#------------------------------------------------------------------------------
#$Date: 2016-03-26 03:03:07 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180166 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/62/7106276.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_7106276
loop_
_publ_author_name
'Mihai Raducan'
'Carles Rodriguez-Escrich'
'Xacobe C. Cambeiro'
'Eduardo C. Escudero-Adan'
'Miquel A. Pericas'
'Antonio M. Echavarren'
_publ_section_title
;
 A Multipurpose Gold(I) Precatalyst
;
_journal_name_full               Chem.Commun.
_journal_page_first              4893
_journal_paper_doi               10.1039/c1cc10293a
_journal_volume                  47
_journal_year                    2011
_chemical_absolute_configuration ad
_chemical_formula_sum            'C188 H244 Au4 F24 N4 O28 P4 Sb4'
_chemical_formula_weight         4862.62
_chemical_name_systematic
;
?
;
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 93.39
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   18.0870(8)
_cell_length_b                   12.98300(6)
_cell_length_c                   51.7750(19)
_cell_measurement_reflns_used    9294
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.80
_cell_measurement_theta_min      2.45
_cell_volume                     12136.7(7)
_computing_cell_refinement       'Bruker APEX2 v2009.11-0'
_computing_data_collection       MxCuBE
_computing_data_reduction        'Bruker SAINT V7.60A'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_solution    Sir2007
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 512
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.959
_diffrn_measurement_device_type  'ESRF BM-16'
_diffrn_measurement_method
;
Fullsphere data collection, phi scans
;
_diffrn_radiation_monochromator  Si111
_diffrn_radiation_source         Synchrotron
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.73780
_diffrn_reflns_av_R_equivalents  0.0940
_diffrn_reflns_av_sigmaI/netI    0.1664
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       64
_diffrn_reflns_limit_l_min       -68
_diffrn_reflns_number            103594
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         29.60
_diffrn_reflns_theta_min         0.82
_exptl_absorpt_coefficient_mu    2.944
_exptl_absorpt_correction_T_max  0.94
_exptl_absorpt_correction_T_min  0.88
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
;
SADABS Version 2008/1 Bruker-Nonius
Blessing, Acta Cryst. (1995) A51 33-38
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.331
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Needle
_exptl_crystal_F_000             4840
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.02
_platon_squeeze_details
;
A.L.Spek (2010) PLATON, A Multipurpose Crystallographic Tool,
Utrecht University, Utrecht, The Netherlands.
Squeeze: P. van der Sluis & A.L. Spek (1990).
Acta Cryst. A46, 194-201).

;
_refine_diff_density_max         3.745
_refine_diff_density_min         -4.834
_refine_diff_density_rms         0.235
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.093(7)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.090
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2284
_refine_ls_number_reflns         57720
_refine_ls_number_restraints     3287
_refine_ls_restrained_S_all      1.084
_refine_ls_R_factor_all          0.1494
_refine_ls_R_factor_gt           0.1023
_refine_ls_shift/su_max          0.016
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1568P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2732
_refine_ls_wR_factor_ref         0.2947
_reflns_number_gt                34709
_reflns_number_total             57720
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1cc10293a.txt
_cod_data_source_block           mr470e2_0m
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_H-M      P2(1)
_cod_database_code               7106276
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z'
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1A C 0.3725(4) 0.7834(5) 0.58355(12) 0.0242(7) Uani 1 1 d U . .
C2A C 0.4368(4) 0.7289(5) 0.58320(13) 0.0279(8) Uani 1 1 d U . .
H2AA H 0.4773 0.7512 0.5936 0.033 Uiso 1 1 calc R . .
C3A C 0.4450(4) 0.6418(5) 0.56804(13) 0.0297(8) Uani 1 1 d U . .
H3AA H 0.4889 0.6044 0.5686 0.036 Uiso 1 1 calc R . .
C4A C 0.3845(4) 0.6139(5) 0.55221(13) 0.0292(7) Uani 1 1 d U . .
C5A C 0.3069(4) 0.5355(5) 0.52616(15) 0.0365(9) Uani 1 1 d U . .
H5AA H 0.2820 0.4763 0.5331 0.044 Uiso 1 1 calc R . .
H5AB H 0.3030 0.5301 0.5074 0.044 Uiso 1 1 calc R . .
C6A C 0.3231(4) 0.6666(5) 0.55229(13) 0.0273(7) Uani 1 1 d U . .
C7A C 0.3087(4) 0.7526(4) 0.56765(12) 0.0239(7) Uani 1 1 d U . .
C8A C 0.2353(4) 0.8065(5) 0.56640(13) 0.0256(7) Uani 1 1 d U . .
C9A C 0.2286(4) 0.8895(5) 0.54933(14) 0.0323(7) Uani 1 1 d U . .
C10A C 0.2467(4) 1.0193(6) 0.52269(16) 0.0423(9) Uani 1 1 d U . .
H10A H 0.2506 1.0210 0.5041 0.051 Uiso 1 1 calc R . .
H10B H 0.2733 1.0778 0.5302 0.051 Uiso 1 1 calc R . .
C11A C 0.1613(4) 0.9462(5) 0.54647(15) 0.0352(7) Uani 1 1 d U . .
C12A C 0.1020(4) 0.9205(6) 0.56051(13) 0.0317(8) Uani 1 1 d U . .
H12A H 0.0591 0.9601 0.5594 0.038 Uiso 1 1 calc R . .
C13A C 0.1072(4) 0.8327(5) 0.57669(13) 0.0285(8) Uani 1 1 d U . .
H13A H 0.0667 0.8116 0.5856 0.034 Uiso 1 1 calc R . .
C14A C 0.1752(4) 0.7768(5) 0.57929(13) 0.0257(7) Uani 1 1 d U . .
C15A C 0.38922(7) 1.00740(11) 0.58527(3) 0.0380(8) Uani 1 1 d GDU . .
C16A C 0.42552(8) 0.99769(12) 0.56247(3) 0.0405(8) Uani 1 1 d GDU . .
H16A H 0.4297 0.9334 0.5548 0.049 Uiso 1 1 calc R . .
C17A C 0.45559(8) 1.08406(14) 0.55118(3) 0.0448(7) Uani 1 1 d GDU . .
C18A C 0.44936(8) 1.18013(12) 0.56270(3) 0.0477(7) Uani 1 1 d GDU . .
C19A C 0.41307(9) 1.18984(11) 0.58550(3) 0.0461(7) Uani 1 1 d GDU . .
C20A C 0.38300(8) 1.10347(12) 0.59679(3) 0.0403(9) Uani 1 1 d GDU . .
H20A H 0.3587 1.1100 0.6120 0.048 Uiso 1 1 calc R . .
C21A C 0.49704(7) 1.06478(11) 0.52477(3) 0.0486(9) Uani 1 1 d DU . .
C22A C 0.55524(12) 0.98135(14) 0.53212(8) 0.0597(15) Uani 1 1 d DU . .
H22A H 0.5824 0.9648 0.5173 0.090 Uiso 1 1 calc R . .
H22B H 0.5308 0.9207 0.5379 0.090 Uiso 1 1 calc R . .
H22C H 0.5888 1.0066 0.5457 0.090 Uiso 1 1 calc R . .
C23A C 0.53958(15) 1.16285(14) 0.51713(8) 0.0560(14) Uani 1 1 d DU . .
H23A H 0.5050 1.2178 0.5134 0.084 Uiso 1 1 calc R . .
H23B H 0.5663 1.1488 0.5021 0.084 Uiso 1 1 calc R . .
H23C H 0.5737 1.1827 0.5312 0.084 Uiso 1 1 calc R . .
C24A C 0.44061(14) 1.0227(3) 0.50403(5) 0.0554(15) Uani 1 1 d DU . .
H24A H 0.4029 1.0735 0.5002 0.083 Uiso 1 1 calc R . .
H24B H 0.4183 0.9612 0.5103 0.083 Uiso 1 1 calc R . .
H24C H 0.4653 1.0072 0.4886 0.083 Uiso 1 1 calc R . .
C25A C 0.3891(4) 1.2789(5) 0.52702(10) 0.0538(17) Uani 1 1 d DU . .
H25A H 0.3934 1.3436 0.5183 0.081 Uiso 1 1 calc R . .
H25B H 0.3424 1.2760 0.5349 0.081 Uiso 1 1 calc R . .
H25C H 0.3919 1.2236 0.5148 0.081 Uiso 1 1 calc R . .
C26A C 0.40497(8) 1.29595(13) 0.59919(3) 0.0521(9) Uani 1 1 d DU . .
C27A C 0.48000(12) 1.3535(3) 0.60254(10) 0.0673(16) Uani 1 1 d DU . .
H27A H 0.4730 1.4179 0.6112 0.101 Uiso 1 1 calc R . .
H27B H 0.4986 1.3661 0.5859 0.101 Uiso 1 1 calc R . .
H27C H 0.5148 1.3121 0.6127 0.101 Uiso 1 1 calc R . .
C28A C 0.35697(16) 1.3723(2) 0.58580(7) 0.0599(14) Uani 1 1 d DU . .
H28A H 0.3560 1.4340 0.5960 0.090 Uiso 1 1 calc R . .
H28B H 0.3077 1.3451 0.5833 0.090 Uiso 1 1 calc R . .
H28C H 0.3757 1.3879 0.5693 0.090 Uiso 1 1 calc R . .
C29A C 0.3798(2) 1.2836(4) 0.62747(4) 0.0601(16) Uani 1 1 d DU . .
H29A H 0.3744 1.3504 0.6351 0.090 Uiso 1 1 calc R . .
H29B H 0.4163 1.2448 0.6376 0.090 Uiso 1 1 calc R . .
H29C H 0.3332 1.2480 0.6271 0.090 Uiso 1 1 calc R . .
C30A C 0.44014(11) 0.8854(3) 0.62933(4) 0.0478(8) Uani 1 1 d DU . .
C31A C 0.51149(10) 0.9199(4) 0.62518(4) 0.0522(9) Uani 1 1 d DU . .
H31A H 0.5234 0.9409 0.6088 0.063 Uiso 1 1 calc R . .
C32A C 0.56482(9) 0.9227(2) 0.64569(3) 0.0595(7) Uani 1 1 d DU . .
C33A C 0.54815(10) 0.8803(3) 0.66934(4) 0.0644(7) Uani 1 1 d DU . .
C34A C 0.47707(9) 0.8491(3) 0.67400(3) 0.0626(7) Uani 1 1 d DU . .
C35A C 0.42332(13) 0.8494(4) 0.65352(4) 0.0531(9) Uani 1 1 d DU . .
H35A H 0.3759 0.8253 0.6561 0.064 Uiso 1 1 calc R . .
C36A C 0.63882(10) 0.98959(14) 0.64195(4) 0.0678(9) Uani 1 1 d DU . .
C37A C 0.6334(3) 1.0284(3) 0.61393(4) 0.0797(17) Uani 1 1 d DU . .
H37A H 0.6281 0.9708 0.6023 0.120 Uiso 1 1 calc R . .
H37B H 0.6776 1.0658 0.6105 0.120 Uiso 1 1 calc R . .
H37C H 0.5912 1.0730 0.6114 0.120 Uiso 1 1 calc R . .
C38A C 0.6399(3) 1.08631(18) 0.65975(6) 0.0772(15) Uani 1 1 d DU . .
H38A H 0.6435 1.0650 0.6775 0.116 Uiso 1 1 calc R . .
H38B H 0.5952 1.1250 0.6564 0.116 Uiso 1 1 calc R . .
H38C H 0.6818 1.1285 0.6563 0.116 Uiso 1 1 calc R . .
C39A C 0.70651(13) 0.9187(2) 0.64652(11) 0.0799(17) Uani 1 1 d DU . .
H39A H 0.7073 0.8911 0.6637 0.120 Uiso 1 1 calc R . .
H39B H 0.7510 0.9574 0.6444 0.120 Uiso 1 1 calc R . .
H39C H 0.7035 0.8632 0.6342 0.120 Uiso 1 1 calc R . .
C40A C 0.6377(3) 0.7652(5) 0.69126(16) 0.0755(19) Uani 1 1 d DU . .
H40A H 0.6727 0.7650 0.7060 0.113 Uiso 1 1 calc R . .
H40B H 0.6630 0.7502 0.6759 0.113 Uiso 1 1 calc R . .
H40C H 0.6005 0.7138 0.6936 0.113 Uiso 1 1 calc R . .
C41A C 0.44999(10) 0.83405(15) 0.70180(3) 0.0748(9) Uani 1 1 d DU . .
C42A C 0.49070(19) 0.7465(2) 0.71699(7) 0.0897(15) Uani 1 1 d DU . .
H42A H 0.4709 0.7399 0.7337 0.135 Uiso 1 1 calc R . .
H42B H 0.5426 0.7621 0.7190 0.135 Uiso 1 1 calc R . .
H42C H 0.4839 0.6829 0.7077 0.135 Uiso 1 1 calc R . .
C43A C 0.37196(11) 0.8037(4) 0.70290(10) 0.0906(18) Uani 1 1 d DU . .
H43A H 0.3618 0.7876 0.7204 0.136 Uiso 1 1 calc R . .
H43B H 0.3624 0.7443 0.6922 0.136 Uiso 1 1 calc R . .
H43C H 0.3407 0.8594 0.6968 0.136 Uiso 1 1 calc R . .
C44A C 0.4632(3) 0.93214(18) 0.71903(6) 0.0918(17) Uani 1 1 d DU . .
H44A H 0.4459 0.9196 0.7359 0.138 Uiso 1 1 calc R . .
H44B H 0.4368 0.9893 0.7112 0.138 Uiso 1 1 calc R . .
H44C H 0.5152 0.9477 0.7205 0.138 Uiso 1 1 calc R . .
C45A C 0.1035(4) 0.6834(8) 0.62334(16) 0.0506(8) Uani 1 1 d U . .
C46A C 0.1196(5) 0.7120(8) 0.64716(17) 0.0558(9) Uani 1 1 d U . .
H46A H 0.1694 0.7172 0.6526 0.067 Uiso 1 1 calc R . .
C47A C 0.0663(4) 0.7357(7) 0.66531(6) 0.0643(7) Uani 1 1 d DU . .
C48A C 0.0012(5) 0.7021(10) 0.65847(19) 0.0671(7) Uani 1 1 d U . .
C49A C -0.02361(17) 0.6361(5) 0.63431(17) 0.0663(7) Uani 1 1 d DU . .
C50A C 0.0351(4) 0.6333(9) 0.61656(18) 0.0574(9) Uani 1 1 d U . .
H50A H 0.0282 0.5990 0.6008 0.069 Uiso 1 1 calc R . .
C51A C 0.0926(5) 0.7642(8) 0.69328(8) 0.0706(9) Uani 1 1 d DU . .
C52A C 0.1747(6) 0.7973(9) 0.69559(19) 0.0697(18) Uani 1 1 d U . .
H52A H 0.2050 0.7424 0.6897 0.105 Uiso 1 1 calc R . .
H52B H 0.1889 0.8128 0.7133 0.105 Uiso 1 1 calc R . .
H52C H 0.1813 0.8574 0.6851 0.105 Uiso 1 1 calc R . .
C53A C 0.0468(6) 0.8677(10) 0.7015(2) 0.0779(15) Uani 1 1 d U . .
H53A H -0.0052 0.8528 0.7009 0.117 Uiso 1 1 calc R . .
H53B H 0.0559 0.9226 0.6896 0.117 Uiso 1 1 calc R . .
H53C H 0.0632 0.8882 0.7187 0.117 Uiso 1 1 calc R . .
C54A C 0.0714(6) 0.6822(10) 0.7109(2) 0.0760(15) Uani 1 1 d U . .
H54A H 0.0191 0.6699 0.7085 0.114 Uiso 1 1 calc R . .
H54B H 0.0835 0.7027 0.7284 0.114 Uiso 1 1 calc R . .
H54C H 0.0978 0.6203 0.7072 0.114 Uiso 1 1 calc R . .
C55A C -0.1049(3) 0.8048(3) 0.66525(15) 0.0797(19) Uani 1 1 d DU . .
H55A H -0.1463 0.8155 0.6757 0.120 Uiso 1 1 calc R . .
H55B H -0.1223 0.7926 0.6477 0.120 Uiso 1 1 calc R . .
H55C H -0.0738 0.8648 0.6660 0.120 Uiso 1 1 calc R . .
C56A C -0.09444(14) 0.5850(4) 0.62880(5) 0.0770(10) Uani 1 1 d DU . .
C57A C -0.1519(3) 0.5877(8) 0.60548(5) 0.0994(17) Uani 1 1 d DU . .
H57A H -0.1862 0.5319 0.6069 0.149 Uiso 1 1 calc RD . .
H57B H -0.1269 0.5809 0.5897 0.149 Uiso 1 1 calc RD . .
H57C H -0.1781 0.6519 0.6054 0.149 Uiso 1 1 calc RD . .
C58A C -0.1414(3) 0.5425(6) 0.65043(6) 0.0897(17) Uani 1 1 d DU . .
H58A H -0.1809 0.5009 0.6429 0.135 Uiso 1 1 calc RD . .
H58B H -0.1618 0.5988 0.6597 0.135 Uiso 1 1 calc RD . .
H58C H -0.1107 0.5014 0.6621 0.135 Uiso 1 1 calc RD . .
C59A C -0.0573(7) 0.4558(12) 0.6190(3) 0.122(3) Uani 1 1 d U . .
H59A H -0.0979 0.4094 0.6152 0.183 Uiso 1 1 calc R . .
H59B H -0.0257 0.4283 0.6329 0.183 Uiso 1 1 calc R . .
H59C H -0.0296 0.4639 0.6039 0.183 Uiso 1 1 calc R . .
C60A C 0.1459(2) 0.55739(15) 0.58020(4) 0.0452(8) Uani 1 1 d DU . .
C61A C 0.1128(2) 0.57466(16) 0.55565(4) 0.0519(9) Uani 1 1 d DU . .
H61A H 0.1035 0.6415 0.5499 0.062 Uiso 1 1 calc R . .
C62A C 0.09369(16) 0.49102(13) 0.53970(3) 0.0616(7) Uani 1 1 d DU . .
C63A C 0.0999(3) 0.39214(14) 0.54990(3) 0.0572(7) Uani 1 1 d DU . .
C64A C 0.1219(2) 0.37567(11) 0.57562(3) 0.0556(7) Uani 1 1 d DU . .
C65A C 0.1511(3) 0.45817(13) 0.59012(5) 0.0469(9) Uani 1 1 d DU . .
H65A H 0.1740 0.4467 0.6064 0.056 Uiso 1 1 calc R . .
C66A C 0.04517(10) 0.51835(14) 0.51331(3) 0.0761(9) Uani 1 1 d DU . .
C67A C 0.09919(15) 0.5712(3) 0.49580(6) 0.0925(15) Uani 1 1 d DU . .
H67A H 0.0743 0.5859 0.4793 0.139 Uiso 1 1 calc R . .
H67B H 0.1405 0.5266 0.4934 0.139 Uiso 1 1 calc R . .
H67C H 0.1165 0.6344 0.5037 0.139 Uiso 1 1 calc R . .
C68A C 0.01743(14) 0.41866(17) 0.49924(7) 0.0913(17) Uani 1 1 d DU . .
H68A H -0.0184 0.3851 0.5093 0.137 Uiso 1 1 calc RD . .
H68B H 0.0585 0.3732 0.4972 0.137 Uiso 1 1 calc RD . .
H68C H -0.0050 0.4361 0.4825 0.137 Uiso 1 1 calc RD . .
C69A C -0.01701(14) 0.5926(2) 0.52016(9) 0.0869(16) Uani 1 1 d DU . .
H69A H -0.0474 0.5604 0.5324 0.130 Uiso 1 1 calc R . .
H69B H -0.0468 0.6095 0.5048 0.130 Uiso 1 1 calc R . .
H69C H 0.0043 0.6544 0.5275 0.130 Uiso 1 1 calc R . .
C70A C 0.15313(17) 0.2807(4) 0.51789(10) 0.0534(16) Uani 1 1 d DU . .
H70A H 0.1440 0.2187 0.5081 0.080 Uiso 1 1 calc RD . .
H70B H 0.1976 0.2729 0.5288 0.080 Uiso 1 1 calc RD . .
H70C H 0.1587 0.3373 0.5063 0.080 Uiso 1 1 calc RD . .
C71A C 0.12042(11) 0.26746(13) 0.58863(4) 0.0632(9) Uani 1 1 d DU . .
C72A C 0.1411(3) 0.2714(4) 0.61803(4) 0.0726(17) Uani 1 1 d DU . .
H72A H 0.1368 0.2037 0.6253 0.109 Uiso 1 1 calc R . .
H72B H 0.1082 0.3176 0.6262 0.109 Uiso 1 1 calc R . .
H72C H 0.1912 0.2953 0.6209 0.109 Uiso 1 1 calc R . .
C73A C 0.17326(15) 0.1916(2) 0.57958(8) 0.0679(14) Uani 1 1 d DU . .
H73A H 0.1689 0.1286 0.5891 0.102 Uiso 1 1 calc R . .
H73B H 0.2227 0.2180 0.5823 0.102 Uiso 1 1 calc R . .
H73C H 0.1627 0.1787 0.5615 0.102 Uiso 1 1 calc R . .
C74A C 0.04120(12) 0.2184(3) 0.58642(11) 0.0772(17) Uani 1 1 d DU . .
H74A H 0.0418 0.1543 0.5957 0.116 Uiso 1 1 calc R . .
H74B H 0.0267 0.2062 0.5685 0.116 Uiso 1 1 calc R . .
H74C H 0.0065 0.2646 0.5937 0.116 Uiso 1 1 calc R . .
C75A C 0.09729(9) 0.9923(2) 0.63447(5) 0.0460(9) Uani 1 1 d GDU . .
C76A C 0.02394(9) 1.0349(3) 0.63755(5) 0.0525(7) Uani 1 1 d GDU . .
C77A C 0.01649(11) 1.1040(3) 0.65867(6) 0.0586(8) Uani 1 1 d GDU . .
C78A C -0.04591(13) 1.1543(3) 0.66315(8) 0.0603(9) Uani 1 1 d GDU . .
H78A H -0.0502 1.2004 0.6767 0.072 Uiso 1 1 calc R . .
C79A C -0.10427(11) 1.1299(2) 0.64515(5) 0.0611(8) Uani 1 1 d DU . .
C80A C -0.10064(12) 1.0578(2) 0.62431(6) 0.0572(9) Uani 1 1 d DU . .
H80A H -0.1413 1.0466 0.6128 0.069 Uiso 1 1 calc R . .
C81A C -0.03700(10) 1.0071(2) 0.62194(5) 0.0542(8) Uani 1 1 d DU . .
C82A C 0.0838(4) 1.2069(3) 0.69152(8) 0.0796(19) Uani 1 1 d DU . .
H83A H 0.1335 1.2151 0.6989 0.119 Uiso 1 1 calc R . .
H83B H 0.0522 1.1847 0.7047 0.119 Uiso 1 1 calc R . .
H83C H 0.0663 1.2714 0.6845 0.119 Uiso 1 1 calc R . .
C83A C -0.1820(3) 1.2489(3) 0.66741(8) 0.0693(18) Uani 1 1 d DU . .
H84A H -0.2324 1.2725 0.6666 0.104 Uiso 1 1 calc R . .
H84B H -0.1497 1.3062 0.6649 0.104 Uiso 1 1 calc R . .
H84C H -0.1700 1.2184 0.6840 0.104 Uiso 1 1 calc R . .
C84A C -0.0862(2) 0.9139(5) 0.58503(9) 0.0651(18) Uani 1 1 d DU . .
H86A H -0.0699 0.8663 0.5724 0.098 Uiso 1 1 calc R . .
H86B H -0.1055 0.9747 0.5765 0.098 Uiso 1 1 calc R . .
H86C H -0.1242 0.8824 0.5945 0.098 Uiso 1 1 calc R . .
O9A O 0.08312(16) 1.1308(3) 0.67120(7) 0.0678(10) Uani 1 1 d DU . .
O10A O -0.17312(15) 1.1736(3) 0.64746(8) 0.0669(10) Uani 1 1 d DU . .
O11A O -0.02357(18) 0.9418(3) 0.60288(6) 0.0580(10) Uani 1 1 d DU . .
C85A C 0.43826(12) 0.5716(4) 0.64787(10) 0.0574(9) Uani 1 1 d DU . .
C86A C 0.50805(10) 0.5273(2) 0.65789(5) 0.0672(7) Uani 1 1 d DU . .
C87A C 0.50633(10) 0.4630(2) 0.68010(5) 0.0765(8) Uani 1 1 d DU . .
C88A C 0.56548(10) 0.4144(3) 0.69094(7) 0.0815(9) Uani 1 1 d DU . .
H90A H 0.5634 0.3668 0.7043 0.098 Uiso 1 1 calc R . .
C89A C 0.63109(12) 0.4437(2) 0.67980(5) 0.0844(8) Uani 1 1 d DU . .
C90A C 0.63671(13) 0.5116(2) 0.65821(6) 0.0781(9) Uani 1 1 d DU . .
H92A H 0.6823 0.5258 0.6516 0.094 Uiso 1 1 calc R . .
C91A C 0.57442(10) 0.5538(3) 0.64783(6) 0.0704(8) Uani 1 1 d DU . .
C92A C 0.4287(4) 0.3591(4) 0.70624(11) 0.101(2) Uani 1 1 d DU . .
H95A H 0.3775 0.3516 0.7098 0.151 Uiso 1 1 calc R . .
H95B H 0.4571 0.3748 0.7220 0.151 Uiso 1 1 calc R . .
H95C H 0.4464 0.2961 0.6991 0.151 Uiso 1 1 calc R . .
C93A C 0.6995(4) 0.3671(6) 0.71639(8) 0.104(2) Uani 1 1 d DU . .
H96A H 0.7493 0.3479 0.7218 0.156 Uiso 1 1 calc R . .
H96B H 0.6677 0.3082 0.7172 0.156 Uiso 1 1 calc R . .
H96C H 0.6828 0.4201 0.7276 0.156 Uiso 1 1 calc R . .
C94A C 0.6348(2) 0.6417(6) 0.61416(11) 0.0813(19) Uani 1 1 d DU . .
H98A H 0.6219 0.6842 0.5994 0.122 Uiso 1 1 calc R . .
H98B H 0.6610 0.5819 0.6087 0.122 Uiso 1 1 calc R . .
H98C H 0.6657 0.6800 0.6264 0.122 Uiso 1 1 calc R . .
O12A O 0.43639(17) 0.4419(4) 0.68790(10) 0.0837(11) Uani 1 1 d DU . .
O13A O 0.69760(18) 0.4051(5) 0.69020(8) 0.0939(11) Uani 1 1 d DU . .
O14A O 0.5674(2) 0.6097(4) 0.62619(7) 0.0694(11) Uani 1 1 d DU . .
N1A N 0.3830(3) 0.5928(6) 0.63896(14) 0.0511(12) Uani 1 1 d U . .
N2A N 0.1498(3) 0.9620(5) 0.63138(12) 0.0392(11) Uani 1 1 d U . .
O1A O 0.3771(3) 0.5329(4) 0.53413(10) 0.0350(8) Uani 1 1 d U . .
O2A O 0.2696(3) 0.6273(4) 0.53366(9) 0.0314(7) Uani 1 1 d U . .
O3A O 0.2757(3) 0.9278(4) 0.53288(10) 0.0389(8) Uani 1 1 d U . .
O4A O 0.1705(3) 1.0223(4) 0.52890(10) 0.0406(8) Uani 1 1 d U . .
O5A O 0.4493(3) 1.2689(4) 0.54696(10) 0.0470(9) Uani 1 1 d U . .
O6A O 0.6031(3) 0.8657(6) 0.68877(13) 0.0707(10) Uani 1 1 d U . .
O7A O -0.0626(3) 0.7163(3) 0.67493(12) 0.0723(10) Uani 1 1 d DU . .
O8A O 0.0914(3) 0.3006(4) 0.53376(12) 0.0559(10) Uani 1 1 d U . .
P1A P 0.36671(9) 0.89337(12) 0.60455(3) 0.0221(4) Uani 1 1 d U . .
P2A P 0.17642(8) 0.66529(12) 0.60025(3) 0.0217(4) Uani 1 1 d U . .
Au1A Au 0.286112(12) 0.63570(2) 0.620524(5) 0.02318(5) Uani 1 1 d U . .
Au2A Au 0.254845(13) 0.92046(2) 0.619785(5) 0.02541(6) Uani 1 1 d U . .
C1B C 0.3258(6) 0.9404(10) 0.9218(2) 0.0754(8) Uani 1 1 d U . .
C2B C 0.3838(6) 0.9901(10) 0.9263(2) 0.0768(9) Uani 1 1 d U . .
H2BA H 0.4265 0.9668 0.9190 0.092 Uiso 1 1 calc R . .
C3B C 0.3894(6) 1.0826(10) 0.9423(2) 0.0789(9) Uani 1 1 d U . .
H3BA H 0.4306 1.1256 0.9436 0.095 Uiso 1 1 calc R . .
C4B C 0.3326(6) 1.0967(10) 0.9541(2) 0.0793(8) Uani 1 1 d U . .
C5B C 0.2526(6) 1.1863(10) 0.9758(2) 0.0832(9) Uani 1 1 d U . .
H5BA H 0.2297 1.2452 0.9670 0.100 Uiso 1 1 calc R . .
H5BB H 0.2471 1.1937 0.9943 0.100 Uiso 1 1 calc R . .
C6B C 0.2729(6) 1.0455(10) 0.9511(2) 0.0787(7) Uani 1 1 d U . .
C7B C 0.2582(6) 0.9694(11) 0.9349(2) 0.0755(7) Uani 1 1 d U . .
C8B C 0.1847(6) 0.9124(10) 0.9321(2) 0.0746(7) Uani 1 1 d U . .
C9B C 0.1777(6) 0.8306(10) 0.9474(2) 0.0754(7) Uani 1 1 d U . .
C10B C 0.1951(6) 0.6864(10) 0.9721(2) 0.0762(9) Uani 1 1 d U . .
H10C H 0.2025 0.6724 0.9905 0.091 Uiso 1 1 calc R . .
H10D H 0.2211 0.6348 0.9625 0.091 Uiso 1 1 calc R . .
C11B C 0.1072(6) 0.7655(10) 0.9468(2) 0.0767(8) Uani 1 1 d U . .
C12B C 0.0492(6) 0.7984(10) 0.9301(2) 0.0761(9) Uani 1 1 d U . .
H12B H 0.0040 0.7642 0.9290 0.091 Uiso 1 1 calc R . .
C13B C 0.0617(6) 0.8865(10) 0.9147(2) 0.0757(9) Uani 1 1 d U . .
H13B H 0.0237 0.9109 0.9034 0.091 Uiso 1 1 calc R . .
C14B C 0.1233(6) 0.9323(10) 0.9159(2) 0.0756(8) Uani 1 1 d U . .
C15B C 0.3537(3) 0.71662(15) 0.92156(4) 0.0959(8) Uani 1 1 d DU . .
C16B C 0.3790(2) 0.73460(17) 0.94706(4) 0.0976(9) Uani 1 1 d DU . .
H16B H 0.3768 0.8004 0.9541 0.117 Uiso 1 1 calc R . .
C17B C 0.40781(18) 0.65291(13) 0.96194(3) 0.1000(7) Uani 1 1 d DU . .
C18B C 0.3987(3) 0.55315(13) 0.95265(3) 0.1007(8) Uani 1 1 d DU . .
C19B C 0.3706(2) 0.53334(12) 0.92768(3) 0.1022(7) Uani 1 1 d DU . .
C20B C 0.3503(4) 0.61711(14) 0.91190(5) 0.0985(9) Uani 1 1 d DU . .
H20B H 0.3342 0.6060 0.8947 0.118 Uiso 1 1 calc R . .
C21B C 0.44397(10) 0.68186(14) 0.99031(3) 0.1036(9) Uani 1 1 d DU . .
C22B C 0.48667(18) 0.78254(18) 0.98639(10) 0.1031(17) Uani 1 1 d DU . .
H22D H 0.4539 0.8329 0.9784 0.155 Uiso 1 1 calc R . .
H22E H 0.5268 0.7697 0.9755 0.155 Uiso 1 1 calc R . .
H22F H 0.5060 0.8078 1.0028 0.155 Uiso 1 1 calc R . .
C23B C 0.50132(16) 0.5995(2) 1.00007(9) 0.1134(17) Uani 1 1 d DU . .
H23D H 0.4760 0.5366 1.0038 0.170 Uiso 1 1 calc R . .
H23E H 0.5277 0.6239 1.0155 0.170 Uiso 1 1 calc R . .
H23F H 0.5356 0.5870 0.9870 0.170 Uiso 1 1 calc R . .
C24B C 0.38035(14) 0.7007(4) 1.00823(6) 0.1123(18) Uani 1 1 d DU . .
H24D H 0.3524 0.6384 1.0098 0.169 Uiso 1 1 calc R . .
H24E H 0.3485 0.7539 1.0010 0.169 Uiso 1 1 calc R . .
H24F H 0.4004 0.7216 1.0250 0.169 Uiso 1 1 calc R . .
C25B C 0.34418(19) 0.4410(5) 0.98401(9) 0.105(2) Uani 1 1 d DU . .
H25D H 0.3553 0.3810 0.9943 0.158 Uiso 1 1 calc R . .
H25E H 0.3011 0.4282 0.9727 0.158 Uiso 1 1 calc R . .
H25F H 0.3350 0.4983 0.9951 0.158 Uiso 1 1 calc R . .
C26B C 0.38585(11) 0.42923(13) 0.91380(4) 0.1093(9) Uani 1 1 d DU . .
C27B C 0.33595(16) 0.3402(2) 0.92223(9) 0.1161(15) Uani 1 1 d DU . .
H27D H 0.3300 0.2907 0.9085 0.174 Uiso 1 1 calc R . .
H27E H 0.2883 0.3670 0.9261 0.174 Uiso 1 1 calc R . .
H27F H 0.3585 0.3077 0.9374 0.174 Uiso 1 1 calc R . .
C28B C 0.3713(3) 0.4304(4) 0.88560(4) 0.117(2) Uani 1 1 d DU . .
H28D H 0.3631 0.3613 0.8795 0.175 Uiso 1 1 calc R . .
H28E H 0.4132 0.4592 0.8776 0.175 Uiso 1 1 calc R . .
H28F H 0.3282 0.4714 0.8813 0.175 Uiso 1 1 calc R . .
C29B C 0.46683(12) 0.3900(4) 0.91997(11) 0.1182(19) Uani 1 1 d DU . .
H29D H 0.4719 0.3218 0.9131 0.177 Uiso 1 1 calc R . .
H29E H 0.4772 0.3888 0.9384 0.177 Uiso 1 1 calc R . .
H29F H 0.5010 0.4354 0.9122 0.177 Uiso 1 1 calc R . .
C30B C 0.39831(11) 0.8339(4) 0.87738(5) 0.1202(8) Uani 1 1 d DU . .
C31B C 0.37782(12) 0.8719(4) 0.85284(4) 0.1229(9) Uani 1 1 d DU . .
H31B H 0.3281 0.8818 0.8478 0.148 Uiso 1 1 calc R . .
C32B C 0.43241(9) 0.8948(3) 0.83579(3) 0.1265(7) Uani 1 1 d DU . .
C33B C 0.50470(9) 0.8636(2) 0.84230(4) 0.1292(8) Uani 1 1 d DU . .
C34B C 0.52516(8) 0.8189(2) 0.86589(4) 0.1297(7) Uani 1 1 d DU . .
C35B C 0.47053(10) 0.8021(4) 0.88331(5) 0.1248(9) Uani 1 1 d DU . .
H35B H 0.4826 0.7694 0.8990 0.150 Uiso 1 1 calc R . .
C36B C 0.40364(10) 0.92239(14) 0.80642(3) 0.1312(9) Uani 1 1 d DU . .
C37B C 0.32109(11) 0.9484(4) 0.80751(11) 0.133(2) Uani 1 1 d DU . .
H37D H 0.2959 0.8918 0.8151 0.200 Uiso 1 1 calc R . .
H37E H 0.3001 0.9605 0.7903 0.200 Uiso 1 1 calc R . .
H37F H 0.3156 1.0091 0.8178 0.200 Uiso 1 1 calc R . .
C38B C 0.4429(2) 1.0208(2) 0.79694(9) 0.1397(16) Uani 1 1 d DU . .
H38D H 0.4949 1.0074 0.7960 0.210 Uiso 1 1 calc R . .
H38E H 0.4360 1.0762 0.8088 0.210 Uiso 1 1 calc R . .
H38F H 0.4222 1.0395 0.7801 0.210 Uiso 1 1 calc R . .
C39B C 0.4141(3) 0.82645(19) 0.78953(7) 0.1389(17) Uani 1 1 d DU . .
H39D H 0.4654 0.8073 0.7904 0.208 Uiso 1 1 calc R . .
H39E H 0.3981 0.8416 0.7719 0.208 Uiso 1 1 calc R . .
H39F H 0.3852 0.7706 0.7957 0.208 Uiso 1 1 calc R . .
C40B C 0.5945(2) 0.99574(18) 0.83249(10) 0.1319(11) Uani 1 1 d DU . .
H40D H 0.6319 1.0101 0.8206 0.198 Uiso 1 1 calc RD . .
H40E H 0.6163 0.9969 0.8499 0.198 Uiso 1 1 calc RD . .
H40F H 0.5563 1.0470 0.8307 0.198 Uiso 1 1 calc RD . .
C41B C 0.60209(10) 0.76632(15) 0.87125(4) 0.1350(9) Uani 1 1 d DU . .
C42B C 0.6329(2) 0.7203(3) 0.84650(5) 0.1391(17) Uani 1 1 d DU . .
H42D H 0.6816 0.6930 0.8505 0.209 Uiso 1 1 calc R . .
H42E H 0.6355 0.7733 0.8336 0.209 Uiso 1 1 calc R . .
H42F H 0.6008 0.6662 0.8400 0.209 Uiso 1 1 calc R . .
C43B C 0.6034(3) 0.67735(19) 0.88873(6) 0.1472(17) Uani 1 1 d DU . .
H43D H 0.6536 0.6548 0.8921 0.221 Uiso 1 1 calc R . .
H43E H 0.5747 0.6224 0.8808 0.221 Uiso 1 1 calc R . .
H43F H 0.5829 0.6966 0.9047 0.221 Uiso 1 1 calc R . .
C44B C 0.66306(14) 0.84391(19) 0.88166(8) 0.1443(18) Uani 1 1 d DU . .
H44D H 0.7082 0.8073 0.8859 0.216 Uiso 1 1 calc RD . .
H44E H 0.6469 0.8777 0.8968 0.216 Uiso 1 1 calc RD . .
H44F H 0.6714 0.8943 0.8686 0.216 Uiso 1 1 calc RD . .
C45B C 0.06211(11) 1.0405(4) 0.86694(4) 0.1082(9) Uani 1 1 d DU . .
C46B C 0.07859(13) 1.0088(5) 0.84223(4) 0.1108(9) Uani 1 1 d DU . .
H46B H 0.1273 0.9958 0.8384 0.133 Uiso 1 1 calc R . .
C47B C 0.02109(10) 0.9969(3) 0.82338(3) 0.1161(7) Uani 1 1 d DU . .
C48B C -0.04847(11) 1.0365(3) 0.82791(4) 0.1173(8) Uani 1 1 d DU . .
C49B C -0.06616(9) 1.0680(2) 0.85240(4) 0.1179(7) Uani 1 1 d DU . .
C50B C -0.00836(11) 1.0757(5) 0.87141(5) 0.1119(9) Uani 1 1 d DU . .
H50B H -0.0173 1.1050 0.8873 0.134 Uiso 1 1 calc R . .
C51B C 0.04309(11) 0.95864(14) 0.79511(4) 0.1213(9) Uani 1 1 d DU . .
C52B C 0.12539(11) 0.9297(4) 0.79791(11) 0.1259(19) Uani 1 1 d DU . .
H52D H 0.1529 0.9850 0.8062 0.189 Uiso 1 1 calc R . .
H52E H 0.1434 0.9175 0.7811 0.189 Uiso 1 1 calc R . .
H52F H 0.1314 0.8684 0.8082 0.189 Uiso 1 1 calc R . .
C53B C -0.0006(2) 0.85909(19) 0.78728(10) 0.1272(17) Uani 1 1 d DU . .
H53D H -0.0518 0.8758 0.7836 0.191 Uiso 1 1 calc R . .
H53E H 0.0038 0.8104 0.8012 0.191 Uiso 1 1 calc R . .
H53F H 0.0194 0.8297 0.7722 0.191 Uiso 1 1 calc R . .
C54B C 0.0310(3) 1.0492(2) 0.77614(6) 0.1342(18) Uani 1 1 d DU . .
H54D H -0.0199 1.0702 0.7757 0.201 Uiso 1 1 calc R . .
H54E H 0.0434 1.0280 0.7592 0.201 Uiso 1 1 calc R . .
H54F H 0.0621 1.1059 0.7818 0.201 Uiso 1 1 calc R . .
C55B C -0.1502(2) 0.9240(2) 0.81312(7) 0.125(2) Uani 1 1 d DU . .
H55D H -0.1899 0.9241 0.8000 0.188 Uiso 1 1 calc RD . .
H55E H -0.1700 0.9323 0.8298 0.188 Uiso 1 1 calc RD . .
H55F H -0.1240 0.8598 0.8126 0.188 Uiso 1 1 calc RD . .
C56B C -0.13731(10) 1.13288(15) 0.85658(4) 0.1237(9) Uani 1 1 d DU . .
C57B C -0.20969(12) 1.07836(18) 0.84702(6) 0.1319(17) Uani 1 1 d DU . .
H57D H -0.2513 1.1203 0.8509 0.198 Uiso 1 1 calc RD . .
H57E H -0.2131 1.0130 0.8555 0.198 Uiso 1 1 calc RD . .
H57F H -0.2097 1.0678 0.8287 0.198 Uiso 1 1 calc RD . .
C58B C -0.1509(3) 1.1556(4) 0.88369(4) 0.127(2) Uani 1 1 d DU . .
H58D H -0.2000 1.1831 0.8847 0.191 Uiso 1 1 calc R . .
H58E H -0.1154 1.2052 0.8904 0.191 Uiso 1 1 calc R . .
H58F H -0.1463 1.0935 0.8937 0.191 Uiso 1 1 calc R . .
C59B C -0.1368(3) 1.23724(18) 0.84148(7) 0.1305(18) Uani 1 1 d DU . .
H59D H -0.1835 1.2713 0.8427 0.196 Uiso 1 1 calc R . .
H59E H -0.1286 1.2241 0.8236 0.196 Uiso 1 1 calc R . .
H59F H -0.0978 1.2803 0.8488 0.196 Uiso 1 1 calc R . .
C60B C 0.1069(2) 1.16566(16) 0.91269(5) 0.0846(8) Uani 1 1 d DU . .
C61B C 0.06940(19) 1.15289(17) 0.93521(5) 0.0863(9) Uani 1 1 d DU . .
H61B H 0.0595 1.0871 0.9412 0.104 Uiso 1 1 calc R . .
C62B C 0.04681(14) 1.23917(13) 0.94868(4) 0.0877(7) Uani 1 1 d DU . .
C63B C 0.05968(19) 1.33609(15) 0.93852(4) 0.0891(7) Uani 1 1 d DU . .
C64B C 0.09305(19) 1.34977(12) 0.91537(4) 0.0900(7) Uani 1 1 d DU . .
C65B C 0.1131(3) 1.26255(14) 0.90170(6) 0.0868(9) Uani 1 1 d DU . .
H65B H 0.1305 1.2693 0.8852 0.104 Uiso 1 1 calc R . .
C66B C -0.00619(11) 1.21919(14) 0.97225(4) 0.0907(9) Uani 1 1 d DU . .
C67B C 0.04394(18) 1.1755(3) 0.99459(6) 0.0927(16) Uani 1 1 d DU . .
H67D H 0.0835 1.2230 0.9988 0.139 Uiso 1 1 calc R . .
H67E H 0.0642 1.1108 0.9895 0.139 Uiso 1 1 calc R . .
H67F H 0.0155 1.1653 1.0094 0.139 Uiso 1 1 calc R . .
C68B C -0.06445(16) 1.1348(2) 0.96464(10) 0.0953(17) Uani 1 1 d DU . .
H68D H -0.0953 1.1578 0.9501 0.143 Uiso 1 1 calc R . .
H68E H -0.0945 1.1218 0.9790 0.143 Uiso 1 1 calc R . .
H68F H -0.0395 1.0725 0.9602 0.143 Uiso 1 1 calc R . .
C69B C -0.0392(2) 1.32301(19) 0.98017(9) 0.0928(17) Uani 1 1 d DU . .
H69D H -0.0690 1.3509 0.9659 0.139 Uiso 1 1 calc R . .
H69E H 0.0002 1.3701 0.9850 0.139 Uiso 1 1 calc R . .
H69F H -0.0693 1.3128 0.9946 0.139 Uiso 1 1 calc R . .
C70B C 0.1121(5) 1.4404(6) 0.97395(12) 0.088(2) Uani 1 1 d DU . .
H70D H 0.1055 1.5032 0.9833 0.132 Uiso 1 1 calc R . .
H70E H 0.1599 1.4408 0.9668 0.132 Uiso 1 1 calc R . .
H70F H 0.1088 1.3828 0.9855 0.132 Uiso 1 1 calc R . .
C71B C 0.08870(11) 1.45517(14) 0.90084(4) 0.0954(9) Uani 1 1 d DU . .
C72B C 0.1083(3) 1.4473(4) 0.87227(4) 0.1062(19) Uani 1 1 d DU . .
H72D H 0.1079 1.5148 0.8647 0.159 Uiso 1 1 calc R . .
H72E H 0.0724 1.4047 0.8630 0.159 Uiso 1 1 calc R . .
H72F H 0.1566 1.4175 0.8714 0.159 Uiso 1 1 calc R . .
C73B C 0.01484(12) 1.5026(3) 0.89883(11) 0.1038(18) Uani 1 1 d DU . .
H73D H 0.0174 1.5677 0.8901 0.156 Uiso 1 1 calc R . .
H73E H -0.0021 1.5132 0.9159 0.156 Uiso 1 1 calc R . .
H73F H -0.0190 1.4581 0.8892 0.156 Uiso 1 1 calc R . .
C74B C 0.14464(17) 1.5355(2) 0.91332(9) 0.0964(16) Uani 1 1 d DU . .
H74D H 0.1436 1.5970 0.9030 0.145 Uiso 1 1 calc R . .
H74E H 0.1937 1.5069 0.9141 0.145 Uiso 1 1 calc R . .
H74F H 0.1309 1.5518 0.9305 0.145 Uiso 1 1 calc R . .
C75B C 0.06068(13) 0.7201(4) 0.85319(11) 0.0893(9) Uani 1 1 d DU . .
C76B C -0.00810(10) 0.6777(2) 0.84172(6) 0.0931(8) Uani 1 1 d DU . .
C77B C -0.00235(12) 0.6029(2) 0.82177(6) 0.0955(8) Uani 1 1 d DU . .
C78B C -0.06102(12) 0.5625(3) 0.80842(7) 0.0967(9) Uani 1 1 d DU . .
H78B H -0.0581 0.5244 0.7933 0.116 Uiso 1 1 calc R . .
C79B C -0.12746(14) 0.5844(3) 0.81996(6) 0.0968(8) Uani 1 1 d DU . .
C80B C -0.13543(14) 0.6508(3) 0.84171(7) 0.0962(9) Uani 1 1 d DU . .
H80B H -0.1805 0.6570 0.8493 0.115 Uiso 1 1 calc R . .
C81B C -0.07588(11) 0.7036(3) 0.85070(7) 0.0957(8) Uani 1 1 d DU . .
C82B C 0.0814(4) 0.5405(9) 0.79028(14) 0.104(2) Uani 1 1 d DU . .
H83D H 0.1313 0.5472 0.7851 0.156 Uiso 1 1 calc R . .
H83E H 0.0475 0.5607 0.7762 0.156 Uiso 1 1 calc R . .
H83F H 0.0723 0.4702 0.7948 0.156 Uiso 1 1 calc R . .
C83B C -0.1942(4) 0.4811(7) 0.78742(14) 0.100(2) Uani 1 1 d DU . .
H84D H -0.2436 0.4547 0.7846 0.150 Uiso 1 1 calc R . .
H84E H -0.1602 0.4247 0.7899 0.150 Uiso 1 1 calc R . .
H84F H -0.1815 0.5206 0.7727 0.150 Uiso 1 1 calc R . .
C84B C -0.1314(5) 0.7968(7) 0.88460(13) 0.105(2) Uani 1 1 d DU . .
H86D H -0.1156 0.8329 0.9001 0.157 Uiso 1 1 calc R . .
H86E H -0.1613 0.7389 0.8889 0.157 Uiso 1 1 calc R . .
H86F H -0.1598 0.8423 0.8733 0.157 Uiso 1 1 calc R . .
C85B C 0.40875(13) 1.1427(4) 0.86787(12) 0.1211(10) Uani 1 1 d DU . .
C86B C 0.47839(11) 1.1939(3) 0.86337(5) 0.1241(8) Uani 1 1 d DU . .
C87B C 0.54030(11) 1.1700(3) 0.88065(6) 0.1232(8) Uani 1 1 d DU . .
C88B C 0.60888(14) 1.2052(3) 0.87791(7) 0.1264(9) Uani 1 1 d DU . .
H90B H 0.6498 1.1864 0.8886 0.152 Uiso 1 1 calc R . .
C89B C 0.61198(16) 1.2737(3) 0.85706(6) 0.1288(8) Uani 1 1 d DU . .
C90B C 0.55258(14) 1.2952(3) 0.83831(7) 0.1294(9) Uani 1 1 d DU . .
H92B H 0.5582 1.3426 0.8251 0.155 Uiso 1 1 calc R . .
C91B C 0.48881(15) 1.2446(3) 0.84043(6) 0.1294(8) Uani 1 1 d DU . .
C92B C 0.5836(6) 1.0643(7) 0.91713(14) 0.117(2) Uani 1 1 d DU . .
H95D H 0.5645 1.0119 0.9280 0.176 Uiso 1 1 calc R . .
H95E H 0.6011 1.1213 0.9276 0.176 Uiso 1 1 calc R . .
H95F H 0.6237 1.0366 0.9080 0.176 Uiso 1 1 calc R . .
C93B C 0.6863(4) 1.4124(6) 0.8412(2) 0.136(2) Uani 1 1 d DU . .
H96D H 0.7334 1.4454 0.8445 0.204 Uiso 1 1 calc R . .
H96E H 0.6474 1.4618 0.8427 0.204 Uiso 1 1 calc R . .
H96F H 0.6836 1.3843 0.8240 0.204 Uiso 1 1 calc R . .
C94B C 0.4277(6) 1.3406(8) 0.80585(15) 0.133(2) Uani 1 1 d DU . .
H98D H 0.3798 1.3497 0.7972 0.199 Uiso 1 1 calc R . .
H98E H 0.4631 1.3240 0.7934 0.199 Uiso 1 1 calc R . .
H98F H 0.4424 1.4030 0.8146 0.199 Uiso 1 1 calc R . .
N1B N 0.1126(5) 0.7651(9) 0.86055(17) 0.0856(13) Uani 1 1 d U . .
N2B N 0.3461(6) 1.1306(12) 0.8680(2) 0.1208(13) Uani 1 1 d U . .
O1B O 0.3221(4) 1.1815(7) 0.97121(15) 0.0831(9) Uani 1 1 d U . .
O2B O 0.2163(4) 1.0875(7) 0.96603(15) 0.0811(9) Uani 1 1 d U . .
O3B O 0.2204(4) 0.7921(7) 0.96580(15) 0.0750(9) Uani 1 1 d U . .
O4B O 0.1147(4) 0.6888(7) 0.96381(15) 0.0782(9) Uani 1 1 d U . .
O5B O 0.4059(2) 0.4643(3) 0.96878(8) 0.1024(11) Uani 1 1 d DU . .
O6B O 0.56325(19) 0.8960(3) 0.82703(9) 0.1319(11) Uani 1 1 d DU . .
O7B O -0.0961(5) 1.0144(9) 0.80819(17) 0.1184(11) Uani 1 1 d U . .
O8B O 0.0545(5) 1.4320(7) 0.95295(15) 0.0898(11) Uani 1 1 d U . .
O9B O 0.0717(4) 0.6032(8) 0.81141(16) 0.0988(11) Uani 1 1 d U . .
O10B O -0.1901(4) 0.5487(8) 0.81106(16) 0.0990(11) Uani 1 1 d U . .
O11B O -0.0716(4) 0.7636(8) 0.87268(15) 0.0987(11) Uani 1 1 d U . .
O12B O 0.5318(5) 1.0953(9) 0.9008(2) 0.1194(12) Uani 1 1 d U . .
O13B O 0.6792(5) 1.3397(10) 0.8576(2) 0.1302(12) Uani 1 1 d U . .
O14B O 0.4247(6) 1.2555(10) 0.8249(2) 0.1313(12) Uani 1 1 d U . .
P1B P 0.32426(14) 0.8229(3) 0.90064(5) 0.0642(6) Uani 1 1 d U . .
P2B P 0.13135(15) 1.0513(3) 0.89392(5) 0.0704(7) Uani 1 1 d U . .
Au1B Au 0.21384(2) 0.79313(4) 0.879762(8) 0.06697(14) Uani 1 1 d U . .
Au2B Au 0.24480(2) 1.07903(4) 0.879879(8) 0.07271(15) Uani 1 1 d U . .
Sb1C Sb 0.96142(11) 0.35327(15) 0.73913(3) 0.1054(5) Uani 0.50 1 d PGDU A 1
F1C F 0.9435(5) 0.2109(2) 0.73363(16) 0.1107(12) Uani 0.50 1 d PGDU A 1
F2C F 1.06484(14) 0.3291(7) 0.74157(16) 0.1076(12) Uani 0.50 1 d PGDU A 1
F3C F 0.9606(5) 0.3285(6) 0.77537(4) 0.1134(12) Uani 0.50 1 d PGDU A 1
F4C F 0.85849(15) 0.3803(7) 0.73520(16) 0.1100(12) Uani 0.50 1 d PGDU A 1
F5C F 0.9780(5) 0.4957(2) 0.74502(16) 0.1136(12) Uani 0.50 1 d PGDU A 1
F6C F 0.9673(5) 0.3732(6) 0.70298(4) 0.1073(12) Uani 0.50 1 d PGDU A 1
Sb1' Sb 0.95050(8) 0.34775(12) 0.74002(3) 0.1039(5) Uani 0.50 1 d PDU B 2
F1C' F 0.9721(3) 0.20844(15) 0.73328(9) 0.1111(12) Uani 0.50 1 d PDU B 2
F2C' F 1.05047(12) 0.3841(4) 0.73539(9) 0.1067(11) Uani 0.50 1 d PDU B 2
F3C' F 0.9783(3) 0.3239(4) 0.77555(4) 0.1123(12) Uani 0.50 1 d PDU B 2
F4C' F 0.84977(12) 0.3145(4) 0.74356(10) 0.1094(12) Uani 0.50 1 d PDU B 2
F5C' F 0.9282(3) 0.48732(18) 0.74692(10) 0.1078(12) Uani 0.50 1 d PDU B 2
F6C' F 0.9289(3) 0.3699(4) 0.70403(4) 0.1063(12) Uani 0.50 1 d PDU B 2
Sb1D Sb 0.77390(5) 0.91016(9) 0.953439(16) 0.0915(3) Uani 1 1 d GU . .
F1D F 0.7710(3) 0.7835(2) 0.93520(8) 0.1287(12) Uani 1 1 d GU . .
F2D F 0.66926(5) 0.9121(4) 0.95308(9) 0.1102(13) Uani 1 1 d GU . .
F3D F 0.7740(3) 0.8333(3) 0.98483(5) 0.1242(12) Uani 1 1 d GU . .
F4D F 0.87830(5) 0.9132(4) 0.95283(9) 0.1207(13) Uani 1 1 d GU . .
F5D F 0.7780(3) 1.0356(2) 0.97212(8) 0.1194(12) Uani 1 1 d GU . .
F6D F 0.7678(3) 0.9835(3) 0.92168(5) 0.1233(12) Uani 1 1 d GU . .
Sb1E Sb 0.27025(3) 0.25855(5) 0.453510(11) 0.04909(16) Uani 1 1 d GU . .
F1E F 0.26896(17) 0.3406(2) 0.42324(4) 0.0924(11) Uani 1 1 d GU . .
F2E F 0.37495(4) 0.2521(2) 0.45436(6) 0.0748(11) Uani 1 1 d GU . .
F3E F 0.27956(18) 0.38189(15) 0.47342(6) 0.0839(11) Uani 1 1 d GU . .
F4E F 0.16563(3) 0.2581(2) 0.45230(6) 0.0590(10) Uani 1 1 d GU . .
F5E F 0.27075(17) 0.1783(2) 0.48405(4) 0.0726(10) Uani 1 1 d GU . .
F6E F 0.26650(18) 0.13720(16) 0.43307(6) 0.0876(11) Uani 1 1 d GU . .
Sb1F Sb 0.55987(10) 0.54918(15) 0.77181(3) 0.1733(6) Uani 1 1 d GU . .
F1F F 0.5839(4) 0.5766(6) 0.73739(6) 0.1911(13) Uani 1 1 d GU . .
F2F F 0.6462(2) 0.6186(5) 0.78474(13) 0.1944(12) Uani 1 1 d GU . .
F3F F 0.6171(4) 0.4262(3) 0.77057(14) 0.1981(13) Uani 1 1 d GU . .
F4F F 0.4705(2) 0.4849(5) 0.75974(13) 0.1947(12) Uani 1 1 d GU . .
F5F F 0.5357(4) 0.5188(6) 0.80613(6) 0.1906(13) Uani 1 1 d GU . .
F6F F 0.5078(4) 0.6759(3) 0.77292(14) 0.1951(13) Uani 1 1 d GU . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.2840 9.3800 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.4900 1.6560 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C2A C1A C7A 120.4(6) . . ?
C2A C1A P1A 120.0(5) . . ?
C7A C1A P1A 119.5(5) . . ?
C1A C2A C3A 123.4(6) . . ?
C4A C3A C2A 116.3(6) . . ?
C6A C4A C3A 120.5(6) . . ?
C6A C4A O1A 110.3(6) . . ?
C3A C4A O1A 129.2(6) . . ?
O1A C5A O2A 113.5(6) . . ?
C4A C6A C7A 127.3(6) . . ?
C4A C6A O2A 110.8(6) . . ?
C7A C6A O2A 121.9(6) . . ?
C6A C7A C1A 112.1(6) . . ?
C6A C7A C8A 122.7(6) . . ?
C1A C7A C8A 125.1(6) . . ?
C14A C8A C9A 119.2(6) . . ?
C14A C8A C7A 125.2(6) . . ?
C9A C8A C7A 115.6(6) . . ?
O3A C9A C8A 131.0(6) . . ?
O3A C9A C11A 108.4(6) . . ?
C8A C9A C11A 120.5(7) . . ?
O3A C10A O4A 106.5(6) . . ?
O4A C11A C12A 131.5(6) . . ?
O4A C11A C9A 107.9(6) . . ?
C12A C11A C9A 120.6(6) . . ?
C11A C12A C13A 118.9(6) . . ?
C12A C13A C14A 119.5(6) . . ?
C8A C14A C13A 121.1(6) . . ?
C8A C14A P2A 122.6(5) . . ?
C13A C14A P2A 116.3(5) . . ?
C16A C15A C20A 120.0 . . ?
C16A C15A P1A 121.16(8) . . ?
C20A C15A P1A 117.51(8) . . ?
C17A C16A C15A 120.0 . . ?
C16A C17A C18A 120.0 . . ?
C16A C17A C21A 116.29(10) . . ?
C18A C17A C21A 123.71(10) . . ?
C19A C18A C17A 120.0 . . ?
C19A C18A O5A 115.6(3) . . ?
C17A C18A O5A 118.8(2) . . ?
C18A C19A C20A 120.0 . . ?
C18A C19A C26A 121.85(10) . . ?
C20A C19A C26A 118.15(10) . . ?
C19A C20A C15A 120.0 . . ?
C24A C21A C22A 109.8(2) . . ?
C24A C21A C23A 115.6(2) . . ?
C22A C21A C23A 107.33(15) . . ?
C24A C21A C17A 108.90(14) . . ?
C22A C21A C17A 104.12(17) . . ?
C23A C21A C17A 110.51(17) . . ?
C28A C26A C27A 102.6(2) . . ?
C28A C26A C19A 116.83(17) . . ?
C27A C26A C19A 111.78(18) . . ?
C28A C26A C29A 108.3(2) . . ?
C27A C26A C29A 104.2(2) . . ?
C19A C26A C29A 112.0(2) . . ?
C35A C30A C31A 120.1(2) . . ?
C35A C30A P1A 118.19(17) . . ?
C31A C30A P1A 121.61(18) . . ?
C32A C31A C30A 119.8(2) . . ?
C33A C32A C31A 118.96(18) . . ?
C33A C32A C36A 122.80(16) . . ?
C31A C32A C36A 117.66(19) . . ?
C34A C33A O6A 117.9(3) . . ?
C34A C33A C32A 121.42(17) . . ?
O6A C33A C32A 120.7(3) . . ?
C33A C34A C35A 118.67(18) . . ?
C33A C34A C41A 122.94(16) . . ?
C35A C34A C41A 117.30(16) . . ?
C30A C35A C34A 120.5(2) . . ?
C37A C36A C39A 110.3(3) . . ?
C37A C36A C38A 107.0(2) . . ?
C39A C36A C38A 114.2(3) . . ?
C37A C36A C32A 106.4(2) . . ?
C39A C36A C32A 108.49(18) . . ?
C38A C36A C32A 110.1(2) . . ?
C43A C41A C42A 102.3(2) . . ?
C43A C41A C34A 115.1(2) . . ?
C42A C41A C34A 113.3(2) . . ?
C43A C41A C44A 108.1(3) . . ?
C42A C41A C44A 104.9(2) . . ?
C34A C41A C44A 112.2(2) . . ?
C46A C45A C50A 120.4(8) . . ?
C46A C45A P2A 121.3(6) . . ?
C50A C45A P2A 115.2(7) . . ?
C45A C46A C47A 124.3(8) . . ?
C48A C47A C46A 113.0(7) . . ?
C48A C47A C51A 124.5(7) . . ?
C46A C47A C51A 119.3(7) . . ?
C47A C48A O7A 122.0(8) . . ?
C47A C48A C49A 128.6(8) . . ?
O7A C48A C49A 109.3(7) . . ?
C50A C49A C56A 122.3(7) . . ?
C50A C49A C48A 109.7(6) . . ?
C56A C49A C48A 128.0(6) . . ?
C45A C50A C49A 119.5(8) . . ?
C54A C51A C47A 109.4(7) . . ?
C54A C51A C52A 116.1(8) . . ?
C47A C51A C52A 112.4(6) . . ?
C54A C51A C53A 106.2(7) . . ?
C47A C51A C53A 107.8(7) . . ?
C52A C51A C53A 104.4(8) . . ?
C49A C56A C57A 133.3(5) . . ?
C49A C56A C58A 122.4(4) . . ?
C57A C56A C58A 101.6(3) . . ?
C49A C56A C59A 97.8(5) . . ?
C57A C56A C59A 92.4(6) . . ?
C58A C56A C59A 95.6(6) . . ?
C65A C60A C61A 120.2(2) . . ?
C65A C60A P2A 119.65(18) . . ?
C61A C60A P2A 119.96(16) . . ?
C60A C61A C62A 119.59(19) . . ?
C63A C62A C61A 118.81(17) . . ?
C63A C62A C66A 123.43(19) . . ?
C61A C62A C66A 115.59(16) . . ?
C64A C63A C62A 121.38(17) . . ?
C64A C63A O8A 116.2(3) . . ?
C62A C63A O8A 122.2(3) . . ?
C63A C64A C65A 118.55(18) . . ?
C63A C64A C71A 122.94(16) . . ?
C65A C64A C71A 118.39(17) . . ?
C60A C65A C64A 119.9(2) . . ?
C67A C66A C69A 110.8(2) . . ?
C67A C66A C68A 107.2(2) . . ?
C69A C66A C68A 114.19(19) . . ?
C67A C66A C62A 105.33(18) . . ?
C69A C66A C62A 108.1(2) . . ?
C68A C66A C62A 110.93(17) . . ?
C73A C71A C72A 102.2(3) . . ?
C73A C71A C64A 116.0(2) . . ?
C72A C71A C64A 112.7(2) . . ?
C73A C71A C74A 108.3(2) . . ?
C72A C71A C74A 104.6(3) . . ?
C64A C71A C74A 112.0(2) . . ?
N2A C75A C76A 177.5(4) . . ?
C81A C76A C77A 120.43(14) . . ?
C81A C76A C75A 122.69(15) . . ?
C77A C76A C75A 116.8 . . ?
C78A C77A O9A 121.28(19) . . ?
C78A C77A C76A 124.0 . . ?
O9A C77A C76A 113.55(19) . . ?
C77A C78A C79A 112.62(14) . . ?
O10A C79A C78A 119.8(2) . . ?
O10A C79A C80A 114.5(2) . . ?
C78A C79A C80A 125.6(2) . . ?
C81A C80A C79A 117.9(2) . . ?
O11A C81A C80A 125.1(2) . . ?
O11A C81A C76A 115.3(2) . . ?
C80A C81A C76A 118.7(2) . . ?
C77A O9A C82A 119.0(4) . . ?
C79A O10A C83A 118.8(3) . . ?
C81A O11A C84A 117.2(3) . . ?
N1A C85A C86A 170.8(6) . . ?
C91A C86A C87A 120.83(19) . . ?
C91A C86A C85A 121.5(2) . . ?
C87A C86A C85A 117.4(2) . . ?
C88A C87A O12A 120.6(3) . . ?
C88A C87A C86A 124.1(2) . . ?
O12A C87A C86A 114.7(2) . . ?
C87A C88A C89A 112.0(2) . . ?
O13A C89A C88A 118.7(3) . . ?
O13A C89A C90A 115.3(3) . . ?
C88A C89A C90A 126.1(2) . . ?
C91A C90A C89A 118.0(2) . . ?
O14A C91A C90A 126.6(3) . . ?
O14A C91A C86A 114.3(2) . . ?
C90A C91A C86A 118.5(2) . . ?
C87A O12A C92A 117.8(4) . . ?
C89A O13A C93A 117.5(4) . . ?
C91A O14A C94A 118.2(4) . . ?
C85A N1A Au1A 175.8(6) . . ?
C75A N2A Au2A 169.7(6) . . ?
C5A O1A C4A 103.9(5) . . ?
C6A O2A C5A 99.8(5) . . ?
C9A O3A C10A 108.6(6) . . ?
C11A O4A C10A 106.8(5) . . ?
C18A O5A C25A 117.1(5) . . ?
C33A O6A C40A 118.4(6) . . ?
C55A O7A C48A 108.2(6) . . ?
C70A O8A C63A 114.3(5) . . ?
C30A P1A C1A 108.6(3) . . ?
C30A P1A C15A 104.80(15) . . ?
C1A P1A C15A 106.7(2) . . ?
C30A P1A Au2A 113.76(11) . . ?
C1A P1A Au2A 115.0(2) . . ?
C15A P1A Au2A 107.28(8) . . ?
C14A P2A C60A 106.5(2) . . ?
C14A P2A C45A 107.6(4) . . ?
C60A P2A C45A 105.3(3) . . ?
C14A P2A Au1A 113.6(2) . . ?
C60A P2A Au1A 111.75(14) . . ?
C45A P2A Au1A 111.6(3) . . ?
N1A Au1A P2A 173.9(2) . . ?
N2A Au2A P1A 173.14(19) . . ?
C2B C1B C7B 119.6(12) . . ?
C2B C1B P1B 120.9(10) . . ?
C7B C1B P1B 119.3(8) . . ?
C1B C2B C3B 124.2(11) . . ?
C4B C3B C2B 111.6(11) . . ?
C3B C4B C6B 126.0(13) . . ?
C3B C4B O1B 124.2(12) . . ?
C6B C4B O1B 109.5(11) . . ?
O1B C5B O2B 107.7(10) . . ?
C4B C6B C7B 127.7(12) . . ?
C4B C6B O2B 111.4(11) . . ?
C7B C6B O2B 120.6(10) . . ?
C6B C7B C1B 109.9(10) . . ?
C6B C7B C8B 124.8(11) . . ?
C1B C7B C8B 125.0(11) . . ?
C9B C8B C14B 114.2(11) . . ?
C9B C8B C7B 116.2(10) . . ?
C14B C8B C7B 129.6(12) . . ?
O3B C9B C8B 132.3(11) . . ?
O3B C9B C11B 105.4(10) . . ?
C8B C9B C11B 122.2(10) . . ?
O3B C10B O4B 103.0(9) . . ?
O4B C11B C12B 133.3(11) . . ?
O4B C11B C9B 110.3(9) . . ?
C12B C11B C9B 116.3(11) . . ?
C11B C12B C13B 117.3(11) . . ?
C14B C13B C12B 121.4(11) . . ?
C13B C14B C8B 128.4(13) . . ?
C13B C14B P2B 116.4(9) . . ?
C8B C14B P2B 115.0(9) . . ?
C20B C15B C16B 120.3(2) . . ?
C20B C15B P1B 119.2(2) . . ?
C16B C15B P1B 120.48(18) . . ?
C15B C16B C17B 119.2(2) . . ?
C18B C17B C16B 119.09(19) . . ?
C18B C17B C21B 124.40(16) . . ?
C16B C17B C21B 116.30(16) . . ?
C19B C18B C17B 121.73(17) . . ?
C19B C18B O5B 114.4(2) . . ?
C17B C18B O5B 123.2(2) . . ?
C18B C19B C20B 118.10(17) . . ?
C18B C19B C26B 121.64(19) . . ?
C20B C19B C26B 116.89(17) . . ?
C15B C20B C19B 120.7(2) . . ?
C22B C21B C24B 110.1(3) . . ?
C22B C21B C23B 107.3(2) . . ?
C24B C21B C23B 114.9(3) . . ?
C22B C21B C17B 104.9(2) . . ?
C24B C21B C17B 107.94(19) . . ?
C23B C21B C17B 111.2(2) . . ?
C28B C26B C27B 102.4(3) . . ?
C28B C26B C19B 115.0(3) . . ?
C27B C26B C19B 113.3(2) . . ?
C28B C26B C29B 108.4(3) . . ?
C27B C26B C29B 104.7(2) . . ?
C19B C26B C29B 112.1(2) . . ?
C35B C30B C31B 120.2(2) . . ?
C35B C30B P1B 122.6(2) . . ?
C31B C30B P1B 117.08(18) . . ?
C30B C31B C32B 119.5(2) . . ?
C33B C32B C31B 118.4(2) . . ?
C33B C32B C36B 122.52(16) . . ?
C31B C32B C36B 116.21(16) . . ?
C34B C33B C32B 122.34(17) . . ?
C34B C33B O6B 116.5(2) . . ?
C32B C33B O6B 120.0(2) . . ?
C33B C34B C35B 118.30(17) . . ?
C33B C34B C41B 122.03(16) . . ?
C35B C34B C41B 118.4(2) . . ?
C30B C35B C34B 120.3(2) . . ?
C37B C36B C39B 110.5(3) . . ?
C37B C36B C38B 107.1(2) . . ?
C39B C36B C38B 114.3(2) . . ?
C37B C36B C32B 105.9(2) . . ?
C39B C36B C32B 108.1(2) . . ?
C38B C36B C32B 110.5(2) . . ?
C43B C41B C42B 102.3(2) . . ?
C43B C41B C34B 115.9(3) . . ?
C42B C41B C34B 112.5(2) . . ?
C43B C41B C44B 108.0(2) . . ?
C42B C41B C44B 104.6(2) . . ?
C34B C41B C44B 112.50(18) . . ?
C50B C45B C46B 120.0(2) . . ?
C50B C45B P2B 116.3(2) . . ?
C46B C45B P2B 123.45(19) . . ?
C47B C46B C45B 119.0(2) . . ?
C48B C47B C46B 119.1(2) . . ?
C48B C47B C51B 122.62(15) . . ?
C46B C47B C51B 117.06(17) . . ?
O7B C48B C49B 126.3(5) . . ?
O7B C48B C47B 110.0(5) . . ?
C49B C48B C47B 121.50(17) . . ?
C48B C49B C50B 117.50(18) . . ?
C48B C49B C56B 121.44(17) . . ?
C50B C49B C56B 116.8(2) . . ?
C45B C50B C49B 121.1(2) . . ?
C52B C51B C54B 110.4(3) . . ?
C52B C51B C53B 107.2(2) . . ?
C54B C51B C53B 114.7(2) . . ?
C52B C51B C47B 106.2(2) . . ?
C54B C51B C47B 108.0(2) . . ?
C53B C51B C47B 110.0(2) . . ?
C58B C56B C57B 102.2(2) . . ?
C58B C56B C49B 115.2(2) . . ?
C57B C56B C49B 113.43(17) . . ?
C58B C56B C59B 108.0(3) . . ?
C57B C56B C59B 105.5(2) . . ?
C49B C56B C59B 111.6(2) . . ?
C65B C60B C61B 120.4(2) . . ?
C65B C60B P2B 119.1(2) . . ?
C61B C60B P2B 119.32(19) . . ?
C60B C61B C62B 119.7(2) . . ?
C63B C62B C61B 118.56(19) . . ?
C63B C62B C66B 123.46(18) . . ?
C61B C62B C66B 116.96(17) . . ?
C64B C63B C62B 122.36(19) . . ?
C64B C63B O8B 112.3(4) . . ?
C62B C63B O8B 124.2(4) . . ?
C63B C64B C65B 118.35(19) . . ?
C63B C64B C71B 121.16(18) . . ?
C65B C64B C71B 118.29(18) . . ?
C60B C65B C64B 119.9(2) . . ?
C67B C66B C69B 110.1(2) . . ?
C67B C66B C68B 107.0(2) . . ?
C69B C66B C68B 114.7(2) . . ?
C67B C66B C62B 106.12(19) . . ?
C69B C66B C62B 108.5(2) . . ?
C68B C66B C62B 110.2(2) . . ?
C73B C71B C72B 102.7(3) . . ?
C73B C71B C64B 114.9(2) . . ?
C72B C71B C64B 113.3(2) . . ?
C73B C71B C74B 108.2(2) . . ?
C72B C71B C74B 105.1(3) . . ?
C64B C71B C74B 111.8(2) . . ?
N1B C75B C76B 171.2(8) . . ?
C81B C76B C77B 121.0(2) . . ?
C81B C76B C75B 121.7(3) . . ?
C77B C76B C75B 117.2(2) . . ?
C78B C77B C76B 123.5(2) . . ?
C78B C77B O9B 121.6(4) . . ?
C76B C77B O9B 111.7(4) . . ?
C77B C78B C79B 111.9(3) . . ?
O10B C79B C78B 122.3(5) . . ?
O10B C79B C80B 111.8(5) . . ?
C78B C79B C80B 125.9(2) . . ?
C81B C80B C79B 117.8(3) . . ?
C80B C81B O11B 125.6(4) . . ?
C80B C81B C76B 118.1(3) . . ?
O11B C81B C76B 114.2(4) . . ?
N2B C85B C86B 158.4(9) . . ?
C91B C86B C87B 120.1(2) . . ?
C91B C86B C85B 121.3(3) . . ?
C87B C86B C85B 117.1(3) . . ?
C88B C87B C86B 123.9(3) . . ?
C88B C87B O12B 116.6(4) . . ?
C86B C87B O12B 119.2(4) . . ?
C87B C88B C89B 112.2(3) . . ?
C88B C89B C90B 125.6(3) . . ?
C88B C89B O13B 115.0(5) . . ?
C90B C89B O13B 118.7(5) . . ?
C91B C90B C89B 117.7(3) . . ?
C90B C91B O14B 127.0(5) . . ?
C90B C91B C86B 117.8(3) . . ?
O14B C91B C86B 113.4(5) . . ?
C75B N1B Au1B 158.8(9) . . ?
C85B N2B Au2B 159.5(10) . . ?
C5B O1B C4B 108.5(9) . . ?
C6B O2B C5B 101.2(9) . . ?
C9B O3B C10B 109.9(9) . . ?
C11B O4B C10B 105.3(9) . . ?
C18B O5B C25B 116.4(4) . . ?
C33B O6B C40B 117.1(4) . . ?
C48B O7B C55B 115.0(7) . . ?
C63B O8B C70B 112.3(7) . . ?
C82B O9B C77B 116.6(7) . . ?
C79B O10B C83B 120.2(7) . . ?
C84B O11B C81B 123.5(7) . . ?
C92B O12B C87B 125.6(9) . . ?
C93B O13B C89B 121.9(9) . . ?
C91B O14B C94B 113.6(8) . . ?
C15B P1B C30B 104.3(3) . . ?
C15B P1B C1B 106.0(4) . . ?
C30B P1B C1B 109.2(4) . . ?
C15B P1B Au1B 112.2(2) . . ?
C30B P1B Au1B 110.83(15) . . ?
C1B P1B Au1B 113.8(4) . . ?
C45B P2B C60B 106.9(2) . . ?
C45B P2B C14B 108.5(4) . . ?
C60B P2B C14B 107.8(4) . . ?
C45B P2B Au2B 111.30(16) . . ?
C60B P2B Au2B 107.11(19) . . ?
C14B P2B Au2B 114.9(4) . . ?
N1B Au1B P1B 179.7(4) . . ?
N2B Au2B P2B 170.4(4) . . ?
F4C Sb1C F2C 177.4 . . ?
F4C Sb1C F5C 89.0 . . ?
F2C Sb1C F5C 90.3 . . ?
F4C Sb1C F1C 90.4 . . ?
F2C Sb1C F1C 90.4 . . ?
F5C Sb1C F1C 179.0 . . ?
F4C Sb1C F6C 88.9 . . ?
F2C Sb1C F6C 88.6 . . ?
F5C Sb1C F6C 90.5 . . ?
F1C Sb1C F6C 90.2 . . ?
F4C Sb1C F3C 94.2 . . ?
F2C Sb1C F3C 88.3 . . ?
F5C Sb1C F3C 90.9 . . ?
F1C Sb1C F3C 88.4 . . ?
F6C Sb1C F3C 176.7 . . ?
F1C' Sb1' F4C' 90.6(2) . . ?
F1C' Sb1' F5C' 179.6(3) . . ?
F4C' Sb1' F5C' 89.0(2) . . ?
F1C' Sb1' F2C' 90.3(2) . . ?
F4C' Sb1' F2C' 177.9(2) . . ?
F5C' Sb1' F2C' 90.1(2) . . ?
F1C' Sb1' F6C' 89.8(2) . . ?
F4C' Sb1' F6C' 89.2(2) . . ?
F5C' Sb1' F6C' 90.4(2) . . ?
F2C' Sb1' F6C' 88.9(2) . . ?
F1C' Sb1' F3C' 88.7(2) . . ?
F4C' Sb1' F3C' 94.0(2) . . ?
F5C' Sb1' F3C' 91.2(2) . . ?
F2C' Sb1' F3C' 87.9(2) . . ?
F6C' Sb1' F3C' 176.4(2) . . ?
F4D Sb1D F2D 177.5 . . ?
F4D Sb1D F5D 88.9 . . ?
F2D Sb1D F5D 90.1 . . ?
F4D Sb1D F1D 90.5 . . ?
F2D Sb1D F1D 90.5 . . ?
F5D Sb1D F1D 179.0 . . ?
F4D Sb1D F6D 89.0 . . ?
F2D Sb1D F6D 88.7 . . ?
F5D Sb1D F6D 90.5 . . ?
F1D Sb1D F6D 90.3 . . ?
F4D Sb1D F3D 94.3 . . ?
F2D Sb1D F3D 88.0 . . ?
F5D Sb1D F3D 91.0 . . ?
F1D Sb1D F3D 88.2 . . ?
F6D Sb1D F3D 176.4 . . ?
F4E Sb1E F5E 88.9 . . ?
F4E Sb1E F2E 177.2 . . ?
F5E Sb1E F2E 90.0 . . ?
F4E Sb1E F1E 90.6 . . ?
F5E Sb1E F1E 179.1 . . ?
F2E Sb1E F1E 90.4 . . ?
F4E Sb1E F6E 88.7 . . ?
F5E Sb1E F6E 90.4 . . ?
F2E Sb1E F6E 88.8 . . ?
F1E Sb1E F6E 90.4 . . ?
F4E Sb1E F3E 94.4 . . ?
F5E Sb1E F3E 90.9 . . ?
F2E Sb1E F3E 88.2 . . ?
F1E Sb1E F3E 88.3 . . ?
F6E Sb1E F3E 176.7 . . ?
F2F Sb1F F4F 177.0 . . ?
F2F Sb1F F1F 90.7 . . ?
F4F Sb1F F1F 90.7 . . ?
F2F Sb1F F5F 89.9 . . ?
F4F Sb1F F5F 88.7 . . ?
F1F Sb1F F5F 178.8 . . ?
F2F Sb1F F6F 88.7 . . ?
F4F Sb1F F6F 88.6 . . ?
F1F Sb1F F6F 90.5 . . ?
F5F Sb1F F6F 90.5 . . ?
F2F Sb1F F3F 88.4 . . ?
F4F Sb1F F3F 94.3 . . ?
F1F Sb1F F3F 88.3 . . ?
F5F Sb1F F3F 90.8 . . ?
F6F Sb1F F3F 176.8 . . ?
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
C1A C2A 1.361(9) . ?
C1A C7A 1.435(9) . ?
C1A P1A 1.802(7) . ?
C2A C3A 1.390(10) . ?
C3A C4A 1.377(9) . ?
C4A C6A 1.304(9) . ?
C4A O1A 1.410(8) . ?
C5A O1A 1.313(9) . ?
C5A O2A 1.434(9) . ?
C6A C7A 1.404(9) . ?
C6A O2A 1.420(8) . ?
C7A C8A 1.499(9) . ?
C8A C14A 1.363(10) . ?
C8A C9A 1.394(9) . ?
C9A O3A 1.337(9) . ?
C9A C11A 1.423(10) . ?
C10A O3A 1.390(9) . ?
C10A O4A 1.434(10) . ?
C11A O4A 1.360(9) . ?
C11A C12A 1.372(10) . ?
C12A C13A 1.414(10) . ?
C13A C14A 1.428(9) . ?
C14A P2A 1.809(7) . ?
C15A C16A 1.3900 . ?
C15A C20A 1.3900 . ?
C15A P1A 1.845(2) . ?
C16A C17A 1.3900 . ?
C17A C18A 1.3900 . ?
C17A C21A 1.6175(19) . ?
C18A C19A 1.3900 . ?
C18A O5A 1.411(6) . ?
C19A C20A 1.3900 . ?
C19A C26A 1.560(2) . ?
C21A C24A 1.537(2) . ?
C21A C22A 1.542(2) . ?
C21A C23A 1.551(2) . ?
C25A O5A 1.461(8) . ?
C26A C28A 1.465(3) . ?
C26A C27A 1.550(2) . ?
C26A C29A 1.567(3) . ?
C30A C35A 1.387(3) . ?
C30A C31A 1.395(3) . ?
C30A P1A 1.794(3) . ?
C31A C32A 1.392(2) . ?
C32A C33A 1.392(2) . ?
C32A C36A 1.616(2) . ?
C33A C34A 1.382(2) . ?
C33A O6A 1.384(6) . ?
C34A C35A 1.396(2) . ?
C34A C41A 1.560(2) . ?
C36A C37A 1.534(3) . ?
C36A C39A 1.539(3) . ?
C36A C38A 1.557(3) . ?
C40A O6A 1.450(10) . ?
C41A C43A 1.470(3) . ?
C41A C42A 1.544(3) . ?
C41A C44A 1.565(3) . ?
C45A C46A 1.305(12) . ?
C45A C50A 1.424(12) . ?
C45A P2A 1.847(8) . ?
C46A C47A 1.420(11) . ?
C47A C48A 1.285(12) . ?
C47A C51A 1.543(4) . ?
C48A O7A 1.487(11) . ?
C48A C49A 1.560(13) . ?
C49A C50A 1.445(11) . ?
C49A C56A 1.456(4) . ?
C51A C54A 1.467(14) . ?
C51A C52A 1.544(14) . ?
C51A C53A 1.647(15) . ?
C55A O7A 1.452(4) . ?
C56A C57A 1.546(3) . ?
C56A C58A 1.547(4) . ?
C56A C59A 1.888(16) . ?
C60A C65A 1.388(2) . ?
C60A C61A 1.391(3) . ?
C60A P2A 1.810(3) . ?
C61A C62A 1.396(2) . ?
C62A C63A 1.390(2) . ?
C62A C66A 1.619(2) . ?
C63A C64A 1.384(2) . ?
C63A O8A 1.456(6) . ?
C64A C65A 1.394(3) . ?
C64A C71A 1.559(2) . ?
C66A C67A 1.534(3) . ?
C66A C69A 1.539(3) . ?
C66A C68A 1.554(3) . ?
C70A O8A 1.448(8) . ?
C71A C73A 1.468(3) . ?
C71A C72A 1.547(2) . ?
C71A C74A 1.566(3) . ?
C75A N2A 1.048(6) . ?
C75A C76A 1.4548 . ?
C76A C81A 1.376(2) . ?
C76A C77A 1.4271 . ?
C77A C78A 1.3358 . ?
C77A O9A 1.379(3) . ?
C78A C79A 1.402(3) . ?
C79A O10A 1.380(3) . ?
C79A C80A 1.433(3) . ?
C80A C81A 1.338(3) . ?
C81A O11A 1.334(4) . ?
C82A O9A 1.443(5) . ?
C83A O10A 1.439(5) . ?
C84A O11A 1.464(4) . ?
C85A N1A 1.111(7) . ?
C85A C86A 1.455(3) . ?
C86A C91A 1.380(3) . ?
C86A C87A 1.422(3) . ?
C87A C88A 1.337(3) . ?
C87A O12A 1.378(4) . ?
C88A C89A 1.402(3) . ?
C89A O13A 1.382(4) . ?
C89A C90A 1.431(3) . ?
C90A C91A 1.337(3) . ?
C91A O14A 1.335(4) . ?
C92A O12A 1.446(5) . ?
C93A O13A 1.442(5) . ?
C94A O14A 1.461(5) . ?
N1A Au1A 2.023(6) . ?
N2A Au2A 2.097(6) . ?
P1A Au2A 2.2424(16) . ?
P2A Au1A 2.2226(15) . ?
C1B C2B 1.242(16) . ?
C1B C7B 1.481(16) . ?
C1B P1B 1.878(13) . ?
C2B C3B 1.460(17) . ?
C3B C4B 1.238(16) . ?
C4B C6B 1.270(17) . ?
C4B O1B 1.434(15) . ?
C5B O1B 1.293(14) . ?
C5B O2B 1.516(15) . ?
C6B C7B 1.312(17) . ?
C6B O2B 1.428(14) . ?
C7B C8B 1.520(16) . ?
C8B C9B 1.339(18) . ?
C8B C14B 1.376(15) . ?
C9B O3B 1.289(14) . ?
C9B C11B 1.528(16) . ?
C10B O3B 1.488(15) . ?
C10B O4B 1.493(12) . ?
C11B O4B 1.331(15) . ?
C11B C12B 1.387(16) . ?
C12B C13B 1.420(17) . ?
C13B C14B 1.261(16) . ?
C14B P2B 1.930(13) . ?
C15B C20B 1.385(2) . ?
C15B C16B 1.392(3) . ?
C15B P1B 1.815(4) . ?
C16B C17B 1.393(3) . ?
C17B C18B 1.388(2) . ?
C17B C21B 1.616(2) . ?
C18B C19B 1.385(2) . ?
C18B O5B 1.425(3) . ?
C19B C20B 1.397(3) . ?
C19B C26B 1.563(2) . ?
C21B C22B 1.538(3) . ?
C21B C24B 1.540(3) . ?
C21B C23B 1.554(3) . ?
C25B O5B 1.437(4) . ?
C26B C28B 1.468(2) . ?
C26B C27B 1.545(3) . ?
C26B C29B 1.566(3) . ?
C30B C35B 1.387(3) . ?
C30B C31B 1.392(3) . ?
C30B P1B 1.858(4) . ?
C31B C32B 1.395(3) . ?
C32B C33B 1.391(2) . ?
C32B C36B 1.618(2) . ?
C33B C34B 1.383(2) . ?
C33B O6B 1.422(4) . ?
C34B C35B 1.394(3) . ?
C34B C41B 1.560(2) . ?
C36B C37B 1.535(3) . ?
C36B C39B 1.540(3) . ?
C36B C38B 1.555(3) . ?
C40B O6B 1.434(4) . ?
C41B C43B 1.467(3) . ?
C41B C42B 1.547(3) . ?
C41B C44B 1.566(3) . ?
C45B C50B 1.386(3) . ?
C45B C46B 1.393(3) . ?
C45B P2B 1.825(3) . ?
C46B C47B 1.392(2) . ?
C47B C48B 1.392(2) . ?
C47B C51B 1.618(2) . ?
C48B O7B 1.327(9) . ?
C48B C49B 1.388(2) . ?
C49B C50B 1.397(2) . ?
C49B C56B 1.564(2) . ?
C51B C52B 1.534(3) . ?
C51B C54B 1.539(3) . ?
C51B C53B 1.556(3) . ?
C55B O7B 1.559(12) . ?
C56B C58B 1.469(3) . ?
C56B C57B 1.544(3) . ?
C56B C59B 1.565(3) . ?
C60B C65B 1.388(3) . ?
C60B C61B 1.393(3) . ?
C60B P2B 1.842(4) . ?
C61B C62B 1.394(2) . ?
C62B C63B 1.389(2) . ?
C62B C66B 1.617(2) . ?
C63B C64B 1.385(3) . ?
C63B O8B 1.458(9) . ?
C64B C65B 1.395(3) . ?
C64B C71B 1.561(2) . ?
C66B C67B 1.535(3) . ?
C66B C69B 1.539(3) . ?
C66B C68B 1.555(3) . ?
C70B O8B 1.466(11) . ?
C71B C73B 1.469(3) . ?
C71B C72B 1.544(3) . ?
C71B C74B 1.566(3) . ?
C75B N1B 1.151(10) . ?
C75B C76B 1.455(3) . ?
C76B C81B 1.378(3) . ?
C76B C77B 1.426(3) . ?
C77B C78B 1.339(3) . ?
C77B O9B 1.472(8) . ?
C78B C79B 1.403(3) . ?
C79B O10B 1.284(9) . ?
C79B C80B 1.432(3) . ?
C80B C81B 1.337(3) . ?
C81B O11B 1.377(9) . ?
C82B O9B 1.383(12) . ?
C83B O10B 1.505(11) . ?
C84B O11B 1.347(11) . ?
C85B N2B 1.144(12) . ?
C85B C86B 1.455(3) . ?
C86B C91B 1.380(3) . ?
C86B C87B 1.426(3) . ?
C87B C88B 1.337(3) . ?
C87B O12B 1.437(11) . ?
C88B C89B 1.402(3) . ?
C89B C90B 1.432(3) . ?
C89B O13B 1.485(11) . ?
C90B C91B 1.337(3) . ?
C91B O14B 1.379(11) . ?
C92B O12B 1.291(13) . ?
C93B O13B 1.281(15) . ?
C94B O14B 1.484(14) . ?
N1B Au1B 2.064(9) . ?
N2B Au2B 2.079(12) . ?
P1B Au1B 2.248(3) . ?
P2B Au2B 2.246(3) . ?
Sb1C F4C 1.8936 . ?
Sb1C F2C 1.8936 . ?
Sb1C F5C 1.8949 . ?
Sb1C F1C 1.8954 . ?
Sb1C F6C 1.8984 . ?
Sb1C F3C 1.9049 . ?
Sb1' F1C' 1.887(2) . ?
Sb1' F4C' 1.892(3) . ?
Sb1' F5C' 1.895(3) . ?
Sb1' F2C' 1.897(3) . ?
Sb1' F6C' 1.903(2) . ?
Sb1' F3C' 1.903(3) . ?
Sb1D F4D 1.8908 . ?
Sb1D F2D 1.8918 . ?
Sb1D F5D 1.8938 . ?
Sb1D F1D 1.8951 . ?
Sb1D F6D 1.8981 . ?
Sb1D F3D 1.9070 . ?
Sb1E F4E 1.8896 . ?
Sb1E F5E 1.8933 . ?
Sb1E F2E 1.8935 . ?
Sb1E F1E 1.8940 . ?
Sb1E F6E 1.8968 . ?
Sb1E F3E 1.9065 . ?
Sb1F F2F 1.8913 . ?
Sb1F F4F 1.8924 . ?
Sb1F F1F 1.8929 . ?
Sb1F F5F 1.8962 . ?
Sb1F F6F 1.8978 . ?
Sb1F F3F 1.9065 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C7A C1A C2A C3A -0.5(10) . . . . ?
P1A C1A C2A C3A 178.3(5) . . . . ?
C1A C2A C3A C4A 2.3(10) . . . . ?
C2A C3A C4A C6A -1.5(10) . . . . ?
C2A C3A C4A O1A 177.2(6) . . . . ?
C3A C4A C6A C7A -1.3(11) . . . . ?
O1A C4A C6A C7A 179.9(6) . . . . ?
C3A C4A C6A O2A 177.2(6) . . . . ?
O1A C4A C6A O2A -1.7(8) . . . . ?
C4A C6A C7A C1A 3.0(10) . . . . ?
O2A C6A C7A C1A -175.3(6) . . . . ?
C4A C6A C7A C8A -179.0(7) . . . . ?
O2A C6A C7A C8A 2.7(10) . . . . ?
C2A C1A C7A C6A -2.0(9) . . . . ?
P1A C1A C7A C6A 179.3(5) . . . . ?
C2A C1A C7A C8A -179.9(6) . . . . ?
P1A C1A C7A C8A 1.3(9) . . . . ?
C6A C7A C8A C14A 83.3(9) . . . . ?
C1A C7A C8A C14A -98.9(8) . . . . ?
C6A C7A C8A C9A -92.6(8) . . . . ?
C1A C7A C8A C9A 85.1(8) . . . . ?
C14A C8A C9A O3A -173.3(7) . . . . ?
C7A C8A C9A O3A 2.9(11) . . . . ?
C14A C8A C9A C11A 3.6(10) . . . . ?
C7A C8A C9A C11A 179.8(6) . . . . ?
O3A C9A C11A O4A -2.9(8) . . . . ?
C8A C9A C11A O4A 179.6(6) . . . . ?
O3A C9A C11A C12A 177.7(6) . . . . ?
C8A C9A C11A C12A 0.2(11) . . . . ?
O4A C11A C12A C13A 176.9(7) . . . . ?
C9A C11A C12A C13A -3.9(10) . . . . ?
C11A C12A C13A C14A 3.8(10) . . . . ?
C9A C8A C14A C13A -3.6(10) . . . . ?
C7A C8A C14A C13A -179.4(6) . . . . ?
C9A C8A C14A P2A 175.9(5) . . . . ?
C7A C8A C14A P2A 0.1(9) . . . . ?
C12A C13A C14A C8A -0.1(10) . . . . ?
C12A C13A C14A P2A -179.6(5) . . . . ?
C20A C15A C16A C17A 0.0 . . . . ?
P1A C15A C16A C17A -166.51(9) . . . . ?
C15A C16A C17A C18A 0.0 . . . . ?
C15A C16A C17A C21A 179.72(8) . . . . ?
C16A C17A C18A C19A 0.0 . . . . ?
C21A C17A C18A C19A -179.69(9) . . . . ?
C16A C17A C18A O5A -152.6(3) . . . . ?
C21A C17A C18A O5A 27.8(3) . . . . ?
C17A C18A C19A C20A 0.0 . . . . ?
O5A C18A C19A C20A 153.4(3) . . . . ?
C17A C18A C19A C26A 179.76(9) . . . . ?
O5A C18A C19A C26A -26.8(3) . . . . ?
C18A C19A C20A C15A 0.0 . . . . ?
C26A C19A C20A C15A -179.77(9) . . . . ?
C16A C15A C20A C19A 0.0 . . . . ?
P1A C15A C20A C19A 166.99(8) . . . . ?
C16A C17A C21A C24A 62.14(18) . . . . ?
C18A C17A C21A C24A -118.15(17) . . . . ?
C16A C17A C21A C22A -54.90(13) . . . . ?
C18A C17A C21A C22A 124.80(12) . . . . ?
C16A C17A C21A C23A -169.86(14) . . . . ?
C18A C17A C21A C23A 9.84(16) . . . . ?
C18A C19A C26A C28A 68.1(2) . . . . ?
C20A C19A C26A C28A -112.11(19) . . . . ?
C18A C19A C26A C27A -49.6(2) . . . . ?
C20A C19A C26A C27A 130.2(2) . . . . ?
C18A C19A C26A C29A -166.10(17) . . . . ?
C20A C19A C26A C29A 13.66(19) . . . . ?
C35A C30A C31A C32A -3.1(7) . . . . ?
P1A C30A C31A C32A 173.1(3) . . . . ?
C30A C31A C32A C33A 7.1(6) . . . . ?
C30A C31A C32A C36A -164.4(3) . . . . ?
C31A C32A C33A C34A -9.4(5) . . . . ?
C36A C32A C33A C34A 161.6(3) . . . . ?
C31A C32A C33A O6A 168.9(5) . . . . ?
C36A C32A C33A O6A -20.0(6) . . . . ?
O6A C33A C34A C35A -170.9(5) . . . . ?
C32A C33A C34A C35A 7.5(6) . . . . ?
O6A C33A C34A C41A 21.3(6) . . . . ?
C32A C33A C34A C41A -160.3(3) . . . . ?
C31A C30A C35A C34A 1.2(7) . . . . ?
P1A C30A C35A C34A -175.1(4) . . . . ?
C33A C34A C35A C30A -3.3(7) . . . . ?
C41A C34A C35A C30A 165.1(4) . . . . ?
C33A C32A C36A C37A -175.9(3) . . . . ?
C31A C32A C36A C37A -4.7(4) . . . . ?
C33A C32A C36A C39A 65.4(4) . . . . ?
C31A C32A C36A C39A -123.4(3) . . . . ?
C33A C32A C36A C38A -60.2(3) . . . . ?
C31A C32A C36A C38A 110.9(3) . . . . ?
C33A C34A C41A C43A 178.2(4) . . . . ?
C35A C34A C41A C43A 10.3(5) . . . . ?
C33A C34A C41A C42A -64.5(4) . . . . ?
C35A C34A C41A C42A 127.5(4) . . . . ?
C33A C34A C41A C44A 54.0(4) . . . . ?
C35A C34A C41A C44A -113.9(4) . . . . ?
C50A C45A C46A C47A -26.4(16) . . . . ?
P2A C45A C46A C47A 174.5(8) . . . . ?
C45A C46A C47A C48A 16.7(15) . . . . ?
C45A C46A C47A C51A 177.5(10) . . . . ?
C46A C47A C48A O7A 178.6(8) . . . . ?
C51A C47A C48A O7A 19.0(16) . . . . ?
C46A C47A C48A C49A 3.4(15) . . . . ?
C51A C47A C48A C49A -156.2(9) . . . . ?
C47A C48A C49A C50A -11.8(14) . . . . ?
O7A C48A C49A C50A 172.5(7) . . . . ?
C47A C48A C49A C56A 169.5(9) . . . . ?
O7A C48A C49A C56A -6.2(12) . . . . ?
C46A C45A C50A C49A 14.9(15) . . . . ?
P2A C45A C50A C49A 175.3(7) . . . . ?
C56A C49A C50A C45A -178.9(8) . . . . ?
C48A C49A C50A C45A 2.3(12) . . . . ?
C48A C47A C51A C54A 46.8(13) . . . . ?
C46A C47A C51A C54A -111.7(10) . . . . ?
C48A C47A C51A C52A 177.2(10) . . . . ?
C46A C47A C51A C52A 18.8(12) . . . . ?
C48A C47A C51A C53A -68.3(12) . . . . ?
C46A C47A C51A C53A 133.3(9) . . . . ?
C50A C49A C56A C57A -52.1(10) . . . . ?
C48A C49A C56A C57A 126.4(9) . . . . ?
C50A C49A C56A C58A 150.4(8) . . . . ?
C48A C49A C56A C58A -31.1(10) . . . . ?
C50A C49A C56A C59A 48.7(9) . . . . ?
C48A C49A C56A C59A -132.8(9) . . . . ?
C65A C60A C61A C62A -8.4(6) . . . . ?
P2A C60A C61A C62A 176.0(3) . . . . ?
C60A C61A C62A C63A 7.8(6) . . . . ?
C60A C61A C62A C66A 171.6(3) . . . . ?
C61A C62A C63A C64A 2.4(6) . . . . ?
C66A C62A C63A C64A -160.1(3) . . . . ?
C61A C62A C63A O8A -171.0(5) . . . . ?
C66A C62A C63A O8A 26.5(6) . . . . ?
C62A C63A C64A C65A -11.8(6) . . . . ?
O8A C63A C64A C65A 162.0(4) . . . . ?
C62A C63A C64A C71A 172.3(3) . . . . ?
O8A C63A C64A C71A -13.9(6) . . . . ?
C61A C60A C65A C64A -1.1(7) . . . . ?
P2A C60A C65A C64A 174.5(3) . . . . ?
C63A C64A C65A C60A 11.1(6) . . . . ?
C71A C64A C65A C60A -172.9(4) . . . . ?
C63A C62A C66A C67A -124.2(3) . . . . ?
C61A C62A C66A C67A 72.8(3) . . . . ?
C63A C62A C66A C69A 117.3(3) . . . . ?
C61A C62A C66A C69A -45.7(3) . . . . ?
C63A C62A C66A C68A -8.6(4) . . . . ?
C61A C62A C66A C68A -171.6(3) . . . . ?
C63A C64A C71A C73A 67.7(4) . . . . ?
C65A C64A C71A C73A -108.2(4) . . . . ?
C63A C64A C71A C72A -174.9(4) . . . . ?
C65A C64A C71A C72A 9.2(4) . . . . ?
C63A C64A C71A C74A -57.3(4) . . . . ?
C65A C64A C71A C74A 126.9(4) . . . . ?
N2A C75A C76A C81A 43(9) . . . . ?
N2A C75A C76A C77A -140(9) . . . . ?
C81A C76A C77A C78A -7.4(2) . . . . ?
C75A C76A C77A C78A 175.7 . . . . ?
C81A C76A C77A O9A -175.1(4) . . . . ?
C75A C76A C77A O9A 8.0(3) . . . . ?
O9A C77A C78A C79A 168.3(5) . . . . ?
C76A C77A C78A C79A 1.5(3) . . . . ?
C77A C78A C79A O10A 178.5(3) . . . . ?
C77A C78A C79A C80A 1.4(4) . . . . ?
O10A C79A C80A C81A -175.6(3) . . . . ?
C78A C79A C80A C81A 1.7(5) . . . . ?
C79A C80A C81A O11A -176.3(3) . . . . ?
C79A C80A C81A C76A -7.5(4) . . . . ?
C77A C76A C81A O11A -179.7(2) . . . . ?
C75A C76A C81A O11A -3.1(4) . . . . ?
C77A C76A C81A C80A 10.3(4) . . . . ?
C75A C76A C81A C80A -173.1(2) . . . . ?
C78A C77A O9A C82A 6.8(5) . . . . ?
C76A C77A O9A C82A 174.9(3) . . . . ?
C78A C79A O10A C83A 4.1(6) . . . . ?
C80A C79A O10A C83A -178.5(3) . . . . ?
C80A C81A O11A C84A -8.0(6) . . . . ?
C76A C81A O11A C84A -177.2(4) . . . . ?
N1A C85A C86A C91A 110(4) . . . . ?
N1A C85A C86A C87A -76(4) . . . . ?
C91A C86A C87A C88A -8.1(5) . . . . ?
C85A C86A C87A C88A 177.7(4) . . . . ?
C91A C86A C87A O12A -179.4(4) . . . . ?
C85A C86A C87A O12A 6.5(5) . . . . ?
O12A C87A C88A C89A 177.9(4) . . . . ?
C86A C87A C88A C89A 7.1(5) . . . . ?
C87A C88A C89A O13A 175.6(4) . . . . ?
C87A C88A C89A C90A -4.2(5) . . . . ?
O13A C89A C90A C91A -178.0(4) . . . . ?
C88A C89A C90A C91A 1.8(5) . . . . ?
C89A C90A C91A O14A -172.5(4) . . . . ?
C89A C90A C91A C86A -2.1(5) . . . . ?
C87A C86A C91A O14A 176.5(3) . . . . ?
C85A C86A C91A O14A -9.5(5) . . . . ?
C87A C86A C91A C90A 5.0(5) . . . . ?
C85A C86A C91A C90A 178.9(4) . . . . ?
C88A C87A O12A C92A -5.8(7) . . . . ?
C86A C87A O12A C92A 165.8(4) . . . . ?
C88A C89A O13A C93A -20.7(7) . . . . ?
C90A C89A O13A C93A 159.1(5) . . . . ?
C90A C91A O14A C94A -9.4(7) . . . . ?
C86A C91A O14A C94A 179.9(5) . . . . ?
C86A C85A N1A Au1A -98(10) . . . . ?
C76A C75A N2A Au2A 36(12) . . . . ?
O2A C5A O1A C4A 12.6(8) . . . . ?
C6A C4A O1A C5A -6.6(8) . . . . ?
C3A C4A O1A C5A 174.7(7) . . . . ?
C4A C6A O2A C5A 8.5(7) . . . . ?
C7A C6A O2A C5A -173.0(6) . . . . ?
O1A C5A O2A C6A -13.3(7) . . . . ?
C8A C9A O3A C10A -172.2(7) . . . . ?
C11A C9A O3A C10A 10.6(8) . . . . ?
O4A C10A O3A C9A -14.0(8) . . . . ?
C12A C11A O4A C10A 173.6(8) . . . . ?
C9A C11A O4A C10A -5.7(8) . . . . ?
O3A C10A O4A C11A 12.0(8) . . . . ?
C19A C18A O5A C25A -91.8(5) . . . . ?
C17A C18A O5A C25A 61.9(6) . . . . ?
C34A C33A O6A C40A 82.7(7) . . . . ?
C32A C33A O6A C40A -95.8(7) . . . . ?
C47A C48A O7A C55A 98.2(10) . . . . ?
C49A C48A O7A C55A -85.7(8) . . . . ?
C64A C63A O8A C70A -100.5(5) . . . . ?
C62A C63A O8A C70A 73.3(6) . . . . ?
C35A C30A P1A C1A -100.4(4) . . . . ?
C31A C30A P1A C1A 83.3(4) . . . . ?
C35A C30A P1A C15A 145.9(4) . . . . ?
C31A C30A P1A C15A -30.3(4) . . . . ?
C35A C30A P1A Au2A 29.0(4) . . . . ?
C31A C30A P1A Au2A -147.2(3) . . . . ?
C2A C1A P1A C30A -19.0(6) . . . . ?
C7A C1A P1A C30A 159.8(5) . . . . ?
C2A C1A P1A C15A 93.5(5) . . . . ?
C7A C1A P1A C15A -87.8(5) . . . . ?
C2A C1A P1A Au2A -147.7(5) . . . . ?
C7A C1A P1A Au2A 31.0(6) . . . . ?
C16A C15A P1A C30A 97.16(14) . . . . ?
C20A C15A P1A C30A -69.68(14) . . . . ?
C16A C15A P1A C1A -17.9(2) . . . . ?
C20A C15A P1A C1A 175.3(2) . . . . ?
C16A C15A P1A Au2A -141.61(5) . . . . ?
C20A C15A P1A Au2A 51.56(9) . . . . ?
C8A C14A P2A C60A -90.8(6) . . . . ?
C13A C14A P2A C60A 88.8(5) . . . . ?
C8A C14A P2A C45A 156.7(6) . . . . ?
C13A C14A P2A C45A -23.7(6) . . . . ?
C8A C14A P2A Au1A 32.7(6) . . . . ?
C13A C14A P2A Au1A -147.8(4) . . . . ?
C65A C60A P2A C14A 170.9(4) . . . . ?
C61A C60A P2A C14A -13.5(5) . . . . ?
C65A C60A P2A C45A -75.0(5) . . . . ?
C61A C60A P2A C45A 100.6(4) . . . . ?
C65A C60A P2A Au1A 46.3(4) . . . . ?
C61A C60A P2A Au1A -138.0(3) . . . . ?
C46A C45A P2A C14A -102.5(9) . . . . ?
C50A C45A P2A C14A 97.3(8) . . . . ?
C46A C45A P2A C60A 144.2(9) . . . . ?
C50A C45A P2A C60A -15.9(8) . . . . ?
C46A C45A P2A Au1A 22.7(10) . . . . ?
C50A C45A P2A Au1A -137.4(7) . . . . ?
C85A N1A Au1A P2A 119(9) . . . . ?
C14A P2A Au1A N1A -151(2) . . . . ?
C60A P2A Au1A N1A -30(2) . . . . ?
C45A P2A Au1A N1A 87(2) . . . . ?
C75A N2A Au2A P1A 13(5) . . . . ?
C30A P1A Au2A N2A 120.3(15) . . . . ?
C1A P1A Au2A N2A -113.5(15) . . . . ?
C15A P1A Au2A N2A 4.9(15) . . . . ?
C7B C1B C2B C3B -5.2(19) . . . . ?
P1B C1B C2B C3B 179.4(9) . . . . ?
C1B C2B C3B C4B 10.3(18) . . . . ?
C2B C3B C4B C6B -7(2) . . . . ?
C2B C3B C4B O1B -179.8(10) . . . . ?
C3B C4B C6B C7B -1(2) . . . . ?
O1B C4B C6B C7B 172.4(12) . . . . ?
C3B C4B C6B O2B -175.0(13) . . . . ?
O1B C4B C6B O2B -1.4(14) . . . . ?
C4B C6B C7B C1B 7(2) . . . . ?
O2B C6B C7B C1B 179.9(10) . . . . ?
C4B C6B C7B C8B -179.1(13) . . . . ?
O2B C6B C7B C8B -5.8(19) . . . . ?
C2B C1B C7B C6B -2.9(17) . . . . ?
P1B C1B C7B C6B 172.5(9) . . . . ?
C2B C1B C7B C8B -177.2(12) . . . . ?
P1B C1B C7B C8B -1.8(16) . . . . ?
C6B C7B C8B C9B -89.1(16) . . . . ?
C1B C7B C8B C9B 84.3(15) . . . . ?
C6B C7B C8B C14B 90.7(17) . . . . ?
C1B C7B C8B C14B -95.8(17) . . . . ?
C14B C8B C9B O3B -175.3(13) . . . . ?
C7B C8B C9B O3B 5(2) . . . . ?
C14B C8B C9B C11B 0.3(18) . . . . ?
C7B C8B C9B C11B -179.9(11) . . . . ?
O3B C9B C11B O4B -3.7(13) . . . . ?
C8B C9B C11B O4B 179.7(11) . . . . ?
O3B C9B C11B C12B 173.9(11) . . . . ?
C8B C9B C11B C12B -2.7(18) . . . . ?
O4B C11B C12B C13B 179.0(12) . . . . ?
C9B C11B C12B C13B 2.2(17) . . . . ?
C11B C12B C13B C14B 0.8(18) . . . . ?
C12B C13B C14B C8B -4(2) . . . . ?
C12B C13B C14B P2B -179.6(9) . . . . ?
C9B C8B C14B C13B 3(2) . . . . ?
C7B C8B C14B C13B -176.7(13) . . . . ?
C9B C8B C14B P2B 179.0(9) . . . . ?
C7B C8B C14B P2B -0.9(17) . . . . ?
C20B C15B C16B C17B 6.5(8) . . . . ?
P1B C15B C16B C17B -174.0(4) . . . . ?
C15B C16B C17B C18B -11.3(6) . . . . ?
C15B C16B C17B C21B 173.7(4) . . . . ?
C16B C17B C18B C19B 8.6(6) . . . . ?
C21B C17B C18B C19B -176.8(3) . . . . ?
C16B C17B C18B O5B -161.1(4) . . . . ?
C21B C17B C18B O5B 13.5(6) . . . . ?
C17B C18B C19B C20B -0.9(6) . . . . ?
O5B C18B C19B C20B 169.6(4) . . . . ?
C17B C18B C19B C26B 157.7(3) . . . . ?
O5B C18B C19B C26B -31.8(5) . . . . ?
C16B C15B C20B C19B 1.3(9) . . . . ?
P1B C15B C20B C19B -178.3(4) . . . . ?
C18B C19B C20B C15B -4.1(8) . . . . ?
C26B C19B C20B C15B -163.7(5) . . . . ?
C18B C17B C21B C22B 144.9(3) . . . . ?
C16B C17B C21B C22B -40.4(4) . . . . ?
C18B C17B C21B C24B -97.7(4) . . . . ?
C16B C17B C21B C24B 77.0(4) . . . . ?
C18B C17B C21B C23B 29.2(4) . . . . ?
C16B C17B C21B C23B -156.1(3) . . . . ?
C18B C19B C26B C28B -163.3(4) . . . . ?
C20B C19B C26B C28B -4.4(5) . . . . ?
C18B C19B C26B C27B 79.4(4) . . . . ?
C20B C19B C26B C27B -121.7(4) . . . . ?
C18B C19B C26B C29B -38.8(4) . . . . ?
C20B C19B C26B C29B 120.0(4) . . . . ?
C35B C30B C31B C32B -11.3(7) . . . . ?
P1B C30B C31B C32B 171.4(4) . . . . ?
C30B C31B C32B C33B 10.1(6) . . . . ?
C30B C31B C32B C36B 171.3(4) . . . . ?
C31B C32B C33B C34B -5.6(5) . . . . ?
C36B C32B C33B C34B -165.5(3) . . . . ?
C31B C32B C33B O6B -172.5(4) . . . . ?
C36B C32B C33B O6B 27.5(5) . . . . ?
C32B C33B C34B C35B 1.9(5) . . . . ?
O6B C33B C34B C35B 169.3(4) . . . . ?
C32B C33B C34B C41B 168.7(3) . . . . ?
O6B C33B C34B C41B -23.9(4) . . . . ?
C31B C30B C35B C34B 7.6(7) . . . . ?
P1B C30B C35B C34B -175.3(4) . . . . ?
C33B C34B C35B C30B -2.8(6) . . . . ?
C41B C34B C35B C30B -170.2(4) . . . . ?
C33B C32B C36B C37B 177.7(3) . . . . ?
C31B C32B C36B C37B 17.4(4) . . . . ?
C33B C32B C36B C39B 59.2(4) . . . . ?
C31B C32B C36B C39B -101.1(4) . . . . ?
C33B C32B C36B C38B -66.6(4) . . . . ?
C31B C32B C36B C38B 133.1(3) . . . . ?
C33B C34B C41B C43B -146.8(3) . . . . ?
C35B C34B C41B C43B 20.1(4) . . . . ?
C33B C34B C41B C42B -29.5(4) . . . . ?
C35B C34B C41B C42B 137.3(3) . . . . ?
C33B C34B C41B C44B 88.3(3) . . . . ?
C35B C34B C41B C44B -104.8(4) . . . . ?
C50B C45B C46B C47B -10.5(8) . . . . ?
P2B C45B C46B C47B 176.0(4) . . . . ?
C45B C46B C47B C48B 13.0(7) . . . . ?
C45B C46B C47B C51B -179.3(4) . . . . ?
C46B C47B C48B O7B -177.9(6) . . . . ?
C51B C47B C48B O7B 15.1(7) . . . . ?
C46B C47B C48B C49B -13.5(6) . . . . ?
C51B C47B C48B C49B 179.4(3) . . . . ?
O7B C48B C49B C50B 172.6(7) . . . . ?
C47B C48B C49B C50B 10.9(5) . . . . ?
O7B C48B C49B C56B -31.3(8) . . . . ?
C47B C48B C49B C56B 167.1(3) . . . . ?
C46B C45B C50B C49B 8.2(8) . . . . ?
P2B C45B C50B C49B -177.9(4) . . . . ?
C48B C49B C50B C45B -8.2(7) . . . . ?
C56B C49B C50B C45B -165.5(4) . . . . ?
C48B C47B C51B C52B 175.4(3) . . . . ?
C46B C47B C51B C52B 8.1(4) . . . . ?
C48B C47B C51B C54B 57.0(4) . . . . ?
C46B C47B C51B C54B -110.3(4) . . . . ?
C48B C47B C51B C53B -68.9(4) . . . . ?
C46B C47B C51B C53B 123.8(4) . . . . ?
C48B C49B C56B C58B 176.7(3) . . . . ?
C50B C49B C56B C58B -27.0(4) . . . . ?
C48B C49B C56B C57B 59.4(3) . . . . ?
C50B C49B C56B C57B -144.3(3) . . . . ?
C48B C49B C56B C59B -59.6(3) . . . . ?
C50B C49B C56B C59B 96.7(4) . . . . ?
C65B C60B C61B C62B -8.8(5) . . . . ?
P2B C60B C61B C62B -176.2(3) . . . . ?
C60B C61B C62B C63B 2.8(5) . . . . ?
C60B C61B C62B C66B 171.6(3) . . . . ?
C61B C62B C63B C64B 1.0(5) . . . . ?
C66B C62B C63B C64B -167.1(3) . . . . ?
C61B C62B C63B O8B -165.7(5) . . . . ?
C66B C62B C63B O8B 26.2(6) . . . . ?
C62B C63B C64B C65B 1.1(5) . . . . ?
O8B C63B C64B C65B 169.3(5) . . . . ?
C62B C63B C64B C71B 164.0(3) . . . . ?
O8B C63B C64B C71B -27.8(5) . . . . ?
C61B C60B C65B C64B 10.9(6) . . . . ?
P2B C60B C65B C64B 178.4(3) . . . . ?
C63B C64B C65B C60B -7.0(6) . . . . ?
C71B C64B C65B C60B -170.4(4) . . . . ?
C63B C62B C66B C67B -116.9(3) . . . . ?
C61B C62B C66B C67B 74.9(3) . . . . ?
C63B C62B C66B C69B 1.4(3) . . . . ?
C61B C62B C66B C69B -166.8(3) . . . . ?
C63B C62B C66B C68B 127.7(3) . . . . ?
C61B C62B C66B C68B -40.6(3) . . . . ?
C63B C64B C71B C73B -45.5(4) . . . . ?
C65B C64B C71B C73B 117.4(4) . . . . ?
C63B C64B C71B C72B -163.1(3) . . . . ?
C65B C64B C71B C72B -0.2(4) . . . . ?
C63B C64B C71B C74B 78.4(3) . . . . ?
C65B C64B C71B C74B -118.8(4) . . . . ?
N1B C75B C76B C81B -76(4) . . . . ?
N1B C75B C76B C77B 108(4) . . . . ?
C81B C76B C77B C78B 8.2(6) . . . . ?
C75B C76B C77B C78B -175.5(4) . . . . ?
C81B C76B C77B O9B 167.8(5) . . . . ?
C75B C76B C77B O9B -15.9(6) . . . . ?
C76B C77B C78B C79B -13.1(6) . . . . ?
O9B C77B C78B C79B -170.8(6) . . . . ?
C77B C78B C79B O10B -176.5(6) . . . . ?
C77B C78B C79B C80B 6.5(6) . . . . ?
O10B C79B C80B C81B -171.5(6) . . . . ?
C78B C79B C80B C81B 5.8(6) . . . . ?
C79B C80B C81B O11B -173.9(6) . . . . ?
C79B C80B C81B C76B -11.4(6) . . . . ?
C77B C76B C81B C80B 5.4(6) . . . . ?
C75B C76B C81B C80B -170.7(4) . . . . ?
C77B C76B C81B O11B 169.8(6) . . . . ?
C75B C76B C81B O11B -6.3(7) . . . . ?
N2B C85B C86B C91B -44(3) . . . . ?
N2B C85B C86B C87B 151(2) . . . . ?
C91B C86B C87B C88B 9.1(6) . . . . ?
C85B C86B C87B C88B 175.1(4) . . . . ?
C91B C86B C87B O12B -164.0(6) . . . . ?
C85B C86B C87B O12B 2.0(8) . . . . ?
C86B C87B C88B C89B 3.9(6) . . . . ?
O12B C87B C88B C89B 177.1(6) . . . . ?
C87B C88B C89B C90B -8.0(6) . . . . ?
C87B C88B C89B O13B 162.0(6) . . . . ?
C88B C89B C90B C91B -1.2(6) . . . . ?
O13B C89B C90B C91B -170.9(6) . . . . ?
C89B C90B C91B O14B 178.4(7) . . . . ?
C89B C90B C91B C86B 14.4(6) . . . . ?
C87B C86B C91B C90B -18.5(6) . . . . ?
C85B C86B C91B C90B 176.0(4) . . . . ?
C87B C86B C91B O14B 175.4(7) . . . . ?
C85B C86B C91B O14B 10.0(8) . . . . ?
C76B C75B N1B Au1B -176(100) . . . . ?
C86B C85B N2B Au2B -149(2) . . . . ?
O2B C5B O1B C4B 12.2(12) . . . . ?
C3B C4B O1B C5B 166.4(13) . . . . ?
C6B C4B O1B C5B -7.4(14) . . . . ?
C4B C6B O2B C5B 8.1(13) . . . . ?
C7B C6B O2B C5B -166.2(12) . . . . ?
O1B C5B O2B C6B -12.5(12) . . . . ?
C8B C9B O3B C10B -165.7(13) . . . . ?
C11B C9B O3B C10B 18.2(12) . . . . ?
O4B C10B O3B C9B -25.5(11) . . . . ?
C12B C11B O4B C10B 170.9(14) . . . . ?
C9B C11B O4B C10B -12.1(12) . . . . ?
O3B C10B O4B C11B 21.7(11) . . . . ?
C19B C18B O5B C25B -92.5(5) . . . . ?
C17B C18B O5B C25B 77.9(6) . . . . ?
C34B C33B O6B C40B -84.3(4) . . . . ?
C32B C33B O6B C40B 83.4(4) . . . . ?
C49B C48B O7B C55B -60.6(10) . . . . ?
C47B C48B O7B C55B 102.8(7) . . . . ?
C64B C63B O8B C70B -100.9(7) . . . . ?
C62B C63B O8B C70B 67.0(8) . . . . ?
C78B C77B O9B C82B -13.9(11) . . . . ?
C76B C77B O9B C82B -174.0(7) . . . . ?
C78B C79B O10B C83B -0.2(12) . . . . ?
C80B C79B O10B C83B 177.2(7) . . . . ?
C80B C81B O11B C84B -16.6(13) . . . . ?
C76B C81B O11B C84B -179.7(8) . . . . ?
C88B C87B O12B C92B 4.2(14) . . . . ?
C86B C87B O12B C92B 177.7(9) . . . . ?
C88B C89B O13B C93B -173.3(9) . . . . ?
C90B C89B O13B C93B -2.5(14) . . . . ?
C90B C91B O14B C94B -6.4(13) . . . . ?
C86B C91B O14B C94B 158.1(7) . . . . ?
C20B C15B P1B C30B -71.8(5) . . . . ?
C16B C15B P1B C30B 108.7(5) . . . . ?
C20B C15B P1B C1B 172.9(6) . . . . ?
C16B C15B P1B C1B -6.6(6) . . . . ?
C20B C15B P1B Au1B 48.2(6) . . . . ?
C16B C15B P1B Au1B -131.3(4) . . . . ?
C35B C30B P1B C15B -26.3(5) . . . . ?
C31B C30B P1B C15B 150.9(4) . . . . ?
C35B C30B P1B C1B 86.7(6) . . . . ?
C31B C30B P1B C1B -96.1(5) . . . . ?
C35B C30B P1B Au1B -147.2(4) . . . . ?
C31B C30B P1B Au1B 30.0(4) . . . . ?
C2B C1B P1B C15B 84.9(11) . . . . ?
C7B C1B P1B C15B -90.5(9) . . . . ?
C2B C1B P1B C30B -27.0(12) . . . . ?
C7B C1B P1B C30B 157.6(8) . . . . ?
C2B C1B P1B Au1B -151.4(10) . . . . ?
C7B C1B P1B Au1B 33.2(10) . . . . ?
C50B C45B P2B C60B -31.2(5) . . . . ?
C46B C45B P2B C60B 142.5(4) . . . . ?
C50B C45B P2B C14B 84.8(6) . . . . ?
C46B C45B P2B C14B -101.5(6) . . . . ?
C50B C45B P2B Au2B -147.8(4) . . . . ?
C46B C45B P2B Au2B 25.9(6) . . . . ?
C65B C60B P2B C45B -67.7(4) . . . . ?
C61B C60B P2B C45B 99.9(3) . . . . ?
C65B C60B P2B C14B 175.8(5) . . . . ?
C61B C60B P2B C14B -16.6(5) . . . . ?
C65B C60B P2B Au2B 51.6(4) . . . . ?
C61B C60B P2B Au2B -140.7(3) . . . . ?
C13B C14B P2B C45B -23.2(11) . . . . ?
C8B C14B P2B C45B 160.5(8) . . . . ?
C13B C14B P2B C60B 92.2(10) . . . . ?
C8B C14B P2B C60B -84.2(9) . . . . ?
C13B C14B P2B Au2B -148.5(9) . . . . ?
C8B C14B P2B Au2B 35.2(10) . . . . ?
C75B N1B Au1B P1B 37(63) . . . . ?
C15B P1B Au1B N1B -46(63) . . . . ?
C30B P1B Au1B N1B 71(63) . . . . ?
C1B P1B Au1B N1B -166(100) . . . . ?
C85B N2B Au2B P2B 114(3) . . . . ?
C45B P2B Au2B N2B 96(2) . . . . ?
C60B P2B Au2B N2B -20(2) . . . . ?
C14B P2B Au2B N2B -140(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 0.248 -0.036 0.059 285 78 ' '
2 0.560 -0.284 0.250 972 334 ' '
3 0.252 -0.198 0.440 272 79 ' '
4 0.440 0.084 0.750 973 330 ' '
5 0.748 0.302 0.560 272 79 ' '
6 0.752 0.464 0.941 285 78 ' '
