# Electronic Supplementary Material (ESI) for Chemical Communications.
# This journal is © The Royal Society of Chemistry 2016

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

data_B_0m-sr
_database_code_depnum_ccdc_archive 'CCDC 1452868'
_audit_update_record             
;
2016-02-10 deposited with the CCDC.
2016-03-10 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        Au25-xAgx(SC6H11)18-
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'Ag19.40 Au5.60 S18 C108 H198; N C32 H68'
_chemical_formula_sum            'C140 H266 Ag19.40 Au5.60 N S18'
_chemical_formula_weight         5736.29

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'
N N 0.0311 0.0180 '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'
Ag Ag 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -4.4197 7.2980 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   17.0545(11)
_cell_length_b                   29.3289(19)
_cell_length_c                   35.668(2)
_cell_angle_alpha                85.911(4)
_cell_angle_beta                 89.317(4)
_cell_angle_gamma                86.562(4)
_cell_volume                     17763(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9870
_cell_measurement_theta_min      2.8
_cell_measurement_theta_max      67.5

_exptl_crystal_description       'parallel pipet'
_exptl_crystal_colour            dark
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.145
_exptl_crystal_F_000             11021
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.291
_exptl_crystal_size_mid          0.135
_exptl_crystal_size_min          0.072
_exptl_absorpt_coefficient_mu    27.431
_shelx_estimated_absorpt_T_min   0.05
_shelx_estimated_absorpt_T_max   0.22
_exptl_absorpt_correction_type   multi-scan'
_exptl_absorpt_correction_T_min  0.05
_exptl_absorpt_correction_T_max  0.22
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'ImuS micro-focus tube'
_diffrn_radiation_monochromator  'multi-layer optics'
_diffrn_measurement_device_type  'Bruker APEX II CCD area detector'
_diffrn_measurement_method       'omega and phi scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            53704
_diffrn_reflns_av_unetI/netI     0.1261
_diffrn_reflns_av_R_equivalents  ?
_diffrn_reflns_limit_h_min       ?
_diffrn_reflns_limit_h_max       ?
_diffrn_reflns_limit_k_min       ?
_diffrn_reflns_limit_k_max       ?
_diffrn_reflns_limit_l_min       ?
_diffrn_reflns_limit_l_max       ?
_diffrn_reflns_theta_min         2.816
_diffrn_reflns_theta_max         62.500
_diffrn_reflns_theta_full        62.500
_diffrn_measured_fraction_theta_max 0.947
_diffrn_measured_fraction_theta_full 0.947
_diffrn_reflns_Laue_measured_fraction_max 0.947
_diffrn_reflns_Laue_measured_fraction_full 0.947
_diffrn_reflns_point_group_measured_fraction_max 0.947
_diffrn_reflns_point_group_measured_fraction_full 0.947
_reflns_number_total             53704
_reflns_number_gt                34471
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          SQUEEZE
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1946P)²+296.9710P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         53704
_refine_ls_number_parameters     1850
_refine_ls_number_restraints     54
_refine_ls_R_factor_all          0.1674
_refine_ls_R_factor_gt           0.1159
_refine_ls_wR_factor_ref         0.3320
_refine_ls_wR_factor_gt          0.2973
_refine_ls_goodness_of_fit_ref   1.092
_refine_ls_restrained_S_all      1.091
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.48628(6) 0.01284(3) 0.76334(3) 0.0212(2) Uani 1 1 d . . . . .
Au2 Au 0.48245(10) -0.02075(6) 0.83810(5) 0.0274(4) Uani 0.18 1 d . . P . .
Au3 Au 0.48894(11) 0.04622(6) 0.68829(5) 0.0343(4) Uani 0.18 1 d . . P . .
Au4 Au 0.45496(10) 0.07693(5) 0.81627(5) 0.0240(4) Uani 0.15 1 d . . P . .
Au6 Au 0.42396(11) -0.07114(6) 0.77814(5) 0.0285(4) Uani 0.1 1 d . . P . .
Au7 Au 0.59378(10) -0.05996(6) 0.78543(5) 0.0283(4) Uani 0.18 1 d . . P . .
Au8 Au 0.61020(11) 0.03331(6) 0.80700(5) 0.0272(4) Uani 0.07 1 d . . P . .
Au9 Au 0.54912(11) 0.09740(6) 0.74850(5) 0.0283(4) Uani 0.07 1 d . . P . .
Au10 Au 0.37882(10) 0.08477(6) 0.74235(5) 0.0291(4) Uani 0.18 1 d . . P . .
Au11 Au 0.36087(11) -0.00722(7) 0.72022(5) 0.0324(4) Uani 0.1 1 d . . P . .
Au12 Au 0.51820(11) -0.05172(6) 0.71098(5) 0.0306(4) Uani 0.15 1 d . . P . .
Au13 Au 0.63261(11) 0.01314(6) 0.72973(5) 0.0307(4) Uani 0.07 1 d . . P . .
Au15 Au 0.59421(8) 0.13932(5) 0.82326(4) 0.0295(3) Uani 0.55 1 d . . P . .
Au17 Au 0.37995(10) -0.11030(5) 0.70070(4) 0.0377(4) Uani 0.55 1 d . . P . .
Au19 Au 0.20989(9) 0.05238(5) 0.73915(4) 0.0284(3) Uani 0.5 1 d . . P . .
Au20 Au 0.33484(8) -0.06916(4) 0.85534(4) 0.0258(3) Uani 0.55 1 d . . P . .
Au22 Au 0.76052(9) -0.03318(5) 0.78980(4) 0.0311(3) Uani 0.5 1 d . . P . .
Au25 Au 0.64102(9) 0.09273(5) 0.66979(4) 0.0371(4) Uani 0.55 1 d . . P . .
Au26 Au 0.0000 0.5000 1.0000 0.0232(4) Uani 1 2 d S . P . .
Au27 Au -0.07447(12) 0.43399(6) 0.96333(5) 0.0330(5) Uani 0.08 1 d . . P . .
Au28 Au -0.00657(11) 0.58806(6) 0.96653(5) 0.0298(4) Uani 0.15 1 d . . P . .
Au29 Au 0.00957(11) 0.50725(6) 0.92191(5) 0.0298(4) Uani 0.15 1 d . . P . .
Au30 Au 0.09947(11) 0.43718(6) 0.96661(5) 0.0296(4) Uani 0.15 1 d . . P . .
Au31 Au 0.13614(11) 0.47170(6) 1.03911(5) 0.0300(4) Uani 0.08 1 d . . P . .
Au32 Au 0.14053(11) 0.53121(6) 0.97068(5) 0.0301(4) Uani 0.08 1 d . . P . .
Au34 Au -0.14035(12) 0.48262(7) 0.88521(5) 0.0482(5) Uani 0.5 1 d . . P . .
Au37 Au 0.27488(9) 0.45420(5) 0.98430(4) 0.0329(4) Uani 0.5 1 d . . P . .
Au38 Au 0.13986(9) 0.64076(5) 0.97873(4) 0.0329(4) Uani 0.5 1 d . . P . .
Au39 Au 0.0000 0.5000 0.5000 0.0232(3) Uani 1 2 d S . P . .
Au40 Au -0.14172(11) 0.48062(6) 0.53354(5) 0.0307(4) Uani 0.08 1 d . . P . .
Au41 Au 0.11170(11) 0.42691(6) 0.49673(5) 0.0300(4) Uani 0.15 1 d . . P . .
Au42 Au -0.02624(11) 0.53433(6) 0.57034(5) 0.0286(4) Uani 0.15 1 d . . P . .
Au43 Au 0.00669(11) 0.43579(6) 0.56189(5) 0.0292(4) Uani 0.15 1 d . . P . .
Au44 Au 0.05599(11) 0.58489(7) 0.51002(5) 0.0331(4) Uani 0.12 1 d . . P . .
Au45 Au 0.12800(11) 0.50172(7) 0.54634(5) 0.0294(4) Uani 0.08 1 d . . P . .
Au46 Au -0.14052(9) 0.38071(5) 0.56763(4) 0.0326(4) Uani 0.55 1 d . . P . .
Au48 Au 0.10546(9) 0.59257(5) 0.59277(4) 0.0325(3) Uani 0.55 1 d . . P . .
Au50 Au 0.27785(9) 0.45441(5) 0.51095(4) 0.0355(4) Uani 0.55 1 d . . P . .
Ag2 Ag 0.48245(10) -0.02075(6) 0.83810(5) 0.0274(4) Uani 0.82 1 d . . P . .
Ag3 Ag 0.48894(11) 0.04622(6) 0.68829(5) 0.0343(4) Uani 0.82 1 d . . P . .
Ag4 Ag 0.45496(10) 0.07693(5) 0.81627(5) 0.0240(4) Uani 0.85 1 d . . P . .
Ag5 Ag 0.33898(10) 0.01223(6) 0.79735(5) 0.0220(4) Uani 1 1 d . . . . .
Ag6 Ag 0.42396(11) -0.07114(6) 0.77814(5) 0.0285(4) Uani 0.9 1 d . . P . .
Ag7 Ag 0.59378(10) -0.05996(6) 0.78543(5) 0.0283(4) Uani 0.82 1 d . . P . .
Ag8 Ag 0.61020(11) 0.03331(6) 0.80700(5) 0.0272(4) Uani 0.93 1 d . . P . .
Ag9 Ag 0.54912(11) 0.09740(6) 0.74850(5) 0.0283(4) Uani 0.93 1 d . . P . .
Ag10 Ag 0.37882(10) 0.08477(6) 0.74235(5) 0.0291(4) Uani 0.82 1 d . . P . .
Ag11 Ag 0.36087(11) -0.00722(7) 0.72022(5) 0.0324(4) Uani 0.9 1 d . . P . .
Ag12 Ag 0.51820(11) -0.05172(6) 0.71098(5) 0.0306(4) Uani 0.85 1 d . . P . .
Ag13 Ag 0.63261(11) 0.01314(6) 0.72973(5) 0.0307(4) Uani 0.93 1 d . . P . .
Ag14 Ag 0.57260(14) 0.03988(7) 0.88727(6) 0.0393(5) Uani 1 1 d . . . . .
Ag15 Ag 0.59421(8) 0.13932(5) 0.82326(4) 0.0295(3) Uani 0.45 1 d . . P . .
Ag16 Ag 0.3864(2) -0.00969(9) 0.63978(7) 0.0595(8) Uani 1 1 d . . . . .
Ag17 Ag 0.37995(10) -0.11030(5) 0.70070(4) 0.0377(4) Uani 0.45 1 d . . P . .
Ag18 Ag 0.27412(12) 0.09857(7) 0.82342(6) 0.0315(5) Uani 1 1 d . . . . .
Ag19 Ag 0.20989(9) 0.05238(5) 0.73915(4) 0.0284(3) Uani 0.5 1 d . . P . .
Ag20 Ag 0.33484(8) -0.06916(4) 0.85534(4) 0.0258(3) Uani 0.45 1 d . . P . .
Ag21 Ag 0.51141(12) -0.13283(7) 0.83207(6) 0.0331(5) Uani 1 1 d . . . . .
Ag22 Ag 0.76052(9) -0.03318(5) 0.78980(4) 0.0311(3) Uani 0.5 1 d . . P . .
Ag23 Ag 0.69480(14) -0.07510(9) 0.70712(8) 0.0485(6) Uani 1 1 d . . . . .
Ag24 Ag 0.46425(13) 0.15599(7) 0.69061(6) 0.0410(6) Uani 1 1 d . . . . .
Ag25 Ag 0.64102(9) 0.09273(5) 0.66979(4) 0.0371(4) Uani 0.45 1 d . . P . .
Ag27 Ag -0.07447(12) 0.43399(6) 0.96333(5) 0.0330(5) Uani 0.92 1 d . . P . .
Ag28 Ag -0.00657(11) 0.58806(6) 0.96653(5) 0.0298(4) Uani 0.85 1 d . . P . .
Ag29 Ag 0.00957(11) 0.50725(6) 0.92191(5) 0.0298(4) Uani 0.85 1 d . . P . .
Ag30 Ag 0.09947(11) 0.43718(6) 0.96661(5) 0.0296(4) Uani 0.85 1 d . . P . .
Ag31 Ag 0.13614(11) 0.47170(6) 1.03911(5) 0.0300(4) Uani 0.92 1 d . . P . .
Ag32 Ag 0.14053(11) 0.53121(6) 0.97068(5) 0.0301(4) Uani 0.92 1 d . . P . .
Ag33 Ag -0.11616(16) 0.59455(8) 0.89486(7) 0.0506(7) Uani 1 1 d . . . . .
Ag34 Ag -0.14035(12) 0.48262(7) 0.88521(5) 0.0482(5) Uani 0.5 1 d . . P . .
Ag35 Ag 0.02473(14) 0.34732(7) 0.95987(7) 0.0442(6) Uani 1 1 d . . . . .
Ag36 Ag 0.17635(13) 0.49132(7) 0.89822(6) 0.0360(5) Uani 1 1 d . . . . .
Ag37 Ag 0.27488(9) 0.45420(5) 0.98430(4) 0.0329(4) Uani 0.5 1 d . . P . .
Ag38 Ag 0.13986(9) 0.64076(5) 0.97873(4) 0.0329(4) Uani 0.5 1 d . . P . .
Ag40 Ag -0.14172(11) 0.48062(6) 0.53354(5) 0.0307(4) Uani 0.92 1 d . . P . .
Ag41 Ag 0.11170(11) 0.42691(6) 0.49673(5) 0.0300(4) Uani 0.85 1 d . . P . .
Ag42 Ag -0.02624(11) 0.53433(6) 0.57034(5) 0.0286(4) Uani 0.85 1 d . . P . .
Ag43 Ag 0.00669(11) 0.43579(6) 0.56189(5) 0.0292(4) Uani 0.85 1 d . . P . .
Ag44 Ag 0.05599(11) 0.58489(7) 0.51002(5) 0.0331(4) Uani 0.88 1 d . . P . .
Ag45 Ag 0.12800(11) 0.50172(7) 0.54634(5) 0.0294(4) Uani 0.92 1 d . . P . .
Ag46 Ag -0.14052(9) 0.38071(5) 0.56763(4) 0.0326(4) Uani 0.45 1 d . . P . .
Ag47 Ag 0.03481(14) 0.33637(8) 0.52731(7) 0.0439(6) Uani 1 1 d . . . . .
Ag48 Ag 0.10546(9) 0.59257(5) 0.59277(4) 0.0325(3) Uani 0.45 1 d . . P . .
Ag49 Ag 0.09939(14) 0.47180(8) 0.62552(6) 0.0407(6) Uani 1 1 d . . . . .
Ag50 Ag 0.27785(9) 0.45441(5) 0.51095(4) 0.0355(4) Uani 0.45 1 d . . P . .
Ag51 Ag 0.19966(13) 0.44915(9) 0.41861(6) 0.0411(5) Uani 1 1 d . . . . .
S1 S 0.5122(4) -0.0313(3) 0.90532(19) 0.0368(18) Uani 1 1 d . . . . .
S2 S 0.6245(4) 0.1145(2) 0.88503(18) 0.0284(14) Uani 1 1 d . . . . .
S3 S 0.5636(4) 0.1770(2) 0.7652(2) 0.0303(15) Uani 1 1 d . . . . .
S4 S 0.4520(6) 0.0596(3) 0.6219(2) 0.047(2) Uani 1 1 d . . . . .
S5 S 0.3404(5) -0.0851(3) 0.6397(2) 0.0438(19) Uani 1 1 d . . . . .
S6 S 0.4121(5) -0.1491(2) 0.75866(19) 0.0335(16) Uani 1 1 d . . . . .
S7 S 0.3789(4) 0.1264(2) 0.8575(2) 0.0288(14) Uani 1 1 d . . . . .
S8 S 0.1559(4) 0.0919(2) 0.78915(19) 0.0270(14) Uani 1 1 d . . . . .
S9 S 0.2402(4) 0.0155(2) 0.68314(18) 0.0332(16) Uani 1 1 d . . . . .
S10 S 0.2632(4) 0.0012(2) 0.85773(19) 0.0276(15) Uani 1 1 d . . . . .
S11 S 0.3852(4) -0.1446(2) 0.86140(18) 0.0258(14) Uani 1 1 d . . . . .
S12 S 0.6506(4) -0.1291(2) 0.82279(19) 0.0315(16) Uani 1 1 d . . . . .
S13 S 0.7243(4) 0.0054(2) 0.84471(18) 0.0302(15) Uani 1 1 d . . . . .
S14 S 0.8164(5) -0.0713(3) 0.7400(2) 0.0387(17) Uani 1 1 d . . . . .
S15 S 0.5938(5) -0.1055(4) 0.6714(2) 0.054(2) Uani 1 1 d . . . . .
S16 S 0.3278(4) 0.1552(2) 0.7067(2) 0.0344(16) Uani 1 1 d . . . . .
S17 S 0.5886(5) 0.1678(3) 0.6612(3) 0.047(2) Uani 1 1 d . . . . .
S18 S 0.7097(4) 0.0213(3) 0.66976(19) 0.0358(17) Uani 1 1 d . . . . .
S19 S -0.1198(6) 0.4041(3) 0.9058(2) 0.058(3) Uani 1 1 d . . . . .
S20 S -0.1861(5) 0.5505(3) 0.8556(2) 0.049(2) Uani 1 1 d . . . . .
S21 S -0.0490(5) 0.6521(2) 0.9221(2) 0.047(2) Uani 1 1 d . . . . .
S22 S 0.0645(5) 0.4986(2) 0.85718(18) 0.0388(18) Uani 1 1 d . . . . .
S23 S 0.3070(5) 0.4788(2) 0.9222(2) 0.0372(17) Uani 1 1 d . . . . .
S24 S 0.2608(4) 0.4236(2) 1.04637(19) 0.0331(16) Uani 1 1 d . . . . .
S25 S 0.1483(5) 0.3704(2) 0.93414(19) 0.0342(16) Uani 1 1 d . . . . .
S26 S 0.2193(4) 0.5930(2) 0.9426(2) 0.0357(17) Uani 1 1 d . . . . .
S27 S 0.0784(4) 0.6975(2) 1.0136(2) 0.0372(17) Uani 1 1 d . . . . .
S28 S -0.2143(4) 0.4446(3) 0.58741(19) 0.0340(17) Uani 1 1 d . . . . .
S29 S -0.0795(5) 0.3092(3) 0.5581(2) 0.0421(19) Uani 1 1 d . . . . .
S30 S 0.1617(5) 0.3463(2) 0.4994(2) 0.0424(19) Uani 1 1 d . . . . .
S31 S 0.0455(4) 0.3978(2) 0.62244(19) 0.0347(17) Uani 1 1 d . . . . .
S32 S 0.1465(4) 0.5431(2) 0.64337(19) 0.0346(17) Uani 1 1 d . . . . .
S33 S 0.0689(4) 0.6517(3) 0.54737(19) 0.0335(16) Uani 1 1 d . . . . .
S34 S 0.2471(5) 0.4611(3) 0.5748(2) 0.0395(18) Uani 1 1 d . . . . .
S35 S 0.3237(4) 0.4449(3) 0.4502(2) 0.0415(19) Uani 1 1 d . . . . .
S36 S 0.0981(4) 0.4410(3) 0.37341(19) 0.0334(16) Uani 1 1 d . . . . .
N1 N 0.4037(19) 0.5830(10) 0.7569(8) 0.054(8) Uani 1 1 d . . . . .
C1A C 0.334(2) 0.5557(14) 0.7604(11) 0.060(10) Uiso 1 1 d . . . . .
H1AA H 0.2872 0.5770 0.7587 0.072 Uiso 1 1 calc R U . . .
H1AB H 0.3346 0.5400 0.7859 0.072 Uiso 1 1 calc R U . . .
C2A C 0.325(3) 0.5190(14) 0.7317(13) 0.070(11) Uiso 1 1 d . . . . .
H2AA H 0.2935 0.5328 0.7104 0.084 Uiso 1 1 calc R U . . .
H2AB H 0.3780 0.5097 0.7218 0.084 Uiso 1 1 calc R U . . .
C3A C 0.288(2) 0.4780(13) 0.7478(11) 0.057(9) Uiso 1 1 d . . . . .
H3AA H 0.2361 0.4869 0.7582 0.069 Uiso 1 1 calc R U . . .
H3AB H 0.3209 0.4632 0.7685 0.069 Uiso 1 1 calc R U . . .
C4A C 0.279(2) 0.4440(11) 0.7176(9) 0.044(8) Uiso 1 1 d . . . . .
H4AA H 0.3323 0.4352 0.7077 0.053 Uiso 1 1 calc R U . . .
H4AB H 0.2489 0.4597 0.6965 0.053 Uiso 1 1 calc R U . . .
C5A C 0.239(2) 0.3999(13) 0.7308(11) 0.057(9) Uiso 1 1 d . . . . .
H5AA H 0.2690 0.3842 0.7521 0.068 Uiso 1 1 calc R U . . .
H5AB H 0.1856 0.4084 0.7401 0.068 Uiso 1 1 calc R U . . .
C6A C 0.233(2) 0.3672(13) 0.7002(11) 0.061(10) Uiso 1 1 d . . . . .
H6AA H 0.2862 0.3582 0.6909 0.073 Uiso 1 1 calc R U . . .
H6AB H 0.2027 0.3825 0.6789 0.073 Uiso 1 1 calc R U . . .
C7A C 0.191(2) 0.3232(13) 0.7157(11) 0.057(9) Uiso 1 1 d . . . . .
H7AA H 0.1366 0.3314 0.7234 0.068 Uiso 1 1 calc R U . . .
H7AB H 0.2198 0.3083 0.7378 0.068 Uiso 1 1 calc R U . . .
C8A C 0.192(4) 0.289(2) 0.681(2) 0.15(3) Uiso 1 1 d . . . . .
H8AA H 0.1651 0.3042 0.6595 0.225 Uiso 1 1 calc R U . . .
H8AB H 0.1659 0.2610 0.6895 0.225 Uiso 1 1 calc R U . . .
H8AC H 0.2469 0.2804 0.6743 0.225 Uiso 1 1 calc R U . . .
C1B C 0.406(2) 0.6122(13) 0.7177(11) 0.056(9) Uiso 1 1 d . . . . .
H1BA H 0.4581 0.6252 0.7150 0.067 Uiso 1 1 calc R U . . .
H1BB H 0.4017 0.5909 0.6976 0.067 Uiso 1 1 calc R U . . .
C2B C 0.347(2) 0.6491(13) 0.7112(11) 0.059(10) Uiso 1 1 d . . . . .
H2BA H 0.3550 0.6734 0.7284 0.071 Uiso 1 1 calc R U . . .
H2BB H 0.2942 0.6377 0.7160 0.071 Uiso 1 1 calc R U . . .
C3B C 0.354(2) 0.6692(13) 0.6693(11) 0.057(9) Uiso 1 1 d . . . . .
H3BA H 0.4091 0.6749 0.6633 0.069 Uiso 1 1 calc R U . . .
H3BB H 0.3367 0.6463 0.6524 0.069 Uiso 1 1 calc R U . . .
C4B C 0.302(2) 0.7144(14) 0.6619(12) 0.062(10) Uiso 1 1 d . . . . .
H4BA H 0.3115 0.7265 0.6357 0.074 Uiso 1 1 calc R U . . .
H4BB H 0.3200 0.7371 0.6788 0.074 Uiso 1 1 calc R U . . .
C5B C 0.212(2) 0.7098(13) 0.6680(11) 0.055(9) Uiso 1 1 d . . . . .
H5BA H 0.1952 0.6849 0.6532 0.066 Uiso 1 1 calc R U . . .
H5BB H 0.2021 0.7009 0.6948 0.066 Uiso 1 1 calc R U . . .
C6B C 0.165(2) 0.7513(13) 0.6573(12) 0.060(10) Uiso 1 1 d . . . . .
H6BA H 0.1738 0.7596 0.6303 0.072 Uiso 1 1 calc R U . . .
H6BB H 0.1832 0.7764 0.6715 0.072 Uiso 1 1 calc R U . . .
C7B C 0.081(3) 0.7481(18) 0.6639(16) 0.090(15) Uiso 1 1 d . . . . .
H7BA H 0.0612 0.7246 0.6483 0.108 Uiso 1 1 calc R U . . .
H7BB H 0.0716 0.7380 0.6906 0.108 Uiso 1 1 calc R U . . .
C8B C 0.037(3) 0.791(2) 0.6551(18) 0.109(19) Uiso 1 1 d . . . . .
H8BA H 0.0728 0.8163 0.6548 0.164 Uiso 1 1 calc R U . . .
H8BB H -0.0040 0.7958 0.6741 0.164 Uiso 1 1 calc R U . . .
H8BC H 0.0130 0.7909 0.6303 0.164 Uiso 1 1 calc R U . . .
C1C C 0.480(3) 0.5509(15) 0.7561(12) 0.075(12) Uiso 1 1 d D U . . .
H1CA H 0.5269 0.5691 0.7563 0.090 Uiso 1 1 calc R U . . .
H1CB H 0.4816 0.5341 0.7329 0.090 Uiso 1 1 calc R U . . .
C2C C 0.479(3) 0.5161(15) 0.7916(12) 0.081(12) Uiso 1 1 d D U . . .
H2CA H 0.4773 0.5324 0.8150 0.097 Uiso 1 1 calc R U . . .
H2CB H 0.4337 0.4968 0.7912 0.097 Uiso 1 1 calc R U . . .
C3C C 0.558(3) 0.486(2) 0.7888(17) 0.120(18) Uiso 1 1 d D U . . .
H3CA H 0.5628 0.4655 0.8120 0.144 Uiso 1 1 calc R U . . .
H3CB H 0.6018 0.5071 0.7892 0.144 Uiso 1 1 calc R U . . .
C4C C 0.573(4) 0.4561(19) 0.7545(18) 0.131(19) Uiso 1 1 d D U . . .
H4CA H 0.5620 0.4753 0.7310 0.157 Uiso 1 1 calc R U . . .
H4CB H 0.6298 0.4458 0.7539 0.157 Uiso 1 1 calc R U . . .
C5C C 0.523(3) 0.4130(18) 0.7554(17) 0.117(17) Uiso 1 1 d D U . . .
H5CA H 0.4669 0.4231 0.7529 0.141 Uiso 1 1 calc R U . . .
H5CB H 0.5302 0.3952 0.7799 0.141 Uiso 1 1 calc R U . . .
C6C C 0.547(3) 0.3813(18) 0.7229(17) 0.112(17) Uiso 1 1 d D U . . .
H6CA H 0.5417 0.3981 0.6979 0.134 Uiso 1 1 calc R U . . .
H6CB H 0.6018 0.3681 0.7259 0.134 Uiso 1 1 calc R U . . .
C7C C 0.486(3) 0.3436(19) 0.7289(17) 0.121(19) Uiso 1 1 d D U . . .
H7CA H 0.4981 0.3242 0.7522 0.145 Uiso 1 1 calc R U . . .
H7CB H 0.4324 0.3582 0.7314 0.145 Uiso 1 1 calc R U . . .
C8C C 0.490(4) 0.314(2) 0.6942(17) 0.13(2) Uiso 1 1 d D U . . .
H8CA H 0.4807 0.3333 0.6711 0.191 Uiso 1 1 calc R U . . .
H8CB H 0.4499 0.2910 0.6969 0.191 Uiso 1 1 calc R U . . .
H8CC H 0.5422 0.2978 0.6928 0.191 Uiso 1 1 calc R U . . .
C1D C 0.396(2) 0.6161(15) 0.7888(13) 0.070(11) Uiso 1 1 d . . . . .
H1DA H 0.3438 0.6326 0.7870 0.084 Uiso 1 1 calc R U . . .
H1DB H 0.3980 0.5977 0.8132 0.084 Uiso 1 1 calc R U . . .
C2D C 0.459(2) 0.6512(15) 0.7888(13) 0.068(11) Uiso 1 1 d . . . . .
H2DA H 0.5112 0.6355 0.7922 0.082 Uiso 1 1 calc R U . . .
H2DB H 0.4581 0.6699 0.7646 0.082 Uiso 1 1 calc R U . . .
C3D C 0.441(3) 0.680(2) 0.8191(18) 0.107(18) Uiso 1 1 d . . . . .
H3DA H 0.4434 0.6604 0.8430 0.128 Uiso 1 1 calc R U . . .
H3DB H 0.3866 0.6930 0.8162 0.128 Uiso 1 1 calc R U . . .
C4D C 0.495(4) 0.719(2) 0.822(2) 0.13(2) Uiso 1 1 d . . . . .
H4DA H 0.4686 0.7440 0.8361 0.160 Uiso 1 1 calc R U . . .
H4DB H 0.5114 0.7319 0.7972 0.160 Uiso 1 1 calc R U . . .
C5D C 0.568(3) 0.697(2) 0.8450(18) 0.108(19) Uiso 1 1 d . . . . .
H5DA H 0.5494 0.6865 0.8703 0.130 Uiso 1 1 calc R U . . .
H5DB H 0.5870 0.6692 0.8324 0.130 Uiso 1 1 calc R U . . .
C6D C 0.636(3) 0.723(2) 0.8501(18) 0.105(18) Uiso 1 1 d . . . . .
H6DA H 0.6504 0.7362 0.8246 0.126 Uiso 1 1 calc R U . . .
H6DB H 0.6165 0.7499 0.8640 0.126 Uiso 1 1 calc R U . . .
C7D C 0.703(3) 0.7092(19) 0.8659(17) 0.097(16) Uiso 1 1 d . . . . .
H7DA H 0.7197 0.6803 0.8546 0.116 Uiso 1 1 calc R U . . .
H7DB H 0.6905 0.7009 0.8926 0.116 Uiso 1 1 calc R U . . .
C8D C 0.781(3) 0.7405(18) 0.8654(16) 0.099(17) Uiso 1 1 d . . . . .
H8DA H 0.8082 0.7391 0.8411 0.148 Uiso 1 1 calc R U . . .
H8DB H 0.8169 0.7285 0.8856 0.148 Uiso 1 1 calc R U . . .
H8DC H 0.7644 0.7724 0.8694 0.148 Uiso 1 1 calc R U . . .
C11 C 0.4276(19) -0.0139(11) 0.9304(10) 0.044(8) Uiso 1 1 d . . . . .
H11 H 0.3843 -0.0265 0.9164 0.053 Uiso 1 1 calc R U . . .
C12 C 0.401(3) 0.0351(19) 0.9321(17) 0.104(18) Uiso 1 1 d . . . . .
H12A H 0.3859 0.0467 0.9064 0.125 Uiso 1 1 calc R U . . .
H12B H 0.4481 0.0515 0.9385 0.125 Uiso 1 1 calc R U . . .
C13 C 0.333(4) 0.051(2) 0.959(2) 0.13(2) Uiso 1 1 d . . . . .
H13A H 0.3376 0.0835 0.9635 0.150 Uiso 1 1 calc R U . . .
H13B H 0.2822 0.0479 0.9469 0.150 Uiso 1 1 calc R U . . .
C14 C 0.333(3) 0.0242(17) 0.9959(15) 0.088(14) Uiso 1 1 d . . . . .
H14A H 0.2841 0.0312 1.0099 0.105 Uiso 1 1 calc R U . . .
H14B H 0.3781 0.0321 1.0112 0.105 Uiso 1 1 calc R U . . .
C15 C 0.341(5) -0.027(3) 0.989(3) 0.19(4) Uiso 1 1 d . . . . .
H15A H 0.2988 -0.0337 0.9713 0.224 Uiso 1 1 calc R U . . .
H15B H 0.3335 -0.0454 1.0126 0.224 Uiso 1 1 calc R U . . .
C16 C 0.425(4) -0.042(2) 0.9706(18) 0.12(2) Uiso 1 1 d . . . . .
H16A H 0.4686 -0.0339 0.9866 0.140 Uiso 1 1 calc R U . . .
H16B H 0.4298 -0.0753 0.9677 0.140 Uiso 1 1 calc R U . . .
C21 C 0.5560(19) 0.1499(11) 0.9129(9) 0.041(7) Uiso 1 1 d . . . . .
H21 H 0.5015 0.1468 0.9038 0.049 Uiso 1 1 calc R U . . .
C22 C 0.5754(16) 0.2025(9) 0.9067(8) 0.032(6) Uiso 1 1 d . . . . .
H22A H 0.6301 0.2061 0.9144 0.038 Uiso 1 1 calc R U . . .
H22B H 0.5707 0.2125 0.8797 0.038 Uiso 1 1 calc R U . . .
C23 C 0.522(2) 0.2310(12) 0.9283(10) 0.050(8) Uiso 1 1 d . . . . .
H23A H 0.4682 0.2291 0.9192 0.060 Uiso 1 1 calc R U . . .
H23B H 0.5365 0.2632 0.9241 0.060 Uiso 1 1 calc R U . . .
C24 C 0.525(2) 0.2168(12) 0.9710(10) 0.048(8) Uiso 1 1 d . . . . .
H24A H 0.4861 0.2359 0.9847 0.058 Uiso 1 1 calc R U . . .
H24B H 0.5778 0.2204 0.9811 0.058 Uiso 1 1 calc R U . . .
C25 C 0.504(2) 0.1658(13) 0.9753(12) 0.062(10) Uiso 1 1 d . . . . .
H25A H 0.5066 0.1550 1.0023 0.075 Uiso 1 1 calc R U . . .
H25B H 0.4500 0.1633 0.9667 0.075 Uiso 1 1 calc R U . . .
C26 C 0.558(2) 0.1357(12) 0.9539(9) 0.046(8) Uiso 1 1 d . . . . .
H26A H 0.5424 0.1037 0.9580 0.055 Uiso 1 1 calc R U . . .
H26B H 0.6122 0.1369 0.9633 0.055 Uiso 1 1 calc R U . . .
C31 C 0.6483(19) 0.2051(11) 0.7468(10) 0.045(8) Uiso 1 1 d . . . . .
H31 H 0.6368 0.2164 0.7202 0.054 Uiso 1 1 calc R U . . .
C32 C 0.664(3) 0.2473(15) 0.7689(13) 0.074(12) Uiso 1 1 d . . . . .
H32A H 0.6166 0.2683 0.7689 0.089 Uiso 1 1 calc R U . . .
H32B H 0.6775 0.2373 0.7952 0.089 Uiso 1 1 calc R U . . .
C33 C 0.733(2) 0.2721(14) 0.7500(12) 0.066(11) Uiso 1 1 d . . . . .
H33A H 0.7169 0.2849 0.7246 0.079 Uiso 1 1 calc R U . . .
H33B H 0.7454 0.2979 0.7649 0.079 Uiso 1 1 calc R U . . .
C34 C 0.805(3) 0.2404(15) 0.7468(13) 0.073(12) Uiso 1 1 d . . . . .
H34X H 0.8264 0.2322 0.7722 0.088 Uiso 1 1 calc R U . . .
H34Y H 0.8453 0.2567 0.7319 0.088 Uiso 1 1 calc R U . . .
C35 C 0.789(2) 0.1970(12) 0.7285(10) 0.050(8) Uiso 1 1 d . . . . .
H35A H 0.7763 0.2046 0.7017 0.060 Uiso 1 1 calc R U . . .
H35B H 0.8374 0.1764 0.7296 0.060 Uiso 1 1 calc R U . . .
C36 C 0.7254(18) 0.1732(11) 0.7465(9) 0.042(7) Uiso 1 1 d . . . . .
H36A H 0.7400 0.1629 0.7727 0.051 Uiso 1 1 calc R U . . .
H36B H 0.7160 0.1458 0.7329 0.051 Uiso 1 1 calc R U . . .
C41 C 0.532(2) 0.0373(11) 0.5926(9) 0.053(9) Uiso 1 1 d D . . . .
H41 H 0.5778 0.0551 0.5990 0.064 Uiso 1 1 calc R U . . .
C42 C 0.520(3) 0.049(2) 0.5510(12) 0.105(18) Uiso 1 1 d D . . . .
H42A H 0.5054 0.0823 0.5460 0.126 Uiso 1 1 calc R U . . .
H42B H 0.4782 0.0314 0.5412 0.126 Uiso 1 1 calc R U . . .
C43 C 0.599(5) 0.037(4) 0.533(3) 0.23(5) Uiso 1 1 d D . . . .
H43A H 0.6381 0.0559 0.5431 0.273 Uiso 1 1 calc R U . . .
H43B H 0.5945 0.0453 0.5057 0.273 Uiso 1 1 calc R U . . .
C44 C 0.631(5) -0.014(3) 0.5378(17) 0.15(3) Uiso 1 1 d D . . . .
H44A H 0.5969 -0.0346 0.5255 0.185 Uiso 1 1 calc R U . . .
H44B H 0.6851 -0.0179 0.5273 0.185 Uiso 1 1 calc R U . . .
C45 C 0.631(3) -0.024(2) 0.5799(14) 0.112(19) Uiso 1 1 d D . . . .
H45A H 0.6753 -0.0085 0.5899 0.134 Uiso 1 1 calc R U . . .
H45B H 0.6437 -0.0575 0.5848 0.134 Uiso 1 1 calc R U . . .
C46 C 0.559(2) -0.0120(10) 0.6029(10) 0.053(9) Uiso 1 1 d D . . . .
H46A H 0.5716 -0.0161 0.6300 0.063 Uiso 1 1 calc R U . . .
H46B H 0.5168 -0.0324 0.5979 0.063 Uiso 1 1 calc R U . . .
C51 C 0.408(2) -0.1177(14) 0.6102(12) 0.065(11) Uiso 1 1 d . . . . .
H51 H 0.4631 -0.1165 0.6190 0.078 Uiso 1 1 calc R U . . .
C52 C 0.402(3) -0.1007(16) 0.5702(13) 0.072(12) Uiso 1 1 d . . . . .
H52A H 0.4156 -0.0684 0.5673 0.087 Uiso 1 1 calc R U . . .
H52B H 0.3468 -0.1021 0.5617 0.087 Uiso 1 1 calc R U . . .
C53 C 0.455(2) -0.1289(14) 0.5464(13) 0.069(11) Uiso 1 1 d . . . . .
H53A H 0.5102 -0.1279 0.5548 0.083 Uiso 1 1 calc R U . . .
H53B H 0.4521 -0.1168 0.5198 0.083 Uiso 1 1 calc R U . . .
C54 C 0.428(3) -0.1809(17) 0.5505(15) 0.090(15) Uiso 1 1 d . . . . .
H54A H 0.3731 -0.1818 0.5427 0.108 Uiso 1 1 calc R U . . .
H54B H 0.4616 -0.2003 0.5342 0.108 Uiso 1 1 calc R U . . .
C55 C 0.438(3) -0.1992(16) 0.5930(13) 0.078(13) Uiso 1 1 d . . . . .
H55A H 0.4246 -0.2316 0.5966 0.094 Uiso 1 1 calc R U . . .
H55B H 0.4923 -0.1966 0.6015 0.094 Uiso 1 1 calc R U . . .
C56 C 0.382(2) -0.1693(14) 0.6139(13) 0.067(11) Uiso 1 1 d . . . . .
H56A H 0.3805 -0.1805 0.6408 0.081 Uiso 1 1 calc R U . . .
H56B H 0.3282 -0.1705 0.6037 0.081 Uiso 1 1 calc R U . . .
C61 C 0.3268(19) -0.1773(11) 0.7734(10) 0.044(8) Uiso 1 1 d . . . . .
H61 H 0.3372 -0.1918 0.7992 0.052 Uiso 1 1 calc R U . . .
C62 C 0.310(2) -0.2143(14) 0.7493(12) 0.064(10) Uiso 1 1 d . . . . .
H62A H 0.3547 -0.2371 0.7499 0.077 Uiso 1 1 calc R U . . .
H62B H 0.3030 -0.2013 0.7231 0.077 Uiso 1 1 calc R U . . .
C63 C 0.234(3) -0.2389(16) 0.7620(14) 0.079(13) Uiso 1 1 d . . . . .
H63A H 0.2241 -0.2629 0.7448 0.095 Uiso 1 1 calc R U . . .
H63B H 0.2412 -0.2538 0.7876 0.095 Uiso 1 1 calc R U . . .
C64 C 0.165(3) -0.2055(16) 0.7620(14) 0.080(13) Uiso 1 1 d . . . . .
H64A H 0.1184 -0.2209 0.7716 0.096 Uiso 1 1 calc R U . . .
H64B H 0.1547 -0.1927 0.7360 0.096 Uiso 1 1 calc R U . . .
C65 C 0.183(3) -0.1660(17) 0.7874(15) 0.083(14) Uiso 1 1 d . . . . .
H65A H 0.1386 -0.1427 0.7859 0.100 Uiso 1 1 calc R U . . .
H65B H 0.1872 -0.1786 0.8139 0.100 Uiso 1 1 calc R U . . .
C66 C 0.257(2) -0.1437(13) 0.7763(12) 0.059(10) Uiso 1 1 d . . . . .
H66A H 0.2684 -0.1217 0.7950 0.071 Uiso 1 1 calc R U . . .
H66B H 0.2492 -0.1262 0.7517 0.071 Uiso 1 1 calc R U . . .
C71 C 0.3874(16) 0.1861(9) 0.8378(8) 0.029(6) Uiso 1 1 d . . . . .
H71 H 0.4417 0.1953 0.8425 0.035 Uiso 1 1 calc R U . . .
C72 C 0.3716(16) 0.1930(9) 0.7966(7) 0.027(6) Uiso 1 1 d . . . . .
H72A H 0.3188 0.1829 0.7912 0.033 Uiso 1 1 calc R U . . .
H72B H 0.4108 0.1744 0.7826 0.033 Uiso 1 1 calc R U . . .
C73 C 0.3762(18) 0.2432(10) 0.7837(9) 0.038(7) Uiso 1 1 d . . . . .
H73A H 0.3630 0.2476 0.7567 0.046 Uiso 1 1 calc R U . . .
H73B H 0.4308 0.2521 0.7866 0.046 Uiso 1 1 calc R U . . .
C74 C 0.3212(16) 0.2744(9) 0.8057(8) 0.029(6) Uiso 1 1 d . . . . .
H74A H 0.3274 0.3067 0.7968 0.035 Uiso 1 1 calc R U . . .
H74B H 0.2661 0.2673 0.8016 0.035 Uiso 1 1 calc R U . . .
C75 C 0.340(2) 0.2676(12) 0.8467(10) 0.050(8) Uiso 1 1 d . . . . .
H75A H 0.3058 0.2890 0.8608 0.060 Uiso 1 1 calc R U . . .
H75B H 0.3951 0.2744 0.8507 0.060 Uiso 1 1 calc R U . . .
C76 C 0.3265(19) 0.2159(11) 0.8626(9) 0.042(7) Uiso 1 1 d . . . . .
H76A H 0.2718 0.2079 0.8588 0.050 Uiso 1 1 calc R U . . .
H76B H 0.3390 0.2113 0.8897 0.050 Uiso 1 1 calc R U . . .
C81 C 0.1322(15) 0.1509(9) 0.7687(7) 0.026(6) Uiso 1 1 d . . . . .
H81 H 0.1761 0.1603 0.7516 0.032 Uiso 1 1 calc R U . . .
C82 C 0.0548(15) 0.1507(9) 0.7451(8) 0.028(6) Uiso 1 1 d . . . . .
H82A H 0.0623 0.1293 0.7249 0.033 Uiso 1 1 calc R U . . .
H82B H 0.0109 0.1407 0.7615 0.033 Uiso 1 1 calc R U . . .
C83 C 0.036(2) 0.1999(12) 0.7280(11) 0.053(9) Uiso 1 1 d . . . . .
H83A H 0.0800 0.2090 0.7111 0.064 Uiso 1 1 calc R U . . .
H83B H -0.0120 0.2008 0.7129 0.064 Uiso 1 1 calc R U . . .
C84 C 0.026(2) 0.2331(12) 0.7580(10) 0.050(8) Uiso 1 1 d . . . . .
H84A H -0.0203 0.2253 0.7739 0.060 Uiso 1 1 calc R U . . .
H84B H 0.0153 0.2644 0.7462 0.060 Uiso 1 1 calc R U . . .
C85 C 0.101(2) 0.2317(13) 0.7832(12) 0.061(10) Uiso 1 1 d . . . . .
H85A H 0.1455 0.2435 0.7681 0.073 Uiso 1 1 calc R U . . .
H85B H 0.0912 0.2515 0.8043 0.073 Uiso 1 1 calc R U . . .
C86 C 0.1220(18) 0.1837(10) 0.7983(8) 0.035(7) Uiso 1 1 d . . . . .
H86A H 0.1713 0.1832 0.8127 0.042 Uiso 1 1 calc R U . . .
H86B H 0.0801 0.1735 0.8159 0.042 Uiso 1 1 calc R U . . .
C91 C 0.1768(18) -0.0340(11) 0.6814(8) 0.036(7) Uiso 1 1 d . . . . .
H91 H 0.2135 -0.0619 0.6813 0.043 Uiso 1 1 calc R U . . .
C92 C 0.133(3) -0.0315(18) 0.6449(15) 0.091(15) Uiso 1 1 d . . . . .
H92A H 0.1716 -0.0307 0.6238 0.109 Uiso 1 1 calc R U . . .
H92B H 0.0992 -0.0030 0.6425 0.109 Uiso 1 1 calc R U . . .
C93 C 0.080(3) -0.0755(19) 0.6428(17) 0.100(17) Uiso 1 1 d . . . . .
H93A H 0.0516 -0.0735 0.6188 0.120 Uiso 1 1 calc R U . . .
H93B H 0.1145 -0.1042 0.6444 0.120 Uiso 1 1 calc R U . . .
C94 C 0.025(2) -0.0754(14) 0.6747(11) 0.062(10) Uiso 1 1 d . . . . .
H94A H -0.0060 -0.0457 0.6738 0.074 Uiso 1 1 calc R U . . .
H94B H -0.0119 -0.0999 0.6726 0.074 Uiso 1 1 calc R U . . .
C95 C 0.065(3) -0.0824(19) 0.7093(16) 0.094(16) Uiso 1 1 d . . . . .
H95A H 0.0942 -0.1126 0.7109 0.113 Uiso 1 1 calc R U . . .
H95B H 0.0265 -0.0818 0.7304 0.113 Uiso 1 1 calc R U . . .
C96 C 0.125(3) -0.042(2) 0.7121(17) 0.101(17) Uiso 1 1 d . . . . .
H96A H 0.0941 -0.0128 0.7156 0.121 Uiso 1 1 calc R U . . .
H96B H 0.1576 -0.0489 0.7349 0.121 Uiso 1 1 calc R U . . .
C100 C 0.1610(14) -0.0132(8) 0.8542(7) 0.019(5) Uiso 1 1 d . . . . .
H100 H 0.1265 0.0154 0.8559 0.022 Uiso 1 1 calc R U . . .
C101 C 0.1433(17) -0.0347(10) 0.8172(8) 0.036(7) Uiso 1 1 d . . . . .
H10A H 0.1763 -0.0633 0.8148 0.043 Uiso 1 1 calc R U . . .
H10B H 0.1534 -0.0132 0.7952 0.043 Uiso 1 1 calc R U . . .
C103 C 0.053(2) -0.0450(13) 0.8197(11) 0.055(9) Uiso 1 1 d . . . . .
H10C H 0.0209 -0.0162 0.8229 0.066 Uiso 1 1 calc R U . . .
H10D H 0.0367 -0.0573 0.7961 0.066 Uiso 1 1 calc R U . . .
C104 C 0.038(2) -0.0768(13) 0.8501(11) 0.058(10) Uiso 1 1 d . . . . .
H10E H 0.0709 -0.1053 0.8467 0.070 Uiso 1 1 calc R U . . .
H10F H -0.0175 -0.0844 0.8494 0.070 Uiso 1 1 calc R U . . .
C105 C 0.0554(18) -0.0601(11) 0.8897(9) 0.043(8) Uiso 1 1 d . . . . .
H10G H 0.0202 -0.0332 0.8949 0.052 Uiso 1 1 calc R U . . .
H10H H 0.0474 -0.0848 0.9096 0.052 Uiso 1 1 calc R U . . .
C106 C 0.1425(15) -0.0474(9) 0.8884(7) 0.026(6) Uiso 1 1 d . . . . .
H10I H 0.1769 -0.0756 0.8869 0.032 Uiso 1 1 calc R U . . .
H10J H 0.1548 -0.0335 0.9119 0.032 Uiso 1 1 calc R U . . .
C111 C 0.4088(16) -0.1559(9) 0.9108(8) 0.028(6) Uiso 1 1 d . . . . .
H111 H 0.4511 -0.1360 0.9178 0.033 Uiso 1 1 calc R U . . .
C112 C 0.333(2) -0.1469(13) 0.9360(11) 0.054(9) Uiso 1 1 d . . . . .
H11A H 0.3483 -0.1493 0.9628 0.065 Uiso 1 1 calc R U . . .
H11B H 0.3106 -0.1154 0.9298 0.065 Uiso 1 1 calc R U . . .
C113 C 0.2718(19) -0.1806(11) 0.9300(10) 0.044(8) Uiso 1 1 d . . . . .
H11C H 0.2281 -0.1761 0.9481 0.053 Uiso 1 1 calc R U . . .
H11D H 0.2503 -0.1747 0.9043 0.053 Uiso 1 1 calc R U . . .
C114 C 0.305(2) -0.2292(14) 0.9349(12) 0.065(11) Uiso 1 1 d . . . . .
H11E H 0.2637 -0.2499 0.9288 0.078 Uiso 1 1 calc R U . . .
H11F H 0.3193 -0.2364 0.9615 0.078 Uiso 1 1 calc R U . . .
C115 C 0.377(2) -0.2383(13) 0.9100(11) 0.053(9) Uiso 1 1 d . . . . .
H11G H 0.3977 -0.2704 0.9148 0.064 Uiso 1 1 calc R U . . .
H11H H 0.3621 -0.2336 0.8832 0.064 Uiso 1 1 calc R U . . .
C116 C 0.4370(18) -0.2075(10) 0.9179(9) 0.040(7) Uiso 1 1 d . . . . .
H11I H 0.4836 -0.2139 0.9019 0.047 Uiso 1 1 calc R U . . .
H11J H 0.4531 -0.2134 0.9445 0.047 Uiso 1 1 calc R U . . .
C121 C 0.6774(16) -0.1136(10) 0.8702(8) 0.032(6) Uiso 1 1 d . . . . .
H121 H 0.6587 -0.0809 0.8723 0.039 Uiso 1 1 calc R U . . .
C122 C 0.7656(16) -0.1161(10) 0.8730(8) 0.033(6) Uiso 1 1 d . . . . .
H12C H 0.7884 -0.0962 0.8526 0.040 Uiso 1 1 calc R U . . .
H12D H 0.7870 -0.1479 0.8708 0.040 Uiso 1 1 calc R U . . .
C123 C 0.787(2) -0.0990(12) 0.9131(10) 0.048(8) Uiso 1 1 d . . . . .
H12E H 0.8445 -0.1000 0.9159 0.057 Uiso 1 1 calc R U . . .
H12F H 0.7660 -0.0670 0.9148 0.057 Uiso 1 1 calc R U . . .
C124 C 0.751(2) -0.1294(14) 0.9440(11) 0.059(10) Uiso 1 1 d . . . . .
H12G H 0.7654 -0.1192 0.9688 0.070 Uiso 1 1 calc R U . . .
H12H H 0.7727 -0.1614 0.9425 0.070 Uiso 1 1 calc R U . . .
C125 C 0.6616(17) -0.1274(11) 0.9402(8) 0.036(7) Uiso 1 1 d . . . . .
H12I H 0.6388 -0.1485 0.9597 0.043 Uiso 1 1 calc R U . . .
H12J H 0.6396 -0.0960 0.9438 0.043 Uiso 1 1 calc R U . . .
C126 C 0.6408(16) -0.1410(9) 0.9014(7) 0.028(6) Uiso 1 1 d . . . . .
H12K H 0.6575 -0.1737 0.8994 0.034 Uiso 1 1 calc R U . . .
H12L H 0.5831 -0.1378 0.8985 0.034 Uiso 1 1 calc R U . . .
C131 C 0.7967(18) 0.0501(11) 0.8487(9) 0.038(7) Uiso 1 1 d . . . . .
H131 H 0.7756 0.0726 0.8666 0.046 Uiso 1 1 calc R U . . .
C132 C 0.8701(17) 0.0284(11) 0.8633(9) 0.039(7) Uiso 1 1 d . . . . .
H13C H 0.8906 0.0052 0.8464 0.047 Uiso 1 1 calc R U . . .
H13D H 0.8608 0.0128 0.8884 0.047 Uiso 1 1 calc R U . . .
C133 C 0.9312(18) 0.0653(11) 0.8665(9) 0.040(7) Uiso 1 1 d . . . . .
H13E H 0.9119 0.0869 0.8852 0.048 Uiso 1 1 calc R U . . .
H13F H 0.9813 0.0502 0.8759 0.048 Uiso 1 1 calc R U . . .
C134 C 0.946(2) 0.0919(13) 0.8298(11) 0.054(9) Uiso 1 1 d . . . . .
H13G H 0.9795 0.1175 0.8339 0.065 Uiso 1 1 calc R U . . .
H13H H 0.9742 0.0717 0.8122 0.065 Uiso 1 1 calc R U . . .
C135 C 0.872(2) 0.1094(12) 0.8139(11) 0.052(9) Uiso 1 1 d . . . . .
H13I H 0.8828 0.1240 0.7886 0.063 Uiso 1 1 calc R U . . .
H13J H 0.8504 0.1337 0.8296 0.063 Uiso 1 1 calc R U . . .
C136 C 0.8094(17) 0.0753(10) 0.8101(8) 0.033(6) Uiso 1 1 d . . . . .
H13K H 0.8264 0.0531 0.7915 0.039 Uiso 1 1 calc R U . . .
H13L H 0.7598 0.0916 0.8012 0.039 Uiso 1 1 calc R U . . .
C141 C 0.8319(17) -0.1344(10) 0.7598(8) 0.034(7) Uiso 1 1 d . . . . .
H141 H 0.7854 -0.1446 0.7748 0.041 Uiso 1 1 calc R U . . .
C142 C 0.8487(19) -0.1626(11) 0.7288(9) 0.042(7) Uiso 1 1 d . . . . .
H14C H 0.8949 -0.1517 0.7147 0.051 Uiso 1 1 calc R U . . .
H14D H 0.8034 -0.1602 0.7116 0.051 Uiso 1 1 calc R U . . .
C143 C 0.8649(18) -0.2121(11) 0.7429(9) 0.041(7) Uiso 1 1 d . . . . .
H14E H 0.8165 -0.2240 0.7545 0.049 Uiso 1 1 calc R U . . .
H14F H 0.8795 -0.2305 0.7214 0.049 Uiso 1 1 calc R U . . .
C144 C 0.930(2) -0.2173(13) 0.7713(11) 0.059(10) Uiso 1 1 d . . . . .
H14G H 0.9806 -0.2124 0.7581 0.071 Uiso 1 1 calc R U . . .
H14H H 0.9327 -0.2491 0.7829 0.071 Uiso 1 1 calc R U . . .
C145 C 0.9202(19) -0.1844(11) 0.8022(9) 0.043(8) Uiso 1 1 d . . . . .
H14I H 0.9680 -0.1864 0.8178 0.051 Uiso 1 1 calc R U . . .
H14J H 0.8751 -0.1925 0.8185 0.051 Uiso 1 1 calc R U . . .
C146 C 0.9061(18) -0.1354(11) 0.7842(9) 0.039(7) Uiso 1 1 d . . . . .
H14K H 0.9519 -0.1268 0.7685 0.047 Uiso 1 1 calc R U . . .
H14L H 0.8985 -0.1135 0.8040 0.047 Uiso 1 1 calc R U . . .
C151 C 0.588(2) -0.1664(12) 0.6926(10) 0.051(9) Uiso 1 1 d . . . . .
H151 H 0.5313 -0.1735 0.6924 0.061 Uiso 1 1 calc R U . . .
C152 C 0.630(4) -0.195(2) 0.6634(18) 0.11(2) Uiso 1 1 d . . . . .
H15C H 0.6060 -0.1889 0.6383 0.136 Uiso 1 1 calc R U . . .
H15D H 0.6867 -0.1886 0.6614 0.136 Uiso 1 1 calc R U . . .
C153 C 0.620(4) -0.244(2) 0.6788(19) 0.12(2) Uiso 1 1 d . . . . .
H15E H 0.6504 -0.2649 0.6630 0.150 Uiso 1 1 calc R U . . .
H15F H 0.5638 -0.2502 0.6771 0.150 Uiso 1 1 calc R U . . .
C154 C 0.646(3) -0.2536(17) 0.7202(14) 0.080(13) Uiso 1 1 d . . . . .
H15G H 0.6331 -0.2847 0.7299 0.096 Uiso 1 1 calc R U . . .
H15H H 0.7035 -0.2507 0.7225 0.096 Uiso 1 1 calc R U . . .
C155 C 0.602(4) -0.219(2) 0.740(2) 0.14(3) Uiso 1 1 d . . . . .
H15I H 0.6176 -0.2233 0.7668 0.168 Uiso 1 1 calc R U . . .
H15J H 0.5461 -0.2250 0.7387 0.168 Uiso 1 1 calc R U . . .
C156 C 0.610(3) -0.1711(15) 0.7280(12) 0.069(11) Uiso 1 1 d . . . . .
H15K H 0.5767 -0.1511 0.7435 0.082 Uiso 1 1 calc R U . . .
H15L H 0.6656 -0.1630 0.7301 0.082 Uiso 1 1 calc R U . . .
C161 C 0.2871(17) 0.1383(10) 0.6618(8) 0.035(7) Uiso 1 1 d . . . . .
H161 H 0.3017 0.1051 0.6592 0.042 Uiso 1 1 calc R U . . .
C162 C 0.2004(19) 0.1444(12) 0.6662(10) 0.047(8) Uiso 1 1 d . . . . .
H16C H 0.1851 0.1766 0.6709 0.057 Uiso 1 1 calc R U . . .
H16D H 0.1826 0.1246 0.6879 0.057 Uiso 1 1 calc R U . . .
C163 C 0.161(2) 0.1315(12) 0.6296(10) 0.048(8) Uiso 1 1 d . . . . .
H16E H 0.1032 0.1354 0.6321 0.058 Uiso 1 1 calc R U . . .
H16F H 0.1751 0.0990 0.6254 0.058 Uiso 1 1 calc R U . . .
C164 C 0.190(3) 0.1628(17) 0.5955(14) 0.081(13) Uiso 1 1 d . . . . .
H16G H 0.1770 0.1954 0.5999 0.098 Uiso 1 1 calc R U . . .
H16H H 0.1630 0.1558 0.5723 0.098 Uiso 1 1 calc R U . . .
C165 C 0.281(2) 0.1536(13) 0.5913(10) 0.051(9) Uiso 1 1 d . . . . .
H16I H 0.2944 0.1213 0.5862 0.061 Uiso 1 1 calc R U . . .
H16J H 0.3021 0.1736 0.5704 0.061 Uiso 1 1 calc R U . . .
C166 C 0.3164(17) 0.1646(10) 0.6291(8) 0.034(6) Uiso 1 1 d . . . . .
H16K H 0.3741 0.1591 0.6278 0.040 Uiso 1 1 calc R U . . .
H16L H 0.3051 0.1976 0.6326 0.040 Uiso 1 1 calc R U . . .
C171 C 0.567(2) 0.1757(13) 0.6120(11) 0.055(9) Uiso 1 1 d . . . . .
H171 H 0.5292 0.1533 0.6039 0.066 Uiso 1 1 calc R U . . .
C172 C 0.535(3) 0.2252(15) 0.6047(12) 0.068(11) Uiso 1 1 d . . . . .
H17A H 0.5724 0.2457 0.6150 0.082 Uiso 1 1 calc R U . . .
H17B H 0.4843 0.2297 0.6179 0.082 Uiso 1 1 calc R U . . .
C173 C 0.524(4) 0.238(2) 0.563(2) 0.13(2) Uiso 1 1 d . . . . .
H17C H 0.4890 0.2171 0.5515 0.151 Uiso 1 1 calc R U . . .
H17D H 0.5012 0.2698 0.5584 0.151 Uiso 1 1 calc R U . . .
C174 C 0.604(6) 0.234(3) 0.546(3) 0.20(4) Uiso 1 1 d . . . . .
H17E H 0.6022 0.2445 0.5189 0.239 Uiso 1 1 calc R U . . .
H17F H 0.6397 0.2529 0.5587 0.239 Uiso 1 1 calc R U . . .
C175 C 0.633(4) 0.186(3) 0.550(2) 0.14(3) Uiso 1 1 d . . . . .
H17G H 0.6801 0.1813 0.5342 0.170 Uiso 1 1 calc R U . . .
H17H H 0.5919 0.1665 0.5411 0.170 Uiso 1 1 calc R U . . .
C176 C 0.651(3) 0.1718(19) 0.5899(15) 0.091(15) Uiso 1 1 d . . . . .
H17I H 0.6886 0.1925 0.6000 0.110 Uiso 1 1 calc R U . . .
H17J H 0.6749 0.1401 0.5925 0.110 Uiso 1 1 calc R U . . .
C181 C 0.8149(15) 0.0314(9) 0.6733(7) 0.027(6) Uiso 1 1 d . . . . .
H181 H 0.8454 0.0012 0.6735 0.033 Uiso 1 1 calc R U . . .
C182 C 0.8401(16) 0.0606(10) 0.6396(8) 0.031(6) Uiso 1 1 d . . . . .
H18A H 0.8108 0.0909 0.6387 0.038 Uiso 1 1 calc R U . . .
H18B H 0.8294 0.0458 0.6163 0.038 Uiso 1 1 calc R U . . .
C183 C 0.928(3) 0.0664(18) 0.6431(14) 0.084(14) Uiso 1 1 d . . . . .
H18C H 0.9558 0.0364 0.6399 0.101 Uiso 1 1 calc R U . . .
H18D H 0.9438 0.0879 0.6222 0.101 Uiso 1 1 calc R U . . .
C184 C 0.954(3) 0.0836(16) 0.6792(13) 0.078(13) Uiso 1 1 d . . . . .
H18E H 1.0117 0.0811 0.6801 0.094 Uiso 1 1 calc R U . . .
H18F H 0.9365 0.1164 0.6798 0.094 Uiso 1 1 calc R U . . .
C185 C 0.9223(18) 0.0585(11) 0.7127(9) 0.042(7) Uiso 1 1 d . . . . .
H18G H 0.9335 0.0749 0.7352 0.050 Uiso 1 1 calc R U . . .
H18H H 0.9496 0.0277 0.7157 0.050 Uiso 1 1 calc R U . . .
C186 C 0.8317(16) 0.0532(10) 0.7104(8) 0.035(7) Uiso 1 1 d . . . . .
H18I H 0.8139 0.0335 0.7322 0.042 Uiso 1 1 calc R U . . .
H18J H 0.8030 0.0836 0.7109 0.042 Uiso 1 1 calc R U . . .
C191 C -0.223(2) 0.3864(15) 0.9018(13) 0.068(11) Uiso 1 1 d . . . . .
H191 H -0.2600 0.4039 0.9183 0.081 Uiso 1 1 calc R U . . .
C192 C -0.223(3) 0.3388(18) 0.9109(17) 0.097(16) Uiso 1 1 d . . . . .
H19A H -0.2009 0.3315 0.9363 0.116 Uiso 1 1 calc R U . . .
H19B H -0.1893 0.3225 0.8928 0.116 Uiso 1 1 calc R U . . .
C193 C -0.309(3) 0.3221(17) 0.9098(13) 0.077(12) Uiso 1 1 d . . . . .
H19C H -0.3108 0.2899 0.9200 0.092 Uiso 1 1 calc R U . . .
H19D H -0.3458 0.3415 0.9244 0.092 Uiso 1 1 calc R U . . .
C194 C -0.330(3) 0.3270(16) 0.8675(13) 0.076(12) Uiso 1 1 d . . . . .
H19E H -0.2932 0.3064 0.8538 0.091 Uiso 1 1 calc R U . . .
H19F H -0.3836 0.3172 0.8643 0.091 Uiso 1 1 calc R U . . .
C195 C -0.325(3) 0.3758(17) 0.8504(16) 0.091(15) Uiso 1 1 d . . . . .
H19G H -0.3686 0.3954 0.8601 0.109 Uiso 1 1 calc R U . . .
H19H H -0.3297 0.3762 0.8228 0.109 Uiso 1 1 calc R U . . .
C196 C -0.243(2) 0.3956(15) 0.8606(12) 0.065(11) Uiso 1 1 d . . . . .
H19I H -0.2011 0.3816 0.8451 0.078 Uiso 1 1 calc R U . . .
H19J H -0.2463 0.4291 0.8541 0.078 Uiso 1 1 calc R U . . .
C201 C -0.134(2) 0.5556(13) 0.8105(11) 0.055(9) Uiso 1 1 d . . . . .
H201 H -0.0777 0.5439 0.8136 0.066 Uiso 1 1 calc R U . . .
C202 C -0.174(2) 0.5288(15) 0.7824(13) 0.069(11) Uiso 1 1 d . . . . .
H20A H -0.1737 0.4964 0.7925 0.083 Uiso 1 1 calc R U . . .
H20B H -0.1425 0.5295 0.7590 0.083 Uiso 1 1 calc R U . . .
C203 C -0.261(4) 0.544(3) 0.771(2) 0.14(3) Uiso 1 1 d . . . . .
H20C H -0.2800 0.5242 0.7526 0.170 Uiso 1 1 calc R U . . .
H20D H -0.2955 0.5418 0.7938 0.170 Uiso 1 1 calc R U . . .
C204 C -0.262(5) 0.586(3) 0.757(2) 0.16(3) Uiso 1 1 d . . . . .
H20E H -0.3169 0.5966 0.7524 0.191 Uiso 1 1 calc R U . . .
H20F H -0.2340 0.5862 0.7328 0.191 Uiso 1 1 calc R U . . .
C205 C -0.222(3) 0.625(2) 0.7822(17) 0.104(18) Uiso 1 1 d . . . . .
H20G H -0.2216 0.6545 0.7670 0.125 Uiso 1 1 calc R U . . .
H20H H -0.2546 0.6299 0.8050 0.125 Uiso 1 1 calc R U . . .
C206 C -0.138(3) 0.6087(16) 0.7937(15) 0.081(13) Uiso 1 1 d . . . . .
H20I H -0.1198 0.6283 0.8129 0.097 Uiso 1 1 calc R U . . .
H20J H -0.1030 0.6120 0.7715 0.097 Uiso 1 1 calc R U . . .
C211 C 0.0336(17) 0.6626(10) 0.8916(8) 0.034(7) Uiso 1 1 d . . . . .
H211 H 0.0756 0.6740 0.9072 0.041 Uiso 1 1 calc R U . . .
C212 C 0.070(2) 0.6220(12) 0.8721(10) 0.050(8) Uiso 1 1 d . . . . .
H21A H 0.0299 0.6105 0.8557 0.060 Uiso 1 1 calc R U . . .
H21B H 0.0853 0.5971 0.8912 0.060 Uiso 1 1 calc R U . . .
C213 C 0.146(2) 0.6354(14) 0.8469(12) 0.062(10) Uiso 1 1 d . . . . .
H21C H 0.1876 0.6455 0.8630 0.074 Uiso 1 1 calc R U . . .
H21D H 0.1672 0.6089 0.8336 0.074 Uiso 1 1 calc R U . . .
C214 C 0.116(3) 0.6751(16) 0.8184(14) 0.082(14) Uiso 1 1 d . . . . .
H21E H 0.1608 0.6857 0.8027 0.099 Uiso 1 1 calc R U . . .
H21F H 0.0771 0.6638 0.8016 0.099 Uiso 1 1 calc R U . . .
C215 C 0.079(2) 0.7147(12) 0.8383(10) 0.051(9) Uiso 1 1 d . . . . .
H21G H 0.1183 0.7254 0.8555 0.061 Uiso 1 1 calc R U . . .
H21H H 0.0656 0.7403 0.8194 0.061 Uiso 1 1 calc R U . . .
C216 C 0.009(2) 0.7035(12) 0.8597(10) 0.048(8) Uiso 1 1 d . . . . .
H21I H -0.0313 0.6933 0.8429 0.057 Uiso 1 1 calc R U . . .
H21J H -0.0134 0.7308 0.8719 0.057 Uiso 1 1 calc R U . . .
C221 C 0.0569(19) 0.4364(12) 0.8476(10) 0.047(8) Uiso 1 1 d . . . . .
H221 H 0.0455 0.4191 0.8721 0.056 Uiso 1 1 calc R U . . .
C222 C 0.1339(16) 0.4171(9) 0.8330(8) 0.029(6) Uiso 1 1 d . . . . .
H22C H 0.1754 0.4186 0.8520 0.035 Uiso 1 1 calc R U . . .
H22D H 0.1493 0.4351 0.8098 0.035 Uiso 1 1 calc R U . . .
C223 C 0.1238(19) 0.3659(11) 0.8245(9) 0.044(8) Uiso 1 1 d . . . . .
H22E H 0.1721 0.3535 0.8122 0.053 Uiso 1 1 calc R U . . .
H22F H 0.1161 0.3473 0.8484 0.053 Uiso 1 1 calc R U . . .
C224 C 0.056(2) 0.3625(14) 0.7997(11) 0.058(10) Uiso 1 1 d . . . . .
H22G H 0.0674 0.3778 0.7748 0.070 Uiso 1 1 calc R U . . .
H22H H 0.0494 0.3298 0.7961 0.070 Uiso 1 1 calc R U . . .
C225 C -0.0188(18) 0.3824(11) 0.8131(9) 0.043(7) Uiso 1 1 d . . . . .
H22I H -0.0349 0.3647 0.8363 0.051 Uiso 1 1 calc R U . . .
H22J H -0.0596 0.3801 0.7939 0.051 Uiso 1 1 calc R U . . .
C226 C -0.0139(17) 0.4328(10) 0.8214(8) 0.035(7) Uiso 1 1 d . . . . .
H22K H -0.0630 0.4439 0.8337 0.042 Uiso 1 1 calc R U . . .
H22L H -0.0067 0.4518 0.7977 0.042 Uiso 1 1 calc R U . . .
C231 C 0.3383(17) 0.4252(10) 0.8985(8) 0.035(7) Uiso 1 1 d . . . . .
H231 H 0.2958 0.4031 0.9014 0.042 Uiso 1 1 calc R U . . .
C232 C 0.4129(17) 0.4046(10) 0.9198(8) 0.034(6) Uiso 1 1 d . . . . .
H23C H 0.3997 0.3959 0.9464 0.041 Uiso 1 1 calc R U . . .
H23D H 0.4536 0.4274 0.9193 0.041 Uiso 1 1 calc R U . . .
C233 C 0.4439(17) 0.3615(10) 0.8996(8) 0.035(7) Uiso 1 1 d . . . . .
H23E H 0.4959 0.3506 0.9099 0.042 Uiso 1 1 calc R U . . .
H23F H 0.4075 0.3368 0.9048 0.042 Uiso 1 1 calc R U . . .
C234 C 0.4515(18) 0.3717(11) 0.8570(9) 0.041(7) Uiso 1 1 d . . . . .
H23G H 0.4944 0.3925 0.8517 0.049 Uiso 1 1 calc R U . . .
H23H H 0.4659 0.3428 0.8452 0.049 Uiso 1 1 calc R U . . .
C235 C 0.3763(17) 0.3934(10) 0.8391(9) 0.038(7) Uiso 1 1 d . . . . .
H23I H 0.3343 0.3715 0.8411 0.046 Uiso 1 1 calc R U . . .
H23J H 0.3855 0.4022 0.8121 0.046 Uiso 1 1 calc R U . . .
C236 C 0.3521(16) 0.4360(9) 0.8602(8) 0.029(6) Uiso 1 1 d . . . . .
H23K H 0.3943 0.4579 0.8575 0.034 Uiso 1 1 calc R U . . .
H23L H 0.3039 0.4513 0.8488 0.034 Uiso 1 1 calc R U . . .
C241 C 0.333(2) 0.4491(15) 1.0762(12) 0.066(11) Uiso 1 1 d . . . . .
C242 C 0.412(3) 0.4114(18) 1.0729(17) 0.035(13) Uiso 0.5 1 d D . P A 1
C243 C 0.466(4) 0.4289(19) 1.1010(18) 0.039(14) Uiso 0.5 1 d D . P A 1
C42B C 0.374(4) 0.418(2) 1.1048(19) 0.045(16) Uiso 0.5 1 d . . P A 2
C43B C 0.434(3) 0.438(2) 1.1272(17) 0.036(13) Uiso 0.5 1 d . . P A 2
C244 C 0.482(3) 0.4709(16) 1.1002(13) 0.071(12) Uiso 1 1 d . . . . .
C245 C 0.397(4) 0.507(2) 1.104(2) 0.047(16) Uiso 0.5 1 d D . P A 1
C246 C 0.339(3) 0.4882(17) 1.0737(15) 0.027(12) Uiso 0.5 1 d D . P A 1
C45B C 0.468(5) 0.490(3) 1.073(2) 0.06(2) Uiso 0.5 1 d . . P A 2
C46B C 0.399(4) 0.472(3) 1.047(2) 0.051(17) Uiso 0.5 1 d . . P A 2
C251 C 0.2216(16) 0.3392(9) 0.9653(7) 0.027(6) Uiso 1 1 d . . . . .
H251 H 0.2662 0.3594 0.9677 0.032 Uiso 1 1 calc R U . . .
C252 C 0.2540(19) 0.2961(11) 0.9461(10) 0.044(8) Uiso 1 1 d . . . . .
H25C H 0.2106 0.2758 0.9431 0.053 Uiso 1 1 calc R U . . .
H25D H 0.2740 0.3056 0.9207 0.053 Uiso 1 1 calc R U . . .
C253 C 0.319(3) 0.2697(17) 0.9683(14) 0.079(13) Uiso 1 1 d . . . . .
H25E H 0.3361 0.2415 0.9560 0.095 Uiso 1 1 calc R U . . .
H25F H 0.3652 0.2887 0.9697 0.095 Uiso 1 1 calc R U . . .
C254 C 0.2883(19) 0.2578(11) 1.0069(9) 0.042(7) Uiso 1 1 d . . . . .
H25G H 0.3309 0.2415 1.0221 0.051 Uiso 1 1 calc R U . . .
H25H H 0.2458 0.2366 1.0051 0.051 Uiso 1 1 calc R U . . .
C255 C 0.256(2) 0.3001(12) 1.0279(11) 0.053(9) Uiso 1 1 d . . . . .
H25I H 0.2339 0.2896 1.0527 0.064 Uiso 1 1 calc R U . . .
H25J H 0.2986 0.3203 1.0321 0.064 Uiso 1 1 calc R U . . .
C256 C 0.192(2) 0.3261(12) 1.0044(10) 0.051(9) Uiso 1 1 d . . . . .
H25K H 0.1464 0.3069 1.0028 0.061 Uiso 1 1 calc R U . . .
H25L H 0.1738 0.3542 1.0167 0.061 Uiso 1 1 calc R U . . .
C261 C 0.3192(16) 0.5974(10) 0.9615(8) 0.030(6) Uiso 1 1 d . . . . .
H261 H 0.3551 0.5741 0.9499 0.036 Uiso 1 1 calc R U . . .
C262 C 0.324(2) 0.5889(15) 1.0021(12) 0.068(11) Uiso 1 1 d . . . . .
H26C H 0.3079 0.5577 1.0095 0.081 Uiso 1 1 calc R U . . .
H26D H 0.2885 0.6111 1.0144 0.081 Uiso 1 1 calc R U . . .
C263 C 0.407(2) 0.5934(14) 1.0150(12) 0.066(11) Uiso 1 1 d . . . . .
H26E H 0.4423 0.5694 1.0044 0.079 Uiso 1 1 calc R U . . .
H26F H 0.4092 0.5886 1.0427 0.079 Uiso 1 1 calc R U . . .
C264 C 0.437(2) 0.6410(13) 1.0027(11) 0.058(10) Uiso 1 1 d . . . . .
H26G H 0.4917 0.6431 1.0111 0.070 Uiso 1 1 calc R U . . .
H26H H 0.4035 0.6654 1.0137 0.070 Uiso 1 1 calc R U . . .
C265 C 0.433(2) 0.6460(16) 0.9592(13) 0.072(12) Uiso 1 1 d . . . . .
H26I H 0.4538 0.6754 0.9494 0.086 Uiso 1 1 calc R U . . .
H26J H 0.4639 0.6206 0.9481 0.086 Uiso 1 1 calc R U . . .
C266 C 0.349(2) 0.6449(13) 0.9498(12) 0.060(10) Uiso 1 1 d . . . . .
H26K H 0.3414 0.6517 0.9224 0.072 Uiso 1 1 calc R U . . .
H26L H 0.3177 0.6685 0.9631 0.072 Uiso 1 1 calc R U . . .
C271 C 0.0284(18) 0.7362(11) 0.9811(9) 0.049(8) Uiso 1 1 d D . . . .
H271 H -0.0042 0.7180 0.9651 0.058 Uiso 1 1 calc R U . . .
C272 C -0.029(2) 0.7696(12) 1.0019(10) 0.060(10) Uiso 1 1 d D . . . .
H27A H -0.0681 0.7519 1.0163 0.072 Uiso 1 1 calc R U . . .
H27B H 0.0014 0.7857 1.0199 0.072 Uiso 1 1 calc R U . . .
C273 C -0.071(3) 0.8052(15) 0.9735(13) 0.092(15) Uiso 1 1 d D . . . .
H27C H -0.1064 0.7893 0.9576 0.111 Uiso 1 1 calc R U . . .
H27D H -0.1038 0.8275 0.9874 0.111 Uiso 1 1 calc R U . . .
C274 C -0.012(3) 0.8313(16) 0.9480(13) 0.086(14) Uiso 1 1 d D . . . .
H27E H 0.0215 0.8489 0.9637 0.103 Uiso 1 1 calc R U . . .
H27F H -0.0405 0.8533 0.9300 0.103 Uiso 1 1 calc R U . . .
C275 C 0.042(4) 0.7975(18) 0.9258(15) 0.14(3) Uiso 1 1 d D . . . .
H27G H 0.0805 0.8146 0.9102 0.169 Uiso 1 1 calc R U . . .
H27H H 0.0098 0.7811 0.9089 0.169 Uiso 1 1 calc R U . . .
C276 C 0.086(2) 0.7625(13) 0.9545(10) 0.059(10) Uiso 1 1 d D . . . .
H27I H 0.1190 0.7402 0.9406 0.071 Uiso 1 1 calc R U . . .
H27J H 0.1216 0.7791 0.9699 0.071 Uiso 1 1 calc R U . . .
C281 C -0.3187(16) 0.4322(10) 0.5797(8) 0.030(6) Uiso 1 1 d . . . . .
H281 H -0.3504 0.4588 0.5892 0.036 Uiso 1 1 calc R U . . .
C282 C -0.3413(18) 0.3912(11) 0.6048(9) 0.042(7) Uiso 1 1 d . . . . .
H28A H -0.3070 0.3641 0.5988 0.050 Uiso 1 1 calc R U . . .
H28B H -0.3323 0.3971 0.6313 0.050 Uiso 1 1 calc R U . . .
C283 C -0.425(2) 0.3806(15) 0.6002(12) 0.064(10) Uiso 1 1 d . . . . .
H28C H -0.4596 0.4038 0.6123 0.076 Uiso 1 1 calc R U . . .
H28D H -0.4341 0.3503 0.6131 0.076 Uiso 1 1 calc R U . . .
C284 C -0.447(3) 0.3804(18) 0.5586(15) 0.091(15) Uiso 1 1 d . . . . .
H28E H -0.4204 0.3531 0.5481 0.109 Uiso 1 1 calc R U . . .
H28F H -0.5044 0.3774 0.5569 0.109 Uiso 1 1 calc R U . . .
C285 C -0.426(2) 0.4221(12) 0.5351(10) 0.049(8) Uiso 1 1 d . . . . .
H28G H -0.4357 0.4179 0.5083 0.059 Uiso 1 1 calc R U . . .
H28H H -0.4590 0.4489 0.5424 0.059 Uiso 1 1 calc R U . . .
C286 C -0.3425(17) 0.4306(11) 0.5400(8) 0.037(7) Uiso 1 1 d . . . . .
H28I H -0.3314 0.4600 0.5263 0.044 Uiso 1 1 calc R U . . .
H28J H -0.3098 0.4061 0.5286 0.044 Uiso 1 1 calc R U . . .
C291 C -0.050(2) 0.2905(12) 0.6056(10) 0.048(8) Uiso 1 1 d . . . . .
H291 H -0.0162 0.3133 0.6159 0.058 Uiso 1 1 calc R U . . .
C292 C -0.006(2) 0.2432(12) 0.6066(11) 0.054(9) Uiso 1 1 d . . . . .
H29A H 0.0145 0.2358 0.6323 0.064 Uiso 1 1 calc R U . . .
H29B H 0.0393 0.2450 0.5892 0.064 Uiso 1 1 calc R U . . .
C293 C -0.055(2) 0.2030(12) 0.5961(10) 0.051(9) Uiso 1 1 d . . . . .
H29C H -0.0225 0.1739 0.5991 0.061 Uiso 1 1 calc R U . . .
H29D H -0.0714 0.2079 0.5695 0.061 Uiso 1 1 calc R U . . .
C294 C -0.129(2) 0.2003(14) 0.6220(12) 0.063(10) Uiso 1 1 d . . . . .
H29E H -0.1620 0.1764 0.6137 0.076 Uiso 1 1 calc R U . . .
H29F H -0.1118 0.1911 0.6481 0.076 Uiso 1 1 calc R U . . .
C295 C -0.177(2) 0.2461(12) 0.6215(11) 0.053(9) Uiso 1 1 d . . . . .
H29G H -0.1996 0.2538 0.5962 0.064 Uiso 1 1 calc R U . . .
H29H H -0.2209 0.2440 0.6399 0.064 Uiso 1 1 calc R U . . .
C296 C -0.123(2) 0.2832(13) 0.6315(10) 0.052(9) Uiso 1 1 d . . . . .
H29I H -0.1049 0.2757 0.6575 0.063 Uiso 1 1 calc R U . . .
H29J H -0.1553 0.3126 0.6314 0.063 Uiso 1 1 calc R U . . .
C301 C 0.238(3) 0.3376(18) 0.5311(15) 0.086(14) Uiso 1 1 d . . . . .
H301 H 0.2797 0.3591 0.5243 0.103 Uiso 1 1 calc R U . . .
C302 C 0.213(3) 0.342(2) 0.5687(17) 0.109(19) Uiso 1 1 d . . . . .
H30A H 0.1763 0.3175 0.5759 0.131 Uiso 1 1 calc R U . . .
H30B H 0.1838 0.3717 0.5707 0.131 Uiso 1 1 calc R U . . .
C303 C 0.286(3) 0.3374(18) 0.5977(16) 0.091(15) Uiso 1 1 d . . . . .
H30C H 0.3286 0.3564 0.5876 0.110 Uiso 1 1 calc R U . . .
H30D H 0.2689 0.3483 0.6222 0.110 Uiso 1 1 calc R U . . .
C304 C 0.313(2) 0.2917(14) 0.6022(12) 0.066(11) Uiso 1 1 d . . . . .
H30E H 0.2706 0.2722 0.6113 0.079 Uiso 1 1 calc R U . . .
H30F H 0.3569 0.2877 0.6204 0.079 Uiso 1 1 calc R U . . .
C305 C 0.343(4) 0.279(2) 0.5620(19) 0.13(2) Uiso 1 1 d . . . . .
H30G H 0.3609 0.2460 0.5631 0.152 Uiso 1 1 calc R U . . .
H30H H 0.3873 0.2972 0.5540 0.152 Uiso 1 1 calc R U . . .
C306 C 0.270(3) 0.2883(16) 0.5308(14) 0.077(13) Uiso 1 1 d . . . . .
H30I H 0.2909 0.2824 0.5054 0.093 Uiso 1 1 calc R U . . .
H30J H 0.2282 0.2673 0.5371 0.093 Uiso 1 1 calc R U . . .
C311 C -0.0384(17) 0.3973(10) 0.6529(8) 0.034(7) Uiso 1 1 d . . . . .
H311 H -0.0802 0.3821 0.6398 0.041 Uiso 1 1 calc R U . . .
C312 C -0.0716(17) 0.4428(10) 0.6615(9) 0.037(7) Uiso 1 1 d . . . . .
H31A H -0.0882 0.4599 0.6377 0.045 Uiso 1 1 calc R U . . .
H31B H -0.0299 0.4597 0.6725 0.045 Uiso 1 1 calc R U . . .
C313 C -0.144(2) 0.4423(12) 0.6895(10) 0.047(8) Uiso 1 1 d . . . . .
H31C H -0.1577 0.4736 0.6971 0.057 Uiso 1 1 calc R U . . .
H31D H -0.1902 0.4313 0.6771 0.057 Uiso 1 1 calc R U . . .
C314 C -0.123(2) 0.4119(13) 0.7225(11) 0.056(9) Uiso 1 1 d . . . . .
H31E H -0.1698 0.4113 0.7393 0.068 Uiso 1 1 calc R U . . .
H31F H -0.0817 0.4263 0.7360 0.068 Uiso 1 1 calc R U . . .
C315 C -0.095(2) 0.3634(13) 0.7179(11) 0.057(9) Uiso 1 1 d . . . . .
H31G H -0.1361 0.3466 0.7062 0.068 Uiso 1 1 calc R U . . .
H31H H -0.0807 0.3474 0.7424 0.068 Uiso 1 1 calc R U . . .
C316 C -0.0211(18) 0.3675(11) 0.6913(9) 0.040(7) Uiso 1 1 d . . . . .
H31I H -0.0010 0.3364 0.6855 0.048 Uiso 1 1 calc R U . . .
H31J H 0.0207 0.3815 0.7049 0.048 Uiso 1 1 calc R U . . .
C321 C 0.0871(14) 0.5591(8) 0.6819(7) 0.020(5) Uiso 1 1 d . . . . .
H321 H 0.0316 0.5595 0.6731 0.024 Uiso 1 1 calc R U . . .
C322 C 0.0988(19) 0.6069(11) 0.6930(9) 0.042(7) Uiso 1 1 d . . . . .
H32C H 0.1555 0.6095 0.6975 0.050 Uiso 1 1 calc R U . . .
H32D H 0.0838 0.6288 0.6715 0.050 Uiso 1 1 calc R U . . .
C323 C 0.054(2) 0.6213(13) 0.7272(10) 0.053(9) Uiso 1 1 d . . . . .
H32E H -0.0026 0.6262 0.7210 0.064 Uiso 1 1 calc R U . . .
H32F H 0.0725 0.6506 0.7346 0.064 Uiso 1 1 calc R U . . .
C324 C 0.0641(19) 0.5841(11) 0.7613(9) 0.042(7) Uiso 1 1 d . . . . .
H32G H 0.1193 0.5820 0.7698 0.050 Uiso 1 1 calc R U . . .
H32H H 0.0301 0.5932 0.7825 0.050 Uiso 1 1 calc R U . . .
C325 C 0.043(2) 0.5395(14) 0.7500(12) 0.063(10) Uiso 1 1 d . . . . .
H32I H -0.0130 0.5412 0.7431 0.076 Uiso 1 1 calc R U . . .
H32J H 0.0508 0.5165 0.7716 0.076 Uiso 1 1 calc R U . . .
C326 C 0.0929(17) 0.5240(10) 0.7166(8) 0.032(6) Uiso 1 1 d . . . . .
H32K H 0.0755 0.4943 0.7095 0.038 Uiso 1 1 calc R U . . .
H32L H 0.1485 0.5194 0.7244 0.038 Uiso 1 1 calc R U . . .
C331 C 0.1553(16) 0.6792(9) 0.5333(8) 0.030(6) Uiso 1 1 d . . . . .
H331 H 0.1456 0.6961 0.5082 0.036 Uiso 1 1 calc R U . . .
C332 C 0.228(2) 0.6440(12) 0.5292(11) 0.051(9) Uiso 1 1 d . . . . .
H33C H 0.2334 0.6236 0.5525 0.061 Uiso 1 1 calc R U . . .
H33D H 0.2191 0.6248 0.5081 0.061 Uiso 1 1 calc R U . . .
C333 C 0.305(2) 0.6700(12) 0.5219(10) 0.050(8) Uiso 1 1 d . . . . .
H33E H 0.3506 0.6476 0.5246 0.060 Uiso 1 1 calc R U . . .
H33F H 0.3046 0.6834 0.4956 0.060 Uiso 1 1 calc R U . . .
C334 C 0.3156(19) 0.7062(11) 0.5466(9) 0.042(7) Uiso 1 1 d . . . . .
H33G H 0.3624 0.7224 0.5376 0.050 Uiso 1 1 calc R U . . .
H33H H 0.3282 0.6916 0.5719 0.050 Uiso 1 1 calc R U . . .
C335 C 0.251(2) 0.7410(12) 0.5510(10) 0.051(9) Uiso 1 1 d . . . . .
H33I H 0.2424 0.7598 0.5270 0.061 Uiso 1 1 calc R U . . .
H33J H 0.2640 0.7614 0.5706 0.061 Uiso 1 1 calc R U . . .
C336 C 0.175(2) 0.7155(14) 0.5625(12) 0.067(11) Uiso 1 1 d . . . . .
H33K H 0.1298 0.7383 0.5640 0.080 Uiso 1 1 calc R U . . .
H33L H 0.1820 0.6996 0.5877 0.080 Uiso 1 1 calc R U . . .
C341 C 0.320(2) 0.5000(14) 0.5939(13) 0.067(11) Uiso 1 1 d . . . . .
H341 H 0.2944 0.5121 0.6168 0.080 Uiso 1 1 calc R U . . .
C342 C 0.336(2) 0.5388(14) 0.5700(12) 0.064(10) Uiso 1 1 d . . . . .
H34A H 0.2858 0.5567 0.5639 0.077 Uiso 1 1 calc R U . . .
H34B H 0.3598 0.5291 0.5463 0.077 Uiso 1 1 calc R U . . .
C343 C 0.392(3) 0.5692(16) 0.5896(14) 0.080(13) Uiso 1 1 d . . . . .
H34C H 0.4102 0.5933 0.5712 0.096 Uiso 1 1 calc R U . . .
H34D H 0.3639 0.5844 0.6101 0.096 Uiso 1 1 calc R U . . .
C344 C 0.461(2) 0.5413(13) 0.6051(12) 0.059(10) Uiso 1 1 d . . . . .
H34E H 0.4921 0.5610 0.6198 0.071 Uiso 1 1 calc R U . . .
H34F H 0.4941 0.5315 0.5838 0.071 Uiso 1 1 calc R U . . .
C345 C 0.443(2) 0.4984(14) 0.6302(12) 0.066(11) Uiso 1 1 d . . . . .
H34G H 0.4170 0.5075 0.6538 0.079 Uiso 1 1 calc R U . . .
H34H H 0.4926 0.4805 0.6369 0.079 Uiso 1 1 calc R U . . .
C346 C 0.387(2) 0.4681(12) 0.6083(11) 0.052(9) Uiso 1 1 d . . . . .
H34I H 0.4157 0.4544 0.5871 0.063 Uiso 1 1 calc R U . . .
H34J H 0.3674 0.4431 0.6254 0.063 Uiso 1 1 calc R U . . .
C351 C 0.3531(15) 0.3816(9) 0.4490(7) 0.025(6) Uiso 1 1 d . . . . .
H351 H 0.3103 0.3630 0.4603 0.030 Uiso 1 1 calc R U . . .
C352 C 0.4279(18) 0.3719(11) 0.4719(9) 0.039(7) Uiso 1 1 d . . . . .
H35C H 0.4702 0.3904 0.4609 0.047 Uiso 1 1 calc R U . . .
H35D H 0.4185 0.3799 0.4981 0.047 Uiso 1 1 calc R U . . .
C353 C 0.451(3) 0.3233(14) 0.4711(12) 0.069(11) Uiso 1 1 d . . . . .
H35E H 0.4092 0.3052 0.4831 0.083 Uiso 1 1 calc R U . . .
H35F H 0.4996 0.3164 0.4859 0.083 Uiso 1 1 calc R U . . .
C354 C 0.465(3) 0.3094(19) 0.4311(15) 0.091(15) Uiso 1 1 d . . . . .
H35G H 0.4810 0.2763 0.4318 0.110 Uiso 1 1 calc R U . . .
H35H H 0.5083 0.3266 0.4194 0.110 Uiso 1 1 calc R U . . .
C355 C 0.391(3) 0.3190(15) 0.4073(14) 0.075(12) Uiso 1 1 d . . . . .
H35I H 0.3480 0.3000 0.4174 0.090 Uiso 1 1 calc R U . . .
H35J H 0.4015 0.3117 0.3809 0.090 Uiso 1 1 calc R U . . .
C356 C 0.365(2) 0.3720(12) 0.4090(10) 0.048(8) Uiso 1 1 d . . . . .
H35K H 0.4070 0.3908 0.3977 0.058 Uiso 1 1 calc R U . . .
H35L H 0.3163 0.3797 0.3948 0.058 Uiso 1 1 calc R U . . .
C361 C 0.0952(18) 0.3786(10) 0.3691(9) 0.038(7) Uiso 1 1 d . . . . .
H361 H 0.0401 0.3715 0.3635 0.045 Uiso 1 1 calc R U . . .
C362 C 0.1214(18) 0.3506(10) 0.4039(9) 0.039(7) Uiso 1 1 d . . . . .
H36C H 0.0872 0.3590 0.4252 0.047 Uiso 1 1 calc R U . . .
H36D H 0.1758 0.3576 0.4098 0.047 Uiso 1 1 calc R U . . .
C363 C 0.118(3) 0.2969(15) 0.3991(13) 0.071(11) Uiso 1 1 d . . . . .
H36E H 0.1400 0.2792 0.4217 0.085 Uiso 1 1 calc R U . . .
H36F H 0.0633 0.2890 0.3960 0.085 Uiso 1 1 calc R U . . .
C364 C 0.166(3) 0.2854(17) 0.3651(14) 0.081(13) Uiso 1 1 d . . . . .
H36G H 0.1592 0.2530 0.3605 0.097 Uiso 1 1 calc R U . . .
H36H H 0.2220 0.2883 0.3707 0.097 Uiso 1 1 calc R U . . .
C365 C 0.145(2) 0.3151(14) 0.3286(12) 0.065(11) Uiso 1 1 d . . . . .
H36I H 0.0924 0.3086 0.3200 0.078 Uiso 1 1 calc R U . . .
H36J H 0.1837 0.3077 0.3086 0.078 Uiso 1 1 calc R U . . .
C366 C 0.147(2) 0.3665(13) 0.3363(11) 0.058(10) Uiso 1 1 d . . . . .
H36K H 0.2019 0.3737 0.3415 0.069 Uiso 1 1 calc R U . . .
H36L H 0.1296 0.3856 0.3135 0.069 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1 Au6 2.7551(19) . ?
Au1 Au13 2.756(2) . ?
Au1 Au8 2.760(2) . ?
Au1 Au11 2.765(2) . ?
Au1 Au9 2.7744(19) . ?
Au1 Ag5 2.777(2) . ?
Au1 Au10 2.7773(19) . ?
Au2 S1 2.451(7) . ?
Au2 Au7 2.901(3) . ?
Au2 Au6 2.903(3) . ?
Au2 Au4 2.926(2) . ?
Au2 Au8 2.932(2) . ?
Au2 Ag5 2.939(2) . ?
Au2 Au20 3.000(2) . ?
Au3 S4 2.455(7) . ?
Au3 Au10 2.914(3) . ?
Au3 Au9 2.935(3) . ?
Au3 Au11 2.936(3) . ?
Au3 Au12 2.943(2) . ?
Au3 Au13 2.954(3) . ?
Au4 S7 2.445(7) . ?
Au4 Au8 2.896(3) . ?
Au4 Au9 2.932(2) . ?
Au4 Ag5 2.938(2) . ?
Au4 Au10 2.941(2) . ?
Au4 Au15 3.106(2) . ?
Au6 S6 2.458(7) . ?
Au6 Au11 2.864(2) . ?
Au6 Ag5 2.888(3) . ?
Au6 Ag21 2.906(2) . ?
Au6 Au12 2.910(3) . ?
Au6 Au7 2.951(2) . ?
Au7 S12 2.498(6) . ?
Au7 Au13 2.918(2) . ?
Au7 Au8 2.924(3) . ?
Au7 Au12 2.954(2) . ?
Au8 S13 2.446(7) . ?
Au8 Au9 2.869(2) . ?
Au8 Au13 2.876(3) . ?
Au9 S3 2.476(7) . ?
Au9 Au13 2.894(3) . ?
Au9 Ag24 2.929(3) . ?
Au9 Au10 2.963(2) . ?
Au10 S16 2.465(6) . ?
Au10 Ag5 2.895(2) . ?
Au10 Au11 2.899(3) . ?
Au10 Au19 3.093(2) . ?
Au11 S9 2.491(7) . ?
Au11 Ag5 2.865(3) . ?
Au11 Ag16 2.902(3) . ?
Au11 Au12 2.938(3) . ?
Au12 S15 2.485(10) . ?
Au12 Au13 2.921(3) . ?
Au13 S18 2.502(7) . ?
Au13 Ag23 2.902(3) . ?
Au15 S2 2.325(6) . ?
Au15 S3 2.326(6) . ?
Au17 S5 2.340(8) . ?
Au17 S6 2.342(7) . ?
Au19 S8 2.344(7) . ?
Au19 S9 2.376(8) . ?
Au19 Ag5 3.161(2) . ?
Au20 S11 2.320(6) . ?
Au20 S10 2.340(7) . ?
Au20 Ag5 3.0485(19) . ?
Au22 S14 2.331(8) . ?
Au22 S13 2.388(8) . ?
Au25 S17 2.328(8) . ?
Au25 S18 2.339(8) . ?
Au26 Ag30 2.753(2) 2_567 ?
Au26 Au30 2.753(2) 2_567 ?
Au26 Au30 2.753(2) . ?
Au26 Au28 2.7634(15) . ?
Au26 Ag28 2.7635(15) 2_567 ?
Au26 Au28 2.7635(15) 2_567 ?
Au26 Ag31 2.7760(17) 2_567 ?
Au26 Au31 2.7760(17) 2_567 ?
Au26 Au31 2.7760(17) . ?
Au27 S19 2.440(8) . ?
Au27 Ag32 2.827(3) 2_567 ?
Au27 Au32 2.827(3) 2_567 ?
Au27 Ag28 2.886(2) 2_567 ?
Au27 Au28 2.886(2) 2_567 ?
Au27 Ag31 2.895(3) 2_567 ?
Au27 Au31 2.895(3) 2_567 ?
Au27 Au29 2.953(2) . ?
Au27 Ag35 2.977(3) . ?
Au27 Au30 2.977(3) . ?
Au28 S21 2.450(6) . ?
Au28 Ag27 2.886(2) 2_567 ?
Au28 Au27 2.886(2) 2_567 ?
Au28 Ag31 2.919(2) 2_567 ?
Au28 Au31 2.919(2) 2_567 ?
Au28 Ag30 2.923(3) 2_567 ?
Au28 Au30 2.923(3) 2_567 ?
Au28 Au32 2.927(3) . ?
Au28 Au29 2.945(3) . ?
Au29 S22 2.505(8) . ?
Au29 Au30 2.886(2) . ?
Au29 Ag31 2.889(3) 2_567 ?
Au29 Au31 2.889(3) 2_567 ?
Au29 Ag36 2.977(3) . ?
Au29 Au32 2.994(2) . ?
Au30 S25 2.444(8) . ?
Au30 Au32 2.900(2) . ?
Au30 Ag28 2.923(3) 2_567 ?
Au30 Au28 2.923(3) 2_567 ?
Au30 Au31 2.931(3) . ?
Au31 S24 2.486(8) . ?
Au31 Ag29 2.889(3) 2_567 ?
Au31 Au29 2.889(3) 2_567 ?
Au31 Ag27 2.895(3) 2_567 ?
Au31 Au27 2.895(3) 2_567 ?
Au31 Au32 2.900(2) . ?
Au31 Ag28 2.919(2) 2_567 ?
Au31 Au28 2.919(2) 2_567 ?
Au32 S26 2.468(7) . ?
Au32 Ag27 2.827(3) 2_567 ?
Au32 Au27 2.827(3) 2_567 ?
Au32 Ag36 2.955(3) . ?
Au34 S20 2.286(9) . ?
Au34 S19 2.374(10) . ?
Au34 Ag31 3.101(3) 2_567 ?
Au34 Au31 3.101(3) 2_567 ?
Au34 Ag33 3.375(3) . ?
Au37 S24 2.344(7) . ?
Au37 S23 2.348(7) . ?
Au38 S26 2.335(8) . ?
Au38 S27 2.339(8) . ?
Au38 Ag27 3.148(2) 2_567 ?
Au38 Au27 3.148(2) 2_567 ?
Au39 Au40 2.7558(19) . ?
Au39 Ag40 2.7559(19) 2_566 ?
Au39 Au40 2.7559(19) 2_566 ?
Au39 Ag45 2.7588(17) 2_566 ?
Au39 Au45 2.7588(17) 2_566 ?
Au39 Au45 2.7589(17) . ?
Au39 Au44 2.7674(19) . ?
Au39 Ag44 2.7674(19) 2_566 ?
Au39 Au44 2.7674(19) 2_566 ?
Au40 S28 2.481(7) . ?
Au40 Ag45 2.869(2) 2_566 ?
Au40 Au45 2.869(2) 2_566 ?
Au40 Ag44 2.877(3) 2_566 ?
Au40 Au44 2.877(3) 2_566 ?
Au40 Ag51 2.890(3) 2_566 ?
Au40 Ag41 2.919(2) 2_566 ?
Au40 Au41 2.919(2) 2_566 ?
Au40 Au43 2.938(3) . ?
Au41 S30 2.460(7) . ?
Au41 Ag44 2.916(3) 2_566 ?
Au41 Au44 2.916(3) 2_566 ?
Au41 Ag40 2.919(2) 2_566 ?
Au41 Au40 2.919(2) 2_566 ?
Au41 Au43 2.934(3) . ?
Au41 Ag42 2.938(2) 2_566 ?
Au41 Au42 2.938(2) 2_566 ?
Au41 Au45 2.943(3) . ?
Au42 S36 2.468(8) 2_566 ?
Au42 Au45 2.886(3) . ?
Au42 Au44 2.918(2) . ?
Au42 Ag41 2.939(2) 2_566 ?
Au42 Au41 2.939(2) 2_566 ?
Au42 Au43 2.947(3) . ?
Au43 S31 2.439(6) . ?
Au43 Ag44 2.908(2) 2_566 ?
Au43 Au44 2.908(2) 2_566 ?
Au43 Au45 2.937(3) . ?
Au44 S33 2.467(8) . ?
Au44 Ag40 2.877(3) 2_566 ?
Au44 Au40 2.877(3) 2_566 ?
Au44 Au45 2.892(3) . ?
Au44 Ag43 2.907(2) 2_566 ?
Au44 Au43 2.907(2) 2_566 ?
Au44 Ag41 2.916(3) 2_566 ?
Au44 Au41 2.916(3) 2_566 ?
Au45 S34 2.482(7) . ?
Au45 Ag40 2.869(2) 2_566 ?
Au45 Au40 2.869(2) 2_566 ?
Au45 Ag49 2.941(3) . ?
Au46 S29 2.331(9) . ?
Au46 S28 2.340(8) . ?
Au46 Ag44 3.232(2) 2_566 ?
Au46 Au44 3.232(2) 2_566 ?
Au48 S32 2.322(6) . ?
Au48 S33 2.347(7) . ?
Au50 S35 2.324(9) . ?
Au50 S34 2.349(8) . ?
Au50 Ag40 3.266(2) 2_566 ?
Au50 Au40 3.266(2) 2_566 ?
Ag5 S10 2.509(7) . ?
Ag5 Ag18 2.912(3) . ?
Ag14 S2 2.405(7) . ?
Ag14 S1 2.427(7) . ?
Ag16 S5 2.391(8) . ?
Ag16 S4 2.419(8) . ?
Ag18 S7 2.389(7) . ?
Ag18 S8 2.395(7) . ?
Ag21 S12 2.401(7) . ?
Ag21 S11 2.414(7) . ?
Ag23 S15 2.405(9) . ?
Ag23 S14 2.407(8) . ?
Ag24 S17 2.387(9) . ?
Ag24 S16 2.391(8) . ?
Ag33 S20 2.352(9) . ?
Ag33 S21 2.366(8) . ?
Ag33 Ag31 2.974(3) 2_567 ?
Ag33 Au31 2.974(3) 2_567 ?
Ag35 S25 2.404(8) . ?
Ag35 S27 2.405(8) 2_567 ?
Ag35 Au28 3.346(3) 2_567 ?
Ag35 Ag28 3.346(3) 2_567 ?
Ag36 S23 2.395(8) . ?
Ag36 S22 2.408(7) . ?
Ag47 S29 2.377(8) . ?
Ag47 S30 2.397(9) . ?
Ag47 Ag44 2.947(3) 2_566 ?
Ag47 Au44 2.947(3) 2_566 ?
Ag49 S32 2.413(8) . ?
Ag49 S31 2.418(7) . ?
Ag51 S35 2.403(7) . ?
Ag51 S36 2.414(7) . ?
Ag51 Ag40 2.890(3) 2_566 ?
Ag51 Au40 2.890(3) 2_566 ?
Ag51 Ag42 2.994(3) 2_566 ?
Ag51 Au42 2.994(3) 2_566 ?
S1 C11 1.76(3) . ?
S2 C21 1.85(3) . ?
S3 C31 1.80(3) . ?
S4 C41 1.83(4) . ?
S5 C51 1.83(4) . ?
S6 C61 1.77(3) . ?
S7 C71 1.85(3) . ?
S8 C81 1.85(3) . ?
S9 C91 1.87(3) . ?
S10 C100 1.82(2) . ?
S11 C111 1.81(3) . ?
S12 C121 1.85(3) . ?
S13 C131 1.87(3) . ?
S14 C141 1.94(3) . ?
S15 C151 1.90(4) . ?
S16 C161 1.86(3) . ?
S17 C171 1.80(4) . ?
S18 C181 1.84(3) . ?
S19 C191 1.87(4) . ?
S20 C201 1.83(4) . ?
S21 C211 1.80(3) . ?
S22 C221 1.89(4) . ?
S23 C231 1.89(3) . ?
S24 C241 1.87(4) . ?
S25 C251 1.84(3) . ?
S26 C261 1.86(3) . ?
S27 C271 1.75(3) . ?
S27 Ag35 2.405(8) 2_567 ?
S28 C281 1.87(3) . ?
S29 C291 1.81(3) . ?
S30 C301 1.72(5) . ?
S31 C311 1.79(3) . ?
S32 C321 1.77(3) . ?
S33 C331 1.77(3) . ?
S34 C341 1.90(4) . ?
S35 C351 1.89(3) . ?
S36 C361 1.85(3) . ?
S36 Ag42 2.468(8) 2_566 ?
S36 Au42 2.468(8) 2_566 ?
N1 C1A 1.47(4) . ?
N1 C1D 1.55(5) . ?
N1 C1C 1.56(5) . ?
N1 C1B 1.59(4) . ?
C1A C2A 1.55(6) . ?
C1A H1AA 0.9900 . ?
C1A H1AB 0.9900 . ?
C2A C3A 1.47(5) . ?
C2A H2AA 0.9900 . ?
C2A H2AB 0.9900 . ?
C3A C4A 1.53(5) . ?
C3A H3AA 0.9900 . ?
C3A H3AB 0.9900 . ?
C4A C5A 1.54(5) . ?
C4A H4AA 0.9900 . ?
C4A H4AB 0.9900 . ?
C5A C6A 1.51(5) . ?
C5A H5AA 0.9900 . ?
C5A H5AB 0.9900 . ?
C6A C7A 1.57(5) . ?
C6A H6AA 0.9900 . ?
C6A H6AB 0.9900 . ?
C7A C8A 1.65(8) . ?
C7A H7AA 0.9900 . ?
C7A H7AB 0.9900 . ?
C8A H8AA 0.9800 . ?
C8A H8AB 0.9800 . ?
C8A H8AC 0.9800 . ?
C1B C2B 1.44(5) . ?
C1B H1BA 0.9900 . ?
C1B H1BB 0.9900 . ?
C2B C3B 1.57(5) . ?
C2B H2BA 0.9900 . ?
C2B H2BB 0.9900 . ?
C3B C4B 1.55(5) . ?
C3B H3BA 0.9900 . ?
C3B H3BB 0.9900 . ?
C4B C5B 1.56(5) . ?
C4B H4BA 0.9900 . ?
C4B H4BB 0.9900 . ?
C5B C6B 1.45(5) . ?
C5B H5BA 0.9900 . ?
C5B H5BB 0.9900 . ?
C6B C7B 1.46(6) . ?
C6B H6BA 0.9900 . ?
C6B H6BB 0.9900 . ?
C7B C8B 1.45(7) . ?
C7B H7BA 0.9900 . ?
C7B H7BB 0.9900 . ?
C8B H8BA 0.9800 . ?
C8B H8BB 0.9800 . ?
C8B H8BC 0.9800 . ?
C1C C2C 1.57(3) . ?
C1C H1CA 0.9900 . ?
C1C H1CB 0.9900 . ?
C2C C3C 1.57(3) . ?
C2C H2CA 0.9900 . ?
C2C H2CB 0.9900 . ?
C3C C4C 1.57(3) . ?
C3C H3CA 0.9900 . ?
C3C H3CB 0.9900 . ?
C4C C5C 1.57(3) . ?
C4C H4CA 0.9900 . ?
C4C H4CB 0.9900 . ?
C5C C6C 1.57(3) . ?
C5C H5CA 0.9900 . ?
C5C H5CB 0.9900 . ?
C6C C7C 1.57(3) . ?
C6C H6CA 0.9900 . ?
C6C H6CB 0.9900 . ?
C7C C8C 1.57(3) . ?
C7C H7CA 0.9900 . ?
C7C H7CB 0.9900 . ?
C8C H8CA 0.9800 . ?
C8C H8CB 0.9800 . ?
C8C H8CC 0.9800 . ?
C1D C2D 1.53(6) . ?
C1D H1DA 0.9900 . ?
C1D H1DB 0.9900 . ?
C2D C3D 1.43(7) . ?
C2D H2DA 0.9900 . ?
C2D H2DB 0.9900 . ?
C3D C4D 1.53(8) . ?
C3D H3DA 0.9900 . ?
C3D H3DB 0.9900 . ?
C4D C5D 1.57(8) . ?
C4D H4DA 0.9900 . ?
C4D H4DB 0.9900 . ?
C5D C6D 1.45(7) . ?
C5D H5DA 0.9900 . ?
C5D H5DB 0.9900 . ?
C6D C7D 1.30(7) . ?
C6D H6DA 0.9900 . ?
C6D H6DB 0.9900 . ?
C7D C8D 1.67(7) . ?
C7D H7DA 0.9900 . ?
C7D H7DB 0.9900 . ?
C8D H8DA 0.9800 . ?
C8D H8DB 0.9800 . ?
C8D H8DC 0.9800 . ?
C11 C12 1.49(6) . ?
C11 C16 1.60(7) . ?
C11 H11 1.0000 . ?
C12 C13 1.57(8) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 C14 1.47(8) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 C15 1.54(9) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C16 1.62(9) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C21 C26 1.49(4) . ?
C21 C22 1.60(4) . ?
C21 H21 1.0000 . ?
C22 C23 1.45(4) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 C24 1.55(5) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 C25 1.55(5) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 C26 1.47(5) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C31 C32 1.55(5) . ?
C31 C36 1.57(4) . ?
C31 H31 1.0000 . ?
C32 C33 1.54(6) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C33 C34 1.50(6) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C34 C35 1.51(5) . ?
C34 H34X 0.9900 . ?
C34 H34Y 0.9900 . ?
C35 C36 1.45(5) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
C41 C46 1.51(3) . ?
C41 C42 1.51(3) . ?
C41 H41 1.0000 . ?
C42 C43 1.52(3) . ?
C42 H42A 0.9900 . ?
C42 H42B 0.9900 . ?
C43 C44 1.56(10) . ?
C43 H43A 0.9900 . ?
C43 H43B 0.9900 . ?
C44 C45 1.51(3) . ?
C44 H44A 0.9900 . ?
C44 H44B 0.9900 . ?
C45 C46 1.51(3) . ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
C46 H46A 0.9900 . ?
C46 H46B 0.9900 . ?
C51 C52 1.48(6) . ?
C51 C56 1.60(6) . ?
C51 H51 1.0000 . ?
C52 C53 1.49(6) . ?
C52 H52A 0.9900 . ?
C52 H52B 0.9900 . ?
C53 C54 1.61(6) . ?
C53 H53A 0.9900 . ?
C53 H53B 0.9900 . ?
C54 C55 1.58(7) . ?
C54 H54A 0.9900 . ?
C54 H54B 0.9900 . ?
C55 C56 1.49(6) . ?
C55 H55A 0.9900 . ?
C55 H55B 0.9900 . ?
C56 H56A 0.9900 . ?
C56 H56B 0.9900 . ?
C61 C62 1.48(5) . ?
C61 C66 1.51(5) . ?
C61 H61 1.0000 . ?
C62 C63 1.56(6) . ?
C62 H62A 0.9900 . ?
C62 H62B 0.9900 . ?
C63 C64 1.48(6) . ?
C63 H63A 0.9900 . ?
C63 H63B 0.9900 . ?
C64 C65 1.57(6) . ?
C64 H64A 0.9900 . ?
C64 H64B 0.9900 . ?
C65 C66 1.49(6) . ?
C65 H65A 0.9900 . ?
C65 H65B 0.9900 . ?
C66 H66A 0.9900 . ?
C66 H66B 0.9900 . ?
C71 C72 1.50(4) . ?
C71 C76 1.61(4) . ?
C71 H71 1.0000 . ?
C72 C73 1.52(4) . ?
C72 H72A 0.9900 . ?
C72 H72B 0.9900 . ?
C73 C74 1.52(4) . ?
C73 H73A 0.9900 . ?
C73 H73B 0.9900 . ?
C74 C75 1.50(4) . ?
C74 H74A 0.9900 . ?
C74 H74B 0.9900 . ?
C75 C76 1.61(4) . ?
C75 H75A 0.9900 . ?
C75 H75B 0.9900 . ?
C76 H76A 0.9900 . ?
C76 H76B 0.9900 . ?
C81 C86 1.48(4) . ?
C81 C82 1.58(3) . ?
C81 H81 1.0000 . ?
C82 C83 1.54(4) . ?
C82 H82A 0.9900 . ?
C82 H82B 0.9900 . ?
C83 C84 1.50(5) . ?
C83 H83A 0.9900 . ?
C83 H83B 0.9900 . ?
C84 C85 1.58(5) . ?
C84 H84A 0.9900 . ?
C84 H84B 0.9900 . ?
C85 C86 1.50(5) . ?
C85 H85A 0.9900 . ?
C85 H85B 0.9900 . ?
C86 H86A 0.9900 . ?
C86 H86B 0.9900 . ?
C91 C96 1.41(6) . ?
C91 C92 1.50(6) . ?
C91 H91 1.0000 . ?
C92 C93 1.63(7) . ?
C92 H92A 0.9900 . ?
C92 H92B 0.9900 . ?
C93 C94 1.47(7) . ?
C93 H93A 0.9900 . ?
C93 H93B 0.9900 . ?
C94 C95 1.41(6) . ?
C94 H94A 0.9900 . ?
C94 H94B 0.9900 . ?
C95 C96 1.64(7) . ?
C95 H95A 0.9900 . ?
C95 H95B 0.9900 . ?
C96 H96A 0.9900 . ?
C96 H96B 0.9900 . ?
C100 C101 1.55(4) . ?
C100 C106 1.56(3) . ?
C100 H100 1.0000 . ?
C101 C103 1.59(5) . ?
C101 H10A 0.9900 . ?
C101 H10B 0.9900 . ?
C103 C104 1.41(5) . ?
C103 H10C 0.9900 . ?
C103 H10D 0.9900 . ?
C104 C105 1.56(5) . ?
C104 H10E 0.9900 . ?
C104 H10F 0.9900 . ?
C105 C106 1.55(4) . ?
C105 H10G 0.9900 . ?
C105 H10H 0.9900 . ?
C106 H10I 0.9900 . ?
C106 H10J 0.9900 . ?
C111 C116 1.56(4) . ?
C111 C112 1.58(5) . ?
C111 H111 1.0000 . ?
C112 C113 1.51(5) . ?
C112 H11A 0.9900 . ?
C112 H11B 0.9900 . ?
C113 C114 1.50(5) . ?
C113 H11C 0.9900 . ?
C113 H11D 0.9900 . ?
C114 C115 1.53(5) . ?
C114 H11E 0.9900 . ?
C114 H11F 0.9900 . ?
C115 C116 1.45(4) . ?
C115 H11G 0.9900 . ?
C115 H11H 0.9900 . ?
C116 H11I 0.9900 . ?
C116 H11J 0.9900 . ?
C121 C126 1.48(4) . ?
C121 C122 1.50(4) . ?
C121 H121 1.0000 . ?
C122 C123 1.60(4) . ?
C122 H12C 0.9900 . ?
C122 H12D 0.9900 . ?
C123 C124 1.51(5) . ?
C123 H12E 0.9900 . ?
C123 H12F 0.9900 . ?
C124 C125 1.53(5) . ?
C124 H12G 0.9900 . ?
C124 H12H 0.9900 . ?
C125 C126 1.52(4) . ?
C125 H12I 0.9900 . ?
C125 H12J 0.9900 . ?
C126 H12K 0.9900 . ?
C126 H12L 0.9900 . ?
C131 C132 1.45(4) . ?
C131 C136 1.54(4) . ?
C131 H131 1.0000 . ?
C132 C133 1.56(4) . ?
C132 H13C 0.9900 . ?
C132 H13D 0.9900 . ?
C133 C134 1.50(5) . ?
C133 H13E 0.9900 . ?
C133 H13F 0.9900 . ?
C134 C135 1.44(5) . ?
C134 H13G 0.9900 . ?
C134 H13H 0.9900 . ?
C135 C136 1.52(4) . ?
C135 H13I 0.9900 . ?
C135 H13J 0.9900 . ?
C136 H13K 0.9900 . ?
C136 H13L 0.9900 . ?
C141 C142 1.44(4) . ?
C141 C146 1.54(4) . ?
C141 H141 1.0000 . ?
C142 C143 1.51(4) . ?
C142 H14C 0.9900 . ?
C142 H14D 0.9900 . ?
C143 C144 1.51(5) . ?
C143 H14E 0.9900 . ?
C143 H14F 0.9900 . ?
C144 C145 1.52(5) . ?
C144 H14G 0.9900 . ?
C144 H14H 0.9900 . ?
C145 C146 1.54(4) . ?
C145 H14I 0.9900 . ?
C145 H14J 0.9900 . ?
C146 H14K 0.9900 . ?
C146 H14L 0.9900 . ?
C151 C156 1.32(5) . ?
C151 C152 1.53(7) . ?
C151 H151 1.0000 . ?
C152 C153 1.52(8) . ?
C152 H15C 0.9900 . ?
C152 H15D 0.9900 . ?
C153 C154 1.55(8) . ?
C153 H15E 0.9900 . ?
C153 H15F 0.9900 . ?
C154 C155 1.44(8) . ?
C154 H15G 0.9900 . ?
C154 H15H 0.9900 . ?
C155 C156 1.45(8) . ?
C155 H15I 0.9900 . ?
C155 H15J 0.9900 . ?
C156 H15K 0.9900 . ?
C156 H15L 0.9900 . ?
C161 C166 1.45(4) . ?
C161 C162 1.49(4) . ?
C161 H161 1.0000 . ?
C162 C163 1.55(5) . ?
C162 H16C 0.9900 . ?
C162 H16D 0.9900 . ?
C163 C164 1.56(6) . ?
C163 H16E 0.9900 . ?
C163 H16F 0.9900 . ?
C164 C165 1.58(5) . ?
C164 H16G 0.9900 . ?
C164 H16H 0.9900 . ?
C165 C166 1.55(4) . ?
C165 H16I 0.9900 . ?
C165 H16J 0.9900 . ?
C166 H16K 0.9900 . ?
C166 H16L 0.9900 . ?
C171 C172 1.52(5) . ?
C171 C176 1.64(6) . ?
C171 H171 1.0000 . ?
C172 C173 1.53(8) . ?
C172 H17A 0.9900 . ?
C172 H17B 0.9900 . ?
C173 C174 1.48(10) . ?
C173 H17C 0.9900 . ?
C173 H17D 0.9900 . ?
C174 C175 1.46(10) . ?
C174 H17E 0.9900 . ?
C174 H17F 0.9900 . ?
C175 C176 1.49(9) . ?
C175 H17G 0.9900 . ?
C175 H17H 0.9900 . ?
C176 H17I 0.9900 . ?
C176 H17J 0.9900 . ?
C181 C182 1.50(4) . ?
C181 C186 1.55(4) . ?
C181 H181 1.0000 . ?
C182 C183 1.52(5) . ?
C182 H18A 0.9900 . ?
C182 H18B 0.9900 . ?
C183 C184 1.50(6) . ?
C183 H18C 0.9900 . ?
C183 H18D 0.9900 . ?
C184 C185 1.47(6) . ?
C184 H18E 0.9900 . ?
C184 H18F 0.9900 . ?
C185 C186 1.57(4) . ?
C185 H18G 0.9900 . ?
C185 H18H 0.9900 . ?
C186 H18I 0.9900 . ?
C186 H18J 0.9900 . ?
C191 C192 1.41(6) . ?
C191 C196 1.52(6) . ?
C191 H191 1.0000 . ?
C192 C193 1.58(6) . ?
C192 H19A 0.9900 . ?
C192 H19B 0.9900 . ?
C193 C194 1.55(6) . ?
C193 H19C 0.9900 . ?
C193 H19D 0.9900 . ?
C194 C195 1.52(6) . ?
C194 H19E 0.9900 . ?
C194 H19F 0.9900 . ?
C195 C196 1.59(6) . ?
C195 H19G 0.9900 . ?
C195 H19H 0.9900 . ?
C196 H19I 0.9900 . ?
C196 H19J 0.9900 . ?
C201 C202 1.52(5) . ?
C201 C206 1.63(6) . ?
C201 H201 1.0000 . ?
C202 C203 1.56(8) . ?
C202 H20A 0.9900 . ?
C202 H20B 0.9900 . ?
C203 C204 1.30(9) . ?
C203 H20C 0.9900 . ?
C203 H20D 0.9900 . ?
C204 C205 1.67(9) . ?
C204 H20E 0.9900 . ?
C204 H20F 0.9900 . ?
C205 C206 1.53(7) . ?
C205 H20G 0.9900 . ?
C205 H20H 0.9900 . ?
C206 H20I 0.9900 . ?
C206 H20J 0.9900 . ?
C211 C212 1.52(4) . ?
C211 C216 1.63(4) . ?
C211 H211 1.0000 . ?
C212 C213 1.62(5) . ?
C212 H21A 0.9900 . ?
C212 H21B 0.9900 . ?
C213 C214 1.56(6) . ?
C213 H21C 0.9900 . ?
C213 H21D 0.9900 . ?
C214 C215 1.50(6) . ?
C214 H21E 0.9900 . ?
C214 H21F 0.9900 . ?
C215 C216 1.46(5) . ?
C215 H21G 0.9900 . ?
C215 H21H 0.9900 . ?
C216 H21I 0.9900 . ?
C216 H21J 0.9900 . ?
C221 C222 1.50(4) . ?
C221 C226 1.55(4) . ?
C221 H221 1.0000 . ?
C222 C223 1.57(4) . ?
C222 H22C 0.9900 . ?
C222 H22D 0.9900 . ?
C223 C224 1.48(5) . ?
C223 H22E 0.9900 . ?
C223 H22F 0.9900 . ?
C224 C225 1.45(5) . ?
C224 H22G 0.9900 . ?
C224 H22H 0.9900 . ?
C225 C226 1.53(4) . ?
C225 H22I 0.9900 . ?
C225 H22J 0.9900 . ?
C226 H22K 0.9900 . ?
C226 H22L 0.9900 . ?
C231 C236 1.40(4) . ?
C231 C232 1.56(4) . ?
C231 H231 1.0000 . ?
C232 C233 1.56(4) . ?
C232 H23C 0.9900 . ?
C232 H23D 0.9900 . ?
C233 C234 1.53(4) . ?
C233 H23E 0.9900 . ?
C233 H23F 0.9900 . ?
C234 C235 1.52(4) . ?
C234 H23G 0.9900 . ?
C234 H23H 0.9900 . ?
C235 C236 1.54(4) . ?
C235 H23I 0.9900 . ?
C235 H23J 0.9900 . ?
C236 H23K 0.9900 . ?
C236 H23L 0.9900 . ?
C241 C246 1.15(6) . ?
C241 C42B 1.46(8) . ?
C241 C46B 1.67(8) . ?
C241 C242 1.70(7) . ?
C242 C243 1.51(8) . ?
C243 C244 1.28(7) . ?
C42B C43B 1.48(9) . ?
C43B C244 1.58(7) . ?
C244 C45B 1.11(9) . ?
C244 C245 1.76(7) . ?
C245 C246 1.61(8) . ?
C45B C46B 1.63(10) . ?
C251 C256 1.51(4) . ?
C251 C252 1.55(4) . ?
C251 H251 1.0000 . ?
C252 C253 1.52(5) . ?
C252 H25C 0.9900 . ?
C252 H25D 0.9900 . ?
C253 C254 1.49(6) . ?
C253 H25E 0.9900 . ?
C253 H25F 0.9900 . ?
C254 C255 1.56(5) . ?
C254 H25G 0.9900 . ?
C254 H25H 0.9900 . ?
C255 C256 1.52(5) . ?
C255 H25I 0.9900 . ?
C255 H25J 0.9900 . ?
C256 H25K 0.9900 . ?
C256 H25L 0.9900 . ?
C261 C262 1.45(5) . ?
C261 C266 1.53(5) . ?
C261 H261 1.0000 . ?
C262 C263 1.51(5) . ?
C262 H26C 0.9900 . ?
C262 H26D 0.9900 . ?
C263 C264 1.55(5) . ?
C263 H26E 0.9900 . ?
C263 H26F 0.9900 . ?
C264 C265 1.55(6) . ?
C264 H26G 0.9900 . ?
C264 H26H 0.9900 . ?
C265 C266 1.48(5) . ?
C265 H26I 0.9900 . ?
C265 H26J 0.9900 . ?
C266 H26K 0.9900 . ?
C266 H26L 0.9900 . ?
C271 C272 1.56(2) . ?
C271 C276 1.56(2) . ?
C271 H271 1.0000 . ?
C272 C273 1.56(2) . ?
C272 H27A 0.9900 . ?
C272 H27B 0.9900 . ?
C273 C274 1.56(2) . ?
C273 H27C 0.9900 . ?
C273 H27D 0.9900 . ?
C274 C275 1.56(2) . ?
C274 H27E 0.9900 . ?
C274 H27F 0.9900 . ?
C275 C276 1.56(2) . ?
C275 H27G 0.9900 . ?
C275 H27H 0.9900 . ?
C276 H27I 0.9900 . ?
C276 H27J 0.9900 . ?
C281 C286 1.48(4) . ?
C281 C282 1.51(4) . ?
C281 H281 1.0000 . ?
C282 C283 1.50(5) . ?
C282 H28A 0.9900 . ?
C282 H28B 0.9900 . ?
C283 C284 1.53(6) . ?
C283 H28C 0.9900 . ?
C283 H28D 0.9900 . ?
C284 C285 1.49(6) . ?
C284 H28E 0.9900 . ?
C284 H28F 0.9900 . ?
C285 C286 1.47(4) . ?
C285 H28G 0.9900 . ?
C285 H28H 0.9900 . ?
C286 H28I 0.9900 . ?
C286 H28J 0.9900 . ?
C291 C292 1.53(5) . ?
C291 C296 1.56(5) . ?
C291 H291 1.0000 . ?
C292 C293 1.55(5) . ?
C292 H29A 0.9900 . ?
C292 H29B 0.9900 . ?
C293 C294 1.55(5) . ?
C293 H29C 0.9900 . ?
C293 H29D 0.9900 . ?
C294 C295 1.53(5) . ?
C294 H29E 0.9900 . ?
C294 H29F 0.9900 . ?
C295 C296 1.53(5) . ?
C295 H29G 0.9900 . ?
C295 H29H 0.9900 . ?
C296 H29I 0.9900 . ?
C296 H29J 0.9900 . ?
C301 C302 1.41(7) . ?
C301 C306 1.52(6) . ?
C301 H301 1.0000 . ?
C302 C303 1.62(7) . ?
C302 H30A 0.9900 . ?
C302 H30B 0.9900 . ?
C303 C304 1.39(6) . ?
C303 H30C 0.9900 . ?
C303 H30D 0.9900 . ?
C304 C305 1.57(7) . ?
C304 H30E 0.9900 . ?
C304 H30F 0.9900 . ?
C305 C306 1.67(7) . ?
C305 H30G 0.9900 . ?
C305 H30H 0.9900 . ?
C306 H30I 0.9900 . ?
C306 H30J 0.9900 . ?
C311 C312 1.47(4) . ?
C311 C316 1.59(4) . ?
C311 H311 1.0000 . ?
C312 C313 1.58(4) . ?
C312 H31A 0.9900 . ?
C312 H31B 0.9900 . ?
C313 C314 1.46(5) . ?
C313 H31C 0.9900 . ?
C313 H31D 0.9900 . ?
C314 C315 1.49(5) . ?
C314 H31E 0.9900 . ?
C314 H31F 0.9900 . ?
C315 C316 1.58(5) . ?
C315 H31G 0.9900 . ?
C315 H31H 0.9900 . ?
C316 H31I 0.9900 . ?
C316 H31J 0.9900 . ?
C321 C322 1.51(4) . ?
C321 C326 1.55(3) . ?
C321 H321 1.0000 . ?
C322 C323 1.51(5) . ?
C322 H32C 0.9900 . ?
C322 H32D 0.9900 . ?
C323 C324 1.58(5) . ?
C323 H32E 0.9900 . ?
C323 H32F 0.9900 . ?
C324 C325 1.46(5) . ?
C324 H32G 0.9900 . ?
C324 H32H 0.9900 . ?
C325 C326 1.53(5) . ?
C325 H32I 0.9900 . ?
C325 H32J 0.9900 . ?
C326 H32K 0.9900 . ?
C326 H32L 0.9900 . ?
C331 C332 1.58(4) . ?
C331 C336 1.59(5) . ?
C331 H331 1.0000 . ?
C332 C333 1.57(5) . ?
C332 H33C 0.9900 . ?
C332 H33D 0.9900 . ?
C333 C334 1.45(5) . ?
C333 H33E 0.9900 . ?
C333 H33F 0.9900 . ?
C334 C335 1.47(4) . ?
C334 H33G 0.9900 . ?
C334 H33H 0.9900 . ?
C335 C336 1.57(5) . ?
C335 H33I 0.9900 . ?
C335 H33J 0.9900 . ?
C336 H33K 0.9900 . ?
C336 H33L 0.9900 . ?
C341 C342 1.41(6) . ?
C341 C346 1.50(5) . ?
C341 H341 1.0000 . ?
C342 C343 1.56(6) . ?
C342 H34A 0.9900 . ?
C342 H34B 0.9900 . ?
C343 C344 1.48(6) . ?
C343 H34C 0.9900 . ?
C343 H34D 0.9900 . ?
C344 C345 1.53(5) . ?
C344 H34E 0.9900 . ?
C344 H34F 0.9900 . ?
C345 C346 1.59(5) . ?
C345 H34G 0.9900 . ?
C345 H34H 0.9900 . ?
C346 H34I 0.9900 . ?
C346 H34J 0.9900 . ?
C351 C356 1.48(4) . ?
C351 C352 1.52(4) . ?
C351 H351 1.0000 . ?
C352 C353 1.46(5) . ?
C352 H35C 0.9900 . ?
C352 H35D 0.9900 . ?
C353 C354 1.53(6) . ?
C353 H35E 0.9900 . ?
C353 H35F 0.9900 . ?
C354 C355 1.54(6) . ?
C354 H35G 0.9900 . ?
C354 H35H 0.9900 . ?
C355 C356 1.59(5) . ?
C355 H35I 0.9900 . ?
C355 H35J 0.9900 . ?
C356 H35K 0.9900 . ?
C356 H35L 0.9900 . ?
C361 C362 1.50(4) . ?
C361 C366 1.51(5) . ?
C361 H361 1.0000 . ?
C362 C363 1.60(5) . ?
C362 H36C 0.9900 . ?
C362 H36D 0.9900 . ?
C363 C364 1.50(6) . ?
C363 H36E 0.9900 . ?
C363 H36F 0.9900 . ?
C364 C365 1.54(6) . ?
C364 H36G 0.9900 . ?
C364 H36H 0.9900 . ?
C365 C366 1.55(5) . ?
C365 H36I 0.9900 . ?
C365 H36J 0.9900 . ?
C366 H36K 0.9900 . ?
C366 H36L 0.9900 . ?

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
Au6 Au1 Au13 116.89(7) . . ?
Au6 Au1 Au8 117.49(6) . . ?
Au13 Au1 Au8 62.86(6) . . ?
Au6 Au1 Au11 62.50(5) . . ?
Au13 Au1 Au11 117.80(7) . . ?
Au8 Au1 Au11 179.31(8) . . ?
Au6 Au1 Au9 179.94(8) . . ?
Au13 Au1 Au9 63.10(6) . . ?
Au8 Au1 Au9 62.45(5) . . ?
Au11 Au1 Au9 117.56(6) . . ?
Au6 Au1 Ag5 62.93(6) . . ?
Au13 Au1 Ag5 179.79(7) . . ?
Au8 Au1 Ag5 117.09(7) . . ?
Au11 Au1 Ag5 62.25(6) . . ?
Au9 Au1 Ag5 117.08(7) . . ?
Au6 Au1 Au10 115.54(6) . . ?
Au13 Au1 Au10 117.38(6) . . ?
Au8 Au1 Au10 116.52(7) . . ?
Au11 Au1 Au10 63.08(6) . . ?
Au9 Au1 Au10 64.50(5) . . ?
Ag5 Au1 Au10 62.83(5) . . ?
S1 Au2 Au1 160.69(18) . . ?
S1 Au2 Au7 118.3(2) . . ?
Au1 Au2 Au7 59.15(5) . . ?
S1 Au2 Au6 139.96(18) . . ?
Au1 Au2 Au6 57.97(5) . . ?
Au7 Au2 Au6 61.11(6) . . ?
S1 Au2 Au4 109.6(2) . . ?
Au1 Au2 Au4 58.33(5) . . ?
Au7 Au2 Au4 108.47(7) . . ?
Au6 Au2 Au4 107.57(7) . . ?
S1 Au2 Au8 103.57(18) . . ?
Au1 Au2 Au8 57.74(5) . . ?
Au7 Au2 Au8 60.17(6) . . ?
Au6 Au2 Au8 107.78(8) . . ?
Au4 Au2 Au8 59.26(6) . . ?
S1 Au2 Ag5 132.1(2) . . ?
Au1 Au2 Ag5 58.05(5) . . ?
Au7 Au2 Ag5 108.73(7) . . ?
Au6 Au2 Ag5 59.24(6) . . ?
Au4 Au2 Ag5 60.13(5) . . ?
Au8 Au2 Ag5 107.13(6) . . ?
S1 Au2 Au20 87.53(17) . . ?
Au1 Au2 Au20 110.84(6) . . ?
Au7 Au2 Au20 117.96(7) . . ?
Au6 Au2 Au20 64.05(6) . . ?
Au4 Au2 Au20 113.74(7) . . ?
Au8 Au2 Au20 168.27(7) . . ?
Ag5 Au2 Au20 61.77(5) . . ?
S4 Au3 Au1 160.2(2) . . ?
S4 Au3 Au10 115.9(2) . . ?
Au1 Au3 Au10 58.28(5) . . ?
S4 Au3 Au9 138.7(2) . . ?
Au1 Au3 Au9 57.96(5) . . ?
Au10 Au3 Au9 60.86(7) . . ?
S4 Au3 Au11 102.6(2) . . ?
Au1 Au3 Au11 57.73(5) . . ?
Au10 Au3 Au11 59.41(6) . . ?
Au9 Au3 Au11 107.58(8) . . ?
S4 Au3 Au12 112.3(2) . . ?
Au1 Au3 Au12 57.99(5) . . ?
Au10 Au3 Au12 107.68(7) . . ?
Au9 Au3 Au12 107.00(7) . . ?
Au11 Au3 Au12 59.97(6) . . ?
S4 Au3 Au13 135.9(2) . . ?
Au1 Au3 Au13 57.31(5) . . ?
Au10 Au3 Au13 107.33(8) . . ?
Au9 Au3 Au13 58.86(6) . . ?
Au11 Au3 Au13 106.76(7) . . ?
Au12 Au3 Au13 59.38(6) . . ?
S7 Au4 Au1 159.07(16) . . ?
S7 Au4 Au8 141.75(17) . . ?
Au1 Au4 Au8 58.11(6) . . ?
S7 Au4 Au2 120.03(17) . . ?
Au1 Au4 Au2 58.15(5) . . ?
Au8 Au4 Au2 60.47(6) . . ?
S7 Au4 Au9 131.93(17) . . ?
Au1 Au4 Au9 58.02(5) . . ?
Au8 Au4 Au9 58.97(6) . . ?
Au2 Au4 Au9 107.50(8) . . ?
S7 Au4 Ag5 102.04(16) . . ?
Au1 Au4 Ag5 58.00(5) . . ?
Au8 Au4 Ag5 108.09(8) . . ?
Au2 Au4 Ag5 60.14(6) . . ?
Au9 Au4 Ag5 107.54(8) . . ?
S7 Au4 Au10 107.97(17) . . ?
Au1 Au4 Au10 57.98(5) . . ?
Au8 Au4 Au10 107.55(8) . . ?
Au2 Au4 Au10 107.35(7) . . ?
Au9 Au4 Au10 60.59(6) . . ?
Ag5 Au4 Au10 59.01(5) . . ?
S7 Au4 Au15 88.02(16) . . ?
Au1 Au4 Au15 111.60(7) . . ?
Au8 Au4 Au15 64.28(6) . . ?
Au2 Au4 Au15 117.64(7) . . ?
Au9 Au4 Au15 62.53(6) . . ?
Ag5 Au4 Au15 169.40(8) . . ?
Au10 Au4 Au15 114.92(6) . . ?
S6 Au6 Au1 147.34(18) . . ?
S6 Au6 Au11 108.66(18) . . ?
Au1 Au6 Au11 58.91(5) . . ?
S6 Au6 Ag5 145.2(2) . . ?
Au1 Au6 Ag5 58.91(5) . . ?
Au11 Au6 Ag5 59.75(6) . . ?
S6 Au6 Au2 142.46(18) . . ?
Au1 Au6 Au2 58.72(5) . . ?
Au11 Au6 Au2 108.86(8) . . ?
Ag5 Au6 Au2 60.98(6) . . ?
S6 Au6 Ag21 73.10(18) . . ?
Au1 Au6 Ag21 114.82(8) . . ?
Au11 Au6 Ag21 171.20(9) . . ?
Ag5 Au6 Ag21 123.78(9) . . ?
Au2 Au6 Ag21 69.62(7) . . ?
S6 Au6 Au12 88.68(18) . . ?
Au1 Au6 Au12 58.69(5) . . ?
Au11 Au6 Au12 61.16(6) . . ?
Ag5 Au6 Au12 108.93(7) . . ?
Au2 Au6 Au12 108.31(7) . . ?
Ag21 Au6 Au12 110.65(8) . . ?
S6 Au6 Au7 106.0(2) . . ?
Au1 Au6 Au7 58.77(5) . . ?
Au11 Au6 Au7 109.51(7) . . ?
Ag5 Au6 Au7 108.76(7) . . ?
Au2 Au6 Au7 59.41(6) . . ?
Ag21 Au6 Au7 62.02(6) . . ?
Au12 Au6 Au7 60.52(6) . . ?
S12 Au7 Au1 158.83(18) . . ?
S12 Au7 Au2 102.30(18) . . ?
Au1 Au7 Au2 58.22(5) . . ?
S12 Au7 Au13 143.13(18) . . ?
Au1 Au7 Au13 57.54(5) . . ?
Au2 Au7 Au13 107.45(7) . . ?
S12 Au7 Au8 122.87(19) . . ?
Au1 Au7 Au8 57.55(5) . . ?
Au2 Au7 Au8 60.44(6) . . ?
Au13 Au7 Au8 58.99(6) . . ?
S12 Au7 Au6 107.36(17) . . ?
Au1 Au7 Au6 57.13(5) . . ?
Au2 Au7 Au6 59.48(6) . . ?
Au13 Au7 Au6 106.30(7) . . ?
Au8 Au7 Au6 106.74(8) . . ?
S12 Au7 Au12 130.10(19) . . ?
Au1 Au7 Au12 57.65(5) . . ?
Au2 Au7 Au12 107.20(7) . . ?
Au13 Au7 Au12 59.66(6) . . ?
Au8 Au7 Au12 106.66(7) . . ?
Au6 Au7 Au12 59.06(6) . . ?
S13 Au8 Au1 147.94(18) . . ?
S13 Au8 Au9 146.71(16) . . ?
Au1 Au8 Au9 59.03(5) . . ?
S13 Au8 Au13 111.00(19) . . ?
Au1 Au8 Au13 58.50(6) . . ?
Au9 Au8 Au13 60.49(7) . . ?
S13 Au8 Au4 139.76(19) . . ?
Au1 Au8 Au4 58.88(5) . . ?
Au9 Au8 Au4 61.14(6) . . ?
Au13 Au8 Au4 109.15(7) . . ?
S13 Au8 Au7 89.10(18) . . ?
Au1 Au8 Au7 59.05(5) . . ?
Au9 Au8 Au7 109.39(8) . . ?
Au13 Au8 Au7 60.40(6) . . ?
Au4 Au8 Au7 108.67(7) . . ?
S13 Au8 Au2 104.17(16) . . ?
Au1 Au8 Au2 58.32(5) . . ?
Au9 Au8 Au2 109.06(7) . . ?
Au13 Au8 Au2 107.74(8) . . ?
Au4 Au8 Au2 60.27(6) . . ?
Au7 Au8 Au2 59.39(6) . . ?
S3 Au9 Au1 149.94(19) . . ?
S3 Au9 Au8 110.50(17) . . ?
Au1 Au9 Au8 58.53(5) . . ?
S3 Au9 Au13 144.86(18) . . ?
Au1 Au9 Au13 58.14(5) . . ?
Au8 Au9 Au13 59.88(7) . . ?
S3 Au9 Ag24 74.32(16) . . ?
Au1 Au9 Ag24 113.59(8) . . ?
Au8 Au9 Ag24 171.27(9) . . ?
Au13 Au9 Ag24 120.54(9) . . ?
S3 Au9 Au4 91.73(18) . . ?
Au1 Au9 Au4 58.29(5) . . ?
Au8 Au9 Au4 59.89(6) . . ?
Au13 Au9 Au4 107.69(7) . . ?
Ag24 Au9 Au4 113.53(8) . . ?
S3 Au9 Au3 140.84(17) . . ?
Au1 Au9 Au3 58.30(5) . . ?
Au8 Au9 Au3 108.66(8) . . ?
Au13 Au9 Au3 60.89(7) . . ?
Ag24 Au9 Au3 66.82(7) . . ?
Au4 Au9 Au3 107.69(7) . . ?
S3 Au9 Au10 107.43(18) . . ?
Au1 Au9 Au10 57.80(5) . . ?
Au8 Au9 Au10 107.69(7) . . ?
Au13 Au9 Au10 107.65(8) . . ?
Ag24 Au9 Au10 63.62(6) . . ?
Au4 Au9 Au10 59.85(6) . . ?
Au3 Au9 Au10 59.23(6) . . ?
S16 Au10 Au1 156.95(19) . . ?
S16 Au10 Ag5 144.37(19) . . ?
Au1 Au10 Ag5 58.58(5) . . ?
S16 Au10 Au11 124.6(2) . . ?
Au1 Au10 Au11 58.25(5) . . ?
Ag5 Au10 Au11 59.26(6) . . ?
S16 Au10 Au3 101.33(19) . . ?
Au1 Au10 Au3 58.52(5) . . ?
Ag5 Au10 Au3 108.32(8) . . ?
Au11 Au10 Au3 60.67(7) . . ?
S16 Au10 Au4 127.6(2) . . ?
Au1 Au10 Au4 58.16(5) . . ?
Ag5 Au10 Au4 60.45(6) . . ?
Au11 Au10 Au4 107.62(7) . . ?
Au3 Au10 Au4 108.01(7) . . ?
S16 Au10 Au9 103.84(18) . . ?
Au1 Au10 Au9 57.70(5) . . ?
Ag5 Au10 Au9 107.87(7) . . ?
Au11 Au10 Au9 107.82(8) . . ?
Au3 Au10 Au9 59.92(7) . . ?
Au4 Au10 Au9 59.56(6) . . ?
S16 Au10 Au19 86.27(18) . . ?
Au1 Au10 Au19 111.60(6) . . ?
Ag5 Au10 Au19 63.62(5) . . ?
Au11 Au10 Au19 62.64(6) . . ?
Au3 Au10 Au19 115.10(8) . . ?
Au4 Au10 Au19 116.99(7) . . ?
Au9 Au10 Au19 169.27(7) . . ?
S9 Au11 Au1 152.08(19) . . ?
S9 Au11 Au6 143.25(18) . . ?
Au1 Au11 Au6 58.59(5) . . ?
S9 Au11 Ag5 111.03(19) . . ?
Au1 Au11 Ag5 59.08(6) . . ?
Au6 Au11 Ag5 60.54(6) . . ?
S9 Au11 Au10 93.48(19) . . ?
Au1 Au11 Au10 58.67(5) . . ?
Au6 Au11 Au10 108.61(8) . . ?
Ag5 Au11 Au10 60.31(6) . . ?
S9 Au11 Ag16 67.12(19) . . ?
Au1 Au11 Ag16 117.55(9) . . ?
Au6 Au11 Ag16 127.24(11) . . ?
Ag5 Au11 Ag16 169.87(9) . . ?
Au10 Au11 Ag16 109.59(8) . . ?
S9 Au11 Au3 107.99(17) . . ?
Au1 Au11 Au3 58.39(5) . . ?
Au6 Au11 Au3 108.47(8) . . ?
Ag5 Au11 Au3 108.56(8) . . ?
Au10 Au11 Au3 59.93(7) . . ?
Ag16 Au11 Au3 63.95(8) . . ?
S9 Au11 Au12 140.10(19) . . ?
Au1 Au11 Au12 58.25(6) . . ?
Au6 Au11 Au12 60.20(6) . . ?
Ag5 Au11 Au12 108.80(7) . . ?
Au10 Au11 Au12 108.22(8) . . ?
Ag16 Au11 Au12 74.08(9) . . ?
Au3 Au11 Au12 60.13(6) . . ?
S15 Au12 Au1 160.0(2) . . ?
S15 Au12 Au6 129.4(2) . . ?
Au1 Au12 Au6 57.86(5) . . ?
S15 Au12 Au13 104.0(2) . . ?
Au1 Au12 Au13 57.76(6) . . ?
Au6 Au12 Au13 107.29(8) . . ?
S15 Au12 Au11 141.9(2) . . ?
Au1 Au12 Au11 57.76(6) . . ?
Au6 Au12 Au11 58.63(6) . . ?
Au13 Au12 Au11 107.58(8) . . ?
S15 Au12 Au3 122.8(2) . . ?
Au1 Au12 Au3 58.15(6) . . ?
Au6 Au12 Au3 107.02(8) . . ?
Au13 Au12 Au3 60.50(6) . . ?
Au11 Au12 Au3 59.90(6) . . ?
S15 Au12 Au7 106.6(2) . . ?
Au1 Au12 Au7 58.48(5) . . ?
Au6 Au12 Au7 60.42(6) . . ?
Au13 Au12 Au7 59.56(6) . . ?
Au11 Au12 Au7 107.41(8) . . ?
Au3 Au12 Au7 108.29(8) . . ?
S18 Au13 Au1 146.97(17) . . ?
S18 Au13 Au8 149.59(19) . . ?
Au1 Au13 Au8 58.64(6) . . ?
S18 Au13 Au9 113.27(19) . . ?
Au1 Au13 Au9 58.76(6) . . ?
Au8 Au13 Au9 59.63(6) . . ?
S18 Au13 Ag23 68.5(2) . . ?
Au1 Au13 Ag23 115.05(8) . . ?
Au8 Au13 Ag23 123.17(8) . . ?
Au9 Au13 Ag23 171.77(10) . . ?
S18 Au13 Au7 137.7(2) . . ?
Au1 Au13 Au7 59.17(5) . . ?
Au8 Au13 Au7 60.61(6) . . ?
Au9 Au13 Au7 108.88(8) . . ?
Ag23 Au13 Au7 69.26(8) . . ?
S18 Au13 Au12 101.44(19) . . ?
Au1 Au13 Au12 58.55(6) . . ?
Au8 Au13 Au12 108.83(7) . . ?
Au9 Au13 Au12 108.70(8) . . ?
Ag23 Au13 Au12 63.23(7) . . ?
Au7 Au13 Au12 60.78(6) . . ?
S18 Au13 Au3 89.40(17) . . ?
Au1 Au13 Au3 58.25(5) . . ?
Au8 Au13 Au3 107.95(8) . . ?
Au9 Au13 Au3 60.24(7) . . ?
Ag23 Au13 Au3 112.31(9) . . ?
Au7 Au13 Au3 108.96(7) . . ?
Au12 Au13 Au3 60.12(6) . . ?
S2 Au15 S3 170.0(3) . . ?
S2 Au15 Au4 95.83(17) . . ?
S3 Au15 Au4 90.42(17) . . ?
S2 Au15 Au9 138.62(18) . . ?
S3 Au15 Au9 51.32(18) . . ?
Au4 Au15 Au9 56.02(5) . . ?
S2 Au15 Au8 85.64(18) . . ?
S3 Au15 Au8 104.39(19) . . ?
Au4 Au15 Au8 54.67(5) . . ?
Au9 Au15 Au8 53.84(5) . . ?
S5 Au17 S6 169.0(3) . . ?
S5 Au17 Au12 101.3(2) . . ?
S6 Au17 Au12 87.81(19) . . ?
S5 Au17 Au11 87.1(2) . . ?
S6 Au17 Au11 103.14(18) . . ?
Au12 Au17 Au11 56.66(6) . . ?
S5 Au17 Au6 140.6(2) . . ?
S6 Au17 Au6 50.08(17) . . ?
Au12 Au17 Au6 55.74(5) . . ?
Au11 Au17 Au6 53.80(5) . . ?
S8 Au19 S9 168.9(2) . . ?
S8 Au19 Au10 98.00(17) . . ?
S9 Au19 Au10 91.06(19) . . ?
S8 Au19 Au11 139.23(17) . . ?
S9 Au19 Au11 51.78(17) . . ?
Au10 Au19 Au11 55.63(6) . . ?
S8 Au19 Ag5 85.53(16) . . ?
S9 Au19 Ag5 105.02(17) . . ?
Au10 Au19 Ag5 55.14(5) . . ?
Au11 Au19 Ag5 54.27(5) . . ?
S11 Au20 S10 167.9(2) . . ?
S11 Au20 Au2 100.36(17) . . ?
S10 Au20 Au2 90.51(16) . . ?
S11 Au20 Ag5 137.44(18) . . ?
S10 Au20 Ag5 53.57(16) . . ?
Au2 Au20 Ag5 58.13(5) . . ?
S11 Au20 Au6 81.74(17) . . ?
S10 Au20 Au6 108.98(17) . . ?
Au2 Au20 Au6 56.48(5) . . ?
Ag5 Au20 Au6 55.69(5) . . ?
S14 Au22 S13 170.7(3) . . ?
S14 Au22 Au7 100.2(2) . . ?
S13 Au22 Au7 88.33(18) . . ?
S14 Au22 Au8 139.3(2) . . ?
S13 Au22 Au8 49.21(16) . . ?
Au7 Au22 Au8 56.06(5) . . ?
S14 Au22 Au13 86.6(2) . . ?
S13 Au22 Au13 101.38(17) . . ?
Au7 Au22 Au13 55.50(5) . . ?
Au8 Au22 Au13 52.94(5) . . ?
S17 Au25 S18 169.6(3) . . ?
S17 Au25 Au3 98.3(2) . . ?
S18 Au25 Au3 90.33(18) . . ?
S17 Au25 Au13 136.8(2) . . ?
S18 Au25 Au13 53.21(17) . . ?
Au3 Au25 Au13 57.87(5) . . ?
S17 Au25 Au9 81.9(2) . . ?
S18 Au25 Au9 107.86(17) . . ?
Au3 Au25 Au9 55.92(6) . . ?
Au13 Au25 Au9 54.95(6) . . ?
Ag30 Au26 Au30 0.0 2_567 2_567 ?
Ag30 Au26 Au30 180.0 2_567 . ?
Au30 Au26 Au30 180.00(9) 2_567 . ?
Ag30 Au26 Au28 63.99(5) 2_567 . ?
Au30 Au26 Au28 63.99(5) 2_567 . ?
Au30 Au26 Au28 116.01(5) . . ?
Ag30 Au26 Ag28 116.01(5) 2_567 2_567 ?
Au30 Au26 Ag28 116.01(5) 2_567 2_567 ?
Au30 Au26 Ag28 63.99(5) . 2_567 ?
Au28 Au26 Ag28 180.0 . 2_567 ?
Ag30 Au26 Au28 116.01(5) 2_567 2_567 ?
Au30 Au26 Au28 116.01(5) 2_567 2_567 ?
Au30 Au26 Au28 63.99(5) . 2_567 ?
Au28 Au26 Au28 180.00(3) . 2_567 ?
Ag28 Au26 Au28 0.0 2_567 2_567 ?
Ag30 Au26 Ag31 64.02(6) 2_567 2_567 ?
Au30 Au26 Ag31 64.02(6) 2_567 2_567 ?
Au30 Au26 Ag31 115.98(6) . 2_567 ?
Au28 Au26 Ag31 63.60(5) . 2_567 ?
Ag28 Au26 Ag31 116.40(5) 2_567 2_567 ?
Au28 Au26 Ag31 116.40(5) 2_567 2_567 ?
Ag30 Au26 Au31 64.02(6) 2_567 2_567 ?
Au30 Au26 Au31 64.02(6) 2_567 2_567 ?
Au30 Au26 Au31 115.98(6) . 2_567 ?
Au28 Au26 Au31 63.60(5) . 2_567 ?
Ag28 Au26 Au31 116.40(5) 2_567 2_567 ?
Au28 Au26 Au31 116.40(5) 2_567 2_567 ?
Ag31 Au26 Au31 0.0 2_567 2_567 ?
Ag30 Au26 Au31 115.98(6) 2_567 . ?
Au30 Au26 Au31 115.98(6) 2_567 . ?
Au30 Au26 Au31 64.02(6) . . ?
Au28 Au26 Au31 116.40(5) . . ?
Ag28 Au26 Au31 63.59(5) 2_567 . ?
Au28 Au26 Au31 63.59(5) 2_567 . ?
Ag31 Au26 Au31 180.0 2_567 . ?
Au31 Au26 Au31 180.00(9) 2_567 . ?
S19 Au27 Au26 150.7(2) . . ?
S19 Au27 Ag32 138.1(3) . 2_567 ?
Au26 Au27 Ag32 59.42(5) . 2_567 ?
S19 Au27 Au32 138.1(3) . 2_567 ?
Au26 Au27 Au32 59.42(5) . 2_567 ?
Ag32 Au27 Au32 0.0 2_567 2_567 ?
S19 Au27 Ag28 145.4(3) . 2_567 ?
Au26 Au27 Ag28 58.27(5) . 2_567 ?
Ag32 Au27 Ag28 61.63(7) 2_567 2_567 ?
Au32 Au27 Ag28 61.63(7) 2_567 2_567 ?
S19 Au27 Au28 145.4(3) . 2_567 ?
Au26 Au27 Au28 58.27(5) . 2_567 ?
Ag32 Au27 Au28 61.63(7) 2_567 2_567 ?
Au32 Au27 Au28 61.63(7) 2_567 2_567 ?
Ag28 Au27 Au28 0.0 2_567 2_567 ?
S19 Au27 Ag31 105.4(3) . 2_567 ?
Au26 Au27 Ag31 58.45(5) . 2_567 ?
Ag32 Au27 Ag31 60.90(7) 2_567 2_567 ?
Au32 Au27 Ag31 60.90(7) 2_567 2_567 ?
Ag28 Au27 Ag31 109.03(8) 2_567 2_567 ?
Au28 Au27 Ag31 109.03(8) 2_567 2_567 ?
S19 Au27 Au31 105.4(3) . 2_567 ?
Au26 Au27 Au31 58.45(5) . 2_567 ?
Ag32 Au27 Au31 60.90(7) 2_567 2_567 ?
Au32 Au27 Au31 60.90(7) 2_567 2_567 ?
Ag28 Au27 Au31 109.03(8) 2_567 2_567 ?
Au28 Au27 Au31 109.03(8) 2_567 2_567 ?
Ag31 Au27 Au31 0.0 2_567 2_567 ?
S19 Au27 Au29 93.0(2) . . ?
Au26 Au27 Au29 57.89(5) . . ?
Ag32 Au27 Au29 108.46(8) 2_567 . ?
Au32 Au27 Au29 108.46(8) 2_567 . ?
Ag28 Au27 Au29 107.14(7) 2_567 . ?
Au28 Au27 Au29 107.14(7) 2_567 . ?
Ag31 Au27 Au29 59.19(6) 2_567 . ?
Au31 Au27 Au29 59.19(6) 2_567 . ?
S19 Au27 Ag35 77.7(3) . . ?
Au26 Au27 Ag35 112.39(8) . . ?
Ag32 Au27 Ag35 125.62(8) 2_567 . ?
Au32 Au27 Ag35 125.62(8) 2_567 . ?
Ag28 Au27 Ag35 69.58(7) 2_567 . ?
Au28 Au27 Ag35 69.58(7) 2_567 . ?
Ag31 Au27 Ag35 166.10(10) 2_567 . ?
Au31 Au27 Ag35 166.10(10) 2_567 . ?
Au29 Au27 Ag35 107.46(9) . . ?
S19 Au27 Au30 113.3(3) . . ?
Au26 Au27 Au30 56.95(5) . . ?
Ag32 Au27 Au30 108.64(8) 2_567 . ?
Au32 Au27 Au30 108.64(8) 2_567 . ?
Ag28 Au27 Au30 59.77(6) 2_567 . ?
Au28 Au27 Au30 59.77(6) 2_567 . ?
Ag31 Au27 Au30 105.94(7) 2_567 . ?
Au31 Au27 Au30 105.94(7) 2_567 . ?
Au29 Au27 Au30 58.24(6) . . ?
Ag35 Au27 Au30 60.98(7) . . ?
S21 Au28 Au26 157.61(19) . . ?
S21 Au28 Ag27 142.8(2) . 2_567 ?
Au26 Au28 Ag27 59.06(5) . 2_567 ?
S21 Au28 Au27 142.8(2) . 2_567 ?
Au26 Au28 Au27 59.06(5) . 2_567 ?
Ag27 Au28 Au27 0.0 2_567 2_567 ?
S21 Au28 Ag31 100.74(19) . 2_567 ?
Au26 Au28 Ag31 58.41(4) . 2_567 ?
Ag27 Au28 Ag31 109.81(7) 2_567 2_567 ?
Au27 Au28 Ag31 109.81(7) 2_567 2_567 ?
S21 Au28 Au31 100.74(19) . 2_567 ?
Au26 Au28 Au31 58.41(4) . 2_567 ?
Ag27 Au28 Au31 109.81(7) 2_567 2_567 ?
Au27 Au28 Au31 109.81(7) 2_567 2_567 ?
Ag31 Au28 Au31 0.0 2_567 2_567 ?
S21 Au28 Ag30 121.6(3) . 2_567 ?
Au26 Au28 Ag30 57.84(5) . 2_567 ?
Ag27 Au28 Ag30 61.66(6) 2_567 2_567 ?
Au27 Au28 Ag30 61.66(6) 2_567 2_567 ?
Ag31 Au28 Ag30 60.23(6) 2_567 2_567 ?
Au31 Au28 Ag30 60.23(6) 2_567 2_567 ?
S21 Au28 Au30 121.6(3) . 2_567 ?
Au26 Au28 Au30 57.84(5) . 2_567 ?
Ag27 Au28 Au30 61.66(6) 2_567 2_567 ?
Au27 Au28 Au30 61.66(6) 2_567 2_567 ?
Ag31 Au28 Au30 60.23(6) 2_567 2_567 ?
Au31 Au28 Au30 60.23(6) 2_567 2_567 ?
Ag30 Au28 Au30 0.0 2_567 2_567 ?
S21 Au28 Au32 130.6(2) . . ?
Au26 Au28 Au32 58.46(5) . . ?
Ag27 Au28 Au32 58.19(7) 2_567 . ?
Au27 Au28 Au32 58.19(7) 2_567 . ?
Ag31 Au28 Au32 108.41(7) 2_567 . ?
Au31 Au28 Au32 108.41(7) 2_567 . ?
Ag30 Au28 Au32 107.43(7) 2_567 . ?
Au30 Au28 Au32 107.43(7) 2_567 . ?
S21 Au28 Au29 105.5(2) . . ?
Au26 Au28 Au29 58.22(5) . . ?
Ag27 Au28 Au29 108.11(7) 2_567 . ?
Au27 Au28 Au29 108.11(7) 2_567 . ?
Ag31 Au28 Au29 59.03(7) 2_567 . ?
Au31 Au28 Au29 59.03(7) 2_567 . ?
Ag30 Au28 Au29 107.20(7) 2_567 . ?
Au30 Au28 Au29 107.20(7) 2_567 . ?
Au32 Au28 Au29 61.31(6) . . ?
S22 Au29 Au26 159.29(18) . . ?
S22 Au29 Au30 102.61(18) . . ?
Au26 Au29 Au30 58.09(5) . . ?
S22 Au29 Ag31 141.52(19) . 2_567 ?
Au26 Au29 Ag31 58.58(5) . 2_567 ?
Au30 Au29 Ag31 108.56(7) . 2_567 ?
S22 Au29 Au31 141.52(19) . 2_567 ?
Au26 Au29 Au31 58.58(5) . 2_567 ?
Au30 Au29 Au31 108.56(7) . 2_567 ?
Ag31 Au29 Au31 0.0 2_567 2_567 ?
S22 Au29 Au28 130.46(18) . . ?
Au26 Au29 Au28 57.62(5) . . ?
Au30 Au29 Au28 106.70(7) . . ?
Ag31 Au29 Au28 60.03(7) 2_567 . ?
Au31 Au29 Au28 60.03(7) 2_567 . ?
S22 Au29 Au27 122.06(19) . . ?
Au26 Au29 Au27 58.06(5) . . ?
Au30 Au29 Au27 61.30(6) . . ?
Ag31 Au29 Au27 59.41(7) 2_567 . ?
Au31 Au29 Au27 59.41(7) 2_567 . ?
Au28 Au29 Au27 106.99(8) . . ?
S22 Au29 Ag36 51.23(18) . . ?
Au26 Au29 Ag36 109.28(7) . . ?
Au30 Au29 Ag36 64.57(7) . . ?
Ag31 Au29 Ag36 166.66(8) 2_567 . ?
Au31 Au29 Ag36 166.66(8) 2_567 . ?
Au28 Au29 Ag36 109.75(8) . . ?
Au27 Au29 Ag36 120.81(8) . . ?
S22 Au29 Au32 107.74(19) . . ?
Au26 Au29 Au32 57.46(5) . . ?
Au30 Au29 Au32 59.06(6) . . ?
Ag31 Au29 Au32 107.41(8) 2_567 . ?
Au31 Au29 Au32 107.41(8) 2_567 . ?
Au28 Au29 Au32 59.05(6) . . ?
Au27 Au29 Au32 107.59(6) . . ?
Ag36 Au29 Au32 59.32(7) . . ?
S25 Au30 Au26 161.78(19) . . ?
S25 Au30 Au29 116.20(16) . . ?
Au26 Au30 Au29 59.06(5) . . ?
S25 Au30 Au32 137.02(19) . . ?
Au26 Au30 Au32 58.90(6) . . ?
Au29 Au30 Au32 62.32(6) . . ?
S25 Au30 Ag28 112.29(17) . 2_567 ?
Au26 Au30 Ag28 58.18(5) . 2_567 ?
Au29 Au30 Ag28 107.96(8) . 2_567 ?
Au32 Au30 Ag28 108.00(8) . 2_567 ?
S25 Au30 Au28 112.29(17) . 2_567 ?
Au26 Au30 Au28 58.18(5) . 2_567 ?
Au29 Au30 Au28 107.96(8) . 2_567 ?
Au32 Au30 Au28 108.00(8) . 2_567 ?
Ag28 Au30 Au28 0.0 2_567 2_567 ?
S25 Au30 Au31 133.23(17) . . ?
Au26 Au30 Au31 58.37(5) . . ?
Au29 Au30 Au31 109.42(8) . . ?
Au32 Au30 Au31 59.66(6) . . ?
Ag28 Au30 Au31 59.82(6) 2_567 . ?
Au28 Au30 Au31 59.82(6) 2_567 . ?
S25 Au30 Au27 103.88(19) . . ?
Au26 Au30 Au27 58.04(6) . . ?
Au29 Au30 Au27 60.46(6) . . ?
Au32 Au30 Au27 109.46(8) . . ?
Ag28 Au30 Au27 58.57(6) 2_567 . ?
Au28 Au30 Au27 58.57(6) 2_567 . ?
Au31 Au30 Au27 107.02(9) . . ?
S24 Au31 Au26 151.29(18) . . ?
S24 Au31 Ag29 141.31(17) . 2_567 ?
Au26 Au31 Ag29 58.78(5) . 2_567 ?
S24 Au31 Au29 141.31(17) . 2_567 ?
Au26 Au31 Au29 58.78(5) . 2_567 ?
Ag29 Au31 Au29 0.0 2_567 2_567 ?
S24 Au31 Ag27 141.94(18) . 2_567 ?
Au26 Au31 Ag27 58.82(5) . 2_567 ?
Ag29 Au31 Ag27 61.40(7) 2_567 2_567 ?
Au29 Au31 Ag27 61.40(7) 2_567 2_567 ?
S24 Au31 Au27 141.94(18) . 2_567 ?
Au26 Au31 Au27 58.82(5) . 2_567 ?
Ag29 Au31 Au27 61.40(7) 2_567 2_567 ?
Au29 Au31 Au27 61.40(7) 2_567 2_567 ?
Ag27 Au31 Au27 0.0 2_567 2_567 ?
S24 Au31 Au32 110.32(18) . . ?
Au26 Au31 Au32 58.66(5) . . ?
Ag29 Au31 Au32 108.23(8) 2_567 . ?
Au29 Au31 Au32 108.23(8) 2_567 . ?
Ag27 Au31 Au32 58.38(7) 2_567 . ?
Au27 Au31 Au32 58.38(7) 2_567 . ?
S24 Au31 Ag28 108.78(18) . 2_567 ?
Au26 Au31 Ag28 57.99(5) . 2_567 ?
Ag29 Au31 Ag28 60.94(7) 2_567 2_567 ?
Au29 Au31 Ag28 60.94(7) 2_567 2_567 ?
Ag27 Au31 Ag28 109.25(8) 2_567 2_567 ?
Au27 Au31 Ag28 109.25(8) 2_567 2_567 ?
Au32 Au31 Ag28 108.09(7) . 2_567 ?
S24 Au31 Au28 108.78(18) . 2_567 ?
Au26 Au31 Au28 57.99(5) . 2_567 ?
Ag29 Au31 Au28 60.94(7) 2_567 2_567 ?
Au29 Au31 Au28 60.94(7) 2_567 2_567 ?
Ag27 Au31 Au28 109.25(8) 2_567 2_567 ?
Au27 Au31 Au28 109.25(8) 2_567 2_567 ?
Au32 Au31 Au28 108.09(7) . 2_567 ?
Ag28 Au31 Au28 0.0 2_567 2_567 ?
S24 Au31 Au30 93.71(18) . . ?
Au26 Au31 Au30 57.61(5) . . ?
Ag29 Au31 Au30 108.50(8) 2_567 . ?
Au29 Au31 Au30 108.50(8) 2_567 . ?
Ag27 Au31 Au30 106.63(7) 2_567 . ?
Au27 Au31 Au30 106.63(7) 2_567 . ?
Au32 Au31 Au30 59.64(6) . . ?
Ag28 Au31 Au30 59.95(6) 2_567 . ?
Au28 Au31 Au30 59.95(6) 2_567 . ?
S26 Au32 Au26 151.1(2) . . ?
S26 Au32 Ag27 104.8(2) . 2_567 ?
Au26 Au32 Ag27 59.58(6) . 2_567 ?
S26 Au32 Au27 104.8(2) . 2_567 ?
Au26 Au32 Au27 59.58(6) . 2_567 ?
Ag27 Au32 Au27 0.0 2_567 2_567 ?
S26 Au32 Au30 145.6(2) . . ?
Au26 Au32 Au30 57.92(5) . . ?
Ag27 Au32 Au30 109.34(8) 2_567 . ?
Au27 Au32 Au30 109.34(8) 2_567 . ?
S26 Au32 Au31 138.71(19) . . ?
Au26 Au32 Au31 58.44(5) . . ?
Ag27 Au32 Au31 60.72(7) 2_567 . ?
Au27 Au32 Au31 60.72(7) 2_567 . ?
Au30 Au32 Au31 60.70(6) . . ?
S26 Au32 Au28 93.57(19) . . ?
Au26 Au32 Au28 57.83(5) . . ?
Ag27 Au32 Au28 60.19(7) 2_567 . ?
Au27 Au32 Au28 60.19(7) 2_567 . ?
Au30 Au32 Au28 106.83(8) . . ?
Au31 Au32 Au28 107.78(8) . . ?
S26 Au32 Ag36 82.4(2) . . ?
Au26 Au32 Ag36 109.90(7) . . ?
Ag27 Au32 Ag36 168.38(9) 2_567 . ?
Au27 Au32 Ag36 168.38(9) 2_567 . ?
Au30 Au32 Ag36 64.69(7) . . ?
Au31 Au32 Ag36 119.59(9) . . ?
Au28 Au32 Ag36 110.88(8) . . ?
S26 Au32 Au29 113.98(18) . . ?
Au26 Au32 Au29 57.44(5) . . ?
Ag27 Au32 Au29 108.38(8) 2_567 . ?
Au27 Au32 Au29 108.38(8) 2_567 . ?
Au30 Au32 Au29 58.62(6) . . ?
Au31 Au32 Au29 107.31(7) . . ?
Au28 Au32 Au29 59.65(6) . . ?
Ag36 Au32 Au29 60.05(7) . . ?
S20 Au34 S19 164.2(3) . . ?
S20 Au34 Au29 103.2(2) . . ?
S19 Au34 Au29 92.3(2) . . ?
S20 Au34 Ag31 90.3(2) . 2_567 ?
S19 Au34 Ag31 101.1(2) . 2_567 ?
Au29 Au34 Ag31 56.16(6) . 2_567 ?
S20 Au34 Au31 90.3(2) . 2_567 ?
S19 Au34 Au31 101.1(2) . 2_567 ?
Au29 Au34 Au31 56.16(6) . 2_567 ?
Ag31 Au34 Au31 0.0 2_567 2_567 ?
S20 Au34 Au27 144.5(2) . . ?
S19 Au34 Au27 48.87(19) . . ?
Au29 Au34 Au27 56.24(5) . . ?
Ag31 Au34 Au27 54.47(6) 2_567 . ?
Au31 Au34 Au27 54.47(6) 2_567 . ?
S20 Au34 Ag33 44.1(2) . . ?
S19 Au34 Ag33 151.3(2) . . ?
Au29 Au34 Ag33 62.44(6) . . ?
Ag31 Au34 Ag33 54.48(6) 2_567 . ?
Au31 Au34 Ag33 54.48(6) 2_567 . ?
Au27 Au34 Ag33 102.96(7) . . ?
S24 Au37 S23 171.5(3) . . ?
S24 Au37 Au31 52.23(19) . . ?
S23 Au37 Au31 136.2(2) . . ?
S24 Au37 Au32 106.9(2) . . ?
S23 Au37 Au32 81.4(2) . . ?
Au31 Au37 Au32 55.49(5) . . ?
S24 Au37 Au30 91.38(19) . . ?
S23 Au37 Au30 94.88(19) . . ?
Au31 Au37 Au30 56.08(6) . . ?
Au32 Au37 Au30 55.03(5) . . ?
S26 Au38 S27 169.8(2) . . ?
S26 Au38 Au28 92.83(18) . . ?
S27 Au38 Au28 96.99(18) . . ?
S26 Au38 Ag27 98.94(17) . 2_567 ?
S27 Au38 Ag27 89.06(19) . 2_567 ?
Au28 Au38 Ag27 55.33(5) . 2_567 ?
S26 Au38 Au27 98.94(17) . 2_567 ?
S27 Au38 Au27 89.06(19) . 2_567 ?
Au28 Au38 Au27 55.33(5) . 2_567 ?
Ag27 Au38 Au27 0.0 2_567 2_567 ?
S26 Au38 Au32 49.25(16) . . ?
S27 Au38 Au32 140.20(19) . . ?
Au28 Au38 Au32 55.17(5) . . ?
Ag27 Au38 Au32 52.45(6) 2_567 . ?
Au27 Au38 Au32 52.45(6) 2_567 . ?
Au40 Au39 Ag40 180.0 . 2_566 ?
Au40 Au39 Au40 180.0 . 2_566 ?
Ag40 Au39 Au40 0.0 2_566 2_566 ?
Au40 Au39 Ag45 62.69(5) . 2_566 ?
Ag40 Au39 Ag45 117.31(5) 2_566 2_566 ?
Au40 Au39 Ag45 117.31(5) 2_566 2_566 ?
Au40 Au39 Au45 62.69(5) . 2_566 ?
Ag40 Au39 Au45 117.31(5) 2_566 2_566 ?
Au40 Au39 Au45 117.31(5) 2_566 2_566 ?
Ag45 Au39 Au45 0.0 2_566 2_566 ?
Au40 Au39 Au45 117.31(5) . . ?
Ag40 Au39 Au45 62.69(5) 2_566 . ?
Au40 Au39 Au45 62.69(5) 2_566 . ?
Ag45 Au39 Au45 180.0 2_566 . ?
Au45 Au39 Au45 180.0 2_566 . ?
Au40 Au39 Au44 117.21(6) . . ?
Ag40 Au39 Au44 62.78(6) 2_566 . ?
Au40 Au39 Au44 62.78(6) 2_566 . ?
Ag45 Au39 Au44 116.88(5) 2_566 . ?
Au45 Au39 Au44 116.88(5) 2_566 . ?
Au45 Au39 Au44 63.12(5) . . ?
Au40 Au39 Ag44 62.79(6) . 2_566 ?
Ag40 Au39 Ag44 117.22(6) 2_566 2_566 ?
Au40 Au39 Ag44 117.22(6) 2_566 2_566 ?
Ag45 Au39 Ag44 63.12(5) 2_566 2_566 ?
Au45 Au39 Ag44 63.12(5) 2_566 2_566 ?
Au45 Au39 Ag44 116.88(5) . 2_566 ?
Au44 Au39 Ag44 180.0 . 2_566 ?
Au40 Au39 Au44 62.79(6) . 2_566 ?
Ag40 Au39 Au44 117.22(6) 2_566 2_566 ?
Au40 Au39 Au44 117.22(6) 2_566 2_566 ?
Ag45 Au39 Au44 63.12(5) 2_566 2_566 ?
Au45 Au39 Au44 63.12(5) 2_566 2_566 ?
Au45 Au39 Au44 116.88(5) . 2_566 ?
Au44 Au39 Au44 180.0 . 2_566 ?
Ag44 Au39 Au44 0.0 2_566 2_566 ?
S28 Au40 Au39 148.78(16) . . ?
S28 Au40 Ag45 147.96(18) . 2_566 ?
Au39 Au40 Ag45 58.71(5) . 2_566 ?
S28 Au40 Au45 147.96(18) . 2_566 ?
Au39 Au40 Au45 58.71(5) . 2_566 ?
Ag45 Au40 Au45 0.0 2_566 2_566 ?
S28 Au40 Ag44 113.1(2) . 2_566 ?
Au39 Au40 Ag44 58.80(5) . 2_566 ?
Ag45 Au40 Ag44 60.45(7) 2_566 2_566 ?
Au45 Au40 Ag44 60.45(7) 2_566 2_566 ?
S28 Au40 Au44 113.1(2) . 2_566 ?
Au39 Au40 Au44 58.80(5) . 2_566 ?
Ag45 Au40 Au44 60.45(7) 2_566 2_566 ?
Au45 Au40 Au44 60.45(7) 2_566 2_566 ?
Ag44 Au40 Au44 0.0 2_566 2_566 ?
S28 Au40 Ag51 70.9(2) . 2_566 ?
Au39 Au40 Ag51 112.43(8) . 2_566 ?
Ag45 Au40 Ag51 121.62(9) 2_566 2_566 ?
Au45 Au40 Ag51 121.62(9) 2_566 2_566 ?
Ag44 Au40 Ag51 169.48(9) 2_566 2_566 ?
Au44 Au40 Ag51 169.48(9) 2_566 2_566 ?
S28 Au40 Ag41 137.4(2) . 2_566 ?
Au39 Au40 Ag41 58.80(5) . 2_566 ?
Ag45 Au40 Ag41 61.13(6) 2_566 2_566 ?
Au45 Au40 Ag41 61.13(6) 2_566 2_566 ?
Ag44 Au40 Ag41 109.39(8) 2_566 2_566 ?
Au44 Au40 Ag41 109.39(8) 2_566 2_566 ?
Ag51 Au40 Ag41 66.71(8) 2_566 2_566 ?
S28 Au40 Au41 137.4(2) . 2_566 ?
Au39 Au40 Au41 58.80(5) . 2_566 ?
Ag45 Au40 Au41 61.13(6) 2_566 2_566 ?
Au45 Au40 Au41 61.13(6) 2_566 2_566 ?
Ag44 Au40 Au41 109.39(8) 2_566 2_566 ?
Au44 Au40 Au41 109.39(8) 2_566 2_566 ?
Ag51 Au40 Au41 66.71(8) 2_566 2_566 ?
Ag41 Au40 Au41 0.0 2_566 2_566 ?
S28 Au40 Au43 90.60(16) . . ?
Au39 Au40 Au43 58.73(5) . . ?
Ag45 Au40 Au43 108.60(9) 2_566 . ?
Au45 Au40 Au43 108.60(9) 2_566 . ?
Ag44 Au40 Au43 59.99(6) 2_566 . ?
Au44 Au40 Au43 59.99(6) 2_566 . ?
Ag51 Au40 Au43 111.16(8) 2_566 . ?
Ag41 Au40 Au43 108.50(8) 2_566 . ?
Au41 Au40 Au43 108.50(8) 2_566 . ?
S30 Au41 Au39 156.8(2) . . ?
S30 Au41 Ag44 99.8(2) . 2_566 ?
Au39 Au41 Ag44 57.98(5) . 2_566 ?
S30 Au41 Au44 99.8(2) . 2_566 ?
Au39 Au41 Au44 57.98(5) . 2_566 ?
Ag44 Au41 Au44 0.0 2_566 2_566 ?
S30 Au41 Ag40 144.2(2) . 2_566 ?
Au39 Au41 Ag40 57.69(5) . 2_566 ?
Ag44 Au41 Ag40 107.81(7) 2_566 2_566 ?
Au44 Au41 Ag40 107.81(7) 2_566 2_566 ?
S30 Au41 Au40 144.2(2) . 2_566 ?
Au39 Au41 Au40 57.69(5) . 2_566 ?
Ag44 Au41 Au40 107.81(7) 2_566 2_566 ?
Au44 Au41 Au40 107.81(7) 2_566 2_566 ?
Ag40 Au41 Au40 0.0 2_566 2_566 ?
S30 Au41 Au43 106.3(2) . . ?
Au39 Au41 Au43 58.43(5) . . ?
Ag44 Au41 Au43 59.60(6) 2_566 . ?
Au44 Au41 Au43 59.60(6) 2_566 . ?
Ag40 Au41 Au43 107.23(8) 2_566 . ?
Au40 Au41 Au43 107.23(8) 2_566 . ?
S30 Au41 Ag42 119.0(2) . 2_566 ?
Au39 Au41 Ag42 58.25(5) . 2_566 ?
Ag44 Au41 Ag42 59.80(6) 2_566 2_566 ?
Au44 Au41 Ag42 59.80(6) 2_566 2_566 ?
Ag40 Au41 Ag42 60.90(6) 2_566 2_566 ?
Au40 Au41 Ag42 60.90(6) 2_566 2_566 ?
Au43 Au41 Ag42 107.86(8) . 2_566 ?
S30 Au41 Au42 119.0(2) . 2_566 ?
Au39 Au41 Au42 58.25(5) . 2_566 ?
Ag44 Au41 Au42 59.80(6) 2_566 2_566 ?
Au44 Au41 Au42 59.80(6) 2_566 2_566 ?
Ag40 Au41 Au42 60.90(6) 2_566 2_566 ?
Au40 Au41 Au42 60.90(6) 2_566 2_566 ?
Au43 Au41 Au42 107.86(8) . 2_566 ?
Ag42 Au41 Au42 0.0 2_566 2_566 ?
S30 Au41 Au45 133.4(2) . . ?
Au39 Au41 Au45 57.47(5) . . ?
Ag44 Au41 Au45 106.97(9) 2_566 . ?
Au44 Au41 Au45 106.97(9) 2_566 . ?
Ag40 Au41 Au45 58.60(6) 2_566 . ?
Au40 Au41 Au45 58.60(6) 2_566 . ?
Au43 Au41 Au45 59.96(6) . . ?
Ag42 Au41 Au45 107.41(7) 2_566 . ?
Au42 Au41 Au45 107.41(7) 2_566 . ?
S36 Au42 Au39 159.28(17) 2_566 . ?
S36 Au42 Au45 141.23(17) 2_566 . ?
Au39 Au42 Au45 58.13(5) . . ?
S36 Au42 Au44 132.28(19) 2_566 . ?
Au39 Au42 Au44 57.94(5) . . ?
Au45 Au42 Au44 59.77(6) . . ?
S36 Au42 Ag41 108.49(17) 2_566 2_566 ?
Au39 Au42 Ag41 58.19(5) . 2_566 ?
Au45 Au42 Ag41 107.70(8) . 2_566 ?
Au44 Au42 Ag41 59.72(6) . 2_566 ?
S36 Au42 Au41 108.49(17) 2_566 2_566 ?
Au39 Au42 Au41 58.19(5) . 2_566 ?
Au45 Au42 Au41 107.70(8) . 2_566 ?
Au44 Au42 Au41 59.72(6) . 2_566 ?
Ag41 Au42 Au41 0.0 2_566 2_566 ?
S36 Au42 Au43 119.26(18) 2_566 . ?
Au39 Au42 Au43 58.26(5) . . ?
Au45 Au42 Au43 60.46(6) . . ?
Au44 Au42 Au43 107.95(8) . . ?
Ag41 Au42 Au43 107.71(7) 2_566 . ?
Au41 Au42 Au43 107.71(7) 2_566 . ?
S36 Au42 Au40 103.01(18) 2_566 . ?
Au39 Au42 Au40 57.08(5) . . ?
Au45 Au42 Au40 107.12(8) . . ?
Au44 Au42 Au40 106.43(7) . . ?
Ag41 Au42 Au40 59.21(6) 2_566 . ?
Au41 Au42 Au40 59.21(6) 2_566 . ?
Au43 Au42 Au40 59.55(6) . . ?
S31 Au43 Au39 160.17(18) . . ?
S31 Au43 Ag44 140.4(2) . 2_566 ?
Au39 Au43 Ag44 58.01(5) . 2_566 ?
S31 Au43 Au44 140.4(2) . 2_566 ?
Au39 Au43 Au44 58.01(5) . 2_566 ?
Ag44 Au43 Au44 0.0 2_566 2_566 ?
S31 Au43 Au41 119.3(2) . . ?
Au39 Au43 Au41 58.19(5) . . ?
Ag44 Au43 Au41 59.89(6) 2_566 . ?
Au44 Au43 Au41 59.89(6) 2_566 . ?
S31 Au43 Au45 103.36(18) . . ?
Au39 Au43 Au45 57.46(4) . . ?
Ag44 Au43 Au45 107.36(7) 2_566 . ?
Au44 Au43 Au45 107.36(7) 2_566 . ?
Au41 Au43 Au45 60.17(6) . . ?
S31 Au43 Au40 133.1(2) . . ?
Au39 Au43 Au40 57.39(5) . . ?
Ag44 Au43 Au40 58.97(7) 2_566 . ?
Au44 Au43 Au40 58.97(7) 2_566 . ?
Au41 Au43 Au40 106.82(7) . . ?
Au45 Au43 Au40 106.59(7) . . ?
S31 Au43 Au42 109.4(2) . . ?
Au39 Au43 Au42 58.07(5) . . ?
Ag44 Au43 Au42 107.80(7) 2_566 . ?
Au44 Au43 Au42 107.80(7) 2_566 . ?
Au41 Au43 Au42 107.51(7) . . ?
Au45 Au43 Au42 58.74(6) . . ?
Au40 Au43 Au42 60.59(6) . . ?
S33 Au44 Au39 151.63(18) . . ?
S33 Au44 Ag40 144.03(19) . 2_566 ?
Au39 Au44 Ag40 58.41(6) . 2_566 ?
S33 Au44 Au40 144.03(19) . 2_566 ?
Au39 Au44 Au40 58.41(6) . 2_566 ?
Ag40 Au44 Au40 0.0 2_566 2_566 ?
S33 Au44 Au45 112.20(17) . . ?
Au39 Au44 Au45 58.30(5) . . ?
Ag40 Au44 Au45 59.63(7) 2_566 . ?
Au40 Au44 Au45 59.63(7) 2_566 . ?
S33 Au44 Ag43 138.98(18) . 2_566 ?
Au39 Au44 Ag43 58.98(5) . 2_566 ?
Ag40 Au44 Ag43 61.04(7) 2_566 2_566 ?
Au40 Au44 Ag43 61.04(7) 2_566 2_566 ?
Au45 Au44 Ag43 108.79(8) . 2_566 ?
S33 Au44 Au43 138.98(18) . 2_566 ?
Au39 Au44 Au43 58.98(5) . 2_566 ?
Ag40 Au44 Au43 61.04(7) 2_566 2_566 ?
Au40 Au44 Au43 61.04(7) 2_566 2_566 ?
Au45 Au44 Au43 108.79(8) . 2_566 ?
Ag43 Au44 Au43 0.0 2_566 2_566 ?
S33 Au44 Ag41 106.79(19) . 2_566 ?
Au39 Au44 Ag41 58.71(5) . 2_566 ?
Ag40 Au44 Ag41 108.94(8) 2_566 2_566 ?
Au40 Au44 Ag41 108.94(8) 2_566 2_566 ?
Au45 Au44 Ag41 108.13(7) . 2_566 ?
Ag43 Au44 Ag41 60.50(6) 2_566 2_566 ?
Au43 Au44 Ag41 60.50(6) 2_566 2_566 ?
S33 Au44 Au41 106.79(19) . 2_566 ?
Au39 Au44 Au41 58.71(5) . 2_566 ?
Ag40 Au44 Au41 108.94(8) 2_566 2_566 ?
Au40 Au44 Au41 108.94(8) 2_566 2_566 ?
Au45 Au44 Au41 108.13(7) . 2_566 ?
Ag43 Au44 Au41 60.50(6) 2_566 2_566 ?
Au43 Au44 Au41 60.50(6) 2_566 2_566 ?
Ag41 Au44 Au41 0.0 2_566 2_566 ?
S33 Au44 Au42 93.07(18) . . ?
Au39 Au44 Au42 58.72(5) . . ?
Ag40 Au44 Au42 107.89(8) 2_566 . ?
Au40 Au44 Au42 107.89(8) 2_566 . ?
Au45 Au44 Au42 59.55(6) . . ?
Ag43 Au44 Au42 109.12(7) 2_566 . ?
Au43 Au44 Au42 109.12(7) 2_566 . ?
Ag41 Au44 Au42 60.48(6) 2_566 . ?
Au41 Au44 Au42 60.48(6) 2_566 . ?
S34 Au45 Au39 148.4(2) . . ?
S34 Au45 Ag40 112.9(2) . 2_566 ?
Au39 Au45 Ag40 58.60(5) . 2_566 ?
S34 Au45 Au40 112.9(2) . 2_566 ?
Au39 Au45 Au40 58.60(5) . 2_566 ?
Ag40 Au45 Au40 0.0 2_566 2_566 ?
S34 Au45 Au42 138.01(19) . . ?
Au39 Au45 Au42 59.21(5) . . ?
Ag40 Au45 Au42 109.02(7) 2_566 . ?
Au40 Au45 Au42 109.02(7) 2_566 . ?
S34 Au45 Au44 148.0(2) . . ?
Au39 Au45 Au44 58.59(5) . . ?
Ag40 Au45 Au44 59.92(7) 2_566 . ?
Au40 Au45 Au44 59.92(7) 2_566 . ?
Au42 Au45 Au44 60.67(6) . . ?
S34 Au45 Au43 102.84(19) . . ?
Au39 Au45 Au43 58.71(5) . . ?
Ag40 Au45 Au43 108.49(7) 2_566 . ?
Au40 Au45 Au43 108.49(7) 2_566 . ?
Au42 Au45 Au43 60.80(6) . . ?
Au44 Au45 Au43 108.93(8) . . ?
S34 Au45 Ag49 69.08(19) . . ?
Au39 Au45 Ag49 114.88(8) . . ?
Ag40 Au45 Ag49 171.14(9) 2_566 . ?
Au40 Au45 Ag49 171.14(9) 2_566 . ?
Au42 Au45 Ag49 69.18(7) . . ?
Au44 Au45 Ag49 123.29(10) . . ?
Au43 Au45 Ag49 62.85(6) . . ?
S34 Au45 Au41 90.4(2) . . ?
Au39 Au45 Au41 58.46(5) . . ?
Ag40 Au45 Au41 60.27(6) 2_566 . ?
Au40 Au45 Au41 60.27(6) 2_566 . ?
Au42 Au45 Au41 108.92(8) . . ?
Au44 Au45 Au41 108.29(7) . . ?
Au43 Au45 Au41 59.87(6) . . ?
Ag49 Au45 Au41 111.62(8) . . ?
S29 Au46 S28 168.4(3) . . ?
S29 Au46 Au43 97.59(19) . . ?
S28 Au46 Au43 90.32(18) . . ?
S29 Au46 Au40 139.4(2) . . ?
S28 Au46 Au40 52.16(16) . . ?
Au43 Au46 Au40 57.03(5) . . ?
S29 Au46 Ag44 85.74(19) . 2_566 ?
S28 Au46 Ag44 105.79(16) . 2_566 ?
Au43 Au46 Ag44 54.94(5) . 2_566 ?
Au40 Au46 Ag44 54.08(6) . 2_566 ?
S29 Au46 Au44 85.74(19) . 2_566 ?
S28 Au46 Au44 105.79(16) . 2_566 ?
Au43 Au46 Au44 54.94(5) . 2_566 ?
Au40 Au46 Au44 54.08(6) . 2_566 ?
Ag44 Au46 Au44 0.0 2_566 2_566 ?
S32 Au48 S33 171.2(3) . . ?
S32 Au48 Au42 94.89(18) . . ?
S33 Au48 Au42 92.27(18) . . ?
S32 Au48 Au44 137.2(2) . . ?
S33 Au48 Au44 51.53(18) . . ?
Au42 Au48 Au44 56.59(5) . . ?
S32 Au48 Au45 83.7(2) . . ?
S33 Au48 Au45 104.70(19) . . ?
Au42 Au48 Au45 54.54(6) . . ?
Au44 Au48 Au45 54.20(5) . . ?
S35 Au50 S34 173.0(3) . . ?
S35 Au50 Au41 95.51(19) . . ?
S34 Au50 Au41 90.4(2) . . ?
S35 Au50 Au45 135.37(19) . . ?
S34 Au50 Au45 51.50(19) . . ?
Au41 Au50 Au45 56.86(6) . . ?
S35 Au50 Ag40 82.46(19) . 2_566 ?
S34 Au50 Ag40 104.15(19) . 2_566 ?
Au41 Au50 Ag40 54.92(5) . 2_566 ?
Au45 Au50 Ag40 53.25(5) . 2_566 ?
S35 Au50 Au40 82.46(19) . 2_566 ?
S34 Au50 Au40 104.15(19) . 2_566 ?
Au41 Au50 Au40 54.92(5) . 2_566 ?
Au45 Au50 Au40 53.25(5) . 2_566 ?
Ag40 Au50 Au40 0.0 2_566 2_566 ?
S10 Ag5 Au1 146.34(16) . . ?
S10 Ag5 Au11 148.93(17) . . ?
Au1 Ag5 Au11 58.66(6) . . ?
S10 Ag5 Au6 111.92(15) . . ?
Au1 Ag5 Au6 58.16(5) . . ?
Au11 Ag5 Au6 59.71(6) . . ?
S10 Ag5 Au10 139.82(16) . . ?
Au1 Ag5 Au10 58.59(5) . . ?
Au11 Ag5 Au10 60.43(6) . . ?
Au6 Ag5 Au10 108.05(8) . . ?
S10 Ag5 Ag18 67.80(15) . . ?
Au1 Ag5 Ag18 116.87(7) . . ?
Au11 Ag5 Ag18 125.26(8) . . ?
Au6 Ag5 Ag18 171.30(9) . . ?
Au10 Ag5 Ag18 72.07(7) . . ?
S10 Ag5 Au4 102.44(17) . . ?
Au1 Ag5 Au4 58.19(5) . . ?
Au11 Ag5 Au4 108.61(7) . . ?
Au6 Ag5 Au4 107.67(7) . . ?
Au10 Ag5 Au4 60.54(6) . . ?
Ag18 Ag5 Au4 64.52(6) . . ?
S10 Ag5 Au2 88.69(15) . . ?
Au1 Ag5 Au2 58.06(5) . . ?
Au11 Ag5 Au2 107.86(8) . . ?
Au6 Ag5 Au2 59.77(6) . . ?
Au10 Ag5 Au2 108.24(7) . . ?
Ag18 Ag5 Au2 111.69(8) . . ?
Au4 Ag5 Au2 59.73(5) . . ?
S2 Ag14 S1 165.9(3) . . ?
S2 Ag14 Au8 90.23(17) . . ?
S1 Ag14 Au8 103.9(2) . . ?
S2 Ag14 Au2 140.35(17) . . ?
S1 Ag14 Au2 51.31(17) . . ?
Au8 Ag14 Au2 58.29(6) . . ?
S2 Ag14 Au4 88.76(16) . . ?
S1 Ag14 Au4 98.59(17) . . ?
Au8 Ag14 Au4 54.57(6) . . ?
Au2 Ag14 Au4 54.22(5) . . ?
S5 Ag16 S4 162.2(3) . . ?
S5 Ag16 Au11 92.0(2) . . ?
S4 Ag16 Au11 104.5(2) . . ?
S5 Ag16 Au3 139.3(2) . . ?
S4 Ag16 Au3 51.15(18) . . ?
Au11 Ag16 Au3 58.55(7) . . ?
S7 Ag18 S8 164.5(2) . . ?
S7 Ag18 Ag5 104.27(18) . . ?
S8 Ag18 Ag5 90.49(18) . . ?
S7 Ag18 Au4 50.56(18) . . ?
S8 Ag18 Au4 139.9(2) . . ?
Ag5 Ag18 Au4 58.16(6) . . ?
S12 Ag21 S11 161.6(2) . . ?
S12 Ag21 Au6 111.58(15) . . ?
S11 Ag21 Au6 85.21(15) . . ?
S12 Ag21 Au7 53.45(14) . . ?
S11 Ag21 Au7 139.54(16) . . ?
Au6 Ag21 Au7 59.72(6) . . ?
S12 Ag21 Au2 93.53(17) . . ?
S11 Ag21 Au2 90.20(17) . . ?
Au6 Ag21 Au2 55.15(6) . . ?
Au7 Ag21 Au2 54.28(6) . . ?
S15 Ag23 S14 159.7(3) . . ?
S15 Ag23 Au13 106.7(3) . . ?
S14 Ag23 Au13 93.5(2) . . ?
S15 Ag23 Au12 52.6(2) . . ?
S14 Ag23 Au12 143.8(2) . . ?
Au13 Ag23 Au12 58.69(7) . . ?
S15 Ag23 Au7 98.6(2) . . ?
S14 Ag23 Au7 90.8(2) . . ?
Au13 Ag23 Au7 55.60(6) . . ?
Au12 Ag23 Au7 55.18(6) . . ?
S17 Ag24 S16 165.8(2) . . ?
S17 Ag24 Au9 87.27(19) . . ?
S16 Ag24 Au9 106.85(16) . . ?
S17 Ag24 Au10 141.22(19) . . ?
S16 Ag24 Au10 51.31(15) . . ?
Au9 Ag24 Au10 58.72(6) . . ?
S17 Ag24 Au3 92.3(2) . . ?
S16 Ag24 Au3 94.66(18) . . ?
Au9 Ag24 Au3 56.69(6) . . ?
Au10 Ag24 Au3 54.75(6) . . ?
S20 Ag33 S21 166.3(3) . . ?
S20 Ag33 Ag31 92.2(2) . 2_567 ?
S21 Ag33 Ag31 101.24(19) . 2_567 ?
S20 Ag33 Au31 92.2(2) . 2_567 ?
S21 Ag33 Au31 101.24(19) . 2_567 ?
Ag31 Ag33 Au31 0.0 2_567 2_567 ?
S20 Ag33 Au28 143.2(2) . . ?
S21 Ag33 Au28 49.95(15) . . ?
Ag31 Ag33 Au28 56.59(6) 2_567 . ?
Au31 Ag33 Au28 56.59(6) 2_567 . ?
S20 Ag33 Au29 93.4(2) . . ?
S21 Ag33 Au29 96.6(2) . . ?
Ag31 Ag33 Au29 54.13(6) 2_567 . ?
Au31 Ag33 Au29 54.13(6) 2_567 . ?
Au28 Ag33 Au29 53.75(6) . . ?
S20 Ag33 Au34 42.5(2) . . ?
S21 Ag33 Au34 149.69(19) . . ?
Ag31 Ag33 Au34 58.07(6) 2_567 . ?
Au31 Ag33 Au34 58.07(6) 2_567 . ?
Au28 Ag33 Au34 100.78(7) . . ?
Au29 Ag33 Au34 53.77(6) . . ?
S25 Ag35 S27 163.1(3) . 2_567 ?
S25 Ag35 Au27 104.93(19) . . ?
S27 Ag35 Au27 91.98(19) 2_567 . ?
S25 Ag35 Au30 52.05(19) . . ?
S27 Ag35 Au30 141.6(2) 2_567 . ?
Au27 Ag35 Au30 59.52(7) . . ?
S25 Ag35 Au28 100.59(19) . 2_567 ?
S27 Ag35 Au28 88.7(2) 2_567 2_567 ?
Au27 Ag35 Au28 53.93(6) . 2_567 ?
Au30 Ag35 Au28 54.36(6) . 2_567 ?
S25 Ag35 Ag28 100.59(19) . 2_567 ?
S27 Ag35 Ag28 88.7(2) 2_567 2_567 ?
Au27 Ag35 Ag28 53.93(6) . 2_567 ?
Au30 Ag35 Ag28 54.36(6) . 2_567 ?
Au28 Ag35 Ag28 0.00(8) 2_567 2_567 ?
S23 Ag36 S22 163.1(3) . . ?
S23 Ag36 Au32 84.7(2) . . ?
S22 Ag36 Au32 111.8(2) . . ?
S23 Ag36 Au29 142.5(2) . . ?
S22 Ag36 Au29 54.2(2) . . ?
Au32 Ag36 Au29 60.62(7) . . ?
S23 Ag36 Au30 94.14(18) . . ?
S22 Ag36 Au30 98.19(19) . . ?
Au32 Ag36 Au30 56.81(6) . . ?
Au29 Ag36 Au30 56.31(6) . . ?
S29 Ag47 S30 167.0(3) . . ?
S29 Ag47 Ag44 91.7(2) . 2_566 ?
S30 Ag47 Ag44 100.50(18) . 2_566 ?
S29 Ag47 Au44 91.7(2) . 2_566 ?
S30 Ag47 Au44 100.50(18) . 2_566 ?
Ag44 Ag47 Au44 0.0 2_566 2_566 ?
S29 Ag47 Au41 142.4(2) . . ?
S30 Ag47 Au41 50.43(18) . . ?
Ag44 Ag47 Au41 57.01(6) 2_566 . ?
Au44 Ag47 Au41 57.01(6) 2_566 . ?
S29 Ag47 Au43 91.7(2) . . ?
S30 Ag47 Au43 98.8(2) . . ?
Ag44 Ag47 Au43 55.66(6) 2_566 . ?
Au44 Ag47 Au43 55.66(6) 2_566 . ?
Au41 Ag47 Au43 54.50(6) . . ?
S32 Ag49 S31 167.2(3) . . ?
S32 Ag49 Au45 88.98(18) . . ?
S31 Ag49 Au45 103.79(18) . . ?
S32 Ag49 Au43 139.12(17) . . ?
S31 Ag49 Au43 51.17(15) . . ?
Au45 Ag49 Au43 58.51(6) . . ?
S32 Ag49 Au42 86.89(17) . . ?
S31 Ag49 Au42 99.38(16) . . ?
Au45 Ag49 Au42 54.63(6) . . ?
Au43 Ag49 Au42 54.93(6) . . ?
S35 Ag51 S36 162.8(3) . . ?
S35 Ag51 Ag40 89.8(2) . 2_566 ?
S36 Ag51 Ag40 106.8(2) . 2_566 ?
S35 Ag51 Au40 89.8(2) . 2_566 ?
S36 Ag51 Au40 106.8(2) . 2_566 ?
Ag40 Ag51 Au40 0.0 2_566 2_566 ?
S35 Ag51 Ag42 143.5(2) . 2_566 ?
S36 Ag51 Ag42 52.99(19) . 2_566 ?
Ag40 Ag51 Ag42 60.57(7) 2_566 2_566 ?
Au40 Ag51 Ag42 60.57(7) 2_566 2_566 ?
S35 Ag51 Au42 143.5(2) . 2_566 ?
S36 Ag51 Au42 52.99(19) . 2_566 ?
Ag40 Ag51 Au42 60.57(7) 2_566 2_566 ?
Au40 Ag51 Au42 60.57(7) 2_566 2_566 ?
Ag42 Ag51 Au42 0.0 2_566 2_566 ?
S35 Ag51 Au41 90.4(2) . . ?
S36 Ag51 Au41 102.36(19) . . ?
Ag40 Ag51 Au41 57.08(7) 2_566 . ?
Au40 Ag51 Au41 57.08(7) 2_566 . ?
Ag42 Ag51 Au41 56.60(6) 2_566 . ?
Au42 Ag51 Au41 56.60(6) 2_566 . ?
C11 S1 Ag14 103.7(12) . . ?
C11 S1 Au2 108.0(11) . . ?
Ag14 S1 Au2 78.08(18) . . ?
C21 S2 Au15 103.5(10) . . ?
C21 S2 Ag14 106.0(10) . . ?
Au15 S2 Ag14 99.4(3) . . ?
C31 S3 Au15 109.2(11) . . ?
C31 S3 Au9 117.2(11) . . ?
Au15 S3 Au9 81.5(2) . . ?
C41 S4 Ag16 101.0(11) . . ?
C41 S4 Au3 109.1(11) . . ?
Ag16 S4 Au3 78.7(2) . . ?
C51 S5 Au17 103.1(13) . . ?
C51 S5 Ag16 107.1(14) . . ?
Au17 S5 Ag16 97.0(3) . . ?
C61 S6 Au17 105.4(11) . . ?
C61 S6 Au6 117.2(12) . . ?
Au17 S6 Au6 83.0(2) . . ?
C71 S7 Ag18 104.8(9) . . ?
C71 S7 Au4 107.1(9) . . ?
Ag18 S7 Au4 80.5(2) . . ?
C81 S8 Au19 104.8(9) . . ?
C81 S8 Ag18 103.6(8) . . ?
Au19 S8 Ag18 98.6(3) . . ?
C91 S9 Au19 108.3(10) . . ?
C91 S9 Au11 110.5(9) . . ?
Au19 S9 Au11 79.7(2) . . ?
C100 S10 Au20 104.2(8) . . ?
C100 S10 Ag5 117.0(8) . . ?
Au20 S10 Ag5 77.8(2) . . ?
C111 S11 Au20 105.5(9) . . ?
C111 S11 Ag21 103.4(9) . . ?
Au20 S11 Ag21 97.8(2) . . ?
C121 S12 Ag21 99.0(9) . . ?
C121 S12 Au7 109.8(10) . . ?
Ag21 S12 Au7 76.0(2) . . ?
C131 S13 Au22 106.4(11) . . ?
C131 S13 Au8 112.6(9) . . ?
Au22 S13 Au8 83.1(2) . . ?
C141 S14 Au22 104.3(10) . . ?
C141 S14 Ag23 100.0(9) . . ?
Au22 S14 Ag23 95.1(3) . . ?
C151 S15 Ag23 103.9(11) . . ?
C151 S15 Au12 109.8(12) . . ?
Ag23 S15 Au12 77.2(3) . . ?
C161 S16 Ag24 100.4(10) . . ?
C161 S16 Au10 107.7(10) . . ?
Ag24 S16 Au10 79.5(2) . . ?
C171 S17 Au25 104.6(13) . . ?
C171 S17 Ag24 104.1(13) . . ?
Au25 S17 Ag24 97.4(3) . . ?
C181 S18 Au25 107.0(9) . . ?
C181 S18 Au13 117.3(9) . . ?
Au25 S18 Au13 78.3(3) . . ?
C191 S19 Au34 98.9(14) . . ?
C191 S19 Au27 121.0(15) . . ?
Au34 S19 Au27 84.0(3) . . ?
C201 S20 Au34 106.1(13) . . ?
C201 S20 Ag33 104.2(12) . . ?
Au34 S20 Ag33 93.4(3) . . ?
C211 S21 Ag33 105.4(11) . . ?
C211 S21 Au28 106.2(10) . . ?
Ag33 S21 Au28 82.4(2) . . ?
C221 S22 Ag36 99.6(10) . . ?
C221 S22 Au29 106.3(11) . . ?
Ag36 S22 Au29 74.56(19) . . ?
C231 S23 Au37 105.6(10) . . ?
C231 S23 Ag36 99.2(9) . . ?
Au37 S23 Ag36 98.3(3) . . ?
C241 S24 Au37 108.5(14) . . ?
C241 S24 Au31 112.5(14) . . ?
Au37 S24 Au31 79.6(2) . . ?
C251 S25 Ag35 103.8(9) . . ?
C251 S25 Au30 106.4(9) . . ?
Ag35 S25 Au30 77.1(3) . . ?
C261 S26 Au38 103.7(10) . . ?
C261 S26 Au32 117.4(9) . . ?
Au38 S26 Au32 85.0(2) . . ?
C271 S27 Au38 106.2(11) . . ?
C271 S27 Ag35 102.8(10) . 2_567 ?
Au38 S27 Ag35 97.1(3) . 2_567 ?
C281 S28 Au46 105.0(10) . . ?
C281 S28 Au40 117.4(9) . . ?
Au46 S28 Au40 79.7(2) . . ?
C291 S29 Au46 100.6(12) . . ?
C291 S29 Ag47 106.0(12) . . ?
Au46 S29 Ag47 96.8(3) . . ?
C301 S30 Ag47 113.5(19) . . ?
C301 S30 Au41 109.9(18) . . ?
Ag47 S30 Au41 80.9(3) . . ?
C311 S31 Ag49 106.7(10) . . ?
C311 S31 Au43 108.7(9) . . ?
Ag49 S31 Au43 78.26(19) . . ?
C321 S32 Au48 105.6(8) . . ?
C321 S32 Ag49 105.9(8) . . ?
Au48 S32 Ag49 101.1(3) . . ?
C331 S33 Au48 107.3(9) . . ?
C331 S33 Au44 109.3(10) . . ?
Au48 S33 Au44 80.3(2) . . ?
C341 S34 Au50 107.3(14) . . ?
C341 S34 Au45 114.6(13) . . ?
Au50 S34 Au45 80.7(2) . . ?
C351 S35 Au50 105.6(9) . . ?
C351 S35 Ag51 100.9(8) . . ?
Au50 S35 Ag51 98.7(3) . . ?
C361 S36 Ag51 105.3(10) . . ?
C361 S36 Ag42 111.9(10) . 2_566 ?
Ag51 S36 Ag42 75.7(2) . 2_566 ?
C361 S36 Au42 111.9(10) . 2_566 ?
Ag51 S36 Au42 75.7(2) . 2_566 ?
Ag42 S36 Au42 0.0 2_566 2_566 ?
C1A N1 C1D 106(3) . . ?
C1A N1 C1C 110(3) . . ?
C1D N1 C1C 117(3) . . ?
C1A N1 C1B 112(3) . . ?
C1D N1 C1B 109(3) . . ?
C1C N1 C1B 104(3) . . ?
N1 C1A C2A 118(3) . . ?
N1 C1A H1AA 107.8 . . ?
C2A C1A H1AA 107.8 . . ?
N1 C1A H1AB 107.8 . . ?
C2A C1A H1AB 107.8 . . ?
H1AA C1A H1AB 107.2 . . ?
C3A C2A C1A 114(4) . . ?
C3A C2A H2AA 108.9 . . ?
C1A C2A H2AA 108.9 . . ?
C3A C2A H2AB 108.9 . . ?
C1A C2A H2AB 108.9 . . ?
H2AA C2A H2AB 107.7 . . ?
C2A C3A C4A 110(3) . . ?
C2A C3A H3AA 109.6 . . ?
C4A C3A H3AA 109.6 . . ?
C2A C3A H3AB 109.6 . . ?
C4A C3A H3AB 109.6 . . ?
H3AA C3A H3AB 108.1 . . ?
C3A C4A C5A 115(3) . . ?
C3A C4A H4AA 108.4 . . ?
C5A C4A H4AA 108.4 . . ?
C3A C4A H4AB 108.4 . . ?
C5A C4A H4AB 108.4 . . ?
H4AA C4A H4AB 107.5 . . ?
C6A C5A C4A 113(3) . . ?
C6A C5A H5AA 108.9 . . ?
C4A C5A H5AA 108.9 . . ?
C6A C5A H5AB 108.9 . . ?
C4A C5A H5AB 108.9 . . ?
H5AA C5A H5AB 107.7 . . ?
C5A C6A C7A 110(3) . . ?
C5A C6A H6AA 109.6 . . ?
C7A C6A H6AA 109.6 . . ?
C5A C6A H6AB 109.6 . . ?
C7A C6A H6AB 109.6 . . ?
H6AA C6A H6AB 108.1 . . ?
C6A C7A C8A 107(4) . . ?
C6A C7A H7AA 110.4 . . ?
C8A C7A H7AA 110.4 . . ?
C6A C7A H7AB 110.4 . . ?
C8A C7A H7AB 110.4 . . ?
H7AA C7A H7AB 108.6 . . ?
C7A C8A H8AA 109.5 . . ?
C7A C8A H8AB 109.5 . . ?
H8AA C8A H8AB 109.5 . . ?
C7A C8A H8AC 109.5 . . ?
H8AA C8A H8AC 109.5 . . ?
H8AB C8A H8AC 109.5 . . ?
C2B C1B N1 118(3) . . ?
C2B C1B H1BA 107.9 . . ?
N1 C1B H1BA 107.9 . . ?
C2B C1B H1BB 107.9 . . ?
N1 C1B H1BB 107.9 . . ?
H1BA C1B H1BB 107.2 . . ?
C1B C2B C3B 109(3) . . ?
C1B C2B H2BA 109.9 . . ?
C3B C2B H2BA 109.9 . . ?
C1B C2B H2BB 109.9 . . ?
C3B C2B H2BB 109.9 . . ?
H2BA C2B H2BB 108.3 . . ?
C4B C3B C2B 112(3) . . ?
C4B C3B H3BA 109.2 . . ?
C2B C3B H3BA 109.2 . . ?
C4B C3B H3BB 109.2 . . ?
C2B C3B H3BB 109.2 . . ?
H3BA C3B H3BB 107.9 . . ?
C3B C4B C5B 115(3) . . ?
C3B C4B H4BA 108.6 . . ?
C5B C4B H4BA 108.6 . . ?
C3B C4B H4BB 108.6 . . ?
C5B C4B H4BB 108.6 . . ?
H4BA C4B H4BB 107.5 . . ?
C6B C5B C4B 114(3) . . ?
C6B C5B H5BA 108.8 . . ?
C4B C5B H5BA 108.8 . . ?
C6B C5B H5BB 108.8 . . ?
C4B C5B H5BB 108.8 . . ?
H5BA C5B H5BB 107.7 . . ?
C5B C6B C7B 114(4) . . ?
C5B C6B H6BA 108.7 . . ?
C7B C6B H6BA 108.7 . . ?
C5B C6B H6BB 108.7 . . ?
C7B C6B H6BB 108.7 . . ?
H6BA C6B H6BB 107.6 . . ?
C8B C7B C6B 112(5) . . ?
C8B C7B H7BA 109.2 . . ?
C6B C7B H7BA 109.2 . . ?
C8B C7B H7BB 109.2 . . ?
C6B C7B H7BB 109.2 . . ?
H7BA C7B H7BB 107.9 . . ?
C7B C8B H8BA 109.5 . . ?
C7B C8B H8BB 109.5 . . ?
H8BA C8B H8BB 109.5 . . ?
C7B C8B H8BC 109.5 . . ?
H8BA C8B H8BC 109.5 . . ?
H8BB C8B H8BC 109.5 . . ?
N1 C1C C2C 108(3) . . ?
N1 C1C H1CA 110.0 . . ?
C2C C1C H1CA 110.0 . . ?
N1 C1C H1CB 110.0 . . ?
C2C C1C H1CB 110.0 . . ?
H1CA C1C H1CB 108.4 . . ?
C3C C2C C1C 105(4) . . ?
C3C C2C H2CA 110.8 . . ?
C1C C2C H2CA 110.8 . . ?
C3C C2C H2CB 110.8 . . ?
C1C C2C H2CB 110.8 . . ?
H2CA C2C H2CB 108.9 . . ?
C2C C3C C4C 120(5) . . ?
C2C C3C H3CA 107.4 . . ?
C4C C3C H3CA 107.4 . . ?
C2C C3C H3CB 107.4 . . ?
C4C C3C H3CB 107.4 . . ?
H3CA C3C H3CB 106.9 . . ?
C5C C4C C3C 114(5) . . ?
C5C C4C H4CA 108.7 . . ?
C3C C4C H4CA 108.7 . . ?
C5C C4C H4CB 108.7 . . ?
C3C C4C H4CB 108.7 . . ?
H4CA C4C H4CB 107.6 . . ?
C4C C5C C6C 112(5) . . ?
C4C C5C H5CA 109.3 . . ?
C6C C5C H5CA 109.3 . . ?
C4C C5C H5CB 109.3 . . ?
C6C C5C H5CB 109.3 . . ?
H5CA C5C H5CB 107.9 . . ?
C7C C6C C5C 101(5) . . ?
C7C C6C H6CA 111.6 . . ?
C5C C6C H6CA 111.6 . . ?
C7C C6C H6CB 111.6 . . ?
C5C C6C H6CB 111.6 . . ?
H6CA C6C H6CB 109.4 . . ?
C8C C7C C6C 109(5) . . ?
C8C C7C H7CA 110.0 . . ?
C6C C7C H7CA 110.0 . . ?
C8C C7C H7CB 110.0 . . ?
C6C C7C H7CB 110.0 . . ?
H7CA C7C H7CB 108.4 . . ?
C7C C8C H8CA 109.5 . . ?
C7C C8C H8CB 109.5 . . ?
H8CA C8C H8CB 109.5 . . ?
C7C C8C H8CC 109.5 . . ?
H8CA C8C H8CC 109.5 . . ?
H8CB C8C H8CC 109.5 . . ?
C2D C1D N1 115(3) . . ?
C2D C1D H1DA 108.4 . . ?
N1 C1D H1DA 108.4 . . ?
C2D C1D H1DB 108.4 . . ?
N1 C1D H1DB 108.4 . . ?
H1DA C1D H1DB 107.5 . . ?
C3D C2D C1D 108(4) . . ?
C3D C2D H2DA 110.1 . . ?
C1D C2D H2DA 110.1 . . ?
C3D C2D H2DB 110.1 . . ?
C1D C2D H2DB 110.1 . . ?
H2DA C2D H2DB 108.4 . . ?
C2D C3D C4D 116(5) . . ?
C2D C3D H3DA 108.3 . . ?
C4D C3D H3DA 108.3 . . ?
C2D C3D H3DB 108.3 . . ?
C4D C3D H3DB 108.3 . . ?
H3DA C3D H3DB 107.4 . . ?
C3D C4D C5D 105(5) . . ?
C3D C4D H4DA 110.8 . . ?
C5D C4D H4DA 110.8 . . ?
C3D C4D H4DB 110.8 . . ?
C5D C4D H4DB 110.8 . . ?
H4DA C4D H4DB 108.9 . . ?
C6D C5D C4D 120(5) . . ?
C6D C5D H5DA 107.3 . . ?
C4D C5D H5DA 107.3 . . ?
C6D C5D H5DB 107.3 . . ?
C4D C5D H5DB 107.3 . . ?
H5DA C5D H5DB 106.9 . . ?
C7D C6D C5D 127(6) . . ?
C7D C6D H6DA 105.5 . . ?
C5D C6D H6DA 105.5 . . ?
C7D C6D H6DB 105.5 . . ?
C5D C6D H6DB 105.5 . . ?
H6DA C6D H6DB 106.0 . . ?
C6D C7D C8D 123(5) . . ?
C6D C7D H7DA 106.5 . . ?
C8D C7D H7DA 106.5 . . ?
C6D C7D H7DB 106.5 . . ?
C8D C7D H7DB 106.5 . . ?
H7DA C7D H7DB 106.5 . . ?
C7D C8D H8DA 109.5 . . ?
C7D C8D H8DB 109.5 . . ?
H8DA C8D H8DB 109.5 . . ?
C7D C8D H8DC 109.5 . . ?
H8DA C8D H8DC 109.5 . . ?
H8DB C8D H8DC 109.5 . . ?
C12 C11 C16 113(4) . . ?
C12 C11 S1 122(3) . . ?
C16 C11 S1 110(3) . . ?
C12 C11 H11 103.1 . . ?
C16 C11 H11 103.1 . . ?
S1 C11 H11 103.1 . . ?
C11 C12 C13 122(5) . . ?
C11 C12 H12A 106.9 . . ?
C13 C12 H12A 106.9 . . ?
C11 C12 H12B 106.9 . . ?
C13 C12 H12B 106.9 . . ?
H12A C12 H12B 106.7 . . ?
C14 C13 C12 114(5) . . ?
C14 C13 H13A 108.9 . . ?
C12 C13 H13A 108.9 . . ?
C14 C13 H13B 108.9 . . ?
C12 C13 H13B 108.9 . . ?
H13A C13 H13B 107.7 . . ?
C13 C14 C15 108(6) . . ?
C13 C14 H14A 110.1 . . ?
C15 C14 H14A 110.1 . . ?
C13 C14 H14B 110.1 . . ?
C15 C14 H14B 110.1 . . ?
H14A C14 H14B 108.4 . . ?
C14 C15 C16 112(7) . . ?
C14 C15 H15A 109.1 . . ?
C16 C15 H15A 109.1 . . ?
C14 C15 H15B 109.1 . . ?
C16 C15 H15B 109.1 . . ?
H15A C15 H15B 107.8 . . ?
C11 C16 C15 105(5) . . ?
C11 C16 H16A 110.8 . . ?
C15 C16 H16A 110.8 . . ?
C11 C16 H16B 110.8 . . ?
C15 C16 H16B 110.8 . . ?
H16A C16 H16B 108.8 . . ?
C26 C21 C22 109(3) . . ?
C26 C21 S2 113(2) . . ?
C22 C21 S2 110(2) . . ?
C26 C21 H21 108.2 . . ?
C22 C21 H21 108.2 . . ?
S2 C21 H21 108.2 . . ?
C23 C22 C21 111(3) . . ?
C23 C22 H22A 109.4 . . ?
C21 C22 H22A 109.4 . . ?
C23 C22 H22B 109.4 . . ?
C21 C22 H22B 109.4 . . ?
H22A C22 H22B 108.0 . . ?
C22 C23 C24 113(3) . . ?
C22 C23 H23A 109.1 . . ?
C24 C23 H23A 109.1 . . ?
C22 C23 H23B 109.1 . . ?
C24 C23 H23B 109.1 . . ?
H23A C23 H23B 107.8 . . ?
C23 C24 C25 106(3) . . ?
C23 C24 H24A 110.5 . . ?
C25 C24 H24A 110.5 . . ?
C23 C24 H24B 110.5 . . ?
C25 C24 H24B 110.5 . . ?
H24A C24 H24B 108.7 . . ?
C26 C25 C24 113(3) . . ?
C26 C25 H25A 109.0 . . ?
C24 C25 H25A 109.0 . . ?
C26 C25 H25B 109.0 . . ?
C24 C25 H25B 109.0 . . ?
H25A C25 H25B 107.8 . . ?
C25 C26 C21 111(3) . . ?
C25 C26 H26A 109.4 . . ?
C21 C26 H26A 109.4 . . ?
C25 C26 H26B 109.4 . . ?
C21 C26 H26B 109.4 . . ?
H26A C26 H26B 108.0 . . ?
C32 C31 C36 108(3) . . ?
C32 C31 S3 111(3) . . ?
C36 C31 S3 114(2) . . ?
C32 C31 H31 107.6 . . ?
C36 C31 H31 107.6 . . ?
S3 C31 H31 107.6 . . ?
C33 C32 C31 109(4) . . ?
C33 C32 H32A 109.9 . . ?
C31 C32 H32A 109.9 . . ?
C33 C32 H32B 109.9 . . ?
C31 C32 H32B 109.9 . . ?
H32A C32 H32B 108.3 . . ?
C34 C33 C32 112(4) . . ?
C34 C33 H33A 109.3 . . ?
C32 C33 H33A 109.3 . . ?
C34 C33 H33B 109.3 . . ?
C32 C33 H33B 109.3 . . ?
H33A C33 H33B 107.9 . . ?
C33 C34 C35 113(3) . . ?
C33 C34 H34X 108.9 . . ?
C35 C34 H34X 108.9 . . ?
C33 C34 H34Y 108.9 . . ?
C35 C34 H34Y 108.9 . . ?
H34X C34 H34Y 107.8 . . ?
C36 C35 C34 113(3) . . ?
C36 C35 H35A 109.1 . . ?
C34 C35 H35A 109.1 . . ?
C36 C35 H35B 109.1 . . ?
C34 C35 H35B 109.1 . . ?
H35A C35 H35B 107.8 . . ?
C35 C36 C31 111(3) . . ?
C35 C36 H36A 109.5 . . ?
C31 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
C31 C36 H36B 109.5 . . ?
H36A C36 H36B 108.0 . . ?
C46 C41 C42 115(4) . . ?
C46 C41 S4 114(2) . . ?
C42 C41 S4 113(3) . . ?
C46 C41 H41 104.1 . . ?
C42 C41 H41 104.1 . . ?
S4 C41 H41 104.1 . . ?
C41 C42 C43 105(6) . . ?
C41 C42 H42A 110.8 . . ?
C43 C42 H42A 110.8 . . ?
C41 C42 H42B 110.8 . . ?
C43 C42 H42B 110.8 . . ?
H42A C42 H42B 108.9 . . ?
C42 C43 C44 118(7) . . ?
C42 C43 H43A 107.8 . . ?
C44 C43 H43A 107.8 . . ?
C42 C43 H43B 107.8 . . ?
C44 C43 H43B 107.8 . . ?
H43A C43 H43B 107.1 . . ?
C45 C44 C43 103(6) . . ?
C45 C44 H44A 111.1 . . ?
C43 C44 H44A 111.1 . . ?
C45 C44 H44B 111.1 . . ?
C43 C44 H44B 111.1 . . ?
H44A C44 H44B 109.1 . . ?
C44 C45 C46 120(5) . . ?
C44 C45 H45A 107.2 . . ?
C46 C45 H45A 107.2 . . ?
C44 C45 H45B 107.2 . . ?
C46 C45 H45B 107.2 . . ?
H45A C45 H45B 106.9 . . ?
C45 C46 C41 109(3) . . ?
C45 C46 H46A 109.9 . . ?
C41 C46 H46A 109.9 . . ?
C45 C46 H46B 109.9 . . ?
C41 C46 H46B 109.9 . . ?
H46A C46 H46B 108.3 . . ?
C52 C51 C56 108(4) . . ?
C52 C51 S5 111(3) . . ?
C56 C51 S5 106(3) . . ?
C52 C51 H51 110.2 . . ?
C56 C51 H51 110.2 . . ?
S5 C51 H51 110.2 . . ?
C51 C52 C53 110(4) . . ?
C51 C52 H52A 109.6 . . ?
C53 C52 H52A 109.6 . . ?
C51 C52 H52B 109.6 . . ?
C53 C52 H52B 109.6 . . ?
H52A C52 H52B 108.1 . . ?
C52 C53 C54 108(4) . . ?
C52 C53 H53A 110.1 . . ?
C54 C53 H53A 110.1 . . ?
C52 C53 H53B 110.1 . . ?
C54 C53 H53B 110.1 . . ?
H53A C53 H53B 108.4 . . ?
C55 C54 C53 108(4) . . ?
C55 C54 H54A 110.1 . . ?
C53 C54 H54A 110.1 . . ?
C55 C54 H54B 110.1 . . ?
C53 C54 H54B 110.1 . . ?
H54A C54 H54B 108.4 . . ?
C56 C55 C54 105(4) . . ?
C56 C55 H55A 110.8 . . ?
C54 C55 H55A 110.8 . . ?
C56 C55 H55B 110.8 . . ?
C54 C55 H55B 110.8 . . ?
H55A C55 H55B 108.9 . . ?
C55 C56 C51 110(4) . . ?
C55 C56 H56A 109.7 . . ?
C51 C56 H56A 109.7 . . ?
C55 C56 H56B 109.7 . . ?
C51 C56 H56B 109.7 . . ?
H56A C56 H56B 108.2 . . ?
C62 C61 C66 111(3) . . ?
C62 C61 S6 113(3) . . ?
C66 C61 S6 111(2) . . ?
C62 C61 H61 107.1 . . ?
C66 C61 H61 107.1 . . ?
S6 C61 H61 107.1 . . ?
C61 C62 C63 113(4) . . ?
C61 C62 H62A 109.0 . . ?
C63 C62 H62A 109.0 . . ?
C61 C62 H62B 109.0 . . ?
C63 C62 H62B 109.0 . . ?
H62A C62 H62B 107.8 . . ?
C64 C63 C62 110(4) . . ?
C64 C63 H63A 109.6 . . ?
C62 C63 H63A 109.6 . . ?
C64 C63 H63B 109.6 . . ?
C62 C63 H63B 109.6 . . ?
H63A C63 H63B 108.1 . . ?
C63 C64 C65 109(4) . . ?
C63 C64 H64A 109.8 . . ?
C65 C64 H64A 109.8 . . ?
C63 C64 H64B 109.8 . . ?
C65 C64 H64B 109.8 . . ?
H64A C64 H64B 108.2 . . ?
C66 C65 C64 113(4) . . ?
C66 C65 H65A 109.1 . . ?
C64 C65 H65A 109.1 . . ?
C66 C65 H65B 109.1 . . ?
C64 C65 H65B 109.1 . . ?
H65A C65 H65B 107.8 . . ?
C65 C66 C61 113(3) . . ?
C65 C66 H66A 108.9 . . ?
C61 C66 H66A 108.9 . . ?
C65 C66 H66B 108.9 . . ?
C61 C66 H66B 108.9 . . ?
H66A C66 H66B 107.7 . . ?
C72 C71 C76 113(2) . . ?
C72 C71 S7 113.9(19) . . ?
C76 C71 S7 104.3(19) . . ?
C72 C71 H71 108.5 . . ?
C76 C71 H71 108.5 . . ?
S7 C71 H71 108.5 . . ?
C71 C72 C73 110(2) . . ?
C71 C72 H72A 109.7 . . ?
C73 C72 H72A 109.7 . . ?
C71 C72 H72B 109.7 . . ?
C73 C72 H72B 109.7 . . ?
H72A C72 H72B 108.2 . . ?
C72 C73 C74 113(3) . . ?
C72 C73 H73A 109.0 . . ?
C74 C73 H73A 109.0 . . ?
C72 C73 H73B 109.0 . . ?
C74 C73 H73B 109.0 . . ?
H73A C73 H73B 107.8 . . ?
C75 C74 C73 110(2) . . ?
C75 C74 H74A 109.8 . . ?
C73 C74 H74A 109.8 . . ?
C75 C74 H74B 109.8 . . ?
C73 C74 H74B 109.8 . . ?
H74A C74 H74B 108.2 . . ?
C74 C75 C76 111(3) . . ?
C74 C75 H75A 109.4 . . ?
C76 C75 H75A 109.4 . . ?
C74 C75 H75B 109.4 . . ?
C76 C75 H75B 109.4 . . ?
H75A C75 H75B 108.0 . . ?
C75 C76 C71 103(3) . . ?
C75 C76 H76A 111.2 . . ?
C71 C76 H76A 111.2 . . ?
C75 C76 H76B 111.2 . . ?
C71 C76 H76B 111.2 . . ?
H76A C76 H76B 109.1 . . ?
C86 C81 C82 110(2) . . ?
C86 C81 S8 111.4(19) . . ?
C82 C81 S8 108.2(18) . . ?
C86 C81 H81 108.9 . . ?
C82 C81 H81 108.9 . . ?
S8 C81 H81 108.9 . . ?
C83 C82 C81 107(2) . . ?
C83 C82 H82A 110.2 . . ?
C81 C82 H82A 110.2 . . ?
C83 C82 H82B 110.2 . . ?
C81 C82 H82B 110.2 . . ?
H82A C82 H82B 108.5 . . ?
C84 C83 C82 111(3) . . ?
C84 C83 H83A 109.3 . . ?
C82 C83 H83A 109.3 . . ?
C84 C83 H83B 109.3 . . ?
C82 C83 H83B 109.3 . . ?
H83A C83 H83B 108.0 . . ?
C83 C84 C85 111(3) . . ?
C83 C84 H84A 109.5 . . ?
C85 C84 H84A 109.5 . . ?
C83 C84 H84B 109.5 . . ?
C85 C84 H84B 109.5 . . ?
H84A C84 H84B 108.1 . . ?
C86 C85 C84 110(3) . . ?
C86 C85 H85A 109.6 . . ?
C84 C85 H85A 109.6 . . ?
C86 C85 H85B 109.6 . . ?
C84 C85 H85B 109.6 . . ?
H85A C85 H85B 108.1 . . ?
C81 C86 C85 113(3) . . ?
C81 C86 H86A 108.9 . . ?
C85 C86 H86A 108.9 . . ?
C81 C86 H86B 108.9 . . ?
C85 C86 H86B 108.9 . . ?
H86A C86 H86B 107.7 . . ?
C96 C91 C92 111(4) . . ?
C96 C91 S9 117(3) . . ?
C92 C91 S9 111(3) . . ?
C96 C91 H91 105.9 . . ?
C92 C91 H91 105.9 . . ?
S9 C91 H91 105.9 . . ?
C91 C92 C93 111(4) . . ?
C91 C92 H92A 109.5 . . ?
C93 C92 H92A 109.5 . . ?
C91 C92 H92B 109.5 . . ?
C93 C92 H92B 109.5 . . ?
H92A C92 H92B 108.1 . . ?
C94 C93 C92 108(4) . . ?
C94 C93 H93A 110.2 . . ?
C92 C93 H93A 110.2 . . ?
C94 C93 H93B 110.2 . . ?
C92 C93 H93B 110.2 . . ?
H93A C93 H93B 108.5 . . ?
C95 C94 C93 111(4) . . ?
C95 C94 H94A 109.4 . . ?
C93 C94 H94A 109.4 . . ?
C95 C94 H94B 109.4 . . ?
C93 C94 H94B 109.4 . . ?
H94A C94 H94B 108.0 . . ?
C94 C95 C96 109(4) . . ?
C94 C95 H95A 110.0 . . ?
C96 C95 H95A 110.0 . . ?
C94 C95 H95B 110.0 . . ?
C96 C95 H95B 110.0 . . ?
H95A C95 H95B 108.4 . . ?
C91 C96 C95 117(5) . . ?
C91 C96 H96A 108.1 . . ?
C95 C96 H96A 108.1 . . ?
C91 C96 H96B 108.1 . . ?
C95 C96 H96B 108.1 . . ?
H96A C96 H96B 107.3 . . ?
C101 C100 C106 110(2) . . ?
C101 C100 S10 113.1(18) . . ?
C106 C100 S10 108.0(16) . . ?
C101 C100 H100 108.7 . . ?
C106 C100 H100 108.7 . . ?
S10 C100 H100 108.7 . . ?
C100 C101 C103 105(3) . . ?
C100 C101 H10A 110.7 . . ?
C103 C101 H10A 110.7 . . ?
C100 C101 H10B 110.7 . . ?
C103 C101 H10B 110.7 . . ?
H10A C101 H10B 108.8 . . ?
C104 C103 C101 111(3) . . ?
C104 C103 H10C 109.4 . . ?
C101 C103 H10C 109.4 . . ?
C104 C103 H10D 109.4 . . ?
C101 C103 H10D 109.4 . . ?
H10C C103 H10D 108.0 . . ?
C103 C104 C105 115(3) . . ?
C103 C104 H10E 108.6 . . ?
C105 C104 H10E 108.6 . . ?
C103 C104 H10F 108.6 . . ?
C105 C104 H10F 108.6 . . ?
H10E C104 H10F 107.5 . . ?
C106 C105 C104 106(3) . . ?
C106 C105 H10G 110.6 . . ?
C104 C105 H10G 110.6 . . ?
C106 C105 H10H 110.6 . . ?
C104 C105 H10H 110.6 . . ?
H10G C105 H10H 108.7 . . ?
C105 C106 C100 113(2) . . ?
C105 C106 H10I 109.0 . . ?
C100 C106 H10I 109.0 . . ?
C105 C106 H10J 109.0 . . ?
C100 C106 H10J 109.0 . . ?
H10I C106 H10J 107.8 . . ?
C116 C111 C112 108(2) . . ?
C116 C111 S11 109(2) . . ?
C112 C111 S11 110(2) . . ?
C116 C111 H111 110.0 . . ?
C112 C111 H111 110.0 . . ?
S11 C111 H111 110.0 . . ?
C113 C112 C111 112(3) . . ?
C113 C112 H11A 109.3 . . ?
C111 C112 H11A 109.3 . . ?
C113 C112 H11B 109.3 . . ?
C111 C112 H11B 109.3 . . ?
H11A C112 H11B 108.0 . . ?
C114 C113 C112 112(3) . . ?
C114 C113 H11C 109.2 . . ?
C112 C113 H11C 109.2 . . ?
C114 C113 H11D 109.2 . . ?
C112 C113 H11D 109.2 . . ?
H11C C113 H11D 107.9 . . ?
C113 C114 C115 113(3) . . ?
C113 C114 H11E 109.1 . . ?
C115 C114 H11E 109.1 . . ?
C113 C114 H11F 109.1 . . ?
C115 C114 H11F 109.1 . . ?
H11E C114 H11F 107.8 . . ?
C116 C115 C114 110(3) . . ?
C116 C115 H11G 109.7 . . ?
C114 C115 H11G 109.7 . . ?
C116 C115 H11H 109.7 . . ?
C114 C115 H11H 109.7 . . ?
H11G C115 H11H 108.2 . . ?
C115 C116 C111 113(3) . . ?
C115 C116 H11I 109.0 . . ?
C111 C116 H11I 109.0 . . ?
C115 C116 H11J 109.0 . . ?
C111 C116 H11J 109.0 . . ?
H11I C116 H11J 107.8 . . ?
C126 C121 C122 112(2) . . ?
C126 C121 S12 114(2) . . ?
C122 C121 S12 109(2) . . ?
C126 C121 H121 107.3 . . ?
C122 C121 H121 107.3 . . ?
S12 C121 H121 107.3 . . ?
C121 C122 C123 107(2) . . ?
C121 C122 H12C 110.3 . . ?
C123 C122 H12C 110.3 . . ?
C121 C122 H12D 110.3 . . ?
C123 C122 H12D 110.3 . . ?
H12C C122 H12D 108.5 . . ?
C124 C123 C122 110(3) . . ?
C124 C123 H12E 109.7 . . ?
C122 C123 H12E 109.7 . . ?
C124 C123 H12F 109.7 . . ?
C122 C123 H12F 109.7 . . ?
H12E C123 H12F 108.2 . . ?
C123 C124 C125 110(3) . . ?
C123 C124 H12G 109.7 . . ?
C125 C124 H12G 109.7 . . ?
C123 C124 H12H 109.7 . . ?
C125 C124 H12H 109.7 . . ?
H12G C124 H12H 108.2 . . ?
C126 C125 C124 109(3) . . ?
C126 C125 H12I 109.8 . . ?
C124 C125 H12I 109.8 . . ?
C126 C125 H12J 109.8 . . ?
C124 C125 H12J 109.8 . . ?
H12I C125 H12J 108.3 . . ?
C121 C126 C125 114(2) . . ?
C121 C126 H12K 108.8 . . ?
C125 C126 H12K 108.8 . . ?
C121 C126 H12L 108.8 . . ?
C125 C126 H12L 108.8 . . ?
H12K C126 H12L 107.7 . . ?
C132 C131 C136 111(3) . . ?
C132 C131 S13 109(2) . . ?
C136 C131 S13 110(2) . . ?
C132 C131 H131 109.0 . . ?
C136 C131 H131 109.0 . . ?
S13 C131 H131 109.0 . . ?
C131 C132 C133 110(3) . . ?
C131 C132 H13C 109.8 . . ?
C133 C132 H13C 109.8 . . ?
C131 C132 H13D 109.8 . . ?
C133 C132 H13D 109.8 . . ?
H13C C132 H13D 108.2 . . ?
C134 C133 C132 113(3) . . ?
C134 C133 H13E 109.0 . . ?
C132 C133 H13E 109.0 . . ?
C134 C133 H13F 109.0 . . ?
C132 C133 H13F 109.0 . . ?
H13E C133 H13F 107.8 . . ?
C135 C134 C133 109(3) . . ?
C135 C134 H13G 109.9 . . ?
C133 C134 H13G 109.9 . . ?
C135 C134 H13H 109.9 . . ?
C133 C134 H13H 109.9 . . ?
H13G C134 H13H 108.3 . . ?
C134 C135 C136 117(3) . . ?
C134 C135 H13I 108.0 . . ?
C136 C135 H13I 108.0 . . ?
C134 C135 H13J 108.0 . . ?
C136 C135 H13J 108.0 . . ?
H13I C135 H13J 107.2 . . ?
C135 C136 C131 108(3) . . ?
C135 C136 H13K 110.0 . . ?
C131 C136 H13K 110.0 . . ?
C135 C136 H13L 110.0 . . ?
C131 C136 H13L 110.0 . . ?
H13K C136 H13L 108.4 . . ?
C142 C141 C146 108(3) . . ?
C142 C141 S14 108(2) . . ?
C146 C141 S14 105(2) . . ?
C142 C141 H141 111.7 . . ?
C146 C141 H141 111.7 . . ?
S14 C141 H141 111.7 . . ?
C141 C142 C143 111(3) . . ?
C141 C142 H14C 109.5 . . ?
C143 C142 H14C 109.5 . . ?
C141 C142 H14D 109.5 . . ?
C143 C142 H14D 109.5 . . ?
H14C C142 H14D 108.1 . . ?
C144 C143 C142 112(3) . . ?
C144 C143 H14E 109.3 . . ?
C142 C143 H14E 109.3 . . ?
C144 C143 H14F 109.3 . . ?
C142 C143 H14F 109.3 . . ?
H14E C143 H14F 108.0 . . ?
C143 C144 C145 114(3) . . ?
C143 C144 H14G 108.8 . . ?
C145 C144 H14G 108.8 . . ?
C143 C144 H14H 108.8 . . ?
C145 C144 H14H 108.8 . . ?
H14G C144 H14H 107.7 . . ?
C144 C145 C146 109(3) . . ?
C144 C145 H14I 109.9 . . ?
C146 C145 H14I 109.9 . . ?
C144 C145 H14J 109.9 . . ?
C146 C145 H14J 109.9 . . ?
H14I C145 H14J 108.3 . . ?
C145 C146 C141 108(3) . . ?
C145 C146 H14K 110.2 . . ?
C141 C146 H14K 110.2 . . ?
C145 C146 H14L 110.2 . . ?
C141 C146 H14L 110.2 . . ?
H14K C146 H14L 108.5 . . ?
C156 C151 C152 120(4) . . ?
C156 C151 S15 113(3) . . ?
C152 C151 S15 103(3) . . ?
C156 C151 H151 106.9 . . ?
C152 C151 H151 106.9 . . ?
S15 C151 H151 106.9 . . ?
C153 C152 C151 103(5) . . ?
C153 C152 H15C 111.2 . . ?
C151 C152 H15C 111.2 . . ?
C153 C152 H15D 111.2 . . ?
C151 C152 H15D 111.2 . . ?
H15C C152 H15D 109.1 . . ?
C152 C153 C154 114(5) . . ?
C152 C153 H15E 108.8 . . ?
C154 C153 H15E 108.8 . . ?
C152 C153 H15F 108.8 . . ?
C154 C153 H15F 108.8 . . ?
H15E C153 H15F 107.7 . . ?
C155 C154 C153 104(5) . . ?
C155 C154 H15G 111.0 . . ?
C153 C154 H15G 111.0 . . ?
C155 C154 H15H 111.0 . . ?
C153 C154 H15H 111.0 . . ?
H15G C154 H15H 109.0 . . ?
C154 C155 C156 119(6) . . ?
C154 C155 H15I 107.6 . . ?
C156 C155 H15I 107.6 . . ?
C154 C155 H15J 107.6 . . ?
C156 C155 H15J 107.6 . . ?
H15I C155 H15J 107.1 . . ?
C151 C156 C155 106(5) . . ?
C151 C156 H15K 110.6 . . ?
C155 C156 H15K 110.6 . . ?
C151 C156 H15L 110.6 . . ?
C155 C156 H15L 110.6 . . ?
H15K C156 H15L 108.7 . . ?
C166 C161 C162 113(3) . . ?
C166 C161 S16 113(2) . . ?
C162 C161 S16 105(2) . . ?
C166 C161 H161 108.7 . . ?
C162 C161 H161 108.7 . . ?
S16 C161 H161 108.7 . . ?
C161 C162 C163 109(3) . . ?
C161 C162 H16C 109.9 . . ?
C163 C162 H16C 109.9 . . ?
C161 C162 H16D 109.9 . . ?
C163 C162 H16D 109.9 . . ?
H16C C162 H16D 108.3 . . ?
C162 C163 C164 110(3) . . ?
C162 C163 H16E 109.8 . . ?
C164 C163 H16E 109.8 . . ?
C162 C163 H16F 109.8 . . ?
C164 C163 H16F 109.8 . . ?
H16E C163 H16F 108.2 . . ?
C163 C164 C165 108(3) . . ?
C163 C164 H16G 110.1 . . ?
C165 C164 H16G 110.1 . . ?
C163 C164 H16H 110.1 . . ?
C165 C164 H16H 110.1 . . ?
H16G C164 H16H 108.4 . . ?
C166 C165 C164 106(3) . . ?
C166 C165 H16I 110.6 . . ?
C164 C165 H16I 110.6 . . ?
C166 C165 H16J 110.6 . . ?
C164 C165 H16J 110.6 . . ?
H16I C165 H16J 108.7 . . ?
C161 C166 C165 115(3) . . ?
C161 C166 H16K 108.6 . . ?
C165 C166 H16K 108.6 . . ?
C161 C166 H16L 108.6 . . ?
C165 C166 H16L 108.6 . . ?
H16K C166 H16L 107.5 . . ?
C172 C171 C176 106(4) . . ?
C172 C171 S17 106(3) . . ?
C176 C171 S17 106(3) . . ?
C172 C171 H171 112.7 . . ?
C176 C171 H171 112.7 . . ?
S17 C171 H171 112.7 . . ?
C171 C172 C173 112(4) . . ?
C171 C172 H17A 109.3 . . ?
C173 C172 H17A 109.3 . . ?
C171 C172 H17B 109.3 . . ?
C173 C172 H17B 109.3 . . ?
H17A C172 H17B 108.0 . . ?
C174 C173 C172 105(6) . . ?
C174 C173 H17C 110.7 . . ?
C172 C173 H17C 110.7 . . ?
C174 C173 H17D 110.7 . . ?
C172 C173 H17D 110.7 . . ?
H17C C173 H17D 108.8 . . ?
C175 C174 C173 109(8) . . ?
C175 C174 H17E 110.0 . . ?
C173 C174 H17E 110.0 . . ?
C175 C174 H17F 110.0 . . ?
C173 C174 H17F 110.0 . . ?
H17E C174 H17F 108.3 . . ?
C174 C175 C176 111(7) . . ?
C174 C175 H17G 109.5 . . ?
C176 C175 H17G 109.5 . . ?
C174 C175 H17H 109.5 . . ?
C176 C175 H17H 109.5 . . ?
H17G C175 H17H 108.1 . . ?
C175 C176 C171 104(4) . . ?
C175 C176 H17I 110.9 . . ?
C171 C176 H17I 110.9 . . ?
C175 C176 H17J 110.9 . . ?
C171 C176 H17J 110.9 . . ?
H17I C176 H17J 108.9 . . ?
C182 C181 C186 112(2) . . ?
C182 C181 S18 109.6(18) . . ?
C186 C181 S18 110.7(19) . . ?
C182 C181 H181 108.2 . . ?
C186 C181 H181 108.2 . . ?
S18 C181 H181 108.2 . . ?
C181 C182 C183 108(3) . . ?
C181 C182 H18A 110.2 . . ?
C183 C182 H18A 110.2 . . ?
C181 C182 H18B 110.2 . . ?
C183 C182 H18B 110.2 . . ?
H18A C182 H18B 108.5 . . ?
C184 C183 C182 116(4) . . ?
C184 C183 H18C 108.3 . . ?
C182 C183 H18C 108.3 . . ?
C184 C183 H18D 108.3 . . ?
C182 C183 H18D 108.3 . . ?
H18C C183 H18D 107.4 . . ?
C185 C184 C183 113(4) . . ?
C185 C184 H18E 108.9 . . ?
C183 C184 H18E 108.9 . . ?
C185 C184 H18F 108.9 . . ?
C183 C184 H18F 108.9 . . ?
H18E C184 H18F 107.7 . . ?
C184 C185 C186 113(3) . . ?
C184 C185 H18G 109.1 . . ?
C186 C185 H18G 109.1 . . ?
C184 C185 H18H 109.1 . . ?
C186 C185 H18H 109.1 . . ?
H18G C185 H18H 107.8 . . ?
C181 C186 C185 108(2) . . ?
C181 C186 H18I 110.1 . . ?
C185 C186 H18I 110.1 . . ?
C181 C186 H18J 110.1 . . ?
C185 C186 H18J 110.1 . . ?
H18I C186 H18J 108.4 . . ?
C192 C191 C196 108(4) . . ?
C192 C191 S19 108(3) . . ?
C196 C191 S19 105(3) . . ?
C192 C191 H191 111.6 . . ?
C196 C191 H191 111.6 . . ?
S19 C191 H191 111.6 . . ?
C191 C192 C193 111(4) . . ?
C191 C192 H19A 109.5 . . ?
C193 C192 H19A 109.5 . . ?
C191 C192 H19B 109.5 . . ?
C193 C192 H19B 109.5 . . ?
H19A C192 H19B 108.1 . . ?
C194 C193 C192 104(4) . . ?
C194 C193 H19C 111.0 . . ?
C192 C193 H19C 111.0 . . ?
C194 C193 H19D 111.0 . . ?
C192 C193 H19D 111.0 . . ?
H19C C193 H19D 109.0 . . ?
C195 C194 C193 113(4) . . ?
C195 C194 H19E 109.1 . . ?
C193 C194 H19E 109.1 . . ?
C195 C194 H19F 109.1 . . ?
C193 C194 H19F 109.1 . . ?
H19E C194 H19F 107.8 . . ?
C194 C195 C196 111(4) . . ?
C194 C195 H19G 109.5 . . ?
C196 C195 H19G 109.5 . . ?
C194 C195 H19H 109.5 . . ?
C196 C195 H19H 109.5 . . ?
H19G C195 H19H 108.1 . . ?
C191 C196 C195 113(4) . . ?
C191 C196 H19I 109.1 . . ?
C195 C196 H19I 109.1 . . ?
C191 C196 H19J 109.1 . . ?
C195 C196 H19J 109.1 . . ?
H19I C196 H19J 107.8 . . ?
C202 C201 C206 107(3) . . ?
C202 C201 S20 109(3) . . ?
C206 C201 S20 110(3) . . ?
C202 C201 H201 110.4 . . ?
C206 C201 H201 110.4 . . ?
S20 C201 H201 110.4 . . ?
C201 C202 C203 118(4) . . ?
C201 C202 H20A 107.7 . . ?
C203 C202 H20A 107.7 . . ?
C201 C202 H20B 107.7 . . ?
C203 C202 H20B 107.7 . . ?
H20A C202 H20B 107.1 . . ?
C204 C203 C202 108(7) . . ?
C204 C203 H20C 110.2 . . ?
C202 C203 H20C 110.2 . . ?
C204 C203 H20D 110.2 . . ?
C202 C203 H20D 110.2 . . ?
H20C C203 H20D 108.5 . . ?
C203 C204 C205 119(8) . . ?
C203 C204 H20E 107.6 . . ?
C205 C204 H20E 107.6 . . ?
C203 C204 H20F 107.6 . . ?
C205 C204 H20F 107.6 . . ?
H20E C204 H20F 107.1 . . ?
C206 C205 C204 110(5) . . ?
C206 C205 H20G 109.6 . . ?
C204 C205 H20G 109.6 . . ?
C206 C205 H20H 109.6 . . ?
C204 C205 H20H 109.6 . . ?
H20G C205 H20H 108.2 . . ?
C205 C206 C201 111(4) . . ?
C205 C206 H20I 109.4 . . ?
C201 C206 H20I 109.4 . . ?
C205 C206 H20J 109.4 . . ?
C201 C206 H20J 109.4 . . ?
H20I C206 H20J 108.0 . . ?
C212 C211 C216 109(3) . . ?
C212 C211 S21 117(2) . . ?
C216 C211 S21 109(2) . . ?
C212 C211 H211 107.3 . . ?
C216 C211 H211 107.3 . . ?
S21 C211 H211 107.3 . . ?
C211 C212 C213 112(3) . . ?
C211 C212 H21A 109.3 . . ?
C213 C212 H21A 109.3 . . ?
C211 C212 H21B 109.3 . . ?
C213 C212 H21B 109.3 . . ?
H21A C212 H21B 107.9 . . ?
C214 C213 C212 106(3) . . ?
C214 C213 H21C 110.6 . . ?
C212 C213 H21C 110.6 . . ?
C214 C213 H21D 110.6 . . ?
C212 C213 H21D 110.6 . . ?
H21C C213 H21D 108.8 . . ?
C215 C214 C213 111(4) . . ?
C215 C214 H21E 109.4 . . ?
C213 C214 H21E 109.4 . . ?
C215 C214 H21F 109.4 . . ?
C213 C214 H21F 109.4 . . ?
H21E C214 H21F 108.0 . . ?
C216 C215 C214 114(3) . . ?
C216 C215 H21G 108.9 . . ?
C214 C215 H21G 108.9 . . ?
C216 C215 H21H 108.9 . . ?
C214 C215 H21H 108.9 . . ?
H21G C215 H21H 107.7 . . ?
C215 C216 C211 108(3) . . ?
C215 C216 H21I 110.1 . . ?
C211 C216 H21I 110.1 . . ?
C215 C216 H21J 110.1 . . ?
C211 C216 H21J 110.1 . . ?
H21I C216 H21J 108.4 . . ?
C222 C221 C226 115(3) . . ?
C222 C221 S22 110(2) . . ?
C226 C221 S22 109(2) . . ?
C222 C221 H221 107.8 . . ?
C226 C221 H221 107.8 . . ?
S22 C221 H221 107.8 . . ?
C221 C222 C223 108(2) . . ?
C221 C222 H22C 110.1 . . ?
C223 C222 H22C 110.1 . . ?
C221 C222 H22D 110.1 . . ?
C223 C222 H22D 110.1 . . ?
H22C C222 H22D 108.4 . . ?
C224 C223 C222 111(3) . . ?
C224 C223 H22E 109.5 . . ?
C222 C223 H22E 109.5 . . ?
C224 C223 H22F 109.5 . . ?
C222 C223 H22F 109.5 . . ?
H22E C223 H22F 108.1 . . ?
C225 C224 C223 116(3) . . ?
C225 C224 H22G 108.4 . . ?
C223 C224 H22G 108.4 . . ?
C225 C224 H22H 108.4 . . ?
C223 C224 H22H 108.4 . . ?
H22G C224 H22H 107.5 . . ?
C224 C225 C226 112(3) . . ?
C224 C225 H22I 109.2 . . ?
C226 C225 H22I 109.2 . . ?
C224 C225 H22J 109.2 . . ?
C226 C225 H22J 109.2 . . ?
H22I C225 H22J 107.9 . . ?
C225 C226 C221 108(2) . . ?
C225 C226 H22K 110.0 . . ?
C221 C226 H22K 110.0 . . ?
C225 C226 H22L 110.0 . . ?
C221 C226 H22L 110.0 . . ?
H22K C226 H22L 108.4 . . ?
C236 C231 C232 113(3) . . ?
C236 C231 S23 110(2) . . ?
C232 C231 S23 105(2) . . ?
C236 C231 H231 109.5 . . ?
C232 C231 H231 109.5 . . ?
S23 C231 H231 109.5 . . ?
C231 C232 C233 107(2) . . ?
C231 C232 H23C 110.3 . . ?
C233 C232 H23C 110.3 . . ?
C231 C232 H23D 110.3 . . ?
C233 C232 H23D 110.3 . . ?
H23C C232 H23D 108.5 . . ?
C234 C233 C232 112(2) . . ?
C234 C233 H23E 109.2 . . ?
C232 C233 H23E 109.2 . . ?
C234 C233 H23F 109.2 . . ?
C232 C233 H23F 109.2 . . ?
H23E C233 H23F 107.9 . . ?
C235 C234 C233 113(3) . . ?
C235 C234 H23G 109.0 . . ?
C233 C234 H23G 109.0 . . ?
C235 C234 H23H 109.0 . . ?
C233 C234 H23H 109.0 . . ?
H23G C234 H23H 107.8 . . ?
C234 C235 C236 107(2) . . ?
C234 C235 H23I 110.2 . . ?
C236 C235 H23I 110.2 . . ?
C234 C235 H23J 110.2 . . ?
C236 C235 H23J 110.2 . . ?
H23I C235 H23J 108.5 . . ?
C231 C236 C235 112(2) . . ?
C231 C236 H23K 109.2 . . ?
C235 C236 H23K 109.2 . . ?
C231 C236 H23L 109.2 . . ?
C235 C236 H23L 109.2 . . ?
H23K C236 H23L 107.9 . . ?
C42B C241 C46B 110(4) . . ?
C246 C241 C242 123(5) . . ?
C246 C241 S24 119(4) . . ?
C42B C241 S24 117(4) . . ?
C46B C241 S24 106(3) . . ?
C242 C241 S24 101(3) . . ?
C243 C242 C241 100(4) . . ?
C244 C243 C242 122(5) . . ?
C241 C42B C43B 117(5) . . ?
C42B C43B C244 108(5) . . ?
C45B C244 C43B 132(6) . . ?
C243 C244 C245 111(4) . . ?
C246 C245 C244 103(4) . . ?
C241 C246 C245 115(5) . . ?
C244 C45B C46B 120(7) . . ?
C45B C46B C241 106(5) . . ?
C256 C251 C252 111(3) . . ?
C256 C251 S25 115(2) . . ?
C252 C251 S25 108.5(19) . . ?
C256 C251 H251 107.7 . . ?
C252 C251 H251 107.7 . . ?
S25 C251 H251 107.7 . . ?
C253 C252 C251 113(3) . . ?
C253 C252 H25C 109.1 . . ?
C251 C252 H25C 109.1 . . ?
C253 C252 H25D 109.1 . . ?
C251 C252 H25D 109.1 . . ?
H25C C252 H25D 107.8 . . ?
C254 C253 C252 108(3) . . ?
C254 C253 H25E 110.2 . . ?
C252 C253 H25E 110.2 . . ?
C254 C253 H25F 110.2 . . ?
C252 C253 H25F 110.2 . . ?
H25E C253 H25F 108.5 . . ?
C253 C254 C255 114(3) . . ?
C253 C254 H25G 108.7 . . ?
C255 C254 H25G 108.7 . . ?
C253 C254 H25H 108.7 . . ?
C255 C254 H25H 108.7 . . ?
H25G C254 H25H 107.6 . . ?
C256 C255 C254 109(3) . . ?
C256 C255 H25I 109.8 . . ?
C254 C255 H25I 109.8 . . ?
C256 C255 H25J 109.8 . . ?
C254 C255 H25J 109.8 . . ?
H25I C255 H25J 108.3 . . ?
C251 C256 C255 111(3) . . ?
C251 C256 H25K 109.4 . . ?
C255 C256 H25K 109.4 . . ?
C251 C256 H25L 109.4 . . ?
C255 C256 H25L 109.4 . . ?
H25K C256 H25L 108.0 . . ?
C262 C261 C266 110(3) . . ?
C262 C261 S26 114(2) . . ?
C266 C261 S26 110(2) . . ?
C262 C261 H261 107.8 . . ?
C266 C261 H261 107.8 . . ?
S26 C261 H261 107.8 . . ?
C261 C262 C263 111(4) . . ?
C261 C262 H26C 109.5 . . ?
C263 C262 H26C 109.5 . . ?
C261 C262 H26D 109.5 . . ?
C263 C262 H26D 109.5 . . ?
H26C C262 H26D 108.1 . . ?
C262 C263 C264 112(3) . . ?
C262 C263 H26E 109.3 . . ?
C264 C263 H26E 109.3 . . ?
C262 C263 H26F 109.3 . . ?
C264 C263 H26F 109.3 . . ?
H26E C263 H26F 108.0 . . ?
C263 C264 C265 107(3) . . ?
C263 C264 H26G 110.4 . . ?
C265 C264 H26G 110.4 . . ?
C263 C264 H26H 110.4 . . ?
C265 C264 H26H 110.4 . . ?
H26G C264 H26H 108.6 . . ?
C266 C265 C264 106(4) . . ?
C266 C265 H26I 110.6 . . ?
C264 C265 H26I 110.6 . . ?
C266 C265 H26J 110.6 . . ?
C264 C265 H26J 110.6 . . ?
H26I C265 H26J 108.7 . . ?
C265 C266 C261 110(3) . . ?
C265 C266 H26K 109.7 . . ?
C261 C266 H26K 109.7 . . ?
C265 C266 H26L 109.7 . . ?
C261 C266 H26L 109.7 . . ?
H26K C266 H26L 108.2 . . ?
C272 C271 C276 112(3) . . ?
C272 C271 S27 110(2) . . ?
C276 C271 S27 112(2) . . ?
C272 C271 H271 107.6 . . ?
C276 C271 H271 107.6 . . ?
S27 C271 H271 107.6 . . ?
C273 C272 C271 111(3) . . ?
C273 C272 H27A 109.5 . . ?
C271 C272 H27A 109.5 . . ?
C273 C272 H27B 109.5 . . ?
C271 C272 H27B 109.5 . . ?
H27A C272 H27B 108.1 . . ?
C274 C273 C272 112(4) . . ?
C274 C273 H27C 109.3 . . ?
C272 C273 H27C 109.3 . . ?
C274 C273 H27D 109.3 . . ?
C272 C273 H27D 109.3 . . ?
H27C C273 H27D 108.0 . . ?
C273 C274 C275 111(4) . . ?
C273 C274 H27E 109.4 . . ?
C275 C274 H27E 109.4 . . ?
C273 C274 H27F 109.4 . . ?
C275 C274 H27F 109.4 . . ?
H27E C274 H27F 108.0 . . ?
C274 C275 C276 109(4) . . ?
C274 C275 H27G 110.0 . . ?
C276 C275 H27G 110.0 . . ?
C274 C275 H27H 110.0 . . ?
C276 C275 H27H 110.0 . . ?
H27G C275 H27H 108.3 . . ?
C271 C276 C275 112(4) . . ?
C271 C276 H27I 109.2 . . ?
C275 C276 H27I 109.2 . . ?
C271 C276 H27J 109.2 . . ?
C275 C276 H27J 109.2 . . ?
H27I C276 H27J 107.9 . . ?
C286 C281 C282 114(2) . . ?
C286 C281 S28 116(2) . . ?
C282 C281 S28 110.6(19) . . ?
C286 C281 H281 105.1 . . ?
C282 C281 H281 105.1 . . ?
S28 C281 H281 105.1 . . ?
C283 C282 C281 113(3) . . ?
C283 C282 H28A 109.1 . . ?
C281 C282 H28A 109.1 . . ?
C283 C282 H28B 109.1 . . ?
C281 C282 H28B 109.1 . . ?
H28A C282 H28B 107.8 . . ?
C282 C283 C284 112(4) . . ?
C282 C283 H28C 109.3 . . ?
C284 C283 H28C 109.3 . . ?
C282 C283 H28D 109.3 . . ?
C284 C283 H28D 109.3 . . ?
H28C C283 H28D 108.0 . . ?
C285 C284 C283 114(4) . . ?
C285 C284 H28E 108.7 . . ?
C283 C284 H28E 108.7 . . ?
C285 C284 H28F 108.7 . . ?
C283 C284 H28F 108.7 . . ?
H28E C284 H28F 107.6 . . ?
C286 C285 C284 110(3) . . ?
C286 C285 H28G 109.6 . . ?
C284 C285 H28G 109.6 . . ?
C286 C285 H28H 109.6 . . ?
C284 C285 H28H 109.6 . . ?
H28G C285 H28H 108.1 . . ?
C285 C286 C281 114(3) . . ?
C285 C286 H28I 108.7 . . ?
C281 C286 H28I 108.7 . . ?
C285 C286 H28J 108.7 . . ?
C281 C286 H28J 108.7 . . ?
H28I C286 H28J 107.6 . . ?
C292 C291 C296 104(3) . . ?
C292 C291 S29 111(3) . . ?
C296 C291 S29 111(2) . . ?
C292 C291 H291 110.3 . . ?
C296 C291 H291 110.3 . . ?
S29 C291 H291 110.3 . . ?
C291 C292 C293 116(3) . . ?
C291 C292 H29A 108.3 . . ?
C293 C292 H29A 108.3 . . ?
C291 C292 H29B 108.3 . . ?
C293 C292 H29B 108.3 . . ?
H29A C292 H29B 107.4 . . ?
C292 C293 C294 109(3) . . ?
C292 C293 H29C 109.8 . . ?
C294 C293 H29C 109.8 . . ?
C292 C293 H29D 109.8 . . ?
C294 C293 H29D 109.8 . . ?
H29C C293 H29D 108.2 . . ?
C295 C294 C293 112(3) . . ?
C295 C294 H29E 109.2 . . ?
C293 C294 H29E 109.2 . . ?
C295 C294 H29F 109.2 . . ?
C293 C294 H29F 109.2 . . ?
H29E C294 H29F 107.9 . . ?
C296 C295 C294 109(3) . . ?
C296 C295 H29G 110.0 . . ?
C294 C295 H29G 110.0 . . ?
C296 C295 H29H 110.0 . . ?
C294 C295 H29H 110.0 . . ?
H29G C295 H29H 108.3 . . ?
C295 C296 C291 117(3) . . ?
C295 C296 H29I 108.1 . . ?
C291 C296 H29I 108.1 . . ?
C295 C296 H29J 108.1 . . ?
C291 C296 H29J 108.1 . . ?
H29I C296 H29J 107.3 . . ?
C302 C301 C306 104(5) . . ?
C302 C301 S30 113(4) . . ?
C306 C301 S30 109(4) . . ?
C302 C301 H301 110.2 . . ?
C306 C301 H301 110.2 . . ?
S30 C301 H301 110.2 . . ?
C301 C302 C303 112(5) . . ?
C301 C302 H30A 109.2 . . ?
C303 C302 H30A 109.2 . . ?
C301 C302 H30B 109.2 . . ?
C303 C302 H30B 109.2 . . ?
H30A C302 H30B 107.9 . . ?
C304 C303 C302 109(4) . . ?
C304 C303 H30C 110.0 . . ?
C302 C303 H30C 110.0 . . ?
C304 C303 H30D 110.0 . . ?
C302 C303 H30D 110.0 . . ?
H30C C303 H30D 108.3 . . ?
C303 C304 C305 106(5) . . ?
C303 C304 H30E 110.6 . . ?
C305 C304 H30E 110.6 . . ?
C303 C304 H30F 110.6 . . ?
C305 C304 H30F 110.6 . . ?
H30E C304 H30F 108.8 . . ?
C304 C305 C306 111(5) . . ?
C304 C305 H30G 109.5 . . ?
C306 C305 H30G 109.5 . . ?
C304 C305 H30H 109.5 . . ?
C306 C305 H30H 109.5 . . ?
H30G C305 H30H 108.1 . . ?
C301 C306 C305 110(4) . . ?
C301 C306 H30I 109.7 . . ?
C305 C306 H30I 109.7 . . ?
C301 C306 H30J 109.7 . . ?
C305 C306 H30J 109.7 . . ?
H30I C306 H30J 108.2 . . ?
C312 C311 C316 109(3) . . ?
C312 C311 S31 115(2) . . ?
C316 C311 S31 112(2) . . ?
C312 C311 H311 106.9 . . ?
C316 C311 H311 106.9 . . ?
S31 C311 H311 106.9 . . ?
C311 C312 C313 115(3) . . ?
C311 C312 H31A 108.6 . . ?
C313 C312 H31A 108.6 . . ?
C311 C312 H31B 108.6 . . ?
C313 C312 H31B 108.6 . . ?
H31A C312 H31B 107.6 . . ?
C314 C313 C312 109(3) . . ?
C314 C313 H31C 110.0 . . ?
C312 C313 H31C 110.0 . . ?
C314 C313 H31D 110.0 . . ?
C312 C313 H31D 110.0 . . ?
H31C C313 H31D 108.3 . . ?
C313 C314 C315 120(3) . . ?
C313 C314 H31E 107.4 . . ?
C315 C314 H31E 107.4 . . ?
C313 C314 H31F 107.4 . . ?
C315 C314 H31F 107.4 . . ?
H31E C314 H31F 106.9 . . ?
C314 C315 C316 104(3) . . ?
C314 C315 H31G 111.0 . . ?
C316 C315 H31G 111.0 . . ?
C314 C315 H31H 111.0 . . ?
C316 C315 H31H 111.0 . . ?
H31G C315 H31H 109.0 . . ?
C315 C316 C311 114(3) . . ?
C315 C316 H31I 108.8 . . ?
C311 C316 H31I 108.8 . . ?
C315 C316 H31J 108.8 . . ?
C311 C316 H31J 108.8 . . ?
H31I C316 H31J 107.7 . . ?
C322 C321 C326 111(2) . . ?
C322 C321 S32 114(2) . . ?
C326 C321 S32 113.9(18) . . ?
C322 C321 H321 105.9 . . ?
C326 C321 H321 105.9 . . ?
S32 C321 H321 105.9 . . ?
C323 C322 C321 116(3) . . ?
C323 C322 H32C 108.3 . . ?
C321 C322 H32C 108.3 . . ?
C323 C322 H32D 108.3 . . ?
C321 C322 H32D 108.3 . . ?
H32C C322 H32D 107.4 . . ?
C322 C323 C324 112(3) . . ?
C322 C323 H32E 109.3 . . ?
C324 C323 H32E 109.3 . . ?
C322 C323 H32F 109.3 . . ?
C324 C323 H32F 109.3 . . ?
H32E C323 H32F 108.0 . . ?
C325 C324 C323 110(3) . . ?
C325 C324 H32G 109.6 . . ?
C323 C324 H32G 109.6 . . ?
C325 C324 H32H 109.6 . . ?
C323 C324 H32H 109.6 . . ?
H32G C324 H32H 108.1 . . ?
C324 C325 C326 112(3) . . ?
C324 C325 H32I 109.2 . . ?
C326 C325 H32I 109.2 . . ?
C324 C325 H32J 109.2 . . ?
C326 C325 H32J 109.2 . . ?
H32I C325 H32J 107.9 . . ?
C325 C326 C321 113(3) . . ?
C325 C326 H32K 109.0 . . ?
C321 C326 H32K 109.0 . . ?
C325 C326 H32L 109.0 . . ?
C321 C326 H32L 109.0 . . ?
H32K C326 H32L 107.8 . . ?
C332 C331 C336 110(3) . . ?
C332 C331 S33 112(2) . . ?
C336 C331 S33 110(2) . . ?
C332 C331 H331 108.2 . . ?
C336 C331 H331 108.2 . . ?
S33 C331 H331 108.2 . . ?
C333 C332 C331 110(3) . . ?
C333 C332 H33C 109.6 . . ?
C331 C332 H33C 109.6 . . ?
C333 C332 H33D 109.6 . . ?
C331 C332 H33D 109.6 . . ?
H33C C332 H33D 108.1 . . ?
C334 C333 C332 115(3) . . ?
C334 C333 H33E 108.6 . . ?
C332 C333 H33E 108.6 . . ?
C334 C333 H33F 108.6 . . ?
C332 C333 H33F 108.6 . . ?
H33E C333 H33F 107.5 . . ?
C333 C334 C335 119(3) . . ?
C333 C334 H33G 107.6 . . ?
C335 C334 H33G 107.6 . . ?
C333 C334 H33H 107.6 . . ?
C335 C334 H33H 107.6 . . ?
H33G C334 H33H 107.1 . . ?
C334 C335 C336 108(3) . . ?
C334 C335 H33I 110.1 . . ?
C336 C335 H33I 110.1 . . ?
C334 C335 H33J 110.1 . . ?
C336 C335 H33J 110.1 . . ?
H33I C335 H33J 108.4 . . ?
C335 C336 C331 112(3) . . ?
C335 C336 H33K 109.3 . . ?
C331 C336 H33K 109.3 . . ?
C335 C336 H33L 109.3 . . ?
C331 C336 H33L 109.3 . . ?
H33K C336 H33L 107.9 . . ?
C342 C341 C346 120(4) . . ?
C342 C341 S34 115(3) . . ?
C346 C341 S34 105(3) . . ?
C342 C341 H341 105.5 . . ?
C346 C341 H341 105.5 . . ?
S34 C341 H341 105.5 . . ?
C341 C342 C343 110(4) . . ?
C341 C342 H34A 109.6 . . ?
C343 C342 H34A 109.6 . . ?
C341 C342 H34B 109.6 . . ?
C343 C342 H34B 109.6 . . ?
H34A C342 H34B 108.2 . . ?
C344 C343 C342 111(4) . . ?
C344 C343 H34C 109.5 . . ?
C342 C343 H34C 109.5 . . ?
C344 C343 H34D 109.5 . . ?
C342 C343 H34D 109.5 . . ?
H34C C343 H34D 108.1 . . ?
C343 C344 C345 116(4) . . ?
C343 C344 H34E 108.2 . . ?
C345 C344 H34E 108.2 . . ?
C343 C344 H34F 108.2 . . ?
C345 C344 H34F 108.2 . . ?
H34E C344 H34F 107.4 . . ?
C344 C345 C346 109(3) . . ?
C344 C345 H34G 109.9 . . ?
C346 C345 H34G 109.9 . . ?
C344 C345 H34H 109.9 . . ?
C346 C345 H34H 109.9 . . ?
H34G C345 H34H 108.3 . . ?
C341 C346 C345 106(3) . . ?
C341 C346 H34I 110.5 . . ?
C345 C346 H34I 110.5 . . ?
C341 C346 H34J 110.5 . . ?
C345 C346 H34J 110.5 . . ?
H34I C346 H34J 108.7 . . ?
C356 C351 C352 112(3) . . ?
C356 C351 S35 107(2) . . ?
C352 C351 S35 107.8(19) . . ?
C356 C351 H351 109.9 . . ?
C352 C351 H351 109.9 . . ?
S35 C351 H351 109.9 . . ?
C353 C352 C351 108(3) . . ?
C353 C352 H35C 110.0 . . ?
C351 C352 H35C 110.0 . . ?
C353 C352 H35D 110.0 . . ?
C351 C352 H35D 110.0 . . ?
H35C C352 H35D 108.4 . . ?
C352 C353 C354 112(4) . . ?
C352 C353 H35E 109.3 . . ?
C354 C353 H35E 109.3 . . ?
C352 C353 H35F 109.3 . . ?
C354 C353 H35F 109.3 . . ?
H35E C353 H35F 107.9 . . ?
C353 C354 C355 111(4) . . ?
C353 C354 H35G 109.4 . . ?
C355 C354 H35G 109.4 . . ?
C353 C354 H35H 109.4 . . ?
C355 C354 H35H 109.4 . . ?
H35G C354 H35H 108.0 . . ?
C354 C355 C356 107(4) . . ?
C354 C355 H35I 110.3 . . ?
C356 C355 H35I 110.3 . . ?
C354 C355 H35J 110.3 . . ?
C356 C355 H35J 110.3 . . ?
H35I C355 H35J 108.6 . . ?
C351 C356 C355 108(3) . . ?
C351 C356 H35K 110.0 . . ?
C355 C356 H35K 110.0 . . ?
C351 C356 H35L 110.0 . . ?
C355 C356 H35L 110.0 . . ?
H35K C356 H35L 108.4 . . ?
C362 C361 C366 110(3) . . ?
C362 C361 S36 113(2) . . ?
C366 C361 S36 108(2) . . ?
C362 C361 H361 108.7 . . ?
C366 C361 H361 108.7 . . ?
S36 C361 H361 108.7 . . ?
C361 C362 C363 112(3) . . ?
C361 C362 H36C 109.3 . . ?
C363 C362 H36C 109.3 . . ?
C361 C362 H36D 109.3 . . ?
C363 C362 H36D 109.3 . . ?
H36C C362 H36D 107.9 . . ?
C364 C363 C362 109(4) . . ?
C364 C363 H36E 110.0 . . ?
C362 C363 H36E 110.0 . . ?
C364 C363 H36F 110.0 . . ?
C362 C363 H36F 110.0 . . ?
H36E C363 H36F 108.4 . . ?
C363 C364 C365 116(4) . . ?
C363 C364 H36G 108.4 . . ?
C365 C364 H36G 108.4 . . ?
C363 C364 H36H 108.4 . . ?
C365 C364 H36H 108.4 . . ?
H36G C364 H36H 107.5 . . ?
C364 C365 C366 109(4) . . ?
C364 C365 H36I 109.8 . . ?
C366 C365 H36I 109.8 . . ?
C364 C365 H36J 109.8 . . ?
C366 C365 H36J 109.8 . . ?
H36I C365 H36J 108.3 . . ?
C361 C366 C365 112(3) . . ?
C361 C366 H36K 109.2 . . ?
C365 C366 H36K 109.2 . . ?
C361 C366 H36L 109.2 . . ?
C365 C366 H36L 109.2 . . ?
H36K C366 H36L 107.9 . . ?
# SQUEEZE RESULTS (APPEND TO CIF)
# Note: Data are Listed for all Voids in the P1 Unit Cell
# i.e. Centre of Gravity, Solvent Accessible Volume,
# Recovered number of Electrons in the Void and
# Details about the Squeezed Material
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.000 0.000 0.000 1028 527 ' '
2 0.000 0.000 0.500 1292 538 ' '
3 0.781 0.146 0.315 9 5 ' '
4 0.536 0.271 0.828 7 1 ' '
5 0.426 0.279 0.067 10 4 ' '
6 0.726 0.291 0.138 11 4 ' '
7 0.676 0.305 0.658 17 8 ' '
8 0.353 0.451 0.326 101 34 ' '
9 0.728 0.368 0.694 8 2 ' '
10 0.683 0.430 0.134 24 12 ' '
11 0.647 0.549 0.674 101 44 ' '
12 0.317 0.570 0.866 24 11 ' '
13 0.274 0.636 0.308 8 3 ' '
14 0.326 0.697 0.343 17 9 ' '
15 0.274 0.709 0.862 11 3 ' '
16 0.574 0.721 0.933 10 5 ' '
17 0.464 0.729 0.172 7 2 ' '
18 0.219 0.854 0.685 9 3 ' '
_platon_squeeze_details          
;
;
_refine_diff_density_max         11.401
_refine_diff_density_min         -4.571
_refine_diff_density_rms         0.558
