#------------------------------------------------------------------------------
#$Date: 2019-11-25 22:05:22 +0200 (Mon, 25 Nov 2019) $
#$Revision: 241930 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/13/17/4131762.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4131762
loop_
_publ_author_name
'Yang, Huayan'
'Yan, Juanzhu'
'Wang, Yu'
'Deng, Guocheng'
'Su, Haifeng'
'Zhao, Xiaojing'
'Xu, Chaofa'
'Teo, Boon K.'
'Zheng, Nanfeng'
_publ_section_title
;
 From Racemic Metal Nanoparticles to Optically Pure Enantiomers in One
 Pot.
;
_journal_issue                   45
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              16113
_journal_page_last               16116
_journal_paper_doi               10.1021/jacs.7b10448
_journal_volume                  139
_journal_year                    2017
_chemical_absolute_configuration rm
_chemical_formula_moiety         'C468 H348 Ag78 F126 P12 S42'
_chemical_formula_sum            'C468 H348 Ag78 F126 P12 S42'
_chemical_formula_weight         18497.46
_space_group_crystal_system      cubic
_space_group_IT_number           197
_space_group_name_Hall           'I 2 2 3'
_space_group_name_H-M_alt        'I 2 3'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_audit_creation_date             2017-07-24
_audit_creation_method
;
Olex2 1.2
(compiled 2016.02.19 svn.r3266 for OlexSys, GUI svn.r5155)
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   51.7906(4)
_cell_length_b                   51.7906(4)
_cell_length_c                   51.7906(4)
_cell_measurement_reflns_used    27664
_cell_measurement_temperature    119.99(10)
_cell_measurement_theta_max      58.2140
_cell_measurement_theta_min      3.5950
_cell_volume                     138916.2(19)
_computing_cell_refinement       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.41 (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)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      119.99(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.4741
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
--------------------------------------------------------------------------
  1  ω    -45.00  35.00   1.00   12.50    --  -38.29  37.00-180.00   80
  2  ω     15.00  41.00   1.00   12.50    --  -38.29  37.00-120.00   26
  3  ω   -108.00  -7.00   1.00   12.50    --  -38.29 -57.00  30.00  101
  4  ω      8.00 127.00   1.00   45.00    --   92.37 -77.00   0.00  119
  5  ω     52.00  94.00   1.00   45.00    --   92.37 -45.00  60.00   42
  6  ω     95.00 140.00   1.00   45.00    --   92.37 125.00  30.00   45
  7  ω     19.00  49.00   1.00   45.00    --   92.37 -45.00  60.00   30
  8  ω    106.00 171.00   1.00   45.00    --   92.37 125.00  60.00   65
  9  ω     62.00 172.00   1.00   45.00    --   92.37 -15.00 -30.00  110
 10  ω      9.00  35.00   1.00   45.00    --   92.37 -15.00 -30.00   26
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0104264000
_diffrn_orient_matrix_UB_12      0.0157684000
_diffrn_orient_matrix_UB_13      -0.0229801000
_diffrn_orient_matrix_UB_21      0.0265837000
_diffrn_orient_matrix_UB_22      -0.0129887000
_diffrn_orient_matrix_UB_23      0.0031485000
_diffrn_orient_matrix_UB_31      -0.0083380000
_diffrn_orient_matrix_UB_32      -0.0215948000
_diffrn_orient_matrix_UB_33      -0.0186483000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0946
_diffrn_reflns_av_unetI/netI     0.0552
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       58
_diffrn_reflns_limit_h_min       -60
_diffrn_reflns_limit_k_max       41
_diffrn_reflns_limit_k_min       -60
_diffrn_reflns_limit_l_max       52
_diffrn_reflns_limit_l_min       -60
_diffrn_reflns_number            256952
_diffrn_reflns_point_group_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_theta_full        65.854
_diffrn_reflns_theta_max         65.854
_diffrn_reflns_theta_min         3.193
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    19.234
_exptl_absorpt_correction_T_max  0.245
_exptl_absorpt_correction_T_min  0.043
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.41 (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_crystal_colour            black
_exptl_crystal_density_diffrn    1.769
_exptl_crystal_description       block
_exptl_crystal_F_000             70464
_exptl_crystal_size_max          0.338
_exptl_crystal_size_mid          0.091
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.013
_refine_diff_density_min         -0.838
_refine_diff_density_rms         0.083
_refine_ls_abs_structure_details
;
 Flack x determined using 6674 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.017(7)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.914
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1936
_refine_ls_number_reflns         39828
_refine_ls_number_restraints     69
_refine_ls_restrained_S_all      0.918
_refine_ls_R_factor_all          0.0902
_refine_ls_R_factor_gt           0.0615
_refine_ls_shift/su_max          0.169
_refine_ls_shift/su_mean         0.004
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1147P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1749
_refine_ls_wR_factor_ref         0.2142
_reflns_Friedel_coverage         0.922
_reflns_Friedel_fraction_full    0.987
_reflns_Friedel_fraction_max     0.985
_reflns_number_gt                19358
_reflns_number_total             39828
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ja7b10448_si_003.cif
_cod_data_source_block           yjz160606-7-a_2face
_cod_original_cell_volume        138916(3)
_cod_database_code               4131762
_chemical_oxdiff_formula         Ag78(SC6H4CF3)42P13(CH2)3(C6H5)16
_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.
;
_reflns_odcompleteness_completeness 99.67
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     65.57
_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
 C93-C92
 1.5 with sigma of 0.02
 C100-C99
 1.5 with sigma of 0.02
 C114-C113
 1.5 with sigma of 0.02
 C127-C128
 1.5 with sigma of 0.02
 C156-C157
 1.5 with sigma of 0.02
 C29-C30
 1.5 with sigma of 0.02
 C121-C120
 1.5 with sigma of 0.02
 C49-C50
 1.5 with sigma of 0.02
 F14-C86
 1.4 with sigma of 0.02
 F13-C86
 1.4 with sigma of 0.02
 C86-F15
 1.4 with sigma of 0.02
 F33-C50
 1.4 with sigma of 0.02
 C50-F33
 1.4 with sigma of 0.02
 F33-C50
 1.4 with sigma of 0.02
 C50-F31
 1.4 with sigma of 0.02
 F32-C50
 1.4 with sigma of 0.02
 C85-C86
 1.4 with sigma of 0.02
 F7-C121 = F9-C121
 1.4 with sigma of 0.02
 F40-C135 = F42-C135 = F41-C135
 1.4 with sigma of 0.02
 F3-C157 = F2-C157 = F1-C157
 1.4 with sigma of 0.02
 C30-F26
 1.4 with sigma of 0.02
 C23-C22
 1.5 with sigma of 0.02
 F18-C7
 1.3 with sigma of 0.02
 F16-C7 = F17-C7
 1.3 with sigma of 0.02
 C7-C6 = C7-F16 = C7-F17 = C7-F18
 1.3 with sigma of 0.02
 F25-C30
 1.3 with sigma of 0.02
 F27-C30 = F26-C30
 1.3 with sigma of 0.02
 F27-C29
 2.5 with sigma of 0.04
 F26-C29
 2.5 with sigma of 0.04
 C29-F25
 2.5 with sigma of 0.04
 F13-F15
 2.4 with sigma of 0.04
 F13-F14
 2.4 with sigma of 0.04
 F14-F15
 2.4 with sigma of 0.04
 F33-C49
 2.4 with sigma of 0.04
 F31-C49
 2.4 with sigma of 0.04
 C49-F32
 2.4 with sigma of 0.04
 F41-F42
 2.4 with sigma of 0.04
 F42-F40
 2.4 with sigma of 0.04
 F40-F41
 2.4 with sigma of 0.04
 F1-F3
 2.4 with sigma of 0.04
 F1-F2
 2.4 with sigma of 0.04
 F2-F3
 2.4 with sigma of 0.04
 C17-C23
 2.5 with sigma of 0.04
 C23-C21
 2.5 with sigma of 0.04
 F16-F18
 2.4 with sigma of 0.04
 F18-F17
 2.4 with sigma of 0.04
 F17-F16
 2.4 with sigma of 0.04
 F28-F29
 2.4 with sigma of 0.04
 F29-F30
 2.4 with sigma of 0.04
 F30-F28
 2.4 with sigma of 0.04
 F25-F27
 2.4 with sigma of 0.04
 F25-F26
 2.4 with sigma of 0.04
 F26-F27
 2.4 with sigma of 0.04
3. Uiso/Uaniso restraints and constraints
Uanis(C128) \\sim Ueq: with sigma of 0.1 and sigma for terminal atoms of 0.2
: with sigma of 0.1 and sigma for terminal atoms of 0.2
Uanis(C135) = Uanis(C128)
4. Rigid body (RIGU) restrains
 C7
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C18
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C18
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C84
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C21
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
5.a Ternary CH refined with riding coordinates:
 C143(H143), C64(H64), C66(H66), C9(H9)
5.b Secondary CH2 refined with riding coordinates:
 C65(H65A,H65B), C144(H14A,H14B)
5.c Aromatic/amide H refined with riding coordinates:
 C94(H94), C95(H95), C97(H97), C98(H98), C40(H40), C37(H37), C25(H25),
 C27(H27), C28(H28), C24(H24), C112(H112), C108(H108), C109(H109), C111(H111),
 C123(H123), C125(H125), C126(H126), C122(H122), C41(H41), C47(H47), C115(H115),
  C116(H116), C118(H118), C119(H119), C4(H4), C2(H2), C1(H1), C5(H5), C44(H44),
 C132(H132), C133(H133), C129(H129), C130(H130), C105(H105), C81(H81), C83(H83),
  C84(H84), C80(H80), C69(H69), C73(H73), C72(H72), C71(H71), C70(H70),
 C104(H104), C45(H45), C18(H18), C17(H17), C21(H21), C20(H20), C101(H101),
 C38(H38), C102(H102), C12(H12), C13(H13), C14(H14), C15(H15), C16(H16),
 C61(H61), C60(H60), C59(H59), C58(H58), C57(H57), C76(H76), C77(H77), C78(H78),
  C79(H79), C74(H74), C33(H33), C32(H32), C31(H31), C36(H36), C35(H35),
 C48(H48), C154(H154), C55(H55), C56(H56), C51(H51), C52(H52), C53(H53),
 C91(H91), C90(H90), C88(H88), C87(H87), C147(H147), C148(H148), C149(H149),
 C150(H150), C145(H145), C140(H140), C136(H136), C137(H137), C138(H138),
 C139(H139), C152(H152), C151(H151), C155(H155)
5.d Fitted hexagon refined as free rotating group:
 C99(C94,C95,C96,C97,C98), C25(C26,C27,C28,C29,C24), C112(C113,C108,C109,C110,
 C111), C123(C124,C125,C126,C127,C122), C115(C116,C117,C118,C119,C120), C4(C3,
 C2,C1,C6,C5), C131(C132,C133,C134,C129,C130), C81(C82,C83,C84,C85,C80),
 C69(C68,C73,C72,C71,C70), C19(C18,C17,C22,C21,C20), C11(C12,C13,C14,C15,C16),
 C62(C61,C60,C59,C58,C57), C75(C76,C77,C78,C79,C74), C34(C33,C32,C31,C36,C35),
 C54(C55,C56,C51,C52,C53), C91(C90,C89,C88,C87,C92), C146(C147,C148,C149,C150,
 C145), C140(C141,C136,C137,C138,C139)
5.e Idealised Me refined as rotating group:
 C67(H67A,H67B,H67C), C63(H63A,H63B,H63C), C8(H8A,H8B,H8C), C142(H14C,H14D,H14E)
;
_shelx_shelxl_version_number     2014/7
_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
- Detector area scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.694
_oxdiff_exptl_absorpt_empirical_full_min 0.613
_platon_squeeze_void_probe_radius 1.20
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'-x, y, -z'
'x, -y, -z'
'z, x, y'
'z, -x, -y'
'-z, -x, y'
'-z, x, -y'
'y, z, x'
'-y, z, -x'
'y, -z, -x'
'-y, -z, x'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, -y+1/2, z+1/2'
'-x+1/2, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z+1/2'
'z+1/2, x+1/2, y+1/2'
'z+1/2, -x+1/2, -y+1/2'
'-z+1/2, -x+1/2, y+1/2'
'-z+1/2, x+1/2, -y+1/2'
'y+1/2, z+1/2, x+1/2'
'-y+1/2, z+1/2, -x+1/2'
'y+1/2, -z+1/2, -x+1/2'
'-y+1/2, -z+1/2, x+1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
Ag13 Ag 0.33809(2) 0.26158(2) 0.23525(2) 0.1273(2) Uani 1 1 d . . .
Ag12 Ag 0.32170(2) 0.28080(2) 0.28485(2) 0.12499(19) Uani 1 1 d . . .
Ag11 Ag 0.32056(2) 0.31189(2) 0.24114(2) 0.1266(2) Uani 1 1 d . . .
Ag2 Ag 0.26844(2) 0.30919(2) 0.23005(2) 0.12612(19) Uani 1 1 d . . .
Ag22 Ag 0.27950(2) 0.19966(2) 0.30174(2) 0.1305(2) Uani 1 1 d . . .
Ag15 Ag 0.36978(2) 0.29542(2) 0.26213(2) 0.1376(2) Uani 1 1 d . . .
Ag20 Ag 0.29914(2) 0.19606(2) 0.35176(2) 0.1343(2) Uani 1 1 d . . .
Ag9 Ag 0.34163(2) 0.24420(2) 0.18463(2) 0.1356(2) Uani 1 1 d . . .
Ag1 Ag 0.21654(2) 0.29744(2) 0.22874(2) 0.1315(2) Uani 1 1 d . . .
Ag4 Ag 0.21713(2) 0.25289(2) 0.25870(2) 0.1353(2) Uani 1 1 d . . .
Ag23 Ag 0.29818(2) 0.17874(2) 0.25448(2) 0.1424(2) Uani 1 1 d . . .
Ag16 Ag 0.36057(2) 0.24089(2) 0.28158(2) 0.1360(2) Uani 1 1 d . . .
Ag3 Ag 0.26931(2) 0.26931(2) 0.26931(2) 0.1291(3) Uani 1 3 d S T P
Ag14 Ag 0.38941(2) 0.26012(2) 0.21188(2) 0.1449(2) Uani 1 1 d . . .
Ag21 Ag 0.33548(2) 0.19444(2) 0.30570(2) 0.1434(2) Uani 1 1 d . . .
Ag24 Ag 0.34528(2) 0.20626(2) 0.22993(2) 0.1455(2) Uani 1 1 d . . .
Ag19 Ag 0.34652(2) 0.22717(2) 0.36323(2) 0.1428(2) Uani 1 1 d . . .
Ag25 Ag 0.28306(2) 0.14685(2) 0.32280(2) 0.1491(3) Uani 1 1 d . . .
Ag8 Ag 0.31334(2) 0.19589(2) 0.17403(2) 0.1497(3) Uani 1 1 d . . .
Ag5 Ag 0.21598(2) 0.21598(2) 0.21598(2) 0.1682(4) Uani 1 3 d S T P
Ag28 Ag 0.42151(2) 0.34285(2) 0.23070(2) 0.1666(3) Uani 1 1 d . . .
Ag29 Ag 0.24718(2) 0.11979(2) 0.38775(2) 0.1819(4) Uani 1 1 d . . .
Ag7 Ag 0.27659(2) 0.24427(2) 0.16778(2) 0.1674(3) Uani 1 1 d . . .
Ag27 Ag 0.41352(2) 0.30162(2) 0.14835(2) 0.1710(3) Uani 1 1 d . . .
Ag18 Ag 0.34105(2) 0.27968(2) 0.34457(2) 0.1698(3) Uani 1 1 d . . .
Ag17 Ag 0.32317(2) 0.32317(2) 0.32317(2) 0.1658(4) Uani 1 3 d S T P
Ag26 Ag 0.31057(2) 0.19725(2) 0.11737(2) 0.1776(4) Uani 1 1 d . . .
Ag6 Ag 0.26093(2) 0.19606(3) 0.19464(2) 0.2243(4) Uani 1 1 d . . .
S5 S 0.37375(5) 0.21823(5) 0.32336(5) 0.1461(9) Uani 1 1 d . . .
S3 S 0.35681(5) 0.26774(5) 0.38940(5) 0.1455(9) Uani 1 1 d . . .
S2 S 0.33026(5) 0.18743(5) 0.38886(5) 0.1454(9) Uani 1 1 d . . .
S14 S 0.32221(6) 0.16684(5) 0.21348(5) 0.1490(9) Uani 1 1 d . . .
S9 S 0.40853(5) 0.25632(6) 0.16762(5) 0.1478(9) Uani 1 1 d . . .
S8 S 0.41273(4) 0.29504(5) 0.24100(5) 0.1407(8) Uani 1 1 d . . .
S6 S 0.32240(6) 0.15094(5) 0.29256(5) 0.1543(9) Uani 1 1 d . . .
S10 S 0.35208(5) 0.21420(6) 0.14698(5) 0.1518(9) Uani 1 1 d . . .
S1 S 0.29131(6) 0.12882(5) 0.36734(5) 0.1518(10) Uani 1 1 d . . .
P1 P 0.45811(5) 0.36970(6) 0.22196(7) 0.1657(12) Uani 1 1 d . . .
S4 S 0.37112(5) 0.30273(5) 0.31462(5) 0.1439(8) Uani 1 1 d . . .
S12 S 0.27322(6) 0.18092(7) 0.14812(6) 0.1761(12) Uani 1 1 d . . .
S11 S 0.29701(6) 0.24495(7) 0.12335(6) 0.1668(11) Uani 1 1 d . . .
S7 S 0.38846(5) 0.22049(5) 0.24219(5) 0.1503(9) Uani 1 1 d . . .
P3 P 0.32132(9) 0.17070(7) 0.07980(6) 0.1865(14) Uani 1 1 d . . .
S13 S 0.23554(8) 0.16793(6) 0.22357(6) 0.1857(12) Uani 1 1 d . . .
P2 P 0.45371(7) 0.31903(11) 0.12959(8) 0.223(2) Uani 1 1 d . . .
P4 P 0.23364(11) 0.07788(7) 0.40455(8) 0.2156(19) Uani 1 1 d . . .
C99 C 0.38858(11) 0.09373(11) 0.29557(9) 0.301(9) Uani 1 1 d D . .
C94 C 0.36347(11) 0.08464(12) 0.29822(12) 0.202(5) Uani 1 1 d G . .
H94 H 0.3604 0.0670 0.3000 0.242 Uiso 1 1 calc R . .
C95 C 0.34289(11) 0.10186(16) 0.29818(16) 0.176(5) Uani 1 1 d G . .
H95 H 0.3261 0.0958 0.3000 0.211 Uiso 1 1 calc R . .
C96 C 0.34742(14) 0.12818(15) 0.29550(18) 0.159(4) Uani 1 1 d G . .
C97 C 0.37253(16) 0.13727(11) 0.29285(17) 0.218(7) Uani 1 1 d G . .
H97 H 0.3756 0.1549 0.2911 0.262 Uiso 1 1 calc R . .
C98 C 0.39311(13) 0.12005(11) 0.29289(13) 0.239(7) Uani 1 1 d G . .
H98 H 0.4099 0.1261 0.2911 0.287 Uiso 1 1 calc R . .
C40 C 0.3918(2) 0.18826(19) 0.17200(17) 0.154(4) Uani 1 1 d . . .
H40 H 0.3917 0.2009 0.1847 0.185 Uiso 1 1 calc R . .
C103 C 0.40271(19) 0.20113(18) 0.32819(16) 0.140(3) Uani 1 1 d . . .
C37 C 0.3948(2) 0.1488(2) 0.1389(2) 0.186(4) Uani 1 1 d . . .
H37 H 0.3948 0.1348 0.1277 0.223 Uiso 1 1 calc R . .
C25 C 0.28702(14) 0.13284(11) 0.16265(11) 0.235(8) Uani 1 1 d . . .
H25 H 0.2973 0.1402 0.1754 0.282 Uiso 1 1 calc R . .
C26 C 0.27132(16) 0.14842(13) 0.14745(13) 0.210(6) Uani 1 1 d G . .
C27 C 0.25590(17) 0.1374(2) 0.12843(15) 0.205(6) Uani 1 1 d G . .
H27 H 0.2454 0.1479 0.1183 0.247 Uiso 1 1 calc R . .
C28 C 0.2562(2) 0.1109(2) 0.12461(16) 0.238(8) Uani 1 1 d G . .
H28 H 0.2459 0.1035 0.1119 0.286 Uiso 1 1 calc R . .
C29 C 0.2719(2) 0.09529(14) 0.13980(18) 0.276(10) Uani 1 1 d DG . .
C24 C 0.28730(18) 0.10628(11) 0.15883(15) 0.320(8) Uani 1 1 d G . .
H24 H 0.2978 0.0959 0.1690 0.385 Uiso 1 1 calc R . .
C112 C 0.39738(9) 0.14812(10) 0.39560(10) 0.208(5) Uani 1 1 d . . .
H112 H 0.4115 0.1477 0.4067 0.250 Uiso 1 1 calc R . .
C113 C 0.39585(11) 0.13084(12) 0.37512(12) 0.186(5) Uani 1 1 d DG . .
C108 C 0.37476(13) 0.13152(17) 0.35853(13) 0.194(5) Uani 1 1 d G . .
H108 H 0.3737 0.1200 0.3448 0.233 Uiso 1 1 calc R . .
C109 C 0.35520(12) 0.14948(18) 0.36242(14) 0.165(4) Uani 1 1 d G . .
H109 H 0.3411 0.1499 0.3513 0.198 Uiso 1 1 calc R . .
C110 C 0.35673(11) 0.16676(15) 0.38290(15) 0.144(3) Uani 1 1 d G . .
C111 C 0.37782(10) 0.16609(11) 0.39948(12) 0.208(5) Uani 1 1 d G . .
H111 H 0.3788 0.1777 0.4132 0.250 Uiso 1 1 calc R . .
C123 C 0.40668(11) 0.26599(12) 0.36862(13) 0.205(5) Uani 1 1 d . . .
H123 H 0.3996 0.2576 0.3544 0.246 Uiso 1 1 calc R . .
C124 C 0.39086(12) 0.27360(16) 0.38892(15) 0.179(5) Uani 1 1 d G . .
C125 C 0.40140(19) 0.28615(19) 0.41017(15) 0.184(5) Uani 1 1 d G . .
H125 H 0.3908 0.2912 0.4238 0.221 Uiso 1 1 calc R . .
C126 C 0.4278(2) 0.2911(2) 0.41112(18) 0.297(9) Uani 1 1 d G . .
H126 H 0.4348 0.2995 0.4253 0.357 Uiso 1 1 calc R . .
C127 C 0.44358(14) 0.2835(2) 0.39082(19) 0.346(15) Uani 1 1 d DG . .
C122 C 0.43304(11) 0.27093(18) 0.36957(16) 0.286(11) Uani 1 1 d G . .
H122 H 0.4436 0.2658 0.3560 0.343 Uiso 1 1 calc R . .
C41 C 0.4099(2) 0.1702(2) 0.1747(2) 0.195(5) Uani 1 1 d . . .
H41 H 0.4218 0.1714 0.1882 0.234 Uiso 1 1 calc R . .
C47 C 0.3402(4) 0.1210(3) 0.2320(2) 0.234(8) Uani 1 1 d . . .
H47 H 0.3331 0.1254 0.2479 0.281 Uiso 1 1 calc R . .
C115 C 0.47988(10) 0.26814(11) 0.27195(10) 0.243(8) Uani 1 1 d . . .
H115 H 0.4975 0.2693 0.2688 0.292 Uiso 1 1 calc R . .
C116 C 0.46258(11) 0.28144(15) 0.25632(13) 0.326(9) Uani 1 1 d G . .
H116 H 0.4687 0.2915 0.2427 0.391 Uiso 1 1 calc R . .
C117 C 0.43621(11) 0.27972(17) 0.26100(16) 0.166(4) Uani 1 1 d G . .
C118 C 0.42713(10) 0.26470(18) 0.28130(16) 0.171(4) Uani 1 1 d G . .
H118 H 0.4095 0.2635 0.2844 0.205 Uiso 1 1 calc R . .
C119 C 0.44443(12) 0.25140(19) 0.29693(16) 0.196(6) Uani 1 1 d G . .
H119 H 0.4384 0.2413 0.3105 0.236 Uiso 1 1 calc R . .
C120 C 0.47080(12) 0.25312(16) 0.29225(13) 0.281(9) Uani 1 1 d DG . .
C4 C 0.26674(10) 0.23697(17) 0.08170(11) 0.211(6) Uani 1 1 d . . .
H4 H 0.2764 0.2220 0.0798 0.253 Uiso 1 1 calc R . .
C3 C 0.27213(14) 0.25396(18) 0.10176(12) 0.213(7) Uani 1 1 d G . .
C2 C 0.2577(2) 0.27638(19) 0.10461(17) 0.300(8) Uani 1 1 d G . .
H2 H 0.2613 0.2878 0.1180 0.359 Uiso 1 1 calc R . .
C1 C 0.2378(2) 0.2818(2) 0.0874(2) 0.421(11) Uani 1 1 d G . .
H1 H 0.2281 0.2968 0.0893 0.505 Uiso 1 1 calc R . .
C6 C 0.23240(16) 0.2648(2) 0.06734(19) 0.378(9) Uani 1 1 d DG . .
C5 C 0.24687(13) 0.2424(2) 0.06449(13) 0.255(9) Uani 1 1 d G . .
H5 H 0.2433 0.2310 0.0511 0.306 Uiso 1 1 calc R . .
C44 C 0.3690(4) 0.1113(2) 0.1839(2) 0.251(8) Uani 1 1 d . . .
H44 H 0.3795 0.1086 0.1696 0.302 Uiso 1 1 calc R . .
C131 C 0.30568(14) 0.09857(10) 0.36213(10) 0.232(8) Uani 1 1 d . . .
C132 C 0.29390(17) 0.08211(12) 0.34451(13) 0.193(5) Uani 1 1 d G . .
H132 H 0.2787 0.0871 0.3363 0.231 Uiso 1 1 calc R . .
C133 C 0.3048(2) 0.05816(12) 0.33917(16) 0.248(9) Uani 1 1 d G . .
H133 H 0.2969 0.0471 0.3274 0.298 Uiso 1 1 calc R . .
C134 C 0.3274(2) 0.05068(13) 0.3514(2) 0.234(7) Uani 1 1 d G . .
C129 C 0.33923(19) 0.06714(17) 0.3691(2) 0.226(6) Uani 1 1 d G . .
H129 H 0.3544 0.0621 0.3773 0.272 Uiso 1 1 calc R . .
C130 C 0.32835(15) 0.09109(14) 0.37440(14) 0.180(5) Uani 1 1 d G . .
H130 H 0.3362 0.1021 0.3862 0.216 Uiso 1 1 calc R . .
C46 C 0.3393(2) 0.13806(18) 0.2097(2) 0.177(4) Uani 1 1 d . . .
C39 C 0.3740(2) 0.19095(19) 0.1540(2) 0.173(4) Uani 1 1 d . . .
C105 C 0.4359(2) 0.1841(3) 0.3547(2) 0.183(5) Uani 1 1 d . . .
H105 H 0.4419 0.1797 0.3711 0.219 Uiso 1 1 calc R . .
C81 C 0.45047(10) 0.22359(13) 0.16793(11) 0.175(5) Uani 1 1 d . . .
H81 H 0.4401 0.2125 0.1584 0.210 Uiso 1 1 calc R . .
C82 C 0.44063(12) 0.24696(14) 0.17671(15) 0.165(4) Uani 1 1 d G . .
C83 C 0.45618(18) 0.26358(17) 0.1909(2) 0.247(6) Uani 1 1 d G . .
H83 H 0.4496 0.2792 0.1968 0.297 Uiso 1 1 calc R . .
C84 C 0.48158(17) 0.2568(2) 0.1964(2) 0.477(11) Uani 1 1 d G U .
H84 H 0.4920 0.2679 0.2059 0.573 Uiso 1 1 calc R . .
C85 C 0.49142(12) 0.2334(2) 0.1876(2) 0.354(14) Uani 1 1 d DG . .
C80 C 0.47587(10) 0.21683(16) 0.17337(15) 0.302(8) Uani 1 1 d G . .
H80 H 0.4825 0.2012 0.1675 0.363 Uiso 1 1 calc R . .
C69 C 0.46422(14) 0.41351(11) 0.18745(16) 0.366(8) Uani 1 1 d . . .
H69 H 0.4784 0.4055 0.1798 0.439 Uiso 1 1 calc R . .
C68 C 0.45153(16) 0.40163(14) 0.20790(17) 0.195(6) Uani 1 1 d G . .
C73 C 0.43034(18) 0.4135(2) 0.2193(2) 0.215(6) Uani 1 1 d G . .
H73 H 0.4219 0.4056 0.2330 0.258 Uiso 1 1 calc R . .
C72 C 0.42185(18) 0.4373(2) 0.2102(2) 0.307(10) Uani 1 1 d G . .
H72 H 0.4077 0.4453 0.2178 0.368 Uiso 1 1 calc R . .
C71 C 0.43454(19) 0.44921(15) 0.1898(2) 0.296(10) Uani 1 1 d G . .
H71 H 0.4289 0.4651 0.1837 0.355 Uiso 1 1 calc R . .
C70 C 0.45573(17) 0.43730(13) 0.17839(19) 0.389(11) Uani 1 1 d G . .
H70 H 0.4642 0.4452 0.1647 0.467 Uiso 1 1 calc R . .
C104 C 0.41326(17) 0.1986(2) 0.35186(18) 0.159(3) Uani 1 1 d . . .
H104 H 0.4056 0.2064 0.3661 0.190 Uiso 1 1 calc R . .
C45 C 0.3527(3) 0.13358(19) 0.1866(3) 0.223(5) Uani 1 1 d . . .
H45 H 0.3511 0.1452 0.1730 0.267 Uiso 1 1 calc R . .
C42 C 0.4113(3) 0.1495(3) 0.1576(3) 0.233(6) Uani 1 1 d . . .
C19 C 0.21661(15) 0.14659(15) 0.20621(16) 0.193(5) Uani 1 1 d . . .
C18 C 0.2147(2) 0.12118(16) 0.2146(2) 0.316(11) Uiso 1 1 d G U .
H18 H 0.2223 0.1163 0.2301 0.379 Uiso 1 1 calc R . .
C17 C 0.2014(4) 0.10313(19) 0.1999(3) 0.51(3) Uiso 1 1 d DG U .
H17 H 0.2001 0.0861 0.2055 0.617 Uiso 1 1 calc R . .
C22 C 0.1900(4) 0.1105(3) 0.1767(3) 0.580(16) Uani 1 1 d DG . .
C21 C 0.1919(4) 0.1359(3) 0.1683(3) 0.641(18) Uani 1 1 d DG U .
H21 H 0.1843 0.1408 0.1528 0.769 Uiso 1 1 calc R . .
C20 C 0.2052(3) 0.1539(2) 0.1830(2) 0.51(2) Uiso 1 1 d G . .
H20 H 0.2065 0.1709 0.1774 0.617 Uiso 1 1 calc R . .
C101 C 0.4367(3) 0.1773(3) 0.3073(3) 0.203(6) Uani 1 1 d . . .
H101 H 0.4436 0.1689 0.2930 0.244 Uiso 1 1 calc R . .
C38 C 0.3758(2) 0.1699(2) 0.1350(2) 0.180(5) Uani 1 1 d . . .
H38 H 0.3651 0.1698 0.1206 0.216 Uiso 1 1 calc R . .
C102 C 0.41578(19) 0.1908(3) 0.3064(2) 0.216(5) Uani 1 1 d . . .
H102 H 0.4087 0.1940 0.2902 0.259 Uiso 1 1 calc R . .
C11 C 0.29387(16) 0.15951(12) 0.06138(10) 0.198(5) Uani 1 1 d . . .
C12 C 0.29615(19) 0.14204(16) 0.04113(13) 0.240(8) Uani 1 1 d G . .
H12 H 0.3124 0.1374 0.0351 0.288 Uiso 1 1 calc R . .
C13 C 0.2741(2) 0.1316(2) 0.02989(18) 0.460(11) Uani 1 1 d G . .
H13 H 0.2757 0.1199 0.0163 0.552 Uiso 1 1 calc R . .
C14 C 0.2498(2) 0.1386(2) 0.0389(2) 0.234(7) Uani 1 1 d G . .
H14 H 0.2351 0.1316 0.0314 0.281 Uiso 1 1 calc R . .
C15 C 0.24757(16) 0.1561(2) 0.05915(19) 0.326(12) Uani 1 1 d G . .
H15 H 0.2313 0.1608 0.0652 0.391 Uiso 1 1 calc R . .
C16 C 0.26958(16) 0.16652(17) 0.07039(13) 0.193(5) Uani 1 1 d G . .
H16 H 0.2681 0.1782 0.0839 0.231 Uiso 1 1 calc R . .
C62 C 0.45117(15) 0.3406(3) 0.10486(18) 0.471(13) Uani 1 1 d . . .
C61 C 0.4493(2) 0.3660(3) 0.1132(2) 0.413(14) Uani 1 1 d G . .
H61 H 0.4521 0.3700 0.1305 0.496 Uiso 1 1 calc R . .
C60 C 0.4433(3) 0.3855(3) 0.0957(3) 0.86(3) Uani 1 1 d G . .
H60 H 0.4421 0.4025 0.1013 1.030 Uiso 1 1 calc R . .
C59 C 0.4391(3) 0.3795(4) 0.0699(3) 0.385(11) Uani 1 1 d G . .
H59 H 0.4351 0.3925 0.0582 0.462 Uiso 1 1 calc R . .
C58 C 0.4410(3) 0.3540(4) 0.0615(2) 0.440(19) Uani 1 1 d G . .
H58 H 0.4382 0.3500 0.0443 0.527 Uiso 1 1 calc R . .
C57 C 0.4470(2) 0.3346(3) 0.07903(19) 0.73(3) Uani 1 1 d G . .
H57 H 0.4482 0.3176 0.0735 0.874 Uiso 1 1 calc R . .
C143 C 0.2224(3) 0.0565(3) 0.3808(2) 0.213(7) Uani 1 1 d . . .
H143 H 0.2366 0.0529 0.3688 0.256 Uiso 1 1 calc R . .
F10 F 0.49323(15) 0.1698(3) 0.3238(3) 0.369(8) Uani 1 1 d . . .
C65 C 0.46372(17) 0.3456(2) 0.1756(2) 0.155(4) Uani 1 1 d . . .
H65A H 0.4592 0.3615 0.1667 0.186 Uiso 1 1 calc R . .
H65B H 0.4477 0.3376 0.1810 0.186 Uiso 1 1 calc R . .
C75 C 0.47772(11) 0.37709(14) 0.24882(15) 0.200(6) Uani 1 1 d . . .
C76 C 0.49542(16) 0.39725(16) 0.2498(2) 0.262(7) Uani 1 1 d G . .
H76 H 0.4972 0.4084 0.2358 0.315 Uiso 1 1 calc R . .
C77 C 0.51052(19) 0.4008(2) 0.2717(2) 0.373(14) Uani 1 1 d G . .
H77 H 0.5224 0.4143 0.2724 0.447 Uiso 1 1 calc R . .
C78 C 0.5079(2) 0.3842(3) 0.29262(19) 0.291(11) Uani 1 1 d G . .
H78 H 0.5180 0.3865 0.3073 0.350 Uiso 1 1 calc R . .
C79 C 0.4902(2) 0.3640(3) 0.29164(17) 0.321(10) Uani 1 1 d G . .
H79 H 0.4885 0.3529 0.3056 0.385 Uiso 1 1 calc R . .
C74 C 0.47513(16) 0.36048(18) 0.26974(18) 0.246(8) Uani 1 1 d G . .
H74 H 0.4633 0.3470 0.2691 0.295 Uiso 1 1 calc R . .
C34 C 0.34123(17) 0.14156(15) 0.08510(14) 0.267(8) Uani 1 1 d . . .
C33 C 0.36225(19) 0.13254(19) 0.07105(19) 0.319(8) Uani 1 1 d G . .
H33 H 0.3688 0.1422 0.0574 0.382 Uiso 1 1 calc R . .
C32 C 0.3736(2) 0.1090(2) 0.0774(3) 0.419(10) Uani 1 1 d G . .
H32 H 0.3876 0.1030 0.0680 0.503 Uiso 1 1 calc R . .
C31 C 0.3638(3) 0.09456(18) 0.0978(3) 0.452(11) Uani 1 1 d G . .
H31 H 0.3714 0.0788 0.1021 0.543 Uiso 1 1 calc R . .
C36 C 0.3428(3) 0.10358(18) 0.1119(2) 0.297(8) Uani 1 1 d G . .
H36 H 0.3363 0.0939 0.1255 0.357 Uiso 1 1 calc R . .
C35 C 0.3315(2) 0.12707(18) 0.10550(17) 0.299(9) Uani 1 1 d G . .
H35 H 0.3175 0.1331 0.1149 0.359 Uiso 1 1 calc R . .
C64 C 0.4765(3) 0.3278(4) 0.1560(3) 0.243(8) Uani 1 1 d . . .
H64 H 0.4817 0.3119 0.1649 0.292 Uiso 1 1 calc R . .
C106 C 0.4487(2) 0.1765(3) 0.3338(3) 0.208(6) Uani 1 1 d . . .
C66 C 0.47779(18) 0.3525(2) 0.1984(3) 0.181(5) Uani 1 1 d . . .
H66 H 0.4907 0.3650 0.1927 0.217 Uiso 1 1 calc R . .
C67 C 0.4926(3) 0.3320(2) 0.2115(2) 0.200(5) Uani 1 1 d . . .
H67A H 0.5086 0.3390 0.2178 0.300 Uiso 1 1 calc GR . .
H67B H 0.4960 0.3183 0.1996 0.300 Uiso 1 1 calc GR . .
H67C H 0.4827 0.3255 0.2258 0.300 Uiso 1 1 calc GR . .
C48 C 0.3528(4) 0.0975(3) 0.2274(3) 0.486(7) Uani 1 1 d . . .
H48 H 0.3521 0.0839 0.2391 0.583 Uiso 1 1 calc R . .
F32 F 0.38504(19) 0.06109(13) 0.17773(16) 0.284(5) Uani 1 1 d D . .
F21 F 0.4322(2) 0.1170(2) 0.1799(2) 0.286(5) Uani 1 1 d . . .
F39 F 0.4061(2) 0.08770(18) 0.3749(2) 0.291(5) Uani 1 1 d . . .
C153 C 0.3931(2) 0.3213(2) 0.3340(2) 0.177(4) Uani 1 1 d . . .
F19 F 0.45527(18) 0.1384(2) 0.1614(3) 0.350(7) Uani 1 1 d . . .
F37 F 0.43427(19) 0.1119(2) 0.3875(2) 0.289(5) Uani 1 1 d . . .
F34 F 0.4336(2) 0.0875(2) 0.2987(3) 0.320(6) Uani 1 1 d . . .
C154 C 0.3886(3) 0.3306(2) 0.3565(2) 0.191(4) Uani 1 1 d . . .
H154 H 0.3724 0.3279 0.3638 0.229 Uiso 1 1 calc R . .
F13 F 0.53699(16) 0.25240(18) 0.1857(3) 0.345(8) Uani 1 1 d D . .
F38 F 0.4286(2) 0.1099(2) 0.3464(3) 0.332(6) Uani 1 1 d . . .
F20 F 0.4304(2) 0.1149(2) 0.1437(2) 0.353(6) Uani 1 1 d . . .
F14 F 0.52845(18) 0.21084(19) 0.1727(3) 0.491(15) Uani 1 1 d D . .
C63 C 0.5011(2) 0.3402(3) 0.1439(3) 0.306(8) Uani 1 1 d . . .
H63A H 0.5078 0.3291 0.1307 0.459 Uiso 1 1 calc GR . .
H63B H 0.5140 0.3425 0.1571 0.459 Uiso 1 1 calc GR . .
H63C H 0.4968 0.3567 0.1366 0.459 Uiso 1 1 calc GR . .
C49 C 0.3677(2) 0.09556(15) 0.2024(3) 0.196(5) Uani 1 1 d D . .
F36 F 0.4052(2) 0.0556(2) 0.3112(3) 0.353(7) Uani 1 1 d . . .
C54 C 0.47325(13) 0.29773(19) 0.11170(12) 0.289(9) Uani 1 1 d . . .
C55 C 0.47259(18) 0.2733(2) 0.12282(17) 0.275(7) Uani 1 1 d G . .
H55 H 0.4619 0.2701 0.1369 0.330 Uiso 1 1 calc R . .
C56 C 0.4879(2) 0.2536(2) 0.1129(3) 0.416(14) Uani 1 1 d G . .
H56 H 0.4875 0.2373 0.1203 0.500 Uiso 1 1 calc R . .
C51 C 0.5039(2) 0.2584(3) 0.0919(3) 0.314(8) Uani 1 1 d G . .
H51 H 0.5141 0.2452 0.0852 0.376 Uiso 1 1 calc R . .
C52 C 0.50454(19) 0.2828(3) 0.08074(19) 0.325(9) Uani 1 1 d G . .
H52 H 0.5152 0.2859 0.0667 0.390 Uiso 1 1 calc R . .
C53 C 0.48923(16) 0.3025(2) 0.09066(14) 0.66(4) Uani 1 1 d G . .
H53 H 0.4897 0.3188 0.0832 0.797 Uiso 1 1 calc R . .
C91 C 0.45804(11) 0.18526(12) 0.23936(8) 0.279(6) Uani 1 1 d . . .
H91 H 0.4753 0.1902 0.2389 0.335 Uiso 1 1 calc R . .
C90 C 0.43876(13) 0.20390(12) 0.23835(13) 0.220(4) Uani 1 1 d G . .
H90 H 0.4431 0.2213 0.2372 0.264 Uiso 1 1 calc R . .
C89 C 0.41295(12) 0.19658(16) 0.23902(15) 0.177(4) Uani 1 1 d G . .
C88 C 0.40642(12) 0.17060(17) 0.24070(16) 0.203(4) Uani 1 1 d G . .
H88 H 0.3891 0.1657 0.2411 0.244 Uiso 1 1 calc R . .
C87 C 0.42569(14) 0.15195(14) 0.24171(19) 0.252(9) Uani 1 1 d G . .
H87 H 0.4213 0.1346 0.2428 0.302 Uiso 1 1 calc R . .
C92 C 0.45150(13) 0.15928(11) 0.24103(15) 0.293(6) Uani 1 1 d DG . .
F31 F 0.40157(17) 0.06615(17) 0.2150(2) 0.299(5) Uani 1 1 d D . .
C9 C 0.3419(3) 0.1905(3) 0.0575(2) 0.182(5) Uani 1 1 d . . .
H9 H 0.3467 0.1802 0.0424 0.218 Uiso 1 1 calc R . .
C146 C 0.21323(19) 0.08017(18) 0.43253(16) 0.379(9) Uani 1 1 d . . .
C147 C 0.2005(2) 0.10314(19) 0.4381(3) 0.247(9) Uani 1 1 d G . .
H147 H 0.2054 0.1183 0.4298 0.296 Uiso 1 1 calc R . .
C148 C 0.1805(3) 0.1034(3) 0.4560(3) 0.458(11) Uani 1 1 d G . .
H148 H 0.1720 0.1188 0.4597 0.549 Uiso 1 1 calc R . .
C149 C 0.1732(3) 0.0807(4) 0.4683(3) 0.487(10) Uani 1 1 d G . .
H149 H 0.1598 0.0809 0.4803 0.585 Uiso 1 1 calc R . .
C150 C 0.1860(3) 0.0578(3) 0.4628(3) 1.42(4) Uani 1 1 d G . .
H150 H 0.1811 0.0426 0.4711 1.700 Uiso 1 1 calc R . .
C145 C 0.2060(3) 0.0575(2) 0.4449(3) 0.428(15) Uani 1 1 d G . .
H145 H 0.2145 0.0421 0.4412 0.514 Uiso 1 1 calc R . .
C140 C 0.26486(15) 0.05527(12) 0.44288(17) 0.394(11) Uani 1 1 d . . .
H140 H 0.2553 0.0652 0.4544 0.472 Uiso 1 1 calc R . .
C141 C 0.26149(19) 0.05854(17) 0.41646(17) 0.256(8) Uani 1 1 d G . .
C136 C 0.2757(3) 0.0437(2) 0.39918(18) 0.244(8) Uani 1 1 d G . .
H136 H 0.2735 0.0459 0.3815 0.293 Uiso 1 1 calc R . .
C137 C 0.2934(2) 0.0257(2) 0.4083(3) 0.356(13) Uani 1 1 d G . .
H137 H 0.3029 0.0158 0.3968 0.427 Uiso 1 1 calc R . .
C138 C 0.2967(2) 0.02242(18) 0.4348(3) 0.348(12) Uani 1 1 d G . .
H138 H 0.3085 0.0103 0.4409 0.418 Uiso 1 1 calc R . .
C139 C 0.28249(18) 0.03722(15) 0.4520(2) 0.291(8) Uani 1 1 d G . .
H139 H 0.2847 0.0350 0.4697 0.349 Uiso 1 1 calc R . .
F35 F 0.4131(2) 0.0652(2) 0.2742(3) 0.358(6) Uani 1 1 d . . .
F24 F 0.46980(18) 0.1259(2) 0.2618(2) 0.342(5) Uani 1 1 d . . .
F41 F 0.3191(2) 0.00585(17) 0.3380(2) 0.397(9) Uani 1 1 d D . .
F23 F 0.47451(18) 0.12558(19) 0.2221(2) 0.290(5) Uani 1 1 d . . .
F42 F 0.3480(3) 0.01343(19) 0.37193(16) 0.340(7) Uani 1 1 d D . .
F40 F 0.36015(18) 0.0260(2) 0.3316(2) 0.392(10) Uani 1 1 d D . .
C135 C 0.33907(19) 0.0213(3) 0.34764(17) 0.304(8) Uani 1 1 d D . .
C152 C 0.4185(2) 0.3265(2) 0.3215(3) 0.176(5) Uani 1 1 d . . .
H152 H 0.4239 0.3204 0.3056 0.211 Uiso 1 1 calc R . .
F27 F 0.2887(2) 0.05242(15) 0.1412(2) 0.514(15) Uani 1 1 d D . .
C156 C 0.4293(2) 0.3510(2) 0.3620(3) 0.229(7) Uani 1 1 d D . .
C144 C 0.1981(2) 0.07075(19) 0.3641(2) 0.190(5) Uani 1 1 d . . .
H14A H 0.1833 0.0726 0.3754 0.228 Uiso 1 1 calc R . .
H14B H 0.2036 0.0880 0.3591 0.228 Uiso 1 1 calc R . .
F26 F 0.24445(16) 0.0599(2) 0.1394(3) 0.657(19) Uani 1 1 d D . .
C151 C 0.43336(19) 0.3430(3) 0.3387(3) 0.231(7) Uani 1 1 d . . .
H151 H 0.4487 0.3489 0.3316 0.277 Uiso 1 1 calc R . .
C30 C 0.26889(15) 0.06664(18) 0.13098(18) 0.80(4) Uani 1 1 d D . .
C8 C 0.3217(2) 0.2152(3) 0.0485(2) 0.212(6) Uani 1 1 d . . .
H8A H 0.3051 0.2083 0.0441 0.319 Uiso 1 1 calc GR . .
H8B H 0.3288 0.2240 0.0338 0.319 Uiso 1 1 calc GR . .
H8C H 0.3199 0.2272 0.0625 0.319 Uiso 1 1 calc GR . .
F25 F 0.2703(4) 0.0622(3) 0.10512(15) 0.581(17) Uani 1 1 d D . .
F7 F 0.51148(12) 0.2471(2) 0.30605(17) 0.357(5) Uani 1 1 d D . .
F22 F 0.49634(19) 0.1482(2) 0.2423(3) 0.338(6) Uani 1 1 d . . .
C155 C 0.4060(3) 0.3441(3) 0.3700(3) 0.245(7) Uani 1 1 d . . .
H155 H 0.4013 0.3490 0.3866 0.294 Uiso 1 1 calc R . .
C114 C 0.4191(2) 0.1160(3) 0.3663(4) 0.361(9) Uani 1 1 d D . .
C43 C 0.4311(3) 0.1289(3) 0.1603(3) 0.279(6) Uani 1 1 d . . .
F12 F 0.48091(17) 0.1578(3) 0.35899(18) 0.340(5) Uani 1 1 d . . .
C86 C 0.51950(18) 0.2308(2) 0.1895(2) 0.47(2) Uiso 1 1 d D . .
F33 F 0.3663(2) 0.04687(12) 0.2092(2) 0.355(6) Uani 1 1 d D . .
F9 F 0.48111(13) 0.2356(2) 0.33274(13) 0.279(4) Uani 1 1 d D . .
F1 F 0.47123(15) 0.3696(2) 0.3598(2) 0.362(7) Uani 1 1 d D . .
F3 F 0.4509(2) 0.3627(2) 0.39872(17) 0.415(7) Uani 1 1 d D . .
C107 C 0.4723(3) 0.1625(4) 0.3356(4) 0.339(9) Uani 1 1 d . . .
C142 C 0.2102(3) 0.0294(2) 0.3901(3) 0.221(7) Uani 1 1 d . . .
H14C H 0.2211 0.0218 0.4030 0.332 Uiso 1 1 calc GR . .
H14D H 0.2088 0.0179 0.3756 0.332 Uiso 1 1 calc GR . .
H14E H 0.1933 0.0324 0.3973 0.332 Uiso 1 1 calc GR . .
F11 F 0.47346(14) 0.1388(2) 0.3255(2) 0.292(5) Uani 1 1 d . . .
C93 C 0.4731(2) 0.1398(3) 0.2414(4) 0.439(14) Uani 1 1 d D . .
C100 C 0.4150(2) 0.0823(4) 0.2987(6) 0.480(16) Uani 1 1 d D . .
C157 C 0.44725(17) 0.37101(18) 0.37289(19) 0.377(11) Uani 1 1 d D . .
C128 C 0.4726(2) 0.2870(4) 0.3923(3) 0.304(8) Uani 1 1 d D U .
F15 F 0.52213(18) 0.22182(19) 0.21540(17) 0.404(7) Uani 1 1 d D . .
C121 C 0.48775(17) 0.2345(3) 0.30673(16) 0.351(11) Uani 1 1 d D . .
C50 C 0.37880(17) 0.06939(12) 0.20211(18) 0.289(11) Uani 1 1 d D . .
F8 F 0.4891(3) 0.2069(5) 0.2979(4) 0.597(13) Uani 1 1 d . . .
F16 F 0.19834(15) 0.29160(13) 0.05508(14) 0.253(4) Uani 1 1 d D . .
F17 F 0.21667(19) 0.2671(3) 0.02763(11) 0.305(6) Uani 1 1 d D . .
F18 F 0.19077(17) 0.24943(17) 0.0543(3) 0.373(7) Uani 1 1 d D . .
F6 F 0.4766(2) 0.3070(3) 0.4069(4) 0.381(9) Uani 1 1 d . . .
F5 F 0.4859(2) 0.2668(3) 0.3967(3) 0.366(8) Uani 1 1 d . . .
F4 F 0.4826(2) 0.2962(3) 0.3680(3) 0.386(9) Uani 1 1 d . . .
C7 C 0.20930(15) 0.26810(14) 0.05234(15) 0.381(16) Uiso 1 1 d D U .
F2 F 0.4367(3) 0.39632(19) 0.3724(4) 0.637(15) Uani 1 1 d D . .
F29 F 0.1607(3) 0.1049(3) 0.1397(3) 0.572(10) Uani 1 1 d D . .
C23 C 0.1742(3) 0.0915(2) 0.1614(3) 0.412(16) Uani 1 1 d D . .
F28 F 0.1905(3) 0.0732(3) 0.1474(3) 0.520(10) Uani 1 1 d D . .
F30 F 0.1561(3) 0.0799(3) 0.1770(2) 0.464(8) Uani 1 1 d D . .
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'
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-2 -1 -5 0.1230
2 -1 5 0.1757
0 -1 0 0.0313
0 1 0 0.0487
-1 -1 0 0.0371
1 1 0 0.0603
1 -2 -5 0.1195
5 -1 0 0.0375
-5 1 0 0.0429
0 5 4 0.1456
-2 0 5 0.1672
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
Ag12 Ag13 Ag20 117.65(3) . 5
Ag12 Ag13 Ag14 130.24(3) . .
Ag12 Ag13 Ag24 117.60(3) . .
Ag11 Ag13 Ag12 58.78(2) . .
Ag11 Ag13 Ag2 107.74(3) . 9
Ag11 Ag13 Ag22 62.62(2) . 5
Ag11 Ag13 Ag20 61.77(2) . 5
Ag11 Ag13 Ag9 115.43(3) . .
Ag11 Ag13 Ag1 110.66(3) . 9
Ag11 Ag13 Ag16 113.00(3) . .
Ag11 Ag13 Ag14 111.56(3) . .
Ag11 Ag13 Ag24 168.23(3) . .
Ag2 Ag13 Ag12 59.84(2) 9 .
Ag2 Ag13 Ag20 161.87(3) 9 5
Ag2 Ag13 Ag1 58.07(2) 9 9
Ag2 Ag13 Ag16 59.16(2) 9 .
Ag2 Ag13 Ag14 136.43(3) 9 .
Ag2 Ag13 Ag24 63.37(2) 9 .
Ag22 Ag13 Ag12 105.95(3) 5 .
Ag22 Ag13 Ag2 103.78(3) 5 9
Ag22 Ag13 Ag20 58.65(2) 5 5
Ag22 Ag13 Ag1 58.71(2) 5 9
Ag22 Ag13 Ag16 161.39(3) 5 .
Ag22 Ag13 Ag14 110.39(3) 5 .
Ag22 Ag13 Ag24 110.60(3) 5 .
Ag15 Ag13 Ag12 60.61(2) . .
Ag15 Ag13 Ag11 62.98(2) . .
Ag15 Ag13 Ag2 112.09(3) . 9
Ag15 Ag13 Ag22 121.31(3) . 5
Ag15 Ag13 Ag20 77.47(3) . 5
Ag15 Ag13 Ag9 129.71(3) . .
Ag15 Ag13 Ag1 167.36(3) . 9
Ag15 Ag13 Ag16 64.99(2) . .
Ag15 Ag13 Ag14 71.71(3) . .
Ag15 Ag13 Ag24 126.52(3) . .
Ag20 Ag13 Ag14 60.34(2) 5 .
Ag20 Ag13 Ag24 124.37(3) 5 .
Ag9 Ag13 Ag12 166.48(3) . .
Ag9 Ag13 Ag2 115.15(3) . 9
Ag9 Ag13 Ag22 61.93(2) . 5
Ag9 Ag13 Ag20 62.65(2) . 5
Ag9 Ag13 Ag1 62.51(2) . 9
Ag9 Ag13 Ag16 129.81(3) . .
Ag9 Ag13 Ag14 62.65(2) . .
Ag9 Ag13 Ag24 65.29(3) . .
Ag1 Ag13 Ag12 106.80(3) 9 .
Ag1 Ag13 Ag20 109.87(3) 9 5
Ag1 Ag13 Ag14 120.75(3) 9 .
Ag1 Ag13 Ag24 58.53(2) 9 .
Ag16 Ag13 Ag12 60.27(2) . .
Ag16 Ag13 Ag20 137.37(3) . 5
Ag16 Ag13 Ag1 110.95(3) . 9
Ag16 Ag13 Ag14 88.15(3) . .
Ag16 Ag13 Ag24 70.08(3) . .
Ag24 Ag13 Ag14 79.53(3) . .
Ag13 Ag12 Ag16 59.72(2) . .
Ag13 Ag12 Ag3 87.55(2) . .
Ag13 Ag12 Ag18 98.41(3) . 5
Ag13 Ag12 Ag18 138.64(3) . .
Ag13 Ag12 Ag17 147.77(3) . .
Ag12 Ag12 Ag13 112.77(3) 5 .
Ag12 Ag12 Ag13 146.972(18) 9 .
Ag12 Ag12 Ag12 60.000(1) 5 9
Ag12 Ag12 Ag16 127.42(4) 9 .
Ag12 Ag12 Ag16 172.11(4) 5 .
Ag12 Ag12 Ag3 60.381(15) 9 .
Ag12 Ag12 Ag3 60.381(15) 5 .
Ag12 Ag12 Ag18 104.31(2) 9 5
Ag12 Ag12 Ag18 106.78(2) 5 .
Ag12 Ag12 Ag18 62.60(2) 5 5
Ag12 Ag12 Ag18 66.09(3) 9 .
Ag12 Ag12 Ag17 61.120(17) 9 .
Ag12 Ag12 Ag17 61.120(17) 5 .
Ag11 Ag12 Ag13 112.78(3) 9 .
Ag11 Ag12 Ag13 58.69(2) . .
Ag11 Ag12 Ag12 119.05(3) . 9
Ag11 Ag12 Ag12 59.78(3) . 5
Ag11 Ag12 Ag12 117.98(3) 9 5
Ag11 Ag12 Ag12 58.69(3) 9 9
Ag11 Ag12 Ag11 162.91(4) . 9
Ag11 Ag12 Ag2 106.73(3) . 9
Ag11 Ag12 Ag2 58.58(2) 9 9
Ag11 Ag12 Ag15 61.92(2) . .
Ag11 Ag12 Ag15 128.50(3) 9 .
Ag11 Ag12 Ag16 112.42(3) . .
Ag11 Ag12 Ag16 69.01(2) 9 .
Ag11 Ag12 Ag3 82.13(2) 9 .
Ag11 Ag12 Ag3 82.68(2) . .
Ag11 Ag12 Ag18 142.35(3) . .
Ag11 Ag12 Ag18 142.92(3) 9 5
Ag11 Ag12 Ag18 53.30(2) . 5
Ag11 Ag12 Ag18 54.32(2) 9 .
Ag11 Ag12 Ag17 96.05(2) 9 .
Ag11 Ag12 Ag17 96.73(2) . .
Ag2 Ag12 Ag13 58.70(2) 9 .
Ag2 Ag12 Ag12 95.67(2) 9 9
Ag2 Ag12 Ag12 120.795(18) 9 5
Ag2 Ag12 Ag15 108.74(3) 9 .
Ag2 Ag12 Ag16 58.60(2) 9 .
Ag2 Ag12 Ag3 60.78(2) 9 .
Ag2 Ag12 Ag18 109.80(3) 9 .
Ag2 Ag12 Ag18 156.94(3) 9 5
Ag2 Ag12 Ag17 153.32(3) 9 .
Ag15 Ag12 Ag13 57.84(2) . .
Ag15 Ag12 Ag12 110.81(3) . 5
Ag15 Ag12 Ag12 154.35(2) . 9
Ag15 Ag12 Ag16 63.78(2) . .
Ag15 Ag12 Ag3 139.27(3) . .
Ag15 Ag12 Ag18 97.35(3) . .
Ag15 Ag12 Ag18 53.95(2) . 5
Ag15 Ag12 Ag17 93.28(3) . .
Ag16 Ag12 Ag3 119.34(3) . .
Ag16 Ag12 Ag18 114.54(3) . 5
Ag16 Ag12 Ag18 80.11(3) . .
Ag16 Ag12 Ag17 123.47(3) . .
Ag3 Ag12 Ag18 120.09(3) . 5
Ag3 Ag12 Ag18 123.38(3) . .
Ag3 Ag12 Ag17 111.31(3) . .
Ag18 Ag12 Ag18 89.07(3) . 5
Ag17 Ag12 Ag18 50.77(2) . .
Ag17 Ag12 Ag18 49.73(2) . 5
Ag13 Ag11 Ag12 62.53(2) . .
Ag13 Ag11 Ag12 117.72(3) . 5
Ag13 Ag11 Ag22 58.98(2) . 5
Ag13 Ag11 Ag15 58.50(2) . .
Ag13 Ag11 Ag20 61.19(2) . 5
Ag13 Ag11 Ag16 159.50(3) . 5
Ag13 Ag11 Ag21 113.71(3) . 5
Ag13 Ag11 Ag19 107.46(3) . 5
Ag13 Ag11 Ag18 116.11(3) . 5
Ag12 Ag11 Ag12 61.52(3) . 5
Ag12 Ag11 Ag22 115.19(3) 5 5
Ag12 Ag11 Ag22 106.02(3) . 5
Ag12 Ag11 Ag15 60.36(2) . .
Ag12 Ag11 Ag15 110.96(3) 5 .
Ag12 Ag11 Ag20 172.36(3) 5 5
Ag12 Ag11 Ag20 120.63(3) . 5
Ag12 Ag11 Ag16 117.96(3) . 5
Ag12 Ag11 Ag16 56.67(2) 5 5
Ag12 Ag11 Ag21 163.07(3) . 5
Ag12 Ag11 Ag21 111.68(3) 5 5
Ag12 Ag11 Ag19 124.39(3) 5 5
Ag12 Ag11 Ag19 122.59(3) . 5
Ag12 Ag11 Ag18 73.85(3) . 5
Ag2 Ag11 Ag13 104.43(3) . .
Ag2 Ag11 Ag12 61.20(2) . 5
Ag2 Ag11 Ag12 99.25(3) . .
Ag2 Ag11 Ag22 59.17(2) . 5
Ag2 Ag11 Ag15 157.20(3) . .
Ag2 Ag11 Ag20 111.32(3) . 5
Ag2 Ag11 Ag16 55.12(2) . 5
Ag2 Ag11 Ag21 64.96(2) . 5
Ag2 Ag11 Ag19 135.63(3) . 5
Ag2 Ag11 Ag18 127.62(3) . 5
Ag22 Ag11 Ag15 113.82(3) 5 .
Ag22 Ag11 Ag20 57.39(2) 5 5
Ag22 Ag11 Ag16 103.83(3) 5 5
Ag22 Ag11 Ag19 115.12(3) 5 5
Ag15 Ag11 Ag20 75.30(2) . 5
Ag15 Ag11 Ag16 141.32(3) . 5
Ag15 Ag11 Ag19 67.07(2) . 5
Ag20 Ag11 Ag16 121.34(3) 5 5
Ag20 Ag11 Ag19 61.57(2) 5 5
Ag21 Ag11 Ag22 61.45(2) 5 5
Ag21 Ag11 Ag15 133.60(3) 5 .
Ag21 Ag11 Ag20 64.03(2) 5 5
Ag21 Ag11 Ag16 59.15(2) 5 5
Ag21 Ag11 Ag19 74.28(3) 5 5
Ag19 Ag11 Ag16 89.58(3) 5 5
Ag18 Ag11 Ag12 70.92(3) 5 5
Ag18 Ag11 Ag22 173.21(3) 5 5
Ag18 Ag11 Ag15 60.00(3) 5 .
Ag18 Ag11 Ag20 116.59(3) 5 5
Ag18 Ag11 Ag16 81.90(3) 5 5
Ag18 Ag11 Ag21 120.02(3) 5 5
Ag18 Ag11 Ag19 60.73(3) 5 5
Ag13 Ag2 Ag12 61.46(2) 5 5
Ag13 Ag2 Ag4 117.31(3) 5 9
Ag13 Ag2 Ag23 120.07(3) 5 5
Ag13 Ag2 Ag3 88.93(2) 5 .
Ag13 Ag2 Ag21 120.71(3) 5 5
Ag13 Ag2 Ag24 59.92(2) 5 5
Ag12 Ag2 Ag3 60.54(3) 5 .
Ag12 Ag2 Ag21 105.87(3) 5 5
Ag12 Ag2 Ag24 115.95(3) 5 5
Ag11 Ag2 Ag13 116.79(3) . 5
Ag11 Ag2 Ag12 60.22(2) . 5
Ag11 Ag2 Ag22 62.75(2) . 5
Ag11 Ag2 Ag4 112.06(3) . 9
Ag11 Ag2 Ag23 117.24(3) . 5
Ag11 Ag2 Ag16 70.92(2) . 5
Ag11 Ag2 Ag3 82.82(3) . .
Ag11 Ag2 Ag21 58.38(2) . 5
Ag11 Ag2 Ag24 134.72(3) . 5
Ag22 Ag2 Ag13 178.53(3) 5 5
Ag22 Ag2 Ag12 117.53(3) 5 5
Ag22 Ag2 Ag4 62.10(2) 5 9
Ag22 Ag2 Ag23 61.00(2) 5 5
Ag22 Ag2 Ag16 119.01(3) 5 5
Ag22 Ag2 Ag3 89.62(2) 5 .
Ag22 Ag2 Ag21 60.40(2) 5 5
Ag22 Ag2 Ag24 121.46(3) 5 5
Ag1 Ag2 Ag13 62.25(2) . 5
Ag1 Ag2 Ag12 111.43(3) . 5
Ag1 Ag2 Ag11 165.64(3) . .
Ag1 Ag2 Ag22 117.80(3) . 5
Ag1 Ag2 Ag4 60.70(2) . 9
Ag1 Ag2 Ag23 71.42(3) . 5
Ag1 Ag2 Ag16 116.82(3) . 5
Ag1 Ag2 Ag3 82.83(3) . .
Ag1 Ag2 Ag21 135.49(3) . 5
Ag1 Ag2 Ag24 58.60(2) . 5
Ag4 Ag2 Ag12 121.18(3) 9 5
Ag4 Ag2 Ag3 60.63(3) 9 .
Ag4 Ag2 Ag21 117.37(3) 9 5
Ag4 Ag2 Ag24 106.92(3) 9 5
Ag23 Ag2 Ag12 176.96(3) 5 5
Ag23 Ag2 Ag4 60.91(3) 5 9
Ag23 Ag2 Ag3 121.49(3) 5 .
Ag23 Ag2 Ag21 71.11(3) 5 5
Ag23 Ag2 Ag24 64.35(3) 5 5
Ag16 Ag2 Ag13 61.67(2) 5 5
Ag16 Ag2 Ag12 61.64(2) 5 5
Ag16 Ag2 Ag4 176.52(3) 5 9
Ag16 Ag2 Ag23 116.36(3) 5 5
Ag16 Ag2 Ag3 122.15(3) 5 .
Ag16 Ag2 Ag21 62.33(2) 5 5
Ag16 Ag2 Ag24 69.63(3) 5 5
Ag3 Ag2 Ag21 138.20(3) . 5
Ag3 Ag2 Ag24 137.97(3) . 5
Ag21 Ag2 Ag24 83.81(3) 5 5
Ag13 Ag22 Ag11 58.39(2) 9 9
Ag13 Ag22 Ag2 103.12(3) 9 9
Ag13 Ag22 Ag9 58.77(2) 9 9
Ag13 Ag22 Ag4 105.02(3) 9 5
Ag13 Ag22 Ag23 160.68(3) 9 .
Ag13 Ag22 Ag21 110.11(3) 9 .
Ag13 Ag22 Ag25 112.54(3) 9 .
Ag11 Ag22 Ag4 106.14(3) 9 5
Ag11 Ag22 Ag21 57.96(2) 9 .
Ag11 Ag22 Ag25 121.83(3) 9 .
Ag2 Ag22 Ag11 58.07(2) 9 9
Ag2 Ag22 Ag9 161.50(3) 9 9
Ag2 Ag22 Ag4 59.31(2) 9 5
Ag2 Ag22 Ag23 59.79(2) 9 .
Ag2 Ag22 Ag21 63.21(2) 9 .
Ag2 Ag22 Ag25 135.70(3) 9 .
Ag20 Ag22 Ag13 62.57(2) . 9
Ag20 Ag22 Ag11 61.68(2) . 9
Ag20 Ag22 Ag2 114.21(3) . 9
Ag20 Ag22 Ag9 62.94(2) . 9
Ag20 Ag22 Ag4 165.54(3) . 5
Ag20 Ag22 Ag23 130.49(3) . .
Ag20 Ag22 Ag21 64.30(3) . .
Ag20 Ag22 Ag25 64.65(2) . .
Ag9 Ag22 Ag11 109.18(3) 9 9
Ag9 Ag22 Ag4 118.51(3) 9 5
Ag9 Ag22 Ag21 123.90(3) 9 .
Ag9 Ag22 Ag25 61.42(2) 9 .
Ag1 Ag22 Ag13 62.11(2) 5 9
Ag1 Ag22 Ag11 109.99(3) 5 9
Ag1 Ag22 Ag2 107.08(3) 5 9
Ag1 Ag22 Ag20 116.13(3) 5 .
Ag1 Ag22 Ag9 62.60(2) 5 9
Ag1 Ag22 Ag4 58.65(2) 5 5
Ag1 Ag22 Ag23 111.86(3) 5 .
Ag1 Ag22 Ag21 166.97(3) 5 .
Ag1 Ag22 Ag25 112.34(3) 5 .
Ag1 Ag22 Ag7 61.91(3) 5 9
Ag4 Ag22 Ag21 117.39(3) 5 .
Ag4 Ag22 Ag25 129.50(3) 5 .
Ag23 Ag22 Ag11 112.03(3) . 9
Ag23 Ag22 Ag9 137.15(3) . 9
Ag23 Ag22 Ag4 59.60(2) . 5
Ag23 Ag22 Ag21 71.79(3) . .
Ag23 Ag22 Ag25 86.78(3) . .
Ag21 Ag22 Ag25 79.99(3) . .
Ag7 Ag22 Ag13 119.27(3) 9 9
Ag7 Ag22 Ag11 167.80(3) 9 9
Ag7 Ag22 Ag2 113.93(3) 9 9
Ag7 Ag22 Ag20 129.33(3) 9 .
Ag7 Ag22 Ag9 76.01(3) 9 9
Ag7 Ag22 Ag4 62.13(3) 9 5
Ag7 Ag22 Ag23 66.08(3) 9 .
Ag7 Ag22 Ag21 128.96(3) 9 .
Ag7 Ag22 Ag25 70.37(3) 9 .
Ag13 Ag15 Ag12 61.56(2) . .
Ag13 Ag15 Ag11 58.52(2) . .
Ag13 Ag15 Ag16 59.08(2) . .
Ag13 Ag15 Ag14 56.18(2) . .
Ag13 Ag15 Ag19 100.05(3) . 5
Ag13 Ag15 Ag18 114.38(3) . 5
Ag12 Ag15 Ag11 57.72(2) . .
Ag12 Ag15 Ag16 58.65(2) . .
Ag12 Ag15 Ag14 116.19(3) . .
Ag12 Ag15 Ag19 110.92(3) . 5
Ag11 Ag15 Ag16 105.06(3) . .
Ag11 Ag15 Ag14 97.85(3) . .
Ag11 Ag15 Ag19 57.01(2) . 5
Ag16 Ag15 Ag14 78.30(3) . .
Ag16 Ag15 Ag19 158.94(3) . 5
Ag19 Ag15 Ag14 92.51(3) 5 .
Ag18 Ag15 Ag12 71.88(3) 5 .
Ag18 Ag15 Ag11 58.18(3) 5 .
Ag18 Ag15 Ag16 126.42(3) 5 .
Ag18 Ag15 Ag14 147.40(4) 5 .
Ag18 Ag15 Ag19 56.63(3) 5 5
S8 Ag15 Ag13 107.71(7) . .
S8 Ag15 Ag12 164.15(7) . .
S8 Ag15 Ag11 128.73(7) . .
S8 Ag15 Ag16 106.26(7) . .
S8 Ag15 Ag14 51.57(6) . .
S8 Ag15 Ag19 81.55(6) . 5
S8 Ag15 Ag18 123.96(7) . 5
S8 Ag15 S4 114.55(8) . .
S4 Ag15 Ag13 126.77(6) . .
S4 Ag15 Ag12 69.56(6) . .
S4 Ag15 Ag11 110.67(6) . .
S4 Ag15 Ag16 78.68(6) . .
S4 Ag15 Ag14 147.08(6) . .
S4 Ag15 Ag19 116.45(6) . 5
S4 Ag15 Ag18 65.25(6) . 5
Ag13 Ag20 Ag11 57.03(2) 9 9
Ag13 Ag20 Ag9 56.67(2) 9 9
Ag13 Ag20 Ag14 60.21(2) 9 9
Ag13 Ag20 Ag21 104.07(3) 9 .
Ag13 Ag20 Ag19 102.80(3) 9 .
Ag13 Ag20 Ag25 106.24(3) 9 .
Ag11 Ag20 Ag9 106.27(3) 9 9
Ag11 Ag20 Ag14 107.55(3) 9 9
Ag11 Ag20 Ag21 56.41(2) 9 .
Ag11 Ag20 Ag19 59.57(2) 9 .
Ag11 Ag20 Ag25 117.07(3) 9 .
Ag22 Ag20 Ag13 58.78(2) . 9
Ag22 Ag20 Ag11 60.93(2) . 9
Ag22 Ag20 Ag9 59.81(2) . 9
Ag22 Ag20 Ag14 110.39(3) . 9
Ag22 Ag20 Ag21 59.92(2) . .
Ag22 Ag20 Ag19 116.55(3) . .
Ag22 Ag20 Ag25 60.21(2) . .
Ag9 Ag20 Ag21 116.84(3) 9 .
Ag9 Ag20 Ag19 158.82(3) 9 .
Ag9 Ag20 Ag25 59.06(2) 9 .
Ag14 Ag20 Ag9 60.59(2) 9 9
Ag14 Ag20 Ag21 163.45(3) 9 .
Ag14 Ag20 Ag19 106.45(3) 9 .
Ag14 Ag20 Ag25 111.75(3) 9 .
Ag21 Ag20 Ag25 76.22(3) . .
Ag19 Ag20 Ag21 70.32(3) . .
Ag19 Ag20 Ag25 139.92(3) . .
S2 Ag20 Ag13 137.02(7) . 9
S2 Ag20 Ag11 114.54(7) . 9
S2 Ag20 Ag22 160.55(7) . .
S2 Ag20 Ag9 135.11(7) . 9
S2 Ag20 Ag14 89.06(6) . 9
S2 Ag20 Ag21 101.27(7) . .
S2 Ag20 Ag19 55.00(6) . .
S2 Ag20 Ag25 113.21(7) . .
Ag13 Ag9 Ag22 59.30(2) . 5
Ag13 Ag9 Ag20 60.68(2) . 5
Ag13 Ag9 Ag1 60.36(2) . 9
Ag13 Ag9 Ag14 61.04(2) . .
Ag13 Ag9 Ag24 59.31(2) . .
Ag13 Ag9 Ag25 112.35(3) . 5
Ag13 Ag9 Ag8 114.68(3) . .
Ag22 Ag9 Ag20 57.25(2) 5 5
Ag22 Ag9 Ag1 57.25(2) 5 9
Ag22 Ag9 Ag14 107.14(3) 5 .
Ag22 Ag9 Ag24 104.21(3) 5 .
Ag22 Ag9 Ag25 60.68(2) 5 5
Ag22 Ag9 Ag8 103.51(3) 5 .
Ag20 Ag9 Ag14 59.24(2) 5 .
Ag20 Ag9 Ag24 116.94(3) 5 .
Ag20 Ag9 Ag25 62.47(3) 5 5
Ag1 Ag9 Ag20 106.78(3) 9 5
Ag1 Ag9 Ag14 117.30(3) 9 .
Ag1 Ag9 Ag24 56.10(2) 9 .
Ag1 Ag9 Ag25 107.44(3) 9 5
Ag1 Ag9 Ag8 59.08(2) 9 .
Ag14 Ag9 Ag24 76.27(3) . .
Ag14 Ag9 Ag25 113.51(3) . 5
Ag25 Ag9 Ag24 163.36(3) 5 .
Ag8 Ag9 Ag20 160.46(3) . 5
Ag8 Ag9 Ag14 137.61(3) . .
Ag8 Ag9 Ag24 68.26(3) . .
Ag8 Ag9 Ag25 106.78(3) . 5
S10 Ag9 Ag13 158.85(7) . .
S10 Ag9 Ag22 138.50(7) . 5
S10 Ag9 Ag20 134.60(7) . 5
S10 Ag9 Ag1 115.45(7) . 9
S10 Ag9 Ag14 110.85(7) . .
S10 Ag9 Ag24 100.46(7) . .
S10 Ag9 Ag25 88.78(7) . 5
S10 Ag9 Ag8 56.42(7) . .
Ag13 Ag1 Ag9 57.13(2) 5 5
Ag13 Ag1 Ag23 105.00(3) 5 5
Ag13 Ag1 Ag8 113.26(3) 5 5
Ag2 Ag1 Ag13 59.67(2) . 5
Ag2 Ag1 Ag22 105.40(3) . 9
Ag2 Ag1 Ag9 111.73(3) . 5
Ag2 Ag1 Ag4 60.71(2) . 9
Ag2 Ag1 Ag4 99.13(3) . .
Ag2 Ag1 Ag23 55.09(2) . 5
Ag2 Ag1 Ag24 64.98(2) . 5
Ag2 Ag1 Ag8 133.76(3) . 5
Ag2 Ag1 Ag7 159.51(4) . 5
Ag2 Ag1 Ag6 124.26(4) . 5
Ag22 Ag1 Ag13 59.18(2) 9 5
Ag22 Ag1 Ag9 60.15(2) 9 5
Ag22 Ag1 Ag4 62.75(2) 9 .
Ag22 Ag1 Ag4 117.98(3) 9 9
Ag22 Ag1 Ag23 160.49(3) 9 5
Ag22 Ag1 Ag24 113.38(3) 9 5
Ag22 Ag1 Ag8 107.05(3) 9 5
Ag22 Ag1 Ag7 59.13(3) 9 5
Ag22 Ag1 Ag6 120.15(4) 9 5
Ag9 Ag1 Ag23 123.27(3) 5 5
Ag4 Ag1 Ag13 105.89(3) . 5
Ag4 Ag1 Ag13 115.00(3) 9 5
Ag4 Ag1 Ag9 172.06(3) 9 5
Ag4 Ag1 Ag9 120.08(3) . 5
Ag4 Ag1 Ag4 61.36(3) . 9
Ag4 Ag1 Ag23 55.54(2) 9 5
Ag4 Ag1 Ag23 116.59(3) . 5
Ag4 Ag1 Ag24 162.81(3) . 5
Ag4 Ag1 Ag24 111.89(3) 9 5
Ag4 Ag1 Ag8 125.75(3) 9 5
Ag4 Ag1 Ag8 124.82(3) . 5
Ag4 Ag1 Ag7 62.59(3) . 5
Ag4 Ag1 Ag7 112.40(3) 9 5
Ag24 Ag1 Ag13 61.23(2) 5 5
Ag24 Ag1 Ag9 64.31(3) 5 5
Ag24 Ag1 Ag23 60.85(2) 5 5
Ag24 Ag1 Ag8 72.28(3) 5 5
Ag24 Ag1 Ag7 131.58(3) 5 5
Ag8 Ag1 Ag9 60.74(3) 5 5
Ag8 Ag1 Ag23 89.33(3) 5 5
Ag7 Ag1 Ag13 114.05(3) 5 5
Ag7 Ag1 Ag9 73.78(3) 5 5
Ag7 Ag1 Ag23 139.61(3) 5 5
Ag7 Ag1 Ag8 66.57(3) 5 5
Ag6 Ag1 Ag13 174.87(4) 5 5
Ag6 Ag1 Ag9 117.84(3) 5 5
Ag6 Ag1 Ag4 77.28(3) 5 .
Ag6 Ag1 Ag4 70.01(3) 5 9
Ag6 Ag1 Ag23 76.68(3) 5 5
Ag6 Ag1 Ag24 116.49(4) 5 5
Ag6 Ag1 Ag8 61.74(3) 5 5
Ag6 Ag1 Ag7 63.54(3) 5 5
Ag2 Ag4 Ag22 58.59(2) 5 9
Ag2 Ag4 Ag4 121.038(19) 5 9
Ag2 Ag4 Ag4 95.97(3) 5 5
Ag2 Ag4 Ag23 59.47(2) 5 9
Ag2 Ag4 Ag3 61.09(2) 5 .
Ag2 Ag4 Ag5 153.38(3) 5 .
Ag2 Ag4 Ag7 108.91(3) 5 5
Ag2 Ag4 Ag6 108.42(3) 5 9
Ag22 Ag4 Ag5 147.83(3) 9 .
Ag22 Ag4 Ag7 57.09(3) 9 5
Ag22 Ag4 Ag6 134.57(4) 9 9
Ag1 Ag4 Ag2 106.46(3) . 5
Ag1 Ag4 Ag2 58.60(2) 5 5
Ag1 Ag4 Ag22 112.70(3) 5 9
Ag1 Ag4 Ag22 58.60(2) . 9
Ag1 Ag4 Ag1 162.66(4) . 5
Ag1 Ag4 Ag4 117.97(3) 5 9
Ag1 Ag4 Ag4 119.18(3) . 5
Ag1 Ag4 Ag4 58.71(3) 5 5
Ag1 Ag4 Ag4 59.94(3) . 9
Ag1 Ag4 Ag23 111.61(3) . 9
Ag1 Ag4 Ag23 69.97(3) 5 9
Ag1 Ag4 Ag3 82.65(2) . .
Ag1 Ag4 Ag3 82.03(2) 5 .
Ag1 Ag4 Ag5 96.10(2) 5 .
Ag1 Ag4 Ag5 96.89(3) . .
Ag1 Ag4 Ag7 60.06(3) . 5
Ag1 Ag4 Ag7 130.35(3) 5 5
Ag1 Ag4 Ag6 142.76(4) . 9
Ag1 Ag4 Ag6 54.45(3) 5 9
Ag4 Ag4 Ag22 147.303(19) 5 9
Ag4 Ag4 Ag22 113.03(3) 9 9
Ag4 Ag4 Ag4 60.0 5 9
Ag4 Ag4 Ag3 60.342(15) 5 .
Ag4 Ag4 Ag3 60.341(15) 9 .
Ag4 Ag4 Ag5 60.774(17) 9 .
Ag4 Ag4 Ag5 60.775(17) 5 .
Ag4 Ag4 Ag7 154.39(2) 5 5
Ag4 Ag4 Ag7 109.22(4) 9 5
Ag4 Ag4 Ag6 110.28(3) 9 9
Ag4 Ag4 Ag6 69.55(3) 5 9
Ag23 Ag4 Ag22 59.36(2) 9 9
Ag23 Ag4 Ag4 128.28(4) 9 5
Ag23 Ag4 Ag4 171.55(4) 9 9
Ag23 Ag4 Ag3 120.50(3) 9 .
Ag23 Ag4 Ag5 123.15(3) 9 .
Ag23 Ag4 Ag7 64.10(3) 9 5
Ag23 Ag4 Ag6 76.38(3) 9 9
Ag3 Ag4 Ag22 87.95(3) . 9
Ag3 Ag4 Ag5 110.84(3) . .
Ag3 Ag4 Ag7 137.86(3) . 5
Ag3 Ag4 Ag6 126.04(3) . 9
Ag5 Ag4 Ag7 93.62(3) . 5
Ag5 Ag4 Ag6 53.56(2) . 9
Ag7 Ag4 Ag6 96.10(4) 5 9
Ag2 Ag23 Ag22 59.21(2) 9 .
Ag2 Ag23 Ag1 53.50(2) 9 9
Ag2 Ag23 Ag4 59.62(2) 9 5
Ag2 Ag23 Ag24 60.74(2) 9 .
Ag2 Ag23 Ag7 105.26(3) 9 9
Ag22 Ag23 Ag1 102.28(3) . 9
Ag22 Ag23 Ag4 61.05(2) . 5
Ag22 Ag23 Ag24 116.45(3) . .
Ag22 Ag23 Ag7 55.99(3) . 9
Ag4 Ag23 Ag1 54.49(2) 5 9
Ag4 Ag23 Ag24 103.41(3) 5 .
Ag4 Ag23 Ag7 59.20(3) 5 9
Ag24 Ag23 Ag1 52.75(2) . 9
Ag7 Ag23 Ag1 111.22(3) 9 9
Ag7 Ag23 Ag24 162.56(3) 9 .
S14 Ag23 Ag2 110.19(7) . 9
S14 Ag23 Ag22 168.21(7) . .
S14 Ag23 Ag1 72.14(6) . 9
S14 Ag23 Ag4 119.78(7) . 5
S14 Ag23 Ag24 51.84(7) . .
S14 Ag23 Ag7 135.49(7) . 9
S14 Ag23 S6 104.46(9) . .
S6 Ag23 Ag2 102.61(6) . 9
S6 Ag23 Ag22 74.76(6) . .
S6 Ag23 Ag1 149.03(7) . 9
S6 Ag23 Ag4 135.54(6) . 5
S6 Ag23 Ag24 100.15(7) . .
S6 Ag23 Ag7 92.90(7) . 9
Ag13 Ag16 Ag12 60.01(2) . .
Ag13 Ag16 Ag11 101.78(3) . 9
Ag13 Ag16 Ag15 55.93(2) . .
Ag13 Ag16 Ag21 118.05(3) . .
Ag13 Ag16 Ag24 55.36(2) . .
Ag12 Ag16 Ag11 54.32(2) . 9
Ag12 Ag16 Ag15 57.57(2) . .
Ag12 Ag16 Ag21 104.30(3) . .
Ag12 Ag16 Ag24 105.53(3) . .
Ag11 Ag16 Ag24 108.66(3) 9 .
Ag2 Ag16 Ag13 59.17(2) 9 .
Ag2 Ag16 Ag12 59.76(2) 9 .
Ag2 Ag16 Ag11 53.96(2) 9 9
Ag2 Ag16 Ag15 104.76(3) 9 .
Ag2 Ag16 Ag21 61.99(2) 9 .
Ag2 Ag16 Ag24 57.95(2) 9 .
Ag15 Ag16 Ag11 109.04(3) . 9
Ag15 Ag16 Ag24 105.84(3) . .
Ag21 Ag16 Ag11 53.57(2) . 9
Ag21 Ag16 Ag15 161.84(3) . .
Ag21 Ag16 Ag24 78.41(3) . .
S5 Ag16 Ag13 170.64(7) . .
S5 Ag16 Ag12 117.72(7) . .
S5 Ag16 Ag11 71.41(6) . 9
S5 Ag16 Ag2 111.55(7) . 9
S5 Ag16 Ag15 131.79(7) . .
S5 Ag16 Ag21 52.83(6) . .
S5 Ag16 Ag24 119.90(7) . .
S5 Ag16 S7 108.40(8) . .
S7 Ag16 Ag13 74.52(6) . .
S7 Ag16 Ag12 133.88(6) . .
S7 Ag16 Ag11 152.49(7) . 9
S7 Ag16 Ag2 104.17(6) . 9
S7 Ag16 Ag15 91.66(6) . .
S7 Ag16 Ag21 103.35(6) . .
S7 Ag16 Ag24 46.38(6) . .
Ag12 Ag3 Ag12 59.24(3) 5 9
Ag12 Ag3 Ag12 59.24(3) . 5
Ag12 Ag3 Ag12 59.24(3) . 9
Ag12 Ag3 Ag2 117.58(3) . 5
Ag12 Ag3 Ag2 117.58(3) 5 9
Ag12 Ag3 Ag2 58.68(2) 5 .
Ag12 Ag3 Ag2 93.62(3) 5 5
Ag12 Ag3 Ag2 93.62(3) . .
Ag12 Ag3 Ag2 58.68(2) 9 5
Ag12 Ag3 Ag2 117.58(3) 9 .
Ag12 Ag3 Ag2 58.68(2) . 9
Ag12 Ag3 Ag2 93.62(3) 9 9
Ag2 Ag3 Ag2 120.0 5 .
Ag2 Ag3 Ag2 120.000(1) 9 .
Ag2 Ag3 Ag2 120.0 5 9
Ag4 Ag3 Ag12 172.834(19) 9 9
Ag4 Ag3 Ag12 116.960(19) 5 .
Ag4 Ag3 Ag12 116.961(19) 9 5
Ag4 Ag3 Ag12 172.834(19) 5 5
Ag4 Ag3 Ag12 125.186(19) 9 .
Ag4 Ag3 Ag12 125.187(19) 5 9
Ag4 Ag3 Ag12 125.188(19) . 5
Ag4 Ag3 Ag12 116.958(18) . 9
Ag4 Ag3 Ag12 172.832(19) . .
Ag4 Ag3 Ag2 117.23(4) 5 .
Ag4 Ag3 Ag2 58.28(2) . 5
Ag4 Ag3 Ag2 58.28(2) 9 .
Ag4 Ag3 Ag2 93.54(3) . .
Ag4 Ag3 Ag2 117.23(4) . 9
Ag4 Ag3 Ag2 93.54(3) 9 9
Ag4 Ag3 Ag2 93.54(3) 5 5
Ag4 Ag3 Ag2 58.28(2) 5 9
Ag4 Ag3 Ag2 117.23(4) 9 5
Ag4 Ag3 Ag4 59.31(3) 5 .
Ag4 Ag3 Ag4 59.31(3) 9 .
Ag4 Ag3 Ag4 59.31(3) 9 5
Ag13 Ag14 Ag15 52.11(2) . .
Ag13 Ag14 Ag20 59.45(2) . 5
Ag13 Ag14 Ag9 56.30(2) . .
Ag20 Ag14 Ag15 68.72(2) 5 .
Ag20 Ag14 Ag9 60.17(2) 5 .
Ag9 Ag14 Ag15 105.61(3) . .
S9 Ag14 Ag13 137.80(7) . .
S9 Ag14 Ag15 151.24(8) . .
S9 Ag14 Ag20 93.52(7) . 5
S9 Ag14 Ag9 82.68(6) . .
S9 Ag14 S8 113.25(9) . .
S9 Ag14 S7 120.07(9) . .
S8 Ag14 Ag13 99.29(6) . .
S8 Ag14 Ag15 47.21(6) . .
S8 Ag14 Ag20 89.52(6) . 5
S8 Ag14 Ag9 147.35(6) . .
S7 Ag14 Ag13 75.62(6) . .
S7 Ag14 Ag15 87.46(6) . .
S7 Ag14 Ag20 134.92(7) . 5
S7 Ag14 Ag9 93.00(7) . .
S7 Ag14 S8 101.85(9) . .
Ag11 Ag21 Ag2 56.66(2) 9 9
Ag11 Ag21 Ag22 60.58(2) 9 .
Ag11 Ag21 Ag20 59.56(2) 9 .
Ag11 Ag21 Ag16 67.28(2) 9 .
Ag2 Ag21 Ag20 101.95(3) 9 .
Ag2 Ag21 Ag16 55.69(2) 9 .
Ag22 Ag21 Ag2 56.39(2) . 9
Ag22 Ag21 Ag20 55.78(2) . .
Ag22 Ag21 Ag16 109.02(3) . .
Ag16 Ag21 Ag20 124.86(3) . .
S5 Ag21 Ag11 79.70(7) . 9
S5 Ag21 Ag2 106.96(7) . 9
S5 Ag21 Ag22 139.95(7) . .
S5 Ag21 Ag20 100.93(6) . .
S5 Ag21 Ag16 54.30(6) . .
S6 Ag21 Ag11 138.23(8) . 9
S6 Ag21 Ag2 105.16(7) . 9
S6 Ag21 Ag22 77.94(7) . .
S6 Ag21 Ag20 94.14(7) . .
S6 Ag21 Ag16 137.76(7) . .
S6 Ag21 S5 140.56(10) . .
Ag13 Ag24 Ag2 56.71(2) . 9
Ag13 Ag24 Ag9 55.40(2) . .
Ag13 Ag24 Ag23 108.31(3) . .
Ag13 Ag24 Ag16 54.57(2) . .
Ag13 Ag24 Ag8 100.11(3) . .
Ag2 Ag24 Ag9 101.96(3) 9 .
Ag2 Ag24 Ag23 54.91(2) 9 .
Ag2 Ag24 Ag16 52.42(2) 9 .
Ag2 Ag24 Ag8 109.28(3) 9 .
Ag9 Ag24 Ag23 124.07(3) . .
Ag9 Ag24 Ag16 106.58(3) . .
Ag9 Ag24 Ag8 54.25(2) . .
Ag1 Ag24 Ag13 60.25(2) 9 .
Ag1 Ag24 Ag2 56.43(2) 9 9
Ag1 Ag24 Ag9 59.59(2) 9 .
Ag1 Ag24 Ag23 66.40(3) 9 .
Ag1 Ag24 Ag16 100.64(3) 9 .
Ag1 Ag24 Ag8 54.92(2) 9 .
Ag23 Ag24 Ag16 96.07(3) . .
Ag23 Ag24 Ag8 83.86(3) . .
Ag16 Ag24 Ag8 153.42(3) . .
S14 Ag24 Ag13 140.60(7) . .
S14 Ag24 Ag2 105.23(7) . 9
S14 Ag24 Ag9 103.40(6) . .
S14 Ag24 Ag1 80.47(7) . 9
S14 Ag24 Ag23 52.51(6) . .
S14 Ag24 Ag16 145.68(7) . .
S14 Ag24 Ag8 49.28(6) . .
S7 Ag24 Ag13 78.15(7) . .
S7 Ag24 Ag2 105.93(7) . 9
S7 Ag24 Ag9 93.56(7) . .
S7 Ag24 Ag1 138.07(7) . 9
S7 Ag24 Ag23 138.96(7) . .
S7 Ag24 Ag16 53.68(6) . .
S7 Ag24 Ag8 136.08(7) . .
S7 Ag24 S14 140.30(10) . .
Ag11 Ag19 Ag15 55.92(2) 9 9
Ag11 Ag19 Ag20 58.86(2) 9 .
Ag11 Ag19 Ag28 134.15(3) 9 9
Ag20 Ag19 Ag15 69.54(2) . 9
Ag20 Ag19 Ag28 100.29(3) . 9
Ag28 Ag19 Ag15 79.04(3) 9 9
Ag18 Ag19 Ag11 57.21(3) . 9
Ag18 Ag19 Ag15 55.13(3) . 9
Ag18 Ag19 Ag20 111.00(3) . .
Ag18 Ag19 Ag28 105.62(4) . 9
S5 Ag19 Ag11 76.85(6) . 9
S5 Ag19 Ag15 130.00(7) . 9
S5 Ag19 Ag20 101.27(7) . .
S5 Ag19 Ag28 148.72(7) . 9
S5 Ag19 Ag18 87.38(7) . .
S5 Ag19 S3 117.68(9) . .
S5 Ag19 S2 116.86(9) . .
S3 Ag19 Ag11 108.89(7) . 9
S3 Ag19 Ag15 69.75(6) . 9
S3 Ag19 Ag20 135.89(7) . .
S3 Ag19 Ag28 55.62(6) . 9
S3 Ag19 Ag18 55.00(6) . .
S3 Ag19 S2 116.69(8) . .
S2 Ag19 Ag11 112.52(7) . 9
S2 Ag19 Ag15 97.21(7) . 9
S2 Ag19 Ag20 53.68(6) . .
S2 Ag19 Ag28 61.11(6) . 9
S2 Ag19 Ag18 152.17(7) . .
Ag22 Ag25 Ag20 55.14(2) . .
Ag22 Ag25 Ag9 57.90(2) . 9
Ag22 Ag25 Ag7 52.46(2) . 9
Ag20 Ag25 Ag7 104.24(3) . 9
Ag9 Ag25 Ag20 58.48(2) 9 .
Ag9 Ag25 Ag7 67.06(3) 9 9
S6 Ag25 Ag22 75.44(6) . .
S6 Ag25 Ag20 90.81(6) . .
S6 Ag25 Ag9 132.87(6) . 9
S6 Ag25 Ag7 90.77(7) . 9
S6 Ag25 S11 108.48(10) . 9
S1 Ag25 Ag22 133.72(7) . .
S1 Ag25 Ag20 79.34(6) . .
S1 Ag25 Ag9 93.35(7) . 9
S1 Ag25 Ag7 152.26(8) . 9
S1 Ag25 S6 116.84(10) . .
S1 Ag25 S11 114.37(10) . 9
S11 Ag25 Ag22 101.01(7) 9 .
S11 Ag25 Ag20 145.18(8) 9 .
S11 Ag25 Ag9 87.92(7) 9 9
S11 Ag25 Ag7 48.69(7) 9 9
Ag9 Ag8 Ag24 57.49(2) . .
Ag9 Ag8 Ag7 69.28(3) . .
Ag1 Ag8 Ag9 60.18(2) 9 .
Ag1 Ag8 Ag24 52.80(2) 9 .
Ag1 Ag8 Ag7 56.11(2) 9 .
Ag1 Ag8 Ag26 136.86(4) 9 .
Ag1 Ag8 Ag6 57.07(3) 9 .
Ag7 Ag8 Ag24 104.86(3) . .
Ag26 Ag8 Ag9 100.94(3) . .
Ag26 Ag8 Ag24 151.17(4) . .
Ag26 Ag8 Ag7 81.34(3) . .
Ag6 Ag8 Ag9 113.04(4) . .
Ag6 Ag8 Ag24 98.14(3) . .
Ag6 Ag8 Ag7 58.34(3) . .
Ag6 Ag8 Ag26 108.65(4) . .
S14 Ag8 Ag9 105.00(7) . .
S14 Ag8 Ag1 77.96(6) . 9
S14 Ag8 Ag24 47.65(6) . .
S14 Ag8 Ag7 130.57(7) . .
S14 Ag8 Ag26 144.47(7) . .
S14 Ag8 Ag6 82.96(7) . .
S14 Ag8 S10 119.84(9) . .
S14 Ag8 S12 112.24(10) . .
S10 Ag8 Ag9 54.08(6) . .
S10 Ag8 Ag1 114.22(7) . 9
S10 Ag8 Ag24 91.47(6) . .
S10 Ag8 Ag7 96.85(7) . .
S10 Ag8 Ag26 59.71(6) . .
S10 Ag8 Ag6 154.93(8) . .
S12 Ag8 Ag9 138.41(9) . .
S12 Ag8 Ag1 109.91(8) . 9
S12 Ag8 Ag24 152.12(8) . .
S12 Ag8 Ag7 72.64(8) . .
S12 Ag8 Ag26 56.71(7) . .
S12 Ag8 Ag6 56.24(8) . .
S12 Ag8 S10 116.40(9) . .
Ag4 Ag5 Ag4 58.45(3) 5 .
Ag4 Ag5 Ag4 58.45(3) 9 .
Ag4 Ag5 Ag4 58.45(3) 5 9
Ag6 Ag5 Ag4 68.49(3) . 5
Ag6 Ag5 Ag4 68.49(3) 5 9
Ag6 Ag5 Ag4 68.49(3) 9 .
Ag6 Ag5 Ag4 74.99(4) 9 5
Ag6 Ag5 Ag4 121.80(5) . .
Ag6 Ag5 Ag4 121.80(5) 5 5
Ag6 Ag5 Ag4 74.99(4) 5 .
Ag6 Ag5 Ag4 74.99(4) . 9
Ag6 Ag5 Ag4 121.80(5) 9 9
Ag6 Ag5 Ag6 119.843(5) 9 5
Ag6 Ag5 Ag6 119.842(5) . 5
Ag6 Ag5 Ag6 119.843(5) . 9
S13 Ag5 Ag4 116.51(9) . 9
S13 Ag5 Ag4 69.00(8) 9 .
S13 Ag5 Ag4 69.01(8) . 5
S13 Ag5 Ag4 118.80(8) 9 9
S13 Ag5 Ag4 118.81(8) . .
S13 Ag5 Ag4 118.80(8) 5 5
S13 Ag5 Ag4 116.51(9) 5 .
S13 Ag5 Ag4 69.00(8) 5 9
S13 Ag5 Ag4 116.51(9) 9 5
S13 Ag5 Ag6 53.43(8) 5 5
S13 Ag5 Ag6 166.16(9) . 5
S13 Ag5 Ag6 166.16(9) 5 9
S13 Ag5 Ag6 69.66(8) 9 5
S13 Ag5 Ag6 69.66(8) . 9
S13 Ag5 Ag6 53.43(8) . .
S13 Ag5 Ag6 53.43(8) 9 9
S13 Ag5 Ag6 69.66(8) 5 .
S13 Ag5 Ag6 166.16(9) 9 .
S13 Ag5 S13 114.87(6) . 9
S13 Ag5 S13 114.88(6) 5 9
S13 Ag5 S13 114.87(6) . 5
S3 Ag28 Ag19 53.05(6) 5 5
S3 Ag28 S2 104.91(8) 5 5
S2 Ag28 Ag19 51.89(5) 5 5
S8 Ag28 Ag19 84.08(6) . 5
S8 Ag28 S3 90.09(9) . 5
S8 Ag28 S2 80.79(8) . 5
P1 Ag28 Ag19 137.81(8) . 5
P1 Ag28 S3 118.49(11) . 5
P1 Ag28 S2 116.67(11) . 5
P1 Ag28 S8 137.56(10) . .
S9 Ag29 S10 84.98(8) 9 9
S1 Ag29 S9 80.97(9) . 9
S1 Ag29 S10 100.08(9) . 9
P4 Ag29 S9 135.47(12) . 9
P4 Ag29 S10 119.50(14) . 9
P4 Ag29 S1 124.45(14) . .
Ag22 Ag7 Ag1 58.97(3) 5 9
Ag22 Ag7 Ag4 60.79(3) 5 9
Ag22 Ag7 Ag23 57.93(3) 5 5
Ag22 Ag7 Ag25 57.17(3) 5 5
Ag22 Ag7 Ag8 100.19(3) 5 .
Ag22 Ag7 Ag6 113.63(4) 5 .
Ag1 Ag7 Ag4 57.35(2) 9 9
Ag1 Ag7 Ag23 103.49(3) 9 5
Ag1 Ag7 Ag25 100.77(3) 9 5
Ag1 Ag7 Ag8 57.31(2) 9 .
Ag1 Ag7 Ag6 56.88(3) 9 .
Ag4 Ag7 Ag23 56.70(2) 9 5
Ag4 Ag7 Ag25 115.72(3) 9 5
Ag4 Ag7 Ag8 111.38(3) 9 .
Ag4 Ag7 Ag6 72.05(3) 9 .
Ag23 Ag7 Ag25 77.19(3) 5 5
Ag23 Ag7 Ag8 157.78(4) 5 .
Ag8 Ag7 Ag25 94.54(3) . 5
Ag6 Ag7 Ag23 125.15(4) . 5
Ag6 Ag7 Ag25 149.48(4) . 5
Ag6 Ag7 Ag8 56.68(3) . .
S11 Ag7 Ag22 109.53(8) . 5
S11 Ag7 Ag1 130.39(8) . 9
S11 Ag7 Ag4 164.41(9) . 9
S11 Ag7 Ag23 108.13(8) . 5
S11 Ag7 Ag25 52.52(8) . 5
S11 Ag7 Ag8 81.53(8) . .
S11 Ag7 Ag6 123.44(9) . .
S11 Ag7 S13 114.64(10) . 5
S13 Ag7 Ag22 124.50(8) 5 5
S13 Ag7 Ag1 108.92(8) 5 9
S13 Ag7 Ag4 68.03(7) 5 9
S13 Ag7 Ag23 77.25(8) 5 5
S13 Ag7 Ag25 144.45(8) 5 5
S13 Ag7 Ag8 117.69(9) 5 .
S13 Ag7 Ag6 65.97(8) 5 .
S9 Ag27 S2 99.02(9) . 5
S9 Ag27 S1 82.72(9) . 5
S1 Ag27 S2 88.35(8) 5 5
P2 Ag27 S2 118.23(14) . 5
P2 Ag27 S9 124.95(14) . .
P2 Ag27 S1 133.18(12) . 5
Ag12 Ag18 Ag12 51.31(3) . 9
Ag11 Ag18 Ag12 54.76(2) 9 .
Ag11 Ag18 Ag12 52.85(2) 9 9
Ag11 Ag18 Ag15 61.83(3) 9 9
Ag11 Ag18 Ag19 62.06(3) 9 .
Ag15 Ag18 Ag12 54.17(2) 9 9
Ag15 Ag18 Ag12 100.72(3) 9 .
Ag15 Ag18 Ag19 68.23(3) 9 .
Ag19 Ag18 Ag12 106.50(3) . 9
Ag19 Ag18 Ag12 111.34(3) . .
Ag17 Ag18 Ag12 58.96(4) . .
Ag17 Ag18 Ag12 57.56(4) . 9
Ag17 Ag18 Ag11 103.29(5) . 9
Ag17 Ag18 Ag15 99.86(4) . 9
Ag17 Ag18 Ag19 164.00(5) . .
S3 Ag18 Ag12 166.84(7) . .
S3 Ag18 Ag12 130.01(7) . 9
S3 Ag18 Ag11 114.01(7) . 9
S3 Ag18 Ag15 76.69(7) . 9
S3 Ag18 Ag19 55.60(7) . .
S3 Ag18 Ag17 134.07(8) . .
S4 Ag18 Ag12 66.02(6) . .
S4 Ag18 Ag12 108.83(6) . 9
S4 Ag18 Ag11 113.66(7) . 9
S4 Ag18 Ag15 162.36(7) . 9
S4 Ag18 Ag19 126.40(7) . .
S4 Ag18 Ag17 63.70(6) . .
S4 Ag18 S3 118.91(9) . .
Ag12 Ag17 Ag12 57.76(3) 9 5
Ag12 Ag17 Ag12 57.76(3) 9 .
Ag12 Ag17 Ag12 57.76(3) 5 .
Ag18 Ag17 Ag12 121.17(5) 9 .
Ag18 Ag17 Ag12 121.17(5) 5 9
Ag18 Ag17 Ag12 72.71(3) 9 5
Ag18 Ag17 Ag12 70.28(3) 5 5
Ag18 Ag17 Ag12 72.71(3) 5 .
Ag18 Ag17 Ag12 70.28(3) . .
Ag18 Ag17 Ag12 121.17(5) . 5
Ag18 Ag17 Ag12 70.28(3) 9 9
Ag18 Ag17 Ag12 72.71(3) . 9
Ag18 Ag17 Ag18 119.785(6) . 9
Ag18 Ag17 Ag18 119.781(6) 9 5
Ag18 Ag17 Ag18 119.777(6) . 5
Ag18 Ag17 S4 55.05(6) . .
Ag18 Ag17 S4 67.77(6) . 9
Ag18 Ag17 S4 168.66(8) . 5
Ag18 Ag17 S4 168.66(8) 9 .
Ag18 Ag17 S4 55.05(6) 9 9
Ag18 Ag17 S4 67.77(6) 9 5
Ag18 Ag17 S4 55.05(6) 5 5
Ag18 Ag17 S4 168.66(8) 5 9
Ag18 Ag17 S4 67.76(6) 5 .
S4 Ag17 Ag12 68.15(6) 5 5
S4 Ag17 Ag12 68.16(6) . .
S4 Ag17 Ag12 68.15(6) 9 9
S4 Ag17 Ag12 114.17(7) 9 5
S4 Ag17 Ag12 118.60(6) . 5
S4 Ag17 Ag12 114.17(7) 5 .
S4 Ag17 Ag12 118.60(6) 5 9
S4 Ag17 Ag12 118.60(6) 9 .
S4 Ag17 Ag12 114.17(7) . 9
S4 Ag17 S4 115.82(4) 5 9
S4 Ag17 S4 115.82(4) 5 .
S4 Ag17 S4 115.82(4) 9 .
S10 Ag26 Ag8 54.52(6) . .
S12 Ag26 Ag8 55.02(7) . .
S12 Ag26 S10 109.52(9) . .
S11 Ag26 Ag8 85.21(7) . .
S11 Ag26 S10 80.93(10) . .
S11 Ag26 S12 91.99(11) . .
P3 Ag26 Ag8 140.31(10) . .
P3 Ag26 S10 116.09(13) . .
P3 Ag26 S12 117.75(13) . .
P3 Ag26 S11 133.92(11) . .
Ag1 Ag6 Ag4 55.54(3) 9 5
Ag1 Ag6 Ag8 61.18(3) 9 .
Ag1 Ag6 Ag7 59.57(3) 9 .
Ag8 Ag6 Ag4 112.24(4) . 5
Ag8 Ag6 Ag7 64.98(3) . .
Ag5 Ag6 Ag1 100.48(5) . 9
Ag5 Ag6 Ag4 57.95(4) . 5
Ag5 Ag6 Ag8 158.02(6) . .
Ag5 Ag6 Ag7 95.91(4) . .
Ag7 Ag6 Ag4 99.45(4) . 5
S12 Ag6 Ag1 113.16(8) . 9
S12 Ag6 Ag4 167.82(8) . 5
S12 Ag6 Ag8 55.59(7) . .
S12 Ag6 Ag5 133.08(9) . .
S12 Ag6 Ag7 75.75(9) . .
S13 Ag6 Ag1 118.29(9) . 9
S13 Ag6 Ag4 67.11(8) . 5
S13 Ag6 Ag8 135.72(10) . .
S13 Ag6 Ag5 62.03(9) . .
S13 Ag6 Ag7 157.72(10) . .
S13 Ag6 S12 120.82(12) . .
Ag21 S5 Ag16 72.87(7) . .
Ag21 S5 Ag19 86.97(8) . .
Ag19 S5 Ag16 117.12(10) . .
C103 S5 Ag16 125.4(3) . .
C103 S5 Ag21 118.6(3) . .
C103 S5 Ag19 116.7(3) . .
Ag19 S3 Ag28 71.32(7) . 9
Ag18 S3 Ag19 69.40(7) . .
Ag18 S3 Ag28 131.71(11) . 9
C124 S3 Ag19 109.7(3) . .
C124 S3 Ag28 113.7(3) . 9
C124 S3 Ag18 105.2(3) . .
Ag20 S2 Ag19 71.31(7) . .
Ag20 S2 Ag28 116.69(10) . 9
Ag20 S2 Ag27 97.75(9) . 9
Ag19 S2 Ag28 67.00(7) . 9
Ag19 S2 Ag27 167.17(12) . 9
Ag27 S2 Ag28 114.33(9) 9 9
C110 S2 Ag20 117.7(3) . .
C110 S2 Ag19 98.0(3) . .
C110 S2 Ag28 113.5(3) . 9
C110 S2 Ag27 93.0(3) . 9
Ag23 S14 Ag8 115.72(11) . .
Ag24 S14 Ag23 75.66(7) . .
Ag24 S14 Ag8 83.07(8) . .
C46 S14 Ag23 123.4(4) . .
C46 S14 Ag24 119.5(4) . .
C46 S14 Ag8 119.9(4) . .
Ag14 S9 Ag29 133.24(10) . 5
Ag14 S9 Ag27 108.92(11) . .
Ag27 S9 Ag29 81.14(8) . 5
C82 S9 Ag14 98.5(3) . .
C82 S9 Ag29 123.7(3) . 5
C82 S9 Ag27 104.8(3) . .
Ag15 S8 Ag14 81.23(7) . .
Ag15 S8 Ag28 104.03(9) . .
Ag28 S8 Ag14 128.32(11) . .
C117 S8 Ag15 111.0(3) . .
C117 S8 Ag14 109.8(3) . .
C117 S8 Ag28 115.3(3) . .
Ag21 S6 Ag23 81.00(8) . .
Ag21 S6 Ag25 97.20(9) . .
Ag25 S6 Ag23 96.80(10) . .
C96 S6 Ag23 138.6(3) . .
C96 S6 Ag21 112.9(3) . .
C96 S6 Ag25 118.3(3) . .
Ag9 S10 Ag8 69.50(7) . .
Ag9 S10 Ag29 98.54(10) . 5
Ag9 S10 Ag26 116.70(10) . .
Ag8 S10 Ag29 164.71(13) . 5
Ag8 S10 Ag26 65.77(7) . .
Ag26 S10 Ag29 114.37(9) . 5
C39 S10 Ag9 114.3(4) . .
C39 S10 Ag8 98.1(4) . .
C39 S10 Ag29 95.6(4) . 5
C39 S10 Ag26 114.3(4) . .
Ag25 S1 Ag29 107.07(12) . .
Ag25 S1 Ag27 135.82(11) . 9
Ag29 S1 Ag27 82.94(8) . 9
C131 S1 Ag25 105.1(2) . .
C131 S1 Ag29 106.2(2) . .
C131 S1 Ag27 113.2(2) . 9
C68 P1 Ag28 116.8(3) . .
C75 P1 Ag28 115.7(3) . .
C75 P1 C68 102.9(4) . .
C75 P1 C66 108.2(4) . .
C66 P1 Ag28 106.6(4) . .
C66 P1 C68 106.2(5) . .
Ag18 S4 Ag15 122.17(10) . .
Ag18 S4 Ag17 61.25(6) . .
Ag17 S4 Ag15 100.99(8) . .
C153 S4 Ag15 130.0(4) . .
C153 S4 Ag18 107.7(4) . .
C153 S4 Ag17 106.1(4) . .
Ag8 S12 Ag26 68.27(8) . .
Ag8 S12 Ag6 68.17(8) . .
Ag6 S12 Ag26 129.62(14) . .
C26 S12 Ag8 110.8(3) . .
C26 S12 Ag26 110.5(3) . .
C26 S12 Ag6 107.7(3) . .
Ag7 S11 Ag25 78.78(9) . 5
Ag7 S11 Ag26 102.06(12) . .
Ag26 S11 Ag25 128.56(12) . 5
C3 S11 Ag25 117.2(3) . 5
C3 S11 Ag7 105.9(3) . .
C3 S11 Ag26 112.0(3) . .
Ag14 S7 Ag16 99.06(9) . .
Ag24 S7 Ag16 79.93(8) . .
Ag24 S7 Ag14 95.70(9) . .
C89 S7 Ag16 136.0(3) . .
C89 S7 Ag14 118.9(3) . .
C89 S7 Ag24 114.8(3) . .
C11 P3 Ag26 114.9(3) . .
C11 P3 C34 104.8(4) . .
C11 P3 C9 107.3(4) . .
C34 P3 Ag26 117.9(3) . .
C34 P3 C9 102.7(5) . .
C9 P3 Ag26 108.2(4) . .
Ag5 S13 Ag7 101.89(11) . 9
Ag6 S13 Ag5 64.54(8) . .
Ag6 S13 Ag7 120.92(14) . 9
C19 S13 Ag5 107.4(3) . .
C19 S13 Ag7 127.1(3) . 9
C19 S13 Ag6 111.3(3) . .
C62 P2 Ag27 118.1(3) . .
C62 P2 C64 116.2(7) . .
C62 P2 C54 93.4(5) . .
C64 P2 Ag27 109.5(5) . .
C54 P2 Ag27 117.6(4) . .
C54 P2 C64 100.1(6) . .
C143 P4 Ag29 114.0(5) . .
C143 P4 C146 114.3(7) . .
C143 P4 C141 98.7(6) . .
C146 P4 Ag29 113.4(3) . .
C146 P4 C141 103.0(5) . .
C141 P4 Ag29 112.0(4) . .
C94 C99 C98 120.0 . .
C94 C99 C100 135.2(8) . .
C98 C99 C100 104.1(8) . .
C99 C94 H94 120.0 . .
C95 C94 C99 120.0 . .
C95 C94 H94 120.0 . .
C94 C95 H95 120.0 . .
C96 C95 C94 120.0 . .
C96 C95 H95 120.0 . .
C95 C96 S6 122.8(4) . .
C95 C96 C97 120.0 . .
C97 C96 S6 117.0(4) . .
C96 C97 H97 120.0 . .
C98 C97 C96 120.0 . .
C98 C97 H97 120.0 . .
C99 C98 H98 120.0 . .
C97 C98 C99 120.0 . .
C97 C98 H98 120.0 . .
C41 C40 H40 115.0 . .
C39 C40 H40 115.0 . .
C39 C40 C41 129.9(10) . .
C104 C103 S5 121.5(7) . .
C104 C103 C102 119.5(9) . .
C102 C103 S5 118.9(7) . .
C42 C37 H37 119.3 . .
C42 C37 C38 121.3(11) . .
C38 C37 H37 119.3 . .
C26 C25 H25 120.0 . .
C26 C25 C24 120.0 . .
C24 C25 H25 120.0 . .
C25 C26 S12 122.3(4) . .
C27 C26 S12 117.2(4) . .
C27 C26 C25 120.0 . .
C26 C27 H27 120.0 . .
C28 C27 C26 120.0 . .
C28 C27 H27 120.0 . .
C27 C28 H28 120.0 . .
C27 C28 C29 120.0 . .
C29 C28 H28 120.0 . .
C28 C29 C30 109.2(7) . .
C24 C29 C28 120.0 . .
C24 C29 C30 130.8(7) . .
C25 C24 H24 120.0 . .
C29 C24 C25 120.0 . .
C29 C24 H24 120.0 . .
C113 C112 H112 120.0 . .
C113 C112 C111 120.0 . .
C111 C112 H112 120.0 . .
C112 C113 C114 121.1(7) . .
C108 C113 C112 120.0 . .
C108 C113 C114 117.1(7) . .
C113 C108 H108 120.0 . .
C113 C108 C109 120.0 . .
C109 C108 H108 120.0 . .
C108 C109 H109 120.0 . .
C110 C109 C108 120.0 . .
C110 C109 H109 120.0 . .
C109 C110 S2 118.7(4) . .
C109 C110 C111 120.0 . .
C111 C110 S2 121.1(4) . .
C112 C111 H111 120.0 . .
C110 C111 C112 120.0 . .
C110 C111 H111 120.0 . .
C124 C123 H123 120.0 . .
C124 C123 C122 120.0 . .
C122 C123 H123 120.0 . .
C123 C124 S3 122.9(4) . .
C123 C124 C125 120.0 . .
C125 C124 S3 117.1(4) . .
C124 C125 H125 120.0 . .
C124 C125 C126 120.0 . .
C126 C125 H125 120.0 . .
C125 C126 H126 120.0 . .
C125 C126 C127 120.0 . .
C127 C126 H126 120.0 . .
C126 C127 C128 120.8(9) . .
C122 C127 C126 120.0 . .
C122 C127 C128 119.0(9) . .
C123 C122 H122 120.0 . .
C127 C122 C123 120.0 . .
C127 C122 H122 120.0 . .
C40 C41 H41 119.7 . .
C40 C41 C42 120.6(11) . .
C42 C41 H41 119.7 . .
C46 C47 H47 122.9 . .
C48 C47 H47 122.9 . .
C48 C47 C46 114.2(12) . .
C116 C115 H115 120.0 . .
C116 C115 C120 120.0 . .
C120 C115 H115 120.0 . .
C115 C116 H116 120.0 . .
C117 C116 C115 120.0 . .
C117 C116 H116 120.0 . .
C116 C117 S8 122.7(4) . .
C118 C117 S8 117.3(4) . .
C118 C117 C116 120.0 . .
C117 C118 H118 120.0 . .
C117 C118 C119 120.0 . .
C119 C118 H118 120.0 . .
C118 C119 H119 120.0 . .
C120 C119 C118 120.0 . .
C120 C119 H119 120.0 . .
C115 C120 C121 122.6(5) . .
C119 C120 C115 120.0 . .
C119 C120 C121 116.5(5) . .
C3 C4 H4 120.0 . .
C3 C4 C5 120.0 . .
C5 C4 H4 120.0 . .
C4 C3 S11 116.9(4) . .
C4 C3 C2 120.0 . .
C2 C3 S11 123.1(4) . .
C3 C2 H2 120.0 . .
C1 C2 C3 120.0 . .
C1 C2 H2 120.0 . .
C2 C1 H1 120.0 . .
C2 C1 C6 120.0 . .
C6 C1 H1 120.0 . .
C1 C6 C7 119.8(7) . .
C5 C6 C1 120.0 . .
C5 C6 C7 119.4(7) . .
C4 C5 H5 120.0 . .
C6 C5 C4 120.0 . .
C6 C5 H5 120.0 . .
C45 C44 H44 122.8 . .
C49 C44 H44 122.8 . .
C49 C44 C45 114.5(13) . .
C132 C131 S1 117.5(3) . .
C132 C131 C130 120.0 . .
C130 C131 S1 122.5(3) . .
C131 C132 H132 120.0 . .
C131 C132 C133 120.0 . .
C133 C132 H132 120.0 . .
C132 C133 H133 120.0 . .
C134 C133 C132 120.0 . .
C134 C133 H133 120.0 . .
C133 C134 C135 120.8(7) . .
C129 C134 C133 120.0 . .
C129 C134 C135 119.0(7) . .
C134 C129 H129 120.0 . .
C134 C129 C130 120.0 . .
C130 C129 H129 120.0 . .
C131 C130 H130 120.0 . .
C129 C130 C131 120.0 . .
C129 C130 H130 120.0 . .
C47 C46 S14 116.4(9) . .
C45 C46 S14 119.4(8) . .
C45 C46 C47 124.0(11) . .
C40 C39 S10 134.0(9) . .
C40 C39 C38 110.4(10) . .
C38 C39 S10 115.3(9) . .
C104 C105 H105 120.4 . .
C106 C105 H105 120.4 . .
C106 C105 C104 119.2(11) . .
C82 C81 H81 120.0 . .
C82 C81 C80 120.0 . .
C80 C81 H81 120.0 . .
C81 C82 S9 119.3(4) . .
C81 C82 C83 120.0 . .
C83 C82 S9 120.6(4) . .
C82 C83 H83 120.0 . .
C82 C83 C84 120.0 . .
C84 C83 H83 120.0 . .
C83 C84 H84 120.0 . .
C85 C84 C83 120.0 . .
C85 C84 H84 120.0 . .
C84 C85 C86 115.1(7) . .
C80 C85 C84 120.0 . .
C80 C85 C86 123.6(7) . .
C81 C80 H80 120.0 . .
C85 C80 C81 120.0 . .
C85 C80 H80 120.0 . .
C68 C69 H69 120.0 . .
C68 C69 C70 120.0 . .
C70 C69 H69 120.0 . .
C69 C68 P1 127.8(4) . .
C69 C68 C73 120.0 . .
C73 C68 P1 112.2(4) . .
C68 C73 H73 120.0 . .
C72 C73 C68 120.0 . .
C72 C73 H73 120.0 . .
C73 C72 H72 120.0 . .
C73 C72 C71 120.0 . .
C71 C72 H72 120.0 . .
C72 C71 H71 120.0 . .
C70 C71 C72 120.0 . .
C70 C71 H71 120.0 . .
C69 C70 H70 120.0 . .
C71 C70 C69 120.0 . .
C71 C70 H70 120.0 . .
C103 C104 C105 119.2(10) . .
C103 C104 H104 120.4 . .
C105 C104 H104 120.4 . .
C44 C45 H45 119.7 . .
C46 C45 C44 120.6(11) . .
C46 C45 H45 119.7 . .
C37 C42 C41 117.8(13) . .
C37 C42 C43 120.3(12) . .
C41 C42 C43 121.9(12) . .
C18 C19 S13 118.8(5) . .
C18 C19 C20 120.0 . .
C20 C19 S13 120.9(5) . .
C19 C18 H18 120.0 . .
C19 C18 C17 120.0 . .
C17 C18 H18 120.0 . .
C18 C17 H17 120.0 . .
C22 C17 C18 120.0 . .
C22 C17 H17 120.0 . .
C17 C22 C21 120.0 . .
C17 C22 C23 120.4(12) . .
C21 C22 C23 119.5(12) . .
C22 C21 H21 120.0 . .
C20 C21 C22 120.0 . .
C20 C21 H21 120.0 . .
C19 C20 H20 120.0 . .
C21 C20 C19 120.0 . .
C21 C20 H20 120.0 . .
C102 C101 H101 123.4 . .
C102 C101 C106 113.3(12) . .
C106 C101 H101 123.3 . .
C37 C38 H38 120.1 . .
C39 C38 C37 119.8(11) . .
C39 C38 H38 120.1 . .
C103 C102 H102 117.4 . .
C101 C102 C103 125.1(12) . .
C101 C102 H102 117.4 . .
C12 C11 P3 122.7(4) . .
C12 C11 C16 120.0 . .
C16 C11 P3 116.8(4) . .
C11 C12 H12 120.0 . .
C13 C12 C11 120.0 . .
C13 C12 H12 120.0 . .
C12 C13 H13 120.0 . .
C12 C13 C14 120.0 . .
C14 C13 H13 120.0 . .
C13 C14 H14 120.0 . .
C15 C14 C13 120.0 . .
C15 C14 H14 120.0 . .
C14 C15 H15 120.0 . .
C14 C15 C16 120.0 . .
C16 C15 H15 120.0 . .
C11 C16 H16 120.0 . .
C15 C16 C11 120.0 . .
C15 C16 H16 120.0 . .
C61 C62 P2 113.1(6) . .
C61 C62 C57 120.0 . .
C57 C62 P2 126.1(6) . .
C62 C61 H61 120.0 . .
C60 C61 C62 120.0 . .
C60 C61 H61 120.0 . .
C61 C60 H60 120.0 . .
C59 C60 C61 120.0 . .
C59 C60 H60 120.0 . .
C60 C59 H59 120.0 . .
C60 C59 C58 120.0 . .
C58 C59 H59 120.0 . .
C59 C58 H58 120.0 . .
C59 C58 C57 120.0 . .
C57 C58 H58 120.0 . .
C62 C57 H57 120.0 . .
C58 C57 C62 120.0 . .
C58 C57 H57 120.0 . .
P4 C143 H143 108.4 . .
C144 C143 P4 109.3(9) . .
C144 C143 H143 108.4 . .
C142 C143 P4 117.9(9) . .
C142 C143 H143 108.4 . .
C142 C143 C144 104.0(11) . .
H65A C65 H65B 107.1 . .
C64 C65 H65A 107.7 . .
C64 C65 H65B 107.7 . .
C66 C65 H65A 107.7 . .
C66 C65 H65B 107.7 . .
C66 C65 C64 118.6(10) . .
C76 C75 P1 124.9(4) . .
C76 C75 C74 120.0 . .
C74 C75 P1 115.1(4) . .
C75 C76 H76 120.0 . .
C75 C76 C77 120.0 . .
C77 C76 H76 120.0 . .
C76 C77 H77 120.0 . .
C78 C77 C76 120.0 . .
C78 C77 H77 120.0 . .
C77 C78 H78 120.0 . .
C77 C78 C79 120.0 . .
C79 C78 H78 120.0 . .
C78 C79 H79 120.0 . .
C78 C79 C74 120.0 . .
C74 C79 H79 120.0 . .
C75 C74 H74 120.0 . .
C79 C74 C75 120.0 . .
C79 C74 H74 120.0 . .
C33 C34 P3 129.3(4) . .
C33 C34 C35 120.0 . .
C35 C34 P3 110.6(4) . .
C34 C33 H33 120.0 . .
C32 C33 C34 120.0 . .
C32 C33 H33 120.0 . .
C33 C32 H32 120.0 . .
C33 C32 C31 120.0 . .
C31 C32 H32 120.0 . .
C32 C31 H31 120.0 . .
C36 C31 C32 120.0 . .
C36 C31 H31 120.0 . .
C31 C36 H36 120.0 . .
C31 C36 C35 120.0 . .
C35 C36 H36 120.0 . .
C34 C35 H35 120.0 . .
C36 C35 C34 120.0 . .
C36 C35 H35 120.0 . .
P2 C64 H64 108.2 . .
C65 C64 P2 111.2(9) . .
C65 C64 H64 108.2 . .
C65 C64 C63 112.0(14) . .
C63 C64 P2 108.9(12) . .
C63 C64 H64 108.2 . .
C105 C106 C101 121.9(11) . .
C105 C106 C107 121.6(14) . .
C107 C106 C101 115.4(14) . .
P1 C66 H66 105.2 . .
C65 C66 P1 112.9(7) . .
C65 C66 H66 105.2 . .
C65 C66 C67 117.8(11) . .
C67 C66 P1 109.5(9) . .
C67 C66 H66 105.2 . .
C66 C67 H67A 109.5 . .
C66 C67 H67B 109.5 . .
C66 C67 H67C 109.5 . .
H67A C67 H67B 109.5 . .
H67A C67 H67C 109.5 . .
H67B C67 H67C 109.5 . .
C47 C48 H48 121.9 . .
C47 C48 C49 116.1(12) . .
C49 C48 H48 121.9 . .
C154 C153 S4 126.4(9) . .
C154 C153 C152 119.1(11) . .
C152 C153 S4 114.4(9) . .
C153 C154 H154 118.3 . .
C153 C154 C155 123.3(13) . .
C155 C154 H154 118.3 . .
C64 C63 H63A 109.5 . .
C64 C63 H63B 109.5 . .
C64 C63 H63C 109.5 . .
H63A C63 H63B 109.5 . .
H63A C63 H63C 109.5 . .
H63B C63 H63C 109.5 . .
C44 C49 C48 129.5(11) . .
C44 C49 C50 124.5(12) . .
C50 C49 C48 105.7(9) . .
C55 C54 P2 109.7(5) . .
C55 C54 C53 120.0 . .
C53 C54 P2 130.1(5) . .
C54 C55 H55 120.0 . .
C54 C55 C56 120.0 . .
C56 C55 H55 120.0 . .
C55 C56 H56 120.0 . .
C55 C56 C51 120.0 . .
C51 C56 H56 120.0 . .
C56 C51 H51 120.0 . .
C52 C51 C56 120.0 . .
C52 C51 H51 120.0 . .
C51 C52 H52 120.0 . .
C51 C52 C53 120.0 . .
C53 C52 H52 120.0 . .
C54 C53 H53 120.0 . .
C52 C53 C54 120.0 . .
C52 C53 H53 120.0 . .
C90 C91 H91 120.0 . .
C90 C91 C92 120.0 . .
C92 C91 H91 120.0 . .
C91 C90 H90 120.0 . .
C91 C90 C89 120.0 . .
C89 C90 H90 120.0 . .
C90 C89 S7 119.8(4) . .
C90 C89 C88 120.0 . .
C88 C89 S7 119.6(4) . .
C89 C88 H88 120.0 . .
C89 C88 C87 120.0 . .
C87 C88 H88 120.0 . .
C88 C87 H87 120.0 . .
C92 C87 C88 120.0 . .
C92 C87 H87 120.0 . .
C91 C92 C93 118.0(7) . .
C87 C92 C91 120.0 . .
C87 C92 C93 122.0(7) . .
P3 C9 H9 109.9 . .
C144 C9 P3 108.7(8) 5 .
C144 C9 H9 109.9 5 .
C144 C9 C8 114.9(11) 5 .
C8 C9 P3 103.1(8) . .
C8 C9 H9 109.9 . .
C147 C146 P4 120.1(6) . .
C147 C146 C145 120.0 . .
C145 C146 P4 118.3(6) . .
C146 C147 H147 120.0 . .
C146 C147 C148 120.0 . .
C148 C147 H147 120.0 . .
C147 C148 H148 120.0 . .
C147 C148 C149 120.0 . .
C149 C148 H148 120.0 . .
C148 C149 H149 120.0 . .
C150 C149 C148 120.0 . .
C150 C149 H149 120.0 . .
C149 C150 H150 120.0 . .
C145 C150 C149 120.0 . .
C145 C150 H150 120.0 . .
C146 C145 H145 120.0 . .
C150 C145 C146 120.0 . .
C150 C145 H145 120.0 . .
C141 C140 H140 120.0 . .
C141 C140 C139 120.0 . .
C139 C140 H140 120.0 . .
C140 C141 P4 119.3(5) . .
C140 C141 C136 120.0 . .
C136 C141 P4 119.6(5) . .
C141 C136 H136 120.0 . .
C137 C136 C141 120.0 . .
C137 C136 H136 120.0 . .
C136 C137 H137 120.0 . .
C136 C137 C138 120.0 . .
C138 C137 H137 120.0 . .
C137 C138 H138 120.0 . .
C139 C138 C137 120.0 . .
C139 C138 H138 120.0 . .
C140 C139 H139 120.0 . .
C138 C139 C140 120.0 . .
C138 C139 H139 120.0 . .
F41 C135 C134 107.5(9) . .
F42 C135 C134 106.4(9) . .
F42 C135 F41 113.4(11) . .
F40 C135 C134 101.4(10) . .
F40 C135 F41 117.8(10) . .
F40 C135 F42 109.2(10) . .
C153 C152 H152 126.0 . .
C151 C152 C153 107.9(11) . .
C151 C152 H152 126.1 . .
C151 C156 C155 110.6(12) . .
C151 C156 C157 118.0(11) . .
C155 C156 C157 129.5(13) . .
C143 C144 H14A 108.6 . .
C143 C144 H14B 108.6 . .
C9 C144 C143 114.7(10) 9 .
C9 C144 H14A 108.6 9 .
C9 C144 H14B 108.6 9 .
H14A C144 H14B 107.6 . .
C152 C151 H151 113.8 . .
C156 C151 C152 132.4(12) . .
C156 C151 H151 113.8 . .
F27 C30 C29 108.9(8) . .
F27 C30 F26 115.3(9) . .
F26 C30 C29 103.9(9) . .
F25 C30 C29 116.3(9) . .
F25 C30 F27 104.4(11) . .
F25 C30 F26 108.6(12) . .
C9 C8 H8A 109.5 . .
C9 C8 H8B 109.5 . .
C9 C8 H8C 109.5 . .
H8A C8 H8B 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
C154 C155 H155 116.8 . .
C156 C155 C154 126.3(15) . .
C156 C155 H155 116.8 . .
C113 C114 F39 92.7(9) . .
F37 C114 C113 107.4(13) . .
F37 C114 F39 83.1(11) . .
F38 C114 C113 137.2(15) . .
F38 C114 F39 99.5(12) . .
F38 C114 F37 114.7(12) . .
F21 C43 C42 118.9(13) . .
F21 C43 F19 96.3(13) . .
F19 C43 C42 112.5(13) . .
F20 C43 C42 111.7(14) . .
F20 C43 F21 108.6(15) . .
F20 C43 F19 107.3(14) . .
F13 C86 C85 122.6(9) . .
F14 C86 C85 110.4(9) . .
F14 C86 F13 105.8(9) . .
F15 C86 C85 100.8(8) . .
F15 C86 F13 108.7(9) . .
F15 C86 F14 107.7(9) . .
F10 C107 C106 122.4(17) . .
F10 C107 F12 101.7(12) . .
F10 C107 F11 92.9(13) . .
F12 C107 C106 116.3(16) . .
F12 C107 F11 100.2(15) . .
F11 C107 C106 118.7(14) . .
C143 C142 H14C 109.5 . .
C143 C142 H14D 109.5 . .
C143 C142 H14E 109.5 . .
H14C C142 H14D 109.5 . .
H14C C142 H14E 109.5 . .
H14D C142 H14E 109.5 . .
F24 C93 C92 106.7(11) . .
F23 C93 C92 115.5(13) . .
F23 C93 F24 109.5(14) . .
F23 C93 F22 100.0(12) . .
F22 C93 C92 118.0(13) . .
F22 C93 F24 106.5(14) . .
C99 C100 F36 95.4(9) . .
C99 C100 F35 94.6(13) . .
F34 C100 C99 140.5(19) . .
F34 C100 F36 122.4(18) . .
F34 C100 F35 102(2) . .
F35 C100 F36 79.6(12) . .
F1 C157 C156 109.3(9) . .
F1 C157 F3 108.6(9) . .
F1 C157 F2 112.2(11) . .
F3 C157 C156 103.1(9) . .
F3 C157 F2 110.2(11) . .
F2 C157 C156 113.0(10) . .
F6 C128 C127 106.4(13) . .
F6 C128 F4 100.8(17) . .
F5 C128 C127 116.6(16) . .
F5 C128 F6 117.7(15) . .
F5 C128 F4 103.5(14) . .
F4 C128 C127 110.6(12) . .
C120 C121 F8 119.0(10) . .
F7 C121 C120 101.8(9) . .
F7 C121 F9 103.0(8) . .
F7 C121 F8 113.3(10) . .
F9 C121 C120 108.3(8) . .
F9 C121 F8 110.1(12) . .
F32 C50 C49 112.9(8) . .
F32 C50 F33 95.2(7) . .
F31 C50 F32 102.1(8) . .
F31 C50 C49 116.4(8) . .
F31 C50 F33 99.8(8) . .
F33 C50 C49 126.3(9) . .
F16 C7 C6 113.6(8) . .
F16 C7 F18 109.6(7) . .
F17 C7 C6 106.0(8) . .
F17 C7 F16 104.7(8) . .
F17 C7 F18 104.3(9) . .
F18 C7 C6 117.4(9) . .
F29 C23 C22 110.1(12) . .
F28 C23 C22 111.7(14) . .
F28 C23 F29 101.5(13) . .
F30 C23 C22 110.2(14) . .
F30 C23 F29 109.1(13) . .
F30 C23 F28 113.9(12) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag13 Ag12 2.8828(9) .
Ag13 Ag11 2.7760(9) .
Ag13 Ag2 2.8039(9) 9
Ag13 Ag22 2.7932(9) 5
Ag13 Ag15 2.7754(10) .
Ag13 Ag20 2.8992(10) 5
Ag13 Ag9 2.7779(9) .
Ag13 Ag1 2.8749(9) 9
Ag13 Ag16 2.8743(9) .
Ag13 Ag14 2.9215(10) .
Ag13 Ag24 2.9023(10) .
Ag12 Ag12 2.8587(11) 5
Ag12 Ag12 2.8587(11) 9
Ag12 Ag11 2.8101(9) 9
Ag12 Ag11 2.7787(9) .
Ag12 Ag2 2.8374(9) 9
Ag12 Ag15 2.8564(9) .
Ag12 Ag16 2.8903(9) .
Ag12 Ag3 2.8920(11) .
Ag12 Ag18 3.2517(11) .
Ag12 Ag18 3.3484(12) 5
Ag12 Ag17 2.9596(14) .
Ag11 Ag12 2.8102(9) 5
Ag11 Ag2 2.7633(9) .
Ag11 Ag22 2.8943(9) 5
Ag11 Ag15 2.8996(9) .
Ag11 Ag20 2.9152(9) 5
Ag11 Ag16 3.2299(9) 5
Ag11 Ag21 2.8166(10) 5
Ag11 Ag19 2.9366(10) 5
Ag11 Ag18 2.7949(11) 5
Ag2 Ag13 2.8037(9) 5
Ag2 Ag12 2.8373(9) 5
Ag2 Ag22 2.7956(9) 5
Ag2 Ag1 2.7568(9) .
Ag2 Ag4 2.8168(9) 9
Ag2 Ag23 2.8123(10) 5
Ag2 Ag16 2.8036(9) 5
Ag2 Ag3 2.8986(7) .
Ag2 Ag21 2.9966(10) 5
Ag2 Ag24 2.9985(10) 5
Ag22 Ag13 2.7933(9) 9
Ag22 Ag11 2.8945(9) 9
Ag22 Ag2 2.7956(9) 9
Ag22 Ag20 2.7894(9) .
Ag22 Ag9 2.8664(10) 9
Ag22 Ag1 2.7795(10) 5
Ag22 Ag4 2.8948(9) 5
Ag22 Ag23 2.8461(10) .
Ag22 Ag21 2.9189(10) .
Ag22 Ag25 2.9504(10) .
Ag22 Ag7 2.7843(11) 9
Ag15 Ag16 3.0362(10) .
Ag15 Ag14 3.3390(11) .
Ag15 Ag19 3.2244(11) 5
Ag15 Ag18 2.8487(12) 5
Ag15 S8 2.479(2) .
Ag15 S4 2.746(3) .
Ag20 Ag13 2.8992(9) 9
Ag20 Ag11 2.9153(9) 9
Ag20 Ag9 2.9533(10) 9
Ag20 Ag14 2.9256(10) 9
Ag20 Ag21 3.0397(10) .
Ag20 Ag19 2.9950(10) .
Ag20 Ag25 3.0723(10) .
Ag20 S2 2.548(3) .
Ag9 Ag22 2.8666(10) 5
Ag9 Ag20 2.9534(10) 5
Ag9 Ag1 2.9341(10) 9
Ag9 Ag14 2.9657(10) .
Ag9 Ag24 3.0661(10) .
Ag9 Ag25 2.9715(11) 5
Ag9 Ag8 2.9508(11) .
Ag9 S10 2.551(3) .
Ag1 Ag13 2.8748(9) 5
Ag1 Ag22 2.7795(10) 9
Ag1 Ag9 2.9341(10) 5
Ag1 Ag4 2.8165(10) 9
Ag1 Ag4 2.7807(10) .
Ag1 Ag23 3.2508(10) 5
Ag1 Ag24 2.8242(10) 5
Ag1 Ag8 2.9016(10) 5
Ag1 Ag7 2.8619(10) 5
Ag1 Ag6 2.7796(13) 5
Ag4 Ag2 2.8166(9) 5
Ag4 Ag22 2.8949(9) 9
Ag4 Ag1 2.8164(10) 5
Ag4 Ag4 2.8559(12) 9
Ag4 Ag4 2.8558(12) 5
Ag4 Ag23 2.8529(10) 9
Ag4 Ag3 2.8859(12) .
Ag4 Ag5 2.9247(14) .
Ag4 Ag7 2.9320(11) 5
Ag4 Ag6 3.2101(13) 9
Ag23 Ag2 2.8123(10) 9
Ag23 Ag1 3.2509(10) 9
Ag23 Ag4 2.8532(10) 5
Ag23 Ag24 3.0982(11) .
Ag23 Ag7 3.0704(12) 9
Ag23 S14 2.537(3) .
Ag23 S6 2.745(3) .
Ag16 Ag11 3.2296(9) 9
Ag16 Ag2 2.8035(9) 9
Ag16 Ag21 3.0060(10) .
Ag16 Ag24 3.3165(10) .
Ag16 S5 2.554(3) .
Ag16 S7 2.714(3) .
Ag3 Ag12 2.8920(11) 5
Ag3 Ag12 2.8920(11) 9
Ag3 Ag2 2.8986(7) 9
Ag3 Ag2 2.8986(7) 5
Ag3 Ag4 2.8858(12) 5
Ag3 Ag4 2.8858(12) 9
Ag14 Ag20 2.9254(10) 5
Ag14 S9 2.505(3) .
Ag14 S8 2.646(3) .
Ag14 S7 2.584(3) .
Ag21 Ag11 2.8169(10) 9
Ag21 Ag2 2.9966(10) 9
Ag21 S5 2.507(3) .
Ag21 S6 2.449(3) .
Ag24 Ag2 2.9983(10) 9
Ag24 Ag1 2.8241(10) 9
Ag24 Ag8 3.3774(11) .
Ag24 S14 2.514(3) .
Ag24 S7 2.439(3) .
Ag19 Ag11 2.9369(10) 9
Ag19 Ag15 3.2246(11) 9
Ag19 Ag28 3.0299(10) 9
Ag19 Ag18 2.9001(12) .
Ag19 S5 2.543(3) .
Ag19 S3 2.556(3) .
Ag19 S2 2.590(3) .
Ag25 Ag9 2.9715(11) 9
Ag25 Ag7 3.3073(12) 9
Ag25 S6 2.579(3) .
Ag25 S1 2.525(3) .
Ag25 S11 2.676(3) 9
Ag8 Ag1 2.9014(10) 9
Ag8 Ag7 3.1633(12) .
Ag8 Ag26 2.9389(11) .
Ag8 Ag6 2.9168(14) .
Ag8 S14 2.579(3) .
Ag8 S10 2.624(3) .
Ag8 S12 2.592(3) .
Ag5 Ag4 2.9246(14) 5
Ag5 Ag4 2.9246(14) 9
Ag5 Ag6 2.7760(11) 9
Ag5 Ag6 2.7760(11) 5
Ag5 Ag6 2.7759(11) .
Ag5 S13 2.715(3) 9
Ag5 S13 2.715(3) 5
Ag5 S13 2.715(3) .
Ag28 Ag19 3.0301(10) 5
Ag28 S3 2.640(3) 5
Ag28 S2 2.882(3) 5
Ag28 S8 2.573(3) .
Ag28 P1 2.394(3) .
Ag29 S9 2.742(3) 9
Ag29 S10 2.883(3) 9
Ag29 S1 2.561(3) .
Ag29 P4 2.441(4) .
Ag7 Ag22 2.7844(11) 5
Ag7 Ag1 2.8617(10) 9
Ag7 Ag4 2.9320(11) 9
Ag7 Ag23 3.0704(12) 5
Ag7 Ag25 3.3072(12) 5
Ag7 Ag6 2.9712(16) .
Ag7 S11 2.533(3) .
Ag7 S13 2.783(3) 5
Ag27 S2 2.815(3) 5
Ag27 S9 2.562(3) .
Ag27 S1 2.651(3) 5
Ag27 P2 2.468(4) .
Ag18 Ag12 3.3484(11) 9
Ag18 Ag11 2.7949(11) 9
Ag18 Ag15 2.8490(12) 9
Ag18 Ag17 2.6756(9) .
Ag18 S3 2.538(3) .
Ag18 S4 2.501(3) .
Ag17 Ag12 2.9596(14) 9
Ag17 Ag12 2.9596(14) 5
Ag17 Ag18 2.6758(9) 9
Ag17 Ag18 2.6758(9) 5
Ag17 S4 2.736(3) .
Ag17 S4 2.736(3) 9
Ag17 S4 2.736(3) 5
Ag26 S10 2.783(3) .
Ag26 S12 2.645(3) .
Ag26 S11 2.587(3) .
Ag26 P3 2.447(3) .
Ag6 Ag1 2.7795(13) 9
Ag6 Ag4 3.2103(13) 5
Ag6 S12 2.612(3) .
Ag6 S13 2.469(4) .
S5 C103 1.760(10) .
S3 Ag28 2.640(3) 9
S3 C124 1.789(7) .
S2 Ag28 2.882(3) 9
S2 Ag27 2.816(3) 9
S2 C110 1.766(6) .
S14 C46 1.744(10) .
S9 Ag29 2.742(3) 5
S9 C82 1.794(7) .
S8 C117 1.783(6) .
S6 C96 1.758(6) .
S10 Ag29 2.883(3) 5
S10 C39 1.693(12) .
S1 Ag27 2.651(3) 9
S1 C131 1.755(6) .
P1 C68 1.839(8) .
P1 C75 1.765(8) .
P1 C66 1.822(13) .
S4 C153 1.799(12) .
S12 C26 1.686(8) .
S11 Ag25 2.676(3) 5
S11 C3 1.769(7) .
S7 C89 1.780(7) .
P3 C11 1.807(8) .
P3 C34 1.849(9) .
P3 C9 1.876(13) .
S13 Ag7 2.783(3) 9
S13 C19 1.730(9) .
P2 C62 1.704(12) .
P2 C64 1.865(17) .
P2 C54 1.761(9) .
P4 C143 1.755(14) .
P4 C146 1.798(10) .
P4 C141 1.861(10) .
C99 C94 1.3900 .
C99 C98 1.3900 .
C99 C100 1.502(14) .
C94 H94 0.9300 .
C94 C95 1.3900 .
C95 H95 0.9300 .
C95 C96 1.3900 .
C96 C97 1.3900 .
C97 H97 0.9300 .
C97 C98 1.3900 .
C98 H98 0.9300 .
C40 H40 0.9300 .
C40 C41 1.333(16) .
C40 C39 1.320(16) .
C103 C104 1.348(12) .
C103 C102 1.420(15) .
C37 H37 0.9300 .
C37 C42 1.295(18) .
C37 C38 1.480(17) .
C25 H25 0.9300 .
C25 C26 1.3900 .
C25 C24 1.3900 .
C26 C27 1.3900 .
C27 H27 0.9300 .
C27 C28 1.3900 .
C28 H28 0.9300 .
C28 C29 1.3900 .
C29 C24 1.3900 .
C29 C30 1.561(11) .
C24 H24 0.9300 .
C112 H112 0.9300 .
C112 C113 1.3900 .
C112 C111 1.3900 .
C113 C108 1.3900 .
C113 C114 1.498(14) .
C108 H108 0.9300 .
C108 C109 1.3900 .
C109 H109 0.9300 .
C109 C110 1.3900 .
C110 C111 1.3900 .
C111 H111 0.9300 .
C123 H123 0.9300 .
C123 C124 1.3900 .
C123 C122 1.3900 .
C124 C125 1.3900 .
C125 H125 0.9300 .
C125 C126 1.3900 .
C126 H126 0.9300 .
C126 C127 1.3900 .
C127 C122 1.3900 .
C127 C128 1.515(12) .
C122 H122 0.9300 .
C41 H41 0.9300 .
C41 C42 1.390(18) .
C47 H47 0.9300 .
C47 C46 1.454(16) .
C47 C48 1.40(2) .
C115 H115 0.9300 .
C115 C116 1.3900 .
C115 C120 1.3900 .
C116 H116 0.9300 .
C116 C117 1.3900 .
C117 C118 1.3900 .
C118 H118 0.9300 .
C118 C119 1.3900 .
C119 H119 0.9300 .
C119 C120 1.3900 .
C120 C121 1.503(12) .
C4 H4 0.9300 .
C4 C3 1.3900 .
C4 C5 1.3900 .
C3 C2 1.3900 .
C2 H2 0.9300 .
C2 C1 1.3900 .
C1 H1 0.9300 .
C1 C6 1.3900 .
C6 C5 1.3900 .
C6 C7 1.437(10) .
C5 H5 0.9300 .
C44 H44 0.9300 .
C44 C45 1.437(18) .
C44 C49 1.259(16) .
C131 C132 1.3900 .
C131 C130 1.3900 .
C132 H132 0.9300 .
C132 C133 1.3900 .
C133 H133 0.9300 .
C133 C134 1.3900 .
C134 C129 1.3900 .
C134 C135 1.648(15) .
C129 H129 0.9300 .
C129 C130 1.3900 .
C130 H130 0.9300 .
C46 C45 1.401(17) .
C39 C38 1.473(16) .
C105 H105 0.9300 .
C105 C104 1.400(14) .
C105 C106 1.333(18) .
C81 H81 0.9300 .
C81 C82 1.3900 .
C81 C80 1.3900 .
C82 C83 1.3900 .
C83 H83 0.9300 .
C83 C84 1.3900 .
C84 H84 0.9300 .
C84 C85 1.3900 .
C85 C80 1.3900 .
C85 C86 1.464(11) .
C80 H80 0.9300 .
C69 H69 0.9300 .
C69 C68 1.3900 .
C69 C70 1.3900 .
C68 C73 1.3900 .
C73 H73 0.9300 .
C73 C72 1.3900 .
C72 H72 0.9300 .
C72 C71 1.3900 .
C71 H71 0.9300 .
C71 C70 1.3900 .
C70 H70 0.9300 .
C104 H104 0.9300 .
C45 H45 0.9300 .
C42 C43 1.49(2) .
C19 C18 1.3900 .
C19 C20 1.3900 .
C18 H18 0.9300 .
C18 C17 1.3900 .
C17 H17 0.9300 .
C17 C22 1.3900 .
C22 C21 1.3900 .
C22 C23 1.508(14) .
C21 H21 0.9300 .
C21 C20 1.3900 .
C20 H20 0.9300 .
C101 H101 0.9300 .
C101 C102 1.289(17) .
C101 C106 1.504(19) .
C38 H38 0.9300 .
C102 H102 0.9300 .
C11 C12 1.3900 .
C11 C16 1.3900 .
C12 H12 0.9300 .
C12 C13 1.3900 .
C13 H13 0.9300 .
C13 C14 1.3900 .
C14 H14 0.9300 .
C14 C15 1.3900 .
C15 H15 0.9300 .
C15 C16 1.3900 .
C16 H16 0.9300 .
C62 C61 1.3900 .
C62 C57 1.3900 .
C61 H61 0.9300 .
C61 C60 1.3900 .
C60 H60 0.9300 .
C60 C59 1.3900 .
C59 H59 0.9300 .
C59 C58 1.3900 .
C58 H58 0.9300 .
C58 C57 1.3900 .
C57 H57 0.9300 .
C143 H143 0.9800 .
C143 C144 1.693(19) .
C143 C142 1.614(19) .
F10 C107 1.30(2) .
C65 H65A 0.9700 .
C65 H65B 0.9700 .
C65 C64 1.52(2) .
C65 C66 1.433(16) .
C75 C76 1.3900 .
C75 C74 1.3900 .
C76 H76 0.9300 .
C76 C77 1.3900 .
C77 H77 0.9300 .
C77 C78 1.3900 .
C78 H78 0.9300 .
C78 C79 1.3900 .
C79 H79 0.9300 .
C79 C74 1.3900 .
C74 H74 0.9300 .
C34 C33 1.3900 .
C34 C35 1.3900 .
C33 H33 0.9300 .
C33 C32 1.3900 .
C32 H32 0.9300 .
C32 C31 1.3900 .
C31 H31 0.9300 .
C31 C36 1.3900 .
C36 H36 0.9300 .
C36 C35 1.3900 .
C35 H35 0.9300 .
C64 H64 0.9800 .
C64 C63 1.56(2) .
C106 C107 1.427(19) .
C66 H66 0.9800 .
C66 C67 1.473(17) .
C67 H67A 0.9600 .
C67 H67B 0.9600 .
C67 H67C 0.9600 .
C48 H48 0.9300 .
C48 C49 1.51(2) .
F32 C50 1.373(12) .
F21 C43 1.187(19) .
F39 C114 1.672(19) .
C153 C154 1.282(17) .
C153 C152 1.489(16) .
F19 C43 1.345(18) .
F37 C114 1.37(2) .
F34 C100 1.000(17) .
C154 H154 0.9300 .
C154 C155 1.334(19) .
F13 C86 1.453(13) .
F38 C114 1.19(2) .
F20 C43 1.123(18) .
F14 C86 1.428(14) .
C63 H63A 0.9600 .
C63 H63B 0.9600 .
C63 H63C 0.9600 .
C49 C50 1.472(10) .
F36 C100 1.61(2) .
C54 C55 1.3900 .
C54 C53 1.3900 .
C55 H55 0.9300 .
C55 C56 1.3900 .
C56 H56 0.9300 .
C56 C51 1.3900 .
C51 H51 0.9300 .
C51 C52 1.3900 .
C52 H52 0.9300 .
C52 C53 1.3900 .
C53 H53 0.9300 .
C91 H91 0.9300 .
C91 C90 1.3900 .
C91 C92 1.3900 .
C90 H90 0.9300 .
C90 C89 1.3900 .
C89 C88 1.3900 .
C88 H88 0.9300 .
C88 C87 1.3900 .
C87 H87 0.9300 .
C87 C92 1.3900 .
C92 C93 1.507(14) .
F31 C50 1.366(12) .
C9 H9 0.9800 .
C9 C144 1.393(17) 5
C9 C8 1.720(19) .
C146 C147 1.3900 .
C146 C145 1.3900 .
C147 H147 0.9300 .
C147 C148 1.3900 .
C148 H148 0.9300 .
C148 C149 1.3900 .
C149 H149 0.9300 .
C149 C150 1.3900 .
C150 H150 0.9300 .
C150 C145 1.3900 .
C145 H145 0.9300 .
C140 H140 0.9300 .
C140 C141 1.3900 .
C140 C139 1.3900 .
C141 C136 1.3900 .
C136 H136 0.9300 .
C136 C137 1.3900 .
C137 H137 0.9300 .
C137 C138 1.3900 .
C138 H138 0.9300 .
C138 C139 1.3900 .
C139 H139 0.9300 .
F35 C100 1.55(3) .
F24 C93 1.29(2) .
F41 C135 1.400(14) .
F23 C93 1.24(2) .
F42 C135 1.400(12) .
F40 C135 1.393(13) .
C152 H152 0.9300 .
C152 C151 1.453(19) .
F27 C30 1.369(12) .
C156 C151 1.29(2) .
C156 C155 1.325(18) .
C156 C157 1.501(14) .
C144 C9 1.394(17) 9
C144 H14A 0.9700 .
C144 H14B 0.9700 .
F26 C30 1.384(11) .
C151 H151 0.9300 .
C30 F25 1.360(12) .
C8 H8A 0.9600 .
C8 H8B 0.9600 .
C8 H8C 0.9600 .
F7 C121 1.391(12) .
F22 C93 1.281(16) .
C155 H155 0.9300 .
F12 C107 1.31(2) .
C86 F15 1.427(13) .
F33 C50 1.383(9) .
F9 C121 1.391(10) .
F1 C157 1.415(12) .
F3 C157 1.417(13) .
C107 F11 1.33(2) .
C142 H14C 0.9600 .
C142 H14D 0.9600 .
C142 H14E 0.9600 .
C157 F2 1.421(13) .
C128 F6 1.30(3) .
C128 F5 1.27(2) .
C128 F4 1.44(2) .
C121 F8 1.51(3) .
F16 C7 1.350(9) .
F17 C7 1.336(9) .
F18 C7 1.366(10) .
F29 C23 1.49(2) .
C23 F28 1.46(2) .
C23 F30 1.38(2) .
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.100 -0.044 0.268 40722 8392 ' '
2 0.371 0.038 0.265 8 0 ' '
3 0.629 0.038 0.735 8 0 ' '
4 0.337 0.063 0.163 8 2 ' '
5 0.663 0.063 0.837 8 2 ' '
6 0.765 0.129 0.462 8 0 ' '
7 0.235 0.129 0.538 8 0 ' '
8 0.063 0.163 0.337 8 1 ' '
9 0.663 0.163 0.437 8 1 ' '
10 0.337 0.163 0.563 8 1 ' '
11 0.937 0.163 0.663 8 1 ' '
12 0.538 0.235 0.129 8 1 ' '
13 0.462 0.235 0.871 8 1 ' '
14 0.038 0.265 0.371 8 1 ' '
15 0.962 0.265 0.629 8 1 ' '
16 0.163 0.337 0.063 8 1 ' '
17 0.563 0.337 0.163 8 2 ' '
18 0.437 0.337 0.837 8 1 ' '
19 0.837 0.337 0.937 8 1 ' '
20 0.265 0.371 0.038 8 0 ' '
21 0.735 0.371 0.962 8 0 ' '
22 0.837 0.437 0.337 8 1 ' '
23 0.163 0.437 0.663 8 1 ' '
24 0.871 0.462 0.235 8 0 ' '
25 0.129 0.462 0.765 8 0 ' '
26 0.129 0.538 0.235 8 0 ' '
27 0.871 0.538 0.765 8 0 ' '
28 0.163 0.563 0.337 8 2 ' '
29 0.837 0.563 0.663 8 2 ' '
30 0.735 0.629 0.038 8 0 ' '
31 0.265 0.629 0.962 8 0 ' '
32 0.837 0.663 0.063 8 1 ' '
33 0.437 0.663 0.163 8 1 ' '
34 0.563 0.663 0.837 8 1 ' '
35 0.163 0.663 0.937 8 1 ' '
36 0.962 0.735 0.371 8 1 ' '
37 0.038 0.735 0.629 8 1 ' '
38 0.462 0.765 0.129 8 1 ' '
39 0.538 0.765 0.871 8 1 ' '
40 0.937 0.837 0.337 8 1 ' '
41 0.337 0.837 0.437 8 1 ' '
42 0.663 0.837 0.563 8 1 ' '
43 0.063 0.837 0.663 8 2 ' '
44 0.235 0.871 0.462 8 0 ' '
45 0.765 0.871 0.538 8 0 ' '
46 0.663 0.937 0.163 8 1 ' '
47 0.337 0.937 0.837 8 1 ' '
48 0.629 0.962 0.265 8 0 ' '
49 0.371 0.962 0.735 8 0 ' '
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
-1.9996 -0.9998 -5.0000 0.0783 -0.0559 0.1315
1.9999 -1.0002 5.0001 -0.1098 0.0819 -0.0883
0.0001 -1.0000 0.0000 -0.0158 0.0130 0.0216
-0.0001 1.0000 -0.0000 0.0158 -0.0130 -0.0216
-0.9999 -1.0000 -0.0000 -0.0262 -0.0136 0.0299
0.9999 1.0000 0.0000 0.0262 0.0136 -0.0299
1.0005 -1.9997 -5.0000 0.0938 0.0368 0.1281
5.0002 -0.9999 0.0000 0.0364 0.1459 -0.0201
-5.0002 0.9999 -0.0000 -0.0364 -0.1459 0.0201
-0.0008 4.9998 4.0000 -0.0131 -0.0524 -0.1826
-2.0003 -0.0003 5.0000 -0.1358 -0.0374 -0.0766
