06(4) . . ?
Ag18 Ag7 Ag20 83.46(4) . . ?
Ag22 Ag7 Ag18 67.29(3) . . ?
Ag22 Ag7 Ag20 129.43(4) . . ?
S3 Ag7 Ag12 49.06(6) 3_665 . ?
S3 Ag7 Ag18 69.24(6) 3_665 . ?
S3 Ag7 Ag20 104.87(6) 3_665 . ?
S3 Ag7 Ag22 101.98(6) 3_665 . ?
S3 Ag7 S8 82.77(8) 3_665 3_665 ?
S8 Ag7 Ag12 77.67(7) 3_665 . ?
S8 Ag7 Ag18 135.75(7) 3_665 . ?
S8 Ag7 Ag20 71.12(6) 3_665 . ?
S8 Ag7 Ag22 154.96(7) 3_665 . ?
S12 Ag7 Ag12 143.13(7) . . ?
S12 Ag7 Ag18 108.57(7) . . ?
S12 Ag7 Ag20 159.93(7) . . ?
S12 Ag7 Ag22 48.30(7) . . ?
S12 Ag7 S3 94.57(8) . 3_665 ?
S12 Ag7 S8 107.16(9) . 3_665 ?
S19 Ag7 Ag12 94.90(8) . . ?
S19 Ag7 Ag18 77.00(11) . . ?
S19 Ag7 Ag20 49.16(6) . . ?
S19 Ag7 Ag22 83.47(8) . . ?
S19 Ag7 S3 140.00(11) . 3_665 ?
S19 Ag7 S8 108.84(10) . 3_665 ?
S19 Ag7 S12 116.54(9) . . ?
S11 Ag8 Ag23 47.63(6) . . ?
S12 Ag8 Ag23 74.28(6) 3_665 . ?
S12 Ag8 S11 116.54(9) 3_665 . ?
S12 Ag8 S21 98.63(9) 3_665 . ?
S21 Ag8 Ag23 77.78(8) . . ?
S21 Ag8 S11 92.55(9) . . ?
P5 Ag8 Ag23 149.00(8) . . ?
P5 Ag8 S11 103.31(9) . . ?
P5 Ag8 S12 122.58(9) . 3_665 ?
P5 Ag8 S21 119.93(11) . . ?
Ag18 Ag9 Ag11 169.26(4) 3_665 . ?
Ag23 Ag9 Ag11 99.76(3) . . ?
Ag23 Ag9 Ag18 87.88(3) . 3_665 ?
Ag23 Ag9 Ag24 84.59(4) . . ?
Ag24 Ag9 Ag11 63.55(3) . . ?
Ag24 Ag9 Ag18 110.14(4) . 3_665 ?
S3 Ag9 Ag11 108.81(6) . . ?
S3 Ag9 Ag18 70.16(6) . 3_665 ?
S3 Ag9 Ag23 51.25(6) . . ?
S3 Ag9 Ag24 52.13(6) . . ?
S7 Ag9 Ag11 49.40(6) . . ?
S7 Ag9 Ag18 141.00(7) . 3_665 ?
S7 Ag9 Ag23 73.57(7) . . ?
S7 Ag9 Ag24 102.05(7) . . ?
S7 Ag9 S3 117.51(9) . . ?
S17 Ag9 Ag11 91.82(7) . . ?
S17 Ag9 Ag18 79.08(7) . 3_665 ?
S17 Ag9 Ag23 162.39(8) . . ?
S17 Ag9 Ag24 88.83(7) . . ?
S17 Ag9 S3 112.41(9) . . ?
S17 Ag9 S7 123.88(10) . . ?
S4 Ag10 Ag13 72.04(6) . . ?
S4 Ag10 S20 112.89(10) . . ?
S14 Ag10 Ag13 80.62(7) . . ?
S14 Ag10 S4 103.28(8) . . ?
S14 Ag10 S20 95.33(9) . . ?
S20 Ag10 Ag13 48.30(6) . . ?
P2 Ag10 Ag13 157.68(8) . . ?
P2 Ag10 S4 114.96(9) . . ?
P2 Ag10 S14 116.08(10) . . ?
P2 Ag10 S20 112.45(9) . . ?
Ag9 Ag11 Ag24 54.35(3) . . ?
Ag21 Ag11 Ag9 129.77(4) . . ?
Ag21 Ag11 Ag24 88.13(3) . . ?
Ag25 Ag11 Ag9 104.75(4) . . ?
Ag25 Ag11 Ag21 50.34(4) . . ?
Ag25 Ag11 Ag24 50.41(4) . . ?
S7 Ag11 Ag9 48.16(6) . . ?
S7 Ag11 Ag21 113.80(7) . . ?
S7 Ag11 Ag24 93.17(7) . . ?
S7 Ag11 Ag25 134.79(8) . . ?
S7 Ag11 S9 88.12(9) . . ?
S7 Ag11 S15 99.13(8) . . ?
S9 Ag11 Ag9 84.10(7) . . ?
S9 Ag11 Ag21 45.91(6) . . ?
S9 Ag11 Ag24 50.43(6) . . ?
S9 Ag11 Ag25 49.29(6) . . ?
S9 Ag11 S15 108.41(8) . . ?
S10 Ag11 Ag9 105.27(7) . . ?
S10 Ag11 Ag21 109.11(7) . . ?
S10 Ag11 Ag24 92.88(7) . . ?
S10 Ag11 Ag25 78.38(7) . . ?
S10 Ag11 S7 136.82(9) . . ?
S10 Ag11 S9 127.07(9) . . ?
S10 Ag11 S15 92.64(8) . . ?
S15 Ag11 Ag9 145.59(6) . . ?
S15 Ag11 Ag21 67.35(6) . . ?
S15 Ag11 Ag24 155.32(6) . . ?
S15 Ag11 Ag25 107.55(7) . . ?
Ag7 Ag12 Ag16 134.88(4) . . ?
Ag7 Ag12 Ag24 107.25(3) . 3_665 ?
Ag16 Ag12 Ag24 105.69(4) . 3_665 ?
Ag17 Ag12 Ag7 87.37(4) . . ?
Ag17 Ag12 Ag16 120.25(4) . . ?
Ag17 Ag12 Ag18 146.13(5) . . ?
Ag17 Ag12 Ag24 93.75(4) . 3_665 ?
Ag18 Ag12 Ag7 63.24(3) . . ?
Ag18 Ag12 Ag16 76.96(3) . . ?
Ag18 Ag12 Ag24 110.15(4) . 3_665 ?
Ag20 Ag12 Ag7 64.16(3) . . ?
Ag20 Ag12 Ag16 97.23(4) . . ?
Ag20 Ag12 Ag17 60.50(4) . . ?
Ag20 Ag12 Ag18 90.10(4) . . ?
Ag20 Ag12 Ag24 152.13(5) . 3_665 ?
Ag26 Ag12 Ag16 70.21(4) . . ?
Ag26 Ag12 Ag17 67.97(4) . . ?
Ag26 Ag12 Ag18 143.49(6) . . ?
Ag26 Ag12 Ag20 109.14(5) . . ?
S3 Ag12 Ag7 57.13(7) 3_665 . ?
S3 Ag12 Ag16 132.96(8) 3_665 . ?
S3 Ag12 Ag17 103.67(7) 3_665 . ?
S3 Ag12 Ag18 75.31(6) 3_665 . ?
S3 Ag12 Ag20 119.89(8) 3_665 . ?
S3 Ag12 Ag24 52.14(7) 3_665 3_665 ?
S3 Ag12 Ag26 116.80(7) 3_665 . ?
S3 Ag12 S18 160.96(11) 3_665 . ?
S18 Ag12 Ag7 121.31(8) . . ?
S18 Ag12 Ag16 63.42(9) . . ?
S18 Ag12 Ag17 57.91(9) . . ?
S18 Ag12 Ag18 122.27(8) . . ?
S18 Ag12 Ag20 57.78(7) . . ?
S18 Ag12 Ag24 119.57(7) . 3_665 ?
S18 Ag12 Ag26 54.59(7) . . ?
Ag10 Ag13 Ag16 160.44(4) . . ?
Ag10 Ag13 Ag20 80.99(3) . . ?
Ag20 Ag13 Ag16 87.98(4) . . ?
S5 Ag13 Ag10 134.47(7) . . ?
S5 Ag13 Ag16 48.52(6) . . ?
S5 Ag13 Ag20 133.88(7) . . ?
S18 Ag13 Ag10 102.23(9) . . ?
S18 Ag13 Ag16 58.40(9) . . ?
S18 Ag13 Ag20 52.94(7) . . ?
S18 Ag13 S5 86.41(9) . . ?
S20 Ag13 Ag10 55.12(7) . . ?
S20 Ag13 Ag16 138.60(7) . . ?
S20 Ag13 Ag20 79.84(9) . . ?
S20 Ag13 S5 141.18(11) . . ?
S20 Ag13 S18 131.63(11) . . ?
Ag17 Ag14 Ag21 107.09(4) . . ?
S14 Ag14 Ag17 73.90(7) . . ?
S14 Ag14 Ag21 116.45(7) . . ?
S15 Ag14 Ag17 138.03(8) . . ?
S15 Ag14 Ag21 71.89(7) . . ?
S15 Ag14 S14 145.76(11) . . ?
Ag2 Ag15 Ag1 59.01(2) . . ?
Ag4 Ag15 Ag1 103.78(3) . . ?
Ag4 Ag15 Ag2 99.05(4) . . ?
Ag4 Ag15 S9 54.42(5) . . ?
S1 Ag15 Ag1 49.42(6) . . ?
S1 Ag15 Ag2 91.13(6) . . ?
S1 Ag15 Ag4 61.31(6) . . ?
S1 Ag15 S9 88.58(8) . . ?
S9 Ag15 Ag1 93.79(6) . . ?
S9 Ag15 Ag2 50.30(5) . . ?
S21 Ag15 Ag1 128.83(7) . . ?
S21 Ag15 Ag2 111.24(8) . . ?
S21 Ag15 Ag4 127.12(7) . . ?
S21 Ag15 S1 152.15(11) . . ?
S21 Ag15 S9 118.28(10) . . ?
Ag12 Ag16 Ag13 84.54(4) . . ?
Ag12 Ag16 Ag26 51.12(4) . . ?
Ag13 Ag16 Ag26 90.10(4) . . ?
S5 Ag16 Ag12 127.76(8) . . ?
S5 Ag16 Ag13 50.57(7) . . ?
S5 Ag16 Ag26 97.89(7) . . ?
S5 Ag16 S13 102.33(8) . . ?
S5 Ag16 S18 80.52(8) . . ?
S13 Ag16 Ag12 77.04(8) . . ?
S13 Ag16 Ag13 66.83(6) . . ?
S13 Ag16 Ag26 125.49(9) . . ?
S13 Ag16 S18 90.26(9) . . ?
S17 Ag16 Ag12 78.76(8) 3_665 . ?
S17 Ag16 Ag13 160.92(8) 3_665 . ?
S17 Ag16 Ag26 86.58(7) 3_665 . ?
S17 Ag16 S5 148.51(11) 3_665 . ?
S17 Ag16 S13 100.14(8) 3_665 . ?
S17 Ag16 S18 121.26(9) 3_665 . ?
S18 Ag16 Ag12 47.49(6) . . ?
S18 Ag16 Ag13 48.35(5) . . ?
S18 Ag16 Ag26 44.28(6) . . ?
Ag12 Ag17 Ag14 121.24(4) . . ?
Ag12 Ag17 Ag20 59.48(4) . . ?
Ag12 Ag17 Ag26 53.14(4) . . ?
Ag14 Ag17 Ag26 92.11(4) . . ?
Ag20 Ag17 Ag14 85.97(3) . . ?
Ag20 Ag17 Ag26 97.65(5) . . ?
S8 Ag17 Ag12 83.40(7) 3_665 . ?
S8 Ag17 Ag14 137.99(8) 3_665 . ?
S8 Ag17 Ag20 78.49(7) 3_665 . ?
S8 Ag17 Ag26 128.30(8) 3_665 . ?
S8 Ag17 S10 128.79(10) 3_665 . ?
S8 Ag17 S18 125.48(9) 3_665 . ?
S10 Ag17 Ag12 126.74(8) . . ?
S10 Ag17 Ag14 66.03(6) . . ?
S10 Ag17 Ag20 150.39(7) . . ?
S10 Ag17 Ag26 75.00(7) . . ?
S10 Ag17 S18 103.89(9) . . ?
S18 Ag17 Ag12 50.25(7) . . ?
S18 Ag17 Ag14 71.15(7) . . ?
S18 Ag17 Ag20 55.34(6) . . ?
S18 Ag17 Ag26 47.05(7) . . ?
Ag9 Ag18 Ag7 95.87(3) 3_665 . ?
Ag12 Ag18 Ag7 58.68(3) . . ?
Ag12 Ag18 Ag9 69.56(3) . 3_665 ?
Ag28 Ag18 Ag12 110.92(14) . . ?
S6 Ag18 Ag7 84.77(7) 3_665 . ?
S6 Ag18 Ag9 65.80(6) 3_665 3_665 ?
S6 Ag18 Ag12 117.45(7) 3_665 . ?
S6 Ag18 Ag28 62.13(19) 3_665 . ?
S6 Ag18 S13 158.08(9) 3_665 . ?
S13 Ag18 Ag7 110.29(9) . . ?
S13 Ag18 Ag9 125.60(8) . 3_665 ?
S13 Ag18 Ag12 84.39(7) . . ?
S13 Ag18 Ag28 113.87(18) . . ?
S13 Ag19 S19 89.31(11) . . ?
S20 Ag19 S13 105.60(10) . . ?
S20 Ag19 S19 112.18(11) . . ?
P6 Ag19 S13 120.66(12) . . ?
P6 Ag19 S19 108.68(14) . . ?
P6 Ag19 S20 117.13(10) . . ?
Ag7 Ag20 Ag13 136.05(5) . . ?
Ag12 Ag20 Ag7 58.97(3) . . ?
Ag12 Ag20 Ag13 87.38(4) . . ?
Ag12 Ag20 Ag17 60.02(3) . . ?
Ag17 Ag20 Ag7 84.39(3) . . ?
Ag17 Ag20 Ag13 103.54(3) . . ?
S14 Ag20 Ag7 141.67(8) . . ?
S14 Ag20 Ag12 127.76(7) . . ?
S14 Ag20 Ag13 80.56(7) . . ?
S14 Ag20 Ag17 73.81(6) . . ?
S14 Ag20 S18 84.43(10) . . ?
S18 Ag20 Ag7 109.04(7) . . ?
S18 Ag20 Ag12 50.56(7) . . ?
S18 Ag20 Ag13 50.85(6) . . ?
S18 Ag20 Ag17 55.84(7) . . ?
S19 Ag20 Ag7 51.76(7) . . ?
S19 Ag20 Ag12 98.71(9) . . ?
S19 Ag20 Ag13 115.76(10) . . ?
S19 Ag20 Ag17 134.63(8) . . ?
S19 Ag20 S14 132.29(11) . . ?
S19 Ag20 S18 141.65(14) . . ?
Ag3 Ag21 Ag11 89.73(3) . . ?
Ag3 Ag21 Ag14 75.36(3) . . ?
Ag4 Ag21 Ag3 147.45(5) . . ?
Ag4 Ag21 Ag11 107.66(3) . . ?
Ag4 Ag21 Ag14 137.07(4) . . ?
Ag11 Ag21 Ag14 61.53(3) . . ?
Ag25 Ag21 Ag3 146.55(5) . . ?
Ag25 Ag21 Ag4 63.18(5) . . ?
Ag25 Ag21 Ag11 60.12(4) . . ?
Ag25 Ag21 Ag14 77.32(5) . . ?
S4 Ag21 Ag3 57.35(6) . . ?
S4 Ag21 Ag4 120.84(7) . . ?
S4 Ag21 Ag11 129.15(7) . . ?
S4 Ag21 Ag14 72.44(7) . . ?
S4 Ag21 Ag25 129.98(8) . . ?
S9 Ag21 Ag3 118.35(7) . . ?
S9 Ag21 Ag4 60.30(7) . . ?
S9 Ag21 Ag11 52.02(7) . . ?
S9 Ag21 Ag14 110.76(7) . . ?
S9 Ag21 Ag25 55.68(7) . . ?
S9 Ag21 S4 174.34(10) . . ?
S6 Ag22 Ag7 82.51(6) 3_665 . ?
S12 Ag22 Ag7 54.43(6) . . ?
S12 Ag22 S6 100.67(9) . 3_665 ?
P3 Ag22 Ag7 137.50(10) . . ?
P3 Ag22 S6 115.01(10) . 3_665 ?
P3 Ag22 S12 142.75(12) . . ?
Ag2 Ag23 Ag8 102.36(4) . . ?
Ag2 Ag23 Ag9 91.13(3) . . ?
Ag2 Ag23 Ag27 143.58(16) . 3_665 ?
Ag9 Ag23 Ag8 162.19(4) . . ?
Ag9 Ag23 Ag27 92.92(16) . 3_665 ?
Ag27 Ag23 Ag8 69.32(16) 3_665 . ?
S3 Ag23 Ag2 114.18(7) . . ?
S3 Ag23 Ag8 106.12(8) . . ?
S3 Ag23 Ag9 57.10(7) . . ?
S3 Ag23 Ag27 43.14(16) . 3_665 ?
S3 Ag23 S6 84.04(8) . . ?
S6 Ag23 Ag2 134.94(7) . . ?
S6 Ag23 Ag8 111.80(6) . . ?
S6 Ag23 Ag9 63.67(6) . . ?
S6 Ag23 Ag27 78.00(17) . 3_665 ?
S11 Ag23 Ag2 55.86(6) . . ?
S11 Ag23 Ag8 56.01(7) . . ?
S11 Ag23 Ag9 141.53(8) . . ?
S11 Ag23 Ag27 125.18(18) . 3_665 ?
S11 Ag23 S3 149.73(11) . . ?
S11 Ag23 S6 124.07(9) . . ?
Ag6 Ag24 Ag11 139.31(5) . . ?
Ag6 Ag24 Ag12 75.13(4) . 3_665 ?
Ag6 Ag24 Ag26 97.06(5) . 3_665 ?
Ag9 Ag24 Ag6 109.53(4) . . ?
Ag9 Ag24 Ag11 62.10(3) . . ?
Ag9 Ag24 Ag12 68.09(3) . 3_665 ?
Ag9 Ag24 Ag26 103.14(5) . 3_665 ?
Ag12 Ag24 Ag11 126.43(4) 3_665 . ?
Ag12 Ag24 Ag26 51.42(4) 3_665 3_665 ?
Ag25 Ag24 Ag6 114.74(5) . . ?
Ag25 Ag24 Ag9 121.16(6) . . ?
Ag25 Ag24 Ag11 59.07(5) . . ?
Ag25 Ag24 Ag12 158.85(6) . 3_665 ?
Ag25 Ag24 Ag26 107.63(5) . 3_665 ?
Ag26 Ag24 Ag6 119.33(5) . . ?
Ag26 Ag24 Ag9 130.90(6) . . ?
Ag26 Ag24 Ag11 123.53(5) 3_665 . ?
Ag26 Ag24 Ag11 77.23(5) . . ?
S3 Ag24 Ag6 55.20(7) . . ?
S3 Ag24 Ag9 55.36(7) . . ?
S3 Ag24 Ag11 110.30(7) . . ?
S3 Ag24 Ag12 47.79(6) . 3_665 ?
S3 Ag24 Ag25 153.32(9) . . ?
S3 Ag24 Ag26 172.46(9) . . ?
S3 Ag24 Ag26 98.50(8) . 3_665 ?
S3 Ag24 S9 100.78(9) . . ?
S3 Ag24 S22 145.42(14) . . ?
S9 Ag24 Ag6 92.29(7) . . ?
S9 Ag24 Ag9 89.55(6) . . ?
S9 Ag24 Ag11 50.25(7) . . ?
S9 Ag24 Ag12 147.93(7) . 3_665 ?
S9 Ag24 Ag25 52.99(7) . . ?
S9 Ag24 Ag26 160.62(7) . 3_665 ?
S9 Ag24 Ag26 84.15(7) . . ?
S22 Ag24 Ag6 116.36(12) . . ?
S22 Ag24 Ag6 106.52(14) 3_665 . ?
S22 Ag24 Ag9 126.66(12) . . ?
S22 Ag24 Ag9 117.63(13) 3_665 . ?
S22 Ag24 Ag11 112.31(14) 3_665 . ?
S22 Ag24 Ag11 95.76(12) . . ?
S22 Ag24 Ag12 98.48(12) . 3_665 ?
S22 Ag24 Ag12 74.48(12) 3_665 3_665 ?
S22 Ag24 Ag25 60.49(12) . . ?
S22 Ag24 Ag25 84.59(13) 3_665 . ?
S22 Ag24 Ag26 23.07(12) 3_665 3_665 ?
S22 Ag24 Ag26 47.15(11) . 3_665 ?
S22 Ag24 S3 121.30(14) 3_665 . ?
S22 Ag24 S9 113.47(13) . . ?
S22 Ag24 S9 137.56(14) 3_665 . ?
S22 Ag24 S22 24.2(2) 3_665 . ?
Ag4 Ag25 Ag11 113.04(5) . . ?
Ag21 Ag25 Ag4 61.13(4) . . ?
Ag21 Ag25 Ag11 69.54(4) . . ?
Ag21 Ag25 Ag24 116.14(6) . . ?
Ag24 Ag25 Ag4 93.19(6) . . ?
Ag24 Ag25 Ag11 70.53(5) . . ?
S9 Ag25 Ag4 59.34(7) . . ?
S9 Ag25 Ag11 56.03(7) . . ?
S9 Ag25 Ag21 55.42(8) . . ?
S9 Ag25 Ag24 61.14(8) . . ?
S9 Ag25 S22 117.83(13) . . ?
S18 Ag25 Ag4 107.32(10) . . ?
S18 Ag25 Ag11 116.31(11) . . ?
S18 Ag25 Ag21 91.16(9) . . ?
S18 Ag25 Ag24 151.71(10) . . ?
S18 Ag25 S9 146.59(12) . . ?
S18 Ag25 S22 95.28(13) . . ?
S22 Ag25 Ag4 123.28(13) . . ?
S22 Ag25 Ag11 100.97(11) . . ?
S22 Ag25 Ag21 170.25(12) . . ?
S22 Ag25 Ag24 56.69(10) . . ?
Ag5 Ag26 Ag5 107.00(5) 3_665 . ?
Ag5 Ag26 Ag16 67.61(4) 3_665 . ?
Ag5 Ag26 Ag16 162.12(6) . . ?
Ag5 Ag26 Ag17 152.28(6) 3_665 . ?
Ag5 Ag26 Ag24 67.45(4) 3_665 3_665 ?
Ag12 Ag26 Ag5 106.79(6) . . ?
Ag12 Ag26 Ag5 97.03(5) . 3_665 ?
Ag12 Ag26 Ag16 58.67(4) . . ?
Ag12 Ag26 Ag17 58.89(4) . . ?
Ag12 Ag26 Ag24 166.16(7) . . ?
Ag12 Ag26 Ag24 62.94(4) . 3_665 ?
Ag17 Ag26 Ag5 71.38(4) . . ?
Ag17 Ag26 Ag16 105.08(5) . . ?
Ag17 Ag26 Ag24 87.91(5) . 3_665 ?
Ag24 Ag26 Ag5 67.33(4) . . ?
Ag24 Ag26 Ag5 65.36(4) 3_665 . ?
Ag24 Ag26 Ag5 73.77(5) . 3_665 ?
Ag24 Ag26 Ag16 97.32(4) 3_665 . ?
Ag24 Ag26 Ag16 124.10(6) . . ?
Ag24 Ag26 Ag17 126.68(6) . . ?
Ag24 Ag26 Ag24 103.53(5) . 3_665 ?
S18 Ag26 Ag5 124.36(11) . . ?
S18 Ag26 Ag5 125.70(11) . 3_665 ?
S18 Ag26 Ag12 54.77(8) . . ?
S18 Ag26 Ag16 58.10(9) . . ?
S18 Ag26 Ag17 53.93(9) . . ?
S18 Ag26 Ag24 117.07(9) . 3_665 ?
S18 Ag26 Ag24 139.04(10) . . ?
Ag6 Ag27 Ag28 164.1(3) 3_665 . ?
Ag23 Ag27 Ag6 84.9(2) 3_665 3_665 ?
Ag23 Ag27 Ag28 90.5(3) 3_665 . ?
S3 Ag27 Ag6 57.93(19) 3_665 3_665 ?
S3 Ag27 Ag23 52.7(2) 3_665 3_665 ?
S3 Ag27 Ag28 107.5(3) 3_665 . ?
S3 Ag27 S8 93.6(3) 3_665 3_665 ?
S8 Ag27 Ag6 51.66(14) 3_665 3_665 ?
S8 Ag27 Ag23 136.3(3) 3_665 3_665 ?
S8 Ag27 Ag28 129.5(4) 3_665 . ?
S12 Ag27 Ag6 132.1(4) . 3_665 ?
S12 Ag27 Ag23 83.4(3) . 3_665 ?
S12 Ag27 Ag28 62.1(3) . . ?
S12 Ag27 S3 135.7(5) . 3_665 ?
S12 Ag27 S8 127.2(4) . 3_665 ?
Ag18 Ag28 Ag27 75.9(2) . . ?
Ag18 Ag28 S12 111.22(19) . . ?
Ag18 Ag28 S19 78.1(2) . . ?
S6 Ag28 Ag18 51.28(11) 3_665 . ?
S6 Ag28 Ag27 76.8(2) 3_665 . ?
S6 Ag28 S12 86.3(2) 3_665 . ?
S6 Ag28 S19 126.9(3) 3_665 . ?
S12 Ag28 Ag27 39.41(18) . . ?
S19 Ag28 Ag27 75.9(3) . . ?
S19 Ag28 S12 99.8(2) . . ?
P3 Ag28 Ag18 127.0(2) . . ?
P3 Ag28 Ag27 152.4(4) . . ?
P3 Ag28 S6 104.6(3) . 3_665 ?
P3 Ag28 S12 113.0(3) . . ?
P3 Ag28 S19 120.2(3) . . ?
Ag1 S1 Ag4 136.53(9) . . ?
Ag15 S1 Ag1 84.43(7) . . ?
Ag15 S1 Ag4 67.98(6) . . ?
C174 S1 Ag1 104.9(4) . . ?
C174 S1 Ag4 114.6(4) . . ?
C174 S1 Ag15 106.4(4) . . ?
Ag1 S2 Ag2 78.38(7) . . ?
Ag1 S2 Ag3 137.64(10) . . ?
Ag2 S2 Ag3 119.65(9) . . ?
C2 S2 Ag1 114.6(4) . . ?
C2 S2 Ag2 100.6(3) . . ?
C2 S2 Ag3 100.1(4) . . ?
Ag7 S3 Ag6 92.67(9) 3_665 . ?
Ag9 S3 Ag6 143.64(11) . . ?
Ag9 S3 Ag7 123.29(10) . 3_665 ?
Ag12 S3 Ag6 98.49(9) 3_665 . ?
Ag12 S3 Ag7 73.81(8) 3_665 3_665 ?
Ag12 S3 Ag9 87.81(9) 3_665 . ?
Ag12 S3 Ag23 152.64(12) 3_665 . ?
Ag12 S3 Ag24 80.08(9) 3_665 . ?
Ag23 S3 Ag6 108.78(10) . . ?
Ag23 S3 Ag7 102.10(9) . 3_665 ?
Ag23 S3 Ag9 71.65(8) . . ?
Ag23 S3 Ag24 109.36(11) . . ?
Ag24 S3 Ag6 73.41(7) . . ?
Ag24 S3 Ag7 148.23(11) . 3_665 ?
Ag24 S3 Ag9 72.51(8) . . ?
Ag27 S3 Ag6 79.9(2) 3_665 . ?
Ag27 S3 Ag9 134.7(2) 3_665 . ?
Ag27 S3 Ag23 84.2(3) 3_665 . ?
Ag27 S3 Ag24 152.8(2) 3_665 . ?
Ag10 S4 Ag3 124.02(10) . . ?
Ag21 S4 Ag3 74.10(7) . . ?
Ag21 S4 Ag10 130.24(11) . . ?
C3 S4 Ag3 106.4(4) . . ?
C3 S4 Ag10 109.7(4) . . ?
C3 S4 Ag21 106.8(4) . . ?
Ag4 S5 Ag13 124.53(11) . . ?
Ag16 S5 Ag4 101.26(9) . . ?
Ag16 S5 Ag13 80.91(8) . . ?
C138 S5 Ag4 112.2(4) . . ?
C138 S5 Ag13 116.5(4) . . ?
C138 S5 Ag16 115.2(3) . . ?
Ag18 S6 Ag22 89.22(9) 3_665 3_665 ?
Ag18 S6 Ag23 109.06(9) 3_665 . ?
Ag18 S6 Ag28 66.6(2) 3_665 3_665 ?
Ag22 S6 Ag23 99.03(9) 3_665 . ?
Ag22 S6 Ag28 22.76(18) 3_665 3_665 ?
Ag28 S6 Ag23 107.85(15) 3_665 . ?
C15 S6 Ag18 110.8(3) . 3_665 ?
C15 S6 Ag22 103.1(3) . 3_665 ?
C15 S6 Ag23 134.2(3) . . ?
C15 S6 Ag28 108.0(4) . 3_665 ?
Ag9 S7 Ag2 107.05(10) . . ?
Ag9 S7 Ag11 82.44(8) . . ?
Ag11 S7 Ag2 87.27(8) . . ?
C6 S7 Ag2 132.5(3) . . ?
C6 S7 Ag9 115.4(3) . . ?
C6 S7 Ag11 117.5(4) . . ?
Ag6 S8 Ag7 92.14(9) . 3_665 ?
Ag6 S8 Ag27 71.00(19) . 3_665 ?
Ag17 S8 Ag6 89.32(9) 3_665 . ?
Ag17 S8 Ag7 104.76(11) 3_665 3_665 ?
Ag17 S8 Ag27 117.1(2) 3_665 3_665 ?
C131 S8 Ag6 112.7(4) . . ?
C131 S8 Ag7 135.4(3) . 3_665 ?
C131 S8 Ag17 111.6(3) . 3_665 ?
C131 S8 Ag27 131.3(4) . 3_665 ?
Ag2 S9 Ag4 120.98(10) . . ?
Ag2 S9 Ag11 89.51(8) . . ?
Ag2 S9 Ag15 67.93(6) . . ?
Ag2 S9 Ag24 120.65(10) . . ?
Ag4 S9 Ag15 61.95(6) . . ?
Ag11 S9 Ag4 140.41(11) . . ?
Ag11 S9 Ag15 156.51(9) . . ?
Ag11 S9 Ag24 79.33(7) . . ?
Ag21 S9 Ag2 100.59(10) . . ?
Ag21 S9 Ag4 68.79(7) . . ?
Ag21 S9 Ag11 82.08(9) . . ?
Ag21 S9 Ag15 107.62(9) . . ?
Ag21 S9 Ag24 134.14(11) . . ?
Ag21 S9 Ag25 68.89(9) . . ?
Ag24 S9 Ag4 101.85(9) . . ?
Ag24 S9 Ag15 105.97(10) . . ?
Ag25 S9 Ag2 161.83(14) . . ?
Ag25 S9 Ag4 70.20(7) . . ?
Ag25 S9 Ag11 74.67(9) . . ?
Ag25 S9 Ag15 128.62(11) . . ?
Ag25 S9 Ag24 65.87(7) . . ?
Ag11 S10 Ag5 99.79(10) . . ?
Ag17 S10 Ag5 96.66(9) . . ?
Ag17 S10 Ag11 125.05(11) . . ?
C54 S10 Ag5 115.7(3) . . ?
C54 S10 Ag11 110.0(3) . . ?
C54 S10 Ag17 108.9(3) . . ?
Ag2 S11 Ag8 130.25(10) . . ?
Ag23 S11 Ag2 73.05(7) . . ?
Ag23 S11 Ag8 76.36(8) . . ?
C7 S11 Ag2 111.6(4) . . ?
C7 S11 Ag8 111.0(4) . . ?
C7 S11 Ag23 98.5(3) . . ?
Ag8 S12 Ag7 126.47(10) 3_665 . ?
Ag8 S12 Ag28 143.28(19) 3_665 . ?
Ag22 S12 Ag7 77.26(8) . . ?
Ag22 S12 Ag8 128.19(11) . 3_665 ?
Ag27 S12 Ag28 78.5(3) . . ?
C132 S12 Ag7 102.7(4) . . ?
C132 S12 Ag8 102.5(4) . 3_665 ?
C132 S12 Ag22 117.1(4) . . ?
C132 S12 Ag27 112.4(4) . . ?
C132 S12 Ag28 112.2(4) . . ?
Ag18 S13 Ag16 91.36(9) . . ?
Ag18 S13 Ag19 110.64(14) . . ?
Ag19 S13 Ag16 134.22(11) . . ?
C10 S13 Ag16 104.7(4) . . ?
C10 S13 Ag18 103.3(4) . . ?
C10 S13 Ag19 108.2(4) . . ?
Ag14 S14 Ag10 94.49(9) . . ?
Ag14 S14 Ag20 111.30(11) . . ?
Ag20 S14 Ag10 106.42(10) . . ?
C125 S14 Ag10 106.2(3) . . ?
C125 S14 Ag14 108.9(4) . . ?
C125 S14 Ag20 124.9(3) . . ?
Ag3 S15 Ag11 112.62(10) . . ?
Ag14 S15 Ag3 105.08(10) . . ?
Ag14 S15 Ag11 79.27(8) . . ?
C28 S15 Ag3 109.4(4) . . ?
C28 S15 Ag11 132.3(5) . . ?
C28 S15 Ag14 110.5(4) . . ?
Ag5 S16 Ag4 119.54(10) 3_665 . ?
Ag6 S16 Ag4 116.89(9) . . ?
Ag6 S16 Ag5 98.13(9) . 3_665 ?
C5 S16 Ag4 109.9(3) . . ?
C5 S16 Ag5 103.2(3) . 3_665 ?
C5 S16 Ag6 107.7(3) . . ?
Ag9 S17 Ag5 107.09(10) . . ?
Ag16 S17 Ag5 88.49(8) 3_665 . ?
Ag16 S17 Ag9 123.36(13) 3_665 . ?
C33 S17 Ag5 113.9(3) . . ?
C33 S17 Ag9 108.3(4) . . ?
C33 S17 Ag16 114.0(4) . 3_665 ?
Ag12 S18 Ag13 118.15(13) . . ?
Ag12 S18 Ag16 69.09(9) . . ?
Ag12 S18 Ag17 71.84(8) . . ?
Ag12 S18 Ag20 71.66(8) . . ?
Ag13 S18 Ag16 73.24(9) . . ?
Ag13 S18 Ag17 138.13(13) . . ?
Ag13 S18 Ag20 76.21(8) . . ?
Ag17 S18 Ag16 139.25(11) . . ?
Ag20 S18 Ag16 108.35(11) . . ?
Ag20 S18 Ag17 68.82(8) . . ?
Ag25 S18 Ag12 107.65(12) . . ?
Ag25 S18 Ag13 116.70(12) . . ?
Ag25 S18 Ag16 86.03(11) . . ?
Ag25 S18 Ag17 95.12(11) . . ?
Ag25 S18 Ag20 163.53(16) . . ?
Ag26 S18 Ag12 70.64(9) . . ?
Ag26 S18 Ag13 142.60(15) . . ?
Ag26 S18 Ag16 77.63(10) . . ?
Ag26 S18 Ag17 79.02(9) . . ?
Ag26 S18 Ag20 136.28(12) . . ?
Ag7 S19 Ag19 136.74(16) . . ?
Ag19 S19 Ag28 108.75(19) . . ?
Ag20 S19 Ag7 79.08(8) . . ?
Ag20 S19 Ag19 83.39(10) . . ?
Ag20 S19 Ag28 130.06(16) . . ?
C16 S19 Ag7 110.2(5) . . ?
C16 S19 Ag19 111.7(5) . . ?
C16 S19 Ag20 100.1(4) . . ?
C16 S19 Ag28 117.7(4) . . ?
Ag13 S20 Ag10 76.58(8) . . ?
Ag13 S20 Ag19 90.76(9) . . ?
Ag19 S20 Ag10 142.61(14) . . ?
C20 S20 Ag10 116.0(4) . . ?
C20 S20 Ag13 106.2(5) . . ?
C20 S20 Ag19 101.3(4) . . ?
Ag8 S21 Ag6 126.94(12) . . ?
Ag15 S21 Ag6 89.85(9) . . ?
Ag15 S21 Ag8 110.54(12) . . ?
C34 S21 Ag6 107.8(3) . . ?
C34 S21 Ag8 110.1(4) . . ?
C34 S21 Ag15 109.2(4) . . ?
Ag5 S22 Ag5 156.6(2) 3_665 . ?
Ag5 S22 Ag25 92.48(17) 3_665 . ?
Ag5 S22 Ag25 101.52(17) . . ?
Ag24 S22 Ag5 83.48(13) . . ?
Ag24 S22 Ag5 86.51(16) . 3_665 ?
Ag24 S22 Ag5 91.02(17) 3_665 . ?
Ag24 S22 Ag5 89.53(16) 3_665 3_665 ?
Ag24 S22 Ag24 155.8(2) 3_665 . ?
Ag24 S22 Ag25 141.3(2) 3_665 . ?
Ag24 S22 Ag25 62.82(12) . . ?
S22 S22 Ag5 80.4(6) 3_665 3_665 ?
S22 S22 Ag5 76.2(5) 3_665 . ?
S22 S22 Ag24 64.4(5) 3_665 . ?
S22 S22 Ag24 91.4(5) 3_665 3_665 ?
S22 S22 Ag25 127.1(6) 3_665 . ?
C1 P1 Ag1 114.0(4) . . ?
C1 P1 C97 105.5(5) . . ?
C1 P1 C182 105.8(5) . . ?
C97 P1 Ag1 114.8(3) . . ?
C97 P1 C182 100.5(5) . . ?
C182 P1 Ag1 114.9(4) . . ?
C39 P2 Ag10 119.6(4) . . ?
C46 P2 Ag10 115.3(4) . . ?
C46 P2 C39 101.3(5) . . ?
C46 P2 C98 106.2(7) . . ?
C98 P2 Ag10 110.8(6) . . ?
C98 P2 C39 101.9(5) . . ?
C12 P3 Ag22 109.7(4) . . ?
C12 P3 Ag28 133.2(4) . . ?
C12 P3 C103 103.9(5) . . ?
C103 P3 Ag22 117.1(3) . . ?
C103 P3 Ag28 100.3(4) . . ?
C133 P3 Ag22 114.5(5) . . ?
C133 P3 Ag28 107.2(4) . . ?
C133 P3 C12 103.0(6) . . ?
C133 P3 C103 107.2(7) . . ?
C11 P4 Ag3 113.7(4) . . ?
C93 P4 Ag3 120.2(5) . . ?
C93 P4 C11 104.6(7) . . ?
C93 P4 C104 105.4(6) . . ?
C104 P4 Ag3 108.3(4) . . ?
C104 P4 C11 102.9(6) . . ?
C4 P5 Ag8 120.0(3) . . ?
C49 P5 Ag8 106.7(4) . . ?
C49 P5 C4 105.3(6) . . ?
C122 P5 Ag8 116.6(5) . . ?
C122 P5 C4 102.1(7) . . ?
C122 P5 C49 104.7(6) . . ?
C48 P6 Ag19 108.4(4) . . ?
C48 P6 C115 100.4(7) . . ?
C60 P6 Ag19 123.1(6) . . ?
C60 P6 C48 104.6(7) . . ?
C60 P6 C115 105.6(8) . . ?
C115 P6 Ag19 112.1(5) . . ?
C190 N1 C207 127(2) . . ?
C195 N1 C190 119(2) . . ?
C195 N1 C207 114(2) . . ?
C193 N3 C189 127(2) . . ?
C193 N3 C195 122.8(19) . . ?
C195 N3 C189 110.3(19) . . ?
C201 N7 C202 115(2) . . ?
C203 N7 C201 137(3) . . ?
C203 N7 C202 108(2) . . ?
C203 N8 C204 114(3) . . ?
C203 N8 C205 118(2) . . ?
C205 N8 C204 128(3) . . ?
C26 C1 P1 118.9(8) . . ?
C26 C1 C47 119.6(11) . . ?
C47 C1 P1 121.5(10) . . ?
C8 C2 S2 122.4(8) . . ?
C8 C2 C18 118.7(9) . . ?
C18 C2 S2 118.7(8) . . ?
C45 C3 S4 121.4(8) . . ?
C153 C3 S4 119.2(9) . . ?
C153 C3 C45 119.4(10) . . ?
C85 C4 P5 123.6(10) . . ?
C85 C4 C112 118.6(13) . . ?
C112 C4 P5 117.8(10) . . ?
C17 C5 S16 119.3(8) . . ?
C19 C5 S16 122.0(8) . . ?
C19 C5 C17 118.8(10) . . ?
C57 C6 S7 122.8(10) . . ?
C57 C6 C130 117.7(11) . . ?
C130 C6 S7 119.4(8) . . ?
C30 C7 S11 120.9(11) . . ?
C30 C7 C75 117.7(11) . . ?
C75 C7 S11 121.3(8) . . ?
C2 C8 C89 119.6(10) . . ?
C19 C9 C96 117.8(11) . . ?
C50 C10 S13 120.5(9) . . ?
C50 C10 C102 121.0(13) . . ?
C102 C10 S13 118.4(12) . . ?
C37 C11 P4 116.6(9) . . ?
C56 C11 P4 125.7(11) . . ?
C56 C11 C37 117.7(14) . . ?
C53 C12 P3 122.6(10) . . ?
C53 C12 C107 117.4(13) . . ?
C107 C12 P3 120.0(10) . . ?
C18 C13 C14 117.2(10) . . ?
F2 C14 C13 118.3(10) . . ?
C89 C14 F2 119.0(11) . . ?
C89 C14 C13 122.6(10) . . ?
C24 C15 S6 120.5(8) . . ?
C55 C15 S6 122.0(8) . . ?
C55 C15 C24 117.5(10) . . ?
C62 C16 S19 123.4(11) . . ?
C62 C16 C76 113.8(17) . . ?
C76 C16 S19 122.8(15) . . ?
C5 C17 C21 117.7(10) . . ?
C13 C18 C2 121.8(10) . . ?
C9 C19 C5 123.8(10) . . ?
C78 C20 S20 120.4(14) . . ?
C84 C20 S20 122.7(10) . . ?
C84 C20 C78 116.9(15) . . ?
C96 C21 C17 120.6(10) . . ?
C24 C22 C25 118.8(11) . . ?
C31 C23 C54 119.7(11) . . ?
C22 C24 C15 121.4(10) . . ?
F1 C25 C22 118.4(11) . . ?
F1 C25 C92 118.8(11) . . ?
C92 C25 C22 122.8(11) . . ?
C1 C26 C141 120.8(11) . . ?
C49 C27 C97 112.7(9) . . ?
C32 C28 S15 123.3(10) . . ?
C160 C28 S15 119.0(11) . . ?
C160 C28 C32 117.6(13) . . ?
C46 C29 C86 122.4(12) . . ?
C155 C30 C7 122.4(14) . . ?
C63 C31 C23 120.0(12) . . ?
C114 C32 C28 122.2(12) . . ?
C35 C33 S17 122.8(10) . . ?
C35 C33 C90 117.8(12) . . ?
C90 C33 S17 119.4(8) . . ?
C51 C34 S21 120.3(10) . . ?
C51 C34 C52 116.5(12) . . ?
C52 C34 S21 123.1(9) . . ?
C33 C35 C156 120.7(13) . . ?
C58 C36 F4 117.4(14) . . ?
C59 C36 F4 118.3(17) . . ?
C59 C36 C58 124.2(14) . . ?
C123 C37 C11 120.6(12) . . ?
C48 C38 C103 113.3(11) . . ?
C40 C39 P2 123.3(6) . . ?
C40 C39 C44 120.0 . . ?
C44 C39 P2 116.6(6) . . ?
C39 C40 C41 120.0 . . ?
C40 C41 C42 120.0 . . ?
C41 C42 C43 120.0 . . ?
C44 C43 C42 120.0 . . ?
C43 C44 C39 120.0 . . ?
C61 C45 C3 118.9(11) . . ?
C29 C46 P2 119.3(9) . . ?
C29 C46 C83 116.9(13) . . ?
C83 C46 P2 123.8(11) . . ?
C111 C47 C1 118.4(12) . . ?
C38 C48 P6 114.6(10) . . ?
C27 C49 P5 114.2(7) . . ?
C10 C50 C59 120.5(12) . . ?
C157 C51 C34 122.7(12) . . ?
C80 C52 C34 122.9(11) . . ?
C163 C53 C12 118.0(13) . . ?
C23 C54 S10 119.8(9) . . ?
C152 C54 S10 121.1(8) . . ?
C152 C54 C23 119.1(11) . . ?
C15 C55 C92 121.1(11) . . ?
C162 C56 C11 121.7(15) . . ?
C6 C57 C146 122.9(13) . . ?
C36 C58 C102 114.9(14) . . ?
C36 C59 C50 117.8(15) . . ?
C79 C60 P6 126.4(14) . . ?
C79 C60 C108 121.6(17) . . ?
C108 C60 P6 109.3(13) . . ?
C161 C61 C45 120.0(12) . . ?
C109 C62 C16 123.8(14) . . ?
F3 C63 C113 118.2(11) . . ?
C31 C63 F3 119.3(12) . . ?
C31 C63 C113 122.5(11) . . ?
C101 C64 C131 121.9(10) . . ?
C66 C65 C93 121.3(12) . . ?
C145 C66 C65 118.0(14) . . ?
C81 C67 F10 116.7(14) . . ?
C81 C67 C146 123.4(12) . . ?
C146 C67 F10 119.9(12) . . ?
C101 C68 F14 117.5(13) . . ?
C101 C68 C151 121.7(13) . . ?
C151 C68 F14 120.8(12) . . ?
C151 C69 C131 121.8(12) . . ?
C133 C70 C72 119.8(13) . . ?
C121 C71 C75 118.9(13) . . ?
C150 C72 C70 122.3(15) . . ?
C74 C73 F6 117.5(13) . . ?
C74 C73 C156 124.6(14) . . ?
C156 C73 F6 117.9(13) . . ?
C73 C74 C90 116.7(12) . . ?
C7 C75 C71 119.9(10) . . ?
C144 C76 C16 122.2(18) . . ?
C105 C77 C95 118.8(14) . . ?
C20 C78 C91 123.1(18) . . ?
C148 C79 C60 122.5(16) . . ?
C52 C80 C140 117.2(13) . . ?
C67 C81 C130 118.1(14) . . ?
C141 C82 C111 120.0(12) . . ?
C100 C83 C46 121.1(15) . . ?
C149 C84 C20 121.3(17) . . ?
C4 C85 C164 119.7(13) . . ?
C110 C86 C29 117.4(16) . . ?
C132 C87 C106 119.8(12) . . ?
C112 C88 C94 121.4(13) . . ?
C14 C89 C8 119.9(11) . . ?
C33 C90 C74 121.8(11) . . ?
C154 C91 C78 116.0(16) . . ?
C25 C92 C55 118.5(12) . . ?
C65 C93 P4 118.4(10) . . ?
C186 C93 P4 122.0(11) . . ?
C186 C93 C65 119.5(12) . . ?
C164 C94 C88 118.3(16) . . ?
C77 C95 C132 120.4(12) . . ?
F5 C96 C9 119.0(11) . . ?
C21 C96 F5 119.5(10) . . ?
C21 C96 C9 121.4(11) . . ?
C27 C97 P1 115.7(8) . . ?
C175 C98 P2 113.0(9) . . ?
F8 C99 C109 115.4(17) . . ?
C144 C99 F8 120.8(15) . . ?
C144 C99 C109 123.8(18) . . ?
C83 C100 C110 121.4(15) . . ?
C68 C101 C64 117.4(12) . . ?
C10 C102 C58 121.3(16) . . ?
C38 C103 P3 115.2(9) . . ?
C175 C104 P4 113.1(10) . . ?
F11 C105 C77 118.1(15) . . ?
C106 C105 F11 118.9(15) . . ?
C106 C105 C77 122.6(12) . . ?
C105 C106 C87 119.2(13) . . ?
C167 C107 C12 119.5(14) . . ?
C168 C108 C60 111(2) . . ?
C62 C109 C99 115.6(17) . . ?
C100 C110 C86 120.7(17) . . ?
C82 C111 C47 120.8(11) . . ?
C88 C112 C4 120.5(13) . . ?
C63 C113 C152 116.9(11) . . ?
C159 C114 C32 118.9(15) . . ?
C116 C115 P6 116.8(8) . . ?
C116 C115 C120 120.0 . . ?
C120 C115 P6 123.1(8) . . ?
C117 C116 C115 120.0 . . ?
C116 C117 C118 120.0 . . ?
C119 C118 C117 120.0 . . ?
C118 C119 C120 120.0 . . ?
C119 C120 C115 120.0 . . ?
F9 C121 C155 119.1(12) . . ?
C71 C121 F9 118.7(15) . . ?
C71 C121 C155 122.2(13) . . ?
C147 C122 P5 119.9(12) . . ?
C147 C122 C183 115.5(16) . . ?
C183 C122 P5 124.1(14) . . ?
C37 C123 C176 122.9(16) . . ?
C125 C124 C129 120.0 . . ?
C124 C125 S14 120.5(6) . . ?
C126 C125 S14 119.5(6) . . ?
C126 C125 C124 120.0 . . ?
C125 C126 C127 120.0 . . ?
C126 C127 C128 120.0 . . ?
F17 C128 C127 116.5(11) . . ?
F17 C128 C129 123.5(11) . . ?
C127 C128 C129 120.0 . . ?
C128 C129 C124 120.0 . . ?
C6 C130 C81 120.1(11) . . ?
C64 C131 S8 121.2(8) . . ?
C69 C131 S8 121.0(9) . . ?
C69 C131 C64 117.8(11) . . ?
C87 C132 S12 123.3(10) . . ?
C95 C132 S12 117.7(8) . . ?
C95 C132 C87 119.0(11) . . ?
C70 C133 P3 120.0(10) . . ?
C70 C133 C165 118.4(13) . . ?
C165 C133 P3 121.6(11) . . ?
C135 C134 C139 120.0 . . ?
F18 C135 C134 121.2(11) . . ?
F18 C135 C136 118.8(11) . . ?
C134 C135 C136 120.0 . . ?
C137 C136 C135 120.0 . . ?
C136 C137 C138 120.0 . . ?
C137 C138 S5 119.9(5) . . ?
C139 C138 S5 120.1(5) . . ?
C139 C138 C137 120.0 . . ?
C138 C139 C134 120.0 . . ?
F7 C140 C80 117.8(13) . . ?
F7 C140 C157 119.5(13) . . ?
C157 C140 C80 122.7(14) . . ?
C82 C141 C26 120.4(13) . . ?
C153 C142 C161 118.7(12) . . ?
C167 C143 C163 118.6(15) . . ?
C99 C144 C76 120.8(15) . . ?
C66 C145 C185 121.6(15) . . ?
C67 C146 C57 117.7(10) . . ?
C122 C147 C158 123.1(18) . . ?
C196 C148 C79 113.2(17) . . ?
C84 C149 C154 116.4(19) . . ?
C72 C150 C184 117.7(15) . . ?
C69 C151 C68 119.2(11) . . ?
C54 C152 C113 121.7(11) . . ?
C142 C153 C3 120.0(12) . . ?
F16 C154 C149 111.2(18) . . ?
C91 C154 F16 122.5(16) . . ?
C91 C154 C149 126.3(17) . . ?
C30 C155 C121 118.9(12) . . ?
C73 C156 C35 118.3(14) . . ?
C140 C157 C51 117.9(12) . . ?
C187 C158 C147 118.6(18) . . ?
C114 C159 F12 118.7(17) . . ?
C114 C159 C166 125.8(18) . . ?
C166 C159 F12 115.3(18) . . ?
C28 C160 C166 117.0(15) . . ?
F15 C161 C142 117.7(12) . . ?
C61 C161 F15 119.2(14) . . ?
C61 C161 C142 123.1(12) . . ?
C56 C162 C176 123.5(16) . . ?
C143 C163 C53 122.3(14) . . ?
C94 C164 C85 121.5(15) . . ?
C184 C165 C133 120.1(15) . . ?
C159 C166 C160 114.3(18) . . ?
C143 C167 C107 124.0(16) . . ?
C108 C168 C196 128(2) . . ?
C170 C169 C174 120.0 . . ?
C171 C170 C169 120.0 . . ?
F13 C171 C170 114.2(9) . . ?
F13 C171 C172 125.8(9) . . ?
C172 C171 C170 120.0 . . ?
C171 C172 C173 120.0 . . ?
C174 C173 C172 120.0 . . ?
C169 C174 S1 121.2(6) . . ?
C173 C174 S1 118.8(6) . . ?
C173 C174 C169 120.0 . . ?
C98 C175 C104 110.3(14) . . ?
C123 C176 C162 113.6(17) . . ?
C178 C177 C182 120.0 . . ?
C177 C178 C179 120.0 . . ?
C178 C179 C180 120.0 . . ?
C181 C180 C179 120.0 . . ?
C180 C181 C182 120.0 . . ?
C177 C182 P1 122.4(7) . . ?
C181 C182 P1 117.3(7) . . ?
C181 C182 C177 120.0 . . ?
C122 C183 C198 121(2) . . ?
C165 C184 C150 121.2(15) . . ?
C145 C185 C186 121.6(18) . . ?
C93 C186 C185 117.8(16) . . ?
C198 C187 C158 122(2) . . ?
N3 C189 C190 105(2) . . ?
N1 C190 C189 103(2) . . ?
O2 C195 N1 131(2) . . ?
O2 C195 N3 125(2) . . ?
N1 C195 N3 103.5(17) . . ?
C148 C196 C168 122(2) . . ?
C187 C198 C183 118(2) . . ?
N7 C202 C205 107(2) . . ?
O4 C203 N7 118(3) . . ?
O4 C203 N8 135(3) . . ?
N8 C203 N7 107(2) . . ?
N8 C205 C202 99(2) . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.000 -0.894 0.000 1882.0 556.0 ?
2 0.157 0.589 0.449 50.2 13.4 ?
3 0.174 0.598 0.760 13.4 0.3 ?
4 0.176 0.639 0.252 11.4 0.2 ?
5 0.343 0.089 0.051 50.2 10.1 ?
6 0.324 0.139 0.248 11.4 0.0 ?
7 0.500 -0.214 0.500 1882.0 556.0 ?
8 0.326 0.098 0.740 13.4 0.5 ?
9 0.657 0.911 0.949 50.2 14.6 ?
10 0.676 0.861 0.752 11.4 0.3 ?
11 0.674 0.902 0.260 13.4 0.0 ?
12 0.843 0.411 0.551 50.2 11.3 ?
13 0.824 0.361 0.748 11.4 0.0 ?
14 0.826 0.402 0.240 13.4 0.5 ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 3.116
_oxdiff_exptl_absorpt_empirical_full_min 0.577
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_20190823d5_2_150_00-1
_database_code_depnum_ccdc_archive 'CCDC 1992658'
loop_
_audit_author_name
_audit_author_address
'Hai-Yang Li'
;Zhengzhou university
China
;
_audit_update_record             
;
2020-05-02 deposited with the CCDC.	2021-01-27 downloaded from the CCDC.
;
_audit_creation_date             2020-04-08
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C378 H300 Ag50 F36 P12 S43, 4(C5 H10 N2 O)'
_chemical_formula_sum            'C398 H340 Ag50 F36 N8 O4 P12 S43'
_chemical_formula_weight         13126.48
_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'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   30.0586(2)
_cell_length_b                   24.3044(2)
_cell_length_c                   33.3509(2)
_cell_angle_alpha                90
_cell_angle_beta                 95.3490(10)
_cell_angle_gamma                90
_cell_volume                     24258.6(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    60760
_cell_measurement_temperature    150.00(10)
_cell_measurement_theta_max      73.8320
_cell_measurement_theta_min      2.6860
_shelx_estimated_absorpt_T_max   0.261
_shelx_estimated_absorpt_T_min   0.217
_exptl_absorpt_coefficient_mu    18.359
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.27161
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.27b (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.797
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             12716
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0483
_diffrn_reflns_av_unetI/netI     0.0452
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       35
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_number            141346
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        66.499
_diffrn_reflns_theta_max         66.499
_diffrn_reflns_theta_min         2.342
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      150.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -83.00 -56.00   0.25    0.25    --    0.00 -38.00-150.00  108
  2  ω    -12.00  41.00   0.25    0.25    --    0.00  82.00 120.00  212
  3  ω    -40.00  17.00   0.25    0.25    --    0.00 -38.00  30.00  228
  4  ω    -72.00 -47.00   0.25    0.25    --    0.00 -38.00  30.00  100
  5  ω    -89.00  12.00   0.25    0.25    --    0.00 -38.00 -60.00  404
  6  ω     67.00 115.00   0.25    2.00    --   95.20 -15.00 -30.00  192
  7  ω     11.00  48.00   0.25    2.00    --   95.20 -15.00 -30.00  148
  8  ω     65.00 104.00   0.25    2.00    --   95.20 -45.00 -30.00  156
  9  ω     68.00  99.00   0.25    2.00    --   95.20  77.00   0.00  124
 10  ω      6.00 115.00   0.25    2.00    --   95.20 -30.00 -30.00  436
 11  ω    128.00 178.00   0.25    2.00    --   95.20  77.00   0.00  200
 12  ω      7.00 127.00   0.25    2.00    --   95.20 -82.00 -60.00  480
 13  ω      7.00  54.00   0.25    2.00    --   95.20 -61.00-120.00  188
 14  ω     21.00  49.00   0.25    2.00    --   95.20 -45.00 -30.00  112
 15  ω     86.00 173.00   0.25    2.00    --   95.20  77.00 -60.00  348
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC12 (RINC): Kappa single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0182582000
_diffrn_orient_matrix_UB_12      0.0592396000
_diffrn_orient_matrix_UB_13      0.0009447000
_diffrn_orient_matrix_UB_21      0.0064313000
_diffrn_orient_matrix_UB_22      -0.0021547000
_diffrn_orient_matrix_UB_23      0.0463584000
_diffrn_orient_matrix_UB_31      0.0476851000
_diffrn_orient_matrix_UB_32      -0.0224302000
_diffrn_orient_matrix_UB_33      -0.0019480000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                34584
_reflns_number_total             42631
_reflns_odcompleteness_completeness 97.14
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     74.04
_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       'CrysAlisPro 1.171.39.27b (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.39.27b (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.39.27b (Rigaku OD, 2015)'
_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 (Sheldrick, 2015)'
_refine_diff_density_max         3.191
_refine_diff_density_min         -2.828
_refine_diff_density_rms         0.157
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2923
_refine_ls_number_reflns         42631
_refine_ls_number_restraints     812
_refine_ls_R_factor_all          0.0784
_refine_ls_R_factor_gt           0.0667
_refine_ls_restrained_S_all      1.057
_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)+(0.0915P)²+171.4847P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1780
_refine_ls_wR_factor_ref         0.1869
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All C(H,H,H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C89-C29 = C89-C2AA
 1.39 with sigma of 0.01
 C93-C90 = C93-C075 = C40-C075 = C80-C40 = C80-C67 = C90-C67
 1.39 with sigma of 0.01
 C71-C66 = C69-C66 = C69-C63 = C63-C4AA = C60-C4AA = C71-C60
 1.39 with sigma of 0.01
 C06O-C05T = C06X-C05T = C06X-C06R = C07B-C06R = C07O-C07B = C07O-C06O
 1.39 with sigma of 0.01
 C5AA-C067 = C5AA-C33 = C42-C33 = C42-C032
 1.39 with sigma of 0.01
 C0AA-C082 = C082-C04W = C0AA-C07F = C07F-C06U = C06U-C06L
 1.39 with sigma of 0.01
 C65-C64 = C65-C24 = C7AA-C04J = C8AA-C04J = C9AA-C8AA = C24-C1BA = C7AA-C70 =
 C64-C0BA = C9AA-C01X = C1BA-C01X = C0BA-C01X = C70-C01X
 1.39 with sigma of 0.01
 C39-C02O
 1.39 with sigma of 0.01
 N16-C19
 1.45 with sigma of 0.02
 N43-C76
 1.45 with sigma of 0.02
 N43-C2BA = N43-C12 = C56-C2BA = N16-C56 = N16-C12
 1.45 with sigma of 0.01
 O5-C12
 1.2 with sigma of 0.01
 C17-N4BA = C7-N4BA = C7-N1 = C3BA-N1 = C17-C3BA
 1.45 with sigma of 0.01
 O0AA-C7
 1.2 with sigma of 0.02
 N4BA-C4 = N1-C15
 1.45 with sigma of 0.01
3. Restrained planarity
 C40, C67, C075, C80, C90, C93
 with sigma of 0.1
 F17, C03K, C04O, C36, C58, C62, C74
 with sigma of 0.1
 C05C, C05L, C07M, C30, C54, C065
 with sigma of 0.1
 C05T, C06O, C06R, C06X, C07B, C07O
 with sigma of 0.1
 F19, C03K, C04O, C06Q, C06S, C07R, C084
 with sigma of 0.1
 C02O, C5, C23, C27, C35, C39
 with sigma of 0.1
4. Rigid bond restraints
 F16, C076
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C5AA, C067
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
5. Uiso/Uaniso restraints and constraints
P6 \\sim C4AA \\sim C60 \\sim C63 \\sim C66 \\sim C69 \\sim C71: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.01
P1 \\sim C0AA \\sim C04W \\sim C06L \\sim C06U \\sim C07F \\sim C082: within 2A
with sigma of 0.01 and sigma for terminal atoms of 0.01
C2BA \\sim O5 \\sim C12 \\sim N16 \\sim N43 \\sim C56 \\sim C76 \\sim C19:
within 2A with sigma of 0.01 and sigma for terminal atoms of 0.01
O0AA \\sim N1 \\sim C3BA \\sim C7 \\sim C15 \\sim C17 \\sim N4BA \\sim C4:
within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(Ag0A) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(Ag5A) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
Uanis(F19) \\sim Ueq, Uanis(F9) \\sim Ueq, Uanis(F14) \\sim Ueq: with sigma of
0.01 and sigma for terminal atoms of 0.02
Uanis(C78) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C5AA) \\sim Ueq, Uanis(C33) \\sim Ueq, Uanis(C42) \\sim Ueq, Uanis(F20)
\\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C076) \\sim Ueq, Uanis(C07K) \\sim Ueq, Uanis(C06F) \\sim Ueq,
Uanis(C05Z) \\sim Ueq, Uanis(F16) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C30) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(F19) \\sim Ueq, Uanis(C084) \\sim Ueq, Uanis(C06S) \\sim Ueq, Uanis(C06Q)
\\sim Ueq, Uanis(F17) \\sim Ueq: with sigma of 0.02 and sigma for terminal
atoms of 0.04
Uanis(C90) \\sim Ueq, Uanis(C065) \\sim Ueq, Uanis(C93) \\sim Ueq, Uanis(C05C)
\\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C71) \\sim Ueq, Uanis(C07O) \\sim Ueq, Uanis(C66) \\sim Ueq, Uanis(C69)
\\sim Ueq, Uanis(C06R) \\sim Ueq, Uanis(C07B) \\sim Ueq, Uanis(C60) \\sim Ueq,
Uanis(C4AA) \\sim Ueq, Uanis(C06X) \\sim Ueq, Uanis(C63) \\sim Ueq, Uanis(C06O)
\\sim Ueq, Uanis(C05T) \\sim Ueq: with sigma of 0.01 and sigma for terminal
atoms of 0.02
Uanis(C48) \\sim Ueq, Uanis(C27) \\sim Ueq, Uanis(C43) \\sim Ueq: with sigma of
0.01 and sigma for terminal atoms of 0.02
Uanis(C5) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C04O) \\sim Ueq, Uanis(C73) \\sim Ueq, Uanis(C03K) \\sim Ueq, Uanis(C78)
\\sim Ueq, Uanis(C62) \\sim Ueq, Uanis(C06Q) \\sim Ueq, Uanis(C36) \\sim Ueq,
Uanis(C084) \\sim Ueq, Uanis(C74) \\sim Ueq, Uanis(C07R) \\sim Ueq, Uanis(C06S)
\\sim Ueq, Uanis(C58) \\sim Ueq: with sigma of 0.01 and sigma for terminal
atoms of 0.02
Uanis(Ag3C) \\sim Ueq, Uanis(F9) \\sim Ueq, Uanis(F14) \\sim Ueq, Uanis(F15)
\\sim Ueq, Uanis(C03X) \\sim Ueq, Uanis(C05B) \\sim Ueq, Uanis(C05F) \\sim Ueq,
Uanis(C05K) \\sim Ueq, Uanis(C05N) \\sim Ueq, Uanis(C05R) \\sim Ueq,
Uanis(C05X) \\sim Ueq, Uanis(C06A) \\sim Ueq, Uanis(C06D) \\sim Ueq,
Uanis(C06N) \\sim Ueq, Uanis(C06Z) \\sim Ueq, Uanis(C062) \\sim Ueq,
Uanis(C063) \\sim Ueq, Uanis(C066) \\sim Ueq, Uanis(C068) \\sim Ueq,
Uanis(C077) \\sim Ueq, Uanis(C082) \\sim Ueq, Uanis(C0AA) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
Uanis(C24) \\sim Ueq, Uanis(C1BA) \\sim Ueq, Uanis(C65) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
Uanis(F21) \\sim Ueq, Uanis(F9) \\sim Ueq, Uanis(F14) \\sim Ueq, Uanis(F16)
\\sim Ueq, Uanis(C05J) \\sim Ueq, Uanis(C06K) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.02
Uanis(C067) \\sim Ueq, Uanis(C05I) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(F9) \\sim Ueq, Uanis(F14) \\sim Ueq, Uanis(F16) \\sim Ueq: with sigma of
0.005 and sigma for terminal atoms of 0.01
Uanis(C2BA) \\sim Ueq, Uanis(O5) \\sim Ueq, Uanis(C12) \\sim Ueq, Uanis(N16)
\\sim Ueq, Uanis(N43) \\sim Ueq, Uanis(C19) \\sim Ueq, Uanis(C56) \\sim Ueq,
Uanis(C76) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(N1) \\sim Ueq, Uanis(N4BA) \\sim Ueq, Uanis(C17) \\sim Ueq, Uanis(C3BA)
\\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(O0AA) \\sim Ueq, Uanis(N1) \\sim Ueq, Uanis(C3BA) \\sim Ueq, Uanis(C7)
\\sim Ueq, Uanis(C15) \\sim Ueq, Uanis(C17) \\sim Ueq, Uanis(N4BA) \\sim Ueq,
Uanis(C4) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(Ag4A) = Uanis(Ag4B)
Uanis(Ag35) = Uanis(Ag19)
6. Others
 Sof(Ag2B)=0.9*(1-FVAR(2))
 Sof(Ag2A)=0.9*FVAR(2)
 Sof(Ag1B)=1-FVAR(2)
 Sof(Ag1A)=FVAR(2)
 Sof(Ag1)=1-FVAR(3)
 Sof(Ag20)=FVAR(3)
 Sof(Ag3B)=0.9*(1-FVAR(5))
 Sof(Ag3A)=0.9*FVAR(5)
 Sof(Ag4B)=1-FVAR(5)
 Sof(Ag4A)=FVAR(5)
 Sof(Ag35)=1-FVAR(6)
 Sof(Ag19)=FVAR(6)
 Sof(Ag0A)=Sof(Ag5A)=1-FVAR(7)
 Sof(Ag7)=Sof(Ag23)=FVAR(7)
 Sof(F19)=Sof(C06Q)=Sof(H06Q)=Sof(C06S)=Sof(H06S)=Sof(C07R)=Sof(C73)=Sof(H73)=
 Sof(C78)=Sof(C084)=Sof(H084)=1-FVAR(8)
 Sof(F17)=Sof(C03K)=Sof(C04O)=Sof(H04O)=Sof(C36)=Sof(H36)=Sof(C58)=Sof(H58)=
 Sof(C62)=Sof(H62)=Sof(C74)=FVAR(8)
 Sof(C1AA)=Sof(H1AA)=Sof(C2AA)=Sof(H2AA)=Sof(C3AA)=Sof(H3AA)=Sof(C29)=Sof(H29)=
 Sof(C89)=Sof(H89)=1-FVAR(9)
 Sof(C06T)=Sof(H06T)=Sof(C06W)=Sof(H06W)=Sof(C07E)=Sof(H07E)=Sof(C07G)=
 Sof(H07G)=Sof(C059)=Sof(H059)=FVAR(9)
 Sof(P6)=Sof(C40)=Sof(H40)=Sof(H04V)=Sof(H04W)=Sof(C67)=Sof(C69)=Sof(H69)=
 Sof(C63)=Sof(H63)=Sof(C4AA)=Sof(C60)=Sof(H60)=Sof(C71)=Sof(H71)=Sof(C66)=
 Sof(H66)=Sof(C075)=Sof(H075)=Sof(C80)=Sof(H80)=Sof(C90)=Sof(H90)=Sof(C93)=
 Sof(H93)=1-FVAR(10)
 Sof(P7)=Sof(C05C)=Sof(H05C)=Sof(C05L)=Sof(C05T)=Sof(C06O)=Sof(H06O)=Sof(C06R)=
 Sof(H06R)=Sof(C06X)=Sof(H06X)=Sof(C07B)=Sof(H07B)=Sof(C07M)=Sof(H07M)=
 Sof(C07O)=Sof(H07O)=Sof(C30)=Sof(H30)=Sof(H04M)=Sof(H04U)=Sof(C54)=Sof(H54)=
 Sof(C065)=Sof(H065)=FVAR(10)
 Sof(F20)=Sof(C5AA)=Sof(H05E)=Sof(C33)=Sof(H33)=Sof(C42)=Sof(H42)=Sof(C067)=
 Sof(H067)=1-FVAR(11)
 Sof(F15)=Sof(H05I)=Sof(C06A)=Sof(H06A)=Sof(C06Y)=Sof(H06Y)=Sof(C077)=Sof(C95)=
 Sof(H95)=FVAR(11)
 Sof(C6AA)=Sof(H6AA)=Sof(C11)=Sof(H11)=Sof(C5BA)=Sof(H5BA)=Sof(C43)=Sof(H43)=
 Sof(C48)=Sof(H48)=1-FVAR(12)
 Sof(C5)=Sof(H5)=Sof(C23)=Sof(H23)=Sof(C27)=Sof(H27)=Sof(C35)=Sof(H35)=
 Sof(C39)=Sof(H39)=FVAR(12)
 Sof(F21)=Sof(C1BA)=Sof(H1BA)=Sof(C24)=Sof(H24)=Sof(C65)=Sof(C64)=Sof(H64)=
 Sof(C0BA)=Sof(H0BA)=1-FVAR(13)
 Sof(F11)=Sof(C04J)=Sof(C7AA)=Sof(H7AA)=Sof(C8AA)=Sof(H8AA)=Sof(C9AA)=
 Sof(H9AA)=Sof(C70)=Sof(H70)=FVAR(13)
 Fixed Sof: Ag2C(0.1) Ag3C(0.1) S15(0.5)
7.a Riding coordinates:
 C4(H4A,H4B,H4C), C15(H15A,H15B,H15C)
7.b Secondary CH2 refined with riding coordinates:
 C03G(H03A,H03E), C04H(H04B,H04E), C04M(H04H,H04J), C05E(H05A,H05D), C024(H02C,
 H02G), C031(H03G,H03K), C048(H04K,H04L), C049(H04V,H04W), C049(H04M,H04U),
 C056(H05L,H05O), C56(H56A,H56B), C2BA(H2BA,H2BB), C3BA(H3BA,H3BB), C17(H17A,
 H17B)
7.c Aromatic/amide H refined with riding coordinates:
 C0AA(H0AA), C1AA(H1AA), C1BA(H1BA), C24(H24), C64(H64), C0BA(H0BA),
 C02A(H02A), C2AA(H2AA), C02B(H02B), C02D(H02D), C02E(H02E), C02F(H02F),
 C02H(H02H), C02K(H02K), C02N(H02N), C02P(H02P), C02T(H02T), C02V(H02V),
 C02W(H02W), C02Y(H02Y), C3AA(H3AA), C03B(H03B), C03C(H03C), C03D(H03D),
 C03F(H03F), C03H(H03H), C03I(H03I), C03J(H03J), C03L(H03L), C03M(H03M),
 C03N(H03N), C03O(H03O), C03Q(H03Q), C03R(H03R), C03S(H03S), C03T(H03T),
 C03U(H03U), C03V(H03V), C03W(H03W), C03X(H03X), C03Y(H03Y), C04A(H04A),
 C04C(H04C), C04D(H04D), C04F(H04F), C04G(H04G), C04I(H04I), C04N(H04N),
 C04O(H04O), C04P(H04P), C04Q(H04Q), C04R(H04R), C04S(H04S), C04T(H04T),
 C04X(H04X), C04Y(H04Y), C04Z(H04Z), C5(H5), C05B(H05B), C05C(H05C), C05F(H05F),
  C05G(H05G), C05H(H05H), C05I(H05E), C05I(H05I), C05J(H05J), C05K(H05K),
 C05M(H05M), C05N(H05N), C05P(H05P), C05Q(H05Q), C05U(H05U), C05V(H05V),
 C05X(H05X), C05Z(H05Z), C06A(H06A), C6AA(H6AA), C06B(H06B), C06D(H06D),
 C06F(H06F), C06K(H06K), C06L(H06L), C06N(H06N), C06O(H06O), C06Q(H06Q),
 C06R(H06R), C06S(H06S), C06T(H06T), C06U(H06U), C06W(H06W), C06X(H06X),
 C06Y(H06Y), C06Z(H06Z), C7AA(H7AA), C07B(H07B), C07E(H07E), C07F(H07F),
 C07G(H07G), C07K(H07K), C07M(H07M), C07O(H07O), C8AA(H8AA), C9AA(H9AA),
 C11(H11), C5BA(H5BA), C23(H23), C023(H023), C27(H27), C028(H028), C29(H29),
 C30(H30), C030(H030), C033(H033), C33(H33), C35(H35), C036(H036), C36(H36),
 C037(H037), C39(H39), C40(H40), C040(H040), C041(H041), C042(H042), C42(H42),
 C43(H43), C044(H044), C045(H045), C047(H047), C48(H48), C050(H050), C051(H051),
  C052(H052), C053(H053), C054(H054), C54(H54), C057(H057), C058(H058),
 C58(H58), C059(H059), C060(H060), C061(H061), C062(H062), C62(H62), C063(H063),
  C064(H064), C065(H065), C066(H066), C067(H067), C068(H068), C69(H69),
 C63(H63), C60(H60), C71(H71), C66(H66), C70(H70), C73(H73), C075(H075),
 C80(H80), C082(H082), C084(H084), C89(H89), C90(H90), C93(H93), C95(H95)
7.d Fitted hexagon refined as free rotating group:
 C01X(C1BA,C24,C65,C64,C0BA), C69(C63,C4AA,C60,C71,C66)
7.e Idealised Me refined as rotating group:
 C19(H19A,H19B,H19C), C76(H76A,H76B,H76C)
;
_atom_sites_solution_hydrogens   mixed
_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
Ag0A Ag 0.4492(3) 0.6105(4) 0.6402(3) 0.052(2) Uani 0.088(2) 1 d . U P A 2
Ag1 Ag 0.52650(12) 0.55048(16) 0.75063(10) 0.0555(14) Uani 0.230(3) 1 d . . P A
2
Ag1A Ag 0.47180(3) 0.51348(3) 0.69086(2) 0.0440(3) Uani 0.823(2) 1 d . . P A 1
Ag1B Ag 0.48142(13) 0.46590(19) 0.68576(10) 0.0544(15) Uani 0.177(2) 1 d . . P
A 2
Ag2A Ag 0.44938(6) 0.60796(8) 0.50314(4) 0.0621(6) Uani 0.476(2) 1 d . . P A 1
Ag2B Ag 0.47503(5) 0.56186(7) 0.52494(4) 0.0503(5) Uani 0.424(2) 1 d . . P A 2
Ag2C Ag 0.5405(3) 0.4267(3) 0.5103(2) 0.0553(17) Uani 0.1 1 d . . P A 3
Ag3 Ag 0.61931(2) 0.33084(3) 0.62950(2) 0.04633(15) Uani 1 1 d . . . . .
Ag3A Ag 0.52782(4) 0.45335(5) 0.56110(3) 0.0742(4) Uani 0.783(2) 1 d . . P A 1
Ag3B Ag 0.45324(14) 0.58915(18) 0.40891(13) 0.0313(15) Uani 0.117(2) 1 d . . P
A 2
Ag3C Ag 0.4968(2) 0.5148(4) 0.5578(3) 0.078(2) Uani 0.1 1 d . U P A 3
Ag4 Ag 0.51758(2) 0.33984(3) 0.73232(2) 0.05456(18) Uani 1 1 d . . . . .
Ag4A Ag 0.39596(3) 0.69799(4) 0.48444(3) 0.0630(3) Uani 0.8658(15) 1 d . . P A
1
Ag4B Ag 0.41002(17) 0.6861(2) 0.5332(2) 0.0630(3) Uani 0.1342(15) 1 d . . P A 2
Ag5 Ag 0.34308(3) 0.74777(3) 0.60388(2) 0.05988(19) Uani 1 1 d . . . . .
Ag5A Ag 0.5333(4) 0.2603(6) 0.5182(3) 0.082(4) Uani 0.088(2) 1 d . U P A 2
Ag6 Ag 0.54906(2) 0.59327(3) 0.39298(2) 0.05804(18) Uani 1 1 d . . . . .
Ag7 Ag 0.48908(3) 0.70940(4) 0.47233(2) 0.0528(3) Uani 0.912(2) 1 d . . P A 1
Ag8 Ag 0.47426(3) 0.71402(3) 0.70376(2) 0.0685(2) Uani 1 1 d . . . . .
Ag9 Ag 0.33469(3) 0.62178(4) 0.54153(2) 0.0633(2) Uani 1 1 d . . . . .
Ag10 Ag 0.63705(3) 0.42657(3) 0.54779(2) 0.06177(19) Uani 1 1 d . . . . .
Ag11 Ag 0.29885(2) 0.74013(3) 0.46383(2) 0.04352(14) Uani 1 1 d . . . . .
Ag12 Ag 0.42912(3) 0.44118(3) 0.49496(2) 0.06201(19) Uani 1 1 d . . . . .
Ag13 Ag 0.59985(3) 0.50398(3) 0.62110(3) 0.06255(19) Uani 1 1 d . . . . .
Ag14 Ag 0.52135(3) 0.28685(4) 0.61550(2) 0.0659(2) Uani 1 1 d . . . . .
Ag15 Ag 0.53594(3) 0.65647(3) 0.57714(3) 0.0704(2) Uani 1 1 d . . . . .
Ag16 Ag 0.55693(3) 0.58739(3) 0.67700(3) 0.0677(2) Uani 1 1 d . . . . .
Ag17 Ag 0.60380(3) 0.46858(4) 0.41939(2) 0.0686(2) Uani 1 1 d . . . . .
Ag18 Ag 0.49085(3) 0.55505(3) 0.60789(3) 0.0702(2) Uani 1 1 d . . . . .
Ag19 Ag 0.44581(4) 0.72162(4) 0.59692(3) 0.0682(3) Uani 0.939(2) 1 d . . P A 1
Ag20 Ag 0.54200(3) 0.51486(5) 0.76713(3) 0.0506(4) Uani 0.770(3) 1 d . . P A 1
Ag22 Ag 0.57394(4) 0.41607(4) 0.67625(2) 0.0846(3) Uani 1 1 d . . . . .
Ag23 Ag 0.41915(5) 0.61299(4) 0.64575(2) 0.0722(4) Uani 0.912(2) 1 d . . P A 1
Ag25 Ag 0.60919(2) 0.19972(3) 0.63608(2) 0.04498(15) Uani 1 1 d . . . . .
Ag35 Ag 0.4738(7) 0.7128(6) 0.6106(5) 0.0682(3) Uani 0.061(2) 1 d . . P A 2
S1 S 0.66870(6) 0.25297(8) 0.60616(6) 0.0379(4) Uani 1 1 d . . . . .
S2 S 0.54660(6) 0.20808(8) 0.57852(6) 0.0398(4) Uani 1 1 d . . . . .
S3 S 0.35956(7) 0.76019(8) 0.52708(6) 0.0446(5) Uani 1 1 d . . . . .
S4 S 0.50138(7) 0.74030(9) 0.54415(6) 0.0447(5) Uani 1 1 d . . . . .
S5 S 0.63552(8) 0.49113(9) 0.48881(6) 0.0464(5) Uani 1 1 d . . . . .
S6 S 0.66001(7) 0.43307(9) 0.62279(6) 0.0459(5) Uani 1 1 d . . . . .
S7 S 0.55474(7) 0.64365(9) 0.45901(6) 0.0470(5) Uani 1 1 d . . . . .
S8 S 0.59932(8) 0.52621(9) 0.35864(6) 0.0496(5) Uani 1 1 d . . . . .
S9 S 0.34195(8) 0.64144(9) 0.61342(7) 0.0502(5) Uani 1 1 d . . . . .
S10 S 0.53579(9) 0.68118(11) 0.65996(7) 0.0614(7) Uani 1 1 d . . . . .
S11 S 0.44402(10) 0.62151(9) 0.57239(7) 0.0566(6) Uani 1 1 d . . . . .
S12 S 0.47410(9) 0.32730(10) 0.66195(6) 0.0557(6) Uani 1 1 d . . . . .
S13 S 0.51880(7) 0.47150(10) 0.63444(7) 0.0517(5) Uani 1 1 d . . . . .
S14 S 0.45158(11) 0.60842(11) 0.71577(7) 0.0685(8) Uani 1 1 d . . . . .
S15 S 0.49374(15) 0.51116(18) 0.51155(13) 0.0471(10) Uani 0.5 1 d . . P A 1
S16 S 0.59736(8) 0.32696(10) 0.70208(6) 0.0503(5) Uani 1 1 d . . . . .
S17 S 0.57240(8) 0.35843(9) 0.56356(7) 0.0526(6) Uani 1 1 d . . . . .
S18 S 0.49471(7) 0.43914(9) 0.74603(7) 0.0482(5) Uani 1 1 d . . . . .
S19 S 0.59807(8) 0.58936(9) 0.57931(7) 0.0523(5) Uani 1 1 d . . . . .
S20 S 0.29105(8) 0.63790(9) 0.47788(7) 0.0516(5) Uani 1 1 d . . . . .
S21 S 0.59730(8) 0.51526(10) 0.71282(6) 0.0498(5) Uani 1 1 d . . . . .
S22 S 0.41580(8) 0.76392(10) 0.65443(7) 0.0555(6) Uani 1 1 d . . . . .
P1 P 0.51670(9) 0.26706(10) 0.78323(7) 0.0539(6) Uani 1 1 d . U . . .
P2 P 0.56138(8) 0.57482(13) 0.82239(8) 0.0612(7) Uani 1 1 d . . . . .
P3 P 0.27806(8) 0.79814(11) 0.62241(6) 0.0496(5) Uani 1 1 d . . . . .
P4 P 0.60199(8) 0.13980(9) 0.69273(6) 0.0459(5) Uani 1 1 d . . . . .
P5 P 0.24203(8) 0.80872(11) 0.47431(6) 0.0491(5) Uani 1 1 d . . . . .
P6 P 0.5011(4) 0.7690(5) 0.7642(3) 0.047(2) Uani 0.396(12) 1 d . U P A 2
P7 P 0.4908(2) 0.7516(3) 0.77213(19) 0.0413(14) Uani 0.604(12) 1 d . . P A 1
F1 F 0.8368(2) 0.2870(3) 0.7087(2) 0.091(2) Uani 1 1 d . . . . .
F2 F 0.8440(2) 0.5051(3) 0.6735(2) 0.096(2) Uani 1 1 d . . . . .
F3 F 0.7245(2) 0.7669(3) 0.4746(2) 0.0830(19) Uani 1 1 d . . . . .
F4 F 0.7759(2) 0.6228(3) 0.3351(2) 0.094(2) Uani 1 1 d . . . . .
F5 F 0.7632(2) 0.5957(3) 0.8002(2) 0.098(2) Uani 1 1 d . . . . .
F6 F 0.8143(2) 0.5892(3) 0.4842(3) 0.100(2) Uani 1 1 d . . . . .
F7 F 0.7443(3) 0.3989(3) 0.8204(2) 0.101(2) Uani 1 1 d . . . . .
F8 F 0.3116(3) 0.1950(3) 0.6766(2) 0.095(2) Uani 1 1 d . . . . .
F9 F 0.7804(3) 0.6822(4) 0.5960(2) 0.105(3) Uani 1 1 d . U . . .
F10 F 0.4274(3) 0.9843(3) 0.5058(3) 0.103(3) Uani 1 1 d . . . . .
F11 F 0.4270(11) 0.0201(11) 0.5987(10) 0.083(7) Uani 0.516(18) 1 d . . P B 1
F12 F 0.2861(4) 0.5953(4) 0.7984(3) 0.124(3) Uani 1 1 d . . . . .
F13 F 0.6979(3) 0.8120(4) 0.7054(3) 0.122(3) Uani 1 1 d . . . . .
F14 F 0.4875(4) 0.9899(4) 0.6696(3) 0.138(3) Uani 1 1 d . U . . .
F15 F 0.1676(5) 0.5738(7) 0.6732(5) 0.099(5) Uani 0.60(2) 1 d . U P C 1
F16 F 0.1011(4) 0.5830(6) 0.4870(5) 0.172(4) Uani 1 1 d . U . . .
F17 F 0.5929(6) 0.9469(7) 0.5801(5) 0.098(7) Uani 0.433(17) 1 d . U P A 1
F18 F 0.3265(3) 0.4097(5) 0.8200(3) 0.139(4) Uani 1 1 d . . . . .
F19 F 0.6192(7) 0.9377(7) 0.5480(6) 0.152(9) Uani 0.567(17) 1 d . U P A 2
F20 F 0.1838(7) 0.6108(12) 0.6937(7) 0.099(8) Uani 0.40(2) 1 d . U P C 2
F21 F 0.4158(12) 0.0346(14) 0.6047(12) 0.102(10) Uani 0.484(18) 1 d . U P B 2
C0AA C 0.6066(7) 0.2622(8) 0.8846(5) 0.140(4) Uani 1 1 d D U . . .
H0AA H 0.632980 0.244202 0.893533 0.168 Uiso 1 1 calc R . . . .
C1AA C 0.2288(8) 0.7880(10) 0.6875(6) 0.054(6) Uani 0.418(13) 1 d . . P D 2
H1AA H 0.203784 0.787881 0.668873 0.065 Uiso 0.418(13) 1 calc R . P D 2
C01W C 0.6056(3) 0.6809(3) 0.4633(2) 0.0412(18) Uani 1 1 d . . . . .
C01X C 0.5090(2) 0.1542(3) 0.5867(2) 0.046(2) Uani 1 1 d D . . . .
C1BA C 0.4764(4) 0.1638(4) 0.6128(4) 0.059(6) Uani 0.484(18) 1 d DG U P B 2
H1BA H 0.475864 0.197108 0.626510 0.071 Uiso 0.484(18) 1 calc R . P B 2
C24 C 0.4446(5) 0.1237(7) 0.6183(6) 0.078(7) Uani 0.484(18) 1 d DG U P B 2
H24 H 0.422760 0.130174 0.635791 0.093 Uiso 0.484(18) 1 calc R . P B 2
C65 C 0.4454(5) 0.0740(6) 0.5978(6) 0.061(9) Uani 0.484(18) 1 d DG U P B 2
C64 C 0.4780(6) 0.0644(4) 0.5717(5) 0.058(6) Uani 0.484(18) 1 d DG . P B 2
H64 H 0.478568 0.031152 0.558007 0.070 Uiso 0.484(18) 1 calc R . P B 2
C0BA C 0.5098(4) 0.1045(4) 0.5662(3) 0.052(5) Uani 0.484(18) 1 d DG . P B 2
H0BA H 0.531672 0.098086 0.548725 0.063 Uiso 0.484(18) 1 calc R . P B 2
C02A C 0.6453(3) 0.6561(4) 0.4555(3) 0.052(2) Uani 1 1 d . . . . .
H02A H 0.645070 0.619126 0.448231 0.062 Uiso 1 1 calc R . . . .
C2AA C 0.2230(11) 0.7820(17) 0.7273(11) 0.090(11) Uani 0.418(13) 1 d D . P D 2
H2AA H 0.194189 0.779430 0.735131 0.108 Uiso 0.418(13) 1 calc R . P D 2
C02B C 0.6064(3) 0.7355(4) 0.4751(3) 0.047(2) Uani 1 1 d . . . . .
H02B H 0.579937 0.752657 0.480435 0.056 Uiso 1 1 calc R . . . .
C02C C 0.4269(3) 0.2842(4) 0.6659(3) 0.054(2) Uani 1 1 d . . . . .
C02D C 0.7415(3) 0.3121(4) 0.6368(3) 0.047(2) Uani 1 1 d . . . . .
H02D H 0.730018 0.339616 0.619431 0.057 Uiso 1 1 calc R . . . .
C02E C 0.6850(3) 0.5970(4) 0.6116(3) 0.048(2) Uani 1 1 d . . . . .
H02E H 0.678513 0.566466 0.626829 0.058 Uiso 1 1 calc R . . . .
C02F C 0.6649(3) 0.2036(4) 0.7372(3) 0.053(2) Uani 1 1 d . . . . .
H02F H 0.664098 0.224611 0.713835 0.063 Uiso 1 1 calc R . . . .
C02G C 0.2654(4) 0.7936(5) 0.6753(3) 0.060(3) Uani 1 1 d . . . . .
C02H C 0.1776(3) 0.7762(4) 0.4137(3) 0.051(2) Uani 1 1 d . . . . .
H02H H 0.202026 0.769995 0.399067 0.061 Uiso 1 1 calc R . . . .
C02I C 0.7972(3) 0.2793(5) 0.6858(3) 0.063(3) Uani 1 1 d . . . . .
C02K C 0.7477(3) 0.4561(4) 0.6109(3) 0.052(2) Uani 1 1 d . . . . .
H02K H 0.740259 0.444643 0.584572 0.063 Uiso 1 1 calc R . . . .
C02M C 0.8010(4) 0.4895(4) 0.6621(4) 0.069(3) Uani 1 1 d . . . . .
C02N C 0.7137(3) 0.5369(4) 0.5224(3) 0.053(2) Uani 1 1 d . . . . .
H02N H 0.701903 0.532101 0.547020 0.063 Uiso 1 1 calc R . . . .
C02O C 0.6138(3) 0.0673(4) 0.6821(3) 0.054(2) Uani 1 1 d D . . . .
C02P C 0.7364(3) 0.2211(4) 0.6639(3) 0.0458(19) Uani 1 1 d . . . . .
H02P H 0.721905 0.187350 0.665018 0.055 Uiso 1 1 calc R . . . .
C02Q C 0.6524(3) 0.5549(4) 0.3506(2) 0.046(2) Uani 1 1 d . . . . .
C02R C 0.2784(3) 0.8713(4) 0.6128(2) 0.051(2) Uani 1 1 d . . . . .
C02S C 0.6416(4) 0.3493(4) 0.7369(2) 0.053(2) Uani 1 1 d . . . . .
C02T C 0.7761(3) 0.2307(5) 0.6877(3) 0.057(2) Uani 1 1 d . . . . .
H02T H 0.788091 0.203464 0.704987 0.068 Uiso 1 1 calc R . . . .
C02U C 0.6464(3) 0.5411(4) 0.7389(2) 0.0447(19) Uani 1 1 d . . . . .
C02V C 0.7817(3) 0.3218(4) 0.6607(3) 0.054(2) Uani 1 1 d . . . . .
H02V H 0.796930 0.354988 0.659798 0.065 Uiso 1 1 calc R . . . .
C02W C 0.7068(3) 0.5294(4) 0.4505(3) 0.055(2) Uani 1 1 d . . . . .
H02W H 0.690524 0.518897 0.426629 0.066 Uiso 1 1 calc R . . . .
C02X C 0.5853(3) 0.7210(4) 0.6735(3) 0.057(3) Uani 1 1 d . . . . .
C02Y C 0.2209(4) 0.5779(4) 0.5043(3) 0.059(2) Uani 1 1 d . . . . .
H02Y H 0.242733 0.557134 0.518950 0.071 Uiso 1 1 calc R . . . .
C02Z C 0.2342(4) 0.6216(4) 0.4814(3) 0.057(2) Uani 1 1 d . . . . .
C03A C 0.4023(5) 0.6040(5) 0.7405(3) 0.074(4) Uani 1 1 d . . . . .
C3AA C 0.3081(8) 0.7807(9) 0.7027(7) 0.054(6) Uani 0.418(13) 1 d . . P D 2
H3AA H 0.335585 0.773502 0.693071 0.065 Uiso 0.418(13) 1 calc R . P D 2
C03B C 0.4418(4) 0.4434(4) 0.8103(3) 0.064(3) Uani 1 1 d . . . . .
H03B H 0.466383 0.457498 0.825954 0.077 Uiso 1 1 calc R . . . .
C03C C 0.3176(3) 0.8955(4) 0.6031(3) 0.056(2) Uani 1 1 d . . . . .
H03C H 0.343205 0.874150 0.602993 0.067 Uiso 1 1 calc R . . . .
C03D C 0.6692(4) 0.5853(4) 0.7248(3) 0.061(3) Uani 1 1 d . . . . .
H03D H 0.657876 0.602942 0.701339 0.074 Uiso 1 1 calc R . . . .
C03E C 0.7728(3) 0.5666(5) 0.4858(4) 0.066(3) Uani 1 1 d . . . . .
C03F C 0.7694(4) 0.4914(4) 0.6890(3) 0.066(3) Uani 1 1 d . . . . .
H03F H 0.776981 0.503163 0.715285 0.080 Uiso 1 1 calc R . . . .
C03G C 0.5450(3) 0.2077(4) 0.7642(3) 0.052(2) Uani 1 1 d . . . . .
H03A H 0.576416 0.216244 0.763602 0.063 Uiso 1 1 calc R . . . .
H03E H 0.542684 0.177088 0.782619 0.063 Uiso 1 1 calc R . . . .
C03H C 0.6398(3) 0.1265(4) 0.7732(3) 0.057(2) Uani 1 1 d . . . . .
H03H H 0.622182 0.095085 0.774210 0.069 Uiso 1 1 calc R . . . .
C03I C 0.6850(3) 0.3588(4) 0.7254(3) 0.055(2) Uani 1 1 d . . . . .
H03I H 0.690530 0.354551 0.698613 0.066 Uiso 1 1 calc R . . . .
C03J C 0.6941(4) 0.1900(5) 0.8052(3) 0.069(3) Uani 1 1 d . . . . .
H03J H 0.712817 0.200550 0.827664 0.083 Uiso 1 1 calc R . . . .
C03K C 0.5296(8) 0.7968(11) 0.5528(7) 0.032(6) Uani 0.433(17) 1 d . U P A 1
C03L C 0.3852(4) 0.9094(5) 0.4789(3) 0.064(3) Uani 1 1 d . . . . .
H03L H 0.377138 0.928786 0.455291 0.077 Uiso 1 1 calc R . . . .
C03M C 0.4075(3) 0.4101(4) 0.7476(3) 0.054(2) Uani 1 1 d . . . . .
H03M H 0.409290 0.401723 0.720541 0.065 Uiso 1 1 calc R . . . .
C03N C 0.7001(3) 0.6336(4) 0.3493(3) 0.058(2) Uani 1 1 d . . . . .
H03N H 0.704565 0.671332 0.352112 0.069 Uiso 1 1 calc R . . . .
C03O C 0.7283(4) 0.6191(4) 0.6158(3) 0.061(3) Uani 1 1 d . . . . .
H03O H 0.750291 0.603631 0.633868 0.073 Uiso 1 1 calc R . . . .
C03P C 0.7249(4) 0.5777(5) 0.7793(3) 0.064(3) Uani 1 1 d . . . . .
C03Q C 0.6464(4) 0.7651(4) 0.4790(3) 0.056(2) Uani 1 1 d . . . . .
H03Q H 0.646956 0.801670 0.487357 0.068 Uiso 1 1 calc R . . . .
C03R C 0.4086(3) 0.8527(4) 0.5501(3) 0.054(2) Uani 1 1 d . . . . .
H03R H 0.415893 0.833994 0.574154 0.065 Uiso 1 1 calc R . . . .
C03S C 0.7912(4) 0.4711(4) 0.6226(3) 0.062(3) Uani 1 1 d . . . . .
H03S H 0.813159 0.469013 0.604770 0.074 Uiso 1 1 calc R . . . .
C03T C 0.6849(3) 0.6843(4) 0.4583(3) 0.057(2) Uani 1 1 d . . . . .
H03T H 0.711240 0.667250 0.452260 0.068 Uiso 1 1 calc R . . . .
C03U C 0.7267(4) 0.4760(4) 0.6767(3) 0.059(3) Uani 1 1 d . . . . .
H03U H 0.705005 0.477558 0.694817 0.071 Uiso 1 1 calc R . . . .
C03V C 0.4035(4) 0.2617(4) 0.6329(3) 0.058(2) Uani 1 1 d . . . . .
H03V H 0.413667 0.266765 0.607608 0.069 Uiso 1 1 calc R . . . .
C03W C 0.3644(4) 0.2312(5) 0.6363(3) 0.067(3) Uani 1 1 d . . . . .
H03W H 0.348380 0.216558 0.613590 0.080 Uiso 1 1 calc R . . . .
C03X C 0.4773(4) 0.8450(5) 0.6439(4) 0.079(3) Uani 1 1 d . U . . .
H03X H 0.494046 0.817831 0.632668 0.095 Uiso 1 1 calc R . . . .
C03Y C 0.7037(4) 0.5341(5) 0.7941(3) 0.068(3) Uani 1 1 d . . . . .
H03Y H 0.715322 0.517198 0.817854 0.081 Uiso 1 1 calc R . . . .
C03Z C 0.4121(4) 0.9325(4) 0.5100(4) 0.067(3) Uani 1 1 d . . . . .
C04A C 0.3196(5) 0.9518(5) 0.5934(4) 0.078(3) Uani 1 1 d . . . . .
H04A H 0.346277 0.967108 0.586804 0.094 Uiso 1 1 calc R . . . .
C04B C 0.4642(4) 0.2420(4) 0.7986(3) 0.062(3) Uani 1 1 d . . . . .
C04C C 0.4314(4) 0.2802(5) 0.8080(3) 0.066(3) Uani 1 1 d . . . . .
H04C H 0.437100 0.317658 0.805749 0.079 Uiso 1 1 calc R . . . .
C04D C 0.6351(5) 0.3554(5) 0.7779(3) 0.074(3) Uani 1 1 d . . . . .
H04D H 0.607096 0.348708 0.786662 0.089 Uiso 1 1 calc R . . . .
C04E C 0.7342(4) 0.6004(5) 0.3395(3) 0.065(3) Uani 1 1 d . . . . .
C04F C 0.6705(5) 0.3714(6) 0.8053(3) 0.084(4) Uani 1 1 d . . . . .
H04F H 0.666132 0.375391 0.832385 0.100 Uiso 1 1 calc R . . . .
C04G C 0.6258(4) 0.7023(5) 0.6657(3) 0.070(3) Uani 1 1 d . . . . .
H04G H 0.628115 0.668211 0.653358 0.084 Uiso 1 1 calc R . . . .
C04H C 0.2258(4) 0.7723(6) 0.5949(3) 0.074(3) Uani 1 1 d . . . . .
H04B H 0.217638 0.737654 0.606693 0.088 Uiso 1 1 calc R . . . .
H04E H 0.201889 0.798360 0.598025 0.088 Uiso 1 1 calc R . . . .
C04I C 0.4108(4) 0.2748(4) 0.7033(3) 0.062(3) Uani 1 1 d . . . . .
H04I H 0.426351 0.289519 0.726267 0.074 Uiso 1 1 calc R . . . .
C04J C 0.4555(6) 0.0628(7) 0.5948(9) 0.053(6) Uani 0.516(18) 1 d D . P B 1
C04K C 0.6847(3) 0.7393(4) 0.4703(3) 0.058(2) Uani 1 1 d . . . . .
C04L C 0.7373(4) 0.6621(5) 0.5938(3) 0.079(4) Uani 1 1 d . . . . .
C04M C 0.2389(3) 0.8167(5) 0.5281(2) 0.055(2) Uani 1 1 d . . . . .
H04H H 0.266752 0.832508 0.539876 0.066 Uiso 1 1 calc R . . . .
H04J H 0.215210 0.842560 0.532355 0.066 Uiso 1 1 calc R . . . .
C04N C 0.6623(5) 0.6664(5) 0.5635(3) 0.077(4) Uani 1 1 d . . . . .
H04N H 0.640371 0.683405 0.546303 0.092 Uiso 1 1 calc R . . . .
C04O C 0.5185(10) 0.8464(16) 0.5289(9) 0.043(7) Uani 0.433(17) 1 d . U P A 1
H04O H 0.497156 0.845534 0.506837 0.052 Uiso 0.433(17) 1 calc R . P A 1
C04P C 0.1355(3) 0.7633(5) 0.3967(3) 0.069(3) Uani 1 1 d . . . . .
H04P H 0.131456 0.747500 0.371220 0.083 Uiso 1 1 calc R . . . .
C04Q C 0.4533(5) 0.1861(5) 0.8015(4) 0.084(4) Uani 1 1 d . . . . .
H04Q H 0.473796 0.159374 0.795570 0.101 Uiso 1 1 calc R . . . .
C04R C 0.2671(5) 0.8836(4) 0.4185(3) 0.073(3) Uani 1 1 d . . . . .
H04R H 0.265314 0.853226 0.401396 0.088 Uiso 1 1 calc R . . . .
C04S C 0.2412(4) 0.9046(6) 0.6132(3) 0.074(3) Uani 1 1 d . . . . .
H04S H 0.214341 0.889613 0.619782 0.089 Uiso 1 1 calc R . . . .
C04T C 0.4010(5) 0.4348(6) 0.8267(4) 0.087(4) Uani 1 1 d . . . . .
H04T H 0.398391 0.442814 0.853623 0.105 Uiso 1 1 calc R . . . .
C04U C 0.7115(5) 0.3811(5) 0.7927(4) 0.074(3) Uani 1 1 d . . . . .
C04V C 0.3507(4) 0.2235(5) 0.6729(3) 0.066(3) Uani 1 1 d . . . . .
C04W C 0.5475(5) 0.2805(5) 0.8321(4) 0.082(3) Uani 1 1 d D U . . .
C04X C 0.7559(4) 0.5593(5) 0.5213(4) 0.070(3) Uani 1 1 d . . . . .
H04X H 0.772582 0.569256 0.545093 0.084 Uiso 1 1 calc R . . . .
C04Y C 0.3805(5) 0.5541(5) 0.7446(4) 0.083(4) Uani 1 1 d . . . . .
H04Y H 0.392222 0.522385 0.734059 0.099 Uiso 1 1 calc R . . . .
C04Z C 0.7278(4) 0.5461(6) 0.3336(3) 0.077(4) Uani 1 1 d . . . . .
H04Z H 0.750751 0.524169 0.325758 0.092 Uiso 1 1 calc R . . . .
C5 C 0.6392(7) -0.0433(10) 0.6744(7) 0.055(6) Uani 0.454(13) 1 d . U P E 1
H5 H 0.648857 -0.079367 0.672001 0.066 Uiso 0.454(13) 1 calc R . P E 1
C5AA C 0.2204(9) 0.6186(15) 0.6756(8) 0.067(7) Uani 0.40(2) 1 d D U P C 2
C05B C 0.7057(5) 0.6878(6) 0.5676(4) 0.091(4) Uani 1 1 d . U . . .
H05B H 0.713101 0.718532 0.552992 0.109 Uiso 1 1 calc R . . . .
C05C C 0.5615(7) 0.8222(11) 0.8044(6) 0.060(5) Uani 0.604(12) 1 d . U P A 1
H05C H 0.574398 0.791628 0.817607 0.072 Uiso 0.604(12) 1 calc R . P A 1
C05D C 0.3663(4) 0.4153(6) 0.8038(4) 0.082(4) Uani 1 1 d . . . . .
C05E C 0.2304(4) 0.7638(6) 0.5501(3) 0.072(3) Uani 1 1 d . . . . .
H05A H 0.254777 0.738494 0.547082 0.086 Uiso 1 1 calc R . . . .
H05D H 0.203187 0.747041 0.537680 0.086 Uiso 1 1 calc R . . . .
C05F C 0.4288(5) 0.9267(6) 0.6782(4) 0.089(4) Uani 1 1 d . U . . .
H05F H 0.412528 0.954548 0.689291 0.107 Uiso 1 1 calc R . . . .
C05G C 0.7195(4) 0.3743(4) 0.7536(3) 0.062(3) Uani 1 1 d . . . . .
H05G H 0.748021 0.379971 0.745824 0.075 Uiso 1 1 calc R . . . .
C05H C 0.4374(4) 0.5996(6) 0.8585(4) 0.083(4) Uani 1 1 d . . . . .
H05H H 0.408088 0.591746 0.848695 0.100 Uiso 1 1 calc R . . . .
C05I C 0.2517(4) 0.6163(5) 0.6089(4) 0.077(3) Uani 1 1 d . U . . .
H05E H 0.248137 0.617720 0.580955 0.092 Uiso 0.40(2) 1 calc R . P C 2
H05I H 0.254482 0.619851 0.581518 0.092 Uiso 0.60(2) 1 calc R . P C 1
C05J C 0.5815(5) 0.7714(5) 0.6915(4) 0.083(4) Uani 1 1 d . U . . .
H05J H 0.553434 0.784627 0.696398 0.100 Uiso 1 1 calc R . . . .
C05K C 0.4941(5) 0.8997(6) 0.6475(5) 0.102(4) Uani 1 1 d . U . . .
H05K H 0.521182 0.909566 0.638139 0.123 Uiso 1 1 calc R . . . .
C05L C 0.5220(6) 0.8160(10) 0.7798(5) 0.052(5) Uani 0.604(12) 1 d . . P A 1
C05M C 0.4120(5) 0.1706(6) 0.8133(5) 0.100(5) Uani 1 1 d . . . . .
H05M H 0.404906 0.133395 0.814258 0.120 Uiso 1 1 calc R . . . .
C05N C 0.6191(5) 0.8024(6) 0.7024(4) 0.089(4) Uani 1 1 d . U . . .
H05N H 0.617017 0.836126 0.715305 0.107 Uiso 1 1 calc R . . . .
C05P C 0.2434(6) 0.9601(7) 0.6040(4) 0.105(5) Uani 1 1 d . . . . .
H05P H 0.218102 0.982051 0.604645 0.125 Uiso 1 1 calc R . . . .
C05Q C 0.3817(5) 0.2087(6) 0.8235(4) 0.095(5) Uani 1 1 d . . . . .
H05Q H 0.354693 0.197633 0.832434 0.114 Uiso 1 1 calc R . . . .
C05R C 0.4683(6) 0.9367(6) 0.6654(5) 0.097(4) Uani 1 1 d . U . . .
C05T C 0.4426(5) 0.7675(6) 0.7997(4) 0.056(4) Uani 0.604(12) 1 d D U P A 1
C05U C 0.3453(6) 0.6472(6) 0.7761(4) 0.100(5) Uani 1 1 d . . . . .
H05U H 0.333581 0.678605 0.787129 0.119 Uiso 1 1 calc R . . . .
C05V C 0.6276(5) 0.4556(6) 0.8920(5) 0.096(4) Uani 1 1 d . . . . .
H05V H 0.623822 0.418079 0.895956 0.115 Uiso 1 1 calc R . . . .
C05X C 0.2718(5) 0.9745(6) 0.4689(4) 0.091(4) Uani 1 1 d . U . . .
H05X H 0.273641 1.004595 0.486210 0.110 Uiso 1 1 calc R . . . .
C05Y C 0.3249(6) 0.5978(7) 0.7798(4) 0.095(4) Uani 1 1 d . . . . .
C05Z C 0.1767(4) 0.5642(6) 0.5061(4) 0.086(4) Uani 1 1 d . U . . .
H05Z H 0.168643 0.535134 0.522038 0.103 Uiso 1 1 calc R . . . .
C06A C 0.2838(6) 0.6122(7) 0.6732(5) 0.047(4) Uani 0.60(2) 1 d . U P C 1
H06A H 0.308358 0.613767 0.692262 0.056 Uiso 0.60(2) 1 calc R . P C 1
C6AA C 0.6042(9) 0.0001(9) 0.6323(7) 0.081(7) Uani 0.546(13) 1 d . . P E 2
H6AA H 0.588606 -0.013247 0.608971 0.097 Uiso 0.546(13) 1 calc R . P E 2
C06B C 0.6597(5) 0.4816(6) 0.9137(5) 0.100(5) Uani 1 1 d . . . . .
H06B H 0.679127 0.462983 0.932350 0.120 Uiso 1 1 calc R . . . .
C06D C 0.2804(5) 0.9348(6) 0.4039(4) 0.093(4) Uani 1 1 d . U . . .
H06D H 0.288031 0.938123 0.377594 0.112 Uiso 1 1 calc R . . . .
C06F C 0.2023(5) 0.6494(6) 0.4577(5) 0.092(4) Uani 1 1 d . U . . .
H06F H 0.210565 0.677917 0.441374 0.111 Uiso 1 1 calc R . . . .
C06K C 0.6637(5) 0.5369(6) 0.9079(4) 0.095(4) Uani 1 1 d . U . . .
H06K H 0.686865 0.555831 0.922344 0.114 Uiso 1 1 calc R . . . .
C06L C 0.5369(5) 0.3262(6) 0.8522(3) 0.093(3) Uani 1 1 d D U . . .
H06L H 0.516800 0.351358 0.839717 0.111 Uiso 1 1 calc R . . . .
C06N C 0.0984(4) 0.7745(7) 0.4186(4) 0.089(4) Uani 1 1 d . U . . .
H06N H 0.069621 0.765857 0.407718 0.107 Uiso 1 1 calc R . . . .
C06O C 0.4040(4) 0.7872(6) 0.7783(5) 0.065(5) Uani 0.604(12) 1 d D U P A 1
H06O H 0.403082 0.791508 0.750513 0.078 Uiso 0.604(12) 1 calc R . P A 1
C06Q C 0.5772(9) 0.8047(11) 0.5729(7) 0.081(7) Uani 0.567(17) 1 d . U P A 2
H06Q H 0.584860 0.775538 0.590181 0.098 Uiso 0.567(17) 1 calc R . P A 2
C06R C 0.4063(6) 0.7740(9) 0.8610(7) 0.106(8) Uani 0.604(12) 1 d D U P A 1
H06R H 0.407141 0.769481 0.888773 0.127 Uiso 0.604(12) 1 calc R . P A 1
C06S C 0.5491(10) 0.8945(12) 0.5258(8) 0.084(8) Uani 0.567(17) 1 d . U P A 2
H06S H 0.536854 0.925794 0.513084 0.101 Uiso 0.567(17) 1 calc R . P A 2
C06T C 0.2507(6) 0.7476(7) 0.6907(4) 0.054(4) Uani 0.582(13) 1 d . . P D 1
H06T H 0.246474 0.717351 0.673734 0.064 Uiso 0.582(13) 1 calc R . P D 1
C06U C 0.5552(6) 0.3362(7) 0.8912(4) 0.111(4) Uani 1 1 d D U . . .
H06U H 0.545074 0.365461 0.905859 0.133 Uiso 1 1 calc R . . . .
C06W C 0.2410(7) 0.7412(8) 0.7304(5) 0.055(4) Uani 0.582(13) 1 d . . P D 1
H06W H 0.233629 0.706770 0.739923 0.067 Uiso 0.582(13) 1 calc R . P D 1
C06X C 0.4433(7) 0.7613(8) 0.8408(5) 0.078(6) Uani 0.604(12) 1 d D U P A 1
H06X H 0.469030 0.748248 0.855367 0.093 Uiso 0.604(12) 1 calc R . P A 1
C06Y C 0.2432(7) 0.5966(8) 0.6858(6) 0.064(5) Uani 0.60(2) 1 d . . P C 1
H06Y H 0.241130 0.589115 0.712876 0.076 Uiso 0.60(2) 1 calc R . P C 1
C06Z C 0.1055(5) 0.7989(8) 0.4569(4) 0.103(4) Uani 1 1 d . U . . .
H06Z H 0.081236 0.808123 0.470938 0.123 Uiso 1 1 calc R . . . .
C7AA C 0.5008(6) 0.0526(7) 0.5952(8) 0.076(7) Uani 0.516(18) 1 d D . P B 1
H7AA H 0.513604 0.018004 0.599247 0.091 Uiso 0.516(18) 1 calc R . P B 1
C07B C 0.3679(8) 0.7935(10) 0.8391(6) 0.106(8) Uani 0.604(12) 1 d D U P A 1
H07B H 0.342896 0.801987 0.852323 0.127 Uiso 0.604(12) 1 calc R . P A 1
C07E C 0.2634(6) 0.8432(7) 0.7017(5) 0.054(4) Uani 0.582(13) 1 d . . P D 1
H07E H 0.269112 0.877909 0.691598 0.065 Uiso 0.582(13) 1 calc R . P D 1
C07F C 0.5888(6) 0.3024(7) 0.9080(5) 0.129(4) Uani 1 1 d D U . . .
H07F H 0.599487 0.306428 0.934929 0.155 Uiso 1 1 calc R . . . .
C07G C 0.2531(6) 0.8376(8) 0.7412(5) 0.058(5) Uani 0.582(13) 1 d . . P D 1
H07G H 0.253108 0.867848 0.758252 0.069 Uiso 0.582(13) 1 calc R . P D 1
C07K C 0.1586(6) 0.6354(8) 0.4578(6) 0.127(6) Uani 1 1 d . U . . .
H07K H 0.137034 0.653148 0.440636 0.152 Uiso 1 1 calc R . . . .
C07M C 0.5632(7) 0.9165(9) 0.7907(6) 0.086(7) Uani 0.604(12) 1 d . . P A 1
H07M H 0.577293 0.950514 0.793878 0.103 Uiso 0.604(12) 1 calc R . P A 1
C07O C 0.3667(6) 0.8003(8) 0.7979(6) 0.079(6) Uani 0.604(12) 1 d D U P A 1
H07O H 0.341040 0.813741 0.783442 0.094 Uiso 0.604(12) 1 calc R . P A 1
C07R C 0.5869(8) 0.8941(10) 0.5472(7) 0.086(7) Uani 0.567(17) 1 d . U P A 2
C8AA C 0.4354(5) 0.1138(6) 0.5900(7) 0.059(6) Uani 0.516(18) 1 d D . P B 1
H8AA H 0.404823 0.118345 0.591023 0.071 Uiso 0.516(18) 1 calc R . P B 1
C9AA C 0.4631(4) 0.1579(6) 0.5838(7) 0.061(6) Uani 0.516(18) 1 d D . P B 1
H9AA H 0.450021 0.191758 0.577297 0.073 Uiso 0.516(18) 1 calc R . P B 1
C11 C 0.6508(6) 0.0402(8) 0.7008(6) 0.059(5) Uani 0.546(13) 1 d . . P E 2
H11 H 0.669766 0.056791 0.720920 0.070 Uiso 0.546(13) 1 calc R . P E 2
C5BA C 0.5956(6) 0.0521(9) 0.6456(6) 0.064(5) Uani 0.546(13) 1 d . . P E 2
H5BA H 0.577477 0.076091 0.629715 0.077 Uiso 0.546(13) 1 calc R . P E 2
C020 C 0.7150(3) 0.4575(3) 0.6371(2) 0.0426(19) Uani 1 1 d . . . . .
C022 C 0.6517(3) 0.6196(3) 0.5854(2) 0.046(2) Uani 1 1 d . . . . .
C23 C 0.6434(7) 0.0512(8) 0.6591(6) 0.056(6) Uani 0.454(13) 1 d . . P E 1
H23 H 0.656557 0.078150 0.644344 0.067 Uiso 0.454(13) 1 calc R . P E 1
C023 C 0.3705(3) 0.8563(4) 0.4841(3) 0.049(2) Uani 1 1 d . . . . .
H023 H 0.352550 0.839464 0.463459 0.059 Uiso 1 1 calc R . . . .
C024 C 0.5256(3) 0.1900(4) 0.7218(3) 0.050(2) Uani 1 1 d . . . . .
H02C H 0.531303 0.218778 0.702726 0.060 Uiso 1 1 calc R . . . .
H02G H 0.493506 0.185826 0.721529 0.060 Uiso 1 1 calc R . . . .
C025 C 0.7184(3) 0.2625(3) 0.6383(2) 0.0392(17) Uani 1 1 d . . . . .
C026 C 0.3821(3) 0.8272(3) 0.5197(3) 0.0431(19) Uani 1 1 d . . . . .
C027 C 0.6389(3) 0.1574(4) 0.7379(2) 0.046(2) Uani 1 1 d . . . . .
C27 C 0.6585(8) -0.0055(10) 0.6541(7) 0.066(6) Uani 0.454(13) 1 d . U P E 1
H27 H 0.680617 -0.014213 0.637364 0.079 Uiso 0.454(13) 1 calc R . P E 1
C028 C 0.6601(3) 0.6115(4) 0.3548(3) 0.053(2) Uani 1 1 d . . . . .
H028 H 0.637042 0.634308 0.361537 0.064 Uiso 1 1 calc R . . . .
C29 C 0.3015(9) 0.7808(11) 0.7428(7) 0.069(8) Uani 0.418(13) 1 d D . P D 2
H29 H 0.326242 0.781691 0.761705 0.083 Uiso 0.418(13) 1 calc R . P D 2
C029 C 0.6890(3) 0.5216(3) 0.4874(3) 0.046(2) Uani 1 1 d . . . . .
C30 C 0.5230(7) 0.9133(9) 0.7659(6) 0.081(6) Uani 0.604(12) 1 d . U P A 1
H30 H 0.509613 0.944425 0.753821 0.097 Uiso 0.604(12) 1 calc R . P A 1
C030 C 0.6923(4) 0.2195(4) 0.7708(3) 0.064(3) Uani 1 1 d . . . . .
H030 H 0.709780 0.250926 0.769686 0.077 Uiso 1 1 calc R . . . .
C031 C 0.5459(3) 0.1355(3) 0.7082(3) 0.046(2) Uani 1 1 d . . . . .
H03G H 0.526471 0.120819 0.685866 0.056 Uiso 1 1 calc R . . . .
H03K H 0.546081 0.109346 0.730155 0.056 Uiso 1 1 calc R . . . .
C032 C 0.2901(4) 0.6257(4) 0.6335(3) 0.059(3) Uani 1 1 d D . . . .
C033 C 0.6861(4) 0.5229(5) 0.3394(3) 0.062(3) Uani 1 1 d . . . . .
H033 H 0.681495 0.485339 0.335610 0.074 Uiso 1 1 calc R . . . .
C33 C 0.2594(7) 0.6352(12) 0.6979(7) 0.063(8) Uani 0.40(2) 1 d D U P C 2
H33 H 0.261363 0.642175 0.725416 0.075 Uiso 0.40(2) 1 calc R . P C 2
C034 C 0.1848(3) 0.7985(5) 0.4529(3) 0.062(3) Uani 1 1 d . . . . .
C035 C 0.2567(4) 0.8776(4) 0.4576(3) 0.058(3) Uani 1 1 d . . . . .
C35 C 0.6061(8) -0.0338(9) 0.6988(7) 0.065(7) Uani 0.454(13) 1 d . . P E 1
H35 H 0.592363 -0.061772 0.712173 0.078 Uiso 0.454(13) 1 calc R . P E 1
C036 C 0.6646(3) 0.5150(4) 0.7736(3) 0.053(2) Uani 1 1 d . . . . .
H036 H 0.650334 0.484392 0.783222 0.064 Uiso 1 1 calc R . . . .
C36 C 0.5845(7) 0.8518(10) 0.5953(7) 0.056(6) Uani 0.433(17) 1 d . U P A 1
H36 H 0.606749 0.853789 0.616557 0.068 Uiso 0.433(17) 1 calc R . P A 1
C037 C 0.7489(4) 0.5527(5) 0.4497(4) 0.070(3) Uani 1 1 d . . . . .
H037 H 0.760765 0.558953 0.425350 0.084 Uiso 1 1 calc R . . . .
C038 C 0.4444(3) 0.4305(4) 0.7702(3) 0.049(2) Uani 1 1 d . . . . .
C039 C 0.4368(4) 0.8320(4) 0.6569(3) 0.063(3) Uani 1 1 d . . . . .
C39 C 0.5942(7) 0.0236(8) 0.7021(7) 0.071(7) Uani 0.454(13) 1 d D . P E 1
H39 H 0.571918 0.032365 0.718645 0.085 Uiso 0.454(13) 1 calc R . P E 1
C40 C 0.5578(8) 0.9154(9) 0.7399(8) 0.083(10) Uani 0.396(12) 1 d D . P A 2
H40 H 0.553954 0.940841 0.719060 0.099 Uiso 0.396(12) 1 calc R . P A 2
C040 C 0.4122(5) 0.8729(5) 0.6746(4) 0.083(4) Uani 1 1 d . . . . .
H040 H 0.384864 0.864263 0.684031 0.100 Uiso 1 1 calc R . . . .
C041 C 0.4722(3) 0.5841(5) 0.8368(3) 0.063(3) Uani 1 1 d . . . . .
H041 H 0.466314 0.567716 0.811666 0.076 Uiso 1 1 calc R . . . .
C042 C 0.4243(4) 0.9047(5) 0.5458(4) 0.074(3) Uani 1 1 d . . . . .
H042 H 0.442819 0.921208 0.566296 0.089 Uiso 1 1 calc R . . . .
C42 C 0.2952(7) 0.6402(12) 0.6746(4) 0.054(7) Uani 0.40(2) 1 d D U P C 2
H42 H 0.322596 0.653177 0.686165 0.065 Uiso 0.40(2) 1 calc R . P C 2
C043 C 0.6013(3) 0.5395(5) 0.8590(3) 0.062(3) Uani 1 1 d . . . . .
C43 C 0.6575(8) -0.0122(9) 0.6880(7) 0.069(6) Uani 0.546(13) 1 d . U P E 2
H43 H 0.677383 -0.035124 0.702966 0.083 Uiso 0.546(13) 1 calc R . P E 2
C044 C 0.3676(3) 0.4018(5) 0.7646(4) 0.074(3) Uani 1 1 d . . . . .
H044 H 0.342675 0.387525 0.749510 0.089 Uiso 1 1 calc R . . . .
C045 C 0.6667(4) 0.1428(5) 0.8063(3) 0.069(3) Uani 1 1 d . . . . .
H045 H 0.667120 0.122434 0.829956 0.083 Uiso 1 1 calc R . . . .
C046 C 0.5154(3) 0.5929(6) 0.8521(3) 0.072(3) Uani 1 1 d . . . . .
C047 C 0.7091(4) 0.6041(5) 0.7452(3) 0.068(3) Uani 1 1 d . . . . .
H047 H 0.724367 0.633871 0.735616 0.082 Uiso 1 1 calc R . . . .
C48 C 0.6348(9) -0.0314(11) 0.6526(8) 0.075(6) Uani 0.546(13) 1 d . U P E 2
H48 H 0.640908 -0.066255 0.643123 0.090 Uiso 0.546(13) 1 calc R . P E 2
C048 C 0.5894(3) 0.6390(4) 0.8133(3) 0.055(2) Uani 1 1 d . . . . .
H04K H 0.595767 0.657523 0.838984 0.066 Uiso 1 1 calc R . . . .
H04L H 0.617849 0.630342 0.803319 0.066 Uiso 1 1 calc R . . . .
C049 C 0.5243(4) 0.7067(5) 0.8019(3) 0.070(3) Uani 1 1 d . . . . .
H04V H 0.533748 0.721054 0.828520 0.084 Uiso 0.396(12) 1 calc R . P A 2
H04W H 0.501175 0.679448 0.804355 0.084 Uiso 0.396(12) 1 calc R . P A 2
H04M H 0.535805 0.726252 0.826077 0.084 Uiso 0.604(12) 1 calc R . P A 1
H04U H 0.505651 0.677058 0.810252 0.084 Uiso 0.604(12) 1 calc R . P A 1
C050 C 0.6345(4) 0.5656(5) 0.8812(4) 0.084(4) Uani 1 1 d . . . . .
H050 H 0.637861 0.603412 0.878604 0.101 Uiso 1 1 calc R . . . .
C051 C 0.3917(5) 0.2639(6) 0.8204(3) 0.085(4) Uani 1 1 d . . . . .
H051 H 0.371020 0.290167 0.826770 0.101 Uiso 1 1 calc R . . . .
C052 C 0.6647(5) 0.7336(5) 0.6759(4) 0.079(3) Uani 1 1 d . . . . .
H052 H 0.692684 0.720948 0.670376 0.095 Uiso 1 1 calc R . . . .
C053 C 0.2831(6) 0.9830(6) 0.5938(4) 0.094(4) Uani 1 1 d . . . . .
H053 H 0.284286 1.020143 0.587157 0.113 Uiso 1 1 calc R . . . .
C054 C 0.2593(4) 0.9246(6) 0.4822(3) 0.081(4) Uani 1 1 d . . . . .
H054 H 0.252187 0.921334 0.508659 0.098 Uiso 1 1 calc R . . . .
C54 C 0.5039(7) 0.8614(7) 0.7601(5) 0.071(6) Uani 0.604(12) 1 d . . P A 1
H54 H 0.478292 0.857343 0.742380 0.086 Uiso 0.604(12) 1 calc R . P A 1
C055 C 0.6597(5) 0.7820(6) 0.6937(4) 0.087(4) Uani 1 1 d . . . . .
C056 C 0.5641(4) 0.6811(5) 0.7831(3) 0.075(4) Uani 1 1 d . . . . .
H05L H 0.584545 0.709816 0.776382 0.090 Uiso 1 1 calc R . . . .
H05O H 0.553563 0.662126 0.758372 0.090 Uiso 1 1 calc R . . . .
C057 C 0.3828(6) 0.6507(6) 0.7563(4) 0.094(5) Uani 1 1 d . . . . .
H057 H 0.395912 0.684889 0.753234 0.112 Uiso 1 1 calc R . . . .
C058 C 0.3735(4) 0.2453(5) 0.7074(3) 0.071(3) Uani 1 1 d . . . . .
H058 H 0.363318 0.239785 0.732605 0.085 Uiso 1 1 calc R . . . .
C58 C 0.5404(11) 0.8938(16) 0.5402(11) 0.077(9) Uani 0.433(17) 1 d . U P A 1
H58 H 0.532982 0.925121 0.525049 0.093 Uiso 0.433(17) 1 calc R . P A 1
C059 C 0.2425(10) 0.785(2) 0.7545(10) 0.053(6) Uani 0.582(13) 1 d . . P D 1
H059 H 0.236368 0.779964 0.781122 0.064 Uiso 0.582(13) 1 calc R . P D 1
C060 C 0.5989(5) 0.4828(6) 0.8634(5) 0.102(5) Uani 1 1 d . . . . .
H060 H 0.577980 0.462835 0.847085 0.122 Uiso 1 1 calc R . . . .
C061 C 0.3411(6) 0.5503(6) 0.7644(4) 0.093(4) Uani 1 1 d . . . . .
H061 H 0.326702 0.516784 0.766994 0.111 Uiso 1 1 calc R . . . .
C062 C 0.5231(5) 0.6142(7) 0.8910(4) 0.094(4) Uani 1 1 d . U . . .
H062 H 0.552271 0.617461 0.902653 0.113 Uiso 1 1 calc R . . . .
C62 C 0.5627(7) 0.8024(10) 0.5864(7) 0.046(5) Uani 0.433(17) 1 d . U P A 1
H62 H 0.569840 0.771993 0.602679 0.055 Uiso 0.433(17) 1 calc R . P A 1
C063 C 0.1479(4) 0.8089(7) 0.4734(4) 0.088(4) Uani 1 1 d . U . . .
H063 H 0.152151 0.823308 0.499310 0.105 Uiso 1 1 calc R . . . .
C064 C 0.4458(5) 0.6266(7) 0.8947(4) 0.102(5) Uani 1 1 d . . . . .
H064 H 0.422565 0.642226 0.907351 0.123 Uiso 1 1 calc R . . . .
C065 C 0.5823(9) 0.8734(12) 0.8098(7) 0.079(7) Uani 0.604(12) 1 d . U P A 1
H065 H 0.608710 0.877254 0.826433 0.095 Uiso 0.604(12) 1 calc R . P A 1
C066 C 0.4891(5) 0.6300(7) 0.9121(5) 0.107(5) Uani 1 1 d . U . . .
H066 H 0.494955 0.643250 0.938187 0.129 Uiso 1 1 calc R . . . .
C067 C 0.2184(16) 0.604(2) 0.6353(9) 0.077(11) Uani 0.40(2) 1 d D U P C 2
H067 H 0.193394 0.584355 0.624690 0.093 Uiso 0.40(2) 1 calc R . P C 2
C67 C 0.5365(10) 0.8276(11) 0.7682(7) 0.055(8) Uani 0.396(12) 1 d D . P A 2
C068 C 0.2819(6) 0.9802(6) 0.4290(5) 0.105(5) Uani 1 1 d . U . . .
H068 H 0.289560 1.014534 0.419323 0.126 Uiso 1 1 calc R . . . .
C69 C 0.4016(7) 0.7755(8) 0.8426(6) 0.074(5) Uani 0.396(12) 1 d D U P A 2
H69 H 0.391371 0.754583 0.863277 0.088 Uiso 0.396(12) 1 calc R . P A 2
C63 C 0.4381(7) 0.7577(7) 0.8235(7) 0.067(5) Uani 0.396(12) 1 d DG U P A 2
H63 H 0.452334 0.724925 0.831262 0.081 Uiso 0.396(12) 1 calc R . P A 2
C4AA C 0.4533(6) 0.7889(8) 0.7926(6) 0.059(4) Uani 0.396(12) 1 d DG U P A 2
C60 C 0.4320(6) 0.8379(8) 0.7809(5) 0.072(5) Uani 0.396(12) 1 d DG U P A 2
H60 H 0.442225 0.858782 0.760276 0.086 Uiso 0.396(12) 1 calc R . P A 2
C71 C 0.3955(6) 0.8557(7) 0.8001(6) 0.080(5) Uani 0.396(12) 1 d DG U P A 2
H71 H 0.381262 0.888442 0.792291 0.096 Uiso 0.396(12) 1 calc R . P A 2
C66 C 0.3803(6) 0.8245(9) 0.8310(6) 0.077(5) Uani 0.396(12) 1 d DG U P A 2
H66 H 0.355835 0.836343 0.843791 0.093 Uiso 0.396(12) 1 calc R . P A 2
C70 C 0.5250(6) 0.1002(4) 0.5890(7) 0.063(6) Uani 0.516(18) 1 d D . P B 1
H70 H 0.555169 0.095476 0.585928 0.075 Uiso 0.516(18) 1 calc R . P B 1
C73 C 0.5294(11) 0.8460(15) 0.5236(10) 0.064(7) Uani 0.567(17) 1 d . U P A 2
H73 H 0.506276 0.841064 0.503336 0.077 Uiso 0.567(17) 1 calc R . P A 2
C74 C 0.5728(7) 0.8992(9) 0.5721(6) 0.052(6) Uani 0.433(17) 1 d . U P A 1
C075 C 0.5898(9) 0.9244(12) 0.7721(7) 0.085(11) Uani 0.396(12) 1 d D . P A 2
H075 H 0.607352 0.956001 0.773689 0.102 Uiso 0.396(12) 1 calc R . P A 2
C076 C 0.1460(6) 0.5936(8) 0.4843(6) 0.119(5) Uani 1 1 d . U . . .
C077 C 0.2079(6) 0.5921(8) 0.6603(7) 0.063(5) Uani 0.60(2) 1 d . U P C 1
C78 C 0.5394(9) 0.8052(12) 0.5469(8) 0.055(7) Uani 0.567(17) 1 d . U P A 2
C80 C 0.5316(8) 0.8684(8) 0.7392(7) 0.059(7) Uani 0.396(12) 1 d D . P A 2
H80 H 0.509551 0.864088 0.717925 0.070 Uiso 0.396(12) 1 calc R . P A 2
C082 C 0.5841(5) 0.2495(7) 0.8474(5) 0.124(4) Uani 1 1 d D U . . .
H082 H 0.593643 0.219962 0.832622 0.148 Uiso 1 1 calc R . . . .
C084 C 0.6025(9) 0.8504(11) 0.5713(8) 0.094(8) Uani 0.567(17) 1 d . U P A 2
H084 H 0.630188 0.852573 0.586255 0.113 Uiso 0.567(17) 1 calc R . P A 2
C89 C 0.2591(10) 0.780(3) 0.7564(13) 0.067(15) Uani 0.418(13) 1 d D . P D 2
H89 H 0.255185 0.777329 0.783652 0.081 Uiso 0.418(13) 1 calc R . P D 2
C90 C 0.5686(10) 0.8369(13) 0.8000(10) 0.069(13) Uani 0.396(12) 1 d D U P A 2
H90 H 0.572999 0.811057 0.820575 0.082 Uiso 0.396(12) 1 calc R . P A 2
C93 C 0.5944(10) 0.8844(11) 0.8016(10) 0.062(9) Uani 0.396(12) 1 d D U P A 2
H93 H 0.615681 0.889386 0.823345 0.074 Uiso 0.396(12) 1 calc R . P A 2
C95 C 0.2085(8) 0.6020(10) 0.6190(8) 0.072(6) Uani 0.60(2) 1 d . . P C 1
H95 H 0.183482 0.599431 0.600407 0.086 Uiso 0.60(2) 1 calc R . P C 1
O5 O 0.6934(7) 0.8828(8) 0.5282(7) 0.206(6) Uani 1 1 d D U . . .
C12 C 0.7290(8) 0.8661(12) 0.5427(9) 0.201(5) Uani 1 1 d D U . . .
N16 N 0.7677(8) 0.8756(9) 0.5211(7) 0.186(5) Uani 1 1 d D U . . .
C19 C 0.7467(9) 0.8960(10) 0.4804(7) 0.179(6) Uani 1 1 d D U . . .
H19A H 0.753442 0.870652 0.459752 0.268 Uiso 1 1 calc GR . . . .
H19B H 0.758580 0.931588 0.474890 0.268 Uiso 1 1 calc GR . . . .
H19C H 0.714905 0.898595 0.480988 0.268 Uiso 1 1 calc GR . . . .
N43 N 0.7509(9) 0.8281(11) 0.5711(8) 0.213(5) Uani 1 1 d D U . . .
C56 C 0.8078(9) 0.8431(12) 0.5295(9) 0.201(6) Uani 1 1 d D U . . .
H56A H 0.834462 0.865682 0.531718 0.241 Uiso 1 1 calc R . . . .
H56B H 0.810333 0.814715 0.509419 0.241 Uiso 1 1 calc R . . . .
C2BA C 0.7987(9) 0.8198(14) 0.5685(9) 0.217(6) Uani 1 1 d D U . . .
H2BA H 0.806070 0.780961 0.569770 0.260 Uiso 1 1 calc R . . . .
H2BB H 0.816021 0.838641 0.590362 0.260 Uiso 1 1 calc R . . . .
C76 C 0.7267(11) 0.8193(14) 0.6072(9) 0.225(7) Uani 1 1 d D U . . .
H76A H 0.743326 0.835491 0.630186 0.338 Uiso 1 1 calc GR . . . .
H76B H 0.723397 0.780537 0.611604 0.338 Uiso 1 1 calc GR . . . .
H76C H 0.697769 0.836126 0.603163 0.338 Uiso 1 1 calc GR . . . .
N1 N 0.3455(6) 1.0007(8) 0.7376(5) 0.152(4) Uani 1 1 d D U . . .
N4BA N 0.3832(6) 1.0695(8) 0.7139(6) 0.154(4) Uani 1 1 d D U . . .
C3BA C 0.3134(7) 1.0134(10) 0.7038(7) 0.168(5) Uani 1 1 d D U . . .
H3BA H 0.285193 1.026872 0.711776 0.202 Uiso 1 1 calc R . . . .
H3BB H 0.308573 0.983225 0.684829 0.202 Uiso 1 1 calc R . . . .
C17 C 0.3417(7) 1.0566(10) 0.6900(7) 0.167(5) Uani 1 1 d D U . . .
H17A H 0.349027 1.046654 0.663172 0.201 Uiso 1 1 calc R . . . .
H17B H 0.324049 1.089994 0.687307 0.201 Uiso 1 1 calc R . . . .
C7 C 0.3870(6) 1.0297(9) 0.7458(6) 0.154(4) Uani 1 1 d D U . . .
C4 C 0.4238(7) 1.0970(9) 0.7042(7) 0.157(7) Uani 1 1 d D U . . .
H4A H 0.432485 1.083074 0.679102 0.236 Uiso 1 1 d R . . . .
H4B H 0.447315 1.090204 0.725132 0.236 Uiso 1 1 d R . . . .
H4C H 0.418545 1.135874 0.701862 0.236 Uiso 1 1 d R . . . .
O0AA O 0.4184(6) 1.0252(8) 0.7713(5) 0.179(6) Uani 1 1 d D U . . .
C15 C 0.3369(9) 0.9603(10) 0.7676(7) 0.188(8) Uani 1 1 d D U . . .
H15A H 0.336098 0.978048 0.793269 0.282 Uiso 1 1 d R . . . .
H15B H 0.360188 0.933098 0.769428 0.282 Uiso 1 1 d R . . . .
H15C H 0.308678 0.942768 0.760258 0.282 Uiso 1 1 d R . . . .


_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
Ag0A Ag8 3.331(8) . ?
Ag0A Ag17 3.096(8) 3_666 ?
Ag0A Ag18 2.190(10) . ?
Ag0A Ag35 2.800(17) . ?
Ag0A S11 2.269(9) . ?
Ag0A S14 2.515(9) . ?
Ag1 Ag1B 3.193(5) . ?
Ag1 Ag16 2.845(3) . ?
Ag1 S14 2.814(5) . ?
Ag1 S18 2.869(4) . ?
Ag1 S21 2.711(4) . ?
Ag1 P2 2.590(4) . ?
Ag1A Ag16 3.1954(12) . ?
Ag1A Ag18 3.0499(12) . ?
Ag1A Ag20 3.1502(11) . ?
Ag1A Ag23 3.1893(11) . ?
Ag1A S8 2.751(2) 3_666 ?
Ag1A S13 2.660(2) . ?
Ag1A S14 2.545(2) . ?
Ag1A S18 2.625(2) . ?
Ag1B Ag6 3.058(4) 3_666 ?
Ag1B Ag22 3.077(4) . ?
Ag1B S8 2.729(4) 3_666 ?
Ag1B S13 2.138(4) . ?
Ag1B S18 2.115(4) . ?
Ag2A Ag3A 2.749(2) 3_666 ?
Ag2A Ag4A 2.751(2) . ?
Ag2A Ag7 2.9642(19) . ?
Ag2A Ag10 3.0846(18) 3_666 ?
Ag2A S11 2.353(3) . ?
Ag2A S15 2.706(5) . ?
Ag2A S17 2.402(2) 3_666 ?
Ag2B Ag12 3.0172(18) 3_666 ?
Ag2B Ag12 3.3541(18) . ?
Ag2B Ag15 3.3279(17) . ?
Ag2B Ag17 3.2292(19) 3_666 ?
Ag2B Ag18 2.7678(17) . ?
Ag2B S11 2.398(3) . ?
Ag2C Ag3C 2.822(10) 3_666 ?
Ag2C Ag3C 3.034(15) . ?
Ag2C Ag10 3.051(7) . ?
Ag2C Ag12 3.357(8) . ?
Ag2C Ag12 3.348(8) 3_666 ?
Ag2C S17 2.551(7) . ?
Ag3 Ag3B 3.108(4) 3_666 ?
Ag3 Ag14 3.1268(11) . ?
Ag3 Ag22 2.9963(10) . ?
Ag3 Ag25 3.2108(9) . ?
Ag3 S1 2.570(2) . ?
Ag3 S6 2.787(2) . ?
Ag3 S16 2.569(2) . ?
Ag3 S17 2.588(2) . ?
Ag3A Ag6 3.1029(13) 3_666 ?
Ag3A Ag13 3.0656(11) . ?
Ag3A Ag18 3.1784(16) . ?
Ag3A S13 2.524(2) . ?
Ag3A S15 2.597(4) 3_666 ?
Ag3A S15 2.332(4) . ?
Ag3A S17 2.665(3) . ?
Ag3B Ag6 2.979(4) . ?
Ag3B Ag10 3.214(5) 3_666 ?
Ag3B Ag13 2.894(4) 3_666 ?
Ag3B Ag14 3.232(5) 3_666 ?
Ag3B Ag22 2.884(4) 3_666 ?
Ag3B S13 2.279(5) 3_666 ?
Ag3B S17 1.787(5) 3_666 ?
Ag3C Ag12 3.153(9) 3_666 ?
Ag3C Ag12 3.307(8) . ?
Ag3C Ag17 3.210(9) 3_666 ?
Ag3C S13 2.786(8) . ?
Ag4 Ag22 3.2231(13) . ?
Ag4 S12 2.596(2) . ?
Ag4 S16 2.705(2) . ?
Ag4 S18 2.562(2) . ?
Ag4 P1 2.454(2) . ?
Ag4A Ag7 2.8784(12) . ?
Ag4A Ag9 3.3320(13) . ?
Ag4A Ag10 3.3324(11) 3_666 ?
Ag4A Ag11 3.1094(10) . ?
Ag4A S3 2.407(2) . ?
Ag4A S17 2.373(3) 3_666 ?
Ag4B Ag5A 2.842(14) 3_666 ?
Ag4B Ag9 2.787(6) . ?
Ag4B Ag35 3.13(2) . ?
Ag4B S3 2.351(6) . ?
Ag4B S11 2.229(7) . ?
Ag5 Ag19 3.1823(14) . ?
Ag5 S3 2.671(2) . ?
Ag5 S9 2.605(2) . ?
Ag5 S22 2.662(2) . ?
Ag5 P3 2.434(3) . ?
Ag5A Ag14 3.362(11) . ?
Ag5A S2 2.382(11) . ?
Ag5A S4 2.237(11) 3_666 ?
Ag6 S7 2.512(2) . ?
Ag6 S8 2.564(2) . ?
Ag6 S12 2.707(2) 3_666 ?
Ag6 S13 2.669(2) 3_666 ?
Ag7 Ag14 2.9181(10) 3_666 ?
Ag7 S2 2.777(2) 3_666 ?
Ag7 S4 2.504(2) . ?
Ag7 S7 2.610(3) . ?
Ag7 S17 2.674(2) 3_666 ?
Ag8 Ag35 3.106(16) . ?
Ag8 S10 2.588(3) . ?
Ag8 S14 2.695(3) . ?
Ag8 S22 2.594(2) . ?
Ag8 P6 2.489(11) . ?
Ag8 P7 2.464(6) . ?
Ag9 Ag17 3.0806(11) 3_666 ?
Ag9 S9 2.434(2) . ?
Ag9 S20 2.421(2) . ?
Ag10 Ag13 3.3583(11) . ?
Ag10 S5 2.513(2) . ?
Ag10 S6 2.537(2) . ?
Ag10 S17 2.643(2) . ?
Ag10 S20 2.865(3) 3_666 ?
Ag11 S1 2.618(2) 3_666 ?
Ag11 S3 2.702(2) . ?
Ag11 S20 2.543(2) . ?
Ag11 P5 2.435(2) . ?
Ag12 S5 2.640(2) 3_666 ?
Ag12 S7 2.589(2) 3_666 ?
Ag12 S15 2.602(4) . ?
Ag12 S15 2.619(5) 3_666 ?
Ag12 S19 2.641(2) 3_666 ?
Ag13 Ag16 3.1139(11) . ?
Ag13 Ag22 2.9703(13) . ?
Ag13 S6 2.495(2) . ?
Ag13 S13 2.638(3) . ?
Ag13 S19 2.498(3) . ?
Ag14 S2 2.437(2) . ?
Ag14 S12 2.407(2) . ?
Ag15 Ag18 3.0369(13) . ?
Ag15 Ag19 3.2582(14) . ?
Ag15 Ag35 2.645(16) . ?
Ag15 S4 2.496(2) . ?
Ag15 S10 2.827(2) . ?
Ag15 S11 2.881(3) . ?
Ag15 S19 2.475(2) . ?
Ag16 Ag18 3.0036(11) . ?
Ag16 S10 2.420(3) . ?
Ag16 S21 2.388(3) . ?
Ag17 Ag18 2.9615(11) 3_666 ?
Ag17 Ag23 2.9745(12) 3_666 ?
Ag17 S5 2.481(2) . ?
Ag17 S8 2.456(2) . ?
Ag17 S11 2.648(3) 3_666 ?
Ag18 Ag23 2.9545(15) . ?
Ag18 S11 2.383(3) . ?
Ag18 S13 2.340(3) . ?
Ag19 Ag23 3.2417(14) . ?
Ag19 S4 2.577(2) . ?
Ag19 S11 2.566(2) . ?
Ag19 S22 2.423(2) . ?
Ag20 S18 2.391(3) . ?
Ag20 S21 2.570(2) . ?
Ag20 P2 2.379(2) . ?
Ag22 S13 2.465(2) . ?
Ag22 S16 2.411(2) . ?
Ag22 S21 2.763(2) . ?
Ag23 S9 2.561(3) . ?
Ag23 S11 2.632(2) . ?
Ag23 S14 2.448(2) . ?
Ag25 S1 2.491(2) . ?
Ag25 S2 2.5676(19) . ?
Ag25 P4 2.411(2) . ?
Ag35 S4 2.528(15) . ?
Ag35 S10 2.49(2) . ?
Ag35 S11 2.670(14) . ?
Ag35 S22 2.682(15) . ?
S1 C025 1.770(8) . ?
S2 C01X 1.766(7) . ?
S3 C026 1.789(9) . ?
S4 C03K 1.63(3) . ?
S4 C78 1.94(3) . ?
S5 C029 1.775(10) . ?
S6 C020 1.780(9) . ?
S7 C01W 1.769(9) . ?
S8 C02Q 1.785(10) . ?
S9 C032 1.794(11) . ?
S10 C02X 1.797(10) . ?
S12 C02C 1.779(11) . ?
S14 C03A 1.764(14) . ?
S16 C02S 1.767(10) . ?
S18 C038 1.792(9) . ?
S19 C022 1.765(10) . ?
S20 C02Z 1.768(11) . ?
S21 C02U 1.759(8) . ?
S22 C039 1.771(11) . ?
P1 C03G 1.819(9) . ?
P1 C04B 1.808(12) . ?
P1 C04W 1.827(12) . ?
P2 C043 1.842(11) . ?
P2 C046 1.827(11) . ?
P2 C048 1.812(11) . ?
P3 C02G 1.841(10) . ?
P3 C02R 1.808(11) . ?
P3 C04H 1.854(10) . ?
P4 C02O 1.838(10) . ?
P4 C027 1.835(9) . ?
P4 C031 1.810(9) . ?
P5 C04M 1.816(9) . ?
P5 C034 1.817(10) . ?
P5 C035 1.831(11) . ?
P6 C049 2.050(16) . ?
P6 C67 1.77(3) . ?
P6 C4AA 1.858(18) . ?
P7 C05L 1.83(3) . ?
P7 C05T 1.826(17) . ?
P7 C049 1.736(11) . ?
F1 C02I 1.366(10) . ?
F2 C02M 1.369(12) . ?
F3 C04K 1.368(11) . ?
F4 C04E 1.386(13) . ?
F5 C03P 1.361(11) . ?
F6 C03E 1.370(12) . ?
F7 C04U 1.360(13) . ?
F8 C04V 1.380(14) . ?
F9 C04L 1.378(14) . ?
F10 C03Z 1.353(12) . ?
F11 C04J 1.36(4) . ?
F12 C05Y 1.372(18) . ?
F13 C055 1.385(14) . ?
F14 C05R 1.419(16) . ?
F15 C077 1.39(2) . ?
F16 C076 1.383(19) . ?
F17 C74 1.32(3) . ?
F18 C05D 1.366(13) . ?
F19 C07R 1.44(3) . ?
F20 C5AA 1.32(3) . ?
F21 C65 1.34(4) . ?
C0AA C07F 1.389(10) . ?
C0AA C082 1.391(9) . ?
C1AA C2AA 1.36(4) . ?
C1AA C02G 1.22(2) . ?
C01W C02A 1.383(13) . ?
C01W C02B 1.384(12) . ?
C01X C1BA 1.3900 . ?
C01X C0BA 1.3900 . ?
C01X C9AA 1.377(9) . ?
C01X C70 1.398(9) . ?
C1BA C24 1.3900 . ?
C24 C65 1.3900 . ?
C65 C64 1.3900 . ?
C64 C0BA 1.3900 . ?
C02A C03T 1.371(13) . ?
C2AA C89 1.388(10) . ?
C02B C03Q 1.399(13) . ?
C02C C03V 1.362(14) . ?
C02C C04I 1.401(13) . ?
C02D C02V 1.402(12) . ?
C02D C025 1.395(12) . ?
C02E C03O 1.404(14) . ?
C02E C022 1.381(12) . ?
C02F C027 1.370(14) . ?
C02F C030 1.383(13) . ?
C02G C3AA 1.54(2) . ?
C02G C06T 1.325(19) . ?
C02G C07E 1.50(2) . ?
C02H C04P 1.374(14) . ?
C02H C034 1.413(13) . ?
C02I C02T 1.345(15) . ?
C02I C02V 1.383(14) . ?
C02K C03S 1.376(14) . ?
C02K C020 1.374(13) . ?
C02M C03F 1.366(17) . ?
C02M C03S 1.397(15) . ?
C02N C04X 1.387(15) . ?
C02N C029 1.375(12) . ?
C02O C11 1.39(2) . ?
C02O C5BA 1.34(2) . ?
C02O C23 1.29(2) . ?
C02O C39 1.413(10) . ?
C02P C02T 1.390(13) . ?
C02P C025 1.397(12) . ?
C02Q C028 1.399(13) . ?
C02Q C033 1.356(13) . ?
C02R C03C 1.379(13) . ?
C02R C04S 1.383(14) . ?
C02S C03I 1.412(14) . ?
C02S C04D 1.408(13) . ?
C02U C03D 1.380(13) . ?
C02U C036 1.386(13) . ?
C02W C029 1.399(13) . ?
C02W C037 1.389(15) . ?
C02X C04G 1.347(16) . ?
C02X C05J 1.374(15) . ?
C02Y C02Z 1.387(14) . ?
C02Y C05Z 1.377(16) . ?
C02Z C06F 1.363(15) . ?
C03A C04Y 1.392(19) . ?
C03A C057 1.401(15) . ?
C3AA C29 1.37(3) . ?
C03B C04T 1.404(17) . ?
C03B C038 1.381(13) . ?
C03C C04A 1.407(15) . ?
C03D C047 1.399(14) . ?
C03E C04X 1.342(16) . ?
C03E C037 1.386(16) . ?
C03F C03U 1.363(15) . ?
C03G C024 1.541(13) . ?
C03H C027 1.396(12) . ?
C03H C045 1.365(14) . ?
C03I C05G 1.385(14) . ?
C03J C030 1.349(15) . ?
C03J C045 1.416(17) . ?
C03K C04O 1.47(5) . ?
C03K C62 1.44(3) . ?
C03L C03Z 1.375(15) . ?
C03L C023 1.380(14) . ?
C03M C038 1.376(14) . ?
C03M C044 1.387(14) . ?
C03N C04E 1.367(15) . ?
C03N C028 1.346(14) . ?
C03O C04L 1.321(15) . ?
C03P C03Y 1.354(16) . ?
C03P C047 1.351(16) . ?
C03Q C04K 1.365(15) . ?
C03R C026 1.379(12) . ?
C03R C042 1.361(15) . ?
C03T C04K 1.398(15) . ?
C03U C020 1.409(12) . ?
C03V C03W 1.404(16) . ?
C03W C04V 1.337(15) . ?
C03X C05K 1.423(18) . ?
C03X C039 1.365(18) . ?
C03Y C036 1.385(13) . ?
C03Z C042 1.391(17) . ?
C04A C053 1.335(19) . ?
C04B C04C 1.413(14) . ?
C04B C04Q 1.403(16) . ?
C04C C051 1.356(18) . ?
C04D C04F 1.394(18) . ?
C04E C04Z 1.345(17) . ?
C04F C04U 1.358(19) . ?
C04G C052 1.409(17) . ?
C04H C05E 1.529(13) . ?
C04I C058 1.347(17) . ?
C04J C7AA 1.381(10) . ?
C04J C8AA 1.383(10) . ?
C04L C05B 1.378(19) . ?
C04M C05E 1.514(16) . ?
C04N C05B 1.399(18) . ?
C04N C022 1.404(14) . ?
C04O C58 1.36(6) . ?
C04P C06N 1.415(17) . ?
C04Q C05M 1.388(19) . ?
C04R C06D 1.409(18) . ?
C04R C035 1.378(14) . ?
C04S C05P 1.39(2) . ?
C04T C05D 1.32(2) . ?
C04U C05G 1.357(16) . ?
C04V C058 1.390(17) . ?
C04W C06L 1.353(17) . ?
C04W C082 1.391(9) . ?
C04Y C061 1.41(2) . ?
C04Z C033 1.405(17) . ?
C5 C27 1.31(4) . ?
C5 C35 1.36(3) . ?
C5AA C33 1.387(10) . ?
C5AA C067 1.388(10) . ?
C05C C05L 1.39(2) . ?
C05C C065 1.40(4) . ?
C05D C044 1.353(18) . ?
C05F C05R 1.32(2) . ?
C05F C040 1.402(19) . ?
C05H C041 1.381(16) . ?
C05H C064 1.377(19) . ?
C05I C032 1.371(16) . ?
C05I C067 1.43(5) . ?
C05I C95 1.42(3) . ?
C05J C05N 1.379(19) . ?
C05K C05R 1.36(2) . ?
C05L C54 1.37(3) . ?
C05M C05Q 1.365(18) . ?
C05N C055 1.37(2) . ?
C05P C053 1.39(2) . ?
C05Q C051 1.38(2) . ?
C05T C06O 1.390(9) . ?
C05T C06X 1.380(10) . ?
C05U C05Y 1.36(2) . ?
C05U C057 1.36(2) . ?
C05V C06B 1.314(19) . ?
C05V C060 1.39(2) . ?
C05X C054 1.36(2) . ?
C05X C068 1.40(2) . ?
C05Y C061 1.371(19) . ?
C05Z C076 1.33(2) . ?
C06A C06Y 1.38(2) . ?
C06A C032 1.393(19) . ?
C6AA C5BA 1.37(3) . ?
C6AA C48 1.33(4) . ?
C06B C06K 1.365(19) . ?
C06D C068 1.383(19) . ?
C06F C07K 1.36(2) . ?
C06K C050 1.378(17) . ?
C06L C06U 1.385(9) . ?
C06N C06Z 1.41(2) . ?
C06O C07O 1.387(10) . ?
C06Q C78 1.36(4) . ?
C06Q C084 1.35(4) . ?
C06R C06X 1.387(10) . ?
C06R C07B 1.389(10) . ?
C06S C07R 1.29(4) . ?
C06S C73 1.32(5) . ?
C06T C06W 1.39(2) . ?
C06U C07F 1.380(9) . ?
C06W C059 1.33(5) . ?
C06Y C077 1.30(3) . ?
C06Z C063 1.364(19) . ?
C7AA C70 1.392(10) . ?
C07B C07O 1.381(10) . ?
C07E C07G 1.39(2) . ?
C07G C059 1.41(6) . ?
C07K C076 1.42(2) . ?
C07M C30 1.40(3) . ?
C07M C065 1.33(3) . ?
C07R C084 1.39(4) . ?
C8AA C9AA 1.383(10) . ?
C11 C43 1.37(3) . ?
C23 C27 1.47(3) . ?
C023 C026 1.396(13) . ?
C024 C031 1.545(12) . ?
C29 C89 1.390(10) . ?
C30 C54 1.39(3) . ?
C032 C42 1.411(10) . ?
C33 C42 1.390(10) . ?
C034 C063 1.378(15) . ?
C035 C054 1.403(15) . ?
C35 C39 1.45(3) . ?
C36 C62 1.39(3) . ?
C36 C74 1.41(3) . ?
C039 C040 1.403(15) . ?
C40 C075 1.389(10) . ?
C40 C80 1.386(10) . ?
C041 C046 1.365(14) . ?
C043 C050 1.345(15) . ?
C043 C060 1.389(18) . ?
C43 C48 1.39(4) . ?
C046 C062 1.396(16) . ?
C048 C056 1.580(14) . ?
C049 C056 1.535(14) . ?
C052 C055 1.333(19) . ?
C58 C74 1.38(4) . ?
C062 C066 1.347(18) . ?
C064 C066 1.38(2) . ?
C67 C80 1.386(10) . ?
C67 C90 1.386(10) . ?
C69 C63 1.3900 . ?
C69 C66 1.3900 . ?
C63 C4AA 1.3900 . ?
C4AA C60 1.3900 . ?
C60 C71 1.3900 . ?
C71 C66 1.3900 . ?
C73 C78 1.28(5) . ?
C075 C93 1.381(10) . ?
C077 C95 1.40(3) . ?
C90 C93 1.388(10) . ?
O5 C12 1.204(10) . ?
C12 N16 1.442(10) . ?
C12 N43 1.438(10) . ?
N16 C19 1.525(17) . ?
N16 C56 1.447(10) . ?
N43 C2BA 1.460(10) . ?
N43 C76 1.480(18) . ?
C56 C2BA 1.466(10) . ?
N1 C3BA 1.445(10) . ?
N1 C7 1.437(10) . ?
N1 C15 1.444(10) . ?
N4BA C17 1.453(10) . ?
N4BA C7 1.435(10) . ?
N4BA C4 1.454(10) . ?
C3BA C17 1.453(10) . ?
C7 O0AA 1.216(15) . ?

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
Ag17 Ag0A Ag8 161.7(4) 3_666 . ?
Ag18 Ag0A Ag8 132.2(4) . . ?
Ag18 Ag0A Ag17 65.5(2) . 3_666 ?
Ag18 Ag0A Ag35 101.0(5) . . ?
Ag18 Ag0A S11 64.6(3) . . ?
Ag18 Ag0A S14 121.1(4) . . ?
Ag35 Ag0A Ag8 60.1(3) . . ?
S11 Ag0A Ag8 122.4(3) . . ?
S11 Ag0A Ag17 56.64(19) . 3_666 ?
S11 Ag0A Ag35 62.5(4) . . ?
S11 Ag0A S14 173.9(5) . . ?
S14 Ag0A Ag8 52.68(17) . . ?
S14 Ag0A Ag17 126.6(3) . 3_666 ?
S14 Ag0A Ag35 112.8(4) . . ?
Ag16 Ag1 Ag1B 76.61(10) . . ?
Ag16 Ag1 S18 112.56(10) . . ?
S14 Ag1 Ag1B 76.67(12) . . ?
S14 Ag1 Ag16 78.16(13) . . ?
S14 Ag1 S18 101.54(12) . . ?
S18 Ag1 Ag1B 40.40(9) . . ?
S21 Ag1 Ag1B 77.50(11) . . ?
S21 Ag1 Ag16 50.84(7) . . ?
S21 Ag1 S14 126.76(15) . . ?
S21 Ag1 S18 87.10(12) . . ?
P2 Ag1 Ag1B 151.98(19) . . ?
P2 Ag1 Ag16 126.20(13) . . ?
P2 Ag1 S14 120.45(14) . . ?
P2 Ag1 S18 111.65(17) . . ?
P2 Ag1 S21 103.55(14) . . ?
Ag18 Ag1A Ag16 57.44(3) . . ?
Ag18 Ag1A Ag20 124.11(4) . . ?
Ag18 Ag1A Ag23 56.47(3) . . ?
Ag20 Ag1A Ag16 68.02(3) . . ?
Ag20 Ag1A Ag23 129.67(4) . . ?
Ag23 Ag1A Ag16 82.78(3) . . ?
S8 Ag1A Ag16 134.29(6) 3_666 . ?
S8 Ag1A Ag18 76.87(5) 3_666 . ?
S8 Ag1A Ag20 155.91(6) 3_666 . ?
S8 Ag1A Ag23 70.07(5) 3_666 . ?
S13 Ag1A Ag16 68.15(6) . . ?
S13 Ag1A Ag18 47.78(6) . . ?
S13 Ag1A Ag20 102.44(5) . . ?
S13 Ag1A Ag23 103.30(6) . . ?
S13 Ag1A S8 82.83(7) . 3_666 ?
S14 Ag1A Ag16 75.90(8) . . ?
S14 Ag1A Ag18 93.82(7) . . ?
S14 Ag1A Ag20 83.63(6) . . ?
S14 Ag1A Ag23 48.97(5) . . ?
S14 Ag1A S8 108.54(8) . 3_666 ?
S14 Ag1A S13 137.52(10) . . ?
S14 Ag1A S18 116.76(8) . . ?
S18 Ag1A Ag16 109.09(6) . . ?
S18 Ag1A Ag18 143.60(6) . . ?
S18 Ag1A Ag20 47.85(6) . . ?
S18 Ag1A Ag23 159.88(6) . . ?
S18 Ag1A S8 108.53(8) . 3_666 ?
S18 Ag1A S13 96.31(7) . . ?
Ag6 Ag1B Ag1 163.47(15) 3_666 . ?
Ag6 Ag1B Ag22 85.85(11) 3_666 . ?
Ag22 Ag1B Ag1 89.58(12) . . ?
S8 Ag1B Ag1 128.47(19) 3_666 . ?
S8 Ag1B Ag6 52.21(8) 3_666 3_666 ?
S8 Ag1B Ag22 137.59(15) 3_666 . ?
S13 Ag1B Ag1 106.26(17) . . ?
S13 Ag1B Ag6 58.68(10) . 3_666 ?
S13 Ag1B Ag22 52.76(11) . . ?
S13 Ag1B S8 93.91(14) . 3_666 ?
S18 Ag1B Ag1 61.54(14) . . ?
S18 Ag1B Ag6 133.3(2) . 3_666 ?
S18 Ag1B Ag22 83.36(14) . . ?
S18 Ag1B S8 128.09(18) . 3_666 ?
S18 Ag1B S13 135.5(2) . . ?
Ag3A Ag2A Ag4A 115.93(6) 3_666 . ?
Ag3A Ag2A Ag7 92.47(6) 3_666 . ?
Ag3A Ag2A Ag10 71.44(5) 3_666 3_666 ?
Ag4A Ag2A Ag7 60.35(4) . . ?
Ag4A Ag2A Ag10 69.38(4) . 3_666 ?
Ag7 Ag2A Ag10 112.40(5) . 3_666 ?
S11 Ag2A Ag3A 152.34(10) . 3_666 ?
S11 Ag2A Ag4A 91.11(9) . . ?
S11 Ag2A Ag7 106.88(9) . . ?
S11 Ag2A Ag10 116.57(10) . 3_666 ?
S11 Ag2A S15 95.62(12) . . ?
S11 Ag2A S17 145.43(13) . 3_666 ?
S15 Ag2A Ag3A 56.84(10) . 3_666 ?
S15 Ag2A Ag4A 170.61(11) . . ?
S15 Ag2A Ag7 123.27(12) . . ?
S15 Ag2A Ag10 101.66(10) . 3_666 ?
S17 Ag2A Ag3A 61.90(8) 3_666 3_666 ?
S17 Ag2A Ag4A 54.32(7) 3_666 . ?
S17 Ag2A Ag7 58.67(6) 3_666 . ?
S17 Ag2A Ag10 55.94(6) 3_666 3_666 ?
S17 Ag2A S15 118.73(13) 3_666 . ?
Ag12 Ag2B Ag12 106.73(5) 3_666 . ?
Ag12 Ag2B Ag15 69.02(4) 3_666 . ?
Ag12 Ag2B Ag17 152.60(6) 3_666 3_666 ?
Ag15 Ag2B Ag12 162.02(6) . . ?
Ag17 Ag2B Ag12 70.57(4) 3_666 . ?
Ag17 Ag2B Ag15 104.77(5) 3_666 . ?
Ag18 Ag2B Ag12 105.86(6) . . ?
Ag18 Ag2B Ag12 98.04(5) . 3_666 ?
Ag18 Ag2B Ag15 58.91(4) . . ?
Ag18 Ag2B Ag17 58.58(4) . 3_666 ?
S11 Ag2B Ag12 123.43(9) . . ?
S11 Ag2B Ag12 126.72(9) . 3_666 ?
S11 Ag2B Ag15 57.71(8) . . ?
S11 Ag2B Ag17 53.70(7) . 3_666 ?
S11 Ag2B Ag18 54.39(7) . . ?
Ag3C Ag2C Ag3C 84.6(4) 3_666 . ?
Ag3C Ag2C Ag10 103.2(3) . . ?
Ag3C Ag2C Ag10 128.4(3) 3_666 . ?
Ag3C Ag2C Ag12 62.1(2) . . ?
Ag3C Ag2C Ag12 60.6(2) 3_666 . ?
Ag10 Ag2C Ag12 76.62(17) . 3_666 ?
Ag10 Ag2C Ag12 163.7(3) . . ?
Ag12 Ag2C Ag12 99.5(2) 3_666 . ?
S17 Ag2C Ag3C 169.5(4) . 3_666 ?
S17 Ag2C Ag3C 104.4(3) . . ?
S17 Ag2C Ag10 55.44(14) . . ?
S17 Ag2C Ag12 125.0(3) . 3_666 ?
S17 Ag2C Ag12 118.6(3) . . ?
Ag3B Ag3 Ag14 62.45(9) 3_666 . ?
Ag3B Ag3 Ag25 125.58(8) 3_666 . ?
Ag14 Ag3 Ag25 64.97(2) . . ?
Ag22 Ag3 Ag3B 56.36(8) . 3_666 ?
Ag22 Ag3 Ag14 81.15(3) . . ?
Ag22 Ag3 Ag25 126.87(3) . . ?
S1 Ag3 Ag3B 137.62(9) . 3_666 ?
S1 Ag3 Ag14 105.39(5) . . ?
S1 Ag3 Ag22 166.01(5) . . ?
S1 Ag3 Ag25 49.53(5) . . ?
S1 Ag3 S6 111.21(7) . . ?
S1 Ag3 S17 102.57(7) . . ?
S6 Ag3 Ag3B 72.88(9) . 3_666 ?
S6 Ag3 Ag14 134.99(5) . . ?
S6 Ag3 Ag22 69.52(5) . . ?
S6 Ag3 Ag25 159.26(5) . . ?
S16 Ag3 Ag3B 100.34(10) . 3_666 ?
S16 Ag3 Ag14 78.88(6) . . ?
S16 Ag3 Ag22 50.64(5) . . ?
S16 Ag3 Ag25 82.24(6) . . ?
S16 Ag3 S1 117.68(7) . . ?
S16 Ag3 S6 105.16(8) . . ?
S16 Ag3 S17 130.00(8) . . ?
S17 Ag3 Ag3B 35.08(10) . 3_666 ?
S17 Ag3 Ag14 62.01(6) . . ?
S17 Ag3 Ag22 91.42(6) . . ?
S17 Ag3 Ag25 105.52(5) . . ?
S17 Ag3 S6 84.80(7) . . ?
Ag2A Ag3A Ag6 115.98(5) 3_666 3_666 ?
Ag2A Ag3A Ag13 120.94(6) 3_666 . ?
Ag2A Ag3A Ag18 158.17(5) 3_666 . ?
Ag6 Ag3A Ag18 74.41(3) 3_666 . ?
Ag13 Ag3A Ag6 109.73(3) . 3_666 ?
Ag13 Ag3A Ag18 68.00(3) . . ?
S13 Ag3A Ag2A 155.09(8) . 3_666 ?
S13 Ag3A Ag6 55.49(6) . 3_666 ?
S13 Ag3A Ag13 55.29(6) . . ?
S13 Ag3A Ag18 46.73(6) . . ?
S13 Ag3A S15 143.71(12) . 3_666 ?
S13 Ag3A S17 102.74(8) . . ?
S15 Ag3A Ag2A 60.75(10) 3_666 3_666 ?
S15 Ag3A Ag2A 84.21(11) . 3_666 ?
S15 Ag3A Ag6 105.76(12) . 3_666 ?
S15 Ag3A Ag6 116.69(11) 3_666 3_666 ?
S15 Ag3A Ag13 117.23(11) . . ?
S15 Ag3A Ag13 125.13(10) 3_666 . ?
S15 Ag3A Ag18 97.56(10) 3_666 . ?
S15 Ag3A Ag18 74.27(11) . . ?
S15 Ag3A S13 120.11(13) . . ?
S15 Ag3A S15 23.60(19) . 3_666 ?
S15 Ag3A S17 136.85(12) . . ?
S15 Ag3A S17 113.41(11) 3_666 . ?
S17 Ag3A Ag2A 52.66(6) . 3_666 ?
S17 Ag3A Ag6 93.68(6) . 3_666 ?
S17 Ag3A Ag13 90.29(6) . . ?
S17 Ag3A Ag18 148.85(6) . . ?
Ag3 Ag3B Ag10 70.74(9) 3_666 3_666 ?
Ag3 Ag3B Ag14 59.06(8) 3_666 3_666 ?
Ag6 Ag3B Ag3 123.95(15) . 3_666 ?
Ag6 Ag3B Ag10 162.80(15) . 3_666 ?
Ag6 Ag3B Ag14 70.64(10) . 3_666 ?
Ag10 Ag3B Ag14 116.96(13) 3_666 3_666 ?
Ag13 Ag3B Ag3 90.21(11) 3_666 3_666 ?
Ag13 Ag3B Ag6 118.40(15) 3_666 . ?
Ag13 Ag3B Ag10 66.48(9) 3_666 3_666 ?
Ag13 Ag3B Ag14 141.07(14) 3_666 3_666 ?
Ag22 Ag3B Ag3 59.87(8) 3_666 3_666 ?
Ag22 Ag3B Ag6 90.89(13) 3_666 . ?
Ag22 Ag3B Ag10 105.29(12) 3_666 3_666 ?
Ag22 Ag3B Ag13 61.87(9) 3_666 3_666 ?
Ag22 Ag3B Ag14 81.07(11) 3_666 3_666 ?
S13 Ag3B Ag3 115.41(16) 3_666 3_666 ?
S13 Ag3B Ag6 59.25(12) 3_666 . ?
S13 Ag3B Ag10 125.80(18) 3_666 3_666 ?
S13 Ag3B Ag13 59.92(12) 3_666 3_666 ?
S13 Ag3B Ag14 109.48(18) 3_666 3_666 ?
S13 Ag3B Ag22 55.55(11) 3_666 3_666 ?
S17 Ag3B Ag3 56.35(12) 3_666 3_666 ?
S17 Ag3B Ag6 122.6(2) 3_666 . ?
S17 Ag3B Ag10 55.32(14) 3_666 3_666 ?
S17 Ag3B Ag13 119.0(2) 3_666 3_666 ?
S17 Ag3B Ag14 65.66(15) 3_666 3_666 ?
S17 Ag3B Ag22 116.18(19) 3_666 3_666 ?
S17 Ag3B S13 171.6(2) 3_666 3_666 ?
Ag2C Ag3C Ag2C 95.4(4) 3_666 . ?
Ag2C Ag3C Ag12 63.8(2) . . ?
Ag2C Ag3C Ag12 65.7(2) 3_666 . ?
Ag12 Ag3C Ag12 104.7(3) 3_666 . ?
Ag12 Ag3C Ag17 145.0(3) 3_666 3_666 ?
Ag17 Ag3C Ag12 71.41(14) 3_666 . ?
S13 Ag3C Ag2C 166.3(5) . 3_666 ?
S13 Ag3C Ag2C 97.7(3) . . ?
S13 Ag3C Ag12 117.2(3) . . ?
S13 Ag3C Ag12 121.4(2) . 3_666 ?
S13 Ag3C Ag17 88.8(3) . 3_666 ?
S12 Ag4 Ag22 77.91(7) . . ?
S12 Ag4 S16 92.21(8) . . ?
S16 Ag4 Ag22 47.01(5) . . ?
S18 Ag4 Ag22 74.13(5) . . ?
S18 Ag4 S12 98.70(8) . . ?
S18 Ag4 S16 115.95(8) . . ?
P1 Ag4 Ag22 148.87(7) . . ?
P1 Ag4 S12 120.26(9) . . ?
P1 Ag4 S16 103.99(8) . . ?
P1 Ag4 S18 122.35(8) . . ?
Ag2A Ag4A Ag7 63.50(4) . . ?
Ag2A Ag4A Ag9 76.72(5) . . ?
Ag2A Ag4A Ag10 60.03(4) . 3_666 ?
Ag2A Ag4A Ag11 145.91(5) . . ?
Ag7 Ag4A Ag9 136.90(4) . . ?
Ag7 Ag4A Ag10 107.85(3) . 3_666 ?
Ag7 Ag4A Ag11 147.39(4) . . ?
Ag9 Ag4A Ag10 61.02(3) . 3_666 ?
Ag11 Ag4A Ag9 75.64(3) . . ?
Ag11 Ag4A Ag10 89.02(3) . 3_666 ?
S3 Ag4A Ag2A 130.80(7) . . ?
S3 Ag4A Ag7 121.59(6) . . ?
S3 Ag4A Ag9 72.88(6) . . ?
S3 Ag4A Ag10 128.53(6) . 3_666 ?
S3 Ag4A Ag11 56.96(5) . . ?
S17 Ag4A Ag2A 55.33(6) 3_666 . ?
S17 Ag4A Ag7 60.32(6) 3_666 . ?
S17 Ag4A Ag9 109.99(6) 3_666 . ?
S17 Ag4A Ag10 51.94(6) 3_666 3_666 ?
S17 Ag4A Ag11 117.92(6) 3_666 . ?
S17 Ag4A S3 173.83(8) 3_666 . ?
Ag5A Ag4B Ag35 92.7(4) 3_666 . ?
Ag9 Ag4B Ag5A 148.8(3) . 3_666 ?
Ag9 Ag4B Ag35 118.3(4) . . ?
S3 Ag4B Ag5A 90.8(4) . 3_666 ?
S3 Ag4B Ag9 85.11(17) . . ?
S3 Ag4B Ag35 104.7(3) . . ?
S11 Ag4B Ag5A 114.1(3) . 3_666 ?
S11 Ag4B Ag9 83.0(2) . . ?
S11 Ag4B Ag35 56.7(3) . . ?
S11 Ag4B S3 147.9(3) . . ?
S3 Ag5 Ag19 71.61(5) . . ?
S9 Ag5 Ag19 80.47(6) . . ?
S9 Ag5 S3 103.58(7) . . ?
S9 Ag5 S22 95.06(8) . . ?
S22 Ag5 Ag19 47.98(6) . . ?
S22 Ag5 S3 112.08(8) . . ?
P3 Ag5 Ag19 157.89(6) . . ?
P3 Ag5 S3 114.32(7) . . ?
P3 Ag5 S9 116.62(8) . . ?
P3 Ag5 S22 113.35(8) . . ?
Ag4B Ag5A Ag14 128.2(4) 3_666 . ?
S2 Ag5A Ag4B 133.7(5) . 3_666 ?
S2 Ag5A Ag14 46.4(2) . . ?
S4 Ag5A Ag4B 72.3(3) 3_666 3_666 ?
S4 Ag5A Ag14 144.7(6) 3_666 . ?
S4 Ag5A S2 143.9(6) 3_666 . ?
S7 Ag6 Ag1B 166.53(10) . 3_666 ?
S7 Ag6 Ag3A 74.82(6) . 3_666 ?
S7 Ag6 Ag3B 81.25(10) . . ?
S7 Ag6 S8 134.97(7) . . ?
S7 Ag6 S12 103.76(7) . 3_666 ?
S7 Ag6 S13 125.11(8) . 3_666 ?
S8 Ag6 Ag1B 57.28(9) . 3_666 ?
S8 Ag6 Ag3A 119.03(7) . 3_666 ?
S8 Ag6 Ag3B 132.70(10) . . ?
S8 Ag6 S12 106.03(7) . 3_666 ?
S8 Ag6 S13 86.30(7) . 3_666 ?
S12 Ag6 Ag1B 73.55(10) 3_666 3_666 ?
S12 Ag6 Ag3A 115.98(7) 3_666 3_666 ?
S12 Ag6 Ag3B 87.30(10) 3_666 . ?
S13 Ag6 Ag1B 43.16(9) 3_666 3_666 ?
S13 Ag6 Ag3A 51.20(5) 3_666 3_666 ?
S13 Ag6 Ag3B 47.21(10) 3_666 . ?
S13 Ag6 S12 92.79(8) 3_666 3_666 ?
Ag4A Ag7 Ag2A 56.16(4) . . ?
Ag4A Ag7 Ag14 97.41(3) . 3_666 ?
Ag14 Ag7 Ag2A 111.40(4) 3_666 . ?
S2 Ag7 Ag2A 131.87(6) 3_666 . ?
S2 Ag7 Ag4A 80.21(5) 3_666 . ?
S2 Ag7 Ag14 50.59(5) 3_666 3_666 ?
S4 Ag7 Ag2A 86.92(6) . . ?
S4 Ag7 Ag4A 87.34(6) . . ?
S4 Ag7 Ag14 160.57(6) . 3_666 ?
S4 Ag7 S2 112.44(7) . 3_666 ?
S4 Ag7 S7 107.45(7) . . ?
S4 Ag7 S17 130.32(8) . 3_666 ?
S7 Ag7 Ag2A 83.40(7) . . ?
S7 Ag7 Ag4A 136.52(6) . . ?
S7 Ag7 Ag14 81.98(5) . 3_666 ?
S7 Ag7 S2 126.41(7) . 3_666 ?
S7 Ag7 S17 92.77(8) . 3_666 ?
S17 Ag7 Ag2A 50.11(5) 3_666 . ?
S17 Ag7 Ag4A 50.43(6) 3_666 . ?
S17 Ag7 Ag14 64.22(6) 3_666 3_666 ?
S17 Ag7 S2 87.74(6) 3_666 3_666 ?
Ag35 Ag8 Ag0A 51.4(3) . . ?
S10 Ag8 Ag0A 62.55(19) . . ?
S10 Ag8 Ag35 50.9(4) . . ?
S10 Ag8 S14 89.67(9) . . ?
S10 Ag8 S22 105.29(8) . . ?
S14 Ag8 Ag0A 47.91(15) . . ?
S14 Ag8 Ag35 99.3(3) . . ?
S22 Ag8 Ag0A 81.37(17) . . ?
S22 Ag8 Ag35 55.3(4) . . ?
S22 Ag8 S14 111.95(9) . . ?
P6 Ag8 Ag0A 163.3(3) . . ?
P6 Ag8 Ag35 141.8(4) . . ?
P6 Ag8 S10 115.3(3) . . ?
P6 Ag8 S14 117.3(3) . . ?
P6 Ag8 S22 114.3(3) . . ?
P7 Ag8 S10 122.96(17) . . ?
P7 Ag8 S14 104.34(19) . . ?
P7 Ag8 S22 118.66(15) . . ?
Ag17 Ag9 Ag4A 107.23(3) 3_666 . ?
S9 Ag9 Ag4A 116.75(6) . . ?
S9 Ag9 Ag4B 89.36(14) . . ?
S9 Ag9 Ag17 74.23(6) . 3_666 ?
S20 Ag9 Ag4A 72.07(6) . . ?
S20 Ag9 Ag4B 101.59(15) . . ?
S20 Ag9 Ag17 137.82(7) . 3_666 ?
S20 Ag9 S9 145.40(9) . . ?
Ag2A Ag10 Ag3B 60.78(8) 3_666 3_666 ?
Ag2A Ag10 Ag4A 50.59(4) 3_666 3_666 ?
Ag2A Ag10 Ag13 103.46(5) 3_666 . ?
Ag2C Ag10 Ag13 85.91(17) . . ?
Ag3B Ag10 Ag13 52.19(8) 3_666 . ?
Ag4A Ag10 Ag13 129.37(3) 3_666 . ?
S5 Ag10 Ag2A 77.64(6) . 3_666 ?
S5 Ag10 Ag2C 74.44(15) . . ?
S5 Ag10 Ag3B 118.12(9) . 3_666 ?
S5 Ag10 Ag4A 109.37(6) . 3_666 ?
S5 Ag10 Ag13 103.71(6) . . ?
S5 Ag10 S6 135.75(8) . . ?
S5 Ag10 S17 125.93(7) . . ?
S5 Ag10 S20 93.83(7) . 3_666 ?
S6 Ag10 Ag2A 134.23(7) . 3_666 ?
S6 Ag10 Ag2C 124.36(17) . . ?
S6 Ag10 Ag3B 74.21(9) . 3_666 ?
S6 Ag10 Ag4A 114.83(6) . 3_666 ?
S6 Ag10 Ag13 47.60(5) . . ?
S6 Ag10 S17 88.87(7) . . ?
S6 Ag10 S20 100.68(7) . 3_666 ?
S17 Ag10 Ag2A 48.85(5) . 3_666 ?
S17 Ag10 Ag2C 52.63(14) . . ?
S17 Ag10 Ag3B 33.77(10) . 3_666 ?
S17 Ag10 Ag4A 44.98(6) . 3_666 ?
S17 Ag10 Ag13 84.56(6) . . ?
S17 Ag10 S20 107.81(8) . 3_666 ?
S20 Ag10 Ag2A 107.86(6) 3_666 3_666 ?
S20 Ag10 Ag2C 126.43(18) 3_666 . ?
S20 Ag10 Ag3B 139.61(9) 3_666 3_666 ?
S20 Ag10 Ag4A 67.47(5) 3_666 3_666 ?
S20 Ag10 Ag13 146.70(5) 3_666 . ?
S1 Ag11 Ag4A 78.35(5) 3_666 . ?
S1 Ag11 S3 113.83(7) 3_666 . ?
S3 Ag11 Ag4A 48.32(5) . . ?
S20 Ag11 Ag4A 74.82(6) . . ?
S20 Ag11 S1 105.98(7) . 3_666 ?
S20 Ag11 S3 95.71(7) . . ?
P5 Ag11 Ag4A 148.25(6) . . ?
P5 Ag11 S1 114.13(7) . 3_666 ?
P5 Ag11 S3 101.31(7) . . ?
P5 Ag11 S20 124.36(9) . . ?
Ag2B Ag12 Ag2B 73.27(5) 3_666 . ?
Ag2C Ag12 Ag2C 80.5(2) 3_666 . ?
Ag3C Ag12 Ag2C 54.2(2) . . ?
Ag3C Ag12 Ag2C 51.27(18) 3_666 . ?
Ag3C Ag12 Ag3C 75.3(3) 3_666 . ?
S5 Ag12 Ag2B 71.59(6) 3_666 . ?
S5 Ag12 Ag2B 142.78(6) 3_666 3_666 ?
S5 Ag12 Ag2C 67.85(16) 3_666 3_666 ?
S5 Ag12 Ag2C 140.92(16) 3_666 . ?
S5 Ag12 Ag3C 118.35(19) 3_666 3_666 ?
S5 Ag12 Ag3C 87.34(18) 3_666 . ?
S5 Ag12 S19 101.43(7) 3_666 3_666 ?
S7 Ag12 Ag2B 118.06(6) 3_666 . ?
S7 Ag12 Ag2B 88.91(6) 3_666 3_666 ?
S7 Ag12 Ag2C 72.36(13) 3_666 . ?
S7 Ag12 Ag2C 139.29(12) 3_666 3_666 ?
S7 Ag12 Ag3C 89.13(15) 3_666 . ?
S7 Ag12 Ag3C 119.87(16) 3_666 3_666 ?
S7 Ag12 S5 118.39(8) 3_666 3_666 ?
S7 Ag12 S15 106.43(11) 3_666 3_666 ?
S7 Ag12 S15 107.43(11) 3_666 . ?
S7 Ag12 S19 110.90(7) 3_666 3_666 ?
S15 Ag12 Ag2B 49.72(10) . 3_666 ?
S15 Ag12 Ag2B 28.55(10) 3_666 3_666 ?
S15 Ag12 Ag2C 47.40(17) 3_666 3_666 ?
S15 Ag12 Ag2C 35.14(15) . 3_666 ?
S15 Ag12 Ag3C 49.0(2) . 3_666 ?
S15 Ag12 Ag3C 29.11(18) 3_666 3_666 ?
S15 Ag12 S5 114.55(11) 3_666 3_666 ?
S15 Ag12 S5 95.64(11) . 3_666 ?
S15 Ag12 S15 22.99(18) . 3_666 ?
S15 Ag12 S19 122.86(12) . 3_666 ?
S15 Ag12 S19 104.21(11) 3_666 3_666 ?
S19 Ag12 Ag2B 90.29(7) 3_666 3_666 ?
S19 Ag12 Ag2B 127.45(7) 3_666 . ?
S19 Ag12 Ag2C 106.39(13) 3_666 3_666 ?
S19 Ag12 Ag2C 109.31(15) 3_666 . ?
S19 Ag12 Ag3C 75.21(17) 3_666 3_666 ?
S19 Ag12 Ag3C 149.85(17) 3_666 . ?
Ag3A Ag13 Ag10 64.07(3) . . ?
Ag3A Ag13 Ag16 110.20(4) . . ?
Ag3B Ag13 Ag10 61.33(9) 3_666 . ?
Ag3B Ag13 Ag16 118.07(9) 3_666 . ?
Ag3B Ag13 Ag22 58.91(9) 3_666 . ?
Ag16 Ag13 Ag10 170.13(4) . . ?
Ag22 Ag13 Ag3A 84.57(3) . . ?
Ag22 Ag13 Ag10 99.91(3) . . ?
Ag22 Ag13 Ag16 87.16(3) . . ?
S6 Ag13 Ag3A 101.76(6) . . ?
S6 Ag13 Ag3B 80.95(10) . 3_666 ?
S6 Ag13 Ag10 48.67(5) . . ?
S6 Ag13 Ag16 140.89(6) . . ?
S6 Ag13 Ag22 73.76(6) . . ?
S6 Ag13 S13 117.92(8) . . ?
S6 Ag13 S19 124.36(8) . . ?
S13 Ag13 Ag3A 51.88(5) . . ?
S13 Ag13 Ag3B 48.40(10) . 3_666 ?
S13 Ag13 Ag10 109.30(5) . . ?
S13 Ag13 Ag16 69.72(5) . . ?
S13 Ag13 Ag22 51.73(6) . . ?
S19 Ag13 Ag3A 89.55(6) . . ?
S19 Ag13 Ag3B 118.32(10) . 3_666 ?
S19 Ag13 Ag10 92.89(6) . . ?
S19 Ag13 Ag16 78.74(6) . . ?
S19 Ag13 Ag22 161.82(7) . . ?
S19 Ag13 S13 111.76(8) . . ?
Ag3 Ag14 Ag3B 58.49(7) . 3_666 ?
Ag3 Ag14 Ag5A 91.5(2) . . ?
Ag3B Ag14 Ag5A 83.5(2) 3_666 . ?
Ag7 Ag14 Ag3 98.67(3) 3_666 . ?
Ag7 Ag14 Ag3B 73.96(8) 3_666 3_666 ?
S2 Ag14 Ag3 90.62(5) . . ?
S2 Ag14 Ag3B 120.87(10) . 3_666 ?
S2 Ag14 Ag5A 45.1(2) . . ?
S2 Ag14 Ag7 61.70(5) . 3_666 ?
S12 Ag14 Ag3 111.60(7) . . ?
S12 Ag14 Ag3B 87.06(10) . 3_666 ?
S12 Ag14 Ag5A 145.3(2) . . ?
S12 Ag14 Ag7 128.21(6) . 3_666 ?
S12 Ag14 S2 151.29(9) . . ?
Ag18 Ag15 Ag2B 51.30(4) . . ?
Ag18 Ag15 Ag19 85.43(3) . . ?
Ag35 Ag15 Ag2B 101.7(4) . . ?
Ag35 Ag15 Ag18 85.5(3) . . ?
Ag35 Ag15 S10 54.0(4) . . ?
Ag35 Ag15 S11 57.6(4) . . ?
S4 Ag15 Ag2B 98.48(6) . . ?
S4 Ag15 Ag18 129.12(6) . . ?
S4 Ag15 Ag19 51.14(6) . . ?
S4 Ag15 Ag35 58.8(4) . . ?
S4 Ag15 S10 102.64(7) . . ?
S4 Ag15 S11 81.89(7) . . ?
S10 Ag15 Ag2B 127.37(8) . . ?
S10 Ag15 Ag18 78.53(7) . . ?
S10 Ag15 Ag19 67.78(5) . . ?
S10 Ag15 S11 91.58(8) . . ?
S11 Ag15 Ag2B 44.72(5) . . ?
S11 Ag15 Ag18 47.41(5) . . ?
S11 Ag15 Ag19 48.94(5) . . ?
S19 Ag15 Ag2B 86.38(6) . . ?
S19 Ag15 Ag18 79.32(7) . . ?
S19 Ag15 Ag19 162.47(7) . . ?
S19 Ag15 Ag35 152.8(4) . . ?
S19 Ag15 S4 146.38(9) . . ?
S19 Ag15 S10 100.44(7) . . ?
S19 Ag15 S11 121.63(8) . . ?
Ag1 Ag16 Ag13 119.74(8) . . ?
Ag1 Ag16 Ag18 109.70(7) . . ?
Ag13 Ag16 Ag1A 95.90(3) . . ?
Ag18 Ag16 Ag1A 58.85(3) . . ?
Ag18 Ag16 Ag13 69.60(3) . . ?
S10 Ag16 Ag1 113.66(11) . . ?
S10 Ag16 Ag1A 111.54(7) . . ?
S10 Ag16 Ag13 125.95(7) . . ?
S10 Ag16 Ag18 85.75(6) . . ?
S21 Ag16 Ag1 61.69(10) . . ?
S21 Ag16 Ag1A 83.76(6) . . ?
S21 Ag16 Ag13 66.55(6) . . ?
S21 Ag16 Ag18 117.43(6) . . ?
S21 Ag16 S10 156.79(8) . . ?
Ag9 Ag17 Ag0A 94.68(18) 3_666 3_666 ?
Ag9 Ag17 Ag2B 92.13(4) 3_666 3_666 ?
Ag9 Ag17 Ag3C 122.06(15) 3_666 3_666 ?
Ag18 Ag17 Ag0A 42.3(2) 3_666 3_666 ?
Ag18 Ag17 Ag2B 52.90(3) 3_666 3_666 ?
Ag18 Ag17 Ag3C 36.71(18) 3_666 3_666 ?
Ag18 Ag17 Ag9 120.88(4) 3_666 3_666 ?
Ag18 Ag17 Ag23 59.70(3) 3_666 3_666 ?
Ag23 Ag17 Ag0A 17.66(19) 3_666 3_666 ?
Ag23 Ag17 Ag2B 97.73(4) 3_666 3_666 ?
Ag23 Ag17 Ag3C 95.59(18) 3_666 3_666 ?
Ag23 Ag17 Ag9 85.59(3) 3_666 3_666 ?
S5 Ag17 Ag0A 149.98(17) . 3_666 ?
S5 Ag17 Ag2B 75.70(6) . 3_666 ?
S5 Ag17 Ag3C 92.28(17) . 3_666 ?
S5 Ag17 Ag9 66.39(5) . 3_666 ?
S5 Ag17 Ag18 127.16(7) . 3_666 ?
S5 Ag17 Ag23 150.63(6) . 3_666 ?
S5 Ag17 S11 104.55(8) . 3_666 ?
S8 Ag17 Ag0A 80.73(16) . 3_666 ?
S8 Ag17 Ag2B 128.17(7) . 3_666 ?
S8 Ag17 Ag3C 98.23(15) . 3_666 ?
S8 Ag17 Ag9 137.73(7) . 3_666 ?
S8 Ag17 Ag18 83.11(6) . 3_666 ?
S8 Ag17 Ag23 77.67(6) . 3_666 ?
S8 Ag17 S5 129.08(8) . . ?
S8 Ag17 S11 124.64(8) . 3_666 ?
S11 Ag17 Ag0A 45.70(17) 3_666 3_666 ?
S11 Ag17 Ag2B 46.88(6) 3_666 3_666 ?
S11 Ag17 Ag3C 63.08(18) 3_666 3_666 ?
S11 Ag17 Ag9 71.15(6) 3_666 3_666 ?
S11 Ag17 Ag18 49.91(6) 3_666 3_666 ?
S11 Ag17 Ag23 55.47(6) 3_666 3_666 ?
Ag0A Ag18 Ag2B 113.7(2) . . ?
Ag0A Ag18 Ag15 87.8(2) . . ?
Ag0A Ag18 Ag16 80.2(2) . . ?
Ag0A Ag18 S11 59.3(2) . . ?
Ag0A Ag18 S13 123.3(2) . . ?
Ag1A Ag18 Ag3A 106.96(3) . . ?
Ag2B Ag18 Ag15 69.79(4) . . ?
Ag2B Ag18 Ag16 142.28(5) . . ?
Ag15 Ag18 Ag1A 134.65(4) . . ?
Ag15 Ag18 Ag3A 106.14(4) . . ?
Ag16 Ag18 Ag1A 63.72(3) . . ?
Ag16 Ag18 Ag3A 110.11(3) . . ?
Ag16 Ag18 Ag15 76.28(3) . . ?
Ag17 Ag18 Ag1A 87.61(3) 3_666 . ?
Ag17 Ag18 Ag3A 93.90(3) 3_666 . ?
Ag17 Ag18 Ag15 119.99(3) 3_666 . ?
Ag17 Ag18 Ag16 146.54(4) 3_666 . ?
Ag23 Ag18 Ag1A 64.15(3) . . ?
Ag23 Ag18 Ag3A 151.98(4) . . ?
Ag23 Ag18 Ag15 97.11(4) . . ?
Ag23 Ag18 Ag16 90.23(3) . . ?
Ag23 Ag18 Ag17 60.37(3) . 3_666 ?
S11 Ag18 Ag1A 121.53(7) . . ?
S11 Ag18 Ag2B 54.87(6) . . ?
S11 Ag18 Ag3A 120.03(6) . . ?
S11 Ag18 Ag15 62.86(7) . . ?
S11 Ag18 Ag16 121.43(7) . . ?
S11 Ag18 Ag17 58.19(7) . 3_666 ?
S11 Ag18 Ag23 57.91(6) . . ?
S13 Ag18 Ag1A 57.34(6) . . ?
S13 Ag18 Ag2B 116.88(7) . . ?
S13 Ag18 Ag3A 51.77(6) . . ?
S13 Ag18 Ag15 132.56(7) . . ?
S13 Ag18 Ag16 75.43(6) . . ?
S13 Ag18 Ag17 104.40(7) . 3_666 ?
S13 Ag18 Ag23 120.16(7) . . ?
S13 Ag18 S11 161.92(9) . . ?
Ag5 Ag19 Ag15 160.51(4) . . ?
Ag5 Ag19 Ag23 80.74(3) . . ?
Ag23 Ag19 Ag15 87.42(4) . . ?
S4 Ag19 Ag5 135.22(6) . . ?
S4 Ag19 Ag15 48.95(5) . . ?
S4 Ag19 Ag23 133.85(6) . . ?
S11 Ag19 Ag5 102.77(7) . . ?
S11 Ag19 Ag15 57.84(7) . . ?
S11 Ag19 Ag23 52.34(6) . . ?
S11 Ag19 S4 86.85(8) . . ?
S22 Ag19 Ag5 54.70(6) . . ?
S22 Ag19 Ag15 138.10(7) . . ?
S22 Ag19 Ag23 79.64(7) . . ?
S22 Ag19 S4 141.13(9) . . ?
S22 Ag19 S11 131.02(9) . . ?
S18 Ag20 Ag1A 54.48(5) . . ?
S18 Ag20 S21 101.62(8) . . ?
S21 Ag20 Ag1A 81.92(5) . . ?
P2 Ag20 Ag1A 136.82(8) . . ?
P2 Ag20 S18 142.70(10) . . ?
P2 Ag20 S21 114.57(9) . . ?
Ag1B Ag22 Ag4 68.75(8) . . ?
Ag3 Ag22 Ag1B 141.76(9) . . ?
Ag3 Ag22 Ag4 101.18(3) . . ?
Ag3B Ag22 Ag1B 86.73(11) 3_666 . ?
Ag3B Ag22 Ag3 63.77(9) 3_666 . ?
Ag3B Ag22 Ag4 115.48(10) 3_666 . ?
Ag3B Ag22 Ag13 59.22(9) 3_666 . ?
Ag13 Ag22 Ag1B 94.15(8) . . ?
Ag13 Ag22 Ag3 90.96(3) . . ?
Ag13 Ag22 Ag4 162.76(4) . . ?
S13 Ag22 Ag1B 43.66(9) . . ?
S13 Ag22 Ag3 113.46(6) . . ?
S13 Ag22 Ag3B 49.69(10) . 3_666 ?
S13 Ag22 Ag4 106.28(7) . . ?
S13 Ag22 Ag13 57.16(6) . . ?
S13 Ag22 S21 84.41(7) . . ?
S16 Ag22 Ag1B 123.60(10) . . ?
S16 Ag22 Ag3 55.46(5) . . ?
S16 Ag22 Ag3B 111.02(11) . 3_666 ?
S16 Ag22 Ag4 55.14(6) . . ?
S16 Ag22 Ag13 141.50(7) . . ?
S16 Ag22 S13 148.38(10) . . ?
S16 Ag22 S21 124.91(8) . . ?
S21 Ag22 Ag1B 78.81(10) . . ?
S21 Ag22 Ag3 136.35(7) . . ?
S21 Ag22 Ag3B 120.67(11) . 3_666 ?
S21 Ag22 Ag4 111.79(6) . . ?
S21 Ag22 Ag13 64.85(6) . . ?
Ag1A Ag23 Ag19 136.02(5) . . ?
Ag17 Ag23 Ag1A 84.85(3) 3_666 . ?
Ag17 Ag23 Ag19 103.13(3) 3_666 . ?
Ag18 Ag23 Ag1A 59.38(3) . . ?
Ag18 Ag23 Ag17 59.93(3) . 3_666 ?
Ag18 Ag23 Ag19 87.08(4) . . ?
S9 Ag23 Ag1A 142.52(7) . . ?
S9 Ag23 Ag17 74.52(6) . 3_666 ?
S9 Ag23 Ag18 128.11(6) . . ?
S9 Ag23 Ag19 79.93(6) . . ?
S9 Ag23 S11 84.96(8) . . ?
S11 Ag23 Ag1A 109.07(6) . . ?
S11 Ag23 Ag17 55.95(6) . 3_666 ?
S11 Ag23 Ag18 50.10(6) . . ?
S11 Ag23 Ag19 50.51(5) . . ?
S14 Ag23 Ag1A 51.66(6) . . ?
S14 Ag23 Ag17 135.34(7) . 3_666 ?
S14 Ag23 Ag18 98.32(8) . . ?
S14 Ag23 Ag19 114.91(9) . . ?
S14 Ag23 S9 132.73(10) . . ?
S14 Ag23 S11 140.18(12) . . ?
S1 Ag25 Ag3 51.73(5) . . ?
S1 Ag25 S2 99.38(6) . . ?
S2 Ag25 Ag3 86.44(5) . . ?
P4 Ag25 Ag3 131.99(6) . . ?
P4 Ag25 S1 138.42(7) . . ?
P4 Ag25 S2 121.37(8) . . ?
Ag0A Ag35 Ag4B 86.9(5) . . ?
Ag0A Ag35 Ag8 68.4(4) . . ?
Ag8 Ag35 Ag4B 140.4(6) . . ?
Ag15 Ag35 Ag0A 84.8(5) . . ?
Ag15 Ag35 Ag4B 87.0(4) . . ?
Ag15 Ag35 Ag8 119.3(7) . . ?
Ag15 Ag35 S11 65.6(3) . . ?
Ag15 Ag35 S22 171.9(9) . . ?
S4 Ag35 Ag0A 131.6(5) . . ?
S4 Ag35 Ag4B 63.8(4) . . ?
S4 Ag35 Ag8 154.5(7) . . ?
S4 Ag35 Ag15 57.6(3) . . ?
S4 Ag35 S11 85.7(4) . . ?
S4 Ag35 S22 129.6(7) . . ?
S10 Ag35 Ag0A 72.5(5) . . ?
S10 Ag35 Ag4B 147.4(5) . . ?
S10 Ag35 Ag8 53.7(4) . . ?
S10 Ag35 Ag15 66.7(5) . . ?
S10 Ag35 S4 112.0(7) . . ?
S10 Ag35 S11 104.8(6) . . ?
S10 Ag35 S22 105.5(6) . . ?
S11 Ag35 Ag0A 48.9(3) . . ?
S11 Ag35 Ag4B 44.3(3) . . ?
S11 Ag35 Ag8 117.1(5) . . ?
S11 Ag35 S22 116.1(7) . . ?
S22 Ag35 Ag0A 90.7(5) . . ?
S22 Ag35 Ag4B 99.6(7) . . ?
S22 Ag35 Ag8 52.6(3) . . ?
Ag3 S1 Ag11 119.78(8) . 3_666 ?
Ag25 S1 Ag3 78.74(6) . . ?
Ag25 S1 Ag11 137.03(8) . 3_666 ?
C025 S1 Ag3 101.4(3) . . ?
C025 S1 Ag11 99.6(3) . 3_666 ?
C025 S1 Ag25 115.0(3) . . ?
Ag5A S2 Ag14 88.5(3) . . ?
Ag5A S2 Ag25 136.7(3) . . ?
Ag14 S2 Ag7 67.71(5) . 3_666 ?
Ag14 S2 Ag25 85.69(6) . . ?
Ag25 S2 Ag7 136.73(8) . 3_666 ?
C01X S2 Ag5A 117.8(4) . . ?
C01X S2 Ag7 114.4(2) . 3_666 ?
C01X S2 Ag14 105.7(3) . . ?
C01X S2 Ag25 105.1(2) . . ?
Ag4A S3 Ag5 129.11(9) . . ?
Ag4A S3 Ag11 74.73(6) . . ?
Ag4B S3 Ag5 90.33(18) . . ?
Ag4B S3 Ag11 108.26(15) . . ?
Ag5 S3 Ag11 123.79(8) . . ?
C026 S3 Ag4A 106.9(3) . . ?
C026 S3 Ag4B 117.3(3) . . ?
C026 S3 Ag5 110.0(3) . . ?
C026 S3 Ag11 107.0(3) . . ?
Ag5A S4 Ag15 122.9(4) 3_666 . ?
Ag5A S4 Ag35 130.5(6) 3_666 . ?
Ag7 S4 Ag19 123.57(9) . . ?
Ag15 S4 Ag7 101.25(8) . . ?
Ag15 S4 Ag19 79.91(7) . . ?
Ag15 S4 Ag35 63.5(4) . . ?
C03K S4 Ag5A 111.1(10) . 3_666 ?
C03K S4 Ag7 116.8(8) . . ?
C03K S4 Ag15 115.0(9) . . ?
C03K S4 Ag19 112.9(7) . . ?
C78 S4 Ag15 115.0(9) . . ?
C78 S4 Ag35 114.4(9) . . ?
Ag10 S5 Ag12 100.88(8) . 3_666 ?
Ag17 S5 Ag10 124.73(9) . . ?
Ag17 S5 Ag12 95.90(7) . 3_666 ?
C029 S5 Ag10 109.3(3) . . ?
C029 S5 Ag12 115.5(3) . 3_666 ?
C029 S5 Ag17 109.7(3) . . ?
Ag10 S6 Ag3 86.71(7) . . ?
Ag13 S6 Ag3 107.16(8) . . ?
Ag13 S6 Ag10 83.73(7) . . ?
C020 S6 Ag3 132.8(3) . . ?
C020 S6 Ag10 116.4(3) . . ?
C020 S6 Ag13 115.4(3) . . ?
Ag6 S7 Ag7 117.20(8) . . ?
Ag6 S7 Ag12 97.20(8) . 3_666 ?
Ag12 S7 Ag7 119.32(9) 3_666 . ?
C01W S7 Ag6 107.9(3) . . ?
C01W S7 Ag7 109.5(3) . . ?
C01W S7 Ag12 104.3(3) . 3_666 ?
Ag6 S8 Ag1A 91.93(7) . 3_666 ?
Ag6 S8 Ag1B 70.51(11) . 3_666 ?
Ag17 S8 Ag1A 105.95(9) . 3_666 ?
Ag17 S8 Ag1B 117.72(13) . 3_666 ?
Ag17 S8 Ag6 89.04(8) . . ?
C02Q S8 Ag1A 134.7(3) . 3_666 ?
C02Q S8 Ag1B 130.8(3) . 3_666 ?
C02Q S8 Ag6 113.0(3) . . ?
C02Q S8 Ag17 111.4(3) . . ?
Ag9 S9 Ag5 94.33(8) . . ?
Ag9 S9 Ag23 110.86(9) . . ?
Ag23 S9 Ag5 107.32(9) . . ?
C032 S9 Ag5 106.2(3) . . ?
C032 S9 Ag9 108.9(4) . . ?
C032 S9 Ag23 124.7(3) . . ?
Ag8 S10 Ag15 133.11(9) . . ?
Ag16 S10 Ag8 110.11(12) . . ?
Ag16 S10 Ag15 90.29(7) . . ?
Ag16 S10 Ag35 127.6(3) . . ?
Ag35 S10 Ag8 75.4(3) . . ?
Ag35 S10 Ag15 59.3(3) . . ?
C02X S10 Ag8 108.1(3) . . ?
C02X S10 Ag15 106.4(3) . . ?
C02X S10 Ag16 104.8(3) . . ?
C02X S10 Ag35 123.4(5) . . ?
Ag0A S11 Ag2B 126.3(3) . . ?
Ag0A S11 Ag15 90.2(3) . . ?
Ag0A S11 Ag18 56.1(3) . . ?
Ag0A S11 Ag35 68.5(4) . . ?
Ag2A S11 Ag15 86.69(10) . . ?
Ag2A S11 Ag17 94.20(9) . 3_666 ?
Ag2A S11 Ag18 107.54(11) . . ?
Ag2A S11 Ag19 116.37(10) . . ?
Ag2A S11 Ag23 162.28(13) . . ?
Ag2B S11 Ag15 77.57(9) . . ?
Ag2B S11 Ag35 133.1(4) . . ?
Ag4B S11 Ag0A 130.7(3) . . ?
Ag4B S11 Ag2B 102.96(18) . . ?
Ag4B S11 Ag15 102.09(17) . . ?
Ag4B S11 Ag18 170.3(2) . . ?
Ag4B S11 Ag35 79.0(5) . . ?
Ag17 S11 Ag15 139.95(10) 3_666 . ?
Ag17 S11 Ag35 143.0(3) 3_666 . ?
Ag18 S11 Ag2B 70.74(8) . . ?
Ag18 S11 Ag15 69.73(8) . . ?
Ag18 S11 Ag17 71.90(7) . 3_666 ?
Ag18 S11 Ag19 119.37(10) . . ?
Ag18 S11 Ag23 71.99(7) . . ?
Ag18 S11 Ag35 99.8(5) . . ?
Ag19 S11 Ag15 73.22(7) . . ?
Ag19 S11 Ag17 138.31(11) . 3_666 ?
Ag19 S11 Ag23 77.15(7) . . ?
Ag23 S11 Ag15 109.04(9) . . ?
Ag23 S11 Ag17 68.58(7) . 3_666 ?
Ag35 S11 Ag15 56.8(4) . . ?
Ag4 S12 Ag6 127.16(10) . 3_666 ?
Ag14 S12 Ag4 110.63(10) . . ?
Ag14 S12 Ag6 89.18(8) . 3_666 ?
C02C S12 Ag4 109.9(3) . . ?
C02C S12 Ag6 108.3(3) . 3_666 ?
C02C S12 Ag14 109.2(3) . . ?
Ag1A S13 Ag6 91.68(8) . 3_666 ?
Ag1B S13 Ag13 135.78(14) . . ?
Ag1B S13 Ag18 99.28(15) . . ?
Ag1B S13 Ag22 83.57(14) . . ?
Ag3A S13 Ag1A 149.83(10) . . ?
Ag3A S13 Ag6 73.31(6) . 3_666 ?
Ag3A S13 Ag13 72.82(7) . . ?
Ag3B S13 Ag13 71.68(13) 3_666 . ?
Ag3B S13 Ag18 117.50(15) 3_666 . ?
Ag3B S13 Ag22 74.77(12) 3_666 . ?
Ag6 S13 Ag3C 78.45(16) 3_666 . ?
Ag13 S13 Ag1A 124.35(8) . . ?
Ag13 S13 Ag3C 82.91(17) . . ?
Ag13 S13 Ag6 143.80(9) . 3_666 ?
Ag18 S13 Ag1A 74.87(7) . . ?
Ag18 S13 Ag3A 81.50(8) . . ?
Ag18 S13 Ag3C 43.8(2) . . ?
Ag18 S13 Ag6 98.41(8) . 3_666 ?
Ag18 S13 Ag13 88.91(9) . . ?
Ag18 S13 Ag22 152.52(11) . . ?
Ag22 S13 Ag1A 100.54(8) . . ?
Ag22 S13 Ag3A 108.99(9) . . ?
Ag22 S13 Ag3C 144.6(2) . . ?
Ag22 S13 Ag6 108.87(10) . 3_666 ?
Ag22 S13 Ag13 71.11(6) . . ?
Ag0A S14 Ag1 111.8(3) . . ?
Ag0A S14 Ag8 79.4(2) . . ?
Ag1A S14 Ag8 138.02(13) . . ?
Ag8 S14 Ag1 109.52(13) . . ?
Ag23 S14 Ag1A 79.37(7) . . ?
Ag23 S14 Ag8 84.19(8) . . ?
C03A S14 Ag0A 121.5(4) . . ?
C03A S14 Ag1 116.8(3) . . ?
C03A S14 Ag1A 109.5(4) . . ?
C03A S14 Ag8 111.2(4) . . ?
C03A S14 Ag23 99.9(3) . . ?
Ag3A S15 Ag2A 62.40(11) 3_666 . ?
Ag3A S15 Ag2A 140.97(18) . . ?
Ag3A S15 Ag3A 156.40(19) . 3_666 ?
Ag3A S15 Ag12 84.40(12) 3_666 . ?
Ag3A S15 Ag12 85.50(14) 3_666 3_666 ?
Ag3A S15 Ag12 89.51(14) . 3_666 ?
Ag3A S15 Ag12 91.53(16) . . ?
Ag12 S15 Ag2A 92.20(14) 3_666 . ?
Ag12 S15 Ag2A 101.26(15) . . ?
Ag12 S15 Ag12 157.01(18) . 3_666 ?
Ag3 S16 Ag4 131.41(9) . . ?
Ag22 S16 Ag3 73.89(6) . . ?
Ag22 S16 Ag4 77.86(7) . . ?
C02S S16 Ag3 111.3(3) . . ?
C02S S16 Ag4 111.0(3) . . ?
C02S S16 Ag22 97.8(3) . . ?
Ag2A S17 Ag3 162.70(12) 3_666 . ?
Ag2A S17 Ag3A 65.45(7) 3_666 . ?
Ag2A S17 Ag7 71.22(7) 3_666 3_666 ?
Ag2A S17 Ag10 75.20(8) 3_666 . ?
Ag2C S17 Ag3 154.1(2) . . ?
Ag2C S17 Ag10 71.93(19) . . ?
Ag3 S17 Ag3A 118.87(9) . . ?
Ag3 S17 Ag7 121.31(8) . 3_666 ?
Ag3 S17 Ag10 88.79(7) . . ?
Ag3A S17 Ag7 101.26(8) . 3_666 ?
Ag3B S17 Ag3 88.57(15) 3_666 . ?
Ag3B S17 Ag10 90.90(17) 3_666 . ?
Ag4A S17 Ag2A 70.35(9) 3_666 3_666 ?
Ag4A S17 Ag3 101.69(9) 3_666 . ?
Ag4A S17 Ag3A 135.35(9) 3_666 . ?
Ag4A S17 Ag7 69.25(6) 3_666 3_666 ?
Ag4A S17 Ag10 83.08(9) 3_666 . ?
Ag10 S17 Ag3A 80.12(7) . . ?
Ag10 S17 Ag7 141.94(10) . 3_666 ?
Ag1B S18 Ag1 78.07(16) . . ?
Ag1B S18 Ag4 98.63(16) . . ?
Ag4 S18 Ag1 143.54(11) . . ?
Ag4 S18 Ag1A 125.49(9) . . ?
Ag20 S18 Ag1A 77.67(7) . . ?
Ag20 S18 Ag4 127.99(9) . . ?
C038 S18 Ag1 112.2(3) . . ?
C038 S18 Ag1A 102.7(3) . . ?
C038 S18 Ag1B 111.8(3) . . ?
C038 S18 Ag4 102.8(3) . . ?
C038 S18 Ag20 117.5(3) . . ?
Ag13 S19 Ag12 106.17(8) . 3_666 ?
Ag15 S19 Ag12 89.49(7) . 3_666 ?
Ag15 S19 Ag13 122.72(11) . . ?
C022 S19 Ag12 115.1(3) . 3_666 ?
C022 S19 Ag13 108.1(3) . . ?
C022 S19 Ag15 114.0(3) . . ?
Ag9 S20 Ag10 79.12(7) . 3_666 ?
Ag9 S20 Ag11 105.55(9) . . ?
Ag11 S20 Ag10 113.22(9) . 3_666 ?
C02Z S20 Ag9 110.7(3) . . ?
C02Z S20 Ag10 131.2(3) . 3_666 ?
C02Z S20 Ag11 109.7(3) . . ?
Ag1 S21 Ag22 107.61(10) . . ?
Ag16 S21 Ag1 67.47(11) . . ?
Ag16 S21 Ag20 91.35(9) . . ?
Ag16 S21 Ag22 108.87(8) . . ?
Ag20 S21 Ag22 98.82(8) . . ?
C02U S21 Ag1 108.4(3) . . ?
C02U S21 Ag16 110.4(3) . . ?
C02U S21 Ag20 102.7(3) . . ?
C02U S21 Ag22 134.2(3) . . ?
Ag5 S22 Ag35 97.1(4) . . ?
Ag8 S22 Ag5 143.18(11) . . ?
Ag8 S22 Ag35 72.1(4) . . ?
Ag19 S22 Ag5 77.32(7) . . ?
Ag19 S22 Ag8 91.35(8) . . ?
C039 S22 Ag5 115.8(3) . . ?
C039 S22 Ag8 101.0(3) . . ?
C039 S22 Ag19 106.0(4) . . ?
C039 S22 Ag35 102.2(5) . . ?
C03G P1 Ag4 107.2(3) . . ?
C03G P1 C04W 103.7(5) . . ?
C04B P1 Ag4 120.3(3) . . ?
C04B P1 C03G 106.2(5) . . ?
C04B P1 C04W 101.0(6) . . ?
C04W P1 Ag4 116.8(5) . . ?
C043 P2 Ag1 133.5(4) . . ?
C043 P2 Ag20 109.0(3) . . ?
C046 P2 Ag1 107.1(3) . . ?
C046 P2 Ag20 115.1(3) . . ?
C046 P2 C043 103.4(5) . . ?
C048 P2 Ag1 101.3(3) . . ?
C048 P2 Ag20 118.8(3) . . ?
C048 P2 C043 103.1(5) . . ?
C048 P2 C046 105.7(5) . . ?
C02G P3 Ag5 117.1(4) . . ?
C02G P3 C04H 102.3(4) . . ?
C02R P3 Ag5 115.6(3) . . ?
C02R P3 C02G 103.5(5) . . ?
C02R P3 C04H 105.3(5) . . ?
C04H P3 Ag5 111.6(4) . . ?
C02O P4 Ag25 113.2(3) . . ?
C027 P4 Ag25 114.2(3) . . ?
C027 P4 C02O 105.7(4) . . ?
C031 P4 Ag25 114.3(3) . . ?
C031 P4 C02O 101.6(4) . . ?
C031 P4 C027 106.7(4) . . ?
C04M P5 Ag11 108.5(3) . . ?
C04M P5 C034 105.6(4) . . ?
C04M P5 C035 103.8(5) . . ?
C034 P5 Ag11 120.1(4) . . ?
C034 P5 C035 104.5(5) . . ?
C035 P5 Ag11 113.0(3) . . ?
C049 P6 Ag8 99.6(5) . . ?
C67 P6 Ag8 129.7(10) . . ?
C67 P6 C049 112.3(10) . . ?
C67 P6 C4AA 103.8(13) . . ?
C4AA P6 Ag8 110.2(8) . . ?
C4AA P6 C049 96.6(8) . . ?
C05L P7 Ag8 120.2(6) . . ?
C05T P7 Ag8 116.3(5) . . ?
C05T P7 C05L 99.7(8) . . ?
C049 P7 Ag8 110.7(4) . . ?
C049 P7 C05L 101.2(8) . . ?
C049 P7 C05T 106.9(7) . . ?
C07F C0AA C082 118.5(16) . . ?
C02G C1AA C2AA 123(3) . . ?
C02A C01W S7 121.1(7) . . ?
C02A C01W C02B 118.6(8) . . ?
C02B C01W S7 120.3(7) . . ?
C1BA C01X S2 118.1(6) . . ?
C1BA C01X C0BA 120.0 . . ?
C0BA C01X S2 121.8(6) . . ?
C9AA C01X S2 126.3(8) . . ?
C9AA C01X C70 113.6(11) . . ?
C70 C01X S2 118.9(8) . . ?
C01X C1BA C24 120.0 . . ?
C1BA C24 C65 120.0 . . ?
F21 C65 C24 119.6(19) . . ?
F21 C65 C64 120.3(19) . . ?
C24 C65 C64 120.0 . . ?
C0BA C64 C65 120.0 . . ?
C64 C0BA C01X 120.0 . . ?
C03T C02A C01W 122.0(9) . . ?
C1AA C2AA C89 121(3) . . ?
C01W C02B C03Q 120.9(9) . . ?
C03V C02C S12 122.1(7) . . ?
C03V C02C C04I 117.4(10) . . ?
C04I C02C S12 120.4(8) . . ?
C025 C02D C02V 122.0(8) . . ?
C022 C02E C03O 121.6(9) . . ?
C027 C02F C030 120.9(9) . . ?
C1AA C02G P3 126.9(13) . . ?
C1AA C02G C3AA 120.6(16) . . ?
C3AA C02G P3 110.3(11) . . ?
C06T C02G P3 121.9(10) . . ?
C06T C02G C07E 114.7(12) . . ?
C07E C02G P3 122.6(9) . . ?
C04P C02H C034 121.6(10) . . ?
F1 C02I C02V 117.6(9) . . ?
C02T C02I F1 119.0(9) . . ?
C02T C02I C02V 123.3(8) . . ?
C020 C02K C03S 122.1(9) . . ?
F2 C02M C03S 117.6(12) . . ?
C03F C02M F2 120.2(10) . . ?
C03F C02M C03S 122.2(10) . . ?
C029 C02N C04X 120.3(10) . . ?
C11 C02O P4 121.8(10) . . ?
C5BA C02O P4 111.8(11) . . ?
C5BA C02O C11 121.3(14) . . ?
C23 C02O P4 124.2(11) . . ?
C23 C02O C39 113.2(15) . . ?
C39 C02O P4 122.2(12) . . ?
C02T C02P C025 119.3(9) . . ?
C028 C02Q S8 120.7(7) . . ?
C033 C02Q S8 121.1(8) . . ?
C033 C02Q C028 118.2(9) . . ?
C03C C02R P3 118.7(7) . . ?
C03C C02R C04S 117.5(10) . . ?
C04S C02R P3 123.7(9) . . ?
C03I C02S S16 122.0(7) . . ?
C04D C02S S16 120.4(9) . . ?
C04D C02S C03I 117.5(10) . . ?
C02I C02T C02P 120.4(9) . . ?
C03D C02U S21 122.0(7) . . ?
C03D C02U C036 118.1(8) . . ?
C036 C02U S21 119.8(7) . . ?
C02I C02V C02D 116.3(9) . . ?
C037 C02W C029 119.7(9) . . ?
C04G C02X S10 120.8(8) . . ?
C04G C02X C05J 120.0(11) . . ?
C05J C02X S10 119.3(9) . . ?
C05Z C02Y C02Z 122.6(10) . . ?
C02Y C02Z S20 122.5(8) . . ?
C06F C02Z S20 118.8(9) . . ?
C06F C02Z C02Y 118.3(11) . . ?
C04Y C03A S14 121.5(9) . . ?
C04Y C03A C057 116.8(13) . . ?
C057 C03A S14 121.7(12) . . ?
C29 C3AA C02G 113(2) . . ?
C038 C03B C04T 118.2(12) . . ?
C02R C03C C04A 121.6(10) . . ?
C02U C03D C047 121.3(10) . . ?
F6 C03E C037 117.6(11) . . ?
C04X C03E F6 120.6(10) . . ?
C04X C03E C037 121.7(10) . . ?
C03U C03F C02M 119.0(9) . . ?
C024 C03G P1 113.1(6) . . ?
C045 C03H C027 119.3(10) . . ?
C05G C03I C02S 120.8(9) . . ?
C030 C03J C045 118.4(10) . . ?
C04O C03K S4 121(2) . . ?
C62 C03K S4 122(2) . . ?
C62 C03K C04O 117(2) . . ?
C03Z C03L C023 117.3(10) . . ?
C038 C03M C044 120.7(10) . . ?
C028 C03N C04E 119.8(10) . . ?
C04L C03O C02E 118.9(10) . . ?
C03Y C03P F5 118.0(10) . . ?
C047 C03P F5 119.5(10) . . ?
C047 C03P C03Y 122.5(9) . . ?
C04K C03Q C02B 118.5(9) . . ?
C042 C03R C026 121.5(10) . . ?
C02K C03S C02M 117.5(11) . . ?
C02A C03T C04K 118.0(9) . . ?
C03F C03U C020 121.0(11) . . ?
C02C C03V C03W 121.2(9) . . ?
C04V C03W C03V 118.7(11) . . ?
C039 C03X C05K 120.6(13) . . ?
C03P C03Y C036 119.3(10) . . ?
F10 C03Z C03L 118.9(11) . . ?
F10 C03Z C042 118.4(10) . . ?
C03L C03Z C042 122.7(10) . . ?
C053 C04A C03C 119.9(13) . . ?
C04C C04B P1 119.2(9) . . ?
C04Q C04B P1 124.2(9) . . ?
C04Q C04B C04C 116.6(11) . . ?
C051 C04C C04B 121.8(11) . . ?
C04F C04D C02S 120.0(12) . . ?
C03N C04E F4 119.8(11) . . ?
C04Z C04E F4 119.3(10) . . ?
C04Z C04E C03N 120.9(11) . . ?
C04U C04F C04D 120.3(11) . . ?
C02X C04G C052 121.0(11) . . ?
C05E C04H P3 112.3(7) . . ?
C058 C04I C02C 122.4(10) . . ?
F11 C04J C7AA 119.5(18) . . ?
F11 C04J C8AA 115.0(19) . . ?
C7AA C04J C8AA 125.5(17) . . ?
F3 C04K C03T 118.2(9) . . ?
C03Q C04K F3 119.9(9) . . ?
C03Q C04K C03T 121.9(9) . . ?
C03O C04L F9 119.4(11) . . ?
C03O C04L C05B 123.1(12) . . ?
C05B C04L F9 117.4(11) . . ?
C05E C04M P5 114.5(8) . . ?
C05B C04N C022 120.4(11) . . ?
C58 C04O C03K 118(3) . . ?
C02H C04P C06N 118.9(11) . . ?
C05M C04Q C04B 120.3(12) . . ?
C035 C04R C06D 121.1(10) . . ?
C02R C04S C05P 120.8(12) . . ?
C05D C04T C03B 120.0(12) . . ?
C04F C04U F7 117.8(11) . . ?
C05G C04U F7 120.6(13) . . ?
C05G C04U C04F 121.6(11) . . ?
F8 C04V C058 118.4(10) . . ?
C03W C04V F8 119.4(11) . . ?
C03W C04V C058 122.2(12) . . ?
C06L C04W P1 117.8(9) . . ?
C06L C04W C082 118.6(13) . . ?
C082 C04W P1 123.3(10) . . ?
C03E C04X C02N 119.9(10) . . ?
C03A C04Y C061 121.7(11) . . ?
C04E C04Z C033 119.5(10) . . ?
C27 C5 C35 125(2) . . ?
F20 C5AA C33 120(2) . . ?
F20 C5AA C067 116(3) . . ?
C33 C5AA C067 124(3) . . ?
C04L C05B C04N 118.3(12) . . ?
C05L C05C C065 121(2) . . ?
C04T C05D F18 118.7(13) . . ?
C04T C05D C044 123.5(11) . . ?
C044 C05D F18 117.7(14) . . ?
C04M C05E C04H 113.2(10) . . ?
C05R C05F C040 117.8(13) . . ?
C04U C05G C03I 119.8(11) . . ?
C064 C05H C041 120.2(12) . . ?
C032 C05I C067 105.5(18) . . ?
C032 C05I C95 129.8(15) . . ?
C02X C05J C05N 120.1(13) . . ?
C05R C05K C03X 116.2(16) . . ?
C05C C05L P7 125.1(19) . . ?
C54 C05L P7 116.4(14) . . ?
C54 C05L C05C 118(2) . . ?
C05Q C05M C04Q 121.4(13) . . ?
C055 C05N C05J 118.0(12) . . ?
C04S C05P C053 120.3(12) . . ?
C05M C05Q C051 119.0(13) . . ?
C05F C05R F14 120.3(14) . . ?
C05F C05R C05K 126.0(14) . . ?
C05K C05R F14 113.7(16) . . ?
C06O C05T P7 118.6(11) . . ?
C06X C05T P7 122.6(12) . . ?
C06X C05T C06O 118.8(16) . . ?
C05Y C05U C057 119.9(13) . . ?
C06B C05V C060 121.7(14) . . ?
C054 C05X C068 119.4(13) . . ?
C05U C05Y F12 119.3(13) . . ?
C05U C05Y C061 122.1(16) . . ?
C061 C05Y F12 118.6(16) . . ?
C076 C05Z C02Y 118.1(13) . . ?
C06Y C06A C032 123.8(16) . . ?
C48 C6AA C5BA 120(2) . . ?
C05V C06B C06K 117.8(14) . . ?
C068 C06D C04R 119.4(13) . . ?
C07K C06F C02Z 120.2(13) . . ?
C06B C06K C050 122.0(13) . . ?
C04W C06L C06U 121.2(13) . . ?
C06Z C06N C04P 119.3(12) . . ?
C07O C06O C05T 120.7(16) . . ?
C084 C06Q C78 114(3) . . ?
C06X C06R C07B 119(2) . . ?
C07R C06S C73 113(3) . . ?
C02G C06T C06W 124.9(15) . . ?
C07F C06U C06L 119.2(14) . . ?
C059 C06W C06T 119(2) . . ?
C05T C06X C06R 121(2) . . ?
C077 C06Y C06A 121.1(17) . . ?
C063 C06Z C06N 119.9(14) . . ?
C04J C7AA C70 112.2(18) . . ?
C07O C07B C06R 121(2) . . ?
C07G C07E C02G 120.3(15) . . ?
C06U C07F C0AA 119.7(15) . . ?
C07E C07G C059 118(2) . . ?
C06F C07K C076 119.7(15) . . ?
C065 C07M C30 123(2) . . ?
C07B C07O C06O 119.6(19) . . ?
C06S C07R F19 124(3) . . ?
C06S C07R C084 124(3) . . ?
C084 C07R F19 111(2) . . ?
C04J C8AA C9AA 116.7(15) . . ?
C01X C9AA C8AA 123.6(13) . . ?
C43 C11 C02O 115.8(18) . . ?
C02O C5BA C6AA 118.4(18) . . ?
C02K C020 S6 121.6(6) . . ?
C02K C020 C03U 118.2(9) . . ?
C03U C020 S6 120.1(8) . . ?
C02E C022 S19 120.4(7) . . ?
C02E C022 C04N 117.6(9) . . ?
C04N C022 S19 121.9(8) . . ?
C02O C23 C27 126.4(19) . . ?
C03L C023 C026 121.6(9) . . ?
C03G C024 C031 112.5(7) . . ?
C02D C025 S1 119.2(6) . . ?
C02D C025 C02P 118.6(7) . . ?
C02P C025 S1 122.1(7) . . ?
C03R C026 S3 120.5(7) . . ?
C03R C026 C023 118.6(8) . . ?
C023 C026 S3 120.7(6) . . ?
C02F C027 P4 118.7(6) . . ?
C02F C027 C03H 119.3(8) . . ?
C03H C027 P4 122.0(8) . . ?
C5 C27 C23 116(2) . . ?
C03N C028 C02Q 121.3(9) . . ?
C3AA C29 C89 123(3) . . ?
C02N C029 S5 120.5(7) . . ?
C02N C029 C02W 119.5(9) . . ?
C02W C029 S5 120.1(7) . . ?
C54 C30 C07M 117(2) . . ?
C03J C030 C02F 121.0(11) . . ?
C024 C031 P4 115.9(6) . . ?
C05I C032 S9 121.6(8) . . ?
C05I C032 C06A 110.3(12) . . ?
C05I C032 C42 129.2(13) . . ?
C06A C032 S9 127.2(10) . . ?
C42 C032 S9 106.8(11) . . ?
C02Q C033 C04Z 120.3(11) . . ?
C5AA C33 C42 113(2) . . ?
C02H C034 P5 118.2(7) . . ?
C063 C034 P5 123.7(8) . . ?
C063 C034 C02H 118.0(10) . . ?
C04R C035 P5 117.8(8) . . ?
C04R C035 C054 117.6(11) . . ?
C054 C035 P5 124.6(9) . . ?
C5 C35 C39 114(2) . . ?
C03Y C036 C02U 120.6(9) . . ?
C62 C36 C74 120(2) . . ?
C03E C037 C02W 118.9(10) . . ?
C03B C038 S18 122.4(8) . . ?
C03M C038 S18 117.7(7) . . ?
C03M C038 C03B 119.9(9) . . ?
C03X C039 S22 121.7(8) . . ?
C03X C039 C040 119.4(11) . . ?
C040 C039 S22 118.7(11) . . ?
C02O C39 C35 124.9(19) . . ?
C80 C40 C075 120(2) . . ?
C05F C040 C039 120.0(15) . . ?
C046 C041 C05H 120.1(11) . . ?
C03R C042 C03Z 118.3(10) . . ?
C33 C42 C032 120.0(19) . . ?
C050 C043 P2 123.4(10) . . ?
C050 C043 C060 116.9(12) . . ?
C060 C043 P2 119.7(10) . . ?
C11 C43 C48 120(2) . . ?
C05D C044 C03M 117.7(12) . . ?
C03H C045 C03J 121.1(9) . . ?
C041 C046 P2 120.0(8) . . ?
C041 C046 C062 118.3(11) . . ?
C062 C046 P2 121.7(9) . . ?
C03P C047 C03D 118.2(10) . . ?
C6AA C48 C43 120(2) . . ?
C056 C048 P2 117.4(7) . . ?
C056 C049 P6 106.4(9) . . ?
C056 C049 P7 117.0(9) . . ?
C043 C050 C06K 120.9(12) . . ?
C04C C051 C05Q 120.8(12) . . ?
C055 C052 C04G 117.3(13) . . ?
C04A C053 C05P 119.9(14) . . ?
C05X C054 C035 122.6(12) . . ?
C05L C54 C30 121.5(18) . . ?
C05N C055 F13 118.7(13) . . ?
C052 C055 F13 117.7(15) . . ?
C052 C055 C05N 123.5(12) . . ?
C049 C056 C048 110.3(9) . . ?
C05U C057 C03A 121.8(15) . . ?
C04I C058 C04V 118.0(10) . . ?
C04O C58 C74 126(3) . . ?
C06W C059 C07G 122(3) . . ?
C043 C060 C05V 120.6(13) . . ?
C05Y C061 C04Y 117.6(15) . . ?
C066 C062 C046 121.5(13) . . ?
C36 C62 C03K 122(2) . . ?
C06Z C063 C034 122.1(13) . . ?
C066 C064 C05H 119.1(13) . . ?
C07M C065 C05C 118(2) . . ?
C062 C066 C064 119.7(14) . . ?
C5AA C067 C05I 125(4) . . ?
C80 C67 P6 120(2) . . ?
C80 C67 C90 116(3) . . ?
C90 C67 P6 124.0(19) . . ?
C06D C068 C05X 119.9(14) . . ?
C63 C69 C66 120.0 . . ?
C4AA C63 C69 120.0 . . ?
C63 C4AA P6 124.0(12) . . ?
C63 C4AA C60 120.0 . . ?
C60 C4AA P6 116.0(11) . . ?
C4AA C60 C71 120.0 . . ?
C60 C71 C66 120.0 . . ?
C71 C66 C69 120.0 . . ?
C7AA C70 C01X 127.4(16) . . ?
C78 C73 C06S 126(3) . . ?
F17 C74 C36 121(2) . . ?
F17 C74 C58 121(3) . . ?
C58 C74 C36 118(2) . . ?
C93 C075 C40 117(3) . . ?
F16 C076 C07K 119.5(16) . . ?
C05Z C076 F16 119.8(15) . . ?
C05Z C076 C07K 120.7(16) . . ?
F15 C077 C95 116.7(19) . . ?
C06Y C077 F15 120.4(19) . . ?
C06Y C077 C95 122.9(19) . . ?
C06Q C78 S4 118(2) . . ?
C73 C78 S4 120(2) . . ?
C73 C78 C06Q 122(3) . . ?
C67 C80 C40 124(2) . . ?
C0AA C082 C04W 120.6(15) . . ?
C06Q C084 C07R 119(3) . . ?
C2AA C89 C29 117(3) . . ?
C67 C90 C93 121(3) . . ?
C075 C93 C90 123(3) . . ?
C077 C95 C05I 112(2) . . ?
O5 C12 N16 118(3) . . ?
O5 C12 N43 145(3) . . ?
N43 C12 N16 95.2(19) . . ?
C12 N16 C19 102(2) . . ?
C12 N16 C56 121(2) . . ?
C56 N16 C19 128(2) . . ?
C12 N43 C2BA 116(2) . . ?
C12 N43 C76 113(3) . . ?
C2BA N43 C76 126(3) . . ?
N16 C56 C2BA 99(2) . . ?
N43 C2BA C56 105(2) . . ?
C7 N1 C3BA 123.2(17) . . ?
C7 N1 C15 114.1(19) . . ?
C15 N1 C3BA 122.5(19) . . ?
C17 N4BA C4 132.3(19) . . ?
C7 N4BA C17 105.4(16) . . ?
C7 N4BA C4 117.8(18) . . ?
N1 C3BA C17 92.0(17) . . ?
N4BA C17 C3BA 118.7(19) . . ?
N4BA C7 N1 100.5(15) . . ?
O0AA C7 N1 134(2) . . ?
O0AA C7 N4BA 125.5(19) . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.000 -0.253 0.500 2370.7 725.9 ?
2 0.500 -0.707 1.000 2370.7 725.9 ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 2.380
_oxdiff_exptl_absorpt_empirical_full_min 0.638
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_20190823d5_3_200_00-hy
_database_code_depnum_ccdc_archive 'CCDC 1992659'
loop_
_audit_author_name
_audit_author_address
'Hai-Yang Li'
;Zhengzhou university
China
;
_audit_update_record             
;
2020-03-25 deposited with the CCDC.	2021-01-27 downloaded from the CCDC.
;
_audit_creation_date             2019-11-22
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C378 H300 Ag50 F36 P12 S43'
_chemical_formula_sum            'C378 H300 Ag50 F36 P12 S43'
_chemical_formula_weight         12669.88
_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'
F F 0.0727 0.0534 '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      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   30.1143(2)
_cell_length_b                   24.4007(2)
_cell_length_c                   33.4558(2)
_cell_angle_alpha                90
_cell_angle_beta                 95.2910(10)
_cell_angle_gamma                90
_cell_volume                     24478.9(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    51946
_cell_measurement_temperature    200.00(10)
_cell_measurement_theta_max      73.6860
_cell_measurement_theta_min      2.6780
_shelx_estimated_absorpt_T_max   0.264
_shelx_estimated_absorpt_T_min   0.219
_exptl_absorpt_coefficient_mu    18.157
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.27499
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.27b (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.719
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             12220
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0470
_diffrn_reflns_av_unetI/netI     0.0432
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       35
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_number            143469
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        66.498
_diffrn_reflns_theta_max         66.498
_diffrn_reflns_theta_min         2.334
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      200.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -83.00 -56.00   0.25    0.25    --    0.00 -38.00-150.00  108
  2  ω    -12.00  41.00   0.25    0.25    --    0.00  82.00 120.00  212
  3  ω    -40.00  17.00   0.25    0.25    --    0.00 -38.00  30.00  228
  4  ω    -72.00 -47.00   0.25    0.25    --    0.00 -38.00  30.00  100
  5  ω    -89.00  12.00   0.25    0.25    --    0.00 -38.00 -60.00  404
  6  ω     67.00 115.00   0.25    2.00    --   95.20 -15.00 -30.00  192
  7  ω     11.00  48.00   0.25    2.00    --   95.20 -15.00 -30.00  148
  8  ω     65.00 104.00   0.25    2.00    --   95.20 -45.00 -30.00  156
  9  ω     68.00  99.00   0.25    2.00    --   95.20  77.00   0.00  124
 10  ω      6.00 115.00   0.25    2.00    --   95.20 -30.00 -30.00  436
 11  ω    128.00 178.00   0.25    2.00    --   95.20  77.00   0.00  200
 12  ω      7.00 127.00   0.25    2.00    --   95.20 -82.00 -60.00  480
 13  ω      7.00  54.00   0.25    2.00    --   95.20 -61.00-120.00  188
 14  ω     21.00  49.00   0.25    2.00    --   95.20 -45.00 -30.00  112
 15  ω     86.00 173.00   0.25    2.00    --   95.20  77.00 -60.00  348
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC12 (RINC): Kappa single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0183789000
_diffrn_orient_matrix_UB_12      0.0589480000
_diffrn_orient_matrix_UB_13      0.0014965000
_diffrn_orient_matrix_UB_21      0.0064071000
_diffrn_orient_matrix_UB_22      -0.0029751000
_diffrn_orient_matrix_UB_23      0.0461721000
_diffrn_orient_matrix_UB_31      0.0475443000
_diffrn_orient_matrix_UB_32      -0.0224058000
_diffrn_orient_matrix_UB_33      -0.0021968000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                32999
_reflns_number_total             42989
_reflns_odcompleteness_completeness 97.24
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     73.98
_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       'CrysAlisPro 1.171.39.27b (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.39.27b (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.39.27b (Rigaku OD, 2015)'
_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 (Sheldrick, 2015)'
_refine_diff_density_max         4.021
_refine_diff_density_min         -2.389
_refine_diff_density_rms         0.171
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2569
_refine_ls_number_reflns         42989
_refine_ls_number_restraints     789
_refine_ls_R_factor_all          0.0937
_refine_ls_R_factor_gt           0.0786
_refine_ls_restrained_S_all      1.084
_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)+(0.1342P)²+116.9603P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2248
_refine_ls_wR_factor_ref         0.2384
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2. Restrained distances
 C107-C48 = C136-C107 = C137-C136 = C48-C41
 1.39 with sigma of 0.01
 C181-C180 = C181-C183
 1.39 with sigma of 0.01
 C180-C179 = C184-C179 = C184-C182 = C182-C183
 1.39 with sigma of 0.01
 C186-C134 = C187-C186 = C187-C185 = C185-C168 = C168-C84 = C134-C84
 1.39 with sigma of 0.01
 C192-C12 = C190-C12 = C192-C189 = C193-C190 = C158-C12 = C191-C158 = C188-
 C191 = C194-C188 = C193-C188 = C188-C189
 1.39 with sigma of 0.01
 C195-C12 = C194-C195
 1.39 with sigma of 0.01
3. Restrained planarity
 F17, C134, C168, C185, C186, C187
 with sigma of 0.1
 F18, C12, C158, C188, C190, C191, C193
 with sigma of 0.1
 F18, C12, C188, C189, C192, C194, C195
 with sigma of 0.1
4. Rigid bond restraints
 C163, C165
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
5. Uiso/Uaniso restraints and constraints
P6 \\sim C171 \\sim C172 \\sim C173 \\sim C174 \\sim C175 \\sim C176: within 2A
with sigma of 0.01 and sigma for terminal atoms of 0.01
P6 \\sim C160 \\sim C163 \\sim C164 \\sim C165: within 2A with sigma of 0.01
and sigma for terminal atoms of 0.01
S5 \\sim F17 \\sim C84 \\sim C134 \\sim C168 \\sim C185 \\sim C186 \\sim C187:
within 2A with sigma of 0.01 and sigma for terminal atoms of 0.01
C71 \\sim C72 \\sim C198 \\sim C199: within 2A with sigma of 0.01 and sigma for
terminal atoms of 0.01
Uanis(Ag30) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
Uanis(Ag33) \\sim Ueq, Uanis(F9) \\sim Ueq, Uanis(C63) \\sim Ueq, Uanis(F15)
\\sim Ueq, Uanis(C95) \\sim Ueq, Uanis(C108) \\sim Ueq, Uanis(F16) \\sim Ueq,
Uanis(C119) \\sim Ueq, Uanis(C126) \\sim Ueq, Uanis(C135) \\sim Ueq,
Uanis(C141) \\sim Ueq, Uanis(C143) \\sim Ueq, Uanis(C146) \\sim Ueq,
Uanis(C147) \\sim Ueq, Uanis(C153) \\sim Ueq, Uanis(C155) \\sim Ueq,
Uanis(C156) \\sim Ueq, Uanis(C157) \\sim Ueq, Uanis(C166) \\sim Ueq,
Uanis(C169) \\sim Ueq, Uanis(Ag34) \\sim Ueq, Uanis(Ag0A) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
Uanis(Ag32) \\sim Ueq, Uanis(F9) \\sim Ueq, Uanis(F14) \\sim Ueq, Uanis(C127)
\\sim Ueq, Uanis(C148) \\sim Ueq: with sigma of 0.01 and sigma for terminal
atoms of 0.02
Uanis(Ag1A) \\sim Ueq, Uanis(Ag17) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(Ag1A) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
Uanis(C178) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C137) \\sim Ueq, Uanis(C131) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C175) \\sim Ueq, Uanis(C174) \\sim Ueq, Uanis(C173) \\sim Ueq,
Uanis(C176) \\sim Ueq, Uanis(C172) \\sim Ueq, Uanis(C171) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
Uanis(F14) \\sim Ueq, Uanis(C139) \\sim Ueq, Uanis(C149) \\sim Ueq, Uanis(C103)
\\sim Ueq, Uanis(C32) \\sim Ueq, Uanis(C87) \\sim Ueq, Uanis(C117) \\sim Ueq:
with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C162) \\sim Ueq, Uanis(C163) \\sim Ueq, Uanis(C164) \\sim Ueq,
Uanis(C165) \\sim Ueq, Uanis(C160) \\sim Ueq, Uanis(C161) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
Uanis(C150) \\sim Ueq, Uanis(C154) \\sim Ueq, Uanis(C86) \\sim Ueq, Uanis(C159)
\\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C183) \\sim Ueq, Uanis(C181) \\sim Ueq, Uanis(C182) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
Uanis(C179) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C184) \\sim Ueq, Uanis(C4) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C136) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C185) \\sim Ueq, Uanis(C187) \\sim Ueq, Uanis(C186) \\sim Ueq, Uanis(F17)
\\sim Ueq, Uanis(C168) \\sim Ueq, Uanis(C134) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.02
Uanis(C194) \\sim Ueq, Uanis(C191) \\sim Ueq, Uanis(C158) \\sim Ueq,
Uanis(C192) \\sim Ueq, Uanis(C189) \\sim Ueq, Uanis(C190) \\sim Ueq,
Uanis(C193) \\sim Ueq, Uanis(F18) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C75) \\sim Ueq, Uanis(C74) \\sim Ueq, Uanis(C70) \\sim Ueq, Uanis(C71)
\\sim Ueq, Uanis(C72) \\sim Ueq, Uanis(C73) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.02
Uanis(C70) \\sim Ueq, Uanis(C71) \\sim Ueq, Uanis(C72) \\sim Ueq, Uanis(C73)
\\sim Ueq, Uanis(C74) \\sim Ueq, Uanis(C75) \\sim Ueq, Uanis(C196) \\sim Ueq,
Uanis(C197) \\sim Ueq, Uanis(C198) \\sim Ueq, Uanis(C199) \\sim Ueq,
Uanis(C200) \\sim Ueq, Uanis(C201) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C47) \\sim Ueq, Uanis(C177) \\sim Ueq, Uanis(C202) \\sim Ueq, Uanis(C203)
\\sim Ueq, Uanis(C204) \\sim Ueq, Uanis(C205) \\sim Ueq, Uanis(C206) \\sim Ueq,
Uanis(C207) \\sim Ueq, Uanis(C208) \\sim Ueq, Uanis(C209) \\sim Ueq,
Uanis(C210) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(F9) \\sim Ueq, Uanis(F14) \\sim Ueq: with sigma of 0.005 and sigma for
terminal atoms of 0.01
Uanis(F17) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
Uanis(C142) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(Ag18) \\sim Ueq, Uanis(Ag34) \\sim Ueq: with sigma of 0.005 and sigma for
terminal atoms of 0.01
Uanis(Ag20) = Uanis(Ag32)
Uanis(Ag34) = Uanis(Ag18)
6. Others
 Sof(Ag26)=0.9*(1-FVAR(2))
 Sof(Ag25)=0.9*FVAR(2)
 Sof(Ag29)=1-FVAR(2)
 Sof(Ag24)=FVAR(2)
 Sof(Ag28)=1-FVAR(3)
 Sof(Ag16)=FVAR(3)
 Sof(Ag30)=1-FVAR(4)
 Sof(Ag22)=FVAR(4)
 Sof(Ag27)=1-FVAR(5)
 Sof(Ag19)=FVAR(5)
 Sof(Ag33)=1-FVAR(6)
 Sof(Ag23)=FVAR(6)
 Sof(Ag18)=1-FVAR(7)
 Sof(Ag32)=0.9*(1-FVAR(8))
 Sof(Ag20)=0.9*FVAR(8)
 Sof(Ag34)=FVAR(7)
 Sof(Ag1A)=1-FVAR(8)
 Sof(Ag17)=FVAR(8)
 Sof(C179)=Sof(H179)=Sof(C180)=Sof(H180)=Sof(C181)=Sof(H181)=Sof(C182)=
 Sof(H182)=Sof(C183)=Sof(H183)=Sof(C184)=1-FVAR(9)
 Sof(C4)=Sof(C86)=Sof(H86)=Sof(C150)=Sof(H150)=Sof(C154)=Sof(H154)=Sof(C159)=
 Sof(H159)=Sof(C167)=Sof(H167)=FVAR(9)
 Sof(C189)=Sof(H189)=Sof(C192)=Sof(H192)=Sof(C194)=Sof(H194)=Sof(C195)=
 Sof(H195)=1-FVAR(10)
 Sof(C158)=Sof(H158)=Sof(C190)=Sof(H190)=Sof(C191)=Sof(H191)=Sof(C193)=
 Sof(H193)=FVAR(10)
 Sof(C196)=Sof(H196)=Sof(C197)=Sof(C198)=Sof(H198)=Sof(C199)=Sof(H199)=
 Sof(C200)=Sof(H200)=Sof(C201)=Sof(H201)=1-FVAR(11)
 Sof(C70)=Sof(C71)=Sof(H71)=Sof(C72)=Sof(H72)=Sof(C73)=Sof(H73)=Sof(C74)=
 Sof(H74)=Sof(C75)=Sof(H75)=FVAR(11)
 Sof(C206)=Sof(H206)=Sof(C207)=Sof(H207)=Sof(C208)=Sof(H208)=Sof(C209)=
 Sof(H209)=Sof(C210)=Sof(H210)=1-FVAR(12)
 Sof(C177)=Sof(H177)=Sof(C202)=Sof(H202)=Sof(C203)=Sof(H203)=Sof(C204)=
 Sof(H204)=Sof(C205)=Sof(H205)=FVAR(12)
 Fixed Sof: Ag0A(0.1) Ag31(0.1) S22(0.5)
7.a Secondary CH2 refined with riding coordinates:
 C7(H7A,H7B), C17(H17A,H17B), C43(H43A,H43B), C44(H44A,H44B), C59(H59A,H59B),
 C64(H64A,H64B), C76(H76A,H76B), C80(H80A,H80B), C122(H12A,H12B)
7.b Aromatic/amide H refined with riding coordinates:
 C5(H5), C6(H6), C8(H8), C11(H11), C16(H16), C19(H19), C22(H22), C23(H23),
 C27(H27), C28(H28), C30(H30), C31(H31), C33(H33), C35(H35), C38(H38), C39(H39),
  C40(H40), C42(H42), C45(H45), C48(H48), C50(H50), C51(H51), C52(H52),
 C53(H53), C54(H54), C55(H55), C57(H57), C58(H58), C60(H60), C61(H61), C63(H63),
  C66(H66), C67(H67), C69(H69), C71(H71), C72(H72), C73(H73), C74(H74),
 C75(H75), C77(H77), C78(H78), C79(H79), C81(H81), C82(H82), C83(H83), C86(H86),
  C87(H87), C89(H89), C90(H90), C91(H91), C93(H93), C94(H94), C95(H95),
 C96(H96), C97(H97), C99(H99), C102(H102), C103(H103), C104(H104), C105(H105),
 C106(H106), C107(H107), C108(H108), C109(H109), C111(H111), C112(H112),
 C113(H113), C114(H114), C115(H115), C116(H116), C117(H117), C118(H118),
 C119(H119), C120(H120), C121(H121), C123(H123), C125(H125), C126(H126),
 C127(H127), C128(H128), C129(H129), C130(H130), C131(H131), C133(H133),
 C134(H134), C135(H135), C136(H136), C137(H137), C138(H138), C140(H140),
 C141(H141), C142(H142), C144(H144), C146(H146), C147(H147), C148(H148),
 C149(H149), C150(H150), C151(H151), C152(H152), C153(H153), C154(H154),
 C155(H155), C157(H157), C158(H158), C159(H159), C160(H160), C161(H161),
 C162(H162), C164(H164), C165(H165), C166(H166), C167(H167), C168(H168),
 C169(H169), C170(H170), C171(H171), C172(H172), C173(H173), C175(H175),
 C176(H176), C177(H177), C178(H178), C179(H179), C180(H180), C181(H181),
 C182(H182), C183(H183), C185(H185), C186(H186), C189(H189), C190(H190),
 C191(H191), C192(H192), C193(H193), C194(H194), C195(H195), C196(H196),
 C198(H198), C199(H199), C200(H200), C201(H201), C202(H202), C203(H203),
 C204(H204), C205(H205), C206(H206), C207(H207), C208(H208), C209(H209),
 C210(H210)
7.c Fitted hexagon refined as free rotating group:
 C26(C27,C28,C29,C30,C31), C70(C71,C72,C73,C74,C75), C160(C161,C162,C163,C164,
 C165), C171(C172,C173,C174,C175,C176), C196(C197,C198,C199,C200,C201)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_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
Ag0A Ag 0.5113(3) 0.4572(5) 0.4302(5) 0.098(3) Uani 0.1 1 d . U P A 2
Ag1 Ag 0.70025(2) 0.25832(3) 0.53686(2) 0.05584(17) Uani 1 1 d . . . . .
Ag1A Ag 0.4406(3) 0.4033(3) 0.3422(6) 0.111(3) Uani 0.244(11) 1 d . U P A 2
Ag2 Ag 0.38106(2) 0.66778(3) 0.37093(2) 0.05844(18) Uani 1 1 d . . . . .
Ag3 Ag 0.39130(2) 0.79867(3) 0.36304(2) 0.05865(18) Uani 1 1 d . . . . .
Ag4 Ag 0.48313(3) 0.65883(4) 0.26756(2) 0.0681(2) Uani 1 1 d . . . . .
Ag5 Ag 0.52507(3) 0.28529(4) 0.29729(2) 0.0780(3) Uani 1 1 d . . . . .
Ag6 Ag 0.65649(3) 0.25144(3) 0.39634(3) 0.0750(2) Uani 1 1 d . . . . .
Ag7 Ag 0.45012(3) 0.40883(4) 0.60674(3) 0.0763(2) Uani 1 1 d . . . . .
Ag8 Ag 0.57087(3) 0.55777(4) 0.50447(3) 0.0775(2) Uani 1 1 d . . . . .
Ag9 Ag 0.36188(3) 0.57419(4) 0.45264(3) 0.0779(2) Uani 1 1 d . . . . .
Ag10 Ag 0.47992(3) 0.71065(4) 0.38435(3) 0.0806(3) Uani 1 1 d . . . . .
Ag11 Ag 0.40031(3) 0.49513(4) 0.37978(3) 0.0797(2) Uani 1 1 d . . . . .
Ag12 Ag 0.66489(3) 0.37595(5) 0.45836(3) 0.0851(3) Uani 1 1 d . . . . .
Ag13 Ag 0.51056(3) 0.29155(5) 0.52777(3) 0.0834(3) Uani 1 1 d . . . . .
Ag14 Ag 0.46488(3) 0.34383(4) 0.42293(3) 0.0861(3) Uani 1 1 d . . . . .
Ag15 Ag 0.39586(3) 0.53275(5) 0.58024(3) 0.0889(3) Uani 1 1 d . . . . .
Ag16 Ag 0.52872(3) 0.48668(4) 0.30917(3) 0.0528(4) Uani 0.720(3) 1 d . . P A 1
Ag17 Ag 0.44345(5) 0.41219(8) 0.32318(9) 0.0670(7) Uani 0.756(11) 1 d . U P A 1
Ag18 Ag 0.5359(3) 0.2823(4) 0.3983(3) 0.0887(4) Uani 0.1615(19) 1 d . U P A 1
Ag19 Ag 0.45870(4) 0.48484(6) 0.23323(3) 0.0592(5) Uani 0.675(3) 1 d . . P A 1
Ag20 Ag 0.50983(4) 0.44516(4) 0.39271(3) 0.0674(3) Uani 0.7546(17) 1 d . . P A
1
Ag21 Ag 0.42663(4) 0.58128(5) 0.32426(3) 0.1057(4) Uani 1 1 d . . . . .
Ag22 Ag 0.58136(9) 0.38729(6) 0.35475(3) 0.0840(7) Uani 0.829(6) 1 d . . P A 1
Ag23 Ag 0.60335(3) 0.30069(5) 0.51558(4) 0.0752(4) Uani 0.770(3) 1 d . . P A 1
Ag24 Ag 0.47221(5) 0.54722(6) 0.43913(3) 0.0916(5) Uani 0.738(3) 1 d . . P A 1
Ag25 Ag 0.55116(8) 0.39326(10) 0.49659(6) 0.1024(9) Uani 0.552(3) 1 d . . P A 1
Ag26 Ag 0.52481(7) 0.43789(9) 0.47530(6) 0.0603(8) Uani 0.348(3) 1 d . . P A -1
Ag27 Ag 0.47398(9) 0.44883(13) 0.25009(8) 0.0671(11) Uani 0.325(3) 1 d . . P A
2
Ag28 Ag 0.52029(10) 0.53320(18) 0.31417(8) 0.0766(14) Uani 0.280(3) 1 d . . P A
2
Ag29 Ag 0.45427(10) 0.58800(13) 0.40887(9) 0.0655(11) Uani 0.262(3) 1 d . . P A
2
Ag30 Ag 0.5514(4) 0.3890(3) 0.3595(2) 0.084(3) Uani 0.171(6) 1 d . U P A 2
Ag31 Ag 0.5403(2) 0.4289(3) 0.51059(18) 0.0462(14) Uani 0.1 1 d . . P A 2
Ag32 Ag 0.5027(2) 0.4879(3) 0.44367(18) 0.0674(3) Uani 0.1454(17) 1 d . U P A
-1
Ag33 Ag 0.58991(15) 0.3127(2) 0.4678(2) 0.113(2) Uani 0.230(3) 1 d . U P A 2
Ag34 Ag 0.55560(5) 0.27776(6) 0.40470(5) 0.0887(4) Uani 0.8385(19) 1 d . U P A
-1
S1 S 0.33202(7) 0.74625(9) 0.39318(6) 0.0470(5) Uani 1 1 d . . . . .
S2 S 0.45424(8) 0.78964(10) 0.41987(7) 0.0539(5) Uani 1 1 d . . . . .
S3 S 0.63983(8) 0.23813(10) 0.47371(7) 0.0578(6) Uani 1 1 d . . . . .
S4 S 0.34064(8) 0.56610(10) 0.37795(7) 0.0559(5) Uani 1 1 d . . . . .
S5 S 0.49788(8) 0.26000(10) 0.45683(7) 0.0566(5) Uani 1 1 d . U . . .
S6 S 0.65775(9) 0.35739(10) 0.38680(8) 0.0625(6) Uani 1 1 d . . . . .
S7 S 0.40023(9) 0.47576(11) 0.64102(7) 0.0618(6) Uani 1 1 d . . . . .
S8 S 0.36442(8) 0.50963(10) 0.51139(7) 0.0575(5) Uani 1 1 d . . . . .
S9 S 0.50546(8) 0.55960(11) 0.25284(8) 0.0619(6) Uani 1 1 d . . . . .
S10 S 0.40239(9) 0.41036(11) 0.42141(8) 0.0623(6) Uani 1 1 d . . . . .
S11 S 0.44450(9) 0.35739(11) 0.54166(7) 0.0613(6) Uani 1 1 d . . . . .
S12 S 0.58335(9) 0.23636(11) 0.34686(8) 0.0671(7) Uani 1 1 d . . . . .
S13 S 0.70778(10) 0.36019(11) 0.52196(8) 0.0655(6) Uani 1 1 d . . . . .
S14 S 0.40383(9) 0.67038(12) 0.29871(7) 0.0628(6) Uani 1 1 d . . . . .
S15 S 0.42719(9) 0.64206(11) 0.43791(8) 0.0687(7) Uani 1 1 d . . . . .
S16 S 0.40409(9) 0.48284(12) 0.28804(7) 0.0639(6) Uani 1 1 d . . . . .
S17 S 0.55537(11) 0.37865(10) 0.42763(8) 0.0685(7) Uani 1 1 d . . . . .
S18 S 0.46321(10) 0.31727(13) 0.34076(8) 0.0750(8) Uani 1 1 d . . . . .
S19 S 0.52681(11) 0.67062(12) 0.33768(7) 0.0697(7) Uani 1 1 d . . . . .
S20 S 0.54752(12) 0.39057(12) 0.28521(8) 0.0807(9) Uani 1 1 d . . . . .
S21 S 0.48167(9) 0.52646(12) 0.36679(8) 0.0679(7) Uani 1 1 d . . . . .
S22 S 0.49363(18) 0.5095(2) 0.51129(15) 0.0612(12) Uani 0.5 1 d . . P A .
P1 P 0.72154(8) 0.20127(12) 0.37848(7) 0.0582(6) Uani 1 1 d . . . . .
P2 P 0.75712(9) 0.18995(12) 0.52633(7) 0.0591(6) Uani 1 1 d . . . . .
P3 P 0.39824(8) 0.85837(11) 0.30666(7) 0.0554(6) Uani 1 1 d . . . . .
P4 P 0.48354(11) 0.73142(12) 0.21664(8) 0.0666(7) Uani 1 1 d . . . . .
P5 P 0.43949(9) 0.42410(15) 0.17864(9) 0.0750(9) Uani 1 1 d . . . . .
P6 P 0.50546(12) 0.24208(16) 0.23168(9) 0.0893(11) Uani 1 1 d . U . . .
F1 F 0.1633(2) 0.7124(4) 0.2923(2) 0.112(3) Uani 1 1 d . . . . .
F2 F 0.2759(3) 0.2338(4) 0.5254(3) 0.106(3) Uani 1 1 d . . . . .
F3 F 0.2256(3) 0.3792(5) 0.6664(3) 0.126(3) Uani 1 1 d . . . . .
F4 F 0.1569(3) 0.4946(4) 0.3266(3) 0.116(3) Uani 1 1 d . . . . .
F5 F 0.6873(3) 0.8043(4) 0.3211(3) 0.120(3) Uani 1 1 d . . . . .
F6 F 0.2381(3) 0.4037(4) 0.2013(3) 0.123(3) Uani 1 1 d . . . . .
F7 F 0.1861(3) 0.4110(4) 0.5159(3) 0.121(3) Uani 1 1 d . . . . .
F8 F 0.2566(4) 0.5993(4) 0.1814(3) 0.127(3) Uani 1 1 d . . . . .
F9 F 0.2211(3) 0.3155(4) 0.4042(3) 0.124(3) Uani 1 1 d . U . . .
F10 F 0.7128(5) 0.4018(6) 0.2035(4) 0.162(5) Uani 1 1 d . . . . .
F11 F 0.6727(4) 0.5870(6) 0.1780(4) 0.163(5) Uani 1 1 d . . . . .
F12 F 0.5712(4) 0.0152(4) 0.4956(4) 0.135(4) Uani 1 1 d . . . . .
F13 F 0.3031(4) 0.1869(5) 0.2944(4) 0.153(4) Uani 1 1 d . . . . .
F14 F 0.5141(4) 0.0101(4) 0.3329(4) 0.153(4) Uani 1 1 d . U . . .
F15 F 0.8280(4) 0.4160(7) 0.3218(5) 0.201(6) Uani 1 1 d . U . . .
F16 F 0.8970(4) 0.4191(6) 0.5167(6) 0.201(6) Uani 1 1 d . U . . .
F17 F 0.3893(5) 0.0606(6) 0.4390(5) 0.192(4) Uani 1 1 d . U . . .
F18 F 0.5795(4) 0.9704(4) 0.3999(3) 0.149(4) Uani 1 1 d . U . . .
C1 C 0.2856(3) 0.5422(3) 0.3630(3) 0.050(2) Uani 1 1 d . . . . .
C2 C 0.7210(4) 0.1282(5) 0.3880(3) 0.061(2) Uani 1 1 d . . . . .
C3 C 0.3468(3) 0.4470(4) 0.6496(3) 0.055(2) Uani 1 1 d . . . . .
C4 C 0.7388(7) 0.2009(9) 0.3251(6) 0.053(5) Uani 0.626(13) 1 d . U P B 1
C5 C 0.3400(4) 0.3908(5) 0.6453(3) 0.069(3) Uani 1 1 d . . . . .
H5 H 0.363135 0.368571 0.638269 0.082 Uiso 1 1 calc R . . . .
C6 C 0.5581(5) 0.5545(5) 0.1892(4) 0.079(3) Uani 1 1 d . . . . .
H6 H 0.533321 0.540437 0.173999 0.095 Uiso 1 1 calc R . . . .
C7 C 0.4749(4) 0.8086(4) 0.2776(3) 0.064(3) Uani 1 1 d . . . . .
H7A H 0.506942 0.812628 0.277424 0.077 Uiso 1 1 calc R . . . .
H7B H 0.469350 0.780475 0.297037 0.077 Uiso 1 1 calc R . . . .
C8 C 0.5931(3) 0.5883(5) 0.2520(3) 0.068(3) Uani 1 1 d . . . . .
H8 H 0.591353 0.596720 0.278913 0.082 Uiso 1 1 calc R . . . .
C9 C 0.2829(3) 0.7367(4) 0.3611(2) 0.048(2) Uani 1 1 d . . . . .
C10 C 0.6178(3) 0.1720(4) 0.4814(3) 0.059(2) Uani 1 1 d . . . . .
C11 C 0.2532(4) 0.5433(4) 0.3895(3) 0.061(2) Uani 1 1 d . . . . .
H11 H 0.260801 0.554092 0.415904 0.074 Uiso 1 1 calc R . . . .
C12 C 0.4917(3) 0.8436(4) 0.4126(3) 0.058(2) Uani 1 1 d D . . . .
C13 C 0.3619(3) 0.8416(4) 0.2619(3) 0.057(2) Uani 1 1 d . . . . .
C14 C 0.5740(4) 0.7140(5) 0.3334(3) 0.072(3) Uani 1 1 d . . . . .
C15 C 0.3115(3) 0.4787(4) 0.5134(3) 0.057(2) Uani 1 1 d . . . . .
C16 C 0.6281(4) 0.1436(5) 0.5163(3) 0.068(3) Uani 1 1 d . . . . .
H16 H 0.645045 0.160673 0.537396 0.081 Uiso 1 1 calc R . . . .
C17 C 0.4546(3) 0.8636(4) 0.2903(3) 0.056(2) Uani 1 1 d . . . . .
H17A H 0.453785 0.888813 0.267833 0.067 Uiso 1 1 calc R . . . .
H17B H 0.474113 0.879290 0.312037 0.067 Uiso 1 1 calc R . . . .
C18 C 0.5562(4) 0.5673(4) 0.2289(3) 0.064(3) Uani 1 1 d . . . . .
C19 C 0.2591(3) 0.6878(4) 0.3627(3) 0.055(2) Uani 1 1 d . . . . .
H19 H 0.269986 0.660510 0.380398 0.066 Uiso 1 1 calc R . . . .
C20 C 0.8144(4) 0.2014(5) 0.5475(3) 0.069(3) Uani 1 1 d . . . . .
C21 C 0.3599(4) 0.6492(4) 0.2645(3) 0.068(3) Uani 1 1 d . . . . .
C22 C 0.2929(4) 0.4713(5) 0.5495(3) 0.066(3) Uani 1 1 d . . . . .
H22 H 0.308881 0.481781 0.573378 0.080 Uiso 1 1 calc R . . . .
C23 C 0.3352(4) 0.7955(4) 0.2629(3) 0.061(2) Uani 1 1 d . . . . .
H23 H 0.335292 0.775405 0.286490 0.073 Uiso 1 1 calc R . . . .
C24 C 0.1995(4) 0.5115(5) 0.3378(4) 0.076(3) Uani 1 1 d . . . . .
C25 C 0.7095(5) 0.3724(5) 0.3677(4) 0.075(3) Uani 1 1 d . . . . .
C26 C 0.5973(3) 0.3942(4) 0.2603(2) 0.084(4) Uani 1 1 d . . . . .
C27 C 0.6155(4) 0.3468(3) 0.2454(3) 0.108(5) Uani 1 1 d G . . . .
H27 H 0.601737 0.313186 0.248414 0.130 Uiso 1 1 calc R . . . .
C28 C 0.6544(4) 0.3499(4) 0.2261(3) 0.118(6) Uani 1 1 d G . . . .
H28 H 0.666592 0.318209 0.216163 0.142 Uiso 1 1 calc R . . . .
C29 C 0.6750(3) 0.4002(5) 0.2217(3) 0.108(5) Uani 1 1 d G . . . .
C30 C 0.6568(4) 0.4475(3) 0.2366(3) 0.111(5) Uani 1 1 d G . . . .
H30 H 0.670583 0.481141 0.233584 0.133 Uiso 1 1 calc R . . . .
C31 C 0.6179(4) 0.4445(3) 0.2559(3) 0.103(5) Uani 1 1 d G . . . .
H31 H 0.605727 0.476119 0.265836 0.123 Uiso 1 1 calc R . . . .
C32 C 0.5633(4) 0.1682(5) 0.3444(3) 0.069(3) Uani 1 1 d . U . . .
C33 C 0.6325(4) 0.5965(6) 0.2345(5) 0.091(4) Uani 1 1 d . . . . .
H33 H 0.657428 0.610986 0.249361 0.109 Uiso 1 1 calc R . . . .
C34 C 0.2034(4) 0.7212(6) 0.3148(3) 0.074(3) Uani 1 1 d . . . . .
C35 C 0.7583(5) 0.0951(6) 0.3878(4) 0.085(4) Uani 1 1 d . . . . .
H35 H 0.785078 0.110529 0.381530 0.102 Uiso 1 1 calc R . . . .
C36 C 0.3547(3) 0.4573(4) 0.2625(3) 0.056(2) Uani 1 1 d . . . . .
C37 C 0.3948(3) 0.3198(4) 0.5370(3) 0.057(2) Uani 1 1 d . . . . .
C38 C 0.3364(4) 0.4839(5) 0.2275(3) 0.068(3) Uani 1 1 d . . . . .
H38 H 0.350690 0.514224 0.217662 0.082 Uiso 1 1 calc R . . . .
C39 C 0.8222(3) 0.2228(4) 0.5863(3) 0.063(3) Uani 1 1 d . . . . .
H39 H 0.798037 0.228321 0.601228 0.075 Uiso 1 1 calc R . . . .
C40 C 0.3142(5) 0.4780(6) 0.6605(4) 0.082(3) Uani 1 1 d . . . . .
H40 H 0.319230 0.515330 0.664420 0.099 Uiso 1 1 calc R . . . .
C41 C 0.4846(3) 0.4070(7) 0.1479(4) 0.088(4) Uani 1 1 d D . . . .
C42 C 0.7771(5) 0.4203(5) 0.4966(4) 0.080(3) Uani 1 1 d . . . . .
H42 H 0.755223 0.440502 0.481712 0.096 Uiso 1 1 calc R . . . .
C43 C 0.4548(4) 0.7911(5) 0.2361(3) 0.068(3) Uani 1 1 d . . . . .
H43A H 0.456408 0.821559 0.217584 0.082 Uiso 1 1 calc R . . . .
H43B H 0.423547 0.782219 0.237347 0.082 Uiso 1 1 calc R . . . .
C44 C 0.7735(4) 0.2251(7) 0.4060(3) 0.086(4) Uani 1 1 d . . . . .
H44A H 0.796758 0.198249 0.403114 0.103 Uiso 1 1 calc R . . . .
H44B H 0.782540 0.259183 0.394253 0.103 Uiso 1 1 calc R . . . .
C45 C 0.2873(4) 0.4617(5) 0.4783(3) 0.067(3) Uani 1 1 d . . . . .
H45 H 0.299576 0.465109 0.453974 0.081 Uiso 1 1 calc R . . . .
C46 C 0.3490(4) 0.3798(4) 0.4160(3) 0.056(2) Uani 1 1 d . . . . .
C47 C 0.3854(4) 0.9294(5) 0.3170(3) 0.063(2) Uani 1 1 d . U . . .
C48 C 0.5283(3) 0.4161(5) 0.1635(3) 0.075(3) Uani 1 1 d D . . . .
H48 H 0.533930 0.432672 0.188494 0.090 Uiso 1 1 calc R . . . .
C49 C 0.7647(4) 0.3773(4) 0.5192(3) 0.070(3) Uani 1 1 d . . . . .
C50 C 0.3079(4) 0.7787(5) 0.2288(3) 0.072(3) Uani 1 1 d . . . . .
H50 H 0.291231 0.746638 0.229440 0.087 Uiso 1 1 calc R . . . .
C51 C 0.6357(5) 0.7672(6) 0.3626(4) 0.084(3) Uani 1 1 d . . . . .
H51 H 0.651595 0.782053 0.385214 0.100 Uiso 1 1 calc R . . . .
C52 C 0.2249(3) 0.7694(6) 0.3118(3) 0.074(3) Uani 1 1 d . . . . .
H52 H 0.213318 0.796307 0.294141 0.089 Uiso 1 1 calc R . . . .
C53 C 0.2645(3) 0.7781(4) 0.3355(3) 0.056(2) Uani 1 1 d . . . . .
H53 H 0.279035 0.811627 0.334500 0.068 Uiso 1 1 calc R . . . .
C54 C 0.5989(6) 0.5633(8) 0.1717(5) 0.111(5) Uani 1 1 d . . . . .
H54 H 0.601226 0.555419 0.144799 0.133 Uiso 1 1 calc R . . . .
C55 C 0.2509(4) 0.4483(6) 0.5504(4) 0.084(4) Uani 1 1 d . . . . .
H55 H 0.238571 0.442958 0.574566 0.101 Uiso 1 1 calc R . . . .
C56 C 0.5356(4) 0.7564(5) 0.2011(3) 0.072(3) Uani 1 1 d . . . . .
C57 C 0.5975(4) 0.7367(5) 0.3663(3) 0.071(3) Uani 1 1 d . . . . .
H57 H 0.587695 0.731533 0.391609 0.085 Uiso 1 1 calc R . . . .
C58 C 0.3938(4) 0.2659(4) 0.5260(3) 0.063(2) Uani 1 1 d . . . . .
H58 H 0.420350 0.248750 0.521013 0.075 Uiso 1 1 calc R . . . .
C59 C 0.7604(4) 0.1821(5) 0.4728(3) 0.069(3) Uani 1 1 d . . . . .
H59A H 0.784127 0.156391 0.468634 0.083 Uiso 1 1 calc R . . . .
H59B H 0.732674 0.166085 0.461098 0.083 Uiso 1 1 calc R . . . .
C60 C 0.2999(4) 0.3678(6) 0.6513(4) 0.076(3) Uani 1 1 d . . . . .
H60 H 0.295522 0.330163 0.648812 0.091 Uiso 1 1 calc R . . . .
C61 C 0.5910(4) 0.1466(4) 0.4505(3) 0.068(3) Uani 1 1 d . . . . .
H61 H 0.584373 0.165154 0.426370 0.082 Uiso 1 1 calc R . . . .
C62 C 0.7429(4) 0.1208(5) 0.5431(3) 0.069(3) Uani 1 1 d . . . . .
C63 C 0.6076(6) 0.7321(7) 0.1788(5) 0.102(4) Uani 1 1 d . U . . .
H63 H 0.628103 0.705777 0.172401 0.123 Uiso 1 1 calc R . . . .
C64 C 0.4114(3) 0.3593(5) 0.1875(3) 0.068(3) Uani 1 1 d . . . . .
H64A H 0.382847 0.367581 0.197443 0.082 Uiso 1 1 calc R . . . .
H64B H 0.405326 0.340701 0.161973 0.082 Uiso 1 1 calc R . . . .
C65 C 0.2656(4) 0.4020(6) 0.6613(4) 0.083(4) Uani 1 1 d . . . . .
C66 C 0.5684(5) 0.7178(5) 0.1910(3) 0.079(3) Uani 1 1 d . . . . .
H66 H 0.562075 0.680633 0.193086 0.095 Uiso 1 1 calc R . . . .
C67 C 0.2312(5) 0.5093(5) 0.3114(4) 0.086(4) Uani 1 1 d . . . . .
H67 H 0.223887 0.497476 0.285135 0.103 Uiso 1 1 calc R . . . .
C68 C 0.6340(5) 0.5830(7) 0.1949(5) 0.099(5) Uani 1 1 d . . . . .
C69 C 0.3540(4) 0.3446(5) 0.5451(3) 0.067(3) Uani 1 1 d . . . . .
H69 H 0.353585 0.381148 0.552993 0.080 Uiso 1 1 calc R . . . .
C70 C 0.4449(8) 0.7140(10) 0.1693(5) 0.093(10) Uani 0.56(2) 1 d . U P C 1
C71 C 0.4621(7) 0.6767(10) 0.1434(7) 0.107(5) Uani 0.56(2) 1 d G U P C 1
H71 H 0.488246 0.657918 0.151283 0.128 Uiso 0.56(2) 1 calc R . P C 1
C72 C 0.4401(8) 0.6676(9) 0.1056(6) 0.109(5) Uani 0.56(2) 1 d G U P C 1
H72 H 0.451595 0.642648 0.088194 0.131 Uiso 0.56(2) 1 calc R . P C 1
C73 C 0.4009(8) 0.6957(9) 0.0937(5) 0.104(9) Uani 0.56(2) 1 d G U P C 1
H73 H 0.386248 0.689596 0.068420 0.125 Uiso 0.56(2) 1 calc R . P C 1
C74 C 0.3837(7) 0.7330(9) 0.1197(6) 0.123(11) Uani 0.56(2) 1 d G U P C 1
H74 H 0.357552 0.751813 0.111734 0.148 Uiso 0.56(2) 1 calc R . P C 1
C75 C 0.4057(8) 0.7421(9) 0.1575(6) 0.109(9) Uani 0.56(2) 1 d G U P C 1
H75 H 0.394203 0.767083 0.174823 0.131 Uiso 0.56(2) 1 calc R . P C 1
C76 C 0.4752(4) 0.2925(6) 0.1993(4) 0.091(4) Uani 1 1 d . . . . .
H76A H 0.495861 0.320825 0.192506 0.109 Uiso 1 1 calc R . . . .
H76B H 0.463755 0.274726 0.174545 0.109 Uiso 1 1 calc R . . . .
C77 C 0.3159(4) 0.4022(4) 0.3896(3) 0.060(2) Uani 1 1 d . . . . .
H77 H 0.322228 0.432693 0.374483 0.072 Uiso 1 1 calc R . . . .
C78 C 0.6822(4) 0.1042(5) 0.3980(4) 0.075(3) Uani 1 1 d . . . . .
H78 H 0.656505 0.125352 0.397926 0.090 Uiso 1 1 calc R . . . .
C79 C 0.3060(5) 0.8100(6) 0.1945(4) 0.087(4) Uani 1 1 d . . . . .
H79 H 0.286473 0.800645 0.172373 0.104 Uiso 1 1 calc R . . . .
C80 C 0.7687(4) 0.2341(6) 0.4507(3) 0.076(3) Uani 1 1 d . . . . .
H80A H 0.795663 0.251094 0.463018 0.091 Uiso 1 1 calc R . . . .
H80B H 0.744153 0.259154 0.453474 0.091 Uiso 1 1 calc R . . . .
C81 C 0.3321(5) 0.4138(5) 0.2750(3) 0.083(4) Uani 1 1 d . . . . .
H81 H 0.343525 0.395344 0.298028 0.099 Uiso 1 1 calc R . . . .
C82 C 0.3167(4) 0.6420(5) 0.2758(3) 0.066(3) Uani 1 1 d . . . . .
H82 H 0.311003 0.648368 0.302259 0.079 Uiso 1 1 calc R . . . .
C83 C 0.2743(4) 0.5247(5) 0.3241(3) 0.067(3) Uani 1 1 d . . . . .
H83 H 0.296132 0.523334 0.306179 0.081 Uiso 1 1 calc R . . . .
C84 C 0.4652(4) 0.2007(5) 0.4507(4) 0.082(3) Uani 1 1 d D U . . .
C85 C 0.4140(4) 0.2784(5) 0.3265(3) 0.070(3) Uani 1 1 d . . . . .
C86 C 0.7581(8) 0.2131(11) 0.2470(7) 0.074(6) Uani 0.626(13) 1 d . U P B 1
H86 H 0.765394 0.216650 0.220675 0.089 Uiso 0.626(13) 1 calc R . P B 1
C87 C 0.5863(5) 0.1289(6) 0.3266(4) 0.094(4) Uani 1 1 d . U . . .
H87 H 0.613138 0.137833 0.316403 0.113 Uiso 1 1 calc R . . . .
C88 C 0.2281(4) 0.4338(6) 0.5151(5) 0.088(4) Uani 1 1 d . . . . .
C89 C 0.2190(4) 0.6788(5) 0.3385(3) 0.068(3) Uani 1 1 d . . . . .
H89 H 0.203992 0.645465 0.338589 0.081 Uiso 1 1 calc R . . . .
C90 C 0.5894(5) 0.7239(5) 0.2966(3) 0.079(3) Uani 1 1 d . . . . .
H90 H 0.573270 0.709846 0.273838 0.094 Uiso 1 1 calc R . . . .
C91 C 0.2091(4) 0.5285(5) 0.3774(4) 0.077(3) Uani 1 1 d . . . . .
H91 H 0.187008 0.529932 0.395054 0.092 Uiso 1 1 calc R . . . .
C92 C 0.6494(5) 0.7751(6) 0.3267(5) 0.091(4) Uani 1 1 d . . . . .
C93 C 0.6140(4) 0.0900(6) 0.5213(4) 0.082(3) Uani 1 1 d . . . . .
H93 H 0.622476 0.070792 0.544752 0.098 Uiso 1 1 calc R . . . .
C94 C 0.3332(5) 0.8554(6) 0.1930(4) 0.090(4) Uani 1 1 d . . . . .
H94 H 0.333217 0.874913 0.169124 0.108 Uiso 1 1 calc R . . . .
C95 C 0.5468(6) 0.8110(7) 0.1970(5) 0.101(4) Uani 1 1 d . U . . .
H95 H 0.526747 0.838180 0.203021 0.122 Uiso 1 1 calc R . . . .
C96 C 0.2734(4) 0.3800(5) 0.3853(3) 0.079(3) Uani 1 1 d . . . . .
H96 H 0.251295 0.395804 0.367719 0.094 Uiso 1 1 calc R . . . .
C97 C 0.3535(4) 0.2354(5) 0.5220(3) 0.067(3) Uani 1 1 d . . . . .
H97 H 0.353248 0.198887 0.513844 0.080 Uiso 1 1 calc R . . . .
C98 C 0.3151(4) 0.2611(5) 0.5303(4) 0.075(3) Uani 1 1 d . . . . .
C99 C 0.3669(5) 0.6419(6) 0.2234(4) 0.088(4) Uani 1 1 d . . . . .
H99 H 0.394861 0.648125 0.214637 0.106 Uiso 1 1 calc R . . . .
C100 C 0.2643(5) 0.3353(7) 0.4068(3) 0.096(5) Uani 1 1 d . . . . .
C101 C 0.2767(4) 0.4200(6) 0.2229(4) 0.083(4) Uani 1 1 d . . . . .
C102 C 0.6804(5) 0.0495(6) 0.4082(4) 0.092(4) Uani 1 1 d . . . . .
H102 H 0.654179 0.034419 0.415954 0.111 Uiso 1 1 calc R . . . .
C103 C 0.5229(5) 0.1538(6) 0.3581(4) 0.091(4) Uani 1 1 d . U . . .
H103 H 0.506157 0.180658 0.369479 0.109 Uiso 1 1 calc R . . . .
C104 C 0.3608(4) 0.8726(5) 0.2264(3) 0.069(3) Uani 1 1 d . . . . .
H104 H 0.378043 0.904021 0.225269 0.083 Uiso 1 1 calc R . . . .
C105 C 0.7175(7) 0.0179(7) 0.4069(5) 0.116(6) Uani 1 1 d . . . . .
H105 H 0.716185 -0.019223 0.413122 0.139 Uiso 1 1 calc R . . . .
C106 C 0.3151(4) 0.3150(6) 0.5413(4) 0.076(3) Uani 1 1 d . . . . .
H106 H 0.288403 0.331815 0.546244 0.091 Uiso 1 1 calc R . . . .
C107 C 0.5637(4) 0.4007(7) 0.1419(4) 0.106(5) Uani 1 1 d D . . . .
H107 H 0.593055 0.406527 0.152405 0.127 Uiso 1 1 calc R . . . .
C108 C 0.2728(5) 0.4569(7) 0.6665(5) 0.096(4) Uani 1 1 d . U . . .
H108 H 0.250136 0.479630 0.673807 0.115 Uiso 1 1 calc R . . . .
C109 C 0.2973(5) 0.4647(6) 0.2078(4) 0.088(4) Uani 1 1 d . . . . .
H109 H 0.284993 0.481843 0.184540 0.106 Uiso 1 1 calc R . . . .
C110 C 0.3999(4) 0.4594(6) 0.1433(4) 0.081(3) Uani 1 1 d . . . . .
C111 C 0.5745(5) 0.0959(6) 0.4548(4) 0.092(4) Uani 1 1 d . . . . .
H111 H 0.555083 0.080343 0.434684 0.110 Uiso 1 1 calc R . . . .
C112 C 0.7570(6) 0.0403(7) 0.3965(5) 0.111(5) Uani 1 1 d . . . . .
H112 H 0.782208 0.018535 0.395463 0.133 Uiso 1 1 calc R . . . .
C113 C 0.8646(4) 0.2360(6) 0.6031(4) 0.083(4) Uani 1 1 d . . . . .
H113 H 0.868568 0.252018 0.628440 0.099 Uiso 1 1 calc R . . . .
C114 C 0.2452(5) 0.4399(6) 0.4791(4) 0.085(4) Uani 1 1 d . . . . .
H114 H 0.228686 0.429546 0.455400 0.101 Uiso 1 1 calc R . . . .
C115 C 0.6272(6) 0.7535(6) 0.2916(4) 0.094(4) Uani 1 1 d . . . . .
H115 H 0.637483 0.758747 0.266491 0.112 Uiso 1 1 calc R . . . .
C116 C 0.7409(5) 0.0756(6) 0.5186(4) 0.095(4) Uani 1 1 d . . . . .
H116 H 0.748423 0.078905 0.492400 0.114 Uiso 1 1 calc R . . . .
C117 C 0.5701(6) 0.0738(6) 0.3231(5) 0.100(4) Uani 1 1 d . U . . .
H117 H 0.586904 0.046566 0.312093 0.120 Uiso 1 1 calc R . . . .
C118 C 0.3307(7) 0.6251(8) 0.1958(4) 0.111(5) Uani 1 1 d . . . . .
H118 H 0.335085 0.619255 0.169003 0.133 Uiso 1 1 calc R . . . .
C119 C 0.8513(5) 0.1932(7) 0.5275(4) 0.098(4) Uani 1 1 d . U . . .
H119 H 0.847601 0.179171 0.501551 0.117 Uiso 1 1 calc R . . . .
C120 C 0.3663(5) 0.4340(6) 0.1213(4) 0.092(4) Uani 1 1 d . . . . .
H120 H 0.363597 0.396228 0.123802 0.110 Uiso 1 1 calc R . . . .
C121 C 0.3724(5) 0.2969(6) 0.3337(4) 0.086(4) Uani 1 1 d . . . . .
H121 H 0.369669 0.330920 0.345748 0.103 Uiso 1 1 calc R . . . .
C122 C 0.4375(4) 0.3187(6) 0.2179(3) 0.081(4) Uani 1 1 d . . . . .
H12A H 0.448817 0.338595 0.241744 0.098 Uiso 1 1 calc R . . . .
H12B H 0.417258 0.290611 0.225804 0.098 Uiso 1 1 calc R . . . .
C123 C 0.7490(5) 0.3818(6) 0.3922(5) 0.091(4) Uani 1 1 d . . . . .
H123 H 0.748669 0.378976 0.419858 0.109 Uiso 1 1 calc R . . . .
C124 C 0.2898(6) 0.6177(6) 0.2087(5) 0.099(4) Uani 1 1 d . . . . .
C125 C 0.8221(5) 0.4348(6) 0.4953(6) 0.107(5) Uani 1 1 d . . . . .
H125 H 0.830212 0.464160 0.479755 0.129 Uiso 1 1 calc R . . . .
C126 C 0.7136(6) 0.3792(8) 0.3274(5) 0.110(5) Uani 1 1 d . U . . .
H126 H 0.688648 0.374369 0.309118 0.132 Uiso 1 1 calc R . . . .
C127 C 0.5864(7) 0.8252(9) 0.1843(6) 0.126(6) Uani 1 1 d . U . . .
H127 H 0.592555 0.862255 0.181457 0.152 Uiso 1 1 calc R . . . .
C128 C 0.7884(6) 0.3951(7) 0.3766(7) 0.118(6) Uani 1 1 d . . . . .
H128 H 0.814203 0.399221 0.393942 0.142 Uiso 1 1 calc R . . . .
C129 C 0.3389(5) 0.3334(5) 0.4362(3) 0.088(4) Uani 1 1 d . . . . .
H129 H 0.361154 0.316621 0.453001 0.106 Uiso 1 1 calc R . . . .
C130 C 0.7317(5) 0.1159(5) 0.5821(3) 0.085(4) Uani 1 1 d . . . . .
H130 H 0.733318 0.146521 0.598726 0.103 Uiso 1 1 calc R . . . .
C131 C 0.4764(6) 0.3852(8) 0.1101(5) 0.112(5) Uani 1 1 d . U . . .
H131 H 0.447212 0.382102 0.098698 0.134 Uiso 1 1 calc R . . . .
C132 C 0.5874(5) 0.0664(5) 0.4910(5) 0.091(4) Uani 1 1 d . . . . .
C133 C 0.6171(7) 0.7894(8) 0.1758(5) 0.121(6) Uani 1 1 d . . . . .
H133 H 0.644415 0.801170 0.167971 0.145 Uiso 1 1 calc R . . . .
C134 C 0.4757(5) 0.1557(5) 0.4747(4) 0.097(3) Uani 1 1 d D U . . .
H134 H 0.500399 0.157624 0.493577 0.117 Uiso 1 1 calc R . . . .
C135 C 0.2971(6) 0.3106(7) 0.4326(5) 0.103(4) Uani 1 1 d . U . . .
H135 H 0.290893 0.279398 0.446998 0.124 Uiso 1 1 calc R . . . .
C136 C 0.5545(6) 0.3762(8) 0.1045(5) 0.126(6) Uani 1 1 d D U . . .
H136 H 0.577597 0.365406 0.089656 0.151 Uiso 1 1 calc R . . . .
C137 C 0.5102(5) 0.3681(9) 0.0893(6) 0.134(6) Uani 1 1 d D U . . .
H137 H 0.503974 0.350877 0.064631 0.161 Uiso 1 1 calc R . . . .
C138 C 0.2824(5) 0.6255(5) 0.2483(4) 0.078(3) Uani 1 1 d . . . . .
H138 H 0.254128 0.619740 0.256532 0.094 Uiso 1 1 calc R . . . .
C139 C 0.5334(7) 0.0630(7) 0.3349(6) 0.110(5) Uani 1 1 d . U . . .
C140 C 0.2926(5) 0.3957(6) 0.2551(4) 0.086(4) Uani 1 1 d . . . . .
H140 H 0.277583 0.365942 0.264907 0.103 Uiso 1 1 calc R . . . .
C141 C 0.4184(5) 0.2272(6) 0.3087(4) 0.095(4) Uani 1 1 d . U . . .
H141 H 0.446255 0.213929 0.303599 0.114 Uiso 1 1 calc R . . . .
C142 C 0.9003(5) 0.2253(7) 0.5822(4) 0.096(4) Uani 1 1 d . U . . .
H142 H 0.929055 0.231913 0.593785 0.116 Uiso 1 1 calc R . . . .
C143 C 0.7905(7) 0.4022(8) 0.3377(7) 0.118(5) Uani 1 1 d . U . . .
C144 C 0.3359(6) 0.2674(7) 0.3239(5) 0.105(5) Uani 1 1 d . . . . .
H144 H 0.307960 0.280407 0.328964 0.126 Uiso 1 1 calc R . . . .
C145 C 0.3407(6) 0.2158(7) 0.3057(4) 0.105(5) Uani 1 1 d . . . . .
C146 C 0.8938(5) 0.2048(8) 0.5441(5) 0.109(5) Uani 1 1 d . U . . .
H146 H 0.918077 0.198749 0.529415 0.130 Uiso 1 1 calc R . . . .
C147 C 0.7968(5) 0.3484(6) 0.5420(5) 0.099(4) Uani 1 1 d . U . . .
H147 H 0.789027 0.317521 0.556170 0.119 Uiso 1 1 calc R . . . .
C148 C 0.3808(6) 0.1970(7) 0.2989(5) 0.102(4) Uani 1 1 d . U . . .
H148 H 0.383192 0.162687 0.287265 0.123 Uiso 1 1 calc R . . . .
C149 C 0.5063(6) 0.0991(8) 0.3551(6) 0.116(5) Uani 1 1 d . U . . .
H149 H 0.480054 0.088241 0.365494 0.139 Uiso 1 1 calc R . . . .
C150 C 0.7589(7) 0.2585(9) 0.2707(6) 0.077(5) Uani 0.626(13) 1 d . U P B 1
H150 H 0.765741 0.292646 0.260571 0.092 Uiso 0.626(13) 1 calc R . P B 1
C151 C 0.3730(7) 0.5442(7) 0.1096(7) 0.123(6) Uani 1 1 d . . . . .
H151 H 0.375996 0.581688 0.105367 0.148 Uiso 1 1 calc R . . . .
C152 C 0.3352(6) 0.4616(7) 0.0949(5) 0.121(6) Uani 1 1 d . . . . .
H152 H 0.311338 0.443211 0.081288 0.145 Uiso 1 1 calc R . . . .
C153 C 0.7277(6) 0.0249(7) 0.5325(5) 0.105(5) Uani 1 1 d . U . . .
H153 H 0.725811 -0.005334 0.515511 0.127 Uiso 1 1 calc R . . . .
C154 C 0.7492(6) 0.2526(8) 0.3104(5) 0.068(5) Uani 0.626(13) 1 d . U P B 1
H154 H 0.749703 0.283076 0.327093 0.082 Uiso 0.626(13) 1 calc R . P B 1
C155 C 0.7175(7) 0.0197(8) 0.5719(6) 0.125(6) Uani 1 1 d . U . . .
H155 H 0.710314 -0.014686 0.581464 0.151 Uiso 1 1 calc R . . . .
C156 C 0.8532(6) 0.4049(8) 0.5171(6) 0.125(6) Uani 1 1 d . U . . .
C157 C 0.7552(8) 0.3935(10) 0.3130(7) 0.142(7) Uani 1 1 d . U . . .
H157 H 0.757158 0.396752 0.285514 0.171 Uiso 1 1 calc R . . . .
C158 C 0.4899(7) 0.8928(6) 0.4325(6) 0.076(6) Uani 0.57(2) 1 d D U P D 1
H158 H 0.466944 0.896381 0.449115 0.091 Uiso 0.57(2) 1 calc R . P D 1
C159 C 0.7470(7) 0.1623(10) 0.2604(6) 0.085(6) Uani 0.626(13) 1 d . U P B 1
H159 H 0.747208 0.132078 0.243550 0.102 Uiso 0.626(13) 1 calc R . P B 1
C160 C 0.6301(4) 0.1997(7) 0.1654(5) 0.170(6) Uani 1 1 d . U . . .
H160 H 0.654918 0.190159 0.152311 0.204 Uiso 1 1 calc R . . . .
C161 C 0.5943(5) 0.2264(6) 0.1446(3) 0.149(7) Uani 1 1 d G U . . .
H161 H 0.595185 0.234668 0.117543 0.178 Uiso 1 1 calc R . . . .
C162 C 0.5573(4) 0.2406(5) 0.1642(3) 0.119(5) Uani 1 1 d G U . . .
H162 H 0.533311 0.258466 0.150250 0.143 Uiso 1 1 calc R . . . .
C163 C 0.5560(4) 0.2282(5) 0.2046(3) 0.109(3) Uani 1 1 d G U . . .
C164 C 0.5918(4) 0.2015(6) 0.2254(3) 0.144(4) Uani 1 1 d G U . . .
H164 H 0.590903 0.193248 0.252494 0.173 Uiso 1 1 calc R . . . .
C165 C 0.6288(4) 0.1873(7) 0.2059(5) 0.163(5) Uani 1 1 d G U . . .
H165 H 0.652778 0.169449 0.219788 0.196 Uiso 1 1 calc R . . . .
C166 C 0.8396(6) 0.3649(8) 0.5438(6) 0.128(6) Uani 1 1 d . U . . .
H166 H 0.860462 0.349755 0.562941 0.154 Uiso 1 1 calc R . . . .
C167 C 0.7353(7) 0.1562(8) 0.3001(5) 0.074(5) Uani 0.626(13) 1 d . . P B 1
H167 H 0.725538 0.122617 0.309013 0.089 Uiso 0.626(13) 1 calc R . P B 1
C168 C 0.4298(4) 0.1989(6) 0.4214(4) 0.111(3) Uani 1 1 d D U . . .
H168 H 0.423296 0.228559 0.404433 0.133 Uiso 1 1 calc R . . . .
C169 C 0.7177(6) 0.0647(7) 0.5975(5) 0.105(4) Uani 1 1 d . U . . .
H169 H 0.709101 0.061548 0.623365 0.126 Uiso 1 1 calc R . . . .
C170 C 0.3413(8) 0.5170(8) 0.0898(7) 0.132(6) Uani 1 1 d . . . . .
H170 H 0.321703 0.535585 0.071446 0.159 Uiso 1 1 calc R . . . .
C171 C 0.4303(4) 0.0796(4) 0.2170(4) 0.137(4) Uani 1 1 d . U . . .
H171 H 0.415872 0.045905 0.214963 0.165 Uiso 1 1 calc R . . . .
C172 C 0.4687(5) 0.0858(4) 0.2431(4) 0.146(4) Uani 1 1 d G U . . .
H172 H 0.479917 0.056305 0.258438 0.175 Uiso 1 1 calc R . . . .
C173 C 0.4903(4) 0.1362(5) 0.2462(3) 0.132(4) Uani 1 1 d G U . . .
H173 H 0.515979 0.140370 0.263633 0.159 Uiso 1 1 calc R . . . .
C174 C 0.4735(3) 0.1803(4) 0.2233(3) 0.102(3) Uani 1 1 d G U . . .
C175 C 0.4352(3) 0.1741(4) 0.1972(3) 0.105(3) Uani 1 1 d G U . . .
H175 H 0.423950 0.203638 0.181877 0.126 Uiso 1 1 calc R . . . .
C176 C 0.4136(3) 0.1237(5) 0.1941(3) 0.118(4) Uani 1 1 d G U . . .
H176 H 0.387888 0.119573 0.176682 0.141 Uiso 1 1 calc R . . . .
C177 C 0.4065(7) 0.9452(9) 0.3524(6) 0.077(6) Uani 0.603(15) 1 d . U P E 1
H177 H 0.425876 0.921327 0.366920 0.093 Uiso 0.603(15) 1 calc R . P E 1
C178 C 0.4047(7) 0.5152(8) 0.1390(6) 0.123(6) Uani 1 1 d . U . . .
H178 H 0.427215 0.534100 0.154164 0.148 Uiso 1 1 calc R . . . .
C179 C 0.6938(8) 0.2178(10) 0.2991(6) 0.052(6) Uani 0.374(13) 1 d D U P B 2
H179 H 0.664958 0.218665 0.306926 0.063 Uiso 0.374(13) 1 calc R . P B 2
C180 C 0.6992(11) 0.2207(15) 0.2585(6) 0.092(12) Uani 0.374(13) 1 d D . P B 2
H180 H 0.674516 0.223247 0.239727 0.111 Uiso 0.374(13) 1 calc R . P B 2
C181 C 0.7420(10) 0.2197(18) 0.2460(10) 0.069(11) Uani 0.374(13) 1 d D U P B 2
H181 H 0.746365 0.222927 0.218906 0.083 Uiso 0.374(13) 1 calc R . P B 2
C182 C 0.7713(9) 0.2120(13) 0.3151(7) 0.068(8) Uani 0.374(13) 1 d D U P B 2
H182 H 0.796008 0.209519 0.333857 0.081 Uiso 0.374(13) 1 calc R . P B 2
C183 C 0.7781(11) 0.2139(16) 0.2747(7) 0.086(10) Uani 0.374(13) 1 d D U P B 2
H183 H 0.806832 0.211201 0.266748 0.104 Uiso 0.374(13) 1 calc R . P B 2
C184 C 0.7291(7) 0.2138(15) 0.3289(8) 0.048(9) Uani 0.374(13) 1 d D U P B 2
C185 C 0.4041(6) 0.1516(6) 0.4180(5) 0.139(4) Uani 1 1 d D U . . .
H185 H 0.379525 0.149600 0.399111 0.166 Uiso 1 1 calc R . . . .
C186 C 0.4511(5) 0.1077(6) 0.4719(5) 0.130(4) Uani 1 1 d D U . . .
H186 H 0.458113 0.077785 0.488519 0.156 Uiso 1 1 calc R . . . .
C187 C 0.4154(5) 0.1073(8) 0.4429(4) 0.155(4) Uani 1 1 d D U . . .
C188 C 0.5494(4) 0.9296(5) 0.4041(3) 0.097(4) Uani 1 1 d D . . . .
C189 C 0.5689(6) 0.8791(6) 0.4105(9) 0.071(7) Uani 0.43(2) 1 d D U P D 2
H189 H 0.599491 0.872809 0.411687 0.086 Uiso 0.43(2) 1 calc R . P D 2
C190 C 0.5252(6) 0.8361(9) 0.3865(6) 0.088(7) Uani 0.57(2) 1 d D U P D 1
H190 H 0.527484 0.804079 0.371770 0.106 Uiso 0.57(2) 1 calc R . P D 1
C191 C 0.5179(6) 0.9375(8) 0.4310(6) 0.100(8) Uani 0.57(2) 1 d D U P D 1
H191 H 0.515707 0.969080 0.446315 0.120 Uiso 0.57(2) 1 calc R . P D 1
C192 C 0.5375(4) 0.8390(9) 0.4148(8) 0.064(7) Uani 0.43(2) 1 d D U P D 2
H192 H 0.548720 0.803904 0.419950 0.077 Uiso 0.43(2) 1 calc R . P D 2
C193 C 0.5548(8) 0.8799(7) 0.3842(7) 0.125(11) Uani 0.57(2) 1 d D U P D 1
H193 H 0.578839 0.875848 0.368880 0.150 Uiso 0.57(2) 1 calc R . P D 1
C194 C 0.5042(5) 0.9416(10) 0.4052(11) 0.091(10) Uani 0.43(2) 1 d D U P D 2
H194 H 0.493473 0.977346 0.402775 0.109 Uiso 0.43(2) 1 calc R . P D 2
C195 C 0.4759(8) 0.8975(6) 0.4100(9) 0.070(8) Uani 0.43(2) 1 d D . P D 2
H195 H 0.445728 0.904015 0.411609 0.084 Uiso 0.43(2) 1 calc R . P D 2
C196 C 0.4369(11) 0.7615(9) 0.1444(8) 0.128(15) Uani 0.44(2) 1 d . U P C 2
H196 H 0.432392 0.796013 0.155068 0.154 Uiso 0.44(2) 1 calc R . P C 2
C197 C 0.4582(9) 0.7209(10) 0.1682(6) 0.056(7) Uani 0.44(2) 1 d G U P C 2
C198 C 0.4649(10) 0.6693(9) 0.1522(7) 0.104(5) Uani 0.44(2) 1 d G U P C 2
H198 H 0.479160 0.642198 0.168114 0.125 Uiso 0.44(2) 1 calc R . P C 2
C199 C 0.4504(10) 0.6584(9) 0.1123(8) 0.108(5) Uani 0.44(2) 1 d G U P C 2
H199 H 0.454927 0.623848 0.101622 0.130 Uiso 0.44(2) 1 calc R . P C 2
C200 C 0.4291(10) 0.6989(11) 0.0885(6) 0.092(10) Uani 0.44(2) 1 d G U P C 2
H200 H 0.419427 0.691580 0.061851 0.110 Uiso 0.44(2) 1 calc R . P C 2
C201 C 0.4224(12) 0.7505(10) 0.1045(7) 0.16(2) Uani 0.44(2) 1 d G U P C 2
H201 H 0.408159 0.777663 0.088574 0.190 Uiso 0.44(2) 1 calc R . P C 2
C202 C 0.3521(7) 0.9585(9) 0.2987(7) 0.080(6) Uani 0.603(15) 1 d . U P E 1
H202 H 0.335345 0.943410 0.276628 0.096 Uiso 0.603(15) 1 calc R . P E 1
C203 C 0.3992(10) 0.9983(12) 0.3672(9) 0.111(9) Uani 0.603(15) 1 d . U P E 1
H203 H 0.413999 1.010633 0.391149 0.133 Uiso 0.603(15) 1 calc R . P E 1
C204 C 0.3682(9) 1.0319(12) 0.3441(9) 0.091(7) Uani 0.603(15) 1 d . U P E 1
H204 H 0.365243 1.068655 0.350673 0.110 Uiso 0.603(15) 1 calc R . P E 1
C205 C 0.3421(8) 1.0092(10) 0.3112(7) 0.081(6) Uani 0.603(15) 1 d . U P E 1
H205 H 0.318349 1.028754 0.298341 0.098 Uiso 0.603(15) 1 calc R . P E 1
C206 C 0.3583(11) 0.9467(13) 0.3410(10) 0.078(9) Uani 0.397(15) 1 d . U P E 2
H206 H 0.346804 0.921537 0.358169 0.093 Uiso 0.397(15) 1 calc R . P E 2
C207 C 0.3435(14) 1.0058(17) 0.3434(13) 0.095(11) Uani 0.397(15) 1 d . U P E 2
H207 H 0.323160 1.016240 0.361318 0.114 Uiso 0.397(15) 1 calc R . P E 2
C208 C 0.3972(12) 1.0315(14) 0.3019(10) 0.083(9) Uani 0.397(15) 1 d . U P E 2
H208 H 0.413271 1.060601 0.292538 0.100 Uiso 0.397(15) 1 calc R . P E 2
C209 C 0.4089(10) 0.9777(13) 0.2976(9) 0.075(8) Uani 0.397(15) 1 d . U P E 2
H209 H 0.432161 0.969816 0.282065 0.090 Uiso 0.397(15) 1 calc R . P E 2
C210 C 0.3582(11) 1.0383(15) 0.3222(11) 0.069(8) Uani 0.397(15) 1 d . U P E 2
H210 H 0.342936 1.071290 0.318317 0.082 Uiso 0.397(15) 1 calc R . P E 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag0A Ag14 3.099(12) . ?
Ag0A Ag15 2.859(11) 3_666 ?
Ag0A Ag30 3.22(2) . ?
Ag0A Ag31 2.834(15) . ?
Ag0A S17 2.337(12) . ?
Ag0A S21 2.795(11) . ?
Ag0A S22 2.136(18) 3_666 ?
Ag1 Ag23 3.1159(12) . ?
Ag1 S1 2.618(2) 3_666 ?
Ag1 S3 2.704(2) . ?
Ag1 S13 2.549(3) . ?
Ag1 P2 2.439(3) . ?
Ag1A Ag11 2.889(10) . ?
Ag1A Ag14 3.093(17) . ?
Ag1A Ag30 3.353(15) . ?
Ag1A S16 2.809(14) . ?
Ag1A S18 2.210(8) . ?
Ag2 Ag3 3.2217(11) . ?
Ag2 Ag10 3.1484(12) . ?
Ag2 Ag21 3.0286(13) . ?
Ag2 Ag29 3.122(3) . ?
Ag2 S1 2.570(2) . ?
Ag2 S4 2.783(3) . ?
Ag2 S14 2.573(2) . ?
Ag2 S15 2.602(2) . ?
Ag3 S1 2.484(2) . ?
Ag3 S2 2.567(2) . ?
Ag3 P3 2.408(2) . ?
Ag4 Ag21 3.2663(15) . ?
Ag4 S9 2.573(3) . ?
Ag4 S14 2.707(3) . ?
Ag4 S19 2.597(3) . ?
Ag4 P4 2.458(3) . ?
Ag5 Ag18 3.364(11) . ?
Ag5 Ag30 3.325(6) . ?
Ag5 S12 2.592(2) . ?
Ag5 S18 2.587(3) . ?
Ag5 S20 2.696(4) . ?
Ag5 P6 2.457(3) . ?
Ag6 Ag34 3.1429(18) . ?
Ag6 S3 2.701(3) . ?
Ag6 S6 2.606(3) . ?
Ag6 S12 2.656(2) . ?
Ag6 P1 2.431(3) . ?
Ag7 Ag24 3.1045(17) 3_666 ?
Ag7 Ag28 3.060(3) 3_666 ?
Ag7 Ag29 2.974(3) 3_666 ?
Ag7 S7 2.561(3) . ?
Ag7 S11 2.505(3) . ?
Ag7 S19 2.731(3) 3_666 ?
Ag7 S21 2.676(3) 3_666 ?
Ag8 Ag26 3.344(2) . ?
Ag8 Ag31 3.288(7) . ?
Ag8 Ag31 3.356(7) 3_666 ?
Ag8 Ag32 3.239(6) . ?
Ag8 S8 2.641(3) 3_666 ?
Ag8 S10 2.652(3) 3_666 ?
Ag8 S11 2.598(3) 3_666 ?
Ag8 S22 2.636(5) . ?
Ag8 S22 2.560(5) 3_666 ?
Ag9 Ag23 3.3679(14) 3_666 ?
Ag9 Ag25 3.091(2) 3_666 ?
Ag9 Ag29 3.279(3) . ?
Ag9 Ag31 3.086(6) 3_666 ?
Ag9 S4 2.529(3) . ?
Ag9 S8 2.515(3) . ?
Ag9 S13 2.831(3) 3_666 ?
Ag9 S15 2.652(3) . ?
Ag10 Ag13 2.9282(12) 3_666 ?
Ag10 Ag29 3.216(3) . ?
Ag10 S2 2.428(3) . ?
Ag10 S19 2.407(3) . ?
Ag11 Ag17 3.134(2) . ?
Ag11 Ag21 2.9612(15) . ?
Ag11 Ag24 3.0748(15) . ?
Ag11 Ag29 2.904(3) . ?
Ag11 S4 2.492(3) . ?
Ag11 S10 2.491(3) . ?
Ag11 S21 2.641(3) . ?
Ag12 Ag15 3.0890(15) 3_666 ?
Ag12 Ag23 3.3356(16) . ?
Ag12 Ag33 2.777(5) . ?
Ag12 S6 2.427(3) . ?
Ag12 S13 2.416(3) . ?
Ag13 Ag23 2.8693(15) . ?
Ag13 Ag25 2.996(2) . ?
Ag13 Ag33 3.300(6) . ?
Ag13 S2 2.789(2) 3_666 ?
Ag13 S5 2.491(2) . ?
Ag13 S11 2.632(3) . ?
Ag13 S15 2.657(2) 3_666 ?
Ag14 Ag18 2.798(8) . ?
Ag14 Ag20 3.0364(15) . ?
Ag14 Ag26 3.318(2) . ?
Ag14 Ag34 3.2776(17) . ?
Ag14 S5 2.500(3) . ?
Ag14 S10 2.482(3) . ?
Ag14 S17 2.845(3) . ?
Ag14 S18 2.820(3) . ?
Ag15 Ag20 2.9499(14) 3_666 ?
Ag15 Ag22 2.9549(17) 3_666 ?
Ag15 Ag30 3.106(6) 3_666 ?
Ag15 S7 2.457(3) . ?
Ag15 S8 2.473(2) . ?
Ag15 S17 2.640(3) 3_666 ?
Ag16 Ag17 3.215(3) . ?
Ag16 Ag19 3.1489(14) . ?
Ag16 Ag20 3.0750(15) . ?
Ag16 Ag22 3.2055(16) . ?
Ag16 S7 2.745(3) 3_666 ?
Ag16 S9 2.639(3) . ?
Ag16 S20 2.559(3) . ?
Ag16 S21 2.678(3) . ?
Ag17 Ag20 3.032(2) . ?
Ag17 S16 2.346(4) . ?
Ag17 S18 2.450(4) . ?
Ag18 Ag22 3.305(11) . ?
Ag18 Ag34 0.623(9) . ?
Ag18 S5 2.421(11) . ?
Ag18 S12 2.591(9) . ?
Ag18 S17 2.594(9) . ?
Ag18 S18 2.905(11) . ?
Ag19 S9 2.361(3) . ?
Ag19 S16 2.574(3) . ?
Ag19 P5 2.381(3) . ?
Ag20 Ag22 2.958(2) . ?
Ag20 Ag24 3.197(2) . ?
Ag20 Ag26 2.764(2) . ?
Ag20 Ag32 2.027(7) . ?
Ag20 S17 2.363(3) . ?
Ag20 S21 2.296(3) . ?
Ag21 Ag28 3.102(4) . ?
Ag21 Ag29 2.881(3) . ?
Ag21 S14 2.413(3) . ?
Ag21 S16 2.747(3) . ?
Ag21 S21 2.475(3) . ?
Ag22 Ag34 3.283(2) . ?
Ag22 S6 2.553(3) . ?
Ag22 S17 2.637(3) . ?
Ag22 S20 2.454(3) . ?
Ag23 Ag25 2.791(3) . ?
Ag23 S3 2.405(3) . ?
Ag23 S15 2.341(4) 3_666 ?
Ag24 Ag25 2.740(3) 3_666 ?
Ag24 Ag26 3.277(3) . ?
Ag24 Ag32 1.712(7) . ?
Ag24 S15 2.680(3) . ?
Ag24 S21 2.514(3) . ?
Ag24 S22 2.609(5) . ?
Ag24 S22 2.326(6) 3_666 ?
Ag25 Ag26 1.489(3) . ?
Ag25 Ag32 3.182(6) . ?
Ag25 S15 2.389(3) 3_666 ?
Ag25 S17 2.350(3) . ?
Ag25 S22 2.731(6) 3_666 ?
Ag26 S17 2.398(3) . ?
Ag26 S22 2.364(5) . ?
Ag27 Ag28 3.198(4) . ?
Ag27 S9 2.863(4) . ?
Ag27 S16 2.688(4) . ?
Ag27 S20 2.798(4) . ?
Ag27 P5 2.588(3) . ?
Ag28 S7 2.713(4) 3_666 ?
Ag28 S9 2.158(4) . ?
Ag28 S21 2.204(4) . ?
Ag29 Ag31 2.716(7) 3_666 ?
Ag29 S15 1.870(5) . ?
Ag29 S21 2.265(4) . ?
Ag30 S17 2.287(7) . ?
Ag30 S20 2.476(7) . ?
Ag31 S15 2.571(6) 3_666 ?
Ag31 S22 2.418(8) . ?
Ag31 S22 1.925(8) 3_666 ?
Ag32 S21 2.757(6) . ?
Ag32 S22 2.362(8) . ?
Ag33 S3 2.356(5) . ?
Ag33 S17 2.285(6) . ?
Ag34 S5 2.609(3) . ?
Ag34 S12 2.400(3) . ?
Ag34 S17 2.579(3) . ?
S1 C9 1.761(8) . ?
S2 C12 1.766(9) . ?
S3 C10 1.771(11) . ?
S4 C1 1.785(10) . ?
S5 C84 1.751(11) . ?
S6 C25 1.777(13) . ?
S7 C3 1.802(11) . ?
S8 C15 1.769(10) . ?
S9 C18 1.799(11) . ?
S10 C46 1.767(11) . ?
S11 C37 1.751(10) . ?
S12 C32 1.769(12) . ?
S13 C49 1.774(13) . ?
S14 C21 1.745(12) . ?
S16 C36 1.760(9) . ?
S18 C85 1.786(12) . ?
S19 C14 1.789(14) . ?
S20 C26 1.783(9) . ?
S22 S22 0.992(10) 3_666 ?
P1 C2 1.812(12) . ?
P1 C4 1.90(2) . ?
P1 C44 1.834(11) . ?
P1 C184 1.72(3) . ?
P2 C20 1.826(11) . ?
P2 C59 1.814(10) . ?
P2 C62 1.840(13) . ?
P3 C13 1.818(10) . ?
P3 C17 1.834(10) . ?
P3 C47 1.816(11) . ?
P4 C43 1.844(11) . ?
P4 C56 1.802(13) . ?
P4 C70 1.925(16) . ?
P4 C197 1.746(18) . ?
P5 C41 1.825(12) . ?
P5 C64 1.830(13) . ?
P5 C110 1.819(14) . ?
P6 C76 1.827(13) . ?
P6 C163 1.871(10) . ?
P6 C174 1.795(9) . ?
F1 C34 1.379(11) . ?
F2 C98 1.353(14) . ?
F3 C65 1.353(15) . ?
F4 C24 1.367(13) . ?
F5 C92 1.374(17) . ?
F6 C101 1.370(13) . ?
F7 C88 1.385(15) . ?
F8 C124 1.365(16) . ?
F9 C100 1.383(16) . ?
F10 C29 1.341(14) . ?
F11 C68 1.345(15) . ?
F12 C132 1.356(15) . ?
F13 C145 1.357(17) . ?
F14 C139 1.416(19) . ?
F15 C143 1.34(2) . ?
F16 C156 1.36(2) . ?
F17 C187 1.38(2) . ?
F18 C188 1.363(15) . ?
C1 C11 1.377(14) . ?
C1 C83 1.381(13) . ?
C2 C35 1.384(16) . ?
C2 C78 1.377(16) . ?
C3 C5 1.392(15) . ?
C3 C40 1.320(15) . ?
C4 C154 1.40(3) . ?
C4 C167 1.37(3) . ?
C5 C60 1.364(16) . ?
C6 C18 1.371(16) . ?
C6 C54 1.425(19) . ?
C7 C17 1.551(14) . ?
C7 C43 1.527(15) . ?
C8 C18 1.392(16) . ?
C8 C33 1.384(16) . ?
C9 C19 1.395(14) . ?
C9 C53 1.403(13) . ?
C10 C16 1.370(15) . ?
C10 C61 1.399(14) . ?
C11 C91 1.402(15) . ?
C12 C158 1.377(10) . ?
C12 C190 1.403(10) . ?
C12 C192 1.378(10) . ?
C12 C195 1.398(10) . ?
C13 C23 1.385(15) . ?
C13 C104 1.405(14) . ?
C14 C57 1.372(17) . ?
C14 C90 1.377(16) . ?
C15 C22 1.391(14) . ?
C15 C45 1.386(14) . ?
C16 C93 1.389(17) . ?
C19 C89 1.409(13) . ?
C20 C39 1.397(15) . ?
C20 C119 1.363(17) . ?
C21 C82 1.399(16) . ?
C21 C99 1.422(15) . ?
C22 C55 1.388(17) . ?
C23 C50 1.403(15) . ?
C24 C67 1.360(19) . ?
C24 C91 1.391(17) . ?
C25 C123 1.40(2) . ?
C25 C126 1.377(19) . ?
C26 C27 1.3900 . ?
C26 C31 1.3900 . ?
C27 C28 1.3900 . ?
C28 C29 1.3900 . ?
C29 C30 1.3900 . ?
C30 C31 1.3900 . ?
C32 C87 1.354(18) . ?
C32 C103 1.383(19) . ?
C33 C68 1.37(2) . ?
C34 C52 1.348(18) . ?
C34 C89 1.362(17) . ?
C35 C112 1.37(2) . ?
C36 C38 1.406(15) . ?
C36 C81 1.348(15) . ?
C37 C58 1.364(14) . ?
C37 C69 1.418(15) . ?
C38 C109 1.377(16) . ?
C39 C113 1.386(16) . ?
C40 C108 1.38(2) . ?
C41 C48 1.387(9) . ?
C41 C131 1.373(18) . ?
C42 C49 1.366(16) . ?
C42 C125 1.406(19) . ?
C44 C80 1.533(15) . ?
C45 C114 1.377(17) . ?
C46 C77 1.381(14) . ?
C46 C129 1.369(15) . ?
C47 C177 1.35(2) . ?
C47 C202 1.33(2) . ?
C47 C206 1.27(3) . ?
C47 C209 1.55(3) . ?
C48 C107 1.395(9) . ?
C49 C147 1.371(17) . ?
C50 C79 1.376(17) . ?
C51 C57 1.385(18) . ?
C51 C92 1.32(2) . ?
C52 C53 1.387(14) . ?
C54 C68 1.34(2) . ?
C55 C88 1.36(2) . ?
C56 C66 1.429(16) . ?
C56 C95 1.385(19) . ?
C58 C97 1.421(15) . ?
C59 C80 1.500(17) . ?
C60 C65 1.391(18) . ?
C61 C111 1.347(17) . ?
C62 C116 1.372(16) . ?
C62 C130 1.383(16) . ?
C63 C66 1.33(2) . ?
C63 C133 1.43(2) . ?
C64 C122 1.576(16) . ?
C65 C108 1.36(2) . ?
C67 C83 1.382(18) . ?
C69 C106 1.372(16) . ?
C70 C71 1.3900 . ?
C70 C75 1.3900 . ?
C71 C72 1.3900 . ?
C72 C73 1.3900 . ?
C73 C74 1.3900 . ?
C74 C75 1.3900 . ?
C76 C122 1.489(16) . ?
C77 C96 1.384(16) . ?
C78 C102 1.379(18) . ?
C79 C94 1.38(2) . ?
C81 C140 1.383(17) . ?
C82 C138 1.377(16) . ?
C84 C134 1.382(9) . ?
C84 C168 1.381(9) . ?
C85 C121 1.375(18) . ?
C85 C141 1.396(17) . ?
C86 C150 1.36(3) . ?
C86 C159 1.37(3) . ?
C87 C117 1.43(2) . ?
C88 C114 1.36(2) . ?
C90 C115 1.37(2) . ?
C92 C115 1.40(2) . ?
C93 C132 1.361(19) . ?
C94 C104 1.394(17) . ?
C95 C127 1.35(2) . ?
C96 C100 1.347(18) . ?
C97 C98 1.368(17) . ?
C98 C106 1.365(18) . ?
C99 C118 1.42(2) . ?
C100 C135 1.39(2) . ?
C101 C109 1.37(2) . ?
C101 C140 1.282(19) . ?
C102 C105 1.36(2) . ?
C103 C149 1.43(2) . ?
C105 C112 1.38(2) . ?
C107 C136 1.393(9) . ?
C110 C120 1.345(17) . ?
C110 C178 1.38(2) . ?
C111 C132 1.43(2) . ?
C113 C142 1.363(19) . ?
C116 C153 1.39(2) . ?
C117 C139 1.24(2) . ?
C118 C124 1.35(2) . ?
C119 C146 1.38(2) . ?
C120 C152 1.40(2) . ?
C121 C144 1.33(2) . ?
C123 C128 1.38(2) . ?
C124 C138 1.38(2) . ?
C125 C156 1.35(2) . ?
C126 C157 1.43(3) . ?
C127 C133 1.32(2) . ?
C128 C143 1.32(3) . ?
C129 C135 1.37(2) . ?
C130 C169 1.43(2) . ?
C131 C137 1.35(2) . ?
C134 C186 1.383(9) . ?
C136 C137 1.394(10) . ?
C139 C149 1.42(3) . ?
C141 C148 1.37(2) . ?
C142 C146 1.36(2) . ?
C143 C157 1.30(3) . ?
C144 C145 1.41(2) . ?
C145 C148 1.33(2) . ?
C147 C166 1.35(2) . ?
C150 C154 1.39(3) . ?
C151 C170 1.30(3) . ?
C151 C178 1.49(3) . ?
C152 C170 1.38(2) . ?
C153 C155 1.39(2) . ?
C155 C169 1.39(2) . ?
C156 C166 1.41(3) . ?
C158 C191 1.381(10) . ?
C159 C167 1.41(3) . ?
C160 C161 1.3900 . ?
C160 C165 1.3900 . ?
C161 C162 1.3900 . ?
C162 C163 1.3900 . ?
C163 C164 1.3900 . ?
C164 C165 1.3900 . ?
C168 C185 1.387(9) . ?
C171 C172 1.3900 . ?
C171 C176 1.3900 . ?
C172 C173 1.3900 . ?
C173 C174 1.3900 . ?
C174 C175 1.3900 . ?
C175 C176 1.3900 . ?
C177 C203 1.41(3) . ?
C179 C180 1.387(10) . ?
C179 C184 1.391(10) . ?
C180 C181 1.390(10) . ?
C181 C183 1.390(10) . ?
C182 C183 1.389(10) . ?
C182 C184 1.391(10) . ?
C185 C187 1.386(10) . ?
C186 C187 1.382(10) . ?
C188 C189 1.373(10) . ?
C188 C191 1.381(10) . ?
C188 C193 1.402(10) . ?
C188 C194 1.396(10) . ?
C189 C192 1.380(10) . ?
C190 C193 1.398(10) . ?
C194 C195 1.390(10) . ?
C196 C197 1.3900 . ?
C196 C201 1.3900 . ?
C197 C198 1.3900 . ?
C198 C199 1.3900 . ?
C199 C200 1.3900 . ?
C200 C201 1.3900 . ?
C202 C205 1.35(3) . ?
C203 C204 1.42(4) . ?
C204 C205 1.41(4) . ?
C206 C207 1.51(5) . ?
C207 C210 1.18(6) . ?
C208 C209 1.37(4) . ?
C208 C210 1.42(5) . ?

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
Ag14 Ag0A Ag30 71.2(4) . . ?
Ag15 Ag0A Ag14 120.4(4) 3_666 . ?
Ag15 Ag0A Ag30 61.1(3) 3_666 . ?
Ag31 Ag0A Ag14 87.4(3) . . ?
Ag31 Ag0A Ag30 117.9(4) . . ?
S17 Ag0A Ag14 61.2(3) . . ?
S17 Ag0A Ag15 60.1(3) . 3_666 ?
S17 Ag0A Ag30 45.2(3) . . ?
S17 Ag0A Ag31 73.1(3) . . ?
S17 Ag0A S21 127.6(7) . . ?
S21 Ag0A Ag14 111.7(4) . . ?
S21 Ag0A Ag15 95.9(4) . 3_666 ?
S21 Ag0A Ag30 82.5(4) . . ?
S21 Ag0A Ag31 156.4(6) . . ?
S22 Ag0A Ag14 110.1(5) 3_666 . ?
S22 Ag0A Ag15 103.4(5) 3_666 3_666 ?
S22 Ag0A Ag30 158.9(5) 3_666 . ?
S22 Ag0A Ag31 42.8(3) 3_666 . ?
S22 Ag0A S17 115.7(5) 3_666 . ?
S22 Ag0A S21 114.9(5) 3_666 . ?
S1 Ag1 Ag23 78.54(5) 3_666 . ?
S1 Ag1 S3 114.36(8) 3_666 . ?
S3 Ag1 Ag23 48.18(6) . . ?
S13 Ag1 Ag23 74.34(7) . . ?
S13 Ag1 S1 105.26(8) . 3_666 ?
S13 Ag1 S3 95.19(8) . . ?
P2 Ag1 Ag23 148.11(7) . . ?
P2 Ag1 S1 115.04(8) . 3_666 ?
P2 Ag1 S3 101.15(8) . . ?
P2 Ag1 S13 124.22(10) . . ?
Ag11 Ag1A Ag14 93.4(5) . . ?
Ag11 Ag1A Ag30 117.2(3) . . ?
Ag14 Ag1A Ag30 69.5(3) . . ?
S16 Ag1A Ag11 65.82(18) . . ?
S16 Ag1A Ag14 159.2(5) . . ?
S16 Ag1A Ag30 120.4(5) . . ?
S18 Ag1A Ag11 152.8(8) . . ?
S18 Ag1A Ag14 61.6(4) . . ?
S18 Ag1A Ag30 66.4(2) . . ?
S18 Ag1A S16 138.2(7) . . ?
Ag10 Ag2 Ag3 65.54(3) . . ?
Ag21 Ag2 Ag3 126.68(4) . . ?
Ag21 Ag2 Ag10 80.65(4) . . ?
Ag21 Ag2 Ag29 55.83(6) . . ?
Ag29 Ag2 Ag3 125.60(6) . . ?
Ag29 Ag2 Ag10 61.71(6) . . ?
S1 Ag2 Ag3 49.24(5) . . ?
S1 Ag2 Ag10 105.80(6) . . ?
S1 Ag2 Ag21 165.57(6) . . ?
S1 Ag2 Ag29 138.60(7) . . ?
S1 Ag2 S4 111.86(8) . . ?
S1 Ag2 S14 117.63(8) . . ?
S1 Ag2 S15 101.87(9) . . ?
S4 Ag2 Ag3 159.49(6) . . ?
S4 Ag2 Ag10 134.37(6) . . ?
S4 Ag2 Ag21 69.19(6) . . ?
S4 Ag2 Ag29 73.01(8) . . ?
S14 Ag2 Ag3 82.11(7) . . ?
S14 Ag2 Ag10 78.19(7) . . ?
S14 Ag2 Ag21 50.22(6) . . ?
S14 Ag2 Ag29 99.08(8) . . ?
S14 Ag2 S4 104.94(9) . . ?
S14 Ag2 S15 130.35(10) . . ?
S15 Ag2 Ag3 105.20(6) . . ?
S15 Ag2 Ag10 62.27(7) . . ?
S15 Ag2 Ag21 92.55(8) . . ?
S15 Ag2 Ag29 36.73(9) . . ?
S15 Ag2 S4 85.13(8) . . ?
S1 Ag3 Ag2 51.58(5) . . ?
S1 Ag3 S2 99.46(7) . . ?
S2 Ag3 Ag2 85.64(6) . . ?
P3 Ag3 Ag2 132.83(7) . . ?
P3 Ag3 S1 138.33(8) . . ?
P3 Ag3 S2 121.38(9) . . ?
S9 Ag4 Ag21 74.05(6) . . ?
S9 Ag4 S14 115.29(9) . . ?
S9 Ag4 S19 99.07(9) . . ?
S14 Ag4 Ag21 46.49(6) . . ?
S19 Ag4 Ag21 77.71(8) . . ?
S19 Ag4 S14 91.84(9) . . ?
P4 Ag4 Ag21 148.87(8) . . ?
P4 Ag4 S9 121.82(9) . . ?
P4 Ag4 S14 104.64(9) . . ?
P4 Ag4 S19 120.77(11) . . ?
S12 Ag5 Ag18 49.50(16) . . ?
S12 Ag5 Ag30 80.91(18) . . ?
S12 Ag5 S20 111.73(10) . . ?
S18 Ag5 Ag18 56.64(16) . . ?
S18 Ag5 Ag30 64.0(2) . . ?
S18 Ag5 S12 105.03(9) . . ?
S18 Ag5 S20 90.02(11) . . ?
S20 Ag5 Ag18 99.70(17) . . ?
S20 Ag5 Ag30 47.15(13) . . ?
P6 Ag5 Ag18 151.7(2) . . ?
P6 Ag5 Ag30 155.38(16) . . ?
P6 Ag5 S12 117.81(10) . . ?
P6 Ag5 S18 120.35(11) . . ?
P6 Ag5 S20 108.54(12) . . ?
S3 Ag6 Ag34 70.90(6) . . ?
S6 Ag6 Ag34 80.40(7) . . ?
S6 Ag6 S3 104.05(8) . . ?
S6 Ag6 S12 94.69(9) . . ?
S12 Ag6 Ag34 48.00(7) . . ?
S12 Ag6 S3 111.35(9) . . ?
P1 Ag6 Ag34 158.80(7) . . ?
P1 Ag6 S3 113.58(8) . . ?
P1 Ag6 S6 116.64(10) . . ?
P1 Ag6 S12 114.70(9) . . ?
S7 Ag7 Ag24 120.06(8) . 3_666 ?
S7 Ag7 Ag28 56.90(9) . 3_666 ?
S7 Ag7 Ag29 132.80(9) . 3_666 ?
S7 Ag7 S19 105.70(9) . 3_666 ?
S7 Ag7 S21 86.54(9) . 3_666 ?
S11 Ag7 Ag24 74.75(7) . 3_666 ?
S11 Ag7 Ag28 166.93(10) . 3_666 ?
S11 Ag7 Ag29 81.33(9) . 3_666 ?
S11 Ag7 S7 135.52(9) . . ?
S11 Ag7 S19 103.22(9) . 3_666 ?
S11 Ag7 S21 124.84(9) . 3_666 ?
S19 Ag7 Ag24 115.20(8) 3_666 3_666 ?
S19 Ag7 Ag28 72.77(10) 3_666 3_666 ?
S19 Ag7 Ag29 87.04(9) 3_666 3_666 ?
S21 Ag7 Ag24 50.91(7) 3_666 3_666 ?
S21 Ag7 Ag28 44.57(9) 3_666 3_666 ?
S21 Ag7 Ag29 46.90(8) 3_666 3_666 ?
S21 Ag7 S19 93.10(10) 3_666 3_666 ?
Ag26 Ag8 Ag31 70.10(12) . 3_666 ?
Ag32 Ag8 Ag26 30.06(11) . . ?
Ag32 Ag8 Ag31 52.44(17) . 3_666 ?
S8 Ag8 Ag26 71.98(7) 3_666 . ?
S8 Ag8 Ag31 140.79(13) 3_666 3_666 ?
S8 Ag8 Ag31 68.46(14) 3_666 . ?
S8 Ag8 Ag32 89.04(14) 3_666 . ?
S8 Ag8 S10 101.80(8) 3_666 3_666 ?
S10 Ag8 Ag26 127.69(8) 3_666 . ?
S10 Ag8 Ag31 108.94(13) 3_666 3_666 ?
S10 Ag8 Ag31 106.55(12) 3_666 . ?
S10 Ag8 Ag32 149.51(13) 3_666 . ?
S11 Ag8 Ag26 118.51(7) 3_666 . ?
S11 Ag8 Ag31 139.77(12) 3_666 . ?
S11 Ag8 Ag31 73.31(13) 3_666 3_666 ?
S11 Ag8 Ag32 88.76(12) 3_666 . ?
S11 Ag8 S8 118.12(9) 3_666 3_666 ?
S11 Ag8 S10 110.11(8) 3_666 3_666 ?
S11 Ag8 S22 107.29(14) 3_666 . ?
S22 Ag8 Ag26 24.90(12) 3_666 . ?
S22 Ag8 Ag26 44.65(11) . . ?
S22 Ag8 Ag31 34.93(16) . 3_666 ?
S22 Ag8 Ag31 46.60(17) . . ?
S22 Ag8 Ag31 35.77(17) 3_666 . ?
S22 Ag8 Ag31 45.85(16) 3_666 3_666 ?
S22 Ag8 Ag32 26.91(16) 3_666 . ?
S22 Ag8 Ag32 46.02(16) . . ?
S22 Ag8 S8 114.35(13) . 3_666 ?
S22 Ag8 S8 96.86(13) 3_666 3_666 ?
S22 Ag8 S10 122.66(14) 3_666 3_666 ?
S22 Ag8 S10 104.15(12) . 3_666 ?
S22 Ag8 S11 107.34(14) 3_666 3_666 ?
S22 Ag8 S22 22.0(2) 3_666 . ?
Ag25 Ag9 Ag23 50.99(6) 3_666 3_666 ?
Ag31 Ag9 Ag29 50.41(13) 3_666 . ?
S4 Ag9 Ag23 115.19(7) . 3_666 ?
S4 Ag9 Ag25 133.41(8) . 3_666 ?
S4 Ag9 Ag29 73.41(8) . . ?
S4 Ag9 Ag31 122.48(14) . 3_666 ?
S4 Ag9 S13 102.35(8) . 3_666 ?
S4 Ag9 S15 89.40(8) . . ?
S8 Ag9 Ag23 109.57(7) . 3_666 ?
S8 Ag9 Ag25 76.60(7) . 3_666 ?
S8 Ag9 Ag29 116.59(9) . . ?
S8 Ag9 Ag31 73.38(14) . 3_666 ?
S8 Ag9 S4 135.24(9) . . ?
S8 Ag9 S13 95.15(8) . 3_666 ?
S8 Ag9 S15 124.53(8) . . ?
S13 Ag9 Ag23 67.04(6) 3_666 3_666 ?
S13 Ag9 Ag25 107.66(9) 3_666 3_666 ?
S13 Ag9 Ag29 139.35(9) 3_666 . ?
S13 Ag9 Ag31 126.90(14) 3_666 3_666 ?
S15 Ag9 Ag23 43.79(7) . 3_666 ?
S15 Ag9 Ag25 48.42(6) . 3_666 ?
S15 Ag9 Ag29 34.75(9) . . ?
S15 Ag9 Ag31 52.59(13) . 3_666 ?
S15 Ag9 S13 106.58(10) . 3_666 ?
Ag2 Ag10 Ag29 58.74(6) . . ?
Ag13 Ag10 Ag2 98.10(4) 3_666 . ?
Ag13 Ag10 Ag29 74.36(6) 3_666 . ?
S2 Ag10 Ag2 89.65(6) . . ?
S2 Ag10 Ag13 61.92(6) . 3_666 ?
S2 Ag10 Ag29 121.27(9) . . ?
S19 Ag10 Ag2 112.10(8) . . ?
S19 Ag10 Ag13 129.42(8) . 3_666 ?
S19 Ag10 Ag29 87.52(10) . . ?
S19 Ag10 S2 150.71(11) . . ?
Ag1A Ag11 Ag21 97.5(3) . . ?
Ag1A Ag11 Ag29 120.44(18) . . ?
Ag21 Ag11 Ag17 85.96(7) . . ?
Ag21 Ag11 Ag24 84.16(4) . . ?
Ag24 Ag11 Ag17 110.53(5) . . ?
Ag29 Ag11 Ag21 58.82(7) . . ?
S4 Ag11 Ag1A 149.2(3) . . ?
S4 Ag11 Ag17 140.54(8) . . ?
S4 Ag11 Ag21 74.07(6) . . ?
S4 Ag11 Ag24 101.06(7) . . ?
S4 Ag11 Ag29 81.13(9) . . ?
S4 Ag11 S21 118.20(9) . . ?
S10 Ag11 Ag1A 67.0(4) . . ?
S10 Ag11 Ag17 79.12(9) . . ?
S10 Ag11 Ag21 161.04(8) . . ?
S10 Ag11 Ag24 90.13(7) . . ?
S10 Ag11 Ag29 118.43(9) . . ?
S10 Ag11 S4 124.85(9) . . ?
S10 Ag11 S21 110.89(10) . . ?
S21 Ag11 Ag1A 73.8(2) . . ?
S21 Ag11 Ag17 69.20(7) . . ?
S21 Ag11 Ag21 52.06(7) . . ?
S21 Ag11 Ag24 51.51(6) . . ?
S21 Ag11 Ag29 47.94(9) . . ?
Ag15 Ag12 Ag23 107.33(4) 3_666 . ?
S6 Ag12 Ag15 74.15(7) . 3_666 ?
S6 Ag12 Ag23 117.40(8) . . ?
S6 Ag12 Ag33 90.53(17) . . ?
S13 Ag12 Ag15 136.96(8) . 3_666 ?
S13 Ag12 Ag23 71.77(8) . . ?
S13 Ag12 Ag33 100.71(16) . . ?
S13 Ag12 S6 146.18(11) . . ?
Ag10 Ag13 Ag25 111.07(5) 3_666 . ?
Ag10 Ag13 Ag33 127.18(11) 3_666 . ?
Ag23 Ag13 Ag10 97.91(4) . 3_666 ?
Ag23 Ag13 Ag25 56.78(6) . . ?
S2 Ag13 Ag10 50.19(6) 3_666 3_666 ?
S2 Ag13 Ag23 79.96(6) 3_666 . ?
S2 Ag13 Ag25 131.57(7) 3_666 . ?
S2 Ag13 Ag33 103.79(11) 3_666 . ?
S5 Ag13 Ag10 160.61(8) . 3_666 ?
S5 Ag13 Ag23 87.39(7) . . ?
S5 Ag13 Ag25 87.48(8) . . ?
S5 Ag13 Ag33 61.62(13) . . ?
S5 Ag13 S2 113.27(9) . 3_666 ?
S5 Ag13 S11 107.76(8) . . ?
S5 Ag13 S15 129.81(10) . 3_666 ?
S11 Ag13 Ag10 80.76(6) . 3_666 ?
S11 Ag13 Ag23 137.69(7) . . ?
S11 Ag13 Ag25 83.98(9) . . ?
S11 Ag13 Ag33 127.86(11) . . ?
S11 Ag13 S2 124.93(8) . 3_666 ?
S11 Ag13 S15 93.79(9) . 3_666 ?
S15 Ag13 Ag10 65.00(7) 3_666 3_666 ?
S15 Ag13 Ag23 49.95(8) 3_666 . ?
S15 Ag13 Ag25 49.54(6) 3_666 . ?
S15 Ag13 Ag33 69.27(13) 3_666 . ?
S15 Ag13 S2 87.11(7) 3_666 3_666 ?
Ag1A Ag14 Ag0A 73.7(3) . . ?
Ag18 Ag14 Ag20 87.8(2) . . ?
Ag18 Ag14 Ag26 97.7(2) . . ?
Ag18 Ag14 Ag34 7.5(2) . . ?
Ag18 Ag14 S17 54.7(2) . . ?
Ag18 Ag14 S18 62.3(2) . . ?
Ag20 Ag14 Ag26 51.33(5) . . ?
Ag20 Ag14 Ag34 86.20(5) . . ?
Ag34 Ag14 Ag26 90.94(5) . . ?
S5 Ag14 Ag0A 122.46(19) . . ?
S5 Ag14 Ag1A 146.3(2) . . ?
S5 Ag14 Ag18 54.0(2) . . ?
S5 Ag14 Ag20 130.27(7) . . ?
S5 Ag14 Ag26 98.76(7) . . ?
S5 Ag14 Ag34 51.58(7) . . ?
S5 Ag14 S17 83.14(8) . . ?
S5 Ag14 S18 102.99(9) . . ?
S10 Ag14 Ag0A 75.7(2) . . ?
S10 Ag14 Ag1A 63.7(2) . . ?
S10 Ag14 Ag18 160.6(3) . . ?
S10 Ag14 Ag20 79.70(7) . . ?
S10 Ag14 Ag26 86.15(7) . . ?
S10 Ag14 Ag34 164.00(9) . . ?
S10 Ag14 S5 144.42(10) . . ?
S10 Ag14 S17 121.76(9) . . ?
S10 Ag14 S18 100.66(8) . . ?
S17 Ag14 Ag0A 46.1(2) . . ?
S17 Ag14 Ag1A 93.24(18) . . ?
S17 Ag14 Ag20 47.24(6) . . ?
S17 Ag14 Ag26 44.99(6) . . ?
S17 Ag14 Ag34 49.20(6) . . ?
S18 Ag14 Ag0A 104.4(3) . . ?
S18 Ag14 Ag1A 43.6(2) . . ?
S18 Ag14 Ag20 80.27(8) . . ?
S18 Ag14 Ag26 129.31(9) . . ?
S18 Ag14 Ag34 69.25(7) . . ?
S18 Ag14 S17 93.05(9) . . ?
Ag12 Ag15 Ag30 94.35(19) 3_666 3_666 ?
Ag20 Ag15 Ag12 120.85(5) 3_666 3_666 ?
Ag20 Ag15 Ag22 60.13(6) 3_666 3_666 ?
Ag20 Ag15 Ag30 43.0(3) 3_666 3_666 ?
Ag22 Ag15 Ag12 85.40(5) 3_666 3_666 ?
Ag22 Ag15 Ag30 17.4(2) 3_666 3_666 ?
S7 Ag15 Ag0A 99.9(2) . 3_666 ?
S7 Ag15 Ag12 137.62(8) . 3_666 ?
S7 Ag15 Ag20 82.70(7) . 3_666 ?
S7 Ag15 Ag22 76.91(7) . 3_666 ?
S7 Ag15 Ag30 79.93(14) . 3_666 ?
S7 Ag15 S8 128.92(9) . . ?
S7 Ag15 S17 123.93(9) . 3_666 ?
S8 Ag15 Ag0A 101.5(3) . 3_666 ?
S8 Ag15 Ag12 67.30(6) . 3_666 ?
S8 Ag15 Ag20 127.05(8) . 3_666 ?
S8 Ag15 Ag22 151.51(8) . 3_666 ?
S8 Ag15 Ag30 150.93(15) . 3_666 ?
S8 Ag15 S17 105.23(9) . 3_666 ?
S17 Ag15 Ag0A 50.1(2) 3_666 3_666 ?
S17 Ag15 Ag12 71.41(7) 3_666 3_666 ?
S17 Ag15 Ag20 49.63(7) 3_666 3_666 ?
S17 Ag15 Ag22 55.89(7) 3_666 3_666 ?
S17 Ag15 Ag30 46.02(16) 3_666 3_666 ?
Ag19 Ag16 Ag17 67.99(6) . . ?
Ag19 Ag16 Ag22 129.65(5) . . ?
Ag20 Ag16 Ag17 57.59(6) . . ?
Ag20 Ag16 Ag19 124.22(4) . . ?
Ag20 Ag16 Ag22 56.16(4) . . ?
Ag22 Ag16 Ag17 82.50(7) . . ?
S7 Ag16 Ag17 133.50(8) 3_666 . ?
S7 Ag16 Ag19 157.06(7) 3_666 . ?
S7 Ag16 Ag20 75.96(6) 3_666 . ?
S7 Ag16 Ag22 68.91(7) 3_666 . ?
S9 Ag16 Ag17 108.81(8) . . ?
S9 Ag16 Ag19 47.13(7) . . ?
S9 Ag16 Ag20 144.29(7) . . ?
S9 Ag16 Ag22 159.54(8) . . ?
S9 Ag16 S7 110.42(9) . 3_666 ?
S9 Ag16 S21 98.42(9) . . ?
S20 Ag16 Ag17 74.36(10) . . ?
S20 Ag16 Ag19 83.42(7) . . ?
S20 Ag16 Ag20 92.72(8) . . ?
S20 Ag16 Ag22 48.81(6) . . ?
S20 Ag16 S7 108.27(10) . 3_666 ?
S20 Ag16 S9 116.50(9) . . ?
S20 Ag16 S21 134.82(11) . . ?
S21 Ag16 Ag17 67.49(7) . . ?
S21 Ag16 Ag19 103.10(6) . . ?
S21 Ag16 Ag20 46.41(7) . . ?
S21 Ag16 Ag22 101.71(8) . . ?
S21 Ag16 S7 82.90(8) . 3_666 ?
Ag11 Ag17 Ag16 95.98(5) . . ?
Ag20 Ag17 Ag11 69.27(5) . . ?
Ag20 Ag17 Ag16 58.88(4) . . ?
S16 Ag17 Ag11 67.04(7) . . ?
S16 Ag17 Ag16 83.39(10) . . ?
S16 Ag17 Ag20 117.16(8) . . ?
S16 Ag17 S18 156.29(11) . . ?
S18 Ag17 Ag11 124.79(14) . . ?
S18 Ag17 Ag16 112.95(9) . . ?
S18 Ag17 Ag20 86.46(9) . . ?
Ag14 Ag18 Ag5 106.2(3) . . ?
Ag14 Ag18 Ag22 94.2(3) . . ?
Ag14 Ag18 S18 59.2(2) . . ?
Ag22 Ag18 Ag5 63.1(2) . . ?
Ag34 Ag18 Ag5 110.6(11) . . ?
Ag34 Ag18 Ag14 136.4(11) . . ?
Ag34 Ag18 Ag22 82.6(11) . . ?
Ag34 Ag18 S5 100.7(13) . . ?
Ag34 Ag18 S12 65.5(9) . . ?
Ag34 Ag18 S17 81.7(9) . . ?
Ag34 Ag18 S18 156.6(13) . . ?
S5 Ag18 Ag5 143.9(4) . . ?
S5 Ag18 Ag14 56.69(19) . . ?
S5 Ag18 Ag22 141.0(3) . . ?
S5 Ag18 S12 140.4(4) . . ?
S5 Ag18 S17 90.3(3) . . ?
S5 Ag18 S18 102.6(3) . . ?
S12 Ag18 Ag5 49.54(19) . . ?
S12 Ag18 Ag14 155.7(5) . . ?
S12 Ag18 Ag22 76.5(3) . . ?
S12 Ag18 S17 121.6(4) . . ?
S12 Ag18 S18 96.6(4) . . ?
S17 Ag18 Ag5 111.0(4) . . ?
S17 Ag18 Ag14 63.6(2) . . ?
S17 Ag18 Ag22 51.40(19) . . ?
S17 Ag18 S18 96.6(3) . . ?
S18 Ag18 Ag5 48.06(18) . . ?
S18 Ag18 Ag22 78.4(3) . . ?
S9 Ag19 Ag16 55.02(7) . . ?
S9 Ag19 S16 102.74(9) . . ?
S9 Ag19 P5 142.25(12) . . ?
S16 Ag19 Ag16 81.36(7) . . ?
P5 Ag19 Ag16 136.46(10) . . ?
P5 Ag19 S16 114.12(10) . . ?
Ag14 Ag20 Ag16 134.15(5) . . ?
Ag14 Ag20 Ag24 106.48(5) . . ?
Ag15 Ag20 Ag14 119.52(4) 3_666 . ?
Ag15 Ag20 Ag16 88.00(4) 3_666 . ?
Ag15 Ag20 Ag17 146.27(7) 3_666 . ?
Ag15 Ag20 Ag22 60.02(5) 3_666 . ?
Ag15 Ag20 Ag24 94.75(4) 3_666 . ?
Ag16 Ag20 Ag24 106.76(4) . . ?
Ag17 Ag20 Ag14 75.93(7) . . ?
Ag17 Ag20 Ag16 63.53(7) . . ?
Ag17 Ag20 Ag24 109.95(5) . . ?
Ag22 Ag20 Ag14 96.83(5) . . ?
Ag22 Ag20 Ag16 64.15(4) . . ?
Ag22 Ag20 Ag17 89.93(6) . . ?
Ag22 Ag20 Ag24 152.25(7) . . ?
Ag26 Ag20 Ag14 69.61(6) . . ?
Ag26 Ag20 Ag15 68.97(6) . 3_666 ?
Ag26 Ag20 Ag16 154.55(7) . . ?
Ag26 Ag20 Ag17 141.73(9) . . ?
Ag26 Ag20 Ag22 109.89(6) . . ?
Ag26 Ag20 Ag24 66.23(6) . . ?
Ag32 Ag20 Ag14 93.08(18) . . ?
Ag32 Ag20 Ag15 79.75(18) . 3_666 ?
Ag32 Ag20 Ag16 129.63(17) . . ?
Ag32 Ag20 Ag17 131.90(18) . . ?
Ag32 Ag20 Ag22 138.15(18) . . ?
Ag32 Ag20 Ag24 28.43(16) . . ?
Ag32 Ag20 Ag26 38.05(17) . . ?
Ag32 Ag20 S17 92.28(18) . . ?
Ag32 Ag20 S21 78.96(18) . . ?
S17 Ag20 Ag14 62.13(8) . . ?
S17 Ag20 Ag15 58.35(8) . 3_666 ?
S17 Ag20 Ag16 121.87(9) . . ?
S17 Ag20 Ag17 120.57(9) . . ?
S17 Ag20 Ag22 58.13(7) . . ?
S17 Ag20 Ag24 120.68(8) . . ?
S17 Ag20 Ag26 55.11(8) . . ?
S21 Ag20 Ag14 131.98(9) . . ?
S21 Ag20 Ag15 105.64(8) . 3_666 ?
S21 Ag20 Ag16 57.65(8) . . ?
S21 Ag20 Ag17 75.24(8) . . ?
S21 Ag20 Ag22 120.57(9) . . ?
S21 Ag20 Ag24 51.34(7) . . ?
S21 Ag20 Ag26 116.97(9) . . ?
S21 Ag20 S17 163.22(11) . . ?
Ag2 Ag21 Ag4 100.41(4) . . ?
Ag2 Ag21 Ag28 141.22(9) . . ?
Ag11 Ag21 Ag2 90.64(4) . . ?
Ag11 Ag21 Ag4 163.62(4) . . ?
Ag11 Ag21 Ag28 95.65(7) . . ?
Ag28 Ag21 Ag4 68.19(7) . . ?
Ag29 Ag21 Ag2 63.72(7) . . ?
Ag29 Ag21 Ag4 114.76(8) . . ?
Ag29 Ag21 Ag11 59.59(7) . . ?
Ag29 Ag21 Ag28 86.86(9) . . ?
S14 Ag21 Ag2 55.03(6) . . ?
S14 Ag21 Ag4 54.46(7) . . ?
S14 Ag21 Ag11 141.08(8) . . ?
S14 Ag21 Ag28 122.30(10) . . ?
S14 Ag21 Ag29 110.11(10) . . ?
S14 Ag21 S16 125.52(10) . . ?
S14 Ag21 S21 147.60(12) . . ?
S16 Ag21 Ag2 137.01(8) . . ?
S16 Ag21 Ag4 111.79(7) . . ?
S16 Ag21 Ag11 65.57(7) . . ?
S16 Ag21 Ag28 79.13(10) . . ?
S16 Ag21 Ag29 121.37(10) . . ?
S21 Ag21 Ag2 113.04(7) . . ?
S21 Ag21 Ag4 106.85(8) . . ?
S21 Ag21 Ag11 57.29(8) . . ?
S21 Ag21 Ag28 44.82(9) . . ?
S21 Ag21 Ag29 49.33(9) . . ?
S21 Ag21 S16 84.62(9) . . ?
Ag15 Ag22 Ag16 85.51(4) 3_666 . ?
Ag15 Ag22 Ag18 105.36(18) 3_666 . ?
Ag15 Ag22 Ag20 59.84(4) 3_666 . ?
Ag15 Ag22 Ag34 102.27(5) 3_666 . ?
Ag16 Ag22 Ag18 126.08(19) . . ?
Ag16 Ag22 Ag34 136.75(10) . . ?
Ag20 Ag22 Ag16 59.69(4) . . ?
Ag20 Ag22 Ag18 80.39(16) . . ?
Ag20 Ag22 Ag34 87.39(7) . . ?
Ag34 Ag22 Ag18 10.84(16) . . ?
S6 Ag22 Ag15 74.97(8) . 3_666 ?
S6 Ag22 Ag16 143.41(11) . . ?
S6 Ag22 Ag18 89.29(19) . . ?
S6 Ag22 Ag20 128.29(7) . . ?
S6 Ag22 Ag34 78.45(7) . . ?
S6 Ag22 S17 85.51(10) . . ?
S17 Ag22 Ag15 55.99(7) . 3_666 ?
S17 Ag22 Ag16 108.93(9) . . ?
S17 Ag22 Ag18 50.24(18) . . ?
S17 Ag22 Ag20 49.55(8) . . ?
S17 Ag22 Ag34 50.21(7) . . ?
S20 Ag22 Ag15 136.41(8) . 3_666 ?
S20 Ag22 Ag16 51.70(7) . . ?
S20 Ag22 Ag18 106.9(2) . . ?
S20 Ag22 Ag20 97.83(10) . . ?
S20 Ag22 Ag34 114.34(12) . . ?
S20 Ag22 S6 133.38(13) . . ?
S20 Ag22 S17 138.29(17) . . ?
Ag1 Ag23 Ag9 88.35(3) . 3_666 ?
Ag1 Ag23 Ag12 75.85(3) . . ?
Ag12 Ag23 Ag9 60.60(3) . 3_666 ?
Ag13 Ag23 Ag1 147.73(6) . . ?
Ag13 Ag23 Ag9 107.71(4) . 3_666 ?
Ag13 Ag23 Ag12 136.40(5) . . ?
Ag25 Ag23 Ag1 144.71(6) . . ?
Ag25 Ag23 Ag9 59.36(5) . 3_666 ?
Ag25 Ag23 Ag12 75.80(6) . . ?
Ag25 Ag23 Ag13 63.90(5) . . ?
S3 Ag23 Ag1 56.90(6) . . ?
S3 Ag23 Ag9 127.87(8) . 3_666 ?
S3 Ag23 Ag12 72.98(7) . . ?
S3 Ag23 Ag13 122.45(7) . . ?
S3 Ag23 Ag25 131.21(9) . . ?
S15 Ag23 Ag1 117.59(7) 3_666 . ?
S15 Ag23 Ag9 51.62(7) 3_666 3_666 ?
S15 Ag23 Ag12 109.02(8) 3_666 . ?
S15 Ag23 Ag13 60.31(7) 3_666 . ?
S15 Ag23 Ag25 54.62(7) 3_666 . ?
S15 Ag23 S3 173.91(10) 3_666 . ?
Ag7 Ag24 Ag20 73.27(4) 3_666 . ?
Ag7 Ag24 Ag26 95.92(6) 3_666 . ?
Ag11 Ag24 Ag7 109.96(4) . 3_666 ?
Ag11 Ag24 Ag20 67.93(4) . . ?
Ag11 Ag24 Ag26 100.93(6) . . ?
Ag20 Ag24 Ag26 50.53(5) . . ?
Ag25 Ag24 Ag7 117.69(6) 3_666 3_666 ?
Ag25 Ag24 Ag11 120.62(7) 3_666 . ?
Ag25 Ag24 Ag20 157.25(7) 3_666 . ?
Ag25 Ag24 Ag26 106.98(7) 3_666 . ?
Ag32 Ag24 Ag7 85.1(2) . 3_666 ?
Ag32 Ag24 Ag11 92.7(2) . . ?
Ag32 Ag24 Ag20 34.3(2) . . ?
Ag32 Ag24 Ag25 123.5(2) . 3_666 ?
Ag32 Ag24 Ag26 16.8(2) . . ?
Ag32 Ag24 S15 175.5(2) . . ?
Ag32 Ag24 S21 78.9(2) . . ?
Ag32 Ag24 S22 40.2(2) . 3_666 ?
Ag32 Ag24 S22 62.3(2) . . ?
S15 Ag24 Ag7 95.59(8) . 3_666 ?
S15 Ag24 Ag11 91.26(7) . . ?
S15 Ag24 Ag20 150.05(7) . . ?
S15 Ag24 Ag25 52.28(8) . 3_666 ?
S15 Ag24 Ag26 159.24(8) . . ?
S21 Ag24 Ag7 55.69(7) . 3_666 ?
S21 Ag24 Ag11 55.29(7) . . ?
S21 Ag24 Ag20 45.48(8) . . ?
S21 Ag24 Ag25 157.26(11) . 3_666 ?
S21 Ag24 Ag26 95.60(9) . . ?
S21 Ag24 S15 105.15(10) . . ?
S21 Ag24 S22 141.19(15) . . ?
S22 Ag24 Ag7 104.72(15) 3_666 3_666 ?
S22 Ag24 Ag7 116.50(13) . 3_666 ?
S22 Ag24 Ag11 123.43(12) . . ?
S22 Ag24 Ag11 116.98(13) 3_666 . ?
S22 Ag24 Ag20 96.08(12) . . ?
S22 Ag24 Ag20 74.33(13) 3_666 . ?
S22 Ag24 Ag25 83.35(13) 3_666 3_666 ?
S22 Ag24 Ag25 61.34(12) . 3_666 ?
S22 Ag24 Ag26 23.85(12) 3_666 . ?
S22 Ag24 Ag26 45.64(12) . . ?
S22 Ag24 S15 135.58(14) 3_666 . ?
S22 Ag24 S15 113.61(13) . . ?
S22 Ag24 S21 119.00(15) 3_666 . ?
S22 Ag24 S22 22.3(2) 3_666 . ?
Ag9 Ag25 Ag32 116.19(13) 3_666 . ?
Ag13 Ag25 Ag9 111.95(6) . 3_666 ?
Ag13 Ag25 Ag32 127.86(13) . . ?
Ag23 Ag25 Ag9 69.64(6) . 3_666 ?
Ag23 Ag25 Ag13 59.32(5) . . ?
Ag23 Ag25 Ag32 159.06(16) . . ?
Ag24 Ag25 Ag9 72.45(6) 3_666 3_666 ?
Ag24 Ag25 Ag13 91.33(7) 3_666 . ?
Ag24 Ag25 Ag23 115.48(7) 3_666 . ?
Ag24 Ag25 Ag32 85.06(15) 3_666 . ?
Ag26 Ag25 Ag9 117.51(14) . 3_666 ?
Ag26 Ag25 Ag13 123.74(15) . . ?
Ag26 Ag25 Ag23 164.67(16) . . ?
Ag26 Ag25 Ag24 79.84(15) . 3_666 ?
Ag26 Ag25 Ag32 6.45(16) . . ?
Ag26 Ag25 S15 142.2(2) . 3_666 ?
Ag26 Ag25 S17 73.51(12) . . ?
Ag26 Ag25 S22 23.33(14) . 3_666 ?
S15 Ag25 Ag9 56.14(7) 3_666 3_666 ?
S15 Ag25 Ag13 57.82(7) 3_666 . ?
S15 Ag25 Ag23 53.05(9) 3_666 . ?
S15 Ag25 Ag24 62.58(10) 3_666 3_666 ?
S15 Ag25 Ag32 147.64(19) 3_666 . ?
S15 Ag25 S22 119.52(17) 3_666 3_666 ?
S17 Ag25 Ag9 117.32(12) . 3_666 ?
S17 Ag25 Ag13 106.07(11) . . ?
S17 Ag25 Ag23 91.18(12) . . ?
S17 Ag25 Ag24 153.14(13) . 3_666 ?
S17 Ag25 Ag32 68.12(15) . . ?
S17 Ag25 S15 144.21(17) . 3_666 ?
S17 Ag25 S22 96.20(14) . 3_666 ?
S22 Ag25 Ag9 102.45(13) 3_666 3_666 ?
S22 Ag25 Ag13 122.67(15) 3_666 . ?
S22 Ag25 Ag23 171.13(13) 3_666 . ?
S22 Ag25 Ag24 56.95(12) 3_666 3_666 ?
S22 Ag25 Ag32 28.13(16) 3_666 . ?
Ag14 Ag26 Ag8 161.77(8) . . ?
Ag20 Ag26 Ag8 105.11(8) . . ?
Ag20 Ag26 Ag14 59.06(5) . . ?
Ag20 Ag26 Ag24 63.24(5) . . ?
Ag24 Ag26 Ag8 64.47(5) . . ?
Ag24 Ag26 Ag14 98.47(6) . . ?
Ag25 Ag26 Ag8 108.16(13) . . ?
Ag25 Ag26 Ag14 89.23(12) . . ?
Ag25 Ag26 Ag20 123.74(14) . . ?
Ag25 Ag26 Ag24 171.85(14) . . ?
Ag25 Ag26 S17 69.95(14) . . ?
Ag25 Ag26 S22 121.0(2) . . ?
S17 Ag26 Ag8 123.16(11) . . ?
S17 Ag26 Ag14 57.00(9) . . ?
S17 Ag26 Ag20 53.92(8) . . ?
S17 Ag26 Ag24 116.56(10) . . ?
S22 Ag26 Ag8 51.60(14) . . ?
S22 Ag26 Ag14 123.88(15) . . ?
S22 Ag26 Ag20 115.20(16) . . ?
S22 Ag26 Ag24 52.08(14) . . ?
S22 Ag26 S17 168.16(18) . . ?
S9 Ag27 Ag28 41.25(9) . . ?
S16 Ag27 Ag28 78.26(10) . . ?
S16 Ag27 S9 87.97(11) . . ?
S16 Ag27 S20 125.63(14) . . ?
S20 Ag27 Ag28 76.47(11) . . ?
S20 Ag27 S9 102.67(12) . . ?
P5 Ag27 Ag28 151.91(16) . . ?
P5 Ag27 S9 110.69(15) . . ?
P5 Ag27 S16 104.08(13) . . ?
P5 Ag27 S20 120.28(13) . . ?
Ag7 Ag28 Ag21 85.78(10) 3_666 . ?
Ag7 Ag28 Ag27 162.10(13) 3_666 . ?
Ag21 Ag28 Ag27 88.38(10) . . ?
S7 Ag28 Ag7 52.25(8) 3_666 3_666 ?
S7 Ag28 Ag21 137.31(14) 3_666 . ?
S7 Ag28 Ag27 128.79(17) 3_666 . ?
S9 Ag28 Ag7 134.63(19) . 3_666 ?
S9 Ag28 Ag21 83.10(12) . . ?
S9 Ag28 Ag27 61.02(12) . . ?
S9 Ag28 S7 130.09(16) . 3_666 ?
S9 Ag28 S21 134.73(19) . . ?
S21 Ag28 Ag7 58.45(10) . 3_666 ?
S21 Ag28 Ag21 52.35(10) . . ?
S21 Ag28 Ag27 104.95(14) . . ?
S21 Ag28 S7 93.23(13) . 3_666 ?
Ag2 Ag29 Ag9 69.46(7) . . ?
Ag2 Ag29 Ag10 59.55(6) . . ?
Ag7 Ag29 Ag2 124.84(11) 3_666 . ?
Ag7 Ag29 Ag9 162.97(10) 3_666 . ?
Ag7 Ag29 Ag10 70.85(7) 3_666 . ?
Ag10 Ag29 Ag9 116.31(10) . . ?
Ag11 Ag29 Ag2 89.88(8) . . ?
Ag11 Ag29 Ag7 118.84(11) . 3_666 ?
Ag11 Ag29 Ag9 66.28(7) . . ?
Ag11 Ag29 Ag10 141.34(10) . . ?
Ag21 Ag29 Ag2 60.45(6) . . ?
Ag21 Ag29 Ag7 91.47(9) . 3_666 ?
Ag21 Ag29 Ag9 104.65(9) . . ?
Ag21 Ag29 Ag10 81.77(8) . . ?
Ag21 Ag29 Ag11 61.58(7) . . ?
Ag31 Ag29 Ag2 118.26(18) 3_666 . ?
Ag31 Ag29 Ag9 61.11(16) 3_666 . ?
Ag31 Ag29 Ag10 113.61(17) 3_666 . ?
Ag31 Ag29 Ag11 101.21(18) 3_666 . ?
Ag31 Ag29 Ag21 162.1(2) 3_666 . ?
S15 Ag29 Ag2 56.34(10) . . ?
S15 Ag29 Ag7 123.28(16) . 3_666 ?
S15 Ag29 Ag9 53.95(12) . . ?
S15 Ag29 Ag10 66.58(12) . . ?
S15 Ag29 Ag11 117.86(16) . . ?
S15 Ag29 Ag21 116.78(15) . . ?
S15 Ag29 Ag31 65.20(18) . 3_666 ?
S15 Ag29 S21 172.75(18) . . ?
S21 Ag29 Ag2 116.41(12) . . ?
S21 Ag29 Ag7 59.61(10) . 3_666 ?
S21 Ag29 Ag9 125.60(14) . . ?
S21 Ag29 Ag10 110.40(14) . . ?
S21 Ag29 Ag11 59.94(10) . . ?
S21 Ag29 Ag21 55.97(9) . . ?
S21 Ag29 Ag31 121.6(2) . 3_666 ?
Ag0A Ag30 Ag1A 68.8(4) . . ?
Ag0A Ag30 Ag5 140.3(4) . . ?
Ag5 Ag30 Ag1A 78.2(3) . . ?
Ag15 Ag30 Ag0A 53.7(2) 3_666 . ?
Ag15 Ag30 Ag1A 119.3(4) 3_666 . ?
Ag15 Ag30 Ag5 162.3(5) 3_666 . ?
S17 Ag30 Ag0A 46.5(3) . . ?
S17 Ag30 Ag1A 98.2(5) . . ?
S17 Ag30 Ag5 121.8(3) . . ?
S17 Ag30 Ag15 56.18(14) . 3_666 ?
S17 Ag30 S20 174.5(4) . . ?
S20 Ag30 Ag0A 138.1(5) . . ?
S20 Ag30 Ag1A 82.6(4) . . ?
S20 Ag30 Ag5 52.97(14) . . ?
S20 Ag30 Ag15 128.0(3) . 3_666 ?
Ag0A Ag31 Ag8 76.8(3) . . ?
Ag8 Ag31 Ag8 100.31(17) . 3_666 ?
Ag9 Ag31 Ag8 164.7(2) 3_666 3_666 ?
Ag9 Ag31 Ag8 77.65(15) 3_666 . ?
Ag29 Ag31 Ag0A 164.4(4) 3_666 . ?
Ag29 Ag31 Ag8 102.4(2) 3_666 . ?
S15 Ag31 Ag0A 149.8(4) 3_666 . ?
S15 Ag31 Ag8 126.5(2) 3_666 . ?
S15 Ag31 Ag8 118.6(2) 3_666 3_666 ?
S15 Ag31 Ag9 55.00(13) 3_666 3_666 ?
S15 Ag31 Ag29 41.30(14) 3_666 3_666 ?
S22 Ag31 Ag0A 48.9(3) 3_666 . ?
S22 Ag31 Ag0A 71.5(3) . . ?
S22 Ag31 Ag8 51.0(2) 3_666 . ?
S22 Ag31 Ag8 52.38(18) . . ?
S22 Ag31 Ag8 51.6(2) 3_666 3_666 ?
S22 Ag31 Ag8 49.42(17) . 3_666 ?
S22 Ag31 Ag9 123.4(3) . 3_666 ?
S22 Ag31 Ag9 128.7(3) 3_666 3_666 ?
S22 Ag31 Ag29 95.5(3) . 3_666 ?
S22 Ag31 Ag29 118.5(3) 3_666 3_666 ?
S22 Ag31 S15 136.6(3) . 3_666 ?
S22 Ag31 S15 159.5(4) 3_666 3_666 ?
S22 Ag31 S22 23.0(3) 3_666 . ?
Ag20 Ag32 Ag8 133.5(3) . . ?
Ag20 Ag32 Ag25 90.9(2) . . ?
Ag20 Ag32 S21 54.83(15) . . ?
Ag20 Ag32 S22 161.9(3) . . ?
Ag24 Ag32 Ag8 85.1(2) . . ?
Ag24 Ag32 Ag20 117.3(3) . . ?
Ag24 Ag32 Ag25 151.3(3) . . ?
Ag24 Ag32 S21 63.52(18) . . ?
Ag24 Ag32 S22 77.8(3) . . ?
Ag25 Ag32 Ag8 78.50(12) . . ?
S21 Ag32 Ag8 118.9(2) . . ?
S21 Ag32 Ag25 145.2(3) . . ?
S22 Ag32 Ag8 53.41(17) . . ?
S22 Ag32 Ag25 73.5(2) . . ?
S22 Ag32 S21 141.3(3) . . ?
Ag12 Ag33 Ag13 142.9(2) . . ?
S3 Ag33 Ag12 85.39(16) . . ?
S3 Ag33 Ag13 108.7(2) . . ?
S17 Ag33 Ag12 82.67(19) . . ?
S17 Ag33 Ag13 98.72(17) . . ?
S17 Ag33 S3 147.7(3) . . ?
Ag6 Ag34 Ag14 161.13(6) . . ?
Ag6 Ag34 Ag22 81.10(6) . . ?
Ag14 Ag34 Ag22 86.24(6) . . ?
Ag18 Ag34 Ag6 154.7(11) . . ?
Ag18 Ag34 Ag14 36.1(9) . . ?
Ag18 Ag34 Ag22 86.6(11) . . ?
Ag18 Ag34 S5 65.7(11) . . ?
Ag18 Ag34 S12 100.8(10) . . ?
Ag18 Ag34 S17 84.4(9) . . ?
S5 Ag34 Ag6 137.26(9) . . ?
S5 Ag34 Ag14 48.65(6) . . ?
S5 Ag34 Ag22 132.74(8) . . ?
S12 Ag34 Ag6 55.32(7) . . ?
S12 Ag34 Ag14 135.66(9) . . ?
S12 Ag34 Ag22 79.40(9) . . ?
S12 Ag34 S5 140.51(11) . . ?
S12 Ag34 S17 130.71(12) . . ?
S17 Ag34 Ag6 104.51(9) . . ?
S17 Ag34 Ag14 56.63(8) . . ?
S17 Ag34 Ag22 51.79(7) . . ?
S17 Ag34 S5 86.54(9) . . ?
Ag2 S1 Ag1 119.86(9) . 3_666 ?
Ag3 S1 Ag1 136.43(9) . 3_666 ?
Ag3 S1 Ag2 79.18(7) . . ?
C9 S1 Ag1 100.4(3) . 3_666 ?
C9 S1 Ag2 101.4(3) . . ?
C9 S1 Ag3 114.5(3) . . ?
Ag3 S2 Ag13 137.57(10) . 3_666 ?
Ag10 S2 Ag3 87.27(8) . . ?
Ag10 S2 Ag13 67.89(7) . 3_666 ?
C12 S2 Ag3 105.7(3) . . ?
C12 S2 Ag10 106.7(3) . . ?
C12 S2 Ag13 114.0(3) . 3_666 ?
Ag6 S3 Ag1 123.78(10) . . ?
Ag23 S3 Ag1 74.92(7) . . ?
Ag23 S3 Ag6 128.10(10) . . ?
Ag33 S3 Ag1 107.66(18) . . ?
Ag33 S3 Ag6 89.99(19) . . ?
C10 S3 Ag1 106.6(3) . . ?
C10 S3 Ag6 110.7(4) . . ?
C10 S3 Ag23 107.2(3) . . ?
C10 S3 Ag33 118.1(3) . . ?
Ag9 S4 Ag2 86.62(7) . . ?
Ag11 S4 Ag2 107.55(9) . . ?
Ag11 S4 Ag9 85.07(8) . . ?
C1 S4 Ag2 132.1(3) . . ?
C1 S4 Ag9 116.5(3) . . ?
C1 S4 Ag11 115.4(3) . . ?
Ag13 S5 Ag14 101.47(9) . . ?
Ag13 S5 Ag34 122.17(10) . . ?
Ag14 S5 Ag34 79.77(9) . . ?
Ag18 S5 Ag13 131.3(3) . . ?
Ag18 S5 Ag14 69.3(2) . . ?
Ag18 S5 Ag34 13.6(2) . . ?
C84 S5 Ag13 113.7(4) . . ?
C84 S5 Ag14 115.3(4) . . ?
C84 S5 Ag18 113.2(5) . . ?
C84 S5 Ag34 117.4(5) . . ?
Ag12 S6 Ag6 93.74(9) . . ?
Ag12 S6 Ag22 110.82(11) . . ?
Ag22 S6 Ag6 108.19(11) . . ?
C25 S6 Ag6 105.7(4) . . ?
C25 S6 Ag12 108.3(5) . . ?
C25 S6 Ag22 125.3(4) . . ?
Ag7 S7 Ag16 91.62(8) . 3_666 ?
Ag7 S7 Ag28 70.85(11) . 3_666 ?
Ag15 S7 Ag7 88.80(9) . . ?
Ag15 S7 Ag16 107.01(10) . 3_666 ?
Ag15 S7 Ag28 118.68(13) . 3_666 ?
C3 S7 Ag7 113.0(3) . . ?
C3 S7 Ag15 111.8(3) . . ?
C3 S7 Ag16 133.7(3) . 3_666 ?
C3 S7 Ag28 129.5(3) . 3_666 ?
Ag9 S8 Ag8 101.70(9) . 3_666 ?
Ag15 S8 Ag8 95.91(9) . 3_666 ?
Ag15 S8 Ag9 124.50(10) . . ?
C15 S8 Ag8 115.2(3) . 3_666 ?
C15 S8 Ag9 109.5(3) . . ?
C15 S8 Ag15 109.4(3) . . ?
Ag4 S9 Ag16 123.69(11) . . ?
Ag4 S9 Ag27 143.42(12) . . ?
Ag19 S9 Ag4 128.38(11) . . ?
Ag19 S9 Ag16 77.86(8) . . ?
Ag28 S9 Ag4 97.69(16) . . ?
Ag28 S9 Ag27 77.73(14) . . ?
C18 S9 Ag4 103.6(4) . . ?
C18 S9 Ag16 102.0(3) . . ?
C18 S9 Ag19 117.8(4) . . ?
C18 S9 Ag27 112.1(4) . . ?
C18 S9 Ag28 110.2(4) . . ?
Ag11 S10 Ag8 105.61(10) . 3_666 ?
Ag14 S10 Ag8 90.48(8) . 3_666 ?
Ag14 S10 Ag11 122.30(12) . . ?
C46 S10 Ag8 114.5(3) . 3_666 ?
C46 S10 Ag11 108.5(3) . . ?
C46 S10 Ag14 114.1(3) . . ?
Ag7 S11 Ag8 96.38(9) . 3_666 ?
Ag7 S11 Ag13 117.89(9) . . ?
Ag8 S11 Ag13 118.54(11) 3_666 . ?
C37 S11 Ag7 109.2(4) . . ?
C37 S11 Ag8 105.1(3) . 3_666 ?
C37 S11 Ag13 108.6(4) . . ?
Ag5 S12 Ag6 143.96(12) . . ?
Ag18 S12 Ag5 81.0(3) . . ?
Ag18 S12 Ag6 90.2(2) . . ?
Ag34 S12 Ag5 93.24(10) . . ?
Ag34 S12 Ag6 76.68(8) . . ?
Ag34 S12 Ag18 13.7(2) . . ?
C32 S12 Ag5 101.3(3) . . ?
C32 S12 Ag6 114.8(3) . . ?
C32 S12 Ag18 103.4(5) . . ?
C32 S12 Ag34 106.9(4) . . ?
Ag1 S13 Ag9 114.28(11) . 3_666 ?
Ag12 S13 Ag1 106.11(11) . . ?
Ag12 S13 Ag9 79.84(8) . 3_666 ?
C49 S13 Ag1 110.1(4) . . ?
C49 S13 Ag9 128.9(4) . 3_666 ?
C49 S13 Ag12 111.0(4) . . ?
Ag2 S14 Ag4 132.84(10) . . ?
Ag21 S14 Ag2 74.74(7) . . ?
Ag21 S14 Ag4 79.05(8) . . ?
C21 S14 Ag2 110.9(4) . . ?
C21 S14 Ag4 111.1(4) . . ?
C21 S14 Ag21 98.0(4) . . ?
Ag2 S15 Ag9 87.97(8) . . ?
Ag2 S15 Ag13 121.63(10) . 3_666 ?
Ag2 S15 Ag24 116.77(11) . . ?
Ag9 S15 Ag13 143.73(12) . 3_666 ?
Ag9 S15 Ag24 80.84(8) . . ?
Ag13 S15 Ag24 100.60(9) 3_666 . ?
Ag23 S15 Ag2 102.54(11) 3_666 . ?
Ag23 S15 Ag9 84.59(11) 3_666 . ?
Ag23 S15 Ag13 69.74(8) 3_666 3_666 ?
Ag23 S15 Ag24 137.23(11) 3_666 . ?
Ag23 S15 Ag25 72.32(12) 3_666 3_666 ?
Ag23 S15 Ag31 96.03(18) 3_666 3_666 ?
Ag25 S15 Ag2 162.91(14) 3_666 . ?
Ag25 S15 Ag9 75.43(9) 3_666 . ?
Ag25 S15 Ag13 72.64(8) 3_666 3_666 ?
Ag25 S15 Ag24 65.15(10) 3_666 . ?
Ag25 S15 Ag31 24.17(14) 3_666 3_666 ?
Ag29 S15 Ag2 86.93(13) . . ?
Ag29 S15 Ag9 91.29(14) . . ?
Ag31 S15 Ag2 151.56(18) 3_666 . ?
Ag31 S15 Ag9 72.41(17) 3_666 . ?
Ag17 S16 Ag19 92.55(12) . . ?
Ag17 S16 Ag21 109.18(10) . . ?
Ag19 S16 Ag21 98.61(9) . . ?
Ag21 S16 Ag1A 104.7(2) . . ?
Ag27 S16 Ag1A 79.3(3) . . ?
Ag27 S16 Ag21 107.82(10) . . ?
C36 S16 Ag1A 109.4(4) . . ?
C36 S16 Ag17 110.4(4) . . ?
C36 S16 Ag19 103.2(3) . . ?
C36 S16 Ag21 133.4(4) . . ?
C36 S16 Ag27 109.0(3) . . ?
Ag0A S17 Ag14 72.7(3) . . ?
Ag15 S17 Ag14 141.06(11) 3_666 . ?
Ag18 S17 Ag14 61.7(2) . . ?
Ag18 S17 Ag15 144.4(2) . 3_666 ?
Ag18 S17 Ag22 78.4(3) . . ?
Ag20 S17 Ag14 70.63(9) . . ?
Ag20 S17 Ag15 72.02(8) . 3_666 ?
Ag20 S17 Ag18 109.5(3) . . ?
Ag20 S17 Ag22 72.32(9) . . ?
Ag20 S17 Ag26 70.97(10) . . ?
Ag20 S17 Ag34 121.73(12) . . ?
Ag22 S17 Ag14 109.71(11) . . ?
Ag22 S17 Ag15 68.11(9) . 3_666 ?
Ag25 S17 Ag14 87.78(11) . . ?
Ag25 S17 Ag15 93.12(10) . 3_666 ?
Ag25 S17 Ag18 118.6(3) . . ?
Ag25 S17 Ag20 107.45(13) . . ?
Ag25 S17 Ag22 160.62(15) . . ?
Ag25 S17 Ag26 36.55(9) . . ?
Ag25 S17 Ag34 116.03(13) . . ?
Ag26 S17 Ag14 78.01(11) . . ?
Ag26 S17 Ag15 79.85(10) . 3_666 ?
Ag26 S17 Ag18 135.3(3) . . ?
Ag26 S17 Ag22 137.02(13) . . ?
Ag26 S17 Ag34 141.71(14) . . ?
Ag30 S17 Ag0A 88.2(5) . . ?
Ag30 S17 Ag14 90.9(3) . . ?
Ag33 S17 Ag0A 141.7(4) . . ?
Ag33 S17 Ag14 101.76(16) . . ?
Ag33 S17 Ag30 130.0(4) . . ?
Ag34 S17 Ag14 74.17(8) . . ?
Ag34 S17 Ag15 137.34(13) . 3_666 ?
Ag34 S17 Ag18 13.8(2) . . ?
Ag34 S17 Ag22 78.00(9) . . ?
Ag1A S18 Ag5 122.6(5) . . ?
Ag1A S18 Ag14 74.8(5) . . ?
Ag5 S18 Ag14 131.93(10) . . ?
Ag5 S18 Ag18 75.3(2) . . ?
Ag14 S18 Ag18 58.50(19) . . ?
Ag17 S18 Ag5 108.77(15) . . ?
Ag17 S18 Ag14 89.93(10) . . ?
Ag17 S18 Ag18 126.0(2) . . ?
C85 S18 Ag1A 105.1(4) . . ?
C85 S18 Ag5 108.2(4) . . ?
C85 S18 Ag14 108.8(4) . . ?
C85 S18 Ag17 105.1(4) . . ?
C85 S18 Ag18 125.2(4) . . ?
Ag4 S19 Ag7 127.74(12) . 3_666 ?
Ag10 S19 Ag4 110.63(12) . . ?
Ag10 S19 Ag7 88.52(9) . 3_666 ?
C14 S19 Ag4 109.4(4) . . ?
C14 S19 Ag7 108.7(3) . 3_666 ?
C14 S19 Ag10 109.3(4) . . ?
Ag5 S20 Ag27 110.32(14) . . ?
Ag16 S20 Ag5 139.51(15) . . ?
Ag22 S20 Ag5 85.12(10) . . ?
Ag22 S20 Ag16 79.49(8) . . ?
Ag30 S20 Ag5 79.88(18) . . ?
Ag30 S20 Ag27 113.1(3) . . ?
C26 S20 Ag5 110.5(3) . . ?
C26 S20 Ag16 108.7(3) . . ?
C26 S20 Ag22 98.7(3) . . ?
C26 S20 Ag27 116.5(3) . . ?
C26 S20 Ag30 120.4(4) . . ?
Ag7 S21 Ag0A 85.6(3) 3_666 . ?
Ag7 S21 Ag16 90.64(9) 3_666 . ?
Ag7 S21 Ag32 77.86(14) 3_666 . ?
Ag11 S21 Ag0A 86.3(2) . . ?
Ag11 S21 Ag7 144.29(11) . 3_666 ?
Ag11 S21 Ag16 125.03(10) . . ?
Ag11 S21 Ag32 83.35(16) . . ?
Ag16 S21 Ag32 117.20(18) . . ?
Ag20 S21 Ag7 98.01(9) . 3_666 ?
Ag20 S21 Ag11 90.21(11) . . ?
Ag20 S21 Ag16 75.94(9) . . ?
Ag20 S21 Ag21 152.68(13) . . ?
Ag20 S21 Ag24 83.18(11) . . ?
Ag20 S21 Ag32 46.21(16) . . ?
Ag21 S21 Ag0A 156.0(3) . . ?
Ag21 S21 Ag7 108.92(12) . 3_666 ?
Ag21 S21 Ag11 70.65(8) . . ?
Ag21 S21 Ag16 98.78(10) . . ?
Ag21 S21 Ag24 108.38(11) . . ?
Ag21 S21 Ag32 143.57(19) . . ?
Ag24 S21 Ag7 73.40(7) . 3_666 ?
Ag24 S21 Ag11 73.19(9) . . ?
Ag24 S21 Ag16 151.70(12) . . ?
Ag24 S21 Ag32 37.56(16) . . ?
Ag28 S21 Ag0A 119.8(3) . . ?
Ag28 S21 Ag11 135.98(13) . . ?
Ag28 S21 Ag21 82.83(13) . . ?
Ag28 S21 Ag29 134.1(2) . . ?
Ag29 S21 Ag0A 92.2(3) . . ?
Ag29 S21 Ag11 72.13(11) . . ?
Ag29 S21 Ag21 74.70(11) . . ?
Ag0A S22 Ag8 92.6(3) 3_666 . ?
Ag0A S22 Ag31 114.1(4) 3_666 . ?
Ag8 S22 Ag8 158.0(2) 3_666 . ?
Ag8 S22 Ag24 85.28(15) 3_666 . ?
Ag8 S22 Ag25 92.00(17) . 3_666 ?
Ag8 S22 Ag25 100.28(18) 3_666 3_666 ?
Ag24 S22 Ag8 92.47(19) 3_666 3_666 ?
Ag24 S22 Ag8 84.65(17) . . ?
Ag24 S22 Ag8 89.53(17) 3_666 . ?
Ag24 S22 Ag24 157.7(2) 3_666 . ?
Ag24 S22 Ag25 61.70(13) . 3_666 ?
Ag24 S22 Ag25 140.2(2) 3_666 3_666 ?
Ag24 S22 Ag26 75.73(17) 3_666 . ?
Ag24 S22 Ag32 117.9(3) 3_666 . ?
Ag26 S22 Ag8 75.60(15) . 3_666 ?
Ag26 S22 Ag8 83.75(17) . . ?
Ag26 S22 Ag24 82.28(16) . . ?
Ag26 S22 Ag25 144.0(2) . 3_666 ?
Ag31 S22 Ag8 93.4(3) 3_666 . ?
Ag31 S22 Ag8 81.0(2) . . ?
Ag31 S22 Ag31 157.0(3) 3_666 . ?
Ag32 S22 Ag8 79.2(2) . 3_666 ?
Ag32 S22 Ag8 80.6(2) . . ?
Ag32 S22 Ag24 39.91(18) . . ?
Ag32 S22 Ag25 101.6(2) . 3_666 ?
Ag32 S22 Ag26 42.43(18) . . ?
S22 S22 Ag0A 159.8(8) 3_666 3_666 ?
S22 S22 Ag8 74.7(6) 3_666 . ?
S22 S22 Ag8 83.4(6) 3_666 3_666 ?
S22 S22 Ag24 62.6(6) 3_666 . ?
S22 S22 Ag24 95.1(7) 3_666 3_666 ?
S22 S22 Ag25 123.6(7) 3_666 3_666 ?
S22 S22 Ag26 21.4(5) 3_666 . ?
S22 S22 Ag31 107.7(7) 3_666 3_666 ?
S22 S22 Ag31 49.3(6) 3_666 . ?
S22 S22 Ag32 23.2(5) 3_666 . ?
C2 P1 Ag6 115.6(4) . . ?
C2 P1 C4 99.6(8) . . ?
C2 P1 C44 104.1(6) . . ?
C4 P1 Ag6 121.9(7) . . ?
C44 P1 Ag6 112.7(5) . . ?
C44 P1 C4 100.3(7) . . ?
C184 P1 Ag6 109.2(9) . . ?
C184 P1 C2 110.4(13) . . ?
C184 P1 C44 104.1(9) . . ?
C20 P2 Ag1 119.4(4) . . ?
C20 P2 C62 105.1(5) . . ?
C59 P2 Ag1 108.5(4) . . ?
C59 P2 C20 105.3(5) . . ?
C59 P2 C62 103.8(5) . . ?
C62 P2 Ag1 113.3(4) . . ?
C13 P3 Ag3 114.8(4) . . ?
C13 P3 C17 105.8(5) . . ?
C17 P3 Ag3 115.2(3) . . ?
C47 P3 Ag3 113.1(4) . . ?
C47 P3 C13 104.5(4) . . ?
C47 P3 C17 102.0(5) . . ?
C43 P4 Ag4 107.0(4) . . ?
C43 P4 C70 101.3(8) . . ?
C56 P4 Ag4 120.3(4) . . ?
C56 P4 C43 106.5(6) . . ?
C56 P4 C70 108.2(8) . . ?
C70 P4 Ag4 111.7(8) . . ?
C197 P4 Ag4 120.5(9) . . ?
C197 P4 C43 105.3(9) . . ?
C197 P4 C56 95.7(10) . . ?
C41 P5 Ag19 115.7(4) . . ?
C41 P5 Ag27 108.5(3) . . ?
C41 P5 C64 105.8(6) . . ?
C64 P5 Ag19 119.8(4) . . ?
C64 P5 Ag27 101.8(3) . . ?
C110 P5 Ag19 107.6(4) . . ?
C110 P5 Ag27 132.4(4) . . ?
C110 P5 C41 102.7(6) . . ?
C110 P5 C64 103.2(5) . . ?
C76 P6 Ag5 107.8(4) . . ?
C76 P6 C163 102.6(6) . . ?
C163 P6 Ag5 111.8(4) . . ?
C174 P6 Ag5 125.5(4) . . ?
C174 P6 C76 104.0(6) . . ?
C174 P6 C163 102.7(6) . . ?
C11 C1 S4 120.5(7) . . ?
C11 C1 C83 119.0(9) . . ?
C83 C1 S4 120.4(8) . . ?
C35 C2 P1 123.6(10) . . ?
C78 C2 P1 118.9(9) . . ?
C78 C2 C35 117.5(12) . . ?
C5 C3 S7 119.6(8) . . ?
C40 C3 S7 121.3(9) . . ?
C40 C3 C5 119.2(11) . . ?
C154 C4 P1 114.6(16) . . ?
C167 C4 P1 124.4(16) . . ?
C167 C4 C154 120.4(18) . . ?
C60 C5 C3 121.0(11) . . ?
C18 C6 C54 118.6(14) . . ?
C43 C7 C17 110.9(8) . . ?
C33 C8 C18 119.4(12) . . ?
C19 C9 S1 119.6(7) . . ?
C19 C9 C53 117.7(8) . . ?
C53 C9 S1 122.5(7) . . ?
C16 C10 S3 121.9(8) . . ?
C16 C10 C61 118.4(10) . . ?
C61 C10 S3 119.7(9) . . ?
C1 C11 C91 121.2(10) . . ?
C158 C12 S2 121.9(11) . . ?
C158 C12 C190 118.5(15) . . ?
C190 C12 S2 119.5(11) . . ?
C192 C12 S2 125.4(10) . . ?
C192 C12 C195 114.4(15) . . ?
C195 C12 S2 119.5(11) . . ?
C23 C13 P3 118.1(7) . . ?
C23 C13 C104 119.1(9) . . ?
C104 C13 P3 122.8(9) . . ?
C57 C14 S19 122.0(9) . . ?
C57 C14 C90 117.2(13) . . ?
C90 C14 S19 120.8(10) . . ?
C22 C15 S8 121.6(8) . . ?
C45 C15 S8 120.2(8) . . ?
C45 C15 C22 118.2(10) . . ?
C10 C16 C93 122.1(11) . . ?
C7 C17 P3 114.9(7) . . ?
C6 C18 S9 121.4(10) . . ?
C6 C18 C8 121.2(11) . . ?
C8 C18 S9 117.3(8) . . ?
C9 C19 C89 121.8(9) . . ?
C39 C20 P2 119.2(8) . . ?
C119 C20 P2 124.8(10) . . ?
C119 C20 C39 115.9(11) . . ?
C82 C21 S14 121.9(8) . . ?
C82 C21 C99 118.0(11) . . ?
C99 C21 S14 120.0(11) . . ?
C55 C22 C15 120.9(11) . . ?
C13 C23 C50 121.1(10) . . ?
F4 C24 C91 117.1(13) . . ?
C67 C24 F4 120.5(11) . . ?
C67 C24 C91 122.3(11) . . ?
C123 C25 S6 123.5(10) . . ?
C126 C25 S6 122.4(12) . . ?
C126 C25 C123 114.0(13) . . ?
C27 C26 S20 120.2(6) . . ?
C27 C26 C31 120.0 . . ?
C31 C26 S20 119.8(6) . . ?
C26 C27 C28 120.0 . . ?
C27 C28 C29 120.0 . . ?
F10 C29 C28 118.8(10) . . ?
F10 C29 C30 121.2(10) . . ?
C30 C29 C28 120.0 . . ?
C29 C30 C31 120.0 . . ?
C30 C31 C26 120.0 . . ?
C87 C32 S12 120.0(12) . . ?
C87 C32 C103 117.9(13) . . ?
C103 C32 S12 121.9(9) . . ?
C68 C33 C8 118.6(14) . . ?
C52 C34 F1 119.9(10) . . ?
C52 C34 C89 124.3(10) . . ?
C89 C34 F1 115.8(11) . . ?
C112 C35 C2 121.9(14) . . ?
C38 C36 S16 119.3(8) . . ?
C81 C36 S16 123.8(9) . . ?
C81 C36 C38 116.9(10) . . ?
C58 C37 S11 121.6(9) . . ?
C58 C37 C69 117.8(10) . . ?
C69 C37 S11 120.5(8) . . ?
C109 C38 C36 119.5(11) . . ?
C113 C39 C20 122.3(11) . . ?
C3 C40 C108 122.1(14) . . ?
C48 C41 P5 118.7(8) . . ?
C131 C41 P5 121.9(9) . . ?
C131 C41 C48 119.4(12) . . ?
C49 C42 C125 121.7(12) . . ?
C7 C43 P4 112.4(7) . . ?
C80 C44 P1 112.5(8) . . ?
C114 C45 C15 121.0(11) . . ?
C77 C46 S10 119.7(8) . . ?
C129 C46 S10 122.7(9) . . ?
C129 C46 C77 117.5(10) . . ?
C177 C47 P3 110.5(11) . . ?
C202 C47 P3 125.8(12) . . ?
C202 C47 C177 121.8(15) . . ?
C206 C47 P3 126.8(16) . . ?
C206 C47 C209 111(2) . . ?
C209 C47 P3 122.3(13) . . ?
C41 C48 C107 120.5(11) . . ?
C42 C49 S13 121.7(9) . . ?
C42 C49 C147 119.3(13) . . ?
C147 C49 S13 119.0(10) . . ?
C79 C50 C23 119.4(12) . . ?
C92 C51 C57 119.4(14) . . ?
C34 C52 C53 119.0(11) . . ?
C52 C53 C9 120.5(10) . . ?
C68 C54 C6 118.6(14) . . ?
C88 C55 C22 118.4(12) . . ?
C66 C56 P4 119.0(10) . . ?
C95 C56 P4 125.4(10) . . ?
C95 C56 C66 115.6(12) . . ?
C14 C57 C51 121.1(12) . . ?
C37 C58 C97 121.8(11) . . ?
C80 C59 P2 115.0(8) . . ?
C5 C60 C65 118.4(13) . . ?
C111 C61 C10 121.5(11) . . ?
C116 C62 P2 123.6(10) . . ?
C116 C62 C130 119.5(13) . . ?
C130 C62 P2 116.8(8) . . ?
C66 C63 C133 117.9(15) . . ?
C122 C64 P5 115.9(8) . . ?
F3 C65 C60 118.2(14) . . ?
F3 C65 C108 121.3(13) . . ?
C108 C65 C60 120.4(13) . . ?
C63 C66 C56 123.5(14) . . ?
C24 C67 C83 118.9(10) . . ?
F11 C68 C33 119.8(17) . . ?
C54 C68 F11 116.7(16) . . ?
C54 C68 C33 123.5(13) . . ?
C106 C69 C37 120.3(11) . . ?
C71 C70 P4 115.2(12) . . ?
C71 C70 C75 120.0 . . ?
C75 C70 P4 124.0(13) . . ?
C70 C71 C72 120.0 . . ?
C71 C72 C73 120.0 . . ?
C74 C73 C72 120.0 . . ?
C73 C74 C75 120.0 . . ?
C74 C75 C70 120.0 . . ?
C122 C76 P6 113.6(10) . . ?
C46 C77 C96 121.2(11) . . ?
C2 C78 C102 121.6(12) . . ?
C50 C79 C94 119.7(11) . . ?
C59 C80 C44 113.2(11) . . ?
C36 C81 C140 122.6(12) . . ?
C138 C82 C21 121.0(11) . . ?
C1 C83 C67 121.2(12) . . ?
C134 C84 S5 119.5(8) . . ?
C168 C84 S5 119.9(9) . . ?
C168 C84 C134 120.5(12) . . ?
C121 C85 S18 121.8(9) . . ?
C121 C85 C141 119.4(12) . . ?
C141 C85 S18 118.8(10) . . ?
C150 C86 C159 122(2) . . ?
C32 C87 C117 121.1(16) . . ?
C55 C88 F7 118.4(14) . . ?
C55 C88 C114 122.8(12) . . ?
C114 C88 F7 118.8(14) . . ?
C34 C89 C19 116.5(10) . . ?
C115 C90 C14 123.6(13) . . ?
C24 C91 C11 117.4(12) . . ?
F5 C92 C115 114.9(14) . . ?
C51 C92 F5 122.1(15) . . ?
C51 C92 C115 123.0(15) . . ?
C132 C93 C16 118.3(12) . . ?
C79 C94 C104 121.6(11) . . ?
C127 C95 C56 120.5(16) . . ?
C100 C96 C77 119.4(12) . . ?
C98 C97 C58 118.0(10) . . ?
F2 C98 C97 119.5(11) . . ?
F2 C98 C106 119.0(12) . . ?
C106 C98 C97 121.4(11) . . ?
C21 C99 C118 119.4(14) . . ?
F9 C100 C135 119.9(13) . . ?
C96 C100 F9 119.0(14) . . ?
C96 C100 C135 121.1(13) . . ?
F6 C101 C109 115.2(13) . . ?
C140 C101 F6 122.7(14) . . ?
C140 C101 C109 122.1(11) . . ?
C105 C102 C78 119.4(15) . . ?
C32 C103 C149 121.9(15) . . ?
C94 C104 C13 118.9(12) . . ?
C102 C105 C112 120.7(16) . . ?
C98 C106 C69 120.6(12) . . ?
C136 C107 C48 118.8(13) . . ?
C65 C108 C40 118.9(13) . . ?
C101 C109 C38 119.3(12) . . ?
C120 C110 P5 123.5(11) . . ?
C120 C110 C178 118.8(15) . . ?
C178 C110 P5 117.7(12) . . ?
C61 C111 C132 118.6(11) . . ?
C35 C112 C105 118.9(14) . . ?
C142 C113 C39 119.1(13) . . ?
C88 C114 C45 118.7(12) . . ?
C90 C115 C92 115.7(13) . . ?
C62 C116 C153 120.9(14) . . ?
C139 C117 C87 118.7(16) . . ?
C124 C118 C99 119.8(13) . . ?
C20 C119 C146 122.7(14) . . ?
C110 C120 C152 123.3(15) . . ?
C144 C121 C85 121.7(14) . . ?
C76 C122 C64 110.9(10) . . ?
C128 C123 C25 122.3(15) . . ?
F8 C124 C138 121.1(16) . . ?
C118 C124 F8 117.4(15) . . ?
C118 C124 C138 121.4(14) . . ?
C156 C125 C42 118.1(15) . . ?
C25 C126 C157 121.3(18) . . ?
C133 C127 C95 124(2) . . ?
C143 C128 C123 121.6(19) . . ?
C46 C129 C135 122.5(12) . . ?
C62 C130 C169 121.4(12) . . ?
C137 C131 C41 121.0(15) . . ?
F12 C132 C93 119.8(15) . . ?
F12 C132 C111 119.2(13) . . ?
C93 C132 C111 120.9(12) . . ?
C127 C133 C63 118.7(18) . . ?
C84 C134 C186 122.7(14) . . ?
C129 C135 C100 118.2(14) . . ?
C107 C136 C137 119.6(16) . . ?
C131 C137 C136 120.5(17) . . ?
C124 C138 C82 120.4(14) . . ?
C117 C139 F14 123.7(18) . . ?
C117 C139 C149 126.5(17) . . ?
C149 C139 F14 109.7(18) . . ?
C101 C140 C81 119.6(13) . . ?
C148 C141 C85 118.5(15) . . ?
C113 C142 C146 119.9(14) . . ?
C128 C143 F15 123(2) . . ?
C157 C143 F15 117(2) . . ?
C157 C143 C128 120(2) . . ?
C121 C144 C145 118.3(16) . . ?
F13 C145 C144 117.9(18) . . ?
C148 C145 F13 121.3(17) . . ?
C148 C145 C144 120.8(14) . . ?
C142 C146 C119 120.0(15) . . ?
C166 C147 C49 119.6(15) . . ?
C145 C148 C141 121.2(15) . . ?
C139 C149 C103 113.6(17) . . ?
C86 C150 C154 119(2) . . ?
C170 C151 C178 119.4(18) . . ?
C170 C152 C120 117.5(17) . . ?
C155 C153 C116 119.6(15) . . ?
C150 C154 C4 120.1(19) . . ?
C153 C155 C169 121.6(17) . . ?
F16 C156 C166 121.3(17) . . ?
C125 C156 F16 118.7(17) . . ?
C125 C156 C166 119.4(18) . . ?
C143 C157 C126 121(2) . . ?
C12 C158 C191 128.3(19) . . ?
C86 C159 C167 120(2) . . ?
C161 C160 C165 120.0 . . ?
C160 C161 C162 120.0 . . ?
C161 C162 C163 120.0 . . ?
C162 C163 P6 121.9(7) . . ?
C164 C163 P6 118.0(7) . . ?
C164 C163 C162 120.0 . . ?
C163 C164 C165 120.0 . . ?
C164 C165 C160 120.0 . . ?
C147 C166 C156 120.8(17) . . ?
C4 C167 C159 118.6(19) . . ?
C84 C168 C185 118.2(14) . . ?
C155 C169 C130 117.0(15) . . ?
C151 C170 C152 123(2) . . ?
C172 C171 C176 120.0 . . ?
C171 C172 C173 120.0 . . ?
C172 C173 C174 120.0 . . ?
C173 C174 P6 113.7(6) . . ?
C173 C174 C175 120.0 . . ?
C175 C174 P6 126.3(6) . . ?
C176 C175 C174 120.0 . . ?
C175 C176 C171 120.0 . . ?
C47 C177 C203 120(2) . . ?
C110 C178 C151 118.1(17) . . ?
C180 C179 C184 124(3) . . ?
C179 C180 C181 119(3) . . ?
C183 C181 C180 119(3) . . ?
C183 C182 C184 123(3) . . ?
C182 C183 C181 120(3) . . ?
C179 C184 P1 122.8(18) . . ?
C182 C184 P1 121.2(18) . . ?
C182 C184 C179 115(3) . . ?
C187 C185 C168 119.7(17) . . ?
C187 C186 C134 115.6(16) . . ?
F17 C187 C185 118.8(15) . . ?
C186 C187 F17 118.0(15) . . ?
C186 C187 C185 123.2(18) . . ?
F18 C188 C189 113.0(12) . . ?
F18 C188 C191 118.0(12) . . ?
F18 C188 C193 118.3(13) . . ?
F18 C188 C194 120.6(14) . . ?
C189 C188 C194 126.2(16) . . ?
C191 C188 C193 123.3(17) . . ?
C188 C189 C192 111.4(18) . . ?
C193 C190 C12 115.7(19) . . ?
C188 C191 C158 111.7(18) . . ?
C12 C192 C189 129.0(18) . . ?
C190 C193 C188 122(2) . . ?
C195 C194 C188 117(2) . . ?
C194 C195 C12 122(2) . . ?
C197 C196 C201 120.0 . . ?
C196 C197 P4 124.5(14) . . ?
C196 C197 C198 120.0 . . ?
C198 C197 P4 115.1(14) . . ?
C199 C198 C197 120.0 . . ?
C198 C199 C200 120.0 . . ?
C199 C200 C201 120.0 . . ?
C200 C201 C196 120.0 . . ?
C47 C202 C205 122(2) . . ?
C177 C203 C204 117(3) . . ?
C205 C204 C203 120(3) . . ?
C202 C205 C204 119(2) . . ?
C47 C206 C207 124(3) . . ?
C210 C207 C206 119(4) . . ?
C209 C208 C210 113(3) . . ?
C208 C209 C47 124(3) . . ?
C207 C210 C208 126(4) . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 -0.111 -0.365 -0.611 6717.6 3362.3 ?
2 0.174 0.597 0.262 17.7 0.0 ?
3 0.326 0.097 0.238 17.7 0.0 ?
4 0.674 0.903 0.762 17.7 0.0 ?
5 0.826 0.403 0.738 17.7 0.0 ?

